A0A087WSP5_MOUSE Loading...

Signal transducer and activator of transcription

AlphaFold DB , UniProt , Accession A0A087WSP5, Species MOUSE (Mus musculus, Mouse), Gene Stat1, Length 755 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
1M60.8Low84.9Confident186 Ų18668.2 Ų68.292%0.91633%0.331SS*.  0149.70-80174.3-84.200107.1F5M1-F5 HydrophobicContact CB-CD1 4.38Å; M1-F5 HydrophobicContact CG-CD1 4.28Å; M1-F5 HydrophobicContact SD-CD1 3.83Å; M1-F5 HydrophobicContact SD-CE1 3.8Å
2S87.3Confident84Confident23 Ų2370.3 Ų70.316%0.16136%0.359CS..  trans-73.5148.5175.648.90000110W4 F5 E6 E39S2-W4 PolarHBondContact O-N 3.41Å; S2-F5 WeakPolarHBondContact O-CB 3.5Å; S2-F5 PolarHBondContact O-N 2.82Å; S2-E6 PolarHBondContact O-N 3.47Å; S2-E39 WeakPolarHBondContact CA-OE2 3.45Å; S2-E39 VanDerWaalsContact CB-OE2 3.25Å; S2-E39 WeakPolarHBondContact CB-OE2 3.48Å
3Q90.9Very high83.4Confident26 Ų2675.1 Ų75.112%0.12138%0.375CS..Hα-helixtrans-52.8-37.4173.1-177-175.6-1.200111.1F5 E6 L7 E39 L109 L116Q3-F5 VanDerWaalsContact C-N 3.28Å; Q3-F5 PolarHBondContact O-N 2.96Å; Q3-E6 PolarHBondContact O-N 3.07Å; Q3-L7 PolarHBondContact O-N 3.3Å; Q3-L7 VanDerWaalsContact O-N 3.07Å; Q3-E39 HydrophobicContact CB-CG 4.26Å; Q3-E39 VanDerWaalsContact N-CD 3.35Å; Q3-E39 PolarHBondContact N-OE1 3.42Å; Q3-E39 PolarHBondContact N-OE2 2.93Å; Q3-L109 PolarHBondContact NE2-O 3.32Å; Q3-L116 HydrophobicContact CG-CD1 3.72Å
4W91.9Very high83.3Confident11 Ų1170.9 Ų70.94%0.04235%0.353CS..Hα-helixtrans-57.8-38175.5-168-116.4000114S2 L7 Q8 V18 Y22 M28 R31 Q32 A35 E39 E112S2-W4 PolarHBondContact O-N 3.41Å; W4-L7 HydrophobicContact CE3-CD1 4.02Å; W4-L7 HydrophobicContact CZ3-CD1 4.37Å; W4-Q8 WeakPolarHBondContact O-CG 3.41Å; W4-Q8 PolarHBondContact O-N 2.9Å; W4-V18 HydrophobicContact CH2-CG1 4.17Å; W4-V18 HydrophobicContact CZ3-CG1 3.94Å; W4-Y22 HydrophobicContact CH2-CE2 4.08Å; W4-Y22 AromaticContact CZ3-CE2 3.82Å; W4-Y22 HydrophobicContact CZ3-CE2 3.82Å; W4-M28 HydrophobicContact CH2-CE 3.41Å; W4-M28 VanDerWaalsContact CH2-CE 3.41Å; W4-M28 HydrophobicContact CH2-CG 3.7Å; W4-M28 HydrophobicContact CH2-SD 4.25Å; W4-M28 HydrophobicContact CZ2-CE 3.45Å; W4-M28 VanDerWaalsContact CZ2-CE 3.45Å; W4-M28 HydrophobicContact CZ2-CG 3.95Å; W4-R31 HydrophobicContact CD2-CG 4.25Å; W4-R31 HydrophobicContact CE3-CG 3.7Å; W4-R31 HydrophobicContact CH2-CG 3.94Å; W4-R31 HydrophobicContact CZ2-CG 4.47Å; W4-R31 HydrophobicContact CZ3-CG 3.55Å; W4-Q32 HydrophobicContact CZ2-CB 4.02Å; W4-A35 HydrophobicContact CB-CB 3.8Å; W4-A35 HydrophobicContact CG-CB 4.25Å; W4-E39 PolarHBondContact N-OE1 3.39Å; W4-E39 VanDerWaalsContact N-OE1 3.13Å; W4-E112 VanDerWaalsContact CZ3-OE1 3.27Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.42Å
5F89.9Confident83.3Confident87 Ų8769.7 Ų69.738%0.38235%0.348SS..Hα-helixtrans-71.4-39.2-179.9179.8-97.6000110.7M1 S2 Q3 L7 Q8 Q9M1-F5 HydrophobicContact CB-CD1 4.38Å; M1-F5 HydrophobicContact CG-CD1 4.28Å; M1-F5 HydrophobicContact SD-CD1 3.83Å; M1-F5 HydrophobicContact SD-CE1 3.8Å; S2-F5 WeakPolarHBondContact O-CB 3.5Å; S2-F5 PolarHBondContact O-N 2.82Å; Q3-F5 VanDerWaalsContact C-N 3.28Å; Q3-F5 PolarHBondContact O-N 2.96Å; F5-L7 VanDerWaalsContact C-N 3.33Å; F5-L7 PolarHBondContact O-N 2.62Å; F5-Q8 PolarHBondContact O-N 3.48Å; F5-Q9 HydrophobicContact CE1-CG 4.14Å; F5-Q9 HydrophobicContact CZ-CG 4.42Å; F5-Q9 WeakPolarHBondContact O-CG 3.38Å; F5-Q9 PolarHBondContact O-N 2.94Å
6E88.4Confident83.1Confident85 Ų8571.9 Ų71.940%0.39736%0.358SS..Hα-helixtrans-63.5-39.6177.2-65.9176.1-175.500111.6S2 Q3 Q8 Q9 L116S2-E6 PolarHBondContact O-N 3.47Å; Q3-E6 PolarHBondContact O-N 3.07Å; E6-Q8 VanDerWaalsContact C-N 3.33Å; E6-Q8 PolarHBondContact O-N 3.44Å; E6-Q9 PolarHBondContact O-N 2.74Å; E6-L116 HydrophobicContact CB-CD2 4.03Å
7L89Confident82.9Confident2 Ų272.7 Ų72.71%0.0136%0.36CS..Hα-helixtrans-60-41.7173.5-72.6167.4000112.3Q3 W4 F5 Q9 L10 L15 V18 E112 I115 L116Q3-L7 PolarHBondContact O-N 3.3Å; Q3-L7 VanDerWaalsContact O-N 3.07Å; W4-L7 HydrophobicContact CE3-CD1 4.02Å; W4-L7 HydrophobicContact CZ3-CD1 4.37Å; F5-L7 VanDerWaalsContact C-N 3.33Å; F5-L7 PolarHBondContact O-N 2.62Å; L7-Q9 PolarHBondContact O-N 3.25Å; L7-L10 HydrophobicContact CD2-CD1 4.02Å; L7-L10 WeakPolarHBondContact O-CB 3.4Å; L7-L10 WeakPolarHBondContact O-CG 3.43Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-L10 VanDerWaalsContact O-N 3.08Å; L7-L15 WeakPolarHBondContact O-CD2 3.49Å; L7-V18 HydrophobicContact CD1-CG2 4.44Å; L7-V18 HydrophobicContact CD2-CG2 3.87Å; L7-E112 HydrophobicContact CD1-CB 3.85Å; L7-E112 HydrophobicContact CD1-CG 3.57Å; L7-I115 HydrophobicContact CD2-CG2 4.29Å; L7-L116 HydrophobicContact CD2-CD1 4.13Å; L7-L116 HydrophobicContact CD2-CD2 3.87Å; L7-L116 HydrophobicContact CD2-CG 3.62Å; L7-L116 HydrophobicContact CG-CD1 4.21Å; L7-L116 HydrophobicContact CG-CD2 4.22Å; L7-L116 HydrophobicContact CG-CG 4.16Å
8Q87.3Confident83.1Confident88 Ų8868.9 Ų68.941%0.41134%0.341SS..Hα-helixtrans-65.2-17.9179.9-72.5-179.8-5.700113.9W4 F5 E6W4-Q8 WeakPolarHBondContact O-CG 3.41Å; W4-Q8 PolarHBondContact O-N 2.9Å; F5-Q8 PolarHBondContact O-N 3.48Å; E6-Q8 VanDerWaalsContact C-N 3.33Å; E6-Q8 PolarHBondContact O-N 3.44Å
9Q85.1Confident83.1Confident127 Ų12770.6 Ų70.659%0.59335%0.348SS*.THydrogen-bonded Turntrans-88.6-3.3176.4-57.2-53-50.400113.2F5 E6 L7F5-Q9 HydrophobicContact CE1-CG 4.14Å; F5-Q9 HydrophobicContact CZ-CG 4.42Å; F5-Q9 WeakPolarHBondContact O-CG 3.38Å; F5-Q9 PolarHBondContact O-N 2.94Å; E6-Q9 PolarHBondContact O-N 2.74Å; L7-Q9 PolarHBondContact O-N 3.25Å
10L84.8Confident83Confident27 Ų2772.7 Ų72.714%0.14136%0.357CS..SBendtrans-77.3159.6179.5-60-177.4000112.1L7 F14 L15 I115 L116 A119L7-L10 HydrophobicContact CD2-CD1 4.02Å; L7-L10 WeakPolarHBondContact O-CB 3.4Å; L7-L10 WeakPolarHBondContact O-CG 3.43Å; L7-L10 PolarHBondContact O-N 3.47Å; L7-L10 VanDerWaalsContact O-N 3.08Å; L10-F14 HydrophobicContact CB-CB 3.89Å; L10-F14 HydrophobicContact CB-CD2 4.37Å; L10-F14 HydrophobicContact CD1-CB 3.69Å; L10-F14 HydrophobicContact CD1-CG 4.27Å; L10-F14 HydrophobicContact CG-CB 4.45Å; L10-L15 WeakPolarHBondContact O-CD1 3.42Å; L10-I115 HydrophobicContact CD1-CG2 4.08Å; L10-L116 HydrophobicContact CD1-CD2 3.93Å; L10-L116 HydrophobicContact CD2-CD2 4.27Å; L10-L116 HydrophobicContact CG-CD2 4.28Å; L10-A119 HydrophobicContact CD1-CB 3.94Å; L10-A119 HydrophobicContact CD2-CB 3.63Å; L10-A119 HydrophobicContact CG-CB 4.37Å
11D78.5Confident83.1Confident88 Ų8871.5 Ų71.547%0.47135%0.352SS..  trans-58.2152.7171.5-68.9-35.6000112K13 F14 L15D11-K13 PolarHBondContact O-N 3.18Å; D11-F14 HydrophobicContact CB-CD2 4.21Å; D11-F14 PolarHBondContact O-N 3.39Å; D11-L15 PolarHBondContact O-N 2.89Å
12S74.4Confident84.4Confident94 Ų9463.8 Ų63.866%0.65731%0.313SS*.Hα-helixtrans-51-29.4-178.6600000114.5F14 L15 E16S12-F14 PolarHBondContact O-N 3.21Å; S12-L15 PolarHBondContact O-N 3.48Å; S12-E16 PolarHBondContact O-N 2.94Å
13K75.8Confident84.1Confident132 Ų13267.3 Ų67.357%0.57433%0.33SS*.Hα-helixtrans-62.6-39.4176.7-64.9-178.8-177.9175.60113.1D11D11-K13 PolarHBondContact O-N 3.18Å
14F82Confident83.4Confident16 Ų1672.4 Ų72.47%0.0736%0.358CS..Hα-helixtrans-81.8-34.8178.9-61.3-73.5000111L10 D11 S12 E16 Q17 V18 I115 A119 F122L10-F14 HydrophobicContact CB-CB 3.89Å; L10-F14 HydrophobicContact CB-CD2 4.37Å; L10-F14 HydrophobicContact CD1-CB 3.69Å; L10-F14 HydrophobicContact CD1-CG 4.27Å; L10-F14 HydrophobicContact CG-CB 4.45Å; D11-F14 HydrophobicContact CB-CD2 4.21Å; D11-F14 PolarHBondContact O-N 3.39Å; S12-F14 PolarHBondContact O-N 3.21Å; F14-E16 VanDerWaalsContact C-N 3.27Å; F14-E16 PolarHBondContact O-N 3.46Å; F14-Q17 WeakPolarHBondContact O-CB 3.41Å; F14-Q17 PolarHBondContact O-N 3Å; F14-Q17 VanDerWaalsContact O-N 3.08Å; F14-V18 WeakPolarHBondContact O-CG2 3.44Å; F14-V18 PolarHBondContact O-N 3.1Å; F14-I115 HydrophobicContact CB-CG2 3.9Å; F14-I115 HydrophobicContact CD1-CG2 4.12Å; F14-I115 HydrophobicContact CG-CG2 4.44Å; F14-A119 HydrophobicContact CD1-CB 3.92Å; F14-A119 HydrophobicContact CD2-CB 3.79Å; F14-A119 HydrophobicContact CE1-CB 3.87Å; F14-A119 HydrophobicContact CE2-CB 3.75Å; F14-A119 HydrophobicContact CG-CB 3.89Å; F14-A119 VanDerWaalsContact CZ-CA 3.49Å; F14-A119 HydrophobicContact CZ-CB 3.8Å; F14-F122 HydrophobicContact CE2-CB 4.44Å; F14-F122 HydrophobicContact CE2-CD1 4.25Å; F14-F122 HydrophobicContact CE2-CG 4.47Å; F14-F122 HydrophobicContact CZ-CB 3.77Å; F14-F122 HydrophobicContact CZ-CD1 4.19Å; F14-F122 AromaticContact CZ-CG 3.96Å; F14-F122 HydrophobicContact CZ-CG 3.96Å
15L83.2Confident82.8Confident53 Ų5373.8 Ų73.828%0.27737%0.369SS..Hα-helixtrans-59.5-37.6172.8-65.8174.7000112.1L7 L10 D11 S12 Q17 V18 H19L7-L15 WeakPolarHBondContact O-CD2 3.49Å; L10-L15 WeakPolarHBondContact O-CD1 3.42Å; D11-L15 PolarHBondContact O-N 2.89Å; S12-L15 PolarHBondContact O-N 3.48Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.37Å; L15-V18 WeakPolarHBondContact O-CB 3.47Å; L15-V18 PolarHBondContact O-N 3.48Å; L15-H19 PolarHBondContact O-CD2 3.2Å; L15-H19 VanDerWaalsContact O-CD2 3.23Å; L15-H19 PolarHBondContact O-N 3.34Å
16E79.6Confident82.6Confident106 Ų10669.9 Ų69.950%0.49535%0.352SS..Hα-helixtrans-63.3-36.5174.4-172.860.8-147.700112.2S12 F14 H19 Q20S12-E16 PolarHBondContact O-N 2.94Å; F14-E16 VanDerWaalsContact C-N 3.27Å; F14-E16 PolarHBondContact O-N 3.46Å; E16-H19 PolarHBondContact O-N 2.67Å; E16-Q20 WeakPolarHBondContact O-CG 3.44Å; E16-Q20 PolarHBondContact O-N 3.45Å
17Q80.4Confident82.5Confident85 Ų8566.2 Ų66.240%0.39734%0.336SS..Hα-helixtrans-66.2-40173.7-64.6178.613.200111.1F14 L15 H19 Q20 L21 I115F14-Q17 WeakPolarHBondContact O-CB 3.41Å; F14-Q17 PolarHBondContact O-N 3Å; F14-Q17 VanDerWaalsContact O-N 3.08Å; L15-Q17 VanDerWaalsContact C-N 3.32Å; L15-Q17 PolarHBondContact O-N 3.37Å; Q17-H19 VanDerWaalsContact C-N 3.32Å; Q17-H19 PolarHBondContact O-N 2.99Å; Q17-Q20 PolarHBondContact O-N 2.96Å; Q17-L21 PolarHBondContact O-N 3.16Å; Q17-I115 HydrophobicContact CB-CD1 3.84Å; Q17-I115 HydrophobicContact CB-CG1 4.35Å
18V86.9Confident82.6Confident4 Ų468.6 Ų68.62%0.02435%0.347CS..Hα-helixtrans-60.1-44.2173.9178.90000110.3W4 L7 F14 L15 Q20 L21 Y22 I115W4-V18 HydrophobicContact CH2-CG1 4.17Å; W4-V18 HydrophobicContact CZ3-CG1 3.94Å; L7-V18 HydrophobicContact CD1-CG2 4.44Å; L7-V18 HydrophobicContact CD2-CG2 3.87Å; F14-V18 WeakPolarHBondContact O-CG2 3.44Å; F14-V18 PolarHBondContact O-N 3.1Å; L15-V18 WeakPolarHBondContact O-CB 3.47Å; L15-V18 PolarHBondContact O-N 3.48Å; V18-Q20 PolarHBondContact O-N 3.12Å; V18-L21 WeakPolarHBondContact O-CB 3.47Å; V18-L21 PolarHBondContact O-N 3.24Å; V18-L21 VanDerWaalsContact O-N 3.08Å; V18-Y22 HydrophobicContact CG1-CD2 4.25Å; V18-Y22 HydrophobicContact CG1-CE2 3.92Å; V18-Y22 VanDerWaalsContact O-CD2 3.29Å; V18-Y22 WeakPolarHBondContact O-CD2 3.36Å; V18-I115 HydrophobicContact CG2-CD1 3.97Å; V18-I115 HydrophobicContact CG2-CG2 4.36Å
19H83.1Confident82.7Confident102 Ų10267.9 Ų67.947%0.47234%0.344SS..Hα-helixtrans-59.3-32.5176.7-79.9-59000113.6L15 E16 Q17 L21L15-H19 PolarHBondContact O-CD2 3.2Å; L15-H19 VanDerWaalsContact O-CD2 3.23Å; L15-H19 PolarHBondContact O-N 3.34Å; E16-H19 PolarHBondContact O-N 2.67Å; Q17-H19 VanDerWaalsContact C-N 3.32Å; Q17-H19 PolarHBondContact O-N 2.99Å; H19-L21 VanDerWaalsContact C-N 3.28Å; H19-L21 PolarHBondContact O-N 3.42Å
20Q81.7Confident83Confident111 Ų11161.9 Ų61.952%0.51932%0.316SS..Hα-helixtrans-75.2-15.5178.8-68.7173.711.300113.7E16 Q17 V18E16-Q20 WeakPolarHBondContact O-CG 3.44Å; E16-Q20 PolarHBondContact O-N 3.45Å; Q17-Q20 PolarHBondContact O-N 2.96Å; V18-Q20 PolarHBondContact O-N 3.12Å
21L84.3Confident83.4Confident49 Ų4960.6 Ų60.626%0.25731%0.309SS..Hα-helixtrans-80.1-24.6177.4-65.8176.7000113.5Q17 V18 H19 E111 E112 I115Q17-L21 PolarHBondContact O-N 3.16Å; V18-L21 WeakPolarHBondContact O-CB 3.47Å; V18-L21 PolarHBondContact O-N 3.24Å; V18-L21 VanDerWaalsContact O-N 3.08Å; H19-L21 VanDerWaalsContact C-N 3.28Å; H19-L21 PolarHBondContact O-N 3.42Å; L21-E111 HydrophobicContact CD1-CB 3.82Å; L21-E111 HydrophobicContact CD2-CB 3.79Å; L21-E111 HydrophobicContact CD2-CG 4.17Å; L21-E111 HydrophobicContact CG-CB 4.5Å; L21-E112 HydrophobicContact CD1-CG 4.29Å; L21-I115 HydrophobicContact CD1-CD1 3.72Å
22Y87.8Confident84Confident23 Ų2360.1 Ų60.19%0.0930%0.304CS..  trans-105.9122.9-173.2-67-75.5000111.2W4 V18 F26 M28 R31 C108 E112W4-Y22 HydrophobicContact CH2-CE2 4.08Å; W4-Y22 AromaticContact CZ3-CE2 3.82Å; W4-Y22 HydrophobicContact CZ3-CE2 3.82Å; V18-Y22 HydrophobicContact CG1-CD2 4.25Å; V18-Y22 HydrophobicContact CG1-CE2 3.92Å; V18-Y22 VanDerWaalsContact O-CD2 3.29Å; V18-Y22 WeakPolarHBondContact O-CD2 3.36Å; Y22-F26 HydrophobicContact CD1-CD1 4.08Å; Y22-F26 WeakPolarHBondContact CD1-O 3.48Å; Y22-F26 AromaticContact CE1-CD1 3.79Å; Y22-F26 HydrophobicContact CE1-CD1 3.79Å; Y22-F26 HydrophobicContact CE1-CE1 4.05Å; Y22-M28 HydrophobicContact CD1-CB 4.33Å; Y22-M28 HydrophobicContact CD2-CB 4.49Å; Y22-M28 HydrophobicContact CD2-CG 4.16Å; Y22-M28 HydrophobicContact CG-CB 3.95Å; Y22-M28 HydrophobicContact CG-CG 4.13Å; Y22-R31 HydrophobicContact CD1-CB 4.31Å; Y22-R31 HydrophobicContact CE1-CB 3.64Å; Y22-R31 HydrophobicContact CE1-CG 3.71Å; Y22-R31 HydrophobicContact CE2-CG 4.32Å; Y22-R31 WeakPolarHBondContact OH-CD 3.44Å; Y22-R31 VanDerWaalsContact OH-CG 3.23Å; Y22-R31 WeakPolarHBondContact OH-CG 3.35Å; Y22-R31 PolarHBondContact OH-NE 3.35Å; Y22-C108 HydrophobicContact CE1-CB 4.45Å; Y22-E112 VanDerWaalsContact OH-CD 3.27Å; Y22-E112 PolarHBondContact OH-OE1 3.15Å
23D81Confident84.9Confident97 Ų9759 Ų5952%0.51929%0.286SS..  trans-132.2-171.3175.766.613000110.8S25 F26D23-S25 PolarHBondContact O-N 2.99Å; D23-S25 VanDerWaalsContact O-N 3.13Å; D23-S25 WeakPolarHBondContact OD1-CA 3.28Å; D23-S25 WeakPolarHBondContact OD1-CB 3.39Å; D23-S25 PolarHBondContact OD1-N 3.43Å; D23-S25 PolarHBondContact OD1-OG 3.08Å; D23-F26 CarbonylContact O-C 3.44Å; D23-F26 VanDerWaalsContact O-C 3.25Å; D23-F26 PolarHBondContact O-N 3.49Å
24D76.7Confident85.7Confident133 Ų13353 Ų5371%0.71126%0.26SS*.THydrogen-bonded Turntrans-64.6-13.6-180-75.8-26.9000113.5
25S78.8Confident86.3Confident41 Ų4152.5 Ų52.529%0.28726%0.259SS..THydrogen-bonded Turntrans-73.2-40.8176.3780000111.5D23 F94D23-S25 PolarHBondContact O-N 2.99Å; D23-S25 VanDerWaalsContact O-N 3.13Å; D23-S25 WeakPolarHBondContact OD1-CA 3.28Å; D23-S25 WeakPolarHBondContact OD1-CB 3.39Å; D23-S25 PolarHBondContact OD1-N 3.43Å; D23-S25 PolarHBondContact OD1-OG 3.08Å; S25-F94 WeakPolarHBondContact O-CE2 3.32Å; S25-F94 WeakPolarHBondContact O-CZ 3.44Å
26F85.5Confident86.8Confident4 Ų456.3 Ų56.32%0.01828%0.275CS..SBendtrans-134.596.9172.1-172.4-113.4000110.1Y22 D23 M28 I30 R31 L38 L90 I104 I105Y22-F26 HydrophobicContact CD1-CD1 4.08Å; Y22-F26 WeakPolarHBondContact CD1-O 3.48Å; Y22-F26 AromaticContact CE1-CD1 3.79Å; Y22-F26 HydrophobicContact CE1-CD1 3.79Å; Y22-F26 HydrophobicContact CE1-CE1 4.05Å; D23-F26 CarbonylContact O-C 3.44Å; D23-F26 VanDerWaalsContact O-C 3.25Å; D23-F26 PolarHBondContact O-N 3.49Å; F26-M28 PolarHBondContact O-N 2.97Å; F26-I30 HydrophobicContact CE2-CB 4.45Å; F26-I30 HydrophobicContact CE2-CG2 4.05Å; F26-I30 HydrophobicContact CZ-CB 4.49Å; F26-I30 HydrophobicContact CZ-CG2 4.14Å; F26-R31 HydrophobicContact CE1-CB 4.02Å; F26-L38 HydrophobicContact CZ-CD1 3.99Å; F26-L38 HydrophobicContact CZ-CD2 4.3Å; F26-L90 HydrophobicContact CD2-CD2 4.32Å; F26-I104 HydrophobicContact CB-CG2 3.79Å; F26-I104 HydrophobicContact CG-CG2 4.42Å; F26-I105 HydrophobicContact CD2-CD1 4.45Å; F26-I105 HydrophobicContact CD2-CG1 4.02Å; F26-I105 HydrophobicContact CE1-CG1 4.3Å; F26-I105 HydrophobicContact CE2-CD1 3.82Å; F26-I105 HydrophobicContact CE2-CG1 3.67Å; F26-I105 HydrophobicContact CG-CG1 4.49Å; F26-I105 HydrophobicContact CZ-CD1 4.19Å; F26-I105 HydrophobicContact CZ-CG1 3.83Å
27P87.7Confident87.5Confident9 Ų953.3 Ų53.36%0.05826%0.26CS..  trans-64.5133.2-171.3-19.428.7000112.9E29 I30 R31P27-E29 WeakPolarHBondContact CB-OE2 3.18Å; P27-E29 PolarHBondContact O-N 2.88Å; P27-E29 VanDerWaalsContact O-N 3.13Å; P27-I30 HydrophobicContact CB-CG1 4.25Å; P27-I30 HydrophobicContact CG-CD1 4.15Å; P27-I30 HydrophobicContact CG-CG1 4.44Å; P27-I30 WeakPolarHBondContact O-CB 3.29Å; P27-I30 PolarHBondContact O-N 3.32Å; P27-R31 PolarHBondContact O-N 3.19Å
28M90.5Very high88.1Confident51 Ų5149.2 Ų49.225%0.25124%0.241SC..Hα-helixtrans-58.1-27.2178.9-169.9177.9171.500112.4W4 Y22 F26 I30 R31 Q32W4-M28 HydrophobicContact CH2-CE 3.41Å; W4-M28 VanDerWaalsContact CH2-CE 3.41Å; W4-M28 HydrophobicContact CH2-CG 3.7Å; W4-M28 HydrophobicContact CH2-SD 4.25Å; W4-M28 HydrophobicContact CZ2-CE 3.45Å; W4-M28 VanDerWaalsContact CZ2-CE 3.45Å; W4-M28 HydrophobicContact CZ2-CG 3.95Å; Y22-M28 HydrophobicContact CD1-CB 4.33Å; Y22-M28 HydrophobicContact CD2-CB 4.49Å; Y22-M28 HydrophobicContact CD2-CG 4.16Å; Y22-M28 HydrophobicContact CG-CB 3.95Å; Y22-M28 HydrophobicContact CG-CG 4.13Å; F26-M28 PolarHBondContact O-N 2.97Å; M28-I30 VanDerWaalsContact C-N 3.31Å; M28-I30 PolarHBondContact O-N 3.42Å; M28-R31 WeakPolarHBondContact O-CB 3.45Å; M28-R31 PolarHBondContact O-N 3.06Å; M28-Q32 WeakPolarHBondContact O-CB 3.46Å; M28-Q32 PolarHBondContact O-N 3.43Å
29E88.3Confident88.5Confident74 Ų7451.7 Ų51.735%0.34625%0.252SS..Hα-helixtrans-61.7-40.6175.7-57.782.9178.200111.4P27 Q32 Y33P27-E29 WeakPolarHBondContact CB-OE2 3.18Å; P27-E29 PolarHBondContact O-N 2.88Å; P27-E29 VanDerWaalsContact O-N 3.13Å; E29-Q32 PolarHBondContact O-N 3.5Å; E29-Y33 HydrophobicContact CB-CD2 4.32Å; E29-Y33 HydrophobicContact CB-CE2 4.35Å; E29-Y33 WeakPolarHBondContact O-CD2 3.43Å; E29-Y33 PolarHBondContact O-N 3.37Å
30I91.2Very high89Confident0 Ų054.5 Ų54.50%026%0.263CS..Hα-helixtrans-66.5-47.9176.9-56-172000108.9F26 P27 M28 Q32 L34 L60 L64 L90F26-I30 HydrophobicContact CE2-CB 4.45Å; F26-I30 HydrophobicContact CE2-CG2 4.05Å; F26-I30 HydrophobicContact CZ-CB 4.49Å; F26-I30 HydrophobicContact CZ-CG2 4.14Å; P27-I30 HydrophobicContact CB-CG1 4.25Å; P27-I30 HydrophobicContact CG-CD1 4.15Å; P27-I30 HydrophobicContact CG-CG1 4.44Å; P27-I30 WeakPolarHBondContact O-CB 3.29Å; P27-I30 PolarHBondContact O-N 3.32Å; M28-I30 VanDerWaalsContact C-N 3.31Å; M28-I30 PolarHBondContact O-N 3.42Å; I30-Q32 PolarHBondContact O-N 2.93Å; I30-L34 HydrophobicContact CB-CD1 4.4Å; I30-L34 HydrophobicContact CG2-CD1 3.55Å; I30-L34 VanDerWaalsContact O-CB 3.31Å; I30-L34 WeakPolarHBondContact O-CB 3.33Å; I30-L34 PolarHBondContact O-N 2.96Å; I30-L60 HydrophobicContact CG2-CD1 4.06Å; I30-L64 HydrophobicContact CD1-CD1 4.23Å; I30-L64 HydrophobicContact CD1-CD2 4.38Å; I30-L64 HydrophobicContact CG1-CD2 4.18Å; I30-L64 HydrophobicContact CG2-CD2 4.44Å; I30-L90 HydrophobicContact CD1-CD1 3.23Å; I30-L90 HydrophobicContact CD1-CD2 4.42Å; I30-L90 HydrophobicContact CD1-CG 3.69Å
31R93.2Very high89.5Confident1 Ų151 Ų510%0.00425%0.246CC..Hα-helixtrans-52.3-43.9176.5172.865.8-173.1101.1-9.9112.3W4 Y22 F26 P27 M28 A35 E39 E112W4-R31 HydrophobicContact CD2-CG 4.25Å; W4-R31 HydrophobicContact CE3-CG 3.7Å; W4-R31 HydrophobicContact CH2-CG 3.94Å; W4-R31 HydrophobicContact CZ2-CG 4.47Å; W4-R31 HydrophobicContact CZ3-CG 3.55Å; Y22-R31 HydrophobicContact CD1-CB 4.31Å; Y22-R31 HydrophobicContact CE1-CB 3.64Å; Y22-R31 HydrophobicContact CE1-CG 3.71Å; Y22-R31 HydrophobicContact CE2-CG 4.32Å; Y22-R31 WeakPolarHBondContact OH-CD 3.44Å; Y22-R31 VanDerWaalsContact OH-CG 3.23Å; Y22-R31 WeakPolarHBondContact OH-CG 3.35Å; Y22-R31 PolarHBondContact OH-NE 3.35Å; F26-R31 HydrophobicContact CE1-CB 4.02Å; P27-R31 PolarHBondContact O-N 3.19Å; M28-R31 WeakPolarHBondContact O-CB 3.45Å; M28-R31 PolarHBondContact O-N 3.06Å; R31-A35 WeakPolarHBondContact O-CA 3.08Å; R31-A35 VanDerWaalsContact O-CB 3.31Å; R31-A35 WeakPolarHBondContact O-CB 3.45Å; R31-A35 PolarHBondContact O-N 3.49Å; R31-E39 IonicContact CZ-OE1 3.72Å; R31-E39 IonicContact NH1-OE1 2.74Å; R31-E39 PolarHBondContact NH1-OE1 3.29Å; R31-E39 IonicContact NH2-OE1 2.57Å; R31-E39 PolarHBondContact NH2-OE1 2.92Å; R31-E112 IonicContact CZ-OE1 2.65Å; R31-E112 IonicContact CZ-OE2 3.79Å; R31-E112 IonicContact NE-OE1 3.51Å; R31-E112 PolarHBondContact NE-OE1 3.44Å; R31-E112 IonicContact NE-OE2 4Å; R31-E112 PolarHBondContact NE-OE2 3.24Å; R31-E112 IonicContact NH2-OE1 2.74Å; R31-E112 IonicContact NH2-OE2 2.74Å; R31-E112 PolarHBondContact NH2-OE2 2.65Å
32Q92.8Very high89.9Confident78 Ų7853 Ų5336%0.36426%0.257SS..Hα-helixtrans-74-54.4-176.5172.8167.6-27.800112.5W4 M28 E29 I30 L34 A35W4-Q32 HydrophobicContact CZ2-CB 4.02Å; M28-Q32 WeakPolarHBondContact O-CB 3.46Å; M28-Q32 PolarHBondContact O-N 3.43Å; E29-Q32 PolarHBondContact O-N 3.5Å; I30-Q32 PolarHBondContact O-N 2.93Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.21Å; Q32-A35 WeakPolarHBondContact O-CB 3.34Å; Q32-A35 PolarHBondContact O-N 2.95Å
33Y92.3Very high90.1Very high71 Ų7152.2 Ų52.228%0.27825%0.254SS..Hα-helixtrans-73.7-22.3-172.9-68.7-58.7000113.4E29 Q67 F71 L79 I83E29-Y33 HydrophobicContact CB-CD2 4.32Å; E29-Y33 HydrophobicContact CB-CE2 4.35Å; E29-Y33 WeakPolarHBondContact O-CD2 3.43Å; E29-Y33 PolarHBondContact O-N 3.37Å; Y33-Q67 PolarHBondContact O-NE2 3Å; Y33-F71 HydrophobicContact CD1-CE1 4.44Å; Y33-F71 AromaticContact CD1-CZ 3.65Å; Y33-F71 HydrophobicContact CD1-CZ 3.65Å; Y33-F71 HydrophobicContact CD2-CE2 4.28Å; Y33-F71 HydrophobicContact CD2-CZ 4.04Å; Y33-F71 HydrophobicContact CE1-CE1 4.19Å; Y33-F71 AromaticContact CE1-CZ 3.63Å; Y33-F71 HydrophobicContact CE1-CZ 3.63Å; Y33-F71 HydrophobicContact CE2-CE2 4.4Å; Y33-F71 HydrophobicContact CE2-CZ 4.04Å; Y33-F71 HydrophobicContact CG-CE2 4.4Å; Y33-F71 AromaticContact CG-CZ 3.87Å; Y33-F71 HydrophobicContact CG-CZ 3.87Å; Y33-F71 AromaticContact CZ-CZ 3.85Å; Y33-L79 HydrophobicContact CE1-CD1 4.49Å; Y33-L79 HydrophobicContact CE2-CD2 4.15Å; Y33-L79 VanDerWaalsContact OH-CD1 3.32Å; Y33-L79 WeakPolarHBondContact OH-CD1 3.43Å; Y33-L79 WeakPolarHBondContact OH-CD2 3.42Å; Y33-I83 HydrophobicContact CD2-CD1 4.24Å
34L93.7Very high90.6Very high4 Ų452.1 Ų52.12%0.02125%0.251CS..THydrogen-bonded Turntrans-111.416179.7-63143.6000112I30 Q32 Q36 W37 L38 L60 Q63 L64 Q67I30-L34 HydrophobicContact CB-CD1 4.4Å; I30-L34 HydrophobicContact CG2-CD1 3.55Å; I30-L34 VanDerWaalsContact O-CB 3.31Å; I30-L34 WeakPolarHBondContact O-CB 3.33Å; I30-L34 PolarHBondContact O-N 2.96Å; Q32-L34 VanDerWaalsContact C-N 3.28Å; Q32-L34 PolarHBondContact O-N 3.21Å; L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 3.41Å; L34-W37 WeakPolarHBondContact O-CA 3.49Å; L34-W37 PolarHBondContact O-N 3.23Å; L34-L38 HydrophobicContact CB-CD1 4.08Å; L34-L38 HydrophobicContact CB-CG 4.12Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 2.98Å; L34-L60 HydrophobicContact CD1-CD1 4.05Å; L34-Q63 HydrophobicContact CD2-CB 3.32Å; L34-Q63 HydrophobicContact CD2-CG 4.26Å; L34-L64 HydrophobicContact CD1-CD2 3.5Å; L34-L64 HydrophobicContact CD1-CG 3.95Å; L34-Q67 HydrophobicContact CD2-CG 4.01Å; L34-Q67 HydrophobicContact CG-CG 4.28Å
35A93.9Very high91.2Very high6 Ų649.9 Ų49.95%0.0524%0.236CC..Hα-helixtrans-48.8-51.9-172.700000113.4W4 R31 Q32 W37 L38 E39W4-A35 HydrophobicContact CB-CB 3.8Å; W4-A35 HydrophobicContact CG-CB 4.25Å; R31-A35 WeakPolarHBondContact O-CA 3.08Å; R31-A35 VanDerWaalsContact O-CB 3.31Å; R31-A35 WeakPolarHBondContact O-CB 3.45Å; R31-A35 PolarHBondContact O-N 3.49Å; Q32-A35 WeakPolarHBondContact O-CB 3.34Å; Q32-A35 PolarHBondContact O-N 2.95Å; A35-W37 VanDerWaalsContact C-N 3.26Å; A35-W37 PolarHBondContact O-N 2.9Å; A35-L38 PolarHBondContact O-N 3.42Å; A35-E39 WeakPolarHBondContact O-CB 3.44Å; A35-E39 WeakPolarHBondContact O-CG 3.46Å; A35-E39 PolarHBondContact O-N 3.05Å
36Q92.8Very high91.7Very high133 Ų13347.9 Ų47.962%0.62122%0.222SC*.Hα-helixtrans-65.2-28.8-179.3-64-1786.700113.6L34 K40L34-Q36 VanDerWaalsContact C-N 3.34Å; L34-Q36 PolarHBondContact O-N 3.41Å; Q36-K40 VanDerWaalsContact O-CD 3.3Å; Q36-K40 WeakPolarHBondContact O-CD 3.36Å; Q36-K40 WeakPolarHBondContact O-CG 3.48Å
37W94.7Very high91.8Very high43 Ų4348.2 Ų48.216%0.16323%0.225CC..Hα-helixtrans-79.1-47.5178.2-177.988.6000110.2L34 A35 E39 K40 Q41 W43 D59 L60 Q63L34-W37 WeakPolarHBondContact O-CA 3.49Å; L34-W37 PolarHBondContact O-N 3.23Å; A35-W37 VanDerWaalsContact C-N 3.26Å; A35-W37 PolarHBondContact O-N 2.9Å; W37-E39 PolarHBondContact O-N 3.44Å; W37-K40 PolarHBondContact O-N 3.41Å; W37-Q41 HydrophobicContact CD2-CG 4.19Å; W37-Q41 HydrophobicContact CE3-CG 4.17Å; W37-Q41 HydrophobicContact CH2-CG 3.9Å; W37-Q41 HydrophobicContact CZ2-CG 3.9Å; W37-Q41 HydrophobicContact CZ3-CG 4.03Å; W37-Q41 WeakPolarHBondContact O-CG 3.45Å; W37-Q41 PolarHBondContact O-NE2 2.92Å; W37-W43 HydrophobicContact CE3-CZ2 4.49Å; W37-W43 HydrophobicContact CH2-CH2 4.05Å; W37-W43 HydrophobicContact CH2-CZ2 4.17Å; W37-W43 AromaticContact CZ3-CH2 3.87Å; W37-W43 HydrophobicContact CZ3-CH2 3.87Å; W37-W43 AromaticContact CZ3-CZ2 3.7Å; W37-W43 HydrophobicContact CZ3-CZ2 3.7Å; W37-D59 HydrophobicContact CH2-CB 4.05Å; W37-D59 HydrophobicContact CZ2-CB 3.58Å; W37-L60 HydrophobicContact CE3-CD1 4.18Å; W37-L60 HydrophobicContact CH2-CB 3.86Å; W37-L60 HydrophobicContact CZ3-CB 3.83Å; W37-L60 HydrophobicContact CZ3-CD1 3.75Å; W37-L60 HydrophobicContact CZ3-CG 4.32Å; W37-Q63 HydrophobicContact CD2-CG 3.92Å; W37-Q63 HydrophobicContact CG-CG 4.02Å; W37-Q63 HydrophobicContact CZ2-CG 4.4Å
38L94.4Very high91.8Very high0 Ų056.4 Ų56.40%026%0.256CS..Hα-helixtrans-58.4-47178.1-69.1168000111.3F26 L34 A35 K40 Q41 W43 L60 I105F26-L38 HydrophobicContact CZ-CD1 3.99Å; F26-L38 HydrophobicContact CZ-CD2 4.3Å; L34-L38 HydrophobicContact CB-CD1 4.08Å; L34-L38 HydrophobicContact CB-CG 4.12Å; L34-L38 WeakPolarHBondContact O-CG 3.48Å; L34-L38 PolarHBondContact O-N 2.98Å; A35-L38 PolarHBondContact O-N 3.42Å; L38-K40 PolarHBondContact O-N 2.99Å; L38-K40 VanDerWaalsContact O-N 3.14Å; L38-Q41 PolarHBondContact O-N 2.98Å; L38-W43 HydrophobicContact CD2-CH2 4.42Å; L38-W43 HydrophobicContact CD2-CZ2 3.68Å; L38-W43 PolarHBondContact O-NE1 2.88Å; L38-L60 HydrophobicContact CD2-CD1 4.16Å; L38-I105 HydrophobicContact CD2-CD1 4.36Å; L38-I105 HydrophobicContact CD2-CG2 4.34Å
39E93.8Very high91.8Very high55 Ų5556.5 Ų56.526%0.25726%0.258SS..THydrogen-bonded Turntrans-65.3-17.2-178.7-70.2165.1-155.400113.6S2 Q3 W4 R31 A35 W37 L109S2-E39 WeakPolarHBondContact CA-OE2 3.45Å; S2-E39 VanDerWaalsContact CB-OE2 3.25Å; S2-E39 WeakPolarHBondContact CB-OE2 3.48Å; Q3-E39 HydrophobicContact CB-CG 4.26Å; Q3-E39 VanDerWaalsContact N-CD 3.35Å; Q3-E39 PolarHBondContact N-OE1 3.42Å; Q3-E39 PolarHBondContact N-OE2 2.93Å; W4-E39 PolarHBondContact N-OE1 3.39Å; W4-E39 VanDerWaalsContact N-OE1 3.13Å; R31-E39 IonicContact CZ-OE1 3.72Å; R31-E39 IonicContact NH1-OE1 2.74Å; R31-E39 PolarHBondContact NH1-OE1 3.29Å; R31-E39 IonicContact NH2-OE1 2.57Å; R31-E39 PolarHBondContact NH2-OE1 2.92Å; A35-E39 WeakPolarHBondContact O-CB 3.44Å; A35-E39 WeakPolarHBondContact O-CG 3.46Å; A35-E39 PolarHBondContact O-N 3.05Å; W37-E39 PolarHBondContact O-N 3.44Å; E39-L109 HydrophobicContact CG-CD2 4.3Å
40K93.4Very high91.8Very high162 Ų16257.4 Ų57.470%0.70427%0.268SS*.THydrogen-bonded Turntrans-90-19.6178.9-75176.3-174.3179.90114.1Q36 W37 L38Q36-K40 VanDerWaalsContact O-CD 3.3Å; Q36-K40 WeakPolarHBondContact O-CD 3.36Å; Q36-K40 WeakPolarHBondContact O-CG 3.48Å; W37-K40 PolarHBondContact O-N 3.41Å; L38-K40 PolarHBondContact O-N 2.99Å; L38-K40 VanDerWaalsContact O-N 3.14Å
41Q93.2Very high91.7Very high37 Ų3761 Ų6117%0.17329%0.293CS..SBendtrans-82149.4-175.4-48-48.5-49.100111.3W37 L38 W43W37-Q41 HydrophobicContact CD2-CG 4.19Å; W37-Q41 HydrophobicContact CE3-CG 4.17Å; W37-Q41 HydrophobicContact CH2-CG 3.9Å; W37-Q41 HydrophobicContact CZ2-CG 3.9Å; W37-Q41 HydrophobicContact CZ3-CG 4.03Å; W37-Q41 WeakPolarHBondContact O-CG 3.45Å; W37-Q41 PolarHBondContact O-NE2 2.92Å; L38-Q41 PolarHBondContact O-N 2.98Å; Q41-W43 HydrophobicContact CB-CD2 4.26Å; Q41-W43 HydrophobicContact CB-CZ2 3.78Å; Q41-W43 HydrophobicContact CG-CZ2 3.75Å; Q41-W43 PolarHBondContact O-N 3.33Å; Q41-W43 VanDerWaalsContact O-N 3.12Å
42D92.6Very high91.6Very high91 Ų9162.9 Ų62.949%0.48730%0.301SS..  trans-85.178.5174-166.5-15.5000110.8E44 H45 A46 F52D42-E44 PolarHBondContact O-N 3.15Å; D42-E44 PolarHBondContact OD1-N 2.88Å; D42-H45 HydrophobicContact CB-CB 4.29Å; D42-H45 PolarHBondContact O-N 2.71Å; D42-H45 PolarHBondContact OD1-N 3.03Å; D42-A46 PolarHBondContact O-N 2.84Å; D42-F52 HydrophobicContact CB-CE1 4.41Å
43W92.6Very high91.5Very high6 Ų659.1 Ų59.12%0.02328%0.284CS..Hα-helixtrans-69-22.3178.4-60.3106000113.2W37 L38 Q41 A46 A47 R56 M101 I105 Y106W37-W43 HydrophobicContact CE3-CZ2 4.49Å; W37-W43 HydrophobicContact CH2-CH2 4.05Å; W37-W43 HydrophobicContact CH2-CZ2 4.17Å; W37-W43 AromaticContact CZ3-CH2 3.87Å; W37-W43 HydrophobicContact CZ3-CH2 3.87Å; W37-W43 AromaticContact CZ3-CZ2 3.7Å; W37-W43 HydrophobicContact CZ3-CZ2 3.7Å; L38-W43 HydrophobicContact CD2-CH2 4.42Å; L38-W43 HydrophobicContact CD2-CZ2 3.68Å; L38-W43 PolarHBondContact O-NE1 2.88Å; Q41-W43 HydrophobicContact CB-CD2 4.26Å; Q41-W43 HydrophobicContact CB-CZ2 3.78Å; Q41-W43 HydrophobicContact CG-CZ2 3.75Å; Q41-W43 PolarHBondContact O-N 3.33Å; Q41-W43 VanDerWaalsContact O-N 3.12Å; W43-A46 HydrophobicContact CE3-CB 4.45Å; W43-A46 PolarHBondContact O-N 3.21Å; W43-A47 WeakPolarHBondContact O-CB 3.36Å; W43-A47 PolarHBondContact O-N 3.14Å; W43-R56 HydrophobicContact CH2-CB 4.26Å; W43-R56 HydrophobicContact CZ3-CB 4Å; W43-M101 HydrophobicContact CZ3-CE 4.05Å; W43-I105 HydrophobicContact CD2-CB 4.01Å; W43-I105 HydrophobicContact CD2-CD1 4.38Å; W43-I105 HydrophobicContact CD2-CG2 3.64Å; W43-I105 HydrophobicContact CE3-CB 4.25Å; W43-I105 HydrophobicContact CE3-CD1 4.07Å; W43-I105 HydrophobicContact CE3-CG2 4.32Å; W43-I105 HydrophobicContact CG-CB 4.28Å; W43-I105 HydrophobicContact CG-CG2 3.79Å; W43-I105 HydrophobicContact CH2-CD1 3.72Å; W43-I105 HydrophobicContact CZ2-CD1 4.05Å; W43-I105 HydrophobicContact CZ2-CG2 4.15Å; W43-I105 HydrophobicContact CZ3-CD1 3.73Å; W43-Y106 HydrophobicContact CB-CD2 4.47Å
44E90.8Very high91.5Very high96 Ų9658.1 Ų58.145%0.44929%0.285SS..Hα-helixtrans-67.2-47.1176.2-169.6165.5155.200109.9D42 A47 Y48 Y106D42-E44 PolarHBondContact O-N 3.15Å; D42-E44 PolarHBondContact OD1-N 2.88Å; E44-A47 PolarHBondContact O-N 3.3Å; E44-Y48 HydrophobicContact CG-CE2 4.42Å; E44-Y48 WeakPolarHBondContact O-CD2 3.48Å; E44-Y106 HydrophobicContact CB-CD2 3.84Å; E44-Y106 HydrophobicContact CB-CE2 3.56Å; E44-Y106 HydrophobicContact CG-CD2 4.43Å; E44-Y106 HydrophobicContact CG-CE2 3.81Å; E44-Y106 VanDerWaalsContact OE2-CE2 3.25Å; E44-Y106 WeakPolarHBondContact OE2-CE2 3.48Å; E44-Y106 PolarHBondContact OE2-OH 2.95Å
45H89.3Confident91.5Very high85 Ų8562.3 Ų62.339%0.39431%0.307SS..Hα-helixtrans-63.4-42.3174.3-176.444.7000112.2D42 A47 Y48 D49 F52D42-H45 HydrophobicContact CB-CB 4.29Å; D42-H45 PolarHBondContact O-N 2.71Å; D42-H45 PolarHBondContact OD1-N 3.03Å; H45-A47 PolarHBondContact O-N 3.19Å; H45-Y48 PolarHBondContact O-N 3.11Å; H45-Y48 VanDerWaalsContact O-N 3.12Å; H45-D49 PolarHBondContact O-N 3.2Å; H45-F52 HydrophobicContact CB-CD1 4.35Å; H45-F52 HydrophobicContact CB-CE1 4.28Å; H45-F52 AromaticContact CD2-CD1 3.4Å; H45-F52 VanDerWaalsContact CD2-CD1 3.4Å; H45-F52 WeakPolarHBondContact CD2-CD1 3.26Å; H45-F52 AromaticContact CD2-CE1 3.6Å; H45-F52 AromaticContact CD2-CG 3.79Å
46A89.9Confident91.4Very high0 Ų064.2 Ų64.20%031%0.313CS..Hα-helixtrans-64.5-24.1178.100000113.7D42 W43 Y48 F52 A53D42-A46 PolarHBondContact O-N 2.84Å; W43-A46 HydrophobicContact CE3-CB 4.45Å; W43-A46 PolarHBondContact O-N 3.21Å; A46-Y48 PolarHBondContact O-N 2.79Å; A46-F52 HydrophobicContact CB-CD1 3.73Å; A46-F52 HydrophobicContact CB-CE1 4.24Å; A46-A53 WeakPolarHBondContact O-CB 3.45Å
47A88.1Confident91.5Very high10 Ų1058 Ų588%0.08328%0.283CS..THydrogen-bonded Turntrans-72.4-13.2175.700000113.7W43 E44 H45 V99 M103W43-A47 WeakPolarHBondContact O-CB 3.36Å; W43-A47 PolarHBondContact O-N 3.14Å; E44-A47 PolarHBondContact O-N 3.3Å; H45-A47 PolarHBondContact O-N 3.19Å; A47-V99 VanDerWaalsContact O-CG1 3.22Å; A47-V99 WeakPolarHBondContact O-CG1 3.32Å; A47-M103 HydrophobicContact CB-CB 4.37Å; A47-M103 HydrophobicContact CB-SD 3.96Å
48Y85.9Confident91.4Very high181 Ų18161 Ų6171%0.7130%0.299SS*.THydrogen-bonded Turntrans-117-16179.8-60.5-74.6000114E44 H45 A46E44-Y48 HydrophobicContact CG-CE2 4.42Å; E44-Y48 WeakPolarHBondContact O-CD2 3.48Å; H45-Y48 PolarHBondContact O-N 3.11Å; H45-Y48 VanDerWaalsContact O-N 3.12Å; A46-Y48 PolarHBondContact O-N 2.79Å
49D90.4Very high91.4Very high53 Ų5363.8 Ų63.828%0.28331%0.314SS..  trans-117.1109.8180-171.3-35000111.3H45 S51 F52 A53H45-D49 PolarHBondContact O-N 3.2Å; D49-S51 VanDerWaalsContact C-N 3.3Å; D49-S51 PolarHBondContact O-N 3.42Å; D49-S51 WeakPolarHBondContact OD1-CA 3.3Å; D49-S51 WeakPolarHBondContact OD1-CB 2.88Å; D49-S51 PolarHBondContact OD1-N 3.2Å; D49-S51 PolarHBondContact OD1-OG 3.46Å; D49-F52 HydrophobicContact CB-CB 3.96Å; D49-F52 PolarHBondContact O-N 2.91Å; D49-F52 PolarHBondContact OD1-N 3.05Å; D49-A53 WeakPolarHBondContact O-CB 3.46Å; D49-A53 PolarHBondContact O-N 3.39Å
50V89.8Confident91.4Very high93 Ų9361.2 Ų61.256%0.56430%0.302SS*.Hα-helixtrans-57.7-42.2179.7-178.30000111.7F52 A53 T54 V99V50-F52 PolarHBondContact O-N 3.13Å; V50-A53 WeakPolarHBondContact O-CB 3.45Å; V50-A53 PolarHBondContact O-N 3.4Å; V50-T54 PolarHBondContact O-N 2.85Å; V50-T54 PolarHBondContact O-OG1 2.95Å; V50-V99 HydrophobicContact CB-CG2 4.16Å; V50-V99 HydrophobicContact CG1-CG2 4.47Å; V50-V99 HydrophobicContact CG2-CG2 3.76Å
51S89.4Confident91.4Very high75 Ų7554 Ų5452%0.52427%0.271SS..Hα-helixtrans-67.4-41-176.171.80000111.3D49 I55D49-S51 VanDerWaalsContact C-N 3.3Å; D49-S51 PolarHBondContact O-N 3.42Å; D49-S51 WeakPolarHBondContact OD1-CA 3.3Å; D49-S51 WeakPolarHBondContact OD1-CB 2.88Å; D49-S51 PolarHBondContact OD1-N 3.2Å; D49-S51 PolarHBondContact OD1-OG 3.46Å; S51-I55 WeakPolarHBondContact O-CG1 3.46Å; S51-I55 PolarHBondContact O-N 3.23Å
52F90.9Very high91.5Very high41 Ų4155.2 Ų55.218%0.1828%0.284CS..Hα-helixtrans-69.4-38.5176-165.5-115.9000111.7D42 H45 A46 D49 V50 I55 R56D42-F52 HydrophobicContact CB-CE1 4.41Å; H45-F52 HydrophobicContact CB-CD1 4.35Å; H45-F52 HydrophobicContact CB-CE1 4.28Å; H45-F52 AromaticContact CD2-CD1 3.4Å; H45-F52 VanDerWaalsContact CD2-CD1 3.4Å; H45-F52 WeakPolarHBondContact CD2-CD1 3.26Å; H45-F52 AromaticContact CD2-CE1 3.6Å; H45-F52 AromaticContact CD2-CG 3.79Å; A46-F52 HydrophobicContact CB-CD1 3.73Å; A46-F52 HydrophobicContact CB-CE1 4.24Å; D49-F52 HydrophobicContact CB-CB 3.96Å; D49-F52 PolarHBondContact O-N 2.91Å; D49-F52 PolarHBondContact OD1-N 3.05Å; V50-F52 PolarHBondContact O-N 3.13Å; F52-I55 PolarHBondContact O-N 3.21Å; F52-R56 HydrophobicContact CE1-CG 4.31Å; F52-R56 HydrophobicContact CZ-CG 4.49Å; F52-R56 VanDerWaalsContact CZ-NH2 3.31Å; F52-R56 WeakPolarHBondContact O-CG 3.44Å; F52-R56 PolarHBondContact O-N 3.33Å
53A90.6Very high91.6Very high0 Ų053.2 Ų53.20%027%0.271CS..Hα-helixtrans-60-46.2174.100000112.3A46 D49 V50 I55 R56 F57 P98 V99A46-A53 WeakPolarHBondContact O-CB 3.45Å; D49-A53 WeakPolarHBondContact O-CB 3.46Å; D49-A53 PolarHBondContact O-N 3.39Å; V50-A53 WeakPolarHBondContact O-CB 3.45Å; V50-A53 PolarHBondContact O-N 3.4Å; A53-I55 PolarHBondContact O-N 3.01Å; A53-R56 PolarHBondContact O-N 3.03Å; A53-F57 WeakPolarHBondContact O-CB 3.5Å; A53-F57 PolarHBondContact O-N 2.99Å; A53-P98 HydrophobicContact CB-CB 3.95Å; A53-V99 HydrophobicContact CB-CG2 3.94Å
54T91.2Very high91.7Very high50 Ų5052.9 Ų52.931%0.30727%0.27SS..Hα-helixtrans-63.1-41.1178-55.20000111.8V50 F57 H58V50-T54 PolarHBondContact O-N 2.85Å; V50-T54 PolarHBondContact O-OG1 2.95Å; T54-F57 PolarHBondContact O-N 2.73Å; T54-H58 PolarHBondContact O-CD2 3.07Å; T54-H58 VanDerWaalsContact O-CD2 3.26Å; T54-H58 PolarHBondContact O-N 3.47Å; T54-H58 VanDerWaalsContact O-N 3.16Å
55I93.3Very high91.8Very high91 Ų9151.6 Ų51.647%0.46727%0.266SS..Hα-helixtrans-60.6-50.3175.3-68.3166.9000109.9S51 F52 A53 F57 H58 D59S51-I55 WeakPolarHBondContact O-CG1 3.46Å; S51-I55 PolarHBondContact O-N 3.23Å; F52-I55 PolarHBondContact O-N 3.21Å; A53-I55 PolarHBondContact O-N 3.01Å; I55-F57 VanDerWaalsContact C-N 3.29Å; I55-F57 PolarHBondContact O-N 3.37Å; I55-H58 PolarHBondContact O-N 3.48Å; I55-D59 VanDerWaalsContact O-CG 3.28Å; I55-D59 PolarHBondContact O-N 3.28Å
56R93.4Very high92Very high47 Ų4750.9 Ų50.918%0.17727%0.265CS..Hα-helixtrans-64.7-32.2-179.3-73.3-68.8174.5-86.4-7113.4W43 F52 A53 D59 L60W43-R56 HydrophobicContact CH2-CB 4.26Å; W43-R56 HydrophobicContact CZ3-CB 4Å; F52-R56 HydrophobicContact CE1-CG 4.31Å; F52-R56 HydrophobicContact CZ-CG 4.49Å; F52-R56 VanDerWaalsContact CZ-NH2 3.31Å; F52-R56 WeakPolarHBondContact O-CG 3.44Å; F52-R56 PolarHBondContact O-N 3.33Å; A53-R56 PolarHBondContact O-N 3.03Å; R56-D59 IonicContact CZ-OD2 2.63Å; R56-D59 IonicContact NH1-OD2 2.69Å; R56-D59 PolarHBondContact NH1-OD2 3.42Å; R56-D59 PolarHBondContact O-N 3.23Å; R56-L60 WeakPolarHBondContact O-CB 3.39Å; R56-L60 PolarHBondContact O-N 2.94Å
57F93.5Very high92Very high1 Ų151.7 Ų51.70%0.00427%0.269CS..Hα-helixtrans-62.4-49.5173.1175-107.4000111.9A53 T54 I55 D59 L60 L61 F94 Q95 P98 M101A53-F57 WeakPolarHBondContact O-CB 3.5Å; A53-F57 PolarHBondContact O-N 2.99Å; T54-F57 PolarHBondContact O-N 2.73Å; I55-F57 VanDerWaalsContact C-N 3.29Å; I55-F57 PolarHBondContact O-N 3.37Å; F57-D59 VanDerWaalsContact C-N 3.34Å; F57-D59 PolarHBondContact O-N 3.42Å; F57-L60 WeakPolarHBondContact O-CB 3.34Å; F57-L60 PolarHBondContact O-N 3.22Å; F57-L61 HydrophobicContact CD1-CD1 4.15Å; F57-L61 HydrophobicContact CE1-CD1 3.63Å; F57-L61 HydrophobicContact CE1-CG 4.46Å; F57-L61 HydrophobicContact CE2-CD1 4.46Å; F57-L61 HydrophobicContact CZ-CD1 3.83Å; F57-L61 HydrophobicContact CZ-CG 4.38Å; F57-L61 WeakPolarHBondContact O-CG 3.4Å; F57-L61 PolarHBondContact O-N 3.17Å; F57-F94 HydrophobicContact CD2-CB 4.49Å; F57-F94 HydrophobicContact CE2-CB 4.01Å; F57-Q95 HydrophobicContact CE1-CB 4.02Å; F57-Q95 HydrophobicContact CE1-CG 4.26Å; F57-Q95 HydrophobicContact CZ-CB 3.99Å; F57-P98 HydrophobicContact CB-CB 4.12Å; F57-M101 HydrophobicContact CB-CE 3.94Å; F57-M101 HydrophobicContact CD2-CE 3.86Å; F57-M101 HydrophobicContact CD2-SD 3.6Å; F57-M101 HydrophobicContact CE2-SD 4.23Å; F57-M101 HydrophobicContact CG-CE 4.42Å
58H93.3Very high92.3Very high106 Ų10654.8 Ų54.849%0.49128%0.279SS..Hα-helixtrans-66.6-35.8176.8-73-61.6000112.7T54 I55 L60 L61 S62T54-H58 PolarHBondContact O-CD2 3.07Å; T54-H58 VanDerWaalsContact O-CD2 3.26Å; T54-H58 PolarHBondContact O-N 3.47Å; T54-H58 VanDerWaalsContact O-N 3.16Å; I55-H58 PolarHBondContact O-N 3.48Å; H58-L60 VanDerWaalsContact C-N 3.34Å; H58-L60 PolarHBondContact O-N 2.84Å; H58-L61 PolarHBondContact O-N 2.92Å; H58-S62 PolarHBondContact O-N 3.26Å
59D94.3Very high92.6Very high60 Ų6049.4 Ų49.432%0.32127%0.268SS..Hα-helixtrans-59.7-45.1172.5-66.9-29000111W37 I55 R56 F57 L61 S62 Q63W37-D59 HydrophobicContact CH2-CB 4.05Å; W37-D59 HydrophobicContact CZ2-CB 3.58Å; I55-D59 VanDerWaalsContact O-CG 3.28Å; I55-D59 PolarHBondContact O-N 3.28Å; R56-D59 IonicContact CZ-OD2 2.63Å; R56-D59 IonicContact NH1-OD2 2.69Å; R56-D59 PolarHBondContact NH1-OD2 3.42Å; R56-D59 PolarHBondContact O-N 3.23Å; F57-D59 VanDerWaalsContact C-N 3.34Å; F57-D59 PolarHBondContact O-N 3.42Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.46Å; D59-S62 WeakPolarHBondContact O-CB 3.3Å; D59-S62 PolarHBondContact O-N 3.04Å; D59-Q63 WeakPolarHBondContact O-CG 3.49Å; D59-Q63 PolarHBondContact O-N 2.87Å
60L94.2Very high92.7Very high1 Ų152.9 Ų52.91%0.00528%0.277CS..Hα-helixtrans-60.8-42.4177.3176.559.5000111.8I30 L34 W37 L38 R56 F57 H58 S62 Q63 L64 L90 M101 I105I30-L60 HydrophobicContact CG2-CD1 4.06Å; L34-L60 HydrophobicContact CD1-CD1 4.05Å; W37-L60 HydrophobicContact CE3-CD1 4.18Å; W37-L60 HydrophobicContact CH2-CB 3.86Å; W37-L60 HydrophobicContact CZ3-CB 3.83Å; W37-L60 HydrophobicContact CZ3-CD1 3.75Å; W37-L60 HydrophobicContact CZ3-CG 4.32Å; L38-L60 HydrophobicContact CD2-CD1 4.16Å; R56-L60 WeakPolarHBondContact O-CB 3.39Å; R56-L60 PolarHBondContact O-N 2.94Å; F57-L60 WeakPolarHBondContact O-CB 3.34Å; F57-L60 PolarHBondContact O-N 3.22Å; H58-L60 VanDerWaalsContact C-N 3.34Å; H58-L60 PolarHBondContact O-N 2.84Å; L60-S62 VanDerWaalsContact C-N 3.33Å; L60-S62 PolarHBondContact O-N 2.79Å; L60-Q63 PolarHBondContact O-N 2.9Å; L60-L64 WeakPolarHBondContact O-CG 3.34Å; L60-L64 PolarHBondContact O-N 3.26Å; L60-L90 HydrophobicContact CD2-CD1 3.8Å; L60-L90 HydrophobicContact CG-CD1 4.36Å; L60-M101 HydrophobicContact CD2-CE 4.38Å; L60-M101 HydrophobicContact CD2-SD 3.82Å; L60-I105 HydrophobicContact CD2-CD1 4.33Å
61L93.6Very high92.8Very high11 Ų1149 Ų496%0.05825%0.253CS..Hα-helixtrans-63-39.4175.7-66.5177.8000112.2F57 H58 D59 L64 D65 K87 Q91F57-L61 HydrophobicContact CD1-CD1 4.15Å; F57-L61 HydrophobicContact CE1-CD1 3.63Å; F57-L61 HydrophobicContact CE1-CG 4.46Å; F57-L61 HydrophobicContact CE2-CD1 4.46Å; F57-L61 HydrophobicContact CZ-CD1 3.83Å; F57-L61 HydrophobicContact CZ-CG 4.38Å; F57-L61 WeakPolarHBondContact O-CG 3.4Å; F57-L61 PolarHBondContact O-N 3.17Å; H58-L61 PolarHBondContact O-N 2.92Å; D59-L61 VanDerWaalsContact C-N 3.34Å; D59-L61 PolarHBondContact O-N 3.46Å; L61-L64 HydrophobicContact CD2-CD1 4.4Å; L61-L64 WeakPolarHBondContact O-CB 3.37Å; L61-L64 PolarHBondContact O-N 3.38Å; L61-D65 PolarHBondContact O-N 3.1Å; L61-D65 VanDerWaalsContact O-N 3.12Å; L61-K87 HydrophobicContact CD2-CG 3.77Å; L61-Q91 HydrophobicContact CD1-CG 3.86Å; L61-Q91 HydrophobicContact CD2-CG 3.63Å; L61-Q91 HydrophobicContact CG-CG 4.43Å
62S94.5Very high92.8Very high62 Ų6247.4 Ų47.443%0.43424%0.241SC..Hα-helixtrans-64.6-41.2174.5-1720000111.4H58 D59 L60 L64 D65 D66H58-S62 PolarHBondContact O-N 3.26Å; D59-S62 WeakPolarHBondContact O-CB 3.3Å; D59-S62 PolarHBondContact O-N 3.04Å; L60-S62 VanDerWaalsContact C-N 3.33Å; L60-S62 PolarHBondContact O-N 2.79Å; S62-L64 VanDerWaalsContact C-N 3.27Å; S62-L64 PolarHBondContact O-N 2.82Å; S62-D65 WeakPolarHBondContact O-CB 3.27Å; S62-D65 PolarHBondContact O-N 3.34Å; S62-D65 VanDerWaalsContact O-N 3.15Å; S62-D66 PolarHBondContact O-N 3.39Å
63Q95Very high92.9Very high48 Ų4852.4 Ų52.422%0.22427%0.269CS..Hα-helixtrans-64.4-33.6176-66.4-63.3-57.200111.9L34 W37 D59 L60 D65 D66 Q67L34-Q63 HydrophobicContact CD2-CB 3.32Å; L34-Q63 HydrophobicContact CD2-CG 4.26Å; W37-Q63 HydrophobicContact CD2-CG 3.92Å; W37-Q63 HydrophobicContact CG-CG 4.02Å; W37-Q63 HydrophobicContact CZ2-CG 4.4Å; D59-Q63 WeakPolarHBondContact O-CG 3.49Å; D59-Q63 PolarHBondContact O-N 2.87Å; L60-Q63 PolarHBondContact O-N 2.9Å; Q63-D65 VanDerWaalsContact C-N 3.35Å; Q63-D66 PolarHBondContact O-N 3.43Å; Q63-Q67 VanDerWaalsContact O-CG 3.31Å; Q63-Q67 WeakPolarHBondContact O-CG 3.39Å; Q63-Q67 PolarHBondContact O-N 3.06Å
64L93.9Very high92.9Very high0 Ų058.6 Ų58.60%030%0.298CS..Hα-helixtrans-66.3-35.1173.1-73.9166.5000112.5I30 L34 L60 L61 S62 Q67 Y68 I83 K87 L90I30-L64 HydrophobicContact CD1-CD1 4.23Å; I30-L64 HydrophobicContact CD1-CD2 4.38Å; I30-L64 HydrophobicContact CG1-CD2 4.18Å; I30-L64 HydrophobicContact CG2-CD2 4.44Å; L34-L64 HydrophobicContact CD1-CD2 3.5Å; L34-L64 HydrophobicContact CD1-CG 3.95Å; L60-L64 WeakPolarHBondContact O-CG 3.34Å; L60-L64 PolarHBondContact O-N 3.26Å; L61-L64 HydrophobicContact CD2-CD1 4.4Å; L61-L64 WeakPolarHBondContact O-CB 3.37Å; L61-L64 PolarHBondContact O-N 3.38Å; S62-L64 VanDerWaalsContact C-N 3.27Å; S62-L64 PolarHBondContact O-N 2.82Å; L64-Q67 PolarHBondContact O-N 3.39Å; L64-Y68 WeakPolarHBondContact O-CB 3.44Å; L64-Y68 PolarHBondContact O-N 3.07Å; L64-I83 HydrophobicContact CD2-CD1 3.89Å; L64-I83 HydrophobicContact CD2-CG2 4.23Å; L64-K87 HydrophobicContact CB-CG 4.42Å; L64-K87 HydrophobicContact CD1-CB 4.08Å; L64-K87 HydrophobicContact CD1-CG 4.13Å; L64-L90 HydrophobicContact CD1-CD1 4.01Å
65D93.3Very high92.7Very high68 Ų6862.7 Ų62.736%0.36432%0.318SS..Hα-helixtrans-66.7-39.3173.9-72.5-35.3000112.2L61 S62 Q63 Y68 S69 K87L61-D65 PolarHBondContact O-N 3.1Å; L61-D65 VanDerWaalsContact O-N 3.12Å; S62-D65 WeakPolarHBondContact O-CB 3.27Å; S62-D65 PolarHBondContact O-N 3.34Å; S62-D65 VanDerWaalsContact O-N 3.15Å; Q63-D65 VanDerWaalsContact C-N 3.35Å; D65-Y68 PolarHBondContact O-N 3.19Å; D65-S69 PolarHBondContact O-N 3.03Å; D65-S69 PolarHBondContact O-OG 3.29Å; D65-K87 IonicContact OD1-NZ 2.71Å; D65-K87 PolarHBondContact OD1-NZ 2.98Å; D65-K87 IonicContact OD2-NZ 3.37Å; D65-K87 PolarHBondContact OD2-NZ 3.1Å
66D93.6Very high92.6Very high70 Ų7061 Ų6137%0.37431%0.31SS..Hα-helixtrans-62.5-44173.5-70.2-20000111S62 Q63 S69 R70S62-D66 PolarHBondContact O-N 3.39Å; Q63-D66 PolarHBondContact O-N 3.43Å; D66-S69 WeakPolarHBondContact O-CB 3.48Å; D66-S69 PolarHBondContact O-N 2.97Å; D66-R70 WeakPolarHBondContact O-CG 3.35Å; D66-R70 PolarHBondContact O-N 2.69Å
67Q90.9Very high92.4Very high18 Ų1866.6 Ų66.68%0.08434%0.336CS..Hα-helixtrans-65.9-39.8176.6-66.5-63.8-1200112.3Y33 L34 Q63 L64 S69 R70 F71Y33-Q67 PolarHBondContact O-NE2 3Å; L34-Q67 HydrophobicContact CD2-CG 4.01Å; L34-Q67 HydrophobicContact CG-CG 4.28Å; Q63-Q67 VanDerWaalsContact O-CG 3.31Å; Q63-Q67 WeakPolarHBondContact O-CG 3.39Å; Q63-Q67 PolarHBondContact O-N 3.06Å; L64-Q67 PolarHBondContact O-N 3.39Å; Q67-S69 VanDerWaalsContact C-N 3.27Å; Q67-S69 PolarHBondContact O-N 3.39Å; Q67-R70 WeakPolarHBondContact O-CB 3.38Å; Q67-R70 PolarHBondContact O-N 2.63Å; Q67-F71 HydrophobicContact CB-CE2 4.44Å; Q67-F71 VanDerWaalsContact O-CD2 3.3Å; Q67-F71 WeakPolarHBondContact O-CD2 3.43Å; Q67-F71 WeakPolarHBondContact O-CG 3.34Å; Q67-F71 PolarHBondContact O-N 3.37Å
68Y92.8Very high92.3Very high75 Ų7571.8 Ų71.829%0.29436%0.363SS..Hα-helixtrans-58.7-41.7174179.7-97.5000111.6L64 D65 F71 S72 Q80 R84L64-Y68 WeakPolarHBondContact O-CB 3.44Å; L64-Y68 PolarHBondContact O-N 3.07Å; D65-Y68 PolarHBondContact O-N 3.19Å; Y68-F71 PolarHBondContact O-N 3.15Å; Y68-S72 WeakPolarHBondContact O-CB 3.36Å; Y68-S72 PolarHBondContact O-N 3.12Å; Y68-S72 PolarHBondContact O-OG 2.81Å; Y68-Q80 HydrophobicContact CD2-CB 4.28Å; Y68-Q80 HydrophobicContact CD2-CG 4.45Å; Y68-Q80 HydrophobicContact CE2-CB 3.79Å; Y68-Q80 HydrophobicContact CE2-CG 4.14Å; Y68-R84 HydrophobicContact CE2-CB 4.45Å
69S92.6Very high92.2Very high67 Ų6768 Ų6847%0.46935%0.346SS..Hα-helixtrans-65.3-39.8176.6-58.20000111.9D65 D66 Q67 S72 L73D65-S69 PolarHBondContact O-N 3.03Å; D65-S69 PolarHBondContact O-OG 3.29Å; D66-S69 WeakPolarHBondContact O-CB 3.48Å; D66-S69 PolarHBondContact O-N 2.97Å; Q67-S69 VanDerWaalsContact C-N 3.27Å; Q67-S69 PolarHBondContact O-N 3.39Å; S69-S72 WeakPolarHBondContact O-CB 3.4Å; S69-S72 PolarHBondContact O-N 3.02Å; S69-L73 PolarHBondContact O-N 3.39Å; S69-L73 VanDerWaalsContact O-N 3.11Å
70R92.3Very high92Very high126 Ų12666.6 Ų66.648%0.47534%0.338SS..Hα-helixtrans-61.3-46.7174-68.3172.5-167.7178.74.1112D66 Q67 S72 L73 E74D66-R70 WeakPolarHBondContact O-CG 3.35Å; D66-R70 PolarHBondContact O-N 2.69Å; Q67-R70 WeakPolarHBondContact O-CB 3.38Å; Q67-R70 PolarHBondContact O-N 2.63Å; R70-S72 PolarHBondContact O-N 2.87Å; R70-L73 WeakPolarHBondContact O-CB 3.28Å; R70-L73 PolarHBondContact O-N 2.98Å; R70-L73 VanDerWaalsContact O-N 3.14Å; R70-E74 PolarHBondContact O-N 3.21Å
71F92.3Very high91.8Very high12 Ų1271.8 Ų71.85%0.05336%0.362CS..Hα-helixtrans-67.4-23.7176.3-62.4-39.7000113.6Y33 Q67 Y68 N75 N76 L79 Q80 I83Y33-F71 HydrophobicContact CD1-CE1 4.44Å; Y33-F71 AromaticContact CD1-CZ 3.65Å; Y33-F71 HydrophobicContact CD1-CZ 3.65Å; Y33-F71 HydrophobicContact CD2-CE2 4.28Å; Y33-F71 HydrophobicContact CD2-CZ 4.04Å; Y33-F71 HydrophobicContact CE1-CE1 4.19Å; Y33-F71 AromaticContact CE1-CZ 3.63Å; Y33-F71 HydrophobicContact CE1-CZ 3.63Å; Y33-F71 HydrophobicContact CE2-CE2 4.4Å; Y33-F71 HydrophobicContact CE2-CZ 4.04Å; Y33-F71 HydrophobicContact CG-CE2 4.4Å; Y33-F71 AromaticContact CG-CZ 3.87Å; Y33-F71 HydrophobicContact CG-CZ 3.87Å; Y33-F71 AromaticContact CZ-CZ 3.85Å; Q67-F71 HydrophobicContact CB-CE2 4.44Å; Q67-F71 VanDerWaalsContact O-CD2 3.3Å; Q67-F71 WeakPolarHBondContact O-CD2 3.43Å; Q67-F71 WeakPolarHBondContact O-CG 3.34Å; Q67-F71 PolarHBondContact O-N 3.37Å; Y68-F71 PolarHBondContact O-N 3.15Å; F71-N75 PolarHBondContact O-N 3.22Å; F71-N76 PolarHBondContact O-N 3.45Å; F71-L79 HydrophobicContact CB-CB 4.38Å; F71-L79 HydrophobicContact CD1-CB 4.05Å; F71-L79 HydrophobicContact CD1-CD1 3.89Å; F71-L79 HydrophobicContact CD2-CB 3.76Å; F71-L79 HydrophobicContact CE1-CB 4.27Å; F71-L79 HydrophobicContact CE1-CD1 3.57Å; F71-L79 HydrophobicContact CE2-CB 3.98Å; F71-L79 HydrophobicContact CE2-CD1 4.48Å; F71-L79 HydrophobicContact CG-CB 3.81Å; F71-L79 HydrophobicContact CZ-CB 4.23Å; F71-L79 HydrophobicContact CZ-CD1 3.9Å; F71-Q80 HydrophobicContact CB-CG 3.7Å; F71-Q80 PolarHBondContact O-NE2 3.03Å; F71-I83 HydrophobicContact CD2-CG1 3.95Å; F71-I83 HydrophobicContact CE2-CD1 4.4Å; F71-I83 HydrophobicContact CE2-CG1 3.6Å
72S89.8Confident91.6Very high41 Ų4173.5 Ų73.529%0.28737%0.371SS..Hα-helixtrans-68.2-40.8171.5-58.90000111.8Y68 S69 R70 E74 N75Y68-S72 WeakPolarHBondContact O-CB 3.36Å; Y68-S72 PolarHBondContact O-N 3.12Å; Y68-S72 PolarHBondContact O-OG 2.81Å; S69-S72 WeakPolarHBondContact O-CB 3.4Å; S69-S72 PolarHBondContact O-N 3.02Å; R70-S72 PolarHBondContact O-N 2.87Å; S72-E74 VanDerWaalsContact C-N 3.31Å; S72-E74 PolarHBondContact O-N 2.97Å; S72-N75 PolarHBondContact O-N 3.46Å
73L92.5Very high91.5Very high147 Ų14770.7 Ų70.777%0.7735%0.351SS*.Hα-helixtrans-64-36.8174.4-64.3171.4000112.3S69 R70 N75S69-L73 PolarHBondContact O-N 3.39Å; S69-L73 VanDerWaalsContact O-N 3.11Å; R70-L73 WeakPolarHBondContact O-CB 3.28Å; R70-L73 PolarHBondContact O-N 2.98Å; R70-L73 VanDerWaalsContact O-N 3.14Å; L73-N75 VanDerWaalsContact C-N 3.25Å; L73-N75 PolarHBondContact O-N 3Å
74E89.9Confident91.3Very high129 Ų12975.8 Ų75.860%0.60337%0.369SS*.THydrogen-bonded Turntrans-79.4-3.8178-65.8175.3178.600113.6R70 S72 N76R70-E74 PolarHBondContact O-N 3.21Å; S72-E74 VanDerWaalsContact C-N 3.31Å; S72-E74 PolarHBondContact O-N 2.97Å; E74-N76 HydrophobicContact CB-CB 4.42Å; E74-N76 PolarHBondContact O-N 3.45Å; E74-N76 VanDerWaalsContact O-N 3.13Å
75N88.6Confident91.2Very high137 Ų13781.5 Ų81.573%0.73339%0.393SS*.THydrogen-bonded Turntrans51.628.3-171.5-64-60.7000113.8F71 S72 L73 F77F71-N75 PolarHBondContact O-N 3.22Å; S72-N75 PolarHBondContact O-N 3.46Å; L73-N75 VanDerWaalsContact C-N 3.25Å; L73-N75 PolarHBondContact O-N 3Å; N75-F77 PolarHBondContact O-N 3.16Å
76N89.6Confident91Very high56 Ų5678.8 Ų78.830%0.29938%0.379SS..  trans-81.384179.6-165.7-37.5000110.5F71 E74 L78 L79 Q80F71-N76 PolarHBondContact O-N 3.45Å; E74-N76 HydrophobicContact CB-CB 4.42Å; E74-N76 PolarHBondContact O-N 3.45Å; E74-N76 VanDerWaalsContact O-N 3.13Å; N76-L78 PolarHBondContact O-N 3.26Å; N76-L78 PolarHBondContact OD1-N 3.01Å; N76-L79 HydrophobicContact CB-CB 4.33Å; N76-L79 VanDerWaalsContact ND2-CD1 3.34Å; N76-L79 WeakPolarHBondContact ND2-CD1 3.23Å; N76-L79 PolarHBondContact O-N 3.11Å; N76-L79 WeakPolarHBondContact OD1-CG 3.38Å; N76-L79 PolarHBondContact OD1-N 3.01Å; N76-L79 VanDerWaalsContact OD1-N 3.12Å; N76-Q80 WeakPolarHBondContact O-CG 3.14Å; N76-Q80 PolarHBondContact O-N 3.49Å
77F91.2Very high90.9Very high164 Ų16477.2 Ų77.272%0.71937%0.369SS*.Hα-helixtrans-55.3-38.5-176.7-179.6-100.7000113.3N75 H81N75-F77 PolarHBondContact O-N 3.16Å; F77-H81 WeakPolarHBondContact O-CB 3.27Å; F77-H81 PolarHBondContact O-N 3.24Å
78L91.1Very high90.9Very high110 Ų11083.1 Ų83.158%0.57639%0.391SS*.Hα-helixtrans-64.9-50.5-179.4-179.464.1000111.2N76 Q80 H81 N82N76-L78 PolarHBondContact O-N 3.26Å; N76-L78 PolarHBondContact OD1-N 3.01Å; L78-Q80 VanDerWaalsContact C-N 3.35Å; L78-Q80 PolarHBondContact O-N 3.28Å; L78-H81 PolarHBondContact O-N 3.47Å; L78-N82 VanDerWaalsContact O-CG 3.29Å; L78-N82 PolarHBondContact O-N 3.13Å
79L90.3Very high90.7Very high25 Ų2581.7 Ų81.713%0.13139%0.388CS..Hα-helixtrans-68.6-34.9-179.1-64.4-175.9000112.3Y33 F71 N76 N82 I83Y33-L79 HydrophobicContact CE1-CD1 4.49Å; Y33-L79 HydrophobicContact CE2-CD2 4.15Å; Y33-L79 VanDerWaalsContact OH-CD1 3.32Å; Y33-L79 WeakPolarHBondContact OH-CD1 3.43Å; Y33-L79 WeakPolarHBondContact OH-CD2 3.42Å; F71-L79 HydrophobicContact CB-CB 4.38Å; F71-L79 HydrophobicContact CD1-CB 4.05Å; F71-L79 HydrophobicContact CD1-CD1 3.89Å; F71-L79 HydrophobicContact CD2-CB 3.76Å; F71-L79 HydrophobicContact CE1-CB 4.27Å; F71-L79 HydrophobicContact CE1-CD1 3.57Å; F71-L79 HydrophobicContact CE2-CB 3.98Å; F71-L79 HydrophobicContact CE2-CD1 4.48Å; F71-L79 HydrophobicContact CG-CB 3.81Å; F71-L79 HydrophobicContact CZ-CB 4.23Å; F71-L79 HydrophobicContact CZ-CD1 3.9Å; N76-L79 HydrophobicContact CB-CB 4.33Å; N76-L79 VanDerWaalsContact ND2-CD1 3.34Å; N76-L79 WeakPolarHBondContact ND2-CD1 3.23Å; N76-L79 PolarHBondContact O-N 3.11Å; N76-L79 WeakPolarHBondContact OD1-CG 3.38Å; N76-L79 PolarHBondContact OD1-N 3.01Å; N76-L79 VanDerWaalsContact OD1-N 3.12Å; L79-N82 PolarHBondContact O-N 3.41Å; L79-I83 WeakPolarHBondContact O-CB 3.43Å; L79-I83 PolarHBondContact O-N 3.46Å
80Q90.2Very high90.5Very high32 Ų3278.5 Ų78.515%0.1537%0.366CS..Hα-helixtrans-59.5-46.5171.1-74.2175.644.200111.8Y68 F71 N76 L78 R84Y68-Q80 HydrophobicContact CD2-CB 4.28Å; Y68-Q80 HydrophobicContact CD2-CG 4.45Å; Y68-Q80 HydrophobicContact CE2-CB 3.79Å; Y68-Q80 HydrophobicContact CE2-CG 4.14Å; F71-Q80 HydrophobicContact CB-CG 3.7Å; F71-Q80 PolarHBondContact O-NE2 3.03Å; N76-Q80 WeakPolarHBondContact O-CG 3.14Å; N76-Q80 PolarHBondContact O-N 3.49Å; L78-Q80 VanDerWaalsContact C-N 3.35Å; L78-Q80 PolarHBondContact O-N 3.28Å; Q80-R84 VanDerWaalsContact O-CB 3.27Å; Q80-R84 WeakPolarHBondContact O-CB 3.47Å; Q80-R84 PolarHBondContact O-N 3.12Å; Q80-R84 VanDerWaalsContact O-N 3.11Å
81H89.8Confident90.3Very high110 Ų11075.4 Ų75.451%0.50936%0.357SS..Hα-helixtrans-62.8-46.6177.9-176.684.7000111.5F77 L78 R84 K85F77-H81 WeakPolarHBondContact O-CB 3.27Å; F77-H81 PolarHBondContact O-N 3.24Å; L78-H81 PolarHBondContact O-N 3.47Å; H81-R84 PolarHBondContact O-N 3.43Å; H81-K85 PolarHBondContact O-N 2.9Å
82N90.2Very high90.1Very high47 Ų4780.5 Ų80.525%0.25139%0.385SS..Hα-helixtrans-63.4-51.5-178.7-70.1-9.5000111.6L78 L79 R84 K85 S86L78-N82 VanDerWaalsContact O-CG 3.29Å; L78-N82 PolarHBondContact O-N 3.13Å; L79-N82 PolarHBondContact O-N 3.41Å; N82-R84 VanDerWaalsContact C-N 3.28Å; N82-R84 PolarHBondContact O-N 2.97Å; N82-K85 WeakPolarHBondContact O-CB 3.43Å; N82-K85 PolarHBondContact O-N 3.21Å; N82-S86 PolarHBondContact O-N 3.49Å; N82-S86 PolarHBondContact O-OG 3.3Å
83I91.6Very high89.9Confident2 Ų282.9 Ų82.91%0.0139%0.394CS..Hα-helixtrans-58.9-40.4177.6-76.8-59.5000111.8Y33 L64 F71 L79 K85 S86 K87Y33-I83 HydrophobicContact CD2-CD1 4.24Å; L64-I83 HydrophobicContact CD2-CD1 3.89Å; L64-I83 HydrophobicContact CD2-CG2 4.23Å; F71-I83 HydrophobicContact CD2-CG1 3.95Å; F71-I83 HydrophobicContact CE2-CD1 4.4Å; F71-I83 HydrophobicContact CE2-CG1 3.6Å; L79-I83 WeakPolarHBondContact O-CB 3.43Å; L79-I83 PolarHBondContact O-N 3.46Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 2.98Å; I83-S86 PolarHBondContact O-N 3.39Å; I83-K87 WeakPolarHBondContact O-CB 3.44Å; I83-K87 PolarHBondContact O-N 2.85Å
84R91.2Very high89.7Confident156 Ų15676.1 Ų76.159%0.58936%0.359SS*.Hα-helixtrans-61.7-39.5177.2-173.1177.2-176.3176.72.7111.9Y68 Q80 H81 N82 R88Y68-R84 HydrophobicContact CE2-CB 4.45Å; Q80-R84 VanDerWaalsContact O-CB 3.27Å; Q80-R84 WeakPolarHBondContact O-CB 3.47Å; Q80-R84 PolarHBondContact O-N 3.12Å; Q80-R84 VanDerWaalsContact O-N 3.11Å; H81-R84 PolarHBondContact O-N 3.43Å; N82-R84 VanDerWaalsContact C-N 3.28Å; N82-R84 PolarHBondContact O-N 2.97Å; R84-R88 PolarHBondContact O-N 2.74Å
85K91.4Very high89.7Confident120 Ų12074.9 Ų74.952%0.52235%0.353SS..Hα-helixtrans-69-47.8175.2-171.2-174176.7-165.70111.3H81 N82 I83 K87 R88 N89H81-K85 PolarHBondContact O-N 2.9Å; N82-K85 WeakPolarHBondContact O-CB 3.43Å; N82-K85 PolarHBondContact O-N 3.21Å; I83-K85 VanDerWaalsContact C-N 3.29Å; I83-K85 PolarHBondContact O-N 2.98Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 2.98Å; K85-R88 PolarHBondContact O-N 3.48Å; K85-R88 VanDerWaalsContact O-N 3.15Å; K85-N89 PolarHBondContact O-N 3.33Å
86S90.3Very high89.6Confident10 Ų1076.8 Ų76.87%0.0736%0.357CS..Hα-helixtrans-60.5-39.5179.4-54.70000111.9N82 I83 N89 L90N82-S86 PolarHBondContact O-N 3.49Å; N82-S86 PolarHBondContact O-OG 3.3Å; I83-S86 PolarHBondContact O-N 3.39Å; S86-N89 PolarHBondContact O-N 3.01Å; S86-L90 PolarHBondContact O-N 2.87Å
87K91.2Very high89.5Confident38 Ų3877.5 Ų77.517%0.16536%0.361CS..Hα-helixtrans-60.7-48.9173-171.7-172.4-176.4-174.90111.7L61 L64 D65 I83 K85 N89 L90 Q91L61-K87 HydrophobicContact CD2-CG 3.77Å; L64-K87 HydrophobicContact CB-CG 4.42Å; L64-K87 HydrophobicContact CD1-CB 4.08Å; L64-K87 HydrophobicContact CD1-CG 4.13Å; D65-K87 IonicContact OD1-NZ 2.71Å; D65-K87 PolarHBondContact OD1-NZ 2.98Å; D65-K87 IonicContact OD2-NZ 3.37Å; D65-K87 PolarHBondContact OD2-NZ 3.1Å; I83-K87 WeakPolarHBondContact O-CB 3.44Å; I83-K87 PolarHBondContact O-N 2.85Å; K85-K87 VanDerWaalsContact C-N 3.3Å; K85-K87 PolarHBondContact O-N 2.98Å; K87-N89 PolarHBondContact O-N 2.64Å; K87-L90 PolarHBondContact O-N 2.7Å; K87-Q91 WeakPolarHBondContact O-CG 3.47Å; K87-Q91 PolarHBondContact O-N 3.09Å
88R90.2Very high89.4Confident141 Ų14170.1 Ų70.153%0.53233%0.33SS..Hα-helixtrans-60.4-45.7178.5-177.4-179.4-71.6162.9-6.6111.4R84 K85 L90 Q91 D92R84-R88 PolarHBondContact O-N 2.74Å; K85-R88 PolarHBondContact O-N 3.48Å; K85-R88 VanDerWaalsContact O-N 3.15Å; R88-L90 VanDerWaalsContact C-N 3.34Å; R88-L90 PolarHBondContact O-N 3.13Å; R88-Q91 WeakPolarHBondContact O-CB 3.5Å; R88-Q91 PolarHBondContact O-N 2.96Å; R88-Q91 VanDerWaalsContact O-N 3.13Å; R88-D92 WeakPolarHBondContact CG-OD2 3.35Å; R88-D92 VanDerWaalsContact O-CG 3.31Å; R88-D92 PolarHBondContact O-N 3.04Å
89N88.1Confident89.3Confident45 Ų4566.5 Ų66.524%0.24131%0.312CS..Hα-helixtrans-59.8-43.3177.5-76.19.2000112.1K85 S86 K87 Q91 N93K85-N89 PolarHBondContact O-N 3.33Å; S86-N89 PolarHBondContact O-N 3.01Å; K87-N89 PolarHBondContact O-N 2.64Å; N89-Q91 VanDerWaalsContact C-N 3.32Å; N89-Q91 PolarHBondContact O-N 3.37Å; N89-N93 VanDerWaalsContact O-CB 3.28Å; N89-N93 WeakPolarHBondContact O-CB 3.47Å; N89-N93 VanDerWaalsContact O-CG 3.26Å; N89-N93 PolarHBondContact O-N 3.2Å; N89-N93 VanDerWaalsContact O-N 3.1Å; N89-N93 PolarHBondContact O-ND2 2.81Å
90L88.1Confident89.2Confident1 Ų170 Ų701%0.00533%0.328CS..Hα-helixtrans-63-39.7175.1-80.1-172.9000112.1F26 I30 L60 L64 S86 K87 R88 F94F26-L90 HydrophobicContact CD2-CD2 4.32Å; I30-L90 HydrophobicContact CD1-CD1 3.23Å; I30-L90 HydrophobicContact CD1-CD2 4.42Å; I30-L90 HydrophobicContact CD1-CG 3.69Å; L60-L90 HydrophobicContact CD2-CD1 3.8Å; L60-L90 HydrophobicContact CG-CD1 4.36Å; L64-L90 HydrophobicContact CD1-CD1 4.01Å; S86-L90 PolarHBondContact O-N 2.87Å; K87-L90 PolarHBondContact O-N 2.7Å; R88-L90 VanDerWaalsContact C-N 3.34Å; R88-L90 PolarHBondContact O-N 3.13Å; L90-F94 HydrophobicContact CD2-CD2 3.63Å; L90-F94 HydrophobicContact CD2-CE2 3.65Å; L90-F94 PolarHBondContact O-N 3.2Å
91Q88.8Confident89.3Confident60 Ų6068.6 Ų68.628%0.2832%0.321SS..Hα-helixtrans-62-53.9176.9-72.6179.5-51.700111.4L61 K87 R88 N89 N93 Q95L61-Q91 HydrophobicContact CD1-CG 3.86Å; L61-Q91 HydrophobicContact CD2-CG 3.63Å; L61-Q91 HydrophobicContact CG-CG 4.43Å; K87-Q91 WeakPolarHBondContact O-CG 3.47Å; K87-Q91 PolarHBondContact O-N 3.09Å; R88-Q91 WeakPolarHBondContact O-CB 3.5Å; R88-Q91 PolarHBondContact O-N 2.96Å; R88-Q91 VanDerWaalsContact O-N 3.13Å; N89-Q91 VanDerWaalsContact C-N 3.32Å; N89-Q91 PolarHBondContact O-N 3.37Å; Q91-N93 VanDerWaalsContact C-N 3.26Å; Q91-N93 PolarHBondContact O-N 3.5Å; Q91-Q95 WeakPolarHBondContact O-CB 3.36Å; Q91-Q95 PolarHBondContact O-N 3.26Å; Q91-Q95 VanDerWaalsContact O-N 3.1Å
92D88.1Confident89.3Confident120 Ų12063.3 Ų63.364%0.64230%0.297SS*.Hα-helixtrans-64.6-31.2-175.7-62-19.3000112.4R88R88-D92 WeakPolarHBondContact CG-OD2 3.35Å; R88-D92 VanDerWaalsContact O-CG 3.31Å; R88-D92 PolarHBondContact O-N 3.04Å
93N85Confident89.3Confident90 Ų9064.8 Ų64.848%0.48130%0.303SS..Hα-helixtrans-90.1-30.8-175.6-70.4-22.4000114.8N89 Q91N89-N93 VanDerWaalsContact O-CB 3.28Å; N89-N93 WeakPolarHBondContact O-CB 3.47Å; N89-N93 VanDerWaalsContact O-CG 3.26Å; N89-N93 PolarHBondContact O-N 3.2Å; N89-N93 VanDerWaalsContact O-N 3.1Å; N89-N93 PolarHBondContact O-ND2 2.81Å; Q91-N93 VanDerWaalsContact C-N 3.26Å; Q91-N93 PolarHBondContact O-N 3.5Å
94F90.1Very high89.2Confident6 Ų666.3 Ų66.33%0.02631%0.311CS..Hα-helixtrans-129.1-0.1-167.8-55.2-68.3000115S25 F57 L90 E96 D97 P98 Q100 M101 I104S25-F94 WeakPolarHBondContact O-CE2 3.32Å; S25-F94 WeakPolarHBondContact O-CZ 3.44Å; F57-F94 HydrophobicContact CD2-CB 4.49Å; F57-F94 HydrophobicContact CE2-CB 4.01Å; L90-F94 HydrophobicContact CD2-CD2 3.63Å; L90-F94 HydrophobicContact CD2-CE2 3.65Å; L90-F94 PolarHBondContact O-N 3.2Å; F94-E96 VanDerWaalsContact C-N 3.25Å; F94-E96 PolarHBondContact O-N 3.18Å; F94-D97 CarbonylContact O-C 3.56Å; F94-D97 PolarHBondContact O-N 2.95Å; F94-P98 WeakPolarHBondContact O-CA 3.31Å; F94-P98 WeakPolarHBondContact O-CD 3.47Å; F94-P98 VanDerWaalsContact O-N 3.11Å; F94-Q100 HydrophobicContact CE1-CG 4.33Å; F94-M101 HydrophobicContact CB-CB 3.84Å; F94-M101 HydrophobicContact CB-CG 4.39Å; F94-M101 HydrophobicContact CD1-CB 3.74Å; F94-M101 HydrophobicContact CD1-CG 4.49Å; F94-M101 HydrophobicContact CD2-CB 4.18Å; F94-M101 HydrophobicContact CD2-CG 4.11Å; F94-M101 HydrophobicContact CE1-CB 4.33Å; F94-M101 HydrophobicContact CG-CB 3.65Å; F94-M101 HydrophobicContact CG-CG 4.08Å; F94-I104 HydrophobicContact CE1-CD1 3.58Å; F94-I104 HydrophobicContact CZ-CD1 3.66Å
95Q88.6Confident89.2Confident103 Ų10359 Ų5948%0.48128%0.284SS..SBendtrans-62.7-35.7176.7-179.3172.2-35.500112.1F57 Q91F57-Q95 HydrophobicContact CE1-CB 4.02Å; F57-Q95 HydrophobicContact CE1-CG 4.26Å; F57-Q95 HydrophobicContact CZ-CB 3.99Å; Q91-Q95 WeakPolarHBondContact O-CB 3.36Å; Q91-Q95 PolarHBondContact O-N 3.26Å; Q91-Q95 VanDerWaalsContact O-N 3.1Å
96E86.6Confident89.3Confident176 Ų17654.7 Ų54.782%0.82226%0.264SS*.SBendtrans-85.6-20.7176.9-58.8-58.5134.100113F94F94-E96 VanDerWaalsContact C-N 3.25Å; F94-E96 PolarHBondContact O-N 3.18Å
97D87.9Confident89.2Confident71 Ų7157.3 Ų57.338%0.3828%0.277SS..  trans-136.777.5175.2-169.6-5.6000112.9F94 V99 Q100F94-D97 CarbonylContact O-C 3.56Å; F94-D97 PolarHBondContact O-N 2.95Å; D97-V99 PolarHBondContact O-N 3.34Å; D97-V99 PolarHBondContact OD1-N 3.49Å; D97-Q100 HydrophobicContact CB-CB 4.35Å; D97-Q100 PolarHBondContact O-N 3.08Å; D97-Q100 PolarHBondContact OD1-N 3.12Å; D97-Q100 VanDerWaalsContact OD1-N 3.08Å; D97-Q100 WeakPolarHBondContact OD2-CB 3.47Å
98P88.9Confident89.2Confident9 Ų956.2 Ų56.26%0.05827%0.274CS..Hα-helixtrans-68-19.6178.2-23.936.2000114.1A53 F57 F94 M101 S102A53-P98 HydrophobicContact CB-CB 3.95Å; F57-P98 HydrophobicContact CB-CB 4.12Å; F94-P98 WeakPolarHBondContact O-CA 3.31Å; F94-P98 WeakPolarHBondContact O-CD 3.47Å; F94-P98 VanDerWaalsContact O-N 3.11Å; P98-M101 PolarHBondContact O-N 3.43Å; P98-S102 PolarHBondContact O-N 3.26Å; P98-S102 VanDerWaalsContact O-N 3.11Å; P98-S102 PolarHBondContact O-OG 3.45Å
99V88.9Confident89.4Confident34 Ų3450.1 Ų50.121%0.20625%0.252CS..Hα-helixtrans-71.3-43.2179.8176.20000109.9A47 V50 A53 D97 M101 S102 M103A47-V99 VanDerWaalsContact O-CG1 3.22Å; A47-V99 WeakPolarHBondContact O-CG1 3.32Å; V50-V99 HydrophobicContact CB-CG2 4.16Å; V50-V99 HydrophobicContact CG1-CG2 4.47Å; V50-V99 HydrophobicContact CG2-CG2 3.76Å; A53-V99 HydrophobicContact CB-CG2 3.94Å; D97-V99 PolarHBondContact O-N 3.34Å; D97-V99 PolarHBondContact OD1-N 3.49Å; V99-M101 VanDerWaalsContact C-N 3.29Å; V99-M101 PolarHBondContact O-N 3.03Å; V99-S102 PolarHBondContact O-N 2.88Å; V99-S102 VanDerWaalsContact O-N 3.14Å; V99-M103 PolarHBondContact O-N 3.21Å
100Q87.3Confident89.6Confident100 Ų10051.7 Ų51.747%0.46726%0.257SS..Hα-helixtrans-57.7-42.6174-174.9-179.90.400111.7F94 D97 S102 M103 I104F94-Q100 HydrophobicContact CE1-CG 4.33Å; D97-Q100 HydrophobicContact CB-CB 4.35Å; D97-Q100 PolarHBondContact O-N 3.08Å; D97-Q100 PolarHBondContact OD1-N 3.12Å; D97-Q100 VanDerWaalsContact OD1-N 3.08Å; D97-Q100 WeakPolarHBondContact OD2-CB 3.47Å; Q100-S102 PolarHBondContact O-N 3.12Å; Q100-M103 PolarHBondContact O-N 2.91Å; Q100-I104 HydrophobicContact CG-CD1 4.21Å; Q100-I104 VanDerWaalsContact O-CG1 3.32Å; Q100-I104 WeakPolarHBondContact O-CG1 3.45Å; Q100-I104 PolarHBondContact O-N 3.26Å
101M92.3Very high89.6Confident1 Ų154.9 Ų54.91%0.00527%0.272CS..Hα-helixtrans-59.8-47175.2-173.4-162.161.200111.6W43 F57 L60 F94 P98 V99 M103 I104 I105W43-M101 HydrophobicContact CZ3-CE 4.05Å; F57-M101 HydrophobicContact CB-CE 3.94Å; F57-M101 HydrophobicContact CD2-CE 3.86Å; F57-M101 HydrophobicContact CD2-SD 3.6Å; F57-M101 HydrophobicContact CE2-SD 4.23Å; F57-M101 HydrophobicContact CG-CE 4.42Å; L60-M101 HydrophobicContact CD2-CE 4.38Å; L60-M101 HydrophobicContact CD2-SD 3.82Å; F94-M101 HydrophobicContact CB-CB 3.84Å; F94-M101 HydrophobicContact CB-CG 4.39Å; F94-M101 HydrophobicContact CD1-CB 3.74Å; F94-M101 HydrophobicContact CD1-CG 4.49Å; F94-M101 HydrophobicContact CD2-CB 4.18Å; F94-M101 HydrophobicContact CD2-CG 4.11Å; F94-M101 HydrophobicContact CE1-CB 4.33Å; F94-M101 HydrophobicContact CG-CB 3.65Å; F94-M101 HydrophobicContact CG-CG 4.08Å; P98-M101 PolarHBondContact O-N 3.43Å; V99-M101 VanDerWaalsContact C-N 3.29Å; V99-M101 PolarHBondContact O-N 3.03Å; M101-M103 VanDerWaalsContact C-N 3.27Å; M101-M103 PolarHBondContact O-N 3.48Å; M101-I104 WeakPolarHBondContact O-CB 3.35Å; M101-I104 PolarHBondContact O-N 2.98Å; M101-I104 VanDerWaalsContact O-N 3.13Å; M101-I105 HydrophobicContact CE-CD1 4.16Å; M101-I105 HydrophobicContact CG-CD1 3.91Å; M101-I105 HydrophobicContact CG-CG1 4.43Å; M101-I105 WeakPolarHBondContact O-CG1 3.32Å; M101-I105 PolarHBondContact O-N 3.05Å; M101-I105 HydrophobicContact SD-CD1 4.11Å
102S91.5Very high89.8Confident0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-60.9-39.4-179.4-59.70000111.4P98 V99 Q100 I105 Y106P98-S102 PolarHBondContact O-N 3.26Å; P98-S102 VanDerWaalsContact O-N 3.11Å; P98-S102 PolarHBondContact O-OG 3.45Å; V99-S102 PolarHBondContact O-N 2.88Å; V99-S102 VanDerWaalsContact O-N 3.14Å; Q100-S102 PolarHBondContact O-N 3.12Å; S102-I105 PolarHBondContact O-N 3.48Å; S102-Y106 VanDerWaalsContact O-CB 3.29Å; S102-Y106 WeakPolarHBondContact O-CB 3.2Å; S102-Y106 PolarHBondContact O-N 3.19Å
103M88.4Confident90Very high78 Ų7851.9 Ų51.938%0.38425%0.249SC..Hα-helixtrans-64.6-41.1174.4-169.362.3171.300112.3A47 V99 Q100 M101 N107A47-M103 HydrophobicContact CB-CB 4.37Å; A47-M103 HydrophobicContact CB-SD 3.96Å; V99-M103 PolarHBondContact O-N 3.21Å; Q100-M103 PolarHBondContact O-N 2.91Å; M101-M103 VanDerWaalsContact C-N 3.27Å; M101-M103 PolarHBondContact O-N 3.48Å; M103-N107 WeakPolarHBondContact O-CB 3.36Å; M103-N107 PolarHBondContact O-N 3.47Å; M103-N107 PolarHBondContact O-ND2 2.94Å; M103-N107 VanDerWaalsContact O-ND2 3.11Å
104I89.4Confident90.2Very high34 Ų3451.9 Ų51.917%0.17425%0.245CC..Hα-helixtrans-61.6-52.1175.7-68.7165.4000110.1F26 F94 Q100 M101 Y106 N107 C108F26-I104 HydrophobicContact CB-CG2 3.79Å; F26-I104 HydrophobicContact CG-CG2 4.42Å; F94-I104 HydrophobicContact CE1-CD1 3.58Å; F94-I104 HydrophobicContact CZ-CD1 3.66Å; Q100-I104 HydrophobicContact CG-CD1 4.21Å; Q100-I104 VanDerWaalsContact O-CG1 3.32Å; Q100-I104 WeakPolarHBondContact O-CG1 3.45Å; Q100-I104 PolarHBondContact O-N 3.26Å; M101-I104 WeakPolarHBondContact O-CB 3.35Å; M101-I104 PolarHBondContact O-N 2.98Å; M101-I104 VanDerWaalsContact O-N 3.13Å; I104-Y106 VanDerWaalsContact C-N 3.33Å; I104-Y106 PolarHBondContact O-N 3.25Å; I104-N107 PolarHBondContact O-N 3.48Å; I104-C108 PolarHBondContact O-N 3.27Å; I104-C108 PolarHBondContact O-SG 3.29Å
105I92.3Very high90.2Very high2 Ų252.1 Ų52.11%0.0125%0.246CC..Hα-helixtrans-61.4-43.6-178.5-61.7170.4000110.8F26 L38 W43 L60 M101 S102 N107 C108 L109F26-I105 HydrophobicContact CD2-CD1 4.45Å; F26-I105 HydrophobicContact CD2-CG1 4.02Å; F26-I105 HydrophobicContact CE1-CG1 4.3Å; F26-I105 HydrophobicContact CE2-CD1 3.82Å; F26-I105 HydrophobicContact CE2-CG1 3.67Å; F26-I105 HydrophobicContact CG-CG1 4.49Å; F26-I105 HydrophobicContact CZ-CD1 4.19Å; F26-I105 HydrophobicContact CZ-CG1 3.83Å; L38-I105 HydrophobicContact CD2-CD1 4.36Å; L38-I105 HydrophobicContact CD2-CG2 4.34Å; W43-I105 HydrophobicContact CD2-CB 4.01Å; W43-I105 HydrophobicContact CD2-CD1 4.38Å; W43-I105 HydrophobicContact CD2-CG2 3.64Å; W43-I105 HydrophobicContact CE3-CB 4.25Å; W43-I105 HydrophobicContact CE3-CD1 4.07Å; W43-I105 HydrophobicContact CE3-CG2 4.32Å; W43-I105 HydrophobicContact CG-CB 4.28Å; W43-I105 HydrophobicContact CG-CG2 3.79Å; W43-I105 HydrophobicContact CH2-CD1 3.72Å; W43-I105 HydrophobicContact CZ2-CD1 4.05Å; W43-I105 HydrophobicContact CZ2-CG2 4.15Å; W43-I105 HydrophobicContact CZ3-CD1 3.73Å; L60-I105 HydrophobicContact CD2-CD1 4.33Å; M101-I105 HydrophobicContact CE-CD1 4.16Å; M101-I105 HydrophobicContact CG-CD1 3.91Å; M101-I105 HydrophobicContact CG-CG1 4.43Å; M101-I105 WeakPolarHBondContact O-CG1 3.32Å; M101-I105 PolarHBondContact O-N 3.05Å; M101-I105 HydrophobicContact SD-CD1 4.11Å; S102-I105 PolarHBondContact O-N 3.48Å; I105-N107 PolarHBondContact O-N 3.24Å; I105-C108 PolarHBondContact O-N 2.99Å; I105-L109 HydrophobicContact CG2-CD1 4.07Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 WeakPolarHBondContact O-CG 3.41Å; I105-L109 PolarHBondContact O-N 3.48Å
106Y92.6Very high90.2Very high30 Ų3048 Ų4812%0.11823%0.227CC..Hα-helixtrans-57.4-49.8175.3173.9-105.3000112W43 E44 S102 I104 L109 K110W43-Y106 HydrophobicContact CB-CD2 4.47Å; E44-Y106 HydrophobicContact CB-CD2 3.84Å; E44-Y106 HydrophobicContact CB-CE2 3.56Å; E44-Y106 HydrophobicContact CG-CD2 4.43Å; E44-Y106 HydrophobicContact CG-CE2 3.81Å; E44-Y106 VanDerWaalsContact OE2-CE2 3.25Å; E44-Y106 WeakPolarHBondContact OE2-CE2 3.48Å; E44-Y106 PolarHBondContact OE2-OH 2.95Å; S102-Y106 VanDerWaalsContact O-CB 3.29Å; S102-Y106 WeakPolarHBondContact O-CB 3.2Å; S102-Y106 PolarHBondContact O-N 3.19Å; I104-Y106 VanDerWaalsContact C-N 3.33Å; I104-Y106 PolarHBondContact O-N 3.25Å; Y106-L109 PolarHBondContact O-N 3.24Å; Y106-K110 HydrophobicContact CE1-CD 3.91Å; Y106-K110 VanDerWaalsContact O-CB 3.25Å; Y106-K110 WeakPolarHBondContact O-CB 3.36Å; Y106-K110 PolarHBondContact O-N 3.41Å; Y106-K110 PolarHBondContact OH-NZ 2.97Å
107N89.5Confident90.4Very high64 Ų6444.5 Ų44.534%0.34221%0.211SC..Hα-helixtrans-64.6-43.3-179.4-72.3-28.4000111.6M103 I104 I105 K110 E111M103-N107 WeakPolarHBondContact O-CB 3.36Å; M103-N107 PolarHBondContact O-N 3.47Å; M103-N107 PolarHBondContact O-ND2 2.94Å; M103-N107 VanDerWaalsContact O-ND2 3.11Å; I104-N107 PolarHBondContact O-N 3.48Å; I105-N107 PolarHBondContact O-N 3.24Å; N107-K110 PolarHBondContact O-N 3.07Å; N107-E111 WeakPolarHBondContact O-CG 3.1Å; N107-E111 PolarHBondContact O-N 3.48Å
108C91.5Very high90.3Very high15 Ų1545 Ų4510%0.10121%0.214CC..Hα-helixtrans-57.6-51.9175.9-69.60000111.5Y22 I104 I105 K110 E111 E112Y22-C108 HydrophobicContact CE1-CB 4.45Å; I104-C108 PolarHBondContact O-N 3.27Å; I104-C108 PolarHBondContact O-SG 3.29Å; I105-C108 PolarHBondContact O-N 2.99Å; C108-K110 VanDerWaalsContact C-N 3.27Å; C108-K110 PolarHBondContact O-N 2.74Å; C108-E111 PolarHBondContact O-N 2.74Å; C108-E112 WeakPolarHBondContact O-CG 3.4Å; C108-E112 PolarHBondContact O-N 2.94Å
109L92.9Very high90.1Very high13 Ų1344.6 Ų44.67%0.06821%0.211CC..Hα-helixtrans-63.8-33179-68177.3000112.5Q3 E39 I105 Y106 E112 R113Q3-L109 PolarHBondContact NE2-O 3.32Å; E39-L109 HydrophobicContact CG-CD2 4.3Å; I105-L109 HydrophobicContact CG2-CD1 4.07Å; I105-L109 HydrophobicContact CG2-CG 4.42Å; I105-L109 WeakPolarHBondContact O-CG 3.41Å; I105-L109 PolarHBondContact O-N 3.48Å; Y106-L109 PolarHBondContact O-N 3.24Å; L109-E112 WeakPolarHBondContact CD2-OE2 3.47Å; L109-R113 PolarHBondContact O-N 2.98Å
110K92.2Very high89.8Confident79 Ų7948.5 Ų48.534%0.34323%0.227SC..Hα-helixtrans-69.6-44.3175.8-173.3175.9-175167.90112.1Y106 N107 C108 R113 K114Y106-K110 HydrophobicContact CE1-CD 3.91Å; Y106-K110 VanDerWaalsContact O-CB 3.25Å; Y106-K110 WeakPolarHBondContact O-CB 3.36Å; Y106-K110 PolarHBondContact O-N 3.41Å; Y106-K110 PolarHBondContact OH-NZ 2.97Å; N107-K110 PolarHBondContact O-N 3.07Å; C108-K110 VanDerWaalsContact C-N 3.27Å; C108-K110 PolarHBondContact O-N 2.74Å; K110-R113 PolarHBondContact O-N 3.31Å; K110-K114 PolarHBondContact O-N 2.57Å
111E89Confident89.3Confident68 Ų6851.7 Ų51.732%0.31824%0.235SC..Hα-helixtrans-65.9-38.6175.3-69.4-52.6132.500111.6L21 N107 C108 R113 K114 I115L21-E111 HydrophobicContact CD1-CB 3.82Å; L21-E111 HydrophobicContact CD2-CB 3.79Å; L21-E111 HydrophobicContact CD2-CG 4.17Å; L21-E111 HydrophobicContact CG-CB 4.5Å; N107-E111 WeakPolarHBondContact O-CG 3.1Å; N107-E111 PolarHBondContact O-N 3.48Å; C108-E111 PolarHBondContact O-N 2.74Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 3.49Å; E111-K114 WeakPolarHBondContact O-CB 3.45Å; E111-K114 PolarHBondContact O-N 3.34Å; E111-K114 VanDerWaalsContact O-N 3.11Å; E111-K114 IonicContact OE1-NZ 2.78Å; E111-K114 PolarHBondContact OE1-NZ 2.91Å; E111-K114 WeakPolarHBondContact OE2-CD 3.16Å; E111-K114 IonicContact OE2-NZ 2.99Å; E111-I115 WeakPolarHBondContact O-CG1 3.48Å; E111-I115 PolarHBondContact O-N 3.4Å
112E92.3Very high88.4Confident0 Ų054.9 Ų54.90%025%0.248CC..Hα-helixtrans-55.3-42171.5-78.5-173.9165.400112.8W4 L7 L21 Y22 R31 C108 L109 I115 L116W4-E112 VanDerWaalsContact CZ3-OE1 3.27Å; W4-E112 WeakPolarHBondContact CZ3-OE1 3.42Å; L7-E112 HydrophobicContact CD1-CB 3.85Å; L7-E112 HydrophobicContact CD1-CG 3.57Å; L21-E112 HydrophobicContact CD1-CG 4.29Å; Y22-E112 VanDerWaalsContact OH-CD 3.27Å; Y22-E112 PolarHBondContact OH-OE1 3.15Å; R31-E112 IonicContact CZ-OE1 2.65Å; R31-E112 IonicContact CZ-OE2 3.79Å; R31-E112 IonicContact NE-OE1 3.51Å; R31-E112 PolarHBondContact NE-OE1 3.44Å; R31-E112 IonicContact NE-OE2 4Å; R31-E112 PolarHBondContact NE-OE2 3.24Å; R31-E112 IonicContact NH2-OE1 2.74Å; R31-E112 IonicContact NH2-OE2 2.74Å; R31-E112 PolarHBondContact NH2-OE2 2.65Å; C108-E112 WeakPolarHBondContact O-CG 3.4Å; C108-E112 PolarHBondContact O-N 2.94Å; L109-E112 WeakPolarHBondContact CD2-OE2 3.47Å; E112-I115 PolarHBondContact O-N 3.39Å; E112-L116 PolarHBondContact O-N 3.06Å; E112-L116 VanDerWaalsContact O-N 3.08Å
113R91.9Very high87.3Confident117 Ų11758.9 Ų58.944%0.44227%0.27SS..Hα-helixtrans-63.9-41.5176.2-74.6-177.5-75.1-139.2-2.2111.7L109 K110 E111 I115 L116 E117L109-R113 PolarHBondContact O-N 2.98Å; K110-R113 PolarHBondContact O-N 3.31Å; E111-R113 VanDerWaalsContact C-N 3.29Å; E111-R113 PolarHBondContact O-N 3.49Å; R113-I115 VanDerWaalsContact C-N 3.31Å; R113-I115 PolarHBondContact O-N 3.38Å; R113-L116 PolarHBondContact O-N 3.05Å; R113-E117 WeakPolarHBondContact O-CG 3.42Å; R113-E117 PolarHBondContact O-N 2.85Å
114K90.6Very high86.1Confident90 Ų9062.8 Ų62.839%0.39129%0.287SS..Hα-helixtrans-61.9-39175.6-68.4173.4177.9174.90111.9K110 E111 E117 N118K110-K114 PolarHBondContact O-N 2.57Å; E111-K114 WeakPolarHBondContact O-CB 3.45Å; E111-K114 PolarHBondContact O-N 3.34Å; E111-K114 VanDerWaalsContact O-N 3.11Å; E111-K114 IonicContact OE1-NZ 2.78Å; E111-K114 PolarHBondContact OE1-NZ 2.91Å; E111-K114 WeakPolarHBondContact OE2-CD 3.16Å; E111-K114 IonicContact OE2-NZ 2.99Å; K114-E117 PolarHBondContact O-N 3.3Å; K114-N118 WeakPolarHBondContact O-CB 3.34Å; K114-N118 VanDerWaalsContact O-CG 3.25Å; K114-N118 PolarHBondContact O-N 3.38Å; K114-N118 PolarHBondContact O-ND2 2.83Å
115I89.3Confident84.6Confident10 Ų1065.2 Ų65.25%0.05131%0.312CS..Hα-helixtrans-62.2-46.5175.9-66.2170.3000110.3L7 L10 F14 Q17 V18 L21 E111 E112 R113 N118 A119L7-I115 HydrophobicContact CD2-CG2 4.29Å; L10-I115 HydrophobicContact CD1-CG2 4.08Å; F14-I115 HydrophobicContact CB-CG2 3.9Å; F14-I115 HydrophobicContact CD1-CG2 4.12Å; F14-I115 HydrophobicContact CG-CG2 4.44Å; Q17-I115 HydrophobicContact CB-CD1 3.84Å; Q17-I115 HydrophobicContact CB-CG1 4.35Å; V18-I115 HydrophobicContact CG2-CD1 3.97Å; V18-I115 HydrophobicContact CG2-CG2 4.36Å; L21-I115 HydrophobicContact CD1-CD1 3.72Å; E111-I115 WeakPolarHBondContact O-CG1 3.48Å; E111-I115 PolarHBondContact O-N 3.4Å; E112-I115 PolarHBondContact O-N 3.39Å; R113-I115 VanDerWaalsContact C-N 3.31Å; R113-I115 PolarHBondContact O-N 3.38Å; I115-N118 PolarHBondContact O-N 2.93Å; I115-A119 WeakPolarHBondContact O-CB 3.37Å; I115-A119 PolarHBondContact O-N 2.95Å
116L89.4Confident82.7Confident18 Ų1868.4 Ų68.49%0.09433%0.327CS..Hα-helixtrans-60.3-46.9177-74.6165.3000112.2Q3 E6 L7 L10 E112 R113 N118 A119 Q120Q3-L116 HydrophobicContact CG-CD1 3.72Å; E6-L116 HydrophobicContact CB-CD2 4.03Å; L7-L116 HydrophobicContact CD2-CD1 4.13Å; L7-L116 HydrophobicContact CD2-CD2 3.87Å; L7-L116 HydrophobicContact CD2-CG 3.62Å; L7-L116 HydrophobicContact CG-CD1 4.21Å; L7-L116 HydrophobicContact CG-CD2 4.22Å; L7-L116 HydrophobicContact CG-CG 4.16Å; L10-L116 HydrophobicContact CD1-CD2 3.93Å; L10-L116 HydrophobicContact CD2-CD2 4.27Å; L10-L116 HydrophobicContact CG-CD2 4.28Å; E112-L116 PolarHBondContact O-N 3.06Å; E112-L116 VanDerWaalsContact O-N 3.08Å; R113-L116 PolarHBondContact O-N 3.05Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.03Å; L116-A119 PolarHBondContact O-N 3.26Å; L116-Q120 WeakPolarHBondContact O-CG 3.46Å; L116-Q120 PolarHBondContact O-N 3.32Å
117E89.4Confident80.3Confident102 Ų10276.5 Ų76.548%0.47737%0.366SS..Hα-helixtrans-61-42177.4-73.6178.6-167.500111.8R113 K114 Q120 R121R113-E117 WeakPolarHBondContact O-CG 3.42Å; R113-E117 PolarHBondContact O-N 2.85Å; K114-E117 PolarHBondContact O-N 3.3Å; E117-Q120 PolarHBondContact O-N 3.06Å; E117-R121 WeakPolarHBondContact O-CG 3.3Å; E117-R121 PolarHBondContact O-N 3.5Å; E117-R121 VanDerWaalsContact O-N 3.14Å
118N86.2Confident78Confident81 Ų8176.3 Ų76.343%0.43338%0.379SS..Hα-helixtrans-65.6-38.8176.3-76.4-20.6000112.1K114 I115 L116 R121 F122K114-N118 WeakPolarHBondContact O-CB 3.34Å; K114-N118 VanDerWaalsContact O-CG 3.25Å; K114-N118 PolarHBondContact O-N 3.38Å; K114-N118 PolarHBondContact O-ND2 2.83Å; I115-N118 PolarHBondContact O-N 2.93Å; L116-N118 VanDerWaalsContact C-N 3.33Å; L116-N118 PolarHBondContact O-N 3.03Å; N118-R121 PolarHBondContact O-N 3.02Å; N118-F122 WeakPolarHBondContact O-CB 3.49Å; N118-F122 PolarHBondContact O-N 3.42Å
119A85.7Confident75.6Confident0 Ų079.2 Ų79.20%039%0.394CS..Hα-helixtrans-66-40.2177.200000112.3L10 F14 I115 L116 R121 F122 N123L10-A119 HydrophobicContact CD1-CB 3.94Å; L10-A119 HydrophobicContact CD2-CB 3.63Å; L10-A119 HydrophobicContact CG-CB 4.37Å; F14-A119 HydrophobicContact CD1-CB 3.92Å; F14-A119 HydrophobicContact CD2-CB 3.79Å; F14-A119 HydrophobicContact CE1-CB 3.87Å; F14-A119 HydrophobicContact CE2-CB 3.75Å; F14-A119 HydrophobicContact CG-CB 3.89Å; F14-A119 VanDerWaalsContact CZ-CA 3.49Å; F14-A119 HydrophobicContact CZ-CB 3.8Å; I115-A119 WeakPolarHBondContact O-CB 3.37Å; I115-A119 PolarHBondContact O-N 2.95Å; L116-A119 PolarHBondContact O-N 3.26Å; A119-R121 PolarHBondContact O-N 3.23Å; A119-F122 PolarHBondContact O-N 3.41Å; A119-N123 PolarHBondContact O-N 2.9Å; A119-N123 PolarHBondContact O-ND2 3.47Å
120Q82.1Confident73.4Confident117 Ų11784.3 Ų84.355%0.54742%0.42SS..Hα-helixtrans-62.2-42.7174.7-71.4176.3-0.300111.9L116 E117 F122 N123 Q124L116-Q120 WeakPolarHBondContact O-CG 3.46Å; L116-Q120 PolarHBondContact O-N 3.32Å; E117-Q120 PolarHBondContact O-N 3.06Å; Q120-F122 VanDerWaalsContact C-N 3.33Å; Q120-F122 PolarHBondContact O-N 3.48Å; Q120-N123 PolarHBondContact O-N 3.29Å; Q120-Q124 WeakPolarHBondContact O-CG 3.25Å; Q120-Q124 PolarHBondContact O-N 3.18Å
121R77.6Confident71.2Confident167 Ų16787.9 Ų87.963%0.6344%0.438SS*.Hα-helixtrans-64-37.9174.8-69.8177.3-175.1-172.44.3112.2E117 N118 A119 A125E117-R121 WeakPolarHBondContact O-CG 3.3Å; E117-R121 PolarHBondContact O-N 3.5Å; E117-R121 VanDerWaalsContact O-N 3.14Å; N118-R121 PolarHBondContact O-N 3.02Å; A119-R121 PolarHBondContact O-N 3.23Å; R121-A125 PolarHBondContact O-N 3.29Å
122F72.7Confident69.2Low67 Ų6790.9 Ų90.929%0.29446%0.456SS..Hα-helixtrans-67.4-43.7178.2-168.9-95.2000112F14 N118 A119 Q120 Q124 A125 Q126F14-F122 HydrophobicContact CE2-CB 4.44Å; F14-F122 HydrophobicContact CE2-CD1 4.25Å; F14-F122 HydrophobicContact CE2-CG 4.47Å; F14-F122 HydrophobicContact CZ-CB 3.77Å; F14-F122 HydrophobicContact CZ-CD1 4.19Å; F14-F122 AromaticContact CZ-CG 3.96Å; F14-F122 HydrophobicContact CZ-CG 3.96Å; N118-F122 WeakPolarHBondContact O-CB 3.49Å; N118-F122 PolarHBondContact O-N 3.42Å; A119-F122 PolarHBondContact O-N 3.41Å; Q120-F122 VanDerWaalsContact C-N 3.33Å; Q120-F122 PolarHBondContact O-N 3.48Å; F122-Q124 VanDerWaalsContact C-N 3.33Å; F122-Q124 PolarHBondContact O-N 2.98Å; F122-A125 PolarHBondContact O-N 2.99Å; F122-Q126 HydrophobicContact CD1-CG 3.9Å; F122-Q126 HydrophobicContact CE1-CB 4.4Å; F122-Q126 HydrophobicContact CE1-CG 3.48Å; F122-Q126 VanDerWaalsContact CE1-CG 3.48Å; F122-Q126 HydrophobicContact CE2-CG 4.33Å; F122-Q126 HydrophobicContact CG-CG 4.48Å; F122-Q126 VanDerWaalsContact CZ-CD 3.4Å; F122-Q126 HydrophobicContact CZ-CG 3.72Å; F122-Q126 WeakPolarHBondContact O-CB 3.33Å; F122-Q126 PolarHBondContact O-N 3.35Å; F122-Q126 VanDerWaalsContact O-N 3.16Å
123N67.8Low67.3Low85 Ų8594.7 Ų94.746%0.45548%0.479SS..Hα-helixtrans-63.3-38178-72.3-18.1000112.4A119 Q120 A125 Q126A119-N123 PolarHBondContact O-N 2.9Å; A119-N123 PolarHBondContact O-ND2 3.47Å; Q120-N123 PolarHBondContact O-N 3.29Å; N123-A125 PolarHBondContact O-N 2.65Å; N123-Q126 PolarHBondContact O-N 3.49Å
124Q63.5Low65.8Low159 Ų15992.4 Ų92.474%0.74348%0.478SS*.Hα-helixtrans-66.4-23.8174.2-70.9172.67.300113Q120 F122Q120-Q124 WeakPolarHBondContact O-CG 3.25Å; Q120-Q124 PolarHBondContact O-N 3.18Å; F122-Q124 VanDerWaalsContact C-N 3.33Å; F122-Q124 PolarHBondContact O-N 2.98Å
125A58.5Low64.5Low85 Ų8591.8 Ų91.870%0.70248%0.477SS*.Hα-helixtrans-92.3-8.8177.900000113.9R121 F122 N123R121-A125 PolarHBondContact O-N 3.29Å; F122-A125 PolarHBondContact O-N 2.99Å; N123-A125 PolarHBondContact O-N 2.65Å
126Q52.5Low63.5Low70 Ų7095.6 Ų95.633%0.32750%0.497SS..  trans-115.722.5-167.9-83.6-118.7-3100115.4F122 N123 G128 N129F122-Q126 HydrophobicContact CD1-CG 3.9Å; F122-Q126 HydrophobicContact CE1-CB 4.4Å; F122-Q126 HydrophobicContact CE1-CG 3.48Å; F122-Q126 VanDerWaalsContact CE1-CG 3.48Å; F122-Q126 HydrophobicContact CE2-CG 4.33Å; F122-Q126 HydrophobicContact CG-CG 4.48Å; F122-Q126 VanDerWaalsContact CZ-CD 3.4Å; F122-Q126 HydrophobicContact CZ-CG 3.72Å; F122-Q126 WeakPolarHBondContact O-CB 3.33Å; F122-Q126 PolarHBondContact O-N 3.35Å; F122-Q126 VanDerWaalsContact O-N 3.16Å; N123-Q126 PolarHBondContact O-N 3.49Å; Q126-G128 PolarHBondContact O-N 3.26Å; Q126-N129 PolarHBondContact O-N 2.91Å; Q126-N129 PolarHBondContact OE1-ND2 3.37Å
127E40.8Very low62.8Low200 Ų20098.7 Ų98.794%0.93551%0.514SS*.THydrogen-bonded Turntrans-56.38.8173.7-86.1-171.8161.400115.8
128G42.5Very low62.3Low59 Ų5998.1 Ų98.161%0.60851%0.51SS*.THydrogen-bonded Turntrans-1246.9179.400000117.7Q126 I130Q126-G128 PolarHBondContact O-N 3.26Å; G128-I130 PolarHBondContact O-N 2.83Å
129N40.3Very low62.1Low77 Ų7796.3 Ų96.341%0.41250%0.499SS..  trans-87.378.8-173.3-146.30.2000113.6Q126 Q131Q126-N129 PolarHBondContact O-N 2.91Å; Q126-N129 PolarHBondContact OE1-ND2 3.37Å; N129-Q131 VanDerWaalsContact C-N 3.34Å; N129-Q131 PolarHBondContact O-N 3.44Å
130I46.5Very low62.1Low120 Ų120102 Ų10262%0.61552%0.524SS*.  trans-73.1-17.3-172.1-64.2161.5000113.6G128 N132 V134G128-I130 PolarHBondContact O-N 2.83Å; I130-N132 PolarHBondContact O-N 3.23Å; I130-V134 HydrophobicContact CG2-CG2 3.81Å; I130-V134 VanDerWaalsContact O-CG2 3.31Å; I130-V134 WeakPolarHBondContact O-CG2 3.39Å; I130-V134 PolarHBondContact O-N 3.01Å
131Q46.3Very low62.3Low153 Ų153101.5 Ų101.572%0.71552%0.521SS*.Hα-helixtrans-71.1-37-165.5-71-174.3-19.200115.3N129N129-Q131 VanDerWaalsContact C-N 3.34Å; N129-Q131 PolarHBondContact O-N 3.44Å
132N46.8Very low62.9Low131 Ų13193.7 Ų93.770%0.70149%0.492SS*.Hα-helixtrans-73-32.5-179.7-77.6-12.6000112.5I130 L136I130-N132 PolarHBondContact O-N 3.23Å; N132-L136 PolarHBondContact O-N 3.46Å
133T53Low63.7Low81 Ų8193.2 Ų93.250%0.49749%0.493SS..Hα-helixtrans-66.9-39.3177-43.40000111.1M135 L136 D137T133-M135 PolarHBondContact O-N 3.34Å; T133-L136 PolarHBondContact O-N 2.9Å; T133-D137 VanDerWaalsContact O-CG 3.28Å; T133-D137 PolarHBondContact O-N 3.12Å
134V59.4Low64.7Low68 Ų6892.5 Ų92.541%0.41250%0.495SS..Hα-helixtrans-64.5-39.9-178.9174.30000112.6I130 K138I130-V134 HydrophobicContact CG2-CG2 3.81Å; I130-V134 VanDerWaalsContact O-CG2 3.31Å; I130-V134 WeakPolarHBondContact O-CG2 3.39Å; I130-V134 PolarHBondContact O-N 3.01Å; V134-K138 WeakPolarHBondContact O-CG 3.39Å; V134-K138 PolarHBondContact O-N 3.11Å; V134-K138 VanDerWaalsContact O-N 3.14Å
135M64.2Low66Low77 Ų7787.8 Ų87.838%0.37947%0.471SS..Hα-helixtrans-67-40.7175.8-72.6-168.18000111.8T133 D137 K138 Q139T133-M135 PolarHBondContact O-N 3.34Å; M135-D137 VanDerWaalsContact C-N 3.32Å; M135-D137 PolarHBondContact O-N 3.45Å; M135-K138 PolarHBondContact O-N 2.64Å; M135-Q139 WeakPolarHBondContact O-CG 3.47Å; M135-Q139 PolarHBondContact O-N 3.38Å; M135-Q139 VanDerWaalsContact O-N 3.16Å
136L68.7Low67.6Low90 Ų9083.8 Ų83.847%0.47144%0.439SS..Hα-helixtrans-65.5-37.5179.5-157.884.2000111.8N132 T133 Q139 K140N132-L136 PolarHBondContact O-N 3.46Å; T133-L136 PolarHBondContact O-N 2.9Å; L136-Q139 PolarHBondContact O-N 2.83Å; L136-K140 WeakPolarHBondContact O-CG 3.34Å; L136-K140 PolarHBondContact O-N 3.24Å; L136-K140 VanDerWaalsContact O-N 3.11Å
137D74.8Confident69.4Low83 Ų8387.5 Ų87.544%0.44445%0.45SS..Hα-helixtrans-70.3-41.5179.1-70.1-21.2000112T133 M135 Q139 K140 E141T133-D137 VanDerWaalsContact O-CG 3.28Å; T133-D137 PolarHBondContact O-N 3.12Å; M135-D137 VanDerWaalsContact C-N 3.32Å; M135-D137 PolarHBondContact O-N 3.45Å; D137-Q139 VanDerWaalsContact C-N 3.34Å; D137-Q139 PolarHBondContact O-N 3.39Å; D137-K140 PolarHBondContact O-N 2.99Å; D137-E141 WeakPolarHBondContact O-CB 3.46Å; D137-E141 PolarHBondContact O-N 2.85Å
138K79.4Confident71.8Confident91 Ų9181.4 Ų81.440%0.39642%0.423SS..Hα-helixtrans-57.1-45.7172.4-77.6-175.5176.7-1700112.1V134 M135 E141 L142 E238V134-K138 WeakPolarHBondContact O-CG 3.39Å; V134-K138 PolarHBondContact O-N 3.11Å; V134-K138 VanDerWaalsContact O-N 3.14Å; M135-K138 PolarHBondContact O-N 2.64Å; K138-E141 PolarHBondContact O-N 3.22Å; K138-L142 PolarHBondContact O-N 2.99Å; K138-E238 IonicContact NZ-OE1 3.26Å; K138-E238 PolarHBondContact NZ-OE1 3.15Å
139Q81.6Confident74.2Confident42 Ų4278.6 Ų78.620%0.19639%0.394CS..Hα-helixtrans-63.6-43.9179.8-70.2-175.7-7.100112M135 L136 D137 E141 L142 D143 W262M135-Q139 WeakPolarHBondContact O-CG 3.47Å; M135-Q139 PolarHBondContact O-N 3.38Å; M135-Q139 VanDerWaalsContact O-N 3.16Å; L136-Q139 PolarHBondContact O-N 2.83Å; D137-Q139 VanDerWaalsContact C-N 3.34Å; D137-Q139 PolarHBondContact O-N 3.39Å; Q139-E141 VanDerWaalsContact C-N 3.34Å; Q139-E141 PolarHBondContact O-N 2.88Å; Q139-L142 PolarHBondContact O-N 3.28Å; Q139-D143 PolarHBondContact O-N 3.12Å; Q139-W262 HydrophobicContact CB-CH2 4.34Å; Q139-W262 HydrophobicContact CB-CZ2 4.49Å; Q139-W262 HydrophobicContact CG-CH2 4.13Å
140K84.3Confident76.6Confident120 Ų12079 Ų7952%0.52239%0.393SS..Hα-helixtrans-63-39.7176.2-73.8173.8-176171.30112.5L136 D137 D143 S144L136-K140 WeakPolarHBondContact O-CG 3.34Å; L136-K140 PolarHBondContact O-N 3.24Å; L136-K140 VanDerWaalsContact O-N 3.11Å; D137-K140 PolarHBondContact O-N 2.99Å; K140-D143 PolarHBondContact O-N 2.59Å; K140-S144 PolarHBondContact O-N 3.5Å
141E88Confident78.8Confident106 Ų10677.5 Ų77.550%0.49539%0.385SS..Hα-helixtrans-62.3-45.1176.2-169.6-169.4152.300110.8D137 K138 Q139 S144 K145D137-E141 WeakPolarHBondContact O-CB 3.46Å; D137-E141 PolarHBondContact O-N 2.85Å; K138-E141 PolarHBondContact O-N 3.22Å; Q139-E141 VanDerWaalsContact C-N 3.34Å; Q139-E141 PolarHBondContact O-N 2.88Å; E141-S144 WeakPolarHBondContact O-CB 3.24Å; E141-S144 PolarHBondContact O-N 3.3Å; E141-K145 WeakPolarHBondContact O-CG 3.42Å; E141-K145 PolarHBondContact O-N 3.08Å; E141-K145 VanDerWaalsContact OE1-CE 3.24Å; E141-K145 WeakPolarHBondContact OE1-CE 3.24Å; E141-K145 IonicContact OE1-NZ 2.74Å; E141-K145 PolarHBondContact OE1-NZ 2.73Å
142L88.6Confident81Confident4 Ų473.1 Ų73.12%0.02137%0.365CS..Hα-helixtrans-66.9-40.8178.6-170.960.5000112.1K138 Q139 S144 K145 V146 T227 T230 L231 E235 W262K138-L142 PolarHBondContact O-N 2.99Å; Q139-L142 PolarHBondContact O-N 3.28Å; L142-S144 VanDerWaalsContact C-N 3.25Å; L142-S144 PolarHBondContact O-N 2.9Å; L142-K145 PolarHBondContact O-N 3.28Å; L142-K145 VanDerWaalsContact O-N 3.15Å; L142-V146 HydrophobicContact CD1-CG2 4.35Å; L142-V146 HydrophobicContact CG-CG2 4.35Å; L142-V146 WeakPolarHBondContact O-CB 3.5Å; L142-V146 WeakPolarHBondContact O-CG2 3.48Å; L142-V146 PolarHBondContact O-N 3.22Å; L142-T227 HydrophobicContact CD1-CG2 3.93Å; L142-T230 HydrophobicContact CD1-CG2 4.18Å; L142-L231 HydrophobicContact CD2-CD1 4.22Å; L142-E235 HydrophobicContact CD2-CG 3.57Å; L142-W262 HydrophobicContact CB-CZ2 4.4Å; L142-W262 HydrophobicContact CD2-CD2 3.95Å; L142-W262 HydrophobicContact CD2-CE3 3.65Å; L142-W262 HydrophobicContact CD2-CH2 3.99Å; L142-W262 HydrophobicContact CD2-CZ2 4.24Å; L142-W262 HydrophobicContact CD2-CZ3 3.7Å; L142-W262 HydrophobicContact CG-CD2 4.36Å; L142-W262 HydrophobicContact CG-CZ2 4.49Å
143D89.2Confident83.2Confident57 Ų5766.9 Ų66.931%0.30533%0.332SS..Hα-helixtrans-54.7-43.3171.5-84.9-42.4000111.7Q139 K140 R147 W262Q139-D143 PolarHBondContact O-N 3.12Å; K140-D143 PolarHBondContact O-N 2.59Å; D143-R147 VanDerWaalsContact O-CB 3.31Å; D143-R147 WeakPolarHBondContact O-CB 3.36Å; D143-R147 PolarHBondContact O-N 2.98Å; D143-W262 PolarHBondContact OD1-NE1 3.44Å
144S89.7Confident85.1Confident70 Ų7068 Ų6849%0.4933%0.333SS..Hα-helixtrans-65.6-42.7177.1-170.20000112.1K140 E141 L142 R147 N148K140-S144 PolarHBondContact O-N 3.5Å; E141-S144 WeakPolarHBondContact O-CB 3.24Å; E141-S144 PolarHBondContact O-N 3.3Å; L142-S144 VanDerWaalsContact C-N 3.25Å; L142-S144 PolarHBondContact O-N 2.9Å; S144-R147 PolarHBondContact O-N 3.46Å; S144-N148 WeakPolarHBondContact O-CB 3.31Å; S144-N148 PolarHBondContact O-N 3.02Å
145K91.1Very high86.6Confident59 Ų5967.9 Ų67.926%0.25733%0.334SS..Hα-helixtrans-63.7-46.5177.7-75.7171.1170167.50111.8E141 L142 R147 N148 V149 T227E141-K145 WeakPolarHBondContact O-CG 3.42Å; E141-K145 PolarHBondContact O-N 3.08Å; E141-K145 VanDerWaalsContact OE1-CE 3.24Å; E141-K145 WeakPolarHBondContact OE1-CE 3.24Å; E141-K145 IonicContact OE1-NZ 2.74Å; E141-K145 PolarHBondContact OE1-NZ 2.73Å; L142-K145 PolarHBondContact O-N 3.28Å; L142-K145 VanDerWaalsContact O-N 3.15Å; K145-R147 VanDerWaalsContact C-N 3.34Å; K145-R147 PolarHBondContact O-N 3.04Å; K145-N148 PolarHBondContact O-N 2.84Å; K145-V149 WeakPolarHBondContact O-CG2 3.49Å; K145-V149 PolarHBondContact O-N 3.17Å; K145-T227 HydrophobicContact CB-CG2 4.1Å
146V92.1Very high88Confident2 Ų264.5 Ų64.51%0.01232%0.317CS..Hα-helixtrans-62.8-41.6178171.50000110.9L142 V149 K150 T227 W262 I265 V266L142-V146 HydrophobicContact CD1-CG2 4.35Å; L142-V146 HydrophobicContact CG-CG2 4.35Å; L142-V146 WeakPolarHBondContact O-CB 3.5Å; L142-V146 WeakPolarHBondContact O-CG2 3.48Å; L142-V146 PolarHBondContact O-N 3.22Å; V146-V149 PolarHBondContact O-N 3.33Å; V146-K150 PolarHBondContact O-N 3.24Å; V146-T227 HydrophobicContact CG2-CG2 3.82Å; V146-W262 HydrophobicContact CG2-CB 4.26Å; V146-W262 HydrophobicContact CG2-CG 4.2Å; V146-I265 HydrophobicContact CG1-CB 3.71Å; V146-I265 HydrophobicContact CG1-CD1 3.9Å; V146-I265 HydrophobicContact CG1-CG1 4.43Å; V146-I265 HydrophobicContact CG1-CG2 3.5Å; V146-I265 VanDerWaalsContact CG1-CG2 3.5Å; V146-V266 HydrophobicContact CG1-CG2 4.43Å; V146-V266 HydrophobicContact CG2-CG2 4.26Å
147R90.4Very high89.2Confident148 Ų14862.8 Ų62.856%0.55831%0.307SS*.Hα-helixtrans-63.6-45.7174.9-169.2-177.5-57.91366.7112D143 S144 K145 V149 K150 D151D143-R147 VanDerWaalsContact O-CB 3.31Å; D143-R147 WeakPolarHBondContact O-CB 3.36Å; D143-R147 PolarHBondContact O-N 2.98Å; S144-R147 PolarHBondContact O-N 3.46Å; K145-R147 VanDerWaalsContact C-N 3.34Å; K145-R147 PolarHBondContact O-N 3.04Å; R147-V149 VanDerWaalsContact C-N 3.31Å; R147-V149 PolarHBondContact O-N 3.16Å; R147-K150 WeakPolarHBondContact O-CB 3.47Å; R147-K150 PolarHBondContact O-N 2.75Å; R147-K150 VanDerWaalsContact O-N 3.1Å; R147-D151 VanDerWaalsContact O-CG 3.29Å; R147-D151 PolarHBondContact O-N 3.23Å
148N91.3Very high90.1Very high71 Ų7164.2 Ų64.238%0.3831%0.311SS..Hα-helixtrans-58.4-42.6177.9175.873000112.3S144 K145 K150 D151 Q152S144-N148 WeakPolarHBondContact O-CB 3.31Å; S144-N148 PolarHBondContact O-N 3.02Å; K145-N148 PolarHBondContact O-N 2.84Å; N148-K150 VanDerWaalsContact C-N 3.32Å; N148-K150 PolarHBondContact O-N 2.95Å; N148-D151 PolarHBondContact O-N 2.92Å; N148-Q152 PolarHBondContact ND2-NE2 2.94Å; N148-Q152 VanDerWaalsContact ND2-NE2 3.16Å; N148-Q152 WeakPolarHBondContact O-CB 3.4Å; N148-Q152 VanDerWaalsContact O-CG 3.3Å; N148-Q152 WeakPolarHBondContact O-CG 3.35Å; N148-Q152 PolarHBondContact O-N 3.35Å
149V92.7Very high90.8Very high0 Ų061.4 Ų61.40%030%0.299CS..Hα-helixtrans-59.5-43.4175.3163.30000111.5K145 V146 R147 Q152 V153 L220 I224 T269K145-V149 WeakPolarHBondContact O-CG2 3.49Å; K145-V149 PolarHBondContact O-N 3.17Å; V146-V149 PolarHBondContact O-N 3.33Å; R147-V149 VanDerWaalsContact C-N 3.31Å; R147-V149 PolarHBondContact O-N 3.16Å; V149-Q152 PolarHBondContact O-N 3.37Å; V149-V153 PolarHBondContact O-N 3.39Å; V149-L220 HydrophobicContact CB-CD1 4.46Å; V149-L220 HydrophobicContact CG1-CD1 4.1Å; V149-I224 HydrophobicContact CB-CG1 4.47Å; V149-I224 HydrophobicContact CG1-CD1 4.09Å; V149-I224 HydrophobicContact CG1-CG1 3.47Å; V149-I224 VanDerWaalsContact CG1-CG1 3.47Å; V149-I224 HydrophobicContact CG2-CG1 4.14Å; V149-T269 HydrophobicContact CG1-CG2 3.45Å; V149-T269 VanDerWaalsContact CG1-CG2 3.45Å
150K91.8Very high91.4Very high87 Ų8759.5 Ų59.538%0.37829%0.29SS..Hα-helixtrans-63.3-44.1176.3-176.7179.5179.2169.90112.2V146 R147 N148 Q152 V153 M154 I265V146-K150 PolarHBondContact O-N 3.24Å; R147-K150 WeakPolarHBondContact O-CB 3.47Å; R147-K150 PolarHBondContact O-N 2.75Å; R147-K150 VanDerWaalsContact O-N 3.1Å; N148-K150 VanDerWaalsContact C-N 3.32Å; N148-K150 PolarHBondContact O-N 2.95Å; K150-Q152 VanDerWaalsContact C-N 3.34Å; K150-Q152 PolarHBondContact O-N 3.47Å; K150-V153 WeakPolarHBondContact O-CG1 3.26Å; K150-V153 PolarHBondContact O-N 3Å; K150-M154 WeakPolarHBondContact O-CG 3.3Å; K150-M154 PolarHBondContact O-N 2.88Å; K150-I265 HydrophobicContact CB-CG2 4.01Å; K150-I265 HydrophobicContact CD-CG2 4.13Å; K150-I265 HydrophobicContact CG-CG2 4.43Å
151D91.5Very high91.9Very high87 Ų8757.9 Ų57.947%0.46528%0.283SS..Hα-helixtrans-66.8-38.4-178.9-63.6-23000111.3R147 N148 M154 C155R147-D151 VanDerWaalsContact O-CG 3.29Å; R147-D151 PolarHBondContact O-N 3.23Å; N148-D151 PolarHBondContact O-N 2.92Å; D151-M154 PolarHBondContact O-N 3.3Å; D151-C155 PolarHBondContact O-N 3.23Å; D151-C155 VanDerWaalsContact O-N 3.07Å
152Q92.6Very high92.2Very high61 Ų6155.9 Ų55.929%0.28528%0.279SS..Hα-helixtrans-64.2-40.9176.6-75.6-178.8-0.700112.9N148 V149 K150 C155 I156 L220N148-Q152 PolarHBondContact ND2-NE2 2.94Å; N148-Q152 VanDerWaalsContact ND2-NE2 3.16Å; N148-Q152 WeakPolarHBondContact O-CB 3.4Å; N148-Q152 VanDerWaalsContact O-CG 3.3Å; N148-Q152 WeakPolarHBondContact O-CG 3.35Å; N148-Q152 PolarHBondContact O-N 3.35Å; V149-Q152 PolarHBondContact O-N 3.37Å; K150-Q152 VanDerWaalsContact C-N 3.34Å; K150-Q152 PolarHBondContact O-N 3.47Å; Q152-C155 WeakPolarHBondContact O-CB 3.33Å; Q152-C155 PolarHBondContact O-N 3.48Å; Q152-I156 WeakPolarHBondContact O-CG1 3.38Å; Q152-I156 PolarHBondContact O-N 3.39Å; Q152-L220 HydrophobicContact CB-CD1 3.79Å
153V93.7Very high92.5Very high0 Ų055.8 Ų55.80%028%0.278CS..Hα-helixtrans-67.8-36.3178.371.60000112.1V149 K150 C155 I156 E157 L220 T269 Q272 I273V149-V153 PolarHBondContact O-N 3.39Å; K150-V153 WeakPolarHBondContact O-CG1 3.26Å; K150-V153 PolarHBondContact O-N 3Å; V153-C155 VanDerWaalsContact C-N 3.32Å; V153-C155 PolarHBondContact O-N 2.91Å; V153-I156 PolarHBondContact O-N 3.16Å; V153-E157 PolarHBondContact O-N 3.4Å; V153-L220 HydrophobicContact CB-CD2 3.81Å; V153-L220 HydrophobicContact CG2-CD2 4.16Å; V153-T269 HydrophobicContact CB-CG2 3.65Å; V153-T269 HydrophobicContact CG1-CG2 3.55Å; V153-T269 HydrophobicContact CG2-CG2 4.13Å; V153-Q272 HydrophobicContact CG2-CB 3.92Å; V153-Q272 HydrophobicContact CG2-CG 3.78Å; V153-I273 HydrophobicContact CG2-CG1 3.81Å
154M91.4Very high92.8Very high105 Ų10555.2 Ų55.252%0.51727%0.273SS..Hα-helixtrans-64.1-38.6174-70.2-174.76500111.9K150 D151 E157 Q158K150-M154 WeakPolarHBondContact O-CG 3.3Å; K150-M154 PolarHBondContact O-N 2.88Å; D151-M154 PolarHBondContact O-N 3.3Å; M154-E157 PolarHBondContact O-N 2.87Å; M154-Q158 PolarHBondContact O-N 3.24Å; M154-Q158 VanDerWaalsContact O-N 3.13Å
155C92.8Very high93Very high66 Ų6658.2 Ų58.245%0.44628%0.28SS..Hα-helixtrans-61.6-46.9174.5-171.90000111.6D151 Q152 V153 E157 Q158 E159D151-C155 PolarHBondContact O-N 3.23Å; D151-C155 VanDerWaalsContact O-N 3.07Å; Q152-C155 WeakPolarHBondContact O-CB 3.33Å; Q152-C155 PolarHBondContact O-N 3.48Å; V153-C155 VanDerWaalsContact C-N 3.32Å; V153-C155 PolarHBondContact O-N 2.91Å; C155-E157 PolarHBondContact O-N 3.3Å; C155-Q158 PolarHBondContact O-N 3.21Å; C155-E159 PolarHBondContact O-N 3.2Å
156I93.5Very high93.2Very high5 Ų556.7 Ų56.73%0.02627%0.274CS..Hα-helixtrans-61.9-42.2177.6-68.3170.4000111.5Q152 V153 Q158 E159 I160 I213 K216 I217 L220Q152-I156 WeakPolarHBondContact O-CG1 3.38Å; Q152-I156 PolarHBondContact O-N 3.39Å; V153-I156 PolarHBondContact O-N 3.16Å; I156-Q158 VanDerWaalsContact C-N 3.3Å; I156-Q158 PolarHBondContact O-N 2.92Å; I156-E159 PolarHBondContact O-N 3.43Å; I156-I160 HydrophobicContact CG2-CD1 3.82Å; I156-I160 HydrophobicContact CG2-CG1 4.38Å; I156-I160 WeakPolarHBondContact O-CG1 3.19Å; I156-I160 PolarHBondContact O-N 2.99Å; I156-I213 HydrophobicContact CG2-CG2 4.44Å; I156-K216 HydrophobicContact CD1-CB 3.96Å; I156-K216 HydrophobicContact CG1-CB 3.93Å; I156-I217 HydrophobicContact CD1-CG1 4.01Å; I156-I217 HydrophobicContact CG2-CD1 4.26Å; I156-I217 HydrophobicContact CG2-CG1 3.83Å; I156-L220 HydrophobicContact CD1-CB 4.13Å; I156-L220 HydrophobicContact CD1-CD2 3.59Å
157E93.5Very high93.3Very high55 Ų5556.8 Ų56.826%0.25728%0.275SS..Hα-helixtrans-58.3-44176.1-177.5-172.1163.200111.4V153 M154 C155 E159 I160 K161 Q272V153-E157 PolarHBondContact O-N 3.4Å; M154-E157 PolarHBondContact O-N 2.87Å; C155-E157 PolarHBondContact O-N 3.3Å; E157-E159 VanDerWaalsContact C-N 3.32Å; E157-E159 PolarHBondContact O-N 3.06Å; E157-I160 PolarHBondContact O-N 3.37Å; E157-K161 WeakPolarHBondContact O-CG 3.26Å; E157-K161 PolarHBondContact O-N 3.06Å; E157-K161 VanDerWaalsContact OE1-CE 3.3Å; E157-K161 WeakPolarHBondContact OE1-CE 3.45Å; E157-K161 IonicContact OE1-NZ 2.65Å; E157-K161 PolarHBondContact OE1-NZ 3.45Å; E157-Q272 PolarHBondContact OE2-NE2 3.2Å
158Q94Very high93.4Very high112 Ų11252.9 Ų52.952%0.52327%0.265SS..Hα-helixtrans-65.1-37.6178.2-171.759.529.200112.1M154 C155 I156 K161 T162M154-Q158 PolarHBondContact O-N 3.24Å; M154-Q158 VanDerWaalsContact O-N 3.13Å; C155-Q158 PolarHBondContact O-N 3.21Å; I156-Q158 VanDerWaalsContact C-N 3.3Å; I156-Q158 PolarHBondContact O-N 2.92Å; Q158-K161 PolarHBondContact O-N 3.44Å; Q158-T162 PolarHBondContact O-N 3.31Å; Q158-T162 VanDerWaalsContact O-N 3.07Å; Q158-T162 PolarHBondContact O-OG1 3.1Å
159E93.8Very high93.5Very high32 Ų3253.9 Ų53.915%0.1527%0.267CS..Hα-helixtrans-68.4-36.5175.5-72.3179.7-157.700112.7C155 I156 E157 T162 L163 I213 K216C155-E159 PolarHBondContact O-N 3.2Å; I156-E159 PolarHBondContact O-N 3.43Å; E157-E159 VanDerWaalsContact C-N 3.32Å; E157-E159 PolarHBondContact O-N 3.06Å; E159-T162 WeakPolarHBondContact O-CB 3.44Å; E159-T162 PolarHBondContact O-N 3.29Å; E159-L163 WeakPolarHBondContact O-CB 3.39Å; E159-L163 PolarHBondContact O-N 3.36Å; E159-I213 HydrophobicContact CB-CD1 4.24Å; E159-I213 HydrophobicContact CB-CG1 4.02Å; E159-K216 IonicContact OE1-NZ 2.84Å; E159-K216 PolarHBondContact OE1-NZ 3.15Å; E159-K216 WeakPolarHBondContact OE2-CD 3.36Å; E159-K216 IonicContact OE2-NZ 3.63Å; E159-K216 PolarHBondContact OE2-NZ 3.47Å
160I94.1Very high93.5Very high2 Ų255.3 Ų55.31%0.0127%0.273CS..Hα-helixtrans-66.3-40175-72.8171.8000111.1I156 E157 T162 L163 E164 I213 Q276 K279 L280I156-I160 HydrophobicContact CG2-CD1 3.82Å; I156-I160 HydrophobicContact CG2-CG1 4.38Å; I156-I160 WeakPolarHBondContact O-CG1 3.19Å; I156-I160 PolarHBondContact O-N 2.99Å; E157-I160 PolarHBondContact O-N 3.37Å; I160-T162 VanDerWaalsContact C-N 3.32Å; I160-T162 PolarHBondContact O-N 2.93Å; I160-L163 WeakPolarHBondContact O-CB 3.49Å; I160-L163 PolarHBondContact O-N 3.38Å; I160-E164 PolarHBondContact O-N 3.1Å; I160-I213 HydrophobicContact CD1-CG2 4.06Å; I160-I213 HydrophobicContact CG1-CD1 4.07Å; I160-I213 HydrophobicContact CG1-CG2 3.8Å; I160-Q276 HydrophobicContact CD1-CB 3.51Å; I160-Q276 HydrophobicContact CD1-CG 3.84Å; I160-K279 HydrophobicContact CG2-CB 4.28Å; I160-K279 HydrophobicContact CG2-CG 3.79Å; I160-L280 HydrophobicContact CD1-CD1 4.38Å; I160-L280 HydrophobicContact CD1-CD2 4.41Å; I160-L280 HydrophobicContact CD1-CG 4.22Å; I160-L280 HydrophobicContact CG1-CD2 4.28Å
161K93.9Very high93.5Very high86 Ų8654.3 Ų54.337%0.37427%0.272SS..Hα-helixtrans-59.3-45.1171.8-71.6172.6-173.5163.50111.4E157 Q158 L163 E164 E165E157-K161 WeakPolarHBondContact O-CG 3.26Å; E157-K161 PolarHBondContact O-N 3.06Å; E157-K161 VanDerWaalsContact OE1-CE 3.3Å; E157-K161 WeakPolarHBondContact OE1-CE 3.45Å; E157-K161 IonicContact OE1-NZ 2.65Å; E157-K161 PolarHBondContact OE1-NZ 3.45Å; Q158-K161 PolarHBondContact O-N 3.44Å; K161-L163 VanDerWaalsContact C-N 3.31Å; K161-L163 PolarHBondContact O-N 2.99Å; K161-E164 PolarHBondContact O-N 3.13Å; K161-E165 WeakPolarHBondContact O-CG 3.45Å; K161-E165 PolarHBondContact O-N 3.27Å
162T94.6Very high93.5Very high65 Ų6556.9 Ų56.940%0.39928%0.279SS..Hα-helixtrans-63.6-37.7177-49.20000111.8Q158 E159 I160 L166Q158-T162 PolarHBondContact O-N 3.31Å; Q158-T162 VanDerWaalsContact O-N 3.07Å; Q158-T162 PolarHBondContact O-OG1 3.1Å; E159-T162 WeakPolarHBondContact O-CB 3.44Å; E159-T162 PolarHBondContact O-N 3.29Å; I160-T162 VanDerWaalsContact C-N 3.32Å; I160-T162 PolarHBondContact O-N 2.93Å; T162-L166 WeakPolarHBondContact O-CB 3.42Å; T162-L166 PolarHBondContact O-N 3.13Å
163L95.3Very high93.3Very high1 Ų157 Ų571%0.00528%0.278CS..Hα-helixtrans-65.7-42.8175174.467.7000111.4E159 I160 K161 L166 Q167 L206 K209 R210 I213 L280 L283E159-L163 WeakPolarHBondContact O-CB 3.39Å; E159-L163 PolarHBondContact O-N 3.36Å; I160-L163 WeakPolarHBondContact O-CB 3.49Å; I160-L163 PolarHBondContact O-N 3.38Å; K161-L163 VanDerWaalsContact C-N 3.31Å; K161-L163 PolarHBondContact O-N 2.99Å; L163-L166 PolarHBondContact O-N 3.42Å; L163-Q167 VanDerWaalsContact O-CB 3.32Å; L163-Q167 WeakPolarHBondContact O-CB 3.3Å; L163-Q167 PolarHBondContact O-N 3.24Å; L163-L206 HydrophobicContact CD1-CD2 3.73Å; L163-K209 HydrophobicContact CD1-CB 3.9Å; L163-R210 HydrophobicContact CD1-CG 3.96Å; L163-R210 HydrophobicContact CD2-CG 3.84Å; L163-I213 HydrophobicContact CB-CD1 3.79Å; L163-I213 HydrophobicContact CD2-CD1 3.66Å; L163-I213 HydrophobicContact CG-CD1 4.26Å; L163-L280 HydrophobicContact CD2-CD2 3.96Å; L163-L283 HydrophobicContact CD2-CD1 3.82Å; L163-L283 HydrophobicContact CG-CD1 4.03Å
164E95.2Very high92.9Very high45 Ų4557.9 Ų57.921%0.2129%0.285CS..Hα-helixtrans-60.5-49.2176.7176.7167-146.800111.2I160 K161 L166 Q167 D168 K279 L283 K286I160-E164 PolarHBondContact O-N 3.1Å; K161-E164 PolarHBondContact O-N 3.13Å; E164-L166 VanDerWaalsContact C-N 3.35Å; E164-L166 PolarHBondContact O-N 3.01Å; E164-Q167 PolarHBondContact O-N 3.46Å; E164-Q167 VanDerWaalsContact O-N 3.15Å; E164-D168 PolarHBondContact O-N 2.92Å; E164-K279 WeakPolarHBondContact OE1-CE 3.22Å; E164-K279 IonicContact OE1-NZ 4Å; E164-K279 PolarHBondContact OE1-NZ 3.16Å; E164-K279 WeakPolarHBondContact OE2-CE 3.33Å; E164-K279 IonicContact OE2-NZ 3.62Å; E164-K279 PolarHBondContact OE2-NZ 3.26Å; E164-L283 HydrophobicContact CB-CD1 4.35Å; E164-L283 HydrophobicContact CB-CD2 4.04Å; E164-L283 HydrophobicContact CG-CD2 4.03Å; E164-K286 IonicContact OE1-NZ 3.42Å
165E95.1Very high92.7Very high134 Ų13458.1 Ų58.163%0.62628%0.283SS*.Hα-helixtrans-57.9-45.7176.5-71172.6-172.500112K161 Q167 D168 E169K161-E165 WeakPolarHBondContact O-CG 3.45Å; K161-E165 PolarHBondContact O-N 3.27Å; E165-Q167 VanDerWaalsContact C-N 3.29Å; E165-Q167 PolarHBondContact O-N 3.1Å; E165-D168 PolarHBondContact O-N 2.91Å; E165-E169 WeakPolarHBondContact O-CB 3.36Å; E165-E169 PolarHBondContact O-N 3.49Å
166L93.4Very high92.4Very high27 Ų2757.1 Ų57.114%0.14128%0.275CS..Hα-helixtrans-63.4-37.1178-176.166.3000111.9T162 L163 E164 Y170 M205 L206T162-L166 WeakPolarHBondContact O-CB 3.42Å; T162-L166 PolarHBondContact O-N 3.13Å; L163-L166 PolarHBondContact O-N 3.42Å; E164-L166 VanDerWaalsContact C-N 3.35Å; E164-L166 PolarHBondContact O-N 3.01Å; L166-Y170 WeakPolarHBondContact O-CB 3.44Å; L166-Y170 PolarHBondContact O-N 3.44Å; L166-M205 HydrophobicContact CD1-CE 4.46Å; L166-M205 HydrophobicContact CD2-CB 4.13Å; L166-L206 HydrophobicContact CB-CD2 4.1Å; L166-L206 HydrophobicContact CD2-CD2 3.81Å; L166-L206 HydrophobicContact CD2-CG 4.22Å; L166-L206 HydrophobicContact CG-CD2 3.76Å; L166-L206 HydrophobicContact CG-CG 4.27Å
167Q94.3Very high91.8Very high4 Ų457.5 Ų57.52%0.01928%0.278CS..Hα-helixtrans-72.9-39.7179.6-172.8172.1-47.200111.7L163 E164 E165 Y170 D171 L206 L283L163-Q167 VanDerWaalsContact O-CB 3.32Å; L163-Q167 WeakPolarHBondContact O-CB 3.3Å; L163-Q167 PolarHBondContact O-N 3.24Å; E164-Q167 PolarHBondContact O-N 3.46Å; E164-Q167 VanDerWaalsContact O-N 3.15Å; E165-Q167 VanDerWaalsContact C-N 3.29Å; E165-Q167 PolarHBondContact O-N 3.1Å; Q167-Y170 WeakPolarHBondContact O-CB 3.41Å; Q167-Y170 PolarHBondContact O-N 3.43Å; Q167-D171 WeakPolarHBondContact O-CB 3.38Å; Q167-D171 PolarHBondContact O-N 3.11Å; Q167-L206 HydrophobicContact CB-CD2 3.81Å; Q167-L206 HydrophobicContact CG-CD1 4.49Å; Q167-L206 HydrophobicContact CG-CD2 4.45Å; Q167-L283 PolarHBondContact NE2-O 3.48Å
168D93.9Very high91Very high66 Ų6661 Ų6135%0.35329%0.294SS..Hα-helixtrans-67.8-37.8175.5-71.2-19.2000110.9E164 E165 D171 F172 K286E164-D168 PolarHBondContact O-N 2.92Å; E165-D168 PolarHBondContact O-N 2.91Å; D168-D171 PolarHBondContact O-N 3.18Å; D168-F172 WeakPolarHBondContact O-CB 3.31Å; D168-F172 PolarHBondContact O-N 2.98Å; D168-K286 IonicContact OD1-NZ 2.64Å; D168-K286 PolarHBondContact OD1-NZ 3.46Å; D168-K286 IonicContact OD2-NZ 3.21Å
169E92.8Very high90.1Very high92 Ų9261.4 Ų61.443%0.4330%0.3SS..Hα-helixtrans-63.9-41.2172.2-165.2-165156.100111.7E165 F172 K173 M202E165-E169 WeakPolarHBondContact O-CB 3.36Å; E165-E169 PolarHBondContact O-N 3.49Å; E169-F172 PolarHBondContact O-N 3.04Å; E169-K173 WeakPolarHBondContact O-CB 3.49Å; E169-K173 PolarHBondContact O-N 2.87Å; E169-K173 WeakPolarHBondContact OE1-CE 3.18Å; E169-K173 IonicContact OE1-NZ 2.67Å; E169-K173 PolarHBondContact OE1-NZ 3.44Å; E169-M202 HydrophobicContact CB-CE 4.33Å; E169-M202 HydrophobicContact CG-CE 4.21Å
170Y91.9Very high89Confident30 Ų3067 Ų6712%0.11832%0.319CS..Hα-helixtrans-62.9-46175.6175.2-103000112.1L166 Q167 K173 C174 L199 M202 F203 L206 F287L166-Y170 WeakPolarHBondContact O-CB 3.44Å; L166-Y170 PolarHBondContact O-N 3.44Å; Q167-Y170 WeakPolarHBondContact O-CB 3.41Å; Q167-Y170 PolarHBondContact O-N 3.43Å; Y170-K173 PolarHBondContact O-N 3.09Å; Y170-C174 WeakPolarHBondContact O-CB 3.31Å; Y170-C174 PolarHBondContact O-N 3.5Å; Y170-C174 PolarHBondContact O-SG 3.11Å; Y170-L199 HydrophobicContact CD2-CD2 4.45Å; Y170-L199 HydrophobicContact CE2-CB 4.46Å; Y170-L199 HydrophobicContact CE2-CD2 4.24Å; Y170-L199 WeakPolarHBondContact CE2-O 3.43Å; Y170-M202 HydrophobicContact CD2-CB 3.55Å; Y170-M202 HydrophobicContact CD2-CE 4.44Å; Y170-M202 HydrophobicContact CD2-SD 4.44Å; Y170-M202 HydrophobicContact CE2-CB 4.12Å; Y170-F203 HydrophobicContact CE2-CB 4.34Å; Y170-L206 HydrophobicContact CD1-CD1 3.73Å; Y170-L206 HydrophobicContact CD2-CD1 4.37Å; Y170-L206 HydrophobicContact CE1-CD1 4.37Å; Y170-L206 HydrophobicContact CG-CD1 3.71Å; Y170-F287 HydrophobicContact CE1-CD2 4.3Å; Y170-F287 HydrophobicContact CE1-CE1 4.36Å; Y170-F287 AromaticContact CE1-CE2 3.9Å; Y170-F287 HydrophobicContact CE1-CE2 3.9Å; Y170-F287 AromaticContact CE1-CZ 3.93Å; Y170-F287 HydrophobicContact CE1-CZ 3.93Å
171D92.1Very high87.4Confident65 Ų6572.5 Ų72.535%0.34835%0.345SS..Hα-helixtrans-62.3-44.5176.7177.760000111.3Q167 D168 K173 C174 K175Q167-D171 WeakPolarHBondContact O-CB 3.38Å; Q167-D171 PolarHBondContact O-N 3.11Å; D168-D171 PolarHBondContact O-N 3.18Å; D171-K173 PolarHBondContact O-N 3.32Å; D171-C174 PolarHBondContact O-N 2.73Å; D171-K175 WeakPolarHBondContact O-CB 3.01Å; D171-K175 WeakPolarHBondContact O-CG 3.43Å; D171-K175 PolarHBondContact O-N 2.95Å; D171-K175 WeakPolarHBondContact OD1-CE 3.48Å; D171-K175 IonicContact OD1-NZ 2.9Å; D171-K175 PolarHBondContact OD1-NZ 3.42Å; D171-K175 VanDerWaalsContact OD2-CE 3.28Å; D171-K175 WeakPolarHBondContact OD2-CE 3.43Å; D171-K175 IonicContact OD2-NZ 3.18Å; D171-K175 PolarHBondContact OD2-NZ 3.34Å
172F91.9Very high85.6Confident141 Ų14171.7 Ų71.762%0.61836%0.361SS*.Hα-helixtrans-59-45.4175.7-179.8-98.1000112D168 E169 K175 T176D168-F172 WeakPolarHBondContact O-CB 3.31Å; D168-F172 PolarHBondContact O-N 2.98Å; E169-F172 PolarHBondContact O-N 3.04Å; F172-K175 PolarHBondContact O-N 3.37Å; F172-T176 WeakPolarHBondContact O-CB 3.31Å; F172-T176 PolarHBondContact O-N 3.37Å; F172-T176 PolarHBondContact O-OG1 2.8Å
173K88.2Confident83.7Confident63 Ų6375.7 Ų75.727%0.27438%0.375SS..Hα-helixtrans-64.8-45.6176.5-82.9173.8172.2163.60111.9E169 Y170 D171 K175 T176 S177 L199 M202E169-K173 WeakPolarHBondContact O-CB 3.49Å; E169-K173 PolarHBondContact O-N 2.87Å; E169-K173 WeakPolarHBondContact OE1-CE 3.18Å; E169-K173 IonicContact OE1-NZ 2.67Å; E169-K173 PolarHBondContact OE1-NZ 3.44Å; Y170-K173 PolarHBondContact O-N 3.09Å; D171-K173 PolarHBondContact O-N 3.32Å; K173-K175 PolarHBondContact O-N 2.93Å; K173-T176 PolarHBondContact O-N 3.05Å; K173-S177 PolarHBondContact O-N 3.17Å; K173-S177 PolarHBondContact O-OG 3.45Å; K173-S177 VanDerWaalsContact O-OG 3.06Å; K173-L199 HydrophobicContact CB-CD2 4.08Å; K173-M202 HydrophobicContact CD-CE 3.88Å; K173-M202 HydrophobicContact CD-SD 3.43Å; K173-M202 WeakPolarHBondContact CD-SD 3.4Å
174C85.8Confident81.4Confident20 Ų2080.8 Ų80.814%0.13542%0.418CS..Hα-helixtrans-55.2-49.7175.6-75.60000111.8Y170 D171 T176 S177 Q178Y170-C174 WeakPolarHBondContact O-CB 3.31Å; Y170-C174 PolarHBondContact O-N 3.5Å; Y170-C174 PolarHBondContact O-SG 3.11Å; D171-C174 PolarHBondContact O-N 2.73Å; C174-T176 VanDerWaalsContact C-N 3.34Å; C174-T176 PolarHBondContact O-N 3.49Å; C174-S177 PolarHBondContact O-N 2.95Å; C174-Q178 WeakPolarHBondContact O-CB 3.45Å; C174-Q178 VanDerWaalsContact O-CG 3.29Å; C174-Q178 WeakPolarHBondContact O-CG 3.3Å; C174-Q178 PolarHBondContact O-N 2.83Å
175K87.9Confident79.4Confident109 Ų10985.6 Ų85.647%0.47445%0.445SS..Hα-helixtrans-62.5-40.2177.8-73.1171.5177.21650112.1D171 F172 K173 N179D171-K175 WeakPolarHBondContact O-CB 3.01Å; D171-K175 WeakPolarHBondContact O-CG 3.43Å; D171-K175 PolarHBondContact O-N 2.95Å; D171-K175 WeakPolarHBondContact OD1-CE 3.48Å; D171-K175 IonicContact OD1-NZ 2.9Å; D171-K175 PolarHBondContact OD1-NZ 3.42Å; D171-K175 VanDerWaalsContact OD2-CE 3.28Å; D171-K175 WeakPolarHBondContact OD2-CE 3.43Å; D171-K175 IonicContact OD2-NZ 3.18Å; D171-K175 PolarHBondContact OD2-NZ 3.34Å; F172-K175 PolarHBondContact O-N 3.37Å; K173-K175 PolarHBondContact O-N 2.93Å; K175-N179 WeakPolarHBondContact O-CB 3.38Å; K175-N179 PolarHBondContact O-N 2.97Å; K175-N179 PolarHBondContact O-ND2 3.33Å
176T86.3Confident77.5Confident45 Ų4583.2 Ų83.228%0.27646%0.456SS..Hα-helixtrans-65-44.4178.1-57.20000111.8F172 K173 C174 N179 R180F172-T176 WeakPolarHBondContact O-CB 3.31Å; F172-T176 PolarHBondContact O-N 3.37Å; F172-T176 PolarHBondContact O-OG1 2.8Å; K173-T176 PolarHBondContact O-N 3.05Å; C174-T176 VanDerWaalsContact C-N 3.34Å; C174-T176 PolarHBondContact O-N 3.49Å; T176-N179 PolarHBondContact O-N 2.97Å; T176-R180 WeakPolarHBondContact O-CG 3.39Å; T176-R180 PolarHBondContact O-N 2.96Å
177S79.7Confident75.6Confident13 Ų1385.4 Ų85.49%0.09147%0.471CS..Hα-helixtrans-66.2-42.5177.4-55.70000111.8K173 C174 N179 R180 E181 E195K173-S177 PolarHBondContact O-N 3.17Å; K173-S177 PolarHBondContact O-OG 3.45Å; K173-S177 VanDerWaalsContact O-OG 3.06Å; C174-S177 PolarHBondContact O-N 2.95Å; S177-N179 PolarHBondContact O-N 2.69Å; S177-R180 PolarHBondContact O-N 3.15Å; S177-E181 PolarHBondContact O-N 2.88Å; S177-E195 WeakPolarHBondContact CB-OE1 3.44Å; S177-E195 VanDerWaalsContact OG-CD 3.26Å; S177-E195 PolarHBondContact OG-OE1 2.91Å
178Q77.1Confident74Confident130 Ų13087.8 Ų87.861%0.60749%0.491SS*.Hα-helixtrans-63.3-39.4176.3-73.7174.7700112.8C174 R180 E181C174-Q178 WeakPolarHBondContact O-CB 3.45Å; C174-Q178 VanDerWaalsContact O-CG 3.29Å; C174-Q178 WeakPolarHBondContact O-CG 3.3Å; C174-Q178 PolarHBondContact O-N 2.83Å; Q178-R180 VanDerWaalsContact C-N 3.31Å; Q178-R180 PolarHBondContact O-N 2.67Å; Q178-E181 PolarHBondContact O-N 3.23Å
179N75.8Confident72.5Confident120 Ų12093.1 Ų93.164%0.64251%0.511SS*.Hα-helixtrans-66.6-32.4177-73.9-24.6000112.5K175 T176 S177 G182K175-N179 WeakPolarHBondContact O-CB 3.38Å; K175-N179 PolarHBondContact O-N 2.97Å; K175-N179 PolarHBondContact O-ND2 3.33Å; T176-N179 PolarHBondContact O-N 2.97Å; S177-N179 PolarHBondContact O-N 2.69Å; N179-G182 PolarHBondContact O-N 2.96Å
180R69.8Low71.1Confident148 Ų14892.3 Ų92.356%0.55852%0.515SS*.Hα-helixtrans-73.1-31.5176.2-77177.7174.8178.9-1.5113.3T176 S177 Q178 G182 E183T176-R180 WeakPolarHBondContact O-CG 3.39Å; T176-R180 PolarHBondContact O-N 2.96Å; S177-R180 PolarHBondContact O-N 3.15Å; Q178-R180 VanDerWaalsContact C-N 3.31Å; Q178-R180 PolarHBondContact O-N 2.67Å; R180-G182 PolarHBondContact O-N 2.97Å; R180-E183 PolarHBondContact O-N 3.01Å
181E60.4Low69.9Low118 Ų11894.8 Ų94.855%0.55153%0.531SS*.Hα-helixtrans-67.1-19.4174.1-71.9-174.4157.900112.9S177 Q178S177-E181 PolarHBondContact O-N 2.88Å; Q178-E181 PolarHBondContact O-N 3.23Å
182G55.9Low68.8Low69 Ų6994.9 Ų94.971%0.71153%0.529SS*.THydrogen-bonded Turntrans-83.3-12.5175.200000115.5N179 R180N179-G182 PolarHBondContact O-N 2.96Å; R180-G182 PolarHBondContact O-N 2.97Å
183E54.4Low67.9Low149 Ų14995.2 Ų95.270%0.69653%0.53SS*.SBendtrans-90.2122.4177.4-71.5-173.5162.600110.8R180 N185R180-E183 PolarHBondContact O-N 3.01Å; E183-N185 PolarHBondContact O-N 3.27Å
184A48.1Very low67.3Low108 Ų10898.9 Ų98.989%0.89355%0.548SS*.SBendtrans-68.417.9-171.300000116.3
185N52.7Low67Low146 Ų146100.5 Ų100.578%0.78155%0.554SS**SBendtrans-104.9115.6176.4-86.1-19.2000110.8E183 V187E183-N185 PolarHBondContact O-N 3.27Å; N185-V187 PolarHBondContact O-N 2.99Å
186G54.6Low66.6Low84 Ų84101.1 Ų101.187%0.86656%0.558SS**  trans-55.7107.1-171.700000114.4
187V55.3Low66.5Low74 Ų74104.7 Ų104.745%0.44858%0.575SS.*  trans-71.4139.4158.5-178.20000108.3N185 K189 D191N185-V187 PolarHBondContact O-N 2.99Å; V187-K189 PolarHBondContact O-N 3.38Å; V187-D191 HydrophobicContact CG1-CB 3.87Å
188A60.4Low66.9Low53 Ų53108.1 Ų108.144%0.43859%0.592SS.*  trans-61.1135.917800000110.6S190 D191 Q192A188-S190 PolarHBondContact O-N 3.23Å; A188-D191 PolarHBondContact O-N 3.22Å; A188-Q192 PolarHBondContact O-N 3.39Å
189K61.6Low67.3Low179 Ų179103.5 Ų103.578%0.77857%0.571SS**Hα-helixtrans-55.9-18.8179.3-74.5-176.6177.4179.60114.3V187V187-K189 PolarHBondContact O-N 3.38Å
190S63.2Low67.9Low74 Ų74103.4 Ų103.452%0.51757%0.567SS.*Hα-helixtrans-70.2-39.6172.956.50000112.3A188 K193 Q194A188-S190 PolarHBondContact O-N 3.23Å; S190-K193 PolarHBondContact O-N 3.22Å; S190-Q194 PolarHBondContact O-N 2.94Å; S190-Q194 VanDerWaalsContact O-N 3.12Å
191D67.3Low68.9Low82 Ų82102.9 Ų102.944%0.43957%0.569SS.*Hα-helixtrans-76.7-36.9-171.9-60.1-7.9000110.1V187 A188 K193 Q194 E195V187-D191 HydrophobicContact CG1-CB 3.87Å; A188-D191 PolarHBondContact O-N 3.22Å; D191-K193 PolarHBondContact O-N 2.69Å; D191-Q194 PolarHBondContact O-N 2.92Å; D191-E195 WeakPolarHBondContact O-CB 3.28Å; D191-E195 PolarHBondContact O-N 2.92Å
192Q67.8Low70.4Confident68 Ų6897.8 Ų97.832%0.31855%0.545SS..Hα-helixtrans-59.2-41.5169.8-90.7-179.3-29.200113A188 E195 Q196A188-Q192 PolarHBondContact O-N 3.39Å; Q192-E195 PolarHBondContact O-N 2.74Å; Q192-Q196 WeakPolarHBondContact O-CG 3.09Å; Q192-Q196 PolarHBondContact O-N 2.79Å
193K73.6Confident72.1Confident148 Ų14896.9 Ų96.964%0.64352%0.522SS*.Hα-helixtrans-67-38.1177-79.2-173.5176.5-175.30112S190 D191 E195 L197S190-K193 PolarHBondContact O-N 3.22Å; D191-K193 PolarHBondContact O-N 2.69Å; K193-E195 VanDerWaalsContact C-N 3.34Å; K193-L197 WeakPolarHBondContact O-CG 3.42Å; K193-L197 PolarHBondContact O-N 2.91Å; K193-L197 VanDerWaalsContact O-N 3.08Å
194Q76.8Confident73.9Confident139 Ų13993.8 Ų93.865%0.6551%0.51SS*.Hα-helixtrans-68.7-35.8178.3-167.1168.3-9.200111.6S190 D191 L197 L198S190-Q194 PolarHBondContact O-N 2.94Å; S190-Q194 VanDerWaalsContact O-N 3.12Å; D191-Q194 PolarHBondContact O-N 2.92Å; Q194-L197 PolarHBondContact O-N 2.94Å; Q194-L198 PolarHBondContact O-N 2.98Å; Q194-L198 VanDerWaalsContact O-N 3.1Å
195E77.7Confident76.1Confident54 Ų5492.9 Ų92.925%0.25249%0.488SS..Hα-helixtrans-69.5-42.4175.3-160.7168.5-166.700112S177 D191 Q192 K193 L197 L198 L199S177-E195 WeakPolarHBondContact CB-OE1 3.44Å; S177-E195 VanDerWaalsContact OG-CD 3.26Å; S177-E195 PolarHBondContact OG-OE1 2.91Å; D191-E195 WeakPolarHBondContact O-CB 3.28Å; D191-E195 PolarHBondContact O-N 2.92Å; Q192-E195 PolarHBondContact O-N 2.74Å; K193-E195 VanDerWaalsContact C-N 3.34Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 3.36Å; E195-L198 WeakPolarHBondContact O-CB 3.41Å; E195-L198 PolarHBondContact O-N 2.98Å; E195-L198 VanDerWaalsContact O-N 3.16Å; E195-L199 WeakPolarHBondContact O-CG 3.29Å; E195-L199 PolarHBondContact O-N 3.05Å
196Q79.9Confident78Confident122 Ų12286 Ų8657%0.5745%0.451SS*.Hα-helixtrans-60.8-39.8172.5-77.3-179.2-5.300112.9Q192 L198 L199 H200Q192-Q196 WeakPolarHBondContact O-CG 3.09Å; Q192-Q196 PolarHBondContact O-N 2.79Å; Q196-L198 VanDerWaalsContact C-N 3.33Å; Q196-L199 PolarHBondContact O-N 2.64Å; Q196-H200 WeakPolarHBondContact O-CB 3.27Å; Q196-H200 PolarHBondContact O-N 3.12Å
197L85.3Confident79.8Confident121 Ų12182.6 Ų82.663%0.63441%0.413SS*.Hα-helixtrans-63.7-38.5174.7-77.6163.8000112K193 Q194 E195 K201K193-L197 WeakPolarHBondContact O-CG 3.42Å; K193-L197 PolarHBondContact O-N 2.91Å; K193-L197 VanDerWaalsContact O-N 3.08Å; Q194-L197 PolarHBondContact O-N 2.94Å; E195-L197 VanDerWaalsContact C-N 3.34Å; E195-L197 PolarHBondContact O-N 3.36Å; L197-K201 WeakPolarHBondContact O-CB 3.48Å; L197-K201 PolarHBondContact O-N 3.07Å
198L87Confident81.7Confident84 Ų8483.2 Ų83.244%0.4441%0.414SS..Hα-helixtrans-64.8-46.7176.4-170.779.3000111.3Q194 E195 Q196 H200 K201 M202Q194-L198 PolarHBondContact O-N 2.98Å; Q194-L198 VanDerWaalsContact O-N 3.1Å; E195-L198 WeakPolarHBondContact O-CB 3.41Å; E195-L198 PolarHBondContact O-N 2.98Å; E195-L198 VanDerWaalsContact O-N 3.16Å; Q196-L198 VanDerWaalsContact C-N 3.33Å; L198-H200 PolarHBondContact O-N 2.81Å; L198-K201 WeakPolarHBondContact O-CB 3.35Å; L198-K201 PolarHBondContact O-N 2.72Å; L198-M202 WeakPolarHBondContact O-CG 3.39Å; L198-M202 PolarHBondContact O-N 3.2Å
199L86.3Confident83.3Confident33 Ų3384.1 Ų84.117%0.17341%0.408CS..Hα-helixtrans-61.9-42.8177-68.7176.1000111.4Y170 K173 E195 Q196 K201 M202 F203Y170-L199 HydrophobicContact CD2-CD2 4.45Å; Y170-L199 HydrophobicContact CE2-CB 4.46Å; Y170-L199 HydrophobicContact CE2-CD2 4.24Å; Y170-L199 WeakPolarHBondContact CE2-O 3.43Å; K173-L199 HydrophobicContact CB-CD2 4.08Å; E195-L199 WeakPolarHBondContact O-CG 3.29Å; E195-L199 PolarHBondContact O-N 3.05Å; Q196-L199 PolarHBondContact O-N 2.64Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.42Å; L199-M202 PolarHBondContact O-N 3.47Å; L199-F203 PolarHBondContact O-N 3.18Å
200H88.3Confident84.9Confident119 Ų11975.6 Ų75.655%0.55137%0.371SS*.Hα-helixtrans-62.4-39175.5-172.166.4000112.4Q196 L198 F203 L204Q196-H200 WeakPolarHBondContact O-CB 3.27Å; Q196-H200 PolarHBondContact O-N 3.12Å; L198-H200 PolarHBondContact O-N 2.81Å; H200-F203 PolarHBondContact O-N 3.24Å; H200-L204 PolarHBondContact O-N 2.82Å
201K91.3Very high86.4Confident136 Ų13677 Ų7759%0.59137%0.368SS*.Hα-helixtrans-63.4-43.8174.6-173.9-178.6178.6-1770111.7L197 L198 L199 L204 M205L197-K201 WeakPolarHBondContact O-CB 3.48Å; L197-K201 PolarHBondContact O-N 3.07Å; L198-K201 WeakPolarHBondContact O-CB 3.35Å; L198-K201 PolarHBondContact O-N 2.72Å; L199-K201 VanDerWaalsContact C-N 3.32Å; L199-K201 PolarHBondContact O-N 3.42Å; K201-L204 PolarHBondContact O-N 3.49Å; K201-M205 WeakPolarHBondContact O-CG 3.15Å; K201-M205 PolarHBondContact O-N 3.32Å
202M91.3Very high87.7Confident12 Ų1276.6 Ų76.66%0.05936%0.363CS..Hα-helixtrans-64.7-40.3177.2-70-176.874.900111.9E169 Y170 K173 L198 L199 L204 M205 L206E169-M202 HydrophobicContact CB-CE 4.33Å; E169-M202 HydrophobicContact CG-CE 4.21Å; Y170-M202 HydrophobicContact CD2-CB 3.55Å; Y170-M202 HydrophobicContact CD2-CE 4.44Å; Y170-M202 HydrophobicContact CD2-SD 4.44Å; Y170-M202 HydrophobicContact CE2-CB 4.12Å; K173-M202 HydrophobicContact CD-CE 3.88Å; K173-M202 HydrophobicContact CD-SD 3.43Å; K173-M202 WeakPolarHBondContact CD-SD 3.4Å; L198-M202 WeakPolarHBondContact O-CG 3.39Å; L198-M202 PolarHBondContact O-N 3.2Å; L199-M202 PolarHBondContact O-N 3.47Å; M202-L204 PolarHBondContact O-N 3.19Å; M202-M205 WeakPolarHBondContact O-CB 3.11Å; M202-M205 PolarHBondContact O-N 2.85Å; M202-L206 PolarHBondContact O-N 3.14Å
203F91.9Very high89.1Confident50 Ų5073.3 Ų73.322%0.21935%0.348CS..Hα-helixtrans-57.5-47.7172.5171.4-99.1000112Y170 L199 H200 M205 L206 D207 F287 Y289Y170-F203 HydrophobicContact CE2-CB 4.34Å; L199-F203 PolarHBondContact O-N 3.18Å; H200-F203 PolarHBondContact O-N 3.24Å; F203-M205 VanDerWaalsContact C-N 3.28Å; F203-M205 PolarHBondContact O-N 3.36Å; F203-L206 WeakPolarHBondContact O-CB 3.18Å; F203-L206 PolarHBondContact O-N 2.98Å; F203-D207 PolarHBondContact O-N 3.19Å; F203-F287 AromaticContact CD2-CE1 3.88Å; F203-F287 HydrophobicContact CD2-CE1 3.88Å; F203-F287 AromaticContact CD2-CZ 3.67Å; F203-F287 HydrophobicContact CD2-CZ 3.67Å; F203-F287 AromaticContact CE2-CE1 3.96Å; F203-F287 HydrophobicContact CE2-CE1 3.96Å; F203-F287 AromaticContact CE2-CZ 3.8Å; F203-F287 HydrophobicContact CE2-CZ 3.8Å; F203-Y289 AromaticContact CE2-CD1 3.58Å; F203-Y289 HydrophobicContact CE2-CD1 3.58Å; F203-Y289 HydrophobicContact CE2-CD2 4Å; F203-Y289 AromaticContact CE2-CE1 3.91Å; F203-Y289 HydrophobicContact CE2-CE1 3.91Å; F203-Y289 HydrophobicContact CE2-CE2 4.3Å; F203-Y289 AromaticContact CE2-CG 3.62Å; F203-Y289 HydrophobicContact CE2-CG 3.62Å; F203-Y289 HydrophobicContact CZ-CD1 4.15Å; F203-Y289 AromaticContact CZ-CD2 3.7Å; F203-Y289 HydrophobicContact CZ-CD2 3.7Å; F203-Y289 HydrophobicContact CZ-CE1 4.39Å; F203-Y289 AromaticContact CZ-CE2 3.96Å; F203-Y289 HydrophobicContact CZ-CE2 3.96Å; F203-Y289 AromaticContact CZ-CG 3.79Å; F203-Y289 HydrophobicContact CZ-CG 3.79Å
204L92.4Very high90.1Very high84 Ų8466.8 Ų66.844%0.4432%0.32SS..Hα-helixtrans-63.8-35.4178.3-170.868.2000111.9H200 K201 M202 N208H200-L204 PolarHBondContact O-N 2.82Å; K201-L204 PolarHBondContact O-N 3.49Å; M202-L204 PolarHBondContact O-N 3.19Å; L204-N208 WeakPolarHBondContact O-CB 3.18Å; L204-N208 VanDerWaalsContact O-CG 3.27Å; L204-N208 PolarHBondContact O-N 2.9Å; L204-N208 PolarHBondContact O-ND2 2.78Å; L204-N208 VanDerWaalsContact O-ND2 3.16Å
205M93.1Very high91Very high89 Ų8965.2 Ų65.244%0.43831%0.312SS..Hα-helixtrans-64.2-43.5173.4-71.7177.263.100111.8L166 K201 M202 F203 K209L166-M205 HydrophobicContact CD1-CE 4.46Å; L166-M205 HydrophobicContact CD2-CB 4.13Å; K201-M205 WeakPolarHBondContact O-CG 3.15Å; K201-M205 PolarHBondContact O-N 3.32Å; M202-M205 WeakPolarHBondContact O-CB 3.11Å; M202-M205 PolarHBondContact O-N 2.85Å; F203-M205 VanDerWaalsContact C-N 3.28Å; F203-M205 PolarHBondContact O-N 3.36Å; M205-K209 WeakPolarHBondContact O-CB 3.4Å; M205-K209 WeakPolarHBondContact O-CG 3.49Å; M205-K209 PolarHBondContact O-N 2.99Å
206L93.3Very high91.8Very high0 Ų065.1 Ų65.10%031%0.311CS..Hα-helixtrans-60.4-48.1174.7-74.9172.5000111.4L163 L166 Q167 Y170 M202 F203 N208 K209 R210L163-L206 HydrophobicContact CD1-CD2 3.73Å; L166-L206 HydrophobicContact CB-CD2 4.1Å; L166-L206 HydrophobicContact CD2-CD2 3.81Å; L166-L206 HydrophobicContact CD2-CG 4.22Å; L166-L206 HydrophobicContact CG-CD2 3.76Å; L166-L206 HydrophobicContact CG-CG 4.27Å; Q167-L206 HydrophobicContact CB-CD2 3.81Å; Q167-L206 HydrophobicContact CG-CD1 4.49Å; Q167-L206 HydrophobicContact CG-CD2 4.45Å; Y170-L206 HydrophobicContact CD1-CD1 3.73Å; Y170-L206 HydrophobicContact CD2-CD1 4.37Å; Y170-L206 HydrophobicContact CE1-CD1 4.37Å; Y170-L206 HydrophobicContact CG-CD1 3.71Å; M202-L206 PolarHBondContact O-N 3.14Å; F203-L206 WeakPolarHBondContact O-CB 3.18Å; F203-L206 PolarHBondContact O-N 2.98Å; L206-N208 PolarHBondContact O-N 2.78Å; L206-K209 PolarHBondContact O-N 3.13Å; L206-R210 WeakPolarHBondContact O-CG 3.27Å; L206-R210 PolarHBondContact O-N 3.48Å
207D93.2Very high92.5Very high14 Ų1459.3 Ų59.38%0.07528%0.284CS..Hα-helixtrans-61-45.5179.9176.961.4000112.3F203 K209 R210 K211 Y289F203-D207 PolarHBondContact O-N 3.19Å; D207-K209 VanDerWaalsContact C-N 3.34Å; D207-K209 PolarHBondContact O-N 3.33Å; D207-R210 PolarHBondContact O-N 3.22Å; D207-K211 WeakPolarHBondContact O-CG 3.31Å; D207-K211 PolarHBondContact O-N 3.32Å; D207-K211 WeakPolarHBondContact OD1-CE 3.17Å; D207-K211 IonicContact OD1-NZ 2.9Å; D207-K211 VanDerWaalsContact OD2-CE 3.3Å; D207-K211 WeakPolarHBondContact OD2-CE 3.45Å; D207-K211 IonicContact OD2-NZ 3.38Å; D207-K211 PolarHBondContact OD2-NZ 3.3Å; D207-Y289 VanDerWaalsContact CA-OH 3.23Å; D207-Y289 WeakPolarHBondContact CA-OH 3.45Å; D207-Y289 HydrophobicContact CB-CE2 4.4Å; D207-Y289 VanDerWaalsContact CB-OH 3.28Å; D207-Y289 WeakPolarHBondContact CB-OH 3.32Å; D207-Y289 WeakPolarHBondContact OD1-CE2 3.29Å; D207-Y289 PolarHBondContact OD1-OH 3.22Å
208N94.3Very high92.9Very high87 Ų8758.9 Ų58.947%0.46527%0.274SS..Hα-helixtrans-61.9-42.1176.1-74.3-29.6000111.8L204 L206 K211 E212L204-N208 WeakPolarHBondContact O-CB 3.18Å; L204-N208 VanDerWaalsContact O-CG 3.27Å; L204-N208 PolarHBondContact O-N 2.9Å; L204-N208 PolarHBondContact O-ND2 2.78Å; L204-N208 VanDerWaalsContact O-ND2 3.16Å; L206-N208 PolarHBondContact O-N 2.78Å; N208-K211 PolarHBondContact O-N 2.95Å; N208-E212 WeakPolarHBondContact O-CB 3.4Å; N208-E212 PolarHBondContact O-N 2.79Å
209K93.9Very high93.3Very high72 Ų7259.4 Ų59.431%0.31327%0.274SS..Hα-helixtrans-66.7-41.6178.1-77.8-73169.6-158.90112.5L163 M205 L206 D207 K211 E212 I213L163-K209 HydrophobicContact CD1-CB 3.9Å; M205-K209 WeakPolarHBondContact O-CB 3.4Å; M205-K209 WeakPolarHBondContact O-CG 3.49Å; M205-K209 PolarHBondContact O-N 2.99Å; L206-K209 PolarHBondContact O-N 3.13Å; D207-K209 VanDerWaalsContact C-N 3.34Å; D207-K209 PolarHBondContact O-N 3.33Å; K209-K211 PolarHBondContact O-N 3.18Å; K209-E212 IonicContact NZ-OE2 2.78Å; K209-E212 PolarHBondContact NZ-OE2 2.93Å; K209-E212 PolarHBondContact O-N 3.36Å; K209-I213 WeakPolarHBondContact O-CG1 3.44Å; K209-I213 PolarHBondContact O-N 2.93Å
210R95.7Very high93.8Very high0 Ų057.9 Ų57.90%027%0.266CS..Hα-helixtrans-60.9-44.2173.8-70.7-178.2173.4-160.51.6111.5L163 L206 D207 I213 I214 L283 F287 D292 P293 I294L163-R210 HydrophobicContact CD1-CG 3.96Å; L163-R210 HydrophobicContact CD2-CG 3.84Å; L206-R210 WeakPolarHBondContact O-CG 3.27Å; L206-R210 PolarHBondContact O-N 3.48Å; D207-R210 PolarHBondContact O-N 3.22Å; R210-I213 PolarHBondContact O-N 3.34Å; R210-I214 WeakPolarHBondContact O-CB 3.43Å; R210-I214 VanDerWaalsContact O-CG1 3.25Å; R210-I214 WeakPolarHBondContact O-CG1 3.47Å; R210-I214 PolarHBondContact O-N 3.45Å; R210-L283 PolarHBondContact NH2-O 3.26Å; R210-F287 PolarHBondContact NH1-O 3.43Å; R210-F287 VanDerWaalsContact NH1-O 3.1Å; R210-F287 PolarHBondContact NH2-O 2.98Å; R210-D292 IonicContact NH1-OD1 2.55Å; R210-D292 PolarHBondContact NH1-OD1 2.9Å; R210-D292 VanDerWaalsContact NH1-OD1 3.09Å; R210-D292 IonicContact NH1-OD2 3.78Å; R210-D292 PolarHBondContact NH1-OD2 3.31Å; R210-P293 HydrophobicContact CB-CG 3.56Å; R210-I294 HydrophobicContact CB-CG1 4.43Å; R210-I294 HydrophobicContact CG-CD1 3.95Å; R210-I294 HydrophobicContact CG-CG1 4.31Å
211K94.6Very high94.1Very high103 Ų10352.2 Ų52.245%0.44824%0.24SC..Hα-helixtrans-61.7-43.8175.8-74171.1179.8163.20112.4D207 N208 K209 I214 H215 P293D207-K211 WeakPolarHBondContact O-CG 3.31Å; D207-K211 PolarHBondContact O-N 3.32Å; D207-K211 WeakPolarHBondContact OD1-CE 3.17Å; D207-K211 IonicContact OD1-NZ 2.9Å; D207-K211 VanDerWaalsContact OD2-CE 3.3Å; D207-K211 WeakPolarHBondContact OD2-CE 3.45Å; D207-K211 IonicContact OD2-NZ 3.38Å; D207-K211 PolarHBondContact OD2-NZ 3.3Å; N208-K211 PolarHBondContact O-N 2.95Å; K209-K211 PolarHBondContact O-N 3.18Å; K211-I214 PolarHBondContact O-N 3.48Å; K211-H215 WeakPolarHBondContact O-CB 3.33Å; K211-H215 PolarHBondContact O-N 3.31Å; K211-P293 HydrophobicContact CG-CB 4.05Å; K211-P293 HydrophobicContact CG-CG 3.98Å
212E95.2Very high94.3Very high73 Ų7349.3 Ų49.334%0.34123%0.23SC..Hα-helixtrans-60.2-48.4177.9-171.2-178179.100111.4N208 K209 H215 K216N208-E212 WeakPolarHBondContact O-CB 3.4Å; N208-E212 PolarHBondContact O-N 2.79Å; K209-E212 IonicContact NZ-OE2 2.78Å; K209-E212 PolarHBondContact NZ-OE2 2.93Å; K209-E212 PolarHBondContact O-N 3.36Å; E212-H215 WeakPolarHBondContact O-CB 3.47Å; E212-H215 PolarHBondContact O-N 3.48Å; E212-K216 HydrophobicContact CG-CD 4.48Å; E212-K216 WeakPolarHBondContact O-CG 3.18Å; E212-K216 PolarHBondContact O-N 3.11Å; E212-K216 IonicContact OE1-NZ 2.73Å; E212-K216 PolarHBondContact OE1-NZ 3.23Å
213I95.5Very high94.4Very high0 Ų050.6 Ų50.60%024%0.241CC..Hα-helixtrans-63-47179.1-71.6162.1000111.2I156 E159 I160 L163 K209 R210 H215 K216 I217 L280I156-I213 HydrophobicContact CG2-CG2 4.44Å; E159-I213 HydrophobicContact CB-CD1 4.24Å; E159-I213 HydrophobicContact CB-CG1 4.02Å; I160-I213 HydrophobicContact CD1-CG2 4.06Å; I160-I213 HydrophobicContact CG1-CD1 4.07Å; I160-I213 HydrophobicContact CG1-CG2 3.8Å; L163-I213 HydrophobicContact CB-CD1 3.79Å; L163-I213 HydrophobicContact CD2-CD1 3.66Å; L163-I213 HydrophobicContact CG-CD1 4.26Å; K209-I213 WeakPolarHBondContact O-CG1 3.44Å; K209-I213 PolarHBondContact O-N 2.93Å; R210-I213 PolarHBondContact O-N 3.34Å; I213-H215 VanDerWaalsContact C-N 3.27Å; I213-H215 PolarHBondContact O-N 3.29Å; I213-K216 PolarHBondContact O-N 3.35Å; I213-I217 HydrophobicContact CG2-CD1 3.8Å; I213-I217 HydrophobicContact CG2-CG1 4.38Å; I213-I217 WeakPolarHBondContact O-CG1 3.48Å; I213-I217 PolarHBondContact O-N 3.27Å; I213-L280 HydrophobicContact CG2-CD1 4.12Å; I213-L280 HydrophobicContact CG2-CD2 4.31Å
214I95.4Very high94.6Very high11 Ų1148.2 Ų48.26%0.05623%0.23CC..Hα-helixtrans-61.1-38.3178.4-69.9-66.8000111.4R210 K211 R218 L280 P293 N297 L301R210-I214 WeakPolarHBondContact O-CB 3.43Å; R210-I214 VanDerWaalsContact O-CG1 3.25Å; R210-I214 WeakPolarHBondContact O-CG1 3.47Å; R210-I214 PolarHBondContact O-N 3.45Å; K211-I214 PolarHBondContact O-N 3.48Å; I214-R218 PolarHBondContact O-N 3.41Å; I214-R218 VanDerWaalsContact O-N 3.11Å; I214-L280 HydrophobicContact CD1-CD1 4.07Å; I214-P293 HydrophobicContact CG1-CB 4.45Å; I214-N297 HydrophobicContact CD1-CB 4.33Å; I214-N297 HydrophobicContact CG2-CB 3.86Å; I214-L301 HydrophobicContact CD1-CD1 3.77Å; I214-L301 HydrophobicContact CG2-CD1 4.36Å
215H94.6Very high94.7Very high106 Ų10647.8 Ų47.849%0.49123%0.226SC..Hα-helixtrans-63.5-49.2175.3-17957.7000111.5K211 E212 I213 I217 R218 E219K211-H215 WeakPolarHBondContact O-CB 3.33Å; K211-H215 PolarHBondContact O-N 3.31Å; E212-H215 WeakPolarHBondContact O-CB 3.47Å; E212-H215 PolarHBondContact O-N 3.48Å; I213-H215 VanDerWaalsContact C-N 3.27Å; I213-H215 PolarHBondContact O-N 3.29Å; H215-I217 PolarHBondContact O-N 3.34Å; H215-R218 WeakPolarHBondContact O-CB 3.49Å; H215-R218 PolarHBondContact O-N 3.27Å; H215-R218 VanDerWaalsContact O-N 3.11Å; H215-E219 IonicContact CE1-OE1 3.45Å; H215-E219 PolarHBondContact CE1-OE1 2.76Å; H215-E219 IonicContact NE2-OE1 2.81Å; H215-E219 PolarHBondContact NE2-OE1 3.03Å; H215-E219 IonicContact NE2-OE2 3.64Å; H215-E219 PolarHBondContact O-N 2.9Å
216K94.8Very high94.7Very high51 Ų5148.8 Ų48.822%0.22223%0.232CC..Hα-helixtrans-61.3-40.4177.7-72.8176.4-176.7162.30112.9I156 E159 E212 I213 R218 E219 L220I156-K216 HydrophobicContact CD1-CB 3.96Å; I156-K216 HydrophobicContact CG1-CB 3.93Å; E159-K216 IonicContact OE1-NZ 2.84Å; E159-K216 PolarHBondContact OE1-NZ 3.15Å; E159-K216 WeakPolarHBondContact OE2-CD 3.36Å; E159-K216 IonicContact OE2-NZ 3.63Å; E159-K216 PolarHBondContact OE2-NZ 3.47Å; E212-K216 HydrophobicContact CG-CD 4.48Å; E212-K216 WeakPolarHBondContact O-CG 3.18Å; E212-K216 PolarHBondContact O-N 3.11Å; E212-K216 IonicContact OE1-NZ 2.73Å; E212-K216 PolarHBondContact OE1-NZ 3.23Å; I213-K216 PolarHBondContact O-N 3.35Å; K216-R218 VanDerWaalsContact C-N 3.31Å; K216-R218 PolarHBondContact O-N 3.13Å; K216-E219 PolarHBondContact O-N 2.97Å; K216-L220 VanDerWaalsContact O-CB 3.29Å; K216-L220 WeakPolarHBondContact O-CB 3.33Å; K216-L220 PolarHBondContact O-N 2.83Å
217I95.1Very high94.7Very high1 Ų149 Ų491%0.00523%0.234CC..Hα-helixtrans-61.1-42.2174.7-66.9169.2000110.5I156 I213 H215 L220 L221 I273 L277 L280 L301I156-I217 HydrophobicContact CD1-CG1 4.01Å; I156-I217 HydrophobicContact CG2-CD1 4.26Å; I156-I217 HydrophobicContact CG2-CG1 3.83Å; I213-I217 HydrophobicContact CG2-CD1 3.8Å; I213-I217 HydrophobicContact CG2-CG1 4.38Å; I213-I217 WeakPolarHBondContact O-CG1 3.48Å; I213-I217 PolarHBondContact O-N 3.27Å; H215-I217 PolarHBondContact O-N 3.34Å; I217-L220 PolarHBondContact O-N 3.41Å; I217-L221 HydrophobicContact CG2-CD1 4.27Å; I217-L221 WeakPolarHBondContact O-CG 2.92Å; I217-L221 PolarHBondContact O-N 2.98Å; I217-I273 HydrophobicContact CG2-CG2 4.18Å; I217-L277 HydrophobicContact CD1-CD2 4.27Å; I217-L277 HydrophobicContact CG2-CD2 4.44Å; I217-L280 HydrophobicContact CD1-CD1 3.68Å; I217-L301 HydrophobicContact CG2-CD1 4.05Å; I217-L301 HydrophobicContact CG2-CD2 4.23Å
218R95Very high94.7Very high112 Ų11248.4 Ų48.442%0.42323%0.231SC..Hα-helixtrans-64.7-43.2178.5-173.4-177.3-71.1-164.8-2.3111.9I214 H215 K216 L221 N222 N297 L301I214-R218 PolarHBondContact O-N 3.41Å; I214-R218 VanDerWaalsContact O-N 3.11Å; H215-R218 WeakPolarHBondContact O-CB 3.49Å; H215-R218 PolarHBondContact O-N 3.27Å; H215-R218 VanDerWaalsContact O-N 3.11Å; K216-R218 VanDerWaalsContact C-N 3.31Å; K216-R218 PolarHBondContact O-N 3.13Å; R218-L221 PolarHBondContact O-N 2.87Å; R218-N222 VanDerWaalsContact O-CG 3.24Å; R218-N222 PolarHBondContact O-N 2.98Å; R218-N222 PolarHBondContact O-ND2 3.18Å; R218-N222 PolarHBondContact O-OD1 2.68Å; R218-N297 PolarHBondContact NH2-OD1 3.08Å; R218-L301 HydrophobicContact CB-CD2 4.46Å
219E95.1Very high94.7Very high95 Ų9547 Ų4744%0.44422%0.223SC..Hα-helixtrans-63.3-45.6176-69.5-17014600111.7H215 K216 L221 N222 S223H215-E219 IonicContact CE1-OE1 3.45Å; H215-E219 PolarHBondContact CE1-OE1 2.76Å; H215-E219 IonicContact NE2-OE1 2.81Å; H215-E219 PolarHBondContact NE2-OE1 3.03Å; H215-E219 IonicContact NE2-OE2 3.64Å; H215-E219 PolarHBondContact O-N 2.9Å; K216-E219 PolarHBondContact O-N 2.97Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 2.87Å; E219-N222 WeakPolarHBondContact O-CB 3.4Å; E219-N222 PolarHBondContact O-N 3.37Å; E219-S223 PolarHBondContact O-N 3.46Å; E219-S223 PolarHBondContact O-OG 3.41Å
220L95.3Very high94.6Very high0 Ų045.1 Ų45.10%022%0.218CC..Hα-helixtrans-58.3-44.4176.417657.7000111.7V149 Q152 V153 I156 K216 I217 N222 S223 I224 I273V149-L220 HydrophobicContact CB-CD1 4.46Å; V149-L220 HydrophobicContact CG1-CD1 4.1Å; Q152-L220 HydrophobicContact CB-CD1 3.79Å; V153-L220 HydrophobicContact CB-CD2 3.81Å; V153-L220 HydrophobicContact CG2-CD2 4.16Å; I156-L220 HydrophobicContact CD1-CB 4.13Å; I156-L220 HydrophobicContact CD1-CD2 3.59Å; K216-L220 VanDerWaalsContact O-CB 3.29Å; K216-L220 WeakPolarHBondContact O-CB 3.33Å; K216-L220 PolarHBondContact O-N 2.83Å; I217-L220 PolarHBondContact O-N 3.41Å; L220-N222 VanDerWaalsContact C-N 3.29Å; L220-N222 PolarHBondContact O-N 3.02Å; L220-S223 PolarHBondContact O-N 3.34Å; L220-S223 VanDerWaalsContact O-N 3.16Å; L220-I224 HydrophobicContact CD1-CD1 3.94Å; L220-I224 HydrophobicContact CD1-CG1 4.09Å; L220-I224 HydrophobicContact CG-CD1 3.81Å; L220-I224 HydrophobicContact CG-CG1 4.42Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.22Å; L220-I224 PolarHBondContact O-N 2.88Å; L220-I273 HydrophobicContact CD2-CD1 3.59Å; L220-I273 HydrophobicContact CD2-CG1 3.91Å; L220-I273 HydrophobicContact CG-CD1 3.89Å
221L95.4Very high94.5Very high0 Ų045.1 Ų45.10%022%0.218CC..Hα-helixtrans-61.4-35.7175.6-72175.2000112.5I217 R218 E219 E225 L270 I273 L301 R304 L308I217-L221 HydrophobicContact CG2-CD1 4.27Å; I217-L221 WeakPolarHBondContact O-CG 2.92Å; I217-L221 PolarHBondContact O-N 2.98Å; R218-L221 PolarHBondContact O-N 2.87Å; E219-L221 VanDerWaalsContact C-N 3.34Å; E219-L221 PolarHBondContact O-N 2.87Å; L221-E225 WeakPolarHBondContact O-CB 3.25Å; L221-E225 PolarHBondContact O-N 3.16Å; L221-L270 HydrophobicContact CD2-CD2 4.35Å; L221-I273 HydrophobicContact CD2-CD1 4.04Å; L221-I273 HydrophobicContact CD2-CG2 4.45Å; L221-L301 HydrophobicContact CD1-CD2 3.85Å; L221-R304 HydrophobicContact CD1-CB 4.48Å; L221-L308 HydrophobicContact CD2-CD1 4.05Å
222N95.1Very high94.4Very high75 Ų7540.9 Ų40.940%0.40120%0.2SC..Hα-helixtrans-65.2-43.9173.8-60.2-26.4000111.2R218 E219 L220 E225 L226 R304R218-N222 VanDerWaalsContact O-CG 3.24Å; R218-N222 PolarHBondContact O-N 2.98Å; R218-N222 PolarHBondContact O-ND2 3.18Å; R218-N222 PolarHBondContact O-OD1 2.68Å; E219-N222 WeakPolarHBondContact O-CB 3.4Å; E219-N222 PolarHBondContact O-N 3.37Å; L220-N222 VanDerWaalsContact C-N 3.29Å; L220-N222 PolarHBondContact O-N 3.02Å; N222-E225 PolarHBondContact O-N 3.36Å; N222-L226 PolarHBondContact O-N 3.06Å; N222-L226 VanDerWaalsContact O-N 3.08Å; N222-R304 VanDerWaalsContact OD1-CZ 3.23Å; N222-R304 PolarHBondContact OD1-NH1 3.4Å; N222-R304 PolarHBondContact OD1-NH2 3.39Å
223S94.4Very high94.2Very high39 Ų3941.6 Ų41.627%0.27321%0.206SC..Hα-helixtrans-65.9-38.1178-63.90000112.4E219 L220 T227E219-S223 PolarHBondContact O-N 3.46Å; E219-S223 PolarHBondContact O-OG 3.41Å; L220-S223 PolarHBondContact O-N 3.34Å; L220-S223 VanDerWaalsContact O-N 3.16Å; S223-T227 WeakPolarHBondContact O-CB 3.41Å; S223-T227 PolarHBondContact O-N 3.42Å; S223-T227 PolarHBondContact O-OG1 3.38Å
224I94.9Very high94Very high0 Ų045.2 Ų45.20%023%0.225CC..Hα-helixtrans-63.4-49.1174.1-70.9164.8000110.4V149 L220 L226 T227 Q228 V266 T269 L270 I273 L308V149-I224 HydrophobicContact CB-CG1 4.47Å; V149-I224 HydrophobicContact CG1-CD1 4.09Å; V149-I224 HydrophobicContact CG1-CG1 3.47Å; V149-I224 VanDerWaalsContact CG1-CG1 3.47Å; V149-I224 HydrophobicContact CG2-CG1 4.14Å; L220-I224 HydrophobicContact CD1-CD1 3.94Å; L220-I224 HydrophobicContact CD1-CG1 4.09Å; L220-I224 HydrophobicContact CG-CD1 3.81Å; L220-I224 HydrophobicContact CG-CG1 4.42Å; L220-I224 VanDerWaalsContact O-CG1 3.3Å; L220-I224 WeakPolarHBondContact O-CG1 3.22Å; L220-I224 PolarHBondContact O-N 2.88Å; I224-L226 VanDerWaalsContact C-N 3.32Å; I224-L226 PolarHBondContact O-N 3.15Å; I224-T227 PolarHBondContact O-N 3.24Å; I224-Q228 WeakPolarHBondContact O-CB 3.47Å; I224-Q228 PolarHBondContact O-N 2.99Å; I224-V266 HydrophobicContact CG2-CG1 3.98Å; I224-T269 HydrophobicContact CD1-CG2 3.97Å; I224-L270 HydrophobicContact CD1-CD2 4.17Å; I224-L270 HydrophobicContact CG2-CD1 4.26Å; I224-L270 HydrophobicContact CG2-CD2 3.99Å; I224-L270 HydrophobicContact CG2-CG 4.15Å; I224-I273 HydrophobicContact CD1-CD1 3.32Å; I224-L308 HydrophobicContact CG2-CD1 4.33Å
225E94.9Very high93.7Very high76 Ų7645.1 Ų45.136%0.35523%0.225SC..Hα-helixtrans-58.3-44.4-179.9-178171.7-166.500111.7L221 N222 Q228 N229 R304 L308L221-E225 WeakPolarHBondContact O-CB 3.25Å; L221-E225 PolarHBondContact O-N 3.16Å; N222-E225 PolarHBondContact O-N 3.36Å; E225-Q228 PolarHBondContact O-N 2.75Å; E225-N229 WeakPolarHBondContact O-CB 3.49Å; E225-N229 VanDerWaalsContact O-CG 3.27Å; E225-N229 PolarHBondContact O-N 2.83Å; E225-N229 PolarHBondContact O-ND2 2.85Å; E225-N229 VanDerWaalsContact O-ND2 3.17Å; E225-R304 IonicContact OE2-CZ 2.79Å; E225-R304 IonicContact OE2-NE 3.84Å; E225-R304 IonicContact OE2-NH2 3.68Å; E225-R304 PolarHBondContact OE2-NH2 3.04Å; E225-L308 HydrophobicContact CB-CD1 4.36Å; E225-L308 HydrophobicContact CB-CD2 3.86Å; E225-L308 HydrophobicContact CG-CD2 3.94Å
226L93.8Very high93.6Very high109 Ų10940.1 Ų40.157%0.57120%0.202SC*.Hα-helixtrans-61.3-47.6175.5-176.967.4000111.8N222 I224 N229 T230N222-L226 PolarHBondContact O-N 3.06Å; N222-L226 VanDerWaalsContact O-N 3.08Å; I224-L226 VanDerWaalsContact C-N 3.32Å; I224-L226 PolarHBondContact O-N 3.15Å; L226-N229 PolarHBondContact O-N 3.19Å; L226-T230 PolarHBondContact O-N 3.05Å; L226-T230 PolarHBondContact O-OG1 3.33Å
227T93.1Very high93.4Very high6 Ų641.4 Ų41.44%0.03721%0.214CC..Hα-helixtrans-65-41.3-179.6-55.40000111.3L142 K145 V146 S223 I224 N229 T230 L231L142-T227 HydrophobicContact CD1-CG2 3.93Å; K145-T227 HydrophobicContact CB-CG2 4.1Å; V146-T227 HydrophobicContact CG2-CG2 3.82Å; S223-T227 WeakPolarHBondContact O-CB 3.41Å; S223-T227 PolarHBondContact O-N 3.42Å; S223-T227 PolarHBondContact O-OG1 3.38Å; I224-T227 PolarHBondContact O-N 3.24Å; T227-N229 VanDerWaalsContact C-N 3.35Å; T227-T230 PolarHBondContact O-N 3.45Å; T227-L231 WeakPolarHBondContact O-CB 3.17Å; T227-L231 PolarHBondContact O-N 2.75Å
228Q93.7Very high93.1Very high0 Ų044.2 Ų44.20%023%0.227CC..Hα-helixtrans-64.1-38.8177.4175.8170.8-26.700111.6I224 E225 L231 I232 L308 L312I224-Q228 WeakPolarHBondContact O-CB 3.47Å; I224-Q228 PolarHBondContact O-N 2.99Å; E225-Q228 PolarHBondContact O-N 2.75Å; Q228-L231 PolarHBondContact O-N 3.33Å; Q228-I232 HydrophobicContact CG-CD1 3.52Å; Q228-I232 HydrophobicContact CG-CG1 4.24Å; Q228-I232 WeakPolarHBondContact O-CB 3.36Å; Q228-I232 WeakPolarHBondContact O-CG1 3.39Å; Q228-I232 PolarHBondContact O-N 2.98Å; Q228-L308 PolarHBondContact NE2-O 3.28Å; Q228-L308 PolarHBondContact OE1-O 3.22Å; Q228-L312 HydrophobicContact CG-CD1 4.12Å
229N92.9Very high92.9Very high57 Ų5739 Ų3931%0.30521%0.207SC..Hα-helixtrans-63.2-45.1176.1-78.1-32.4000111.9E225 L226 T227 L231 I232 N233E225-N229 WeakPolarHBondContact O-CB 3.49Å; E225-N229 VanDerWaalsContact O-CG 3.27Å; E225-N229 PolarHBondContact O-N 2.83Å; E225-N229 PolarHBondContact O-ND2 2.85Å; E225-N229 VanDerWaalsContact O-ND2 3.17Å; L226-N229 PolarHBondContact O-N 3.19Å; T227-N229 VanDerWaalsContact C-N 3.35Å; N229-L231 VanDerWaalsContact C-N 3.35Å; N229-I232 PolarHBondContact O-N 3.4Å; N229-N233 VanDerWaalsContact O-CB 3.24Å; N229-N233 WeakPolarHBondContact O-CB 3.47Å; N229-N233 PolarHBondContact O-N 3.05Å; N229-N233 PolarHBondContact O-ND2 3.26Å
230T92.7Very high92.6Very high33 Ų3338.6 Ų38.620%0.20220%0.204CC..Hα-helixtrans-61.5-43.6173.7-58.10000111.2L142 L226 T227 I232 D234 E235L142-T230 HydrophobicContact CD1-CG2 4.18Å; L226-T230 PolarHBondContact O-N 3.05Å; L226-T230 PolarHBondContact O-OG1 3.33Å; T227-T230 PolarHBondContact O-N 3.45Å; T230-I232 PolarHBondContact O-N 3.47Å; T230-D234 VanDerWaalsContact O-CB 3.3Å; T230-D234 WeakPolarHBondContact O-CB 3.41Å; T230-D234 PolarHBondContact O-N 3.46Å; T230-D234 VanDerWaalsContact O-N 3.09Å; T230-E235 PolarHBondContact O-N 3.44Å
231L93.1Very high92.3Very high0 Ų043.1 Ų43.10%022%0.221CC..Iπ-helixtrans-63.2-42.5-179.8-178.564.1000113.1L142 T227 Q228 N229 L236 L259 W262 F263 L312L142-L231 HydrophobicContact CD2-CD1 4.22Å; T227-L231 WeakPolarHBondContact O-CB 3.17Å; T227-L231 PolarHBondContact O-N 2.75Å; Q228-L231 PolarHBondContact O-N 3.33Å; N229-L231 VanDerWaalsContact C-N 3.35Å; L231-L236 WeakPolarHBondContact O-CB 3.44Å; L231-L236 PolarHBondContact O-N 2.96Å; L231-L236 VanDerWaalsContact O-N 3.08Å; L231-L259 HydrophobicContact CD1-CD2 4.07Å; L231-W262 HydrophobicContact CD1-CB 3.79Å; L231-W262 HydrophobicContact CD1-CD2 4.36Å; L231-W262 HydrophobicContact CD1-CE3 3.74Å; L231-W262 HydrophobicContact CD1-CG 4.45Å; L231-W262 HydrophobicContact CD2-CB 4.27Å; L231-F263 HydrophobicContact CD1-CD2 3.82Å; L231-F263 HydrophobicContact CD1-CE2 3.62Å; L231-F263 HydrophobicContact CD1-CZ 4.47Å; L231-F263 HydrophobicContact CD2-CD1 4.2Å; L231-F263 HydrophobicContact CD2-CD2 3.64Å; L231-F263 HydrophobicContact CD2-CE1 4.27Å; L231-F263 HydrophobicContact CD2-CE2 3.73Å; L231-F263 HydrophobicContact CD2-CG 3.89Å; L231-F263 HydrophobicContact CD2-CZ 4.04Å; L231-F263 HydrophobicContact CG-CD2 3.82Å; L231-F263 HydrophobicContact CG-CE2 3.43Å; L231-F263 VanDerWaalsContact CG-CE2 3.43Å; L231-F263 HydrophobicContact CG-CZ 3.82Å; L231-L312 HydrophobicContact CD2-CD1 4.15Å
232I92.4Very high92Very high14 Ų1445.8 Ų45.87%0.07223%0.231CC..Iπ-helixtrans-84.2-41.9-175.5-65.2174000112.1Q228 N229 T230 L236 F263 Q311 L312Q228-I232 HydrophobicContact CG-CD1 3.52Å; Q228-I232 HydrophobicContact CG-CG1 4.24Å; Q228-I232 WeakPolarHBondContact O-CB 3.36Å; Q228-I232 WeakPolarHBondContact O-CG1 3.39Å; Q228-I232 PolarHBondContact O-N 2.98Å; N229-I232 PolarHBondContact O-N 3.4Å; T230-I232 PolarHBondContact O-N 3.47Å; I232-L236 WeakPolarHBondContact O-CB 3.27Å; I232-F263 HydrophobicContact CG1-CE1 4.32Å; I232-F263 HydrophobicContact CG1-CZ 4.18Å; I232-Q311 HydrophobicContact CD1-CG 4.16Å; I232-L312 HydrophobicContact CD1-CD1 4.46Å
233N91.2Very high91.8Very high88 Ų8842.8 Ų42.847%0.47122%0.215SC..Iπ-helixtrans-90.5-25.6-171.2-59.9-36.7000113N229 V237N229-N233 VanDerWaalsContact O-CB 3.24Å; N229-N233 WeakPolarHBondContact O-CB 3.47Å; N229-N233 PolarHBondContact O-N 3.05Å; N229-N233 PolarHBondContact O-ND2 3.26Å; N233-V237 WeakPolarHBondContact O-CB 3.38Å; N233-V237 WeakPolarHBondContact O-CG2 3.49Å
234D90.3Very high91.6Very high76 Ų7641.4 Ų41.441%0.40620%0.204SC..Iπ-helixtrans-105.1-71.3-179.4-52.3-28.8000109.8T230 L236 V237 E238T230-D234 VanDerWaalsContact O-CB 3.3Å; T230-D234 WeakPolarHBondContact O-CB 3.41Å; T230-D234 PolarHBondContact O-N 3.46Å; T230-D234 VanDerWaalsContact O-N 3.09Å; D234-L236 PolarHBondContact O-N 3.5Å; D234-V237 PolarHBondContact O-N 3.1Å; D234-E238 WeakPolarHBondContact O-CB 3.17Å; D234-E238 WeakPolarHBondContact O-CG 3.23Å; D234-E238 PolarHBondContact O-N 3.32Å
235E91Very high91.4Very high9 Ų942.7 Ų42.74%0.04221%0.213CC..Iπ-helixtrans-62.9-44.5-170.2-68.9-60.8143.100113.4L142 T230 W239 L259 W262L142-E235 HydrophobicContact CD2-CG 3.57Å; T230-E235 PolarHBondContact O-N 3.44Å; E235-W239 WeakPolarHBondContact O-CB 3.44Å; E235-W239 PolarHBondContact O-N 3.15Å; E235-L259 HydrophobicContact CB-CD2 3.8Å; E235-W262 HydrophobicContact CB-CZ3 4.38Å; E235-W262 HydrophobicContact CG-CZ3 3.98Å
236L91.1Very high91.2Very high2 Ų240.6 Ų40.61%0.0121%0.208CC..Hα-helixtrans-67.9-36.6178.2179.265.3000112.1L231 I232 D234 W239 K240 F263 S315 V318 L348L231-L236 WeakPolarHBondContact O-CB 3.44Å; L231-L236 PolarHBondContact O-N 2.96Å; L231-L236 VanDerWaalsContact O-N 3.08Å; I232-L236 WeakPolarHBondContact O-CB 3.27Å; D234-L236 PolarHBondContact O-N 3.5Å; L236-W239 HydrophobicContact CD1-CE3 4.45Å; L236-K240 HydrophobicContact CG-CD 4.48Å; L236-K240 VanDerWaalsContact O-CG 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.44Å; L236-K240 PolarHBondContact O-N 2.68Å; L236-F263 HydrophobicContact CD2-CZ 4.14Å; L236-S315 WeakPolarHBondContact CD2-O 3.45Å; L236-V318 HydrophobicContact CD1-CG1 4.03Å; L236-L348 HydrophobicContact CD1-CD1 3.98Å
237V90.3Very high91.1Very high78 Ų7836.5 Ų36.547%0.47319%0.189SC..Hα-helixtrans-71-44.5178.4176.70000110.3N233 D234 W239 K240 R241N233-V237 WeakPolarHBondContact O-CB 3.38Å; N233-V237 WeakPolarHBondContact O-CG2 3.49Å; D234-V237 PolarHBondContact O-N 3.1Å; V237-W239 VanDerWaalsContact C-N 3.32Å; V237-W239 PolarHBondContact O-N 2.91Å; V237-K240 PolarHBondContact O-N 3.46Å; V237-R241 PolarHBondContact O-N 3.02Å
238E88.9Confident91Very high59 Ų5936.4 Ų36.428%0.27619%0.188SC..Hα-helixtrans-59.9-42.2173.6-74.9-171.3-172.200111.4K138 D234 R241 R242K138-E238 IonicContact NZ-OE1 3.26Å; K138-E238 PolarHBondContact NZ-OE1 3.15Å; D234-E238 WeakPolarHBondContact O-CB 3.17Å; D234-E238 WeakPolarHBondContact O-CG 3.23Å; D234-E238 PolarHBondContact O-N 3.32Å; E238-R241 WeakPolarHBondContact O-CB 3.19Å; E238-R241 PolarHBondContact O-N 3.45Å; E238-R242 WeakPolarHBondContact O-CB 3.43Å; E238-R242 WeakPolarHBondContact O-CG 3.49Å; E238-R242 PolarHBondContact O-N 3.13Å; E238-R242 PolarHBondContact O-NE 2.94Å; E238-R242 IonicContact OE2-NH2 3.44Å
239W91.3Very high90.7Very high4 Ų437.2 Ų37.22%0.01520%0.197CC..Hα-helixtrans-63.9-41.9175.2177.687.7000112.3E235 L236 V237 R241 R242 Q243 N253 A254 L256 L259 V318E235-W239 WeakPolarHBondContact O-CB 3.44Å; E235-W239 PolarHBondContact O-N 3.15Å; L236-W239 HydrophobicContact CD1-CE3 4.45Å; V237-W239 VanDerWaalsContact C-N 3.32Å; V237-W239 PolarHBondContact O-N 2.91Å; W239-R241 VanDerWaalsContact C-N 3.3Å; W239-R241 PolarHBondContact O-N 3.02Å; W239-R242 PolarHBondContact O-N 3.41Å; W239-Q243 HydrophobicContact CH2-CB 4.46Å; W239-Q243 HydrophobicContact CH2-CG 4.37Å; W239-Q243 HydrophobicContact CZ2-CB 4.48Å; W239-Q243 HydrophobicContact CZ2-CG 4.49Å; W239-Q243 WeakPolarHBondContact O-CB 3.46Å; W239-Q243 PolarHBondContact O-N 2.91Å; W239-N253 VanDerWaalsContact CE2-ND2 3.31Å; W239-N253 PolarHBondContact NE1-ND2 3.33Å; W239-A254 PolarHBondContact NE1-O 2.84Å; W239-L256 HydrophobicContact CD2-CD2 3.64Å; W239-L256 HydrophobicContact CE3-CD2 4.14Å; W239-L256 HydrophobicContact CG-CD2 4.23Å; W239-L256 HydrophobicContact CH2-CD1 4.03Å; W239-L256 HydrophobicContact CH2-CD2 3.85Å; W239-L256 HydrophobicContact CH2-CG 4.22Å; W239-L256 HydrophobicContact CZ2-CD1 3.69Å; W239-L256 HydrophobicContact CZ2-CD2 3.3Å; W239-L256 HydrophobicContact CZ2-CG 3.48Å; W239-L256 VanDerWaalsContact CZ2-CG 3.48Å; W239-L256 HydrophobicContact CZ3-CD2 4.24Å; W239-L259 HydrophobicContact CB-CD1 3.61Å; W239-L259 HydrophobicContact CD2-CD1 4.15Å; W239-L259 HydrophobicContact CG-CD1 3.56Å; W239-V318 HydrophobicContact CZ3-CB 4.44Å; W239-V318 HydrophobicContact CZ3-CG2 4.47Å
240K89.4Confident90.5Very high85 Ų8535.1 Ų35.137%0.3719%0.188SC..Hα-helixtrans-61.2-40.1174.5-75.7172-177.9172.80111.3L236 V237 Q243 Q244L236-K240 HydrophobicContact CG-CD 4.48Å; L236-K240 VanDerWaalsContact O-CG 3.29Å; L236-K240 WeakPolarHBondContact O-CG 3.44Å; L236-K240 PolarHBondContact O-N 2.68Å; V237-K240 PolarHBondContact O-N 3.46Å; K240-Q243 WeakPolarHBondContact O-CB 3.38Å; K240-Q243 PolarHBondContact O-N 3.31Å; K240-Q244 WeakPolarHBondContact O-CG 3.49Å; K240-Q244 PolarHBondContact O-N 3.48Å
241R88.9Confident89.9Confident95 Ų9537.3 Ų37.336%0.35820%0.203SC..Hα-helixtrans-64.2-45.2175.3-171.472177.41691.5111.7V237 E238 W239 Q243 Q244 S245 V484 T485V237-R241 PolarHBondContact O-N 3.02Å; E238-R241 WeakPolarHBondContact O-CB 3.19Å; E238-R241 PolarHBondContact O-N 3.45Å; W239-R241 VanDerWaalsContact C-N 3.3Å; W239-R241 PolarHBondContact O-N 3.02Å; R241-Q243 VanDerWaalsContact C-N 3.34Å; R241-Q243 PolarHBondContact O-N 2.89Å; R241-Q244 WeakPolarHBondContact O-CB 3.42Å; R241-Q244 PolarHBondContact O-N 3.33Å; R241-S245 PolarHBondContact O-N 3.33Å; R241-V484 PolarHBondContact NH1-O 3.36Å; R241-T485 VanDerWaalsContact NH1-CG2 3.3Å
242R88.9Confident89.1Confident56 Ų5643.4 Ų43.421%0.21124%0.243CC..Hα-helixtrans-61.2-43174.4-76-179.5-96.3128.9-11.8111E238 W239 Q244 S245 A246 N253E238-R242 WeakPolarHBondContact O-CB 3.43Å; E238-R242 WeakPolarHBondContact O-CG 3.49Å; E238-R242 PolarHBondContact O-N 3.13Å; E238-R242 PolarHBondContact O-NE 2.94Å; E238-R242 IonicContact OE2-NH2 3.44Å; W239-R242 PolarHBondContact O-N 3.41Å; R242-Q244 PolarHBondContact O-N 2.79Å; R242-S245 WeakPolarHBondContact CA-OG 3.33Å; R242-S245 PolarHBondContact O-N 2.91Å; R242-S245 PolarHBondContact O-OG 2.75Å; R242-A246 WeakPolarHBondContact O-CB 3.26Å; R242-A246 PolarHBondContact O-N 2.9Å; R242-N253 WeakPolarHBondContact CB-OD1 3.33Å
243Q91.3Very high88.3Confident13 Ų1345 Ų456%0.06125%0.252CS..Hα-helixtrans-59.8-43.5174.4-168.3-166.750.600112.1W239 K240 R241 A246 C247 V319 E320W239-Q243 HydrophobicContact CH2-CB 4.46Å; W239-Q243 HydrophobicContact CH2-CG 4.37Å; W239-Q243 HydrophobicContact CZ2-CB 4.48Å; W239-Q243 HydrophobicContact CZ2-CG 4.49Å; W239-Q243 WeakPolarHBondContact O-CB 3.46Å; W239-Q243 PolarHBondContact O-N 2.91Å; K240-Q243 WeakPolarHBondContact O-CB 3.38Å; K240-Q243 PolarHBondContact O-N 3.31Å; R241-Q243 VanDerWaalsContact C-N 3.34Å; R241-Q243 PolarHBondContact O-N 2.89Å; Q243-A246 PolarHBondContact O-N 2.92Å; Q243-C247 WeakPolarHBondContact O-CB 3.43Å; Q243-C247 PolarHBondContact O-N 2.94Å; Q243-C247 PolarHBondContact O-SG 3.26Å; Q243-V319 PolarHBondContact NE2-O 3Å; Q243-E320 PolarHBondContact NE2-O 3.48Å
244Q90.3Very high87.3Confident10 Ų1043 Ų435%0.04725%0.247CC..Hα-helixtrans-57.3-49.9174.5-75.2169.4-16.800111.2K240 R241 R242 C247 I248 L459K240-Q244 WeakPolarHBondContact O-CG 3.49Å; K240-Q244 PolarHBondContact O-N 3.48Å; R241-Q244 WeakPolarHBondContact O-CB 3.42Å; R241-Q244 PolarHBondContact O-N 3.33Å; R242-Q244 PolarHBondContact O-N 2.79Å; Q244-C247 WeakPolarHBondContact O-CB 3.34Å; Q244-C247 PolarHBondContact O-N 2.83Å; Q244-I248 PolarHBondContact O-N 2.73Å; Q244-L459 HydrophobicContact CB-CD1 4.41Å; Q244-L459 HydrophobicContact CG-CD1 3.64Å; Q244-L459 HydrophobicContact CG-CD2 3.61Å; Q244-L459 HydrophobicContact CG-CG 4.27Å; Q244-L459 VanDerWaalsContact NE2-CD2 3.31Å
245S90.6Very high86.6Confident27 Ų2743.5 Ų43.519%0.18926%0.255CS..Hα-helixtrans-63.8-41.5178.867.20000112.7R241 R242 C247 I248 G249 G250R241-S245 PolarHBondContact O-N 3.33Å; R242-S245 WeakPolarHBondContact CA-OG 3.33Å; R242-S245 PolarHBondContact O-N 2.91Å; R242-S245 PolarHBondContact O-OG 2.75Å; S245-C247 VanDerWaalsContact C-N 3.31Å; S245-C247 PolarHBondContact O-N 3.33Å; S245-I248 CarbonylContact O-C 3.53Å; S245-I248 WeakPolarHBondContact O-CG1 3.3Å; S245-I248 PolarHBondContact O-N 3.28Å; S245-I248 VanDerWaalsContact O-N 3.13Å; S245-G249 PolarHBondContact O-N 3.12Å; S245-G250 WeakPolarHBondContact O-CA 3.34Å; S245-G250 PolarHBondContact O-N 3.31Å
246A90.6Very high86.5Confident31 Ų3143.3 Ų43.326%0.25626%0.255SS..Hα-helixtrans-65.3-35.1177.100000111.7R242 Q243 I248 G249 N253R242-A246 WeakPolarHBondContact O-CB 3.26Å; R242-A246 PolarHBondContact O-N 2.9Å; Q243-A246 PolarHBondContact O-N 2.92Å; A246-I248 PolarHBondContact O-N 2.89Å; A246-G249 PolarHBondContact O-N 2.88Å; A246-G249 VanDerWaalsContact O-N 3.1Å; A246-N253 HydrophobicContact CB-CB 3.96Å
247C90.6Very high86.3Confident24 Ų2445.3 Ų45.316%0.16227%0.265CS..Hα-helixtrans-61.7-32.5175.1-72.20000112.1Q243 Q244 S245 G249 P332 W474Q243-C247 WeakPolarHBondContact O-CB 3.43Å; Q243-C247 PolarHBondContact O-N 2.94Å; Q243-C247 PolarHBondContact O-SG 3.26Å; Q244-C247 WeakPolarHBondContact O-CB 3.34Å; Q244-C247 PolarHBondContact O-N 2.83Å; S245-C247 VanDerWaalsContact C-N 3.31Å; S245-C247 PolarHBondContact O-N 3.33Å; C247-G249 VanDerWaalsContact C-N 3.33Å; C247-P332 HydrophobicContact CB-CG 4.15Å; C247-P332 WeakPolarHBondContact O-CG 3.38Å; C247-W474 WeakPolarHBondContact O-CH2 3.25Å
248I91.9Very high86.2Confident3 Ų344.5 Ų44.52%0.01526%0.257CS..THydrogen-bonded Turntrans-91.212.8176.762171.3000113.8Q244 S245 A246 W474 I477 L478 N481 V507 W510 Q511Q244-I248 PolarHBondContact O-N 2.73Å; S245-I248 CarbonylContact O-C 3.53Å; S245-I248 WeakPolarHBondContact O-CG1 3.3Å; S245-I248 PolarHBondContact O-N 3.28Å; S245-I248 VanDerWaalsContact O-N 3.13Å; A246-I248 PolarHBondContact O-N 2.89Å; I248-W474 HydrophobicContact CG2-CH2 4.33Å; I248-I477 HydrophobicContact CG2-CG2 4.33Å; I248-L478 HydrophobicContact CB-CD2 3.7Å; I248-L478 HydrophobicContact CG2-CD2 3.91Å; I248-N481 HydrophobicContact CD1-CB 4.38Å; I248-N481 HydrophobicContact CG2-CB 3.73Å; I248-V507 HydrophobicContact CD1-CG1 4.3Å; I248-V507 HydrophobicContact CD1-CG2 4.08Å; I248-W510 HydrophobicContact CD1-CE3 4.41Å; I248-W510 HydrophobicContact CD1-CZ3 4.15Å; I248-W510 HydrophobicContact CG1-CE3 4.33Å; I248-W510 HydrophobicContact CG1-CZ3 4.33Å; I248-Q511 PolarHBondContact O-NE2 2.87Å
249G87.8Confident86.3Confident18 Ų1842.1 Ų42.119%0.18625%0.245CC..THydrogen-bonded Turntrans95.77.1175.600000115.3S245 A246 C247 W510S245-G249 PolarHBondContact O-N 3.12Å; A246-G249 PolarHBondContact O-N 2.88Å; A246-G249 VanDerWaalsContact O-N 3.1Å; C247-G249 VanDerWaalsContact C-N 3.33Å; G249-W510 WeakPolarHBondContact O-CB 3.45Å
250G87.1Confident86.4Confident13 Ų1342.2 Ų42.213%0.13425%0.246CC..  trans-65.5-175.7172.400000113.7S245S245-G250 WeakPolarHBondContact O-CA 3.34Å; S245-G250 PolarHBondContact O-N 3.31Å
251P80.3Confident86.5Confident79 Ų7941 Ų4151%0.51325%0.248SC..SBendtrans-57.6149.5-174.824.2-33.6000111.8N253P251-N253 PolarHBondContact O-N 3.4Å
252P76.6Confident86.8Confident128 Ų12836.6 Ų36.683%0.83123%0.232SC*.PPolyproline II helixtrans-52.4130.7-179.4-25.533.4000111.6
253N75.9Confident87Confident48 Ų4833.9 Ų33.926%0.25722%0.221SC..PPolyproline II helixtrans-67.4138.1179-170.921.1000110.5W239 R242 A246 P251 C255W239-N253 VanDerWaalsContact CE2-ND2 3.31Å; W239-N253 PolarHBondContact NE1-ND2 3.33Å; R242-N253 WeakPolarHBondContact CB-OD1 3.33Å; A246-N253 HydrophobicContact CB-CB 3.96Å; P251-N253 PolarHBondContact O-N 3.4Å; N253-C255 PolarHBondContact O-N 2.88Å
254A69.4Low87.1Confident46 Ų4634 Ų3438%0.3822%0.223SC..PPolyproline II helixtrans-58.2137.8170.900000110W239W239-A254 PolarHBondContact NE1-O 2.84Å
255C76.9Confident87.3Confident85 Ų8535 Ų3557%0.57423%0.229SC*.PPolyproline II helixtrans-59.9148.9178.370.30000110.8N253 D257N253-C255 PolarHBondContact O-N 2.88Å; C255-D257 PolarHBondContact O-N 3.23Å; C255-D257 VanDerWaalsContact O-N 3.15Å
256L87.4Confident87.5Confident6 Ų633.8 Ų33.83%0.03122%0.22CC..THydrogen-bonded Turntrans-70.1-4.3179.1-81.3173.4000113.4W239 Q258 L259 Q260 V318 E320 L348W239-L256 HydrophobicContact CD2-CD2 3.64Å; W239-L256 HydrophobicContact CE3-CD2 4.14Å; W239-L256 HydrophobicContact CG-CD2 4.23Å; W239-L256 HydrophobicContact CH2-CD1 4.03Å; W239-L256 HydrophobicContact CH2-CD2 3.85Å; W239-L256 HydrophobicContact CH2-CG 4.22Å; W239-L256 HydrophobicContact CZ2-CD1 3.69Å; W239-L256 HydrophobicContact CZ2-CD2 3.3Å; W239-L256 HydrophobicContact CZ2-CG 3.48Å; W239-L256 VanDerWaalsContact CZ2-CG 3.48Å; W239-L256 HydrophobicContact CZ3-CD2 4.24Å; L256-Q258 PolarHBondContact O-N 3.02Å; L256-L259 HydrophobicContact CD2-CD1 3.87Å; L256-L259 PolarHBondContact O-N 3.35Å; L256-Q260 VanDerWaalsContact O-CB 3.25Å; L256-Q260 WeakPolarHBondContact O-CB 3.4Å; L256-Q260 PolarHBondContact O-N 3.12Å; L256-V318 HydrophobicContact CD1-CG2 4.44Å; L256-E320 HydrophobicContact CD1-CB 3.96Å; L256-E320 HydrophobicContact CD1-CG 3.82Å; L256-L348 HydrophobicContact CB-CD2 4.13Å; L256-L348 HydrophobicContact CD1-CD2 4.04Å; L256-L348 HydrophobicContact CD2-CD2 3.66Å; L256-L348 HydrophobicContact CG-CD2 4.17Å
257D87.9Confident87.6Confident44 Ų4432.3 Ų32.324%0.23521%0.207CC..Hα-helixtrans-66.9-37.6-168.5-67.20.6000112.7C255 Q260 S261 R346 N397C255-D257 PolarHBondContact O-N 3.23Å; C255-D257 VanDerWaalsContact O-N 3.15Å; D257-Q260 PolarHBondContact O-N 3.12Å; D257-S261 WeakPolarHBondContact O-CB 3.12Å; D257-S261 PolarHBondContact O-N 3.27Å; D257-R346 IonicContact OD1-CZ 3.07Å; D257-R346 IonicContact OD1-NH1 2.84Å; D257-R346 IonicContact OD1-NH2 3.77Å; D257-R346 PolarHBondContact OD1-NH2 3.17Å; D257-N397 PolarHBondContact OD2-ND2 3.03Å; D257-N397 VanDerWaalsContact OD2-ND2 3.09Å
258Q88.1Confident87.7Confident61 Ų6135.1 Ų35.129%0.28522%0.218SC..Hα-helixtrans-65.7-48.6175.7-172178.725.100111.2L256 Q260 S261 W262L256-Q258 PolarHBondContact O-N 3.02Å; Q258-Q260 VanDerWaalsContact C-N 3.34Å; Q258-Q260 PolarHBondContact O-N 3.37Å; Q258-S261 WeakPolarHBondContact O-CB 3.2Å; Q258-S261 PolarHBondContact O-N 3.3Å; Q258-W262 VanDerWaalsContact CD-CZ2 3.49Å; Q258-W262 HydrophobicContact CG-CD2 4.2Å; Q258-W262 HydrophobicContact CG-CE3 4.28Å; Q258-W262 HydrophobicContact CG-CH2 3.55Å; Q258-W262 HydrophobicContact CG-CZ2 3.45Å; Q258-W262 VanDerWaalsContact CG-CZ2 3.45Å; Q258-W262 HydrophobicContact CG-CZ3 3.96Å; Q258-W262 PolarHBondContact O-N 3.24Å
259L92Very high87.8Confident8 Ų835 Ų354%0.04222%0.218CC..Hα-helixtrans-58.6-46.8173.4-74.7174.2000110.9L231 E235 W239 L256 S261 W262 F263 L348L231-L259 HydrophobicContact CD1-CD2 4.07Å; E235-L259 HydrophobicContact CB-CD2 3.8Å; W239-L259 HydrophobicContact CB-CD1 3.61Å; W239-L259 HydrophobicContact CD2-CD1 4.15Å; W239-L259 HydrophobicContact CG-CD1 3.56Å; L256-L259 HydrophobicContact CD2-CD1 3.87Å; L256-L259 PolarHBondContact O-N 3.35Å; L259-S261 VanDerWaalsContact C-N 3.27Å; L259-S261 PolarHBondContact O-N 3Å; L259-W262 HydrophobicContact CD2-CE3 3.92Å; L259-W262 HydrophobicContact CD2-CZ3 4.04Å; L259-W262 PolarHBondContact O-N 3.07Å; L259-F263 HydrophobicContact CB-CD2 4.46Å; L259-F263 HydrophobicContact CD2-CE2 4.37Å; L259-F263 WeakPolarHBondContact O-CB 3.35Å; L259-F263 VanDerWaalsContact O-CD2 3.26Å; L259-F263 WeakPolarHBondContact O-CD2 3.39Å; L259-F263 PolarHBondContact O-N 3.21Å; L259-L348 HydrophobicContact CB-CD1 4.3Å
260Q92.5Very high88Confident7 Ų734.2 Ų34.23%0.03321%0.209CC..Hα-helixtrans-58-42.3178.9-170-167.61500111.1L256 D257 Q258 T264 L348 K350 G398L256-Q260 VanDerWaalsContact O-CB 3.25Å; L256-Q260 WeakPolarHBondContact O-CB 3.4Å; L256-Q260 PolarHBondContact O-N 3.12Å; D257-Q260 PolarHBondContact O-N 3.12Å; Q258-Q260 VanDerWaalsContact C-N 3.34Å; Q258-Q260 PolarHBondContact O-N 3.37Å; Q260-T264 WeakPolarHBondContact O-CB 3.12Å; Q260-T264 PolarHBondContact O-N 3.46Å; Q260-T264 PolarHBondContact O-OG1 3.08Å; Q260-L348 WeakPolarHBondContact CA-O 3.43Å; Q260-L348 WeakPolarHBondContact CG-O 3.22Å; Q260-K350 HydrophobicContact CG-CB 4.45Å; Q260-G398 PolarHBondContact NE2-O 3.29Å
261S91.8Very high88.2Confident59 Ų5934.9 Ų34.941%0.41321%0.209SC..Hα-helixtrans-59.6-51.4175.3-177.40000111.3D257 Q258 L259 T264 I265D257-S261 WeakPolarHBondContact O-CB 3.12Å; D257-S261 PolarHBondContact O-N 3.27Å; Q258-S261 WeakPolarHBondContact O-CB 3.2Å; Q258-S261 PolarHBondContact O-N 3.3Å; L259-S261 VanDerWaalsContact C-N 3.27Å; L259-S261 PolarHBondContact O-N 3Å; S261-T264 PolarHBondContact O-N 3.48Å; S261-I265 VanDerWaalsContact O-CG1 3.27Å; S261-I265 WeakPolarHBondContact O-CG1 3.35Å; S261-I265 PolarHBondContact O-N 3.21Å
262W94.2Very high88.7Confident2 Ų232.9 Ų32.91%0.00819%0.193CC..Hα-helixtrans-61.4-49.2178.7-63.6-31.5000113Q139 L142 D143 V146 L231 E235 Q258 L259 T264 I265 V266Q139-W262 HydrophobicContact CB-CH2 4.34Å; Q139-W262 HydrophobicContact CB-CZ2 4.49Å; Q139-W262 HydrophobicContact CG-CH2 4.13Å; L142-W262 HydrophobicContact CB-CZ2 4.4Å; L142-W262 HydrophobicContact CD2-CD2 3.95Å; L142-W262 HydrophobicContact CD2-CE3 3.65Å; L142-W262 HydrophobicContact CD2-CH2 3.99Å; L142-W262 HydrophobicContact CD2-CZ2 4.24Å; L142-W262 HydrophobicContact CD2-CZ3 3.7Å; L142-W262 HydrophobicContact CG-CD2 4.36Å; L142-W262 HydrophobicContact CG-CZ2 4.49Å; D143-W262 PolarHBondContact OD1-NE1 3.44Å; V146-W262 HydrophobicContact CG2-CB 4.26Å; V146-W262 HydrophobicContact CG2-CG 4.2Å; L231-W262 HydrophobicContact CD1-CB 3.79Å; L231-W262 HydrophobicContact CD1-CD2 4.36Å; L231-W262 HydrophobicContact CD1-CE3 3.74Å; L231-W262 HydrophobicContact CD1-CG 4.45Å; L231-W262 HydrophobicContact CD2-CB 4.27Å; E235-W262 HydrophobicContact CB-CZ3 4.38Å; E235-W262 HydrophobicContact CG-CZ3 3.98Å; Q258-W262 VanDerWaalsContact CD-CZ2 3.49Å; Q258-W262 HydrophobicContact CG-CD2 4.2Å; Q258-W262 HydrophobicContact CG-CE3 4.28Å; Q258-W262 HydrophobicContact CG-CH2 3.55Å; Q258-W262 HydrophobicContact CG-CZ2 3.45Å; Q258-W262 VanDerWaalsContact CG-CZ2 3.45Å; Q258-W262 HydrophobicContact CG-CZ3 3.96Å; Q258-W262 PolarHBondContact O-N 3.24Å; L259-W262 HydrophobicContact CD2-CE3 3.92Å; L259-W262 HydrophobicContact CD2-CZ3 4.04Å; L259-W262 PolarHBondContact O-N 3.07Å; W262-T264 VanDerWaalsContact C-N 3.29Å; W262-T264 PolarHBondContact O-N 3.22Å; W262-I265 PolarHBondContact O-N 2.94Å; W262-V266 WeakPolarHBondContact O-CG2 3.45Å; W262-V266 PolarHBondContact O-N 2.98Å
263F94.4Very high89.6Confident0 Ų026.9 Ų26.90%015%0.153CC..Hα-helixtrans-59-41.7177.6-89.5-93.4000111.4L231 I232 L236 L259 A267 L312 L348 V349L231-F263 HydrophobicContact CD1-CD2 3.82Å; L231-F263 HydrophobicContact CD1-CE2 3.62Å; L231-F263 HydrophobicContact CD1-CZ 4.47Å; L231-F263 HydrophobicContact CD2-CD1 4.2Å; L231-F263 HydrophobicContact CD2-CD2 3.64Å; L231-F263 HydrophobicContact CD2-CE1 4.27Å; L231-F263 HydrophobicContact CD2-CE2 3.73Å; L231-F263 HydrophobicContact CD2-CG 3.89Å; L231-F263 HydrophobicContact CD2-CZ 4.04Å; L231-F263 HydrophobicContact CG-CD2 3.82Å; L231-F263 HydrophobicContact CG-CE2 3.43Å; L231-F263 VanDerWaalsContact CG-CE2 3.43Å; L231-F263 HydrophobicContact CG-CZ 3.82Å; I232-F263 HydrophobicContact CG1-CE1 4.32Å; I232-F263 HydrophobicContact CG1-CZ 4.18Å; L236-F263 HydrophobicContact CD2-CZ 4.14Å; L259-F263 HydrophobicContact CB-CD2 4.46Å; L259-F263 HydrophobicContact CD2-CE2 4.37Å; L259-F263 WeakPolarHBondContact O-CB 3.35Å; L259-F263 VanDerWaalsContact O-CD2 3.26Å; L259-F263 WeakPolarHBondContact O-CD2 3.39Å; L259-F263 PolarHBondContact O-N 3.21Å; F263-A267 WeakPolarHBondContact O-CB 3.26Å; F263-A267 PolarHBondContact O-N 3.37Å; F263-L312 HydrophobicContact CD1-CD1 3.55Å; F263-L312 HydrophobicContact CD1-CG 4.05Å; F263-L312 HydrophobicContact CE1-CD1 3.69Å; F263-L312 HydrophobicContact CE1-CG 4.42Å; F263-L312 HydrophobicContact CG-CD1 4.46Å; F263-L348 HydrophobicContact CB-CB 3.89Å; F263-L348 HydrophobicContact CD1-CB 4.34Å; F263-L348 HydrophobicContact CD2-CB 4.08Å; F263-L348 HydrophobicContact CD2-CD1 3.89Å; F263-L348 HydrophobicContact CE2-CD1 3.85Å; F263-L348 HydrophobicContact CG-CB 3.85Å; F263-L348 HydrophobicContact CG-CD1 4.38Å; F263-L348 HydrophobicContact CZ-CD1 4.31Å; F263-V349 HydrophobicContact CB-CG2 4.16Å; F263-V349 HydrophobicContact CD1-CG2 4.37Å
264T93.4Very high90.3Very high14 Ų1426.3 Ų26.39%0.08615%0.148CC..Hα-helixtrans-67.9-45.8179.9-58.80000111.4Q260 S261 W262 V266 A267 E268 L348 K350Q260-T264 WeakPolarHBondContact O-CB 3.12Å; Q260-T264 PolarHBondContact O-N 3.46Å; Q260-T264 PolarHBondContact O-OG1 3.08Å; S261-T264 PolarHBondContact O-N 3.48Å; W262-T264 VanDerWaalsContact C-N 3.29Å; W262-T264 PolarHBondContact O-N 3.22Å; T264-V266 PolarHBondContact O-N 3.11Å; T264-A267 PolarHBondContact O-N 3.33Å; T264-E268 HydrophobicContact CG2-CG 4.3Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.32Å; T264-E268 WeakPolarHBondContact O-CB 3.28Å; T264-E268 VanDerWaalsContact O-CG 3.31Å; T264-E268 WeakPolarHBondContact O-CG 3.2Å; T264-E268 PolarHBondContact O-N 2.93Å; T264-L348 PolarHBondContact OG1-O 3.37Å; T264-K350 HydrophobicContact CG2-CB 4.21Å; T264-K350 WeakPolarHBondContact CG2-O 3.49Å; T264-K350 PolarHBondContact OG1-N 2.9Å
265I93.9Very high91.3Very high33 Ų3329.3 Ų29.317%0.16915%0.154CC..Hα-helixtrans-62.1-44.8179.1-66.7163.5000111.3V146 K150 S261 W262 A267 E268 T269V146-I265 HydrophobicContact CG1-CB 3.71Å; V146-I265 HydrophobicContact CG1-CD1 3.9Å; V146-I265 HydrophobicContact CG1-CG1 4.43Å; V146-I265 HydrophobicContact CG1-CG2 3.5Å; V146-I265 VanDerWaalsContact CG1-CG2 3.5Å; K150-I265 HydrophobicContact CB-CG2 4.01Å; K150-I265 HydrophobicContact CD-CG2 4.13Å; K150-I265 HydrophobicContact CG-CG2 4.43Å; S261-I265 VanDerWaalsContact O-CG1 3.27Å; S261-I265 WeakPolarHBondContact O-CG1 3.35Å; S261-I265 PolarHBondContact O-N 3.21Å; W262-I265 PolarHBondContact O-N 2.94Å; I265-A267 VanDerWaalsContact C-N 3.33Å; I265-A267 PolarHBondContact O-N 3.14Å; I265-E268 PolarHBondContact O-N 3.48Å; I265-T269 WeakPolarHBondContact O-CB 3.5Å; I265-T269 PolarHBondContact O-N 2.95Å; I265-T269 PolarHBondContact O-OG1 3.13Å
266V94.8Very high92.1Very high0 Ų026 Ų260%013%0.13CC..Hα-helixtrans-66-38.9178.3179.60000110.6V146 I224 W262 T264 T269 L270 L312V146-V266 HydrophobicContact CG1-CG2 4.43Å; V146-V266 HydrophobicContact CG2-CG2 4.26Å; I224-V266 HydrophobicContact CG2-CG1 3.98Å; W262-V266 WeakPolarHBondContact O-CG2 3.45Å; W262-V266 PolarHBondContact O-N 2.98Å; T264-V266 PolarHBondContact O-N 3.11Å; V266-T269 PolarHBondContact O-N 3.39Å; V266-L270 HydrophobicContact CG1-CD1 4.25Å; V266-L270 WeakPolarHBondContact O-CG 3.38Å; V266-L270 PolarHBondContact O-N 2.96Å; V266-L312 HydrophobicContact CB-CD2 4.05Å; V266-L312 HydrophobicContact CG1-CD1 4.47Å; V266-L312 HydrophobicContact CG1-CD2 3.8Å
267A92.2Very high92.3Very high0 Ų026.5 Ų26.50%013%0.133CC..Hα-helixtrans-65.3-44176.300000112.7F263 T264 I265 T269 L270 Q271 F309 L312 V349F263-A267 WeakPolarHBondContact O-CB 3.26Å; F263-A267 PolarHBondContact O-N 3.37Å; T264-A267 PolarHBondContact O-N 3.33Å; I265-A267 VanDerWaalsContact C-N 3.33Å; I265-A267 PolarHBondContact O-N 3.14Å; A267-T269 VanDerWaalsContact C-N 3.32Å; A267-T269 PolarHBondContact O-N 3.43Å; A267-L270 PolarHBondContact O-N 3.28Å; A267-Q271 WeakPolarHBondContact O-CG 3.46Å; A267-Q271 PolarHBondContact O-N 2.48Å; A267-F309 HydrophobicContact CB-CE2 4.23Å; A267-L312 HydrophobicContact CB-CD2 3.83Å; A267-V349 HydrophobicContact CB-CB 4.33Å; A267-V349 HydrophobicContact CB-CG1 3.54Å; A267-V349 HydrophobicContact CB-CG2 3.83Å
268E92.7Very high92.5Very high83 Ų8328 Ų2839%0.38814%0.137SC..Hα-helixtrans-59.1-44.6173.7-74.4174.6179.500110.8T264 I265 L270 Q271 Q272 L351T264-E268 HydrophobicContact CG2-CG 4.3Å; T264-E268 WeakPolarHBondContact CG2-OE1 3.32Å; T264-E268 WeakPolarHBondContact O-CB 3.28Å; T264-E268 VanDerWaalsContact O-CG 3.31Å; T264-E268 WeakPolarHBondContact O-CG 3.2Å; T264-E268 PolarHBondContact O-N 2.93Å; I265-E268 PolarHBondContact O-N 3.48Å; E268-L270 PolarHBondContact O-N 3.48Å; E268-Q271 PolarHBondContact O-N 3.03Å; E268-Q272 WeakPolarHBondContact O-CB 3.21Å; E268-Q272 PolarHBondContact O-N 3.08Å; E268-L351 HydrophobicContact CG-CD2 3.61Å
269T94.3Very high92.7Very high2 Ų227.6 Ų27.61%0.01213%0.134CC..Hα-helixtrans-60.6-45.4177.7-54.30000111.2V149 V153 I224 I265 V266 A267 Q271 Q272 I273V149-T269 HydrophobicContact CG1-CG2 3.45Å; V149-T269 VanDerWaalsContact CG1-CG2 3.45Å; V153-T269 HydrophobicContact CB-CG2 3.65Å; V153-T269 HydrophobicContact CG1-CG2 3.55Å; V153-T269 HydrophobicContact CG2-CG2 4.13Å; I224-T269 HydrophobicContact CD1-CG2 3.97Å; I265-T269 WeakPolarHBondContact O-CB 3.5Å; I265-T269 PolarHBondContact O-N 2.95Å; I265-T269 PolarHBondContact O-OG1 3.13Å; V266-T269 PolarHBondContact O-N 3.39Å; A267-T269 VanDerWaalsContact C-N 3.32Å; A267-T269 PolarHBondContact O-N 3.43Å; T269-Q271 PolarHBondContact O-N 3.5Å; T269-Q272 PolarHBondContact O-N 2.88Å; T269-I273 HydrophobicContact CG2-CD1 4.36Å; T269-I273 WeakPolarHBondContact O-CG1 3.31Å; T269-I273 PolarHBondContact O-N 3.21Å
270L93.1Very high92.8Very high1 Ų127.3 Ų27.31%0.00513%0.133CC..Hα-helixtrans-64.2-39.2176.8-77.6166.7000112.6L221 I224 V266 A267 E268 Q272 I273 R274 T305 L308 F309 L312L221-L270 HydrophobicContact CD2-CD2 4.35Å; I224-L270 HydrophobicContact CD1-CD2 4.17Å; I224-L270 HydrophobicContact CG2-CD1 4.26Å; I224-L270 HydrophobicContact CG2-CD2 3.99Å; I224-L270 HydrophobicContact CG2-CG 4.15Å; V266-L270 HydrophobicContact CG1-CD1 4.25Å; V266-L270 WeakPolarHBondContact O-CG 3.38Å; V266-L270 PolarHBondContact O-N 2.96Å; A267-L270 PolarHBondContact O-N 3.28Å; E268-L270 PolarHBondContact O-N 3.48Å; L270-Q272 VanDerWaalsContact C-N 3.35Å; L270-I273 PolarHBondContact O-N 3.47Å; L270-R274 WeakPolarHBondContact O-CB 3.24Å; L270-R274 PolarHBondContact O-N 3.32Å; L270-T305 HydrophobicContact CD2-CG2 4.11Å; L270-L308 HydrophobicContact CD1-CB 4.21Å; L270-L308 HydrophobicContact CD2-CB 3.98Å; L270-L308 HydrophobicContact CD2-CD1 4.4Å; L270-F309 HydrophobicContact CB-CB 4.39Å; L270-F309 HydrophobicContact CB-CD2 4.13Å; L270-F309 HydrophobicContact CD1-CB 4.19Å; L270-F309 HydrophobicContact CD1-CD2 4.46Å; L270-L312 HydrophobicContact CD1-CD2 3.98Å
271Q90.1Very high92.7Very high27 Ų2729.4 Ų29.413%0.12614%0.143CC..Hα-helixtrans-66.4-37.8174.3-73.4-62.1-31.400111.9A267 E268 T269 R274 Q275 F309 L351A267-Q271 WeakPolarHBondContact O-CG 3.46Å; A267-Q271 PolarHBondContact O-N 2.48Å; E268-Q271 PolarHBondContact O-N 3.03Å; T269-Q271 PolarHBondContact O-N 3.5Å; Q271-R274 WeakPolarHBondContact O-CB 3.37Å; Q271-R274 PolarHBondContact O-N 2.93Å; Q271-Q275 WeakPolarHBondContact O-CG 3.3Å; Q271-Q275 PolarHBondContact O-N 3.11Å; Q271-F309 HydrophobicContact CG-CD2 4.39Å; Q271-F309 HydrophobicContact CG-CE2 3.87Å; Q271-F309 HydrophobicContact CG-CZ 4.35Å; Q271-F309 VanDerWaalsContact NE2-CE1 3.3Å; Q271-L351 HydrophobicContact CG-CD1 4.33Å
272Q92.3Very high92.8Very high36 Ų3631 Ų3117%0.16814%0.143CC..Hα-helixtrans-66.5-42.7175.4-168.7178.1-2.200111.2V153 E157 E268 T269 L270 R274 Q275 Q276V153-Q272 HydrophobicContact CG2-CB 3.92Å; V153-Q272 HydrophobicContact CG2-CG 3.78Å; E157-Q272 PolarHBondContact OE2-NE2 3.2Å; E268-Q272 WeakPolarHBondContact O-CB 3.21Å; E268-Q272 PolarHBondContact O-N 3.08Å; T269-Q272 PolarHBondContact O-N 2.88Å; L270-Q272 VanDerWaalsContact C-N 3.35Å; Q272-R274 VanDerWaalsContact C-N 3.29Å; Q272-R274 PolarHBondContact O-N 3.25Å; Q272-Q275 WeakPolarHBondContact O-CB 3.26Å; Q272-Q275 PolarHBondContact O-N 3.5Å; Q272-Q275 VanDerWaalsContact O-N 3.11Å; Q272-Q276 VanDerWaalsContact O-CG 3.27Å; Q272-Q276 WeakPolarHBondContact O-CG 3.41Å; Q272-Q276 PolarHBondContact O-N 2.96Å
273I93.7Very high92.8Very high2 Ų230.9 Ų30.91%0.0114%0.143CC..Hα-helixtrans-58.5-43.2172.2-66.6167.3000110.7V153 I217 L220 L221 I224 T269 L270 Q275 Q276 L277 T305V153-I273 HydrophobicContact CG2-CG1 3.81Å; I217-I273 HydrophobicContact CG2-CG2 4.18Å; L220-I273 HydrophobicContact CD2-CD1 3.59Å; L220-I273 HydrophobicContact CD2-CG1 3.91Å; L220-I273 HydrophobicContact CG-CD1 3.89Å; L221-I273 HydrophobicContact CD2-CD1 4.04Å; L221-I273 HydrophobicContact CD2-CG2 4.45Å; I224-I273 HydrophobicContact CD1-CD1 3.32Å; T269-I273 HydrophobicContact CG2-CD1 4.36Å; T269-I273 WeakPolarHBondContact O-CG1 3.31Å; T269-I273 PolarHBondContact O-N 3.21Å; L270-I273 PolarHBondContact O-N 3.47Å; I273-Q275 VanDerWaalsContact C-N 3.29Å; I273-Q275 PolarHBondContact O-N 3.47Å; I273-Q276 WeakPolarHBondContact O-CB 3.11Å; I273-Q276 PolarHBondContact O-N 3.34Å; I273-Q276 VanDerWaalsContact O-N 3.13Å; I273-L277 HydrophobicContact CG2-CD1 4.21Å; I273-L277 HydrophobicContact CG2-CG 4.32Å; I273-L277 WeakPolarHBondContact O-CG 3.48Å; I273-L277 PolarHBondContact O-N 3.43Å; I273-T305 HydrophobicContact CB-CG2 4.27Å; I273-T305 HydrophobicContact CG2-CG2 4.02Å
274R90.7Very high92.7Very high36 Ų3632.2 Ų32.214%0.13615%0.149CC..Hα-helixtrans-57.8-42.2175.4177.9-173.7-179.167.425.2111.8L270 Q271 Q272 L277 K278 T305 G443 L444L270-R274 WeakPolarHBondContact O-CB 3.24Å; L270-R274 PolarHBondContact O-N 3.32Å; Q271-R274 WeakPolarHBondContact O-CB 3.37Å; Q271-R274 PolarHBondContact O-N 2.93Å; Q272-R274 VanDerWaalsContact C-N 3.29Å; Q272-R274 PolarHBondContact O-N 3.25Å; R274-L277 PolarHBondContact O-N 3.16Å; R274-K278 PolarHBondContact O-N 3.02Å; R274-T305 HydrophobicContact CB-CG2 4.37Å; R274-G443 PolarHBondContact NH2-O 3.08Å; R274-L444 VanDerWaalsContact CZ-CD1 3.44Å; R274-L444 VanDerWaalsContact NH1-CD1 3.28Å; R274-L444 VanDerWaalsContact NH2-CA 3.32Å
275Q91.2Very high92.7Very high110 Ų11039.5 Ų39.551%0.51418%0.182SC..Hα-helixtrans-65.7-42174.5-68.5173.90.400111.7Q271 Q272 I273 L277 K278 K279Q271-Q275 WeakPolarHBondContact O-CG 3.3Å; Q271-Q275 PolarHBondContact O-N 3.11Å; Q272-Q275 WeakPolarHBondContact O-CB 3.26Å; Q272-Q275 PolarHBondContact O-N 3.5Å; Q272-Q275 VanDerWaalsContact O-N 3.11Å; I273-Q275 VanDerWaalsContact C-N 3.29Å; I273-Q275 PolarHBondContact O-N 3.47Å; Q275-L277 VanDerWaalsContact C-N 3.33Å; Q275-L277 PolarHBondContact O-N 3.33Å; Q275-K278 PolarHBondContact O-N 2.64Å; Q275-K279 PolarHBondContact O-N 3.34Å
276Q92.8Very high92.6Very high16 Ų1643.1 Ų43.18%0.07520%0.197CC..Hα-helixtrans-60.5-41.1175.9-66.1-31.1-56.400112.2I160 Q272 I273 K279 L280I160-Q276 HydrophobicContact CD1-CB 3.51Å; I160-Q276 HydrophobicContact CD1-CG 3.84Å; Q272-Q276 VanDerWaalsContact O-CG 3.27Å; Q272-Q276 WeakPolarHBondContact O-CG 3.41Å; Q272-Q276 PolarHBondContact O-N 2.96Å; I273-Q276 WeakPolarHBondContact O-CB 3.11Å; I273-Q276 PolarHBondContact O-N 3.34Å; I273-Q276 VanDerWaalsContact O-N 3.13Å; Q276-K279 WeakPolarHBondContact O-CB 3.35Å; Q276-K279 PolarHBondContact O-N 3.08Å; Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 3.29Å
277L92.8Very high92.4Very high15 Ų1545.5 Ų45.58%0.07921%0.207CC..Hα-helixtrans-64.1-43.5175.9-69.7175.7000111.8I217 I273 R274 Q275 K279 L280 E281 L301I217-L277 HydrophobicContact CD1-CD2 4.27Å; I217-L277 HydrophobicContact CG2-CD2 4.44Å; I273-L277 HydrophobicContact CG2-CD1 4.21Å; I273-L277 HydrophobicContact CG2-CG 4.32Å; I273-L277 WeakPolarHBondContact O-CG 3.48Å; I273-L277 PolarHBondContact O-N 3.43Å; R274-L277 PolarHBondContact O-N 3.16Å; Q275-L277 VanDerWaalsContact C-N 3.33Å; Q275-L277 PolarHBondContact O-N 3.33Å; L277-K279 VanDerWaalsContact C-N 3.25Å; L277-K279 PolarHBondContact O-N 3.42Å; L277-L280 HydrophobicContact CD2-CD1 4.45Å; L277-L280 PolarHBondContact O-N 2.72Å; L277-E281 WeakPolarHBondContact O-CG 3.19Å; L277-E281 PolarHBondContact O-N 3.47Å; L277-L301 HydrophobicContact CD1-CB 4Å; L277-L301 HydrophobicContact CD2-CB 3.78Å; L277-L301 HydrophobicContact CD2-CD1 3.97Å
278K91.1Very high92.3Very high77 Ų7749.1 Ų49.134%0.33523%0.23SC..Hα-helixtrans-58.7-40.1172.6-72.5-177.4176.7-173.80111.5R274 Q275 L280 E281 E282 G443R274-K278 PolarHBondContact O-N 3.02Å; Q275-K278 PolarHBondContact O-N 2.64Å; K278-L280 PolarHBondContact O-N 2.53Å; K278-E281 WeakPolarHBondContact O-CB 3.12Å; K278-E281 PolarHBondContact O-N 3.18Å; K278-E282 PolarHBondContact O-N 3.47Å; K278-G443 PolarHBondContact NZ-O 3.26Å; K278-G443 VanDerWaalsContact NZ-O 3.08Å
279K93Very high92.2Very high51 Ų5147 Ų4722%0.22222%0.218CC..Hα-helixtrans-65.6-39178.2-16960.1-178.3174.50112.5I160 E164 Q275 Q276 L277 E281 E282 L283I160-K279 HydrophobicContact CG2-CB 4.28Å; I160-K279 HydrophobicContact CG2-CG 3.79Å; E164-K279 WeakPolarHBondContact OE1-CE 3.22Å; E164-K279 IonicContact OE1-NZ 4Å; E164-K279 PolarHBondContact OE1-NZ 3.16Å; E164-K279 WeakPolarHBondContact OE2-CE 3.33Å; E164-K279 IonicContact OE2-NZ 3.62Å; E164-K279 PolarHBondContact OE2-NZ 3.26Å; Q275-K279 PolarHBondContact O-N 3.34Å; Q276-K279 WeakPolarHBondContact O-CB 3.35Å; Q276-K279 PolarHBondContact O-N 3.08Å; L277-K279 VanDerWaalsContact C-N 3.25Å; L277-K279 PolarHBondContact O-N 3.42Å; K279-E281 VanDerWaalsContact C-N 3.32Å; K279-E281 PolarHBondContact O-N 3.22Å; K279-E282 VanDerWaalsContact CD-OE2 3.26Å; K279-E282 WeakPolarHBondContact CD-OE2 3.5Å; K279-E282 IonicContact NZ-OE2 2.7Å; K279-E282 PolarHBondContact NZ-OE2 3.31Å; K279-E282 WeakPolarHBondContact O-CB 3.34Å; K279-E282 PolarHBondContact O-N 3.5Å; K279-L283 WeakPolarHBondContact O-CG 3.36Å; K279-L283 PolarHBondContact O-N 2.98Å
280L93.4Very high92Very high3 Ų354.9 Ų54.92%0.01626%0.255CS..Hα-helixtrans-63.6-37172.9-70173.8000112.1I160 L163 I213 I214 I217 Q276 L277 K278 L283 E284 I294I160-L280 HydrophobicContact CD1-CD1 4.38Å; I160-L280 HydrophobicContact CD1-CD2 4.41Å; I160-L280 HydrophobicContact CD1-CG 4.22Å; I160-L280 HydrophobicContact CG1-CD2 4.28Å; L163-L280 HydrophobicContact CD2-CD2 3.96Å; I213-L280 HydrophobicContact CG2-CD1 4.12Å; I213-L280 HydrophobicContact CG2-CD2 4.31Å; I214-L280 HydrophobicContact CD1-CD1 4.07Å; I217-L280 HydrophobicContact CD1-CD1 3.68Å; Q276-L280 WeakPolarHBondContact O-CG 3.47Å; Q276-L280 PolarHBondContact O-N 3.29Å; L277-L280 HydrophobicContact CD2-CD1 4.45Å; L277-L280 PolarHBondContact O-N 2.72Å; K278-L280 PolarHBondContact O-N 2.53Å; L280-L283 HydrophobicContact CD2-CD1 4.47Å; L280-L283 PolarHBondContact O-N 2.95Å; L280-E284 WeakPolarHBondContact O-CB 3.22Å; L280-E284 PolarHBondContact O-N 2.84Å; L280-I294 HydrophobicContact CB-CD1 4.29Å; L280-I294 HydrophobicContact CB-CG2 4.1Å; L280-I294 HydrophobicContact CD2-CD1 4.02Å
281E91.7Very high91.5Very high51 Ų5158.1 Ų58.124%0.23828%0.276CS..Hα-helixtrans-64.6-37.9173.3-67-176.6158.100112.3L277 K278 K279 L283 E284 Q285 K298L277-E281 WeakPolarHBondContact O-CG 3.19Å; L277-E281 PolarHBondContact O-N 3.47Å; K278-E281 WeakPolarHBondContact O-CB 3.12Å; K278-E281 PolarHBondContact O-N 3.18Å; K279-E281 VanDerWaalsContact C-N 3.32Å; K279-E281 PolarHBondContact O-N 3.22Å; E281-L283 VanDerWaalsContact C-N 3.33Å; E281-E284 WeakPolarHBondContact O-CB 3.14Å; E281-E284 PolarHBondContact O-N 3.48Å; E281-Q285 WeakPolarHBondContact O-CG 3.29Å; E281-Q285 PolarHBondContact O-N 3.46Å; E281-K298 HydrophobicContact CG-CD 4.21Å; E281-K298 WeakPolarHBondContact OE1-CD 3.39Å; E281-K298 VanDerWaalsContact OE1-CE 3.26Å; E281-K298 WeakPolarHBondContact OE1-CE 3.45Å; E281-K298 IonicContact OE1-NZ 2.66Å
282E93.5Very high91.6Very high91 Ų9157 Ų5743%0.42527%0.271SS..Hα-helixtrans-62.3-41172.3-68.3174.7-170.100111.7K278 K279 Q285 K286K278-E282 PolarHBondContact O-N 3.47Å; K279-E282 VanDerWaalsContact CD-OE2 3.26Å; K279-E282 WeakPolarHBondContact CD-OE2 3.5Å; K279-E282 IonicContact NZ-OE2 2.7Å; K279-E282 PolarHBondContact NZ-OE2 3.31Å; K279-E282 WeakPolarHBondContact O-CB 3.34Å; K279-E282 PolarHBondContact O-N 3.5Å; E282-Q285 PolarHBondContact O-N 2.9Å; E282-K286 PolarHBondContact O-N 3.08Å; E282-K286 VanDerWaalsContact O-N 3.1Å
283L92.9Very high91.5Very high0 Ų055.7 Ų55.70%027%0.266CS..Hα-helixtrans-68.4-35.1176.6-67.1179.9000112.3L163 E164 Q167 R210 K279 L280 E281 K286 F287L163-L283 HydrophobicContact CD2-CD1 3.82Å; L163-L283 HydrophobicContact CG-CD1 4.03Å; E164-L283 HydrophobicContact CB-CD1 4.35Å; E164-L283 HydrophobicContact CB-CD2 4.04Å; E164-L283 HydrophobicContact CG-CD2 4.03Å; Q167-L283 PolarHBondContact NE2-O 3.48Å; R210-L283 PolarHBondContact NH2-O 3.26Å; K279-L283 WeakPolarHBondContact O-CG 3.36Å; K279-L283 PolarHBondContact O-N 2.98Å; L280-L283 HydrophobicContact CD2-CD1 4.47Å; L280-L283 PolarHBondContact O-N 2.95Å; E281-L283 VanDerWaalsContact C-N 3.33Å; L283-K286 HydrophobicContact CD2-CD 4.35Å; L283-K286 PolarHBondContact O-N 3.39Å; L283-F287 PolarHBondContact O-N 3.17Å
284E93.2Very high91.4Very high28 Ų2855.8 Ų55.813%0.13127%0.266CS..Hα-helixtrans-62.5-44.6171.5-178.8-172.3-166.900111.1L280 E281 K286 F287 I294 T295L280-E284 WeakPolarHBondContact O-CB 3.22Å; L280-E284 PolarHBondContact O-N 2.84Å; E281-E284 WeakPolarHBondContact O-CB 3.14Å; E281-E284 PolarHBondContact O-N 3.48Å; E284-K286 VanDerWaalsContact C-N 3.3Å; E284-K286 PolarHBondContact O-N 3.38Å; E284-F287 CarbonylContact O-C 3.2Å; E284-F287 PolarHBondContact O-N 2.7Å; E284-I294 HydrophobicContact CB-CG2 3.99Å; E284-I294 HydrophobicContact CG-CG2 4.46Å; E284-T295 VanDerWaalsContact OE1-CA 3.3Å; E284-T295 WeakPolarHBondContact OE1-CA 3.43Å; E284-T295 WeakPolarHBondContact OE1-CB 3.13Å; E284-T295 WeakPolarHBondContact OE1-CG2 3.34Å; E284-T295 PolarHBondContact OE1-OG1 2.75Å
285Q92.6Very high91.4Very high167 Ų16757.3 Ų57.378%0.7828%0.28SS*.Hα-helixtrans-61.4-38.2177-72.9175.413.100112.5E281 E282E281-Q285 WeakPolarHBondContact O-CG 3.29Å; E281-Q285 PolarHBondContact O-N 3.46Å; E282-Q285 PolarHBondContact O-N 2.9Å
286K92.1Very high91.4Very high109 Ų10958.3 Ų58.347%0.47428%0.282SS..Hα-helixtrans-67.6-40174.9-73.6-179.7177.7-176.20112E164 D168 E282 L283 E284E164-K286 IonicContact OE1-NZ 3.42Å; D168-K286 IonicContact OD1-NZ 2.64Å; D168-K286 PolarHBondContact OD1-NZ 3.46Å; D168-K286 IonicContact OD2-NZ 3.21Å; E282-K286 PolarHBondContact O-N 3.08Å; E282-K286 VanDerWaalsContact O-N 3.1Å; L283-K286 HydrophobicContact CD2-CD 4.35Å; L283-K286 PolarHBondContact O-N 3.39Å; E284-K286 VanDerWaalsContact C-N 3.3Å; E284-K286 PolarHBondContact O-N 3.38Å
287F90.2Very high91.4Very high50 Ų5058.7 Ų58.722%0.21929%0.285CS..  trans-156.4125.4-175.7-179.4-107.9000111.8Y170 F203 R210 L283 E284 Y289Y170-F287 HydrophobicContact CE1-CD2 4.3Å; Y170-F287 HydrophobicContact CE1-CE1 4.36Å; Y170-F287 AromaticContact CE1-CE2 3.9Å; Y170-F287 HydrophobicContact CE1-CE2 3.9Å; Y170-F287 AromaticContact CE1-CZ 3.93Å; Y170-F287 HydrophobicContact CE1-CZ 3.93Å; F203-F287 AromaticContact CD2-CE1 3.88Å; F203-F287 HydrophobicContact CD2-CE1 3.88Å; F203-F287 AromaticContact CD2-CZ 3.67Å; F203-F287 HydrophobicContact CD2-CZ 3.67Å; F203-F287 AromaticContact CE2-CE1 3.96Å; F203-F287 HydrophobicContact CE2-CE1 3.96Å; F203-F287 AromaticContact CE2-CZ 3.8Å; F203-F287 HydrophobicContact CE2-CZ 3.8Å; R210-F287 PolarHBondContact NH1-O 3.43Å; R210-F287 VanDerWaalsContact NH1-O 3.1Å; R210-F287 PolarHBondContact NH2-O 2.98Å; L283-F287 PolarHBondContact O-N 3.17Å; E284-F287 CarbonylContact O-C 3.2Å; E284-F287 PolarHBondContact O-N 2.7Å; F287-Y289 HydrophobicContact CD1-CD1 4.24Å; F287-Y289 HydrophobicContact CD1-CE1 4.48Å; F287-Y289 AromaticContact CE1-CD1 3.61Å; F287-Y289 HydrophobicContact CE1-CD1 3.61Å; F287-Y289 AromaticContact CE1-CE1 3.95Å; F287-Y289 HydrophobicContact CE1-CE1 3.95Å; F287-Y289 HydrophobicContact CZ-CD1 4.12Å
288T91.9Very high91.1Very high77 Ų7761.6 Ų61.647%0.47230%0.297SS..  trans-140.4164176.2-166.60000111.4D292T288-D292 PolarHBondContact OG1-OD2 2.88Å
289Y90.5Very high91Very high37 Ų3762.5 Ų62.515%0.14530%0.302CS..  trans-158.6168.7-176.854.7-88.5000111.2F203 D207 F287 D292 P293F203-Y289 AromaticContact CE2-CD1 3.58Å; F203-Y289 HydrophobicContact CE2-CD1 3.58Å; F203-Y289 HydrophobicContact CE2-CD2 4Å; F203-Y289 AromaticContact CE2-CE1 3.91Å; F203-Y289 HydrophobicContact CE2-CE1 3.91Å; F203-Y289 HydrophobicContact CE2-CE2 4.3Å; F203-Y289 AromaticContact CE2-CG 3.62Å; F203-Y289 HydrophobicContact CE2-CG 3.62Å; F203-Y289 HydrophobicContact CZ-CD1 4.15Å; F203-Y289 AromaticContact CZ-CD2 3.7Å; F203-Y289 HydrophobicContact CZ-CD2 3.7Å; F203-Y289 HydrophobicContact CZ-CE1 4.39Å; F203-Y289 AromaticContact CZ-CE2 3.96Å; F203-Y289 HydrophobicContact CZ-CE2 3.96Å; F203-Y289 AromaticContact CZ-CG 3.79Å; F203-Y289 HydrophobicContact CZ-CG 3.79Å; D207-Y289 VanDerWaalsContact CA-OH 3.23Å; D207-Y289 WeakPolarHBondContact CA-OH 3.45Å; D207-Y289 HydrophobicContact CB-CE2 4.4Å; D207-Y289 VanDerWaalsContact CB-OH 3.28Å; D207-Y289 WeakPolarHBondContact CB-OH 3.32Å; D207-Y289 WeakPolarHBondContact OD1-CE2 3.29Å; D207-Y289 PolarHBondContact OD1-OH 3.22Å; F287-Y289 HydrophobicContact CD1-CD1 4.24Å; F287-Y289 HydrophobicContact CD1-CE1 4.48Å; F287-Y289 AromaticContact CE1-CD1 3.61Å; F287-Y289 HydrophobicContact CE1-CD1 3.61Å; F287-Y289 AromaticContact CE1-CE1 3.95Å; F287-Y289 HydrophobicContact CE1-CE1 3.95Å; F287-Y289 HydrophobicContact CZ-CD1 4.12Å; Y289-D292 HydrophobicContact CD1-CB 4.37Å; Y289-D292 HydrophobicContact CD2-CB 4.29Å; Y289-D292 HydrophobicContact CE1-CB 4.32Å; Y289-D292 HydrophobicContact CE2-CB 4.26Å; Y289-D292 HydrophobicContact CG-CB 4.35Å; Y289-D292 WeakPolarHBondContact O-CB 3.35Å; Y289-D292 PolarHBondContact O-N 3.05Å; Y289-P293 WeakPolarHBondContact OH-CD 3.29Å
290E89.1Confident91Very high169 Ų16964.3 Ų64.379%0.7932%0.318SS*.THydrogen-bonded Turntrans-105120.2175.4-171.161.3-130.700110.1
291P83.5Confident90.9Very high68 Ų6864.3 Ų64.344%0.44232%0.317SS..THydrogen-bonded Turncis-98.6108-4.832.1-25.1000114.2K296P291-K296 HydrophobicContact CB-CD 4.38Å; P291-K296 VanDerWaalsContact CB-CE 3.44Å
292D91.1Very high90.8Very high3 Ų363.7 Ų63.72%0.01632%0.319CS..  trans-70.4124.6174.4-177.1-0.2000111.6R210 T288 Y289 I294 T295 K296R210-D292 IonicContact NH1-OD1 2.55Å; R210-D292 PolarHBondContact NH1-OD1 2.9Å; R210-D292 VanDerWaalsContact NH1-OD1 3.09Å; R210-D292 IonicContact NH1-OD2 3.78Å; R210-D292 PolarHBondContact NH1-OD2 3.31Å; T288-D292 PolarHBondContact OG1-OD2 2.88Å; Y289-D292 HydrophobicContact CD1-CB 4.37Å; Y289-D292 HydrophobicContact CD2-CB 4.29Å; Y289-D292 HydrophobicContact CE1-CB 4.32Å; Y289-D292 HydrophobicContact CE2-CB 4.26Å; Y289-D292 HydrophobicContact CG-CB 4.35Å; Y289-D292 WeakPolarHBondContact O-CB 3.35Å; Y289-D292 PolarHBondContact O-N 3.05Å; D292-I294 VanDerWaalsContact C-N 3.27Å; D292-I294 PolarHBondContact O-N 3.34Å; D292-I294 PolarHBondContact OD1-N 3.45Å; D292-T295 PolarHBondContact OD2-OG1 2.76Å; D292-K296 PolarHBondContact O-N 3.03Å
293P91.5Very high90.7Very high10 Ų1063.3 Ų63.37%0.06532%0.32CS..Hα-helixtrans-63.8-28177.629-39.3000113.6R210 K211 I214 Y289 N297R210-P293 HydrophobicContact CB-CG 3.56Å; K211-P293 HydrophobicContact CG-CB 4.05Å; K211-P293 HydrophobicContact CG-CG 3.98Å; I214-P293 HydrophobicContact CG1-CB 4.45Å; Y289-P293 WeakPolarHBondContact OH-CD 3.29Å; P293-N297 PolarHBondContact O-N 3.36Å; P293-N297 PolarHBondContact O-ND2 3.27Å
294I91.4Very high90.7Very high3 Ų366.5 Ų66.52%0.01533%0.332CS..Hα-helixtrans-66.7-53.9180-60.4177.9000109.2R210 L280 E284 D292 K296 N297 K298R210-I294 HydrophobicContact CB-CG1 4.43Å; R210-I294 HydrophobicContact CG-CD1 3.95Å; R210-I294 HydrophobicContact CG-CG1 4.31Å; L280-I294 HydrophobicContact CB-CD1 4.29Å; L280-I294 HydrophobicContact CB-CG2 4.1Å; L280-I294 HydrophobicContact CD2-CD1 4.02Å; E284-I294 HydrophobicContact CB-CG2 3.99Å; E284-I294 HydrophobicContact CG-CG2 4.46Å; D292-I294 VanDerWaalsContact C-N 3.27Å; D292-I294 PolarHBondContact O-N 3.34Å; D292-I294 PolarHBondContact OD1-N 3.45Å; I294-K296 PolarHBondContact O-N 2.97Å; I294-N297 PolarHBondContact O-N 2.85Å; I294-N297 VanDerWaalsContact O-N 3.12Å; I294-K298 VanDerWaalsContact O-CB 3.26Å; I294-K298 WeakPolarHBondContact O-CB 3.41Å; I294-K298 PolarHBondContact O-N 2.99Å
295T90.9Very high90.7Very high68 Ų6865.4 Ų65.442%0.41733%0.327SS..Hα-helixtrans-53.8-41.8178.2-46.20000112.1E284 D292E284-T295 VanDerWaalsContact OE1-CA 3.3Å; E284-T295 WeakPolarHBondContact OE1-CA 3.43Å; E284-T295 WeakPolarHBondContact OE1-CB 3.13Å; E284-T295 WeakPolarHBondContact OE1-CG2 3.34Å; E284-T295 PolarHBondContact OE1-OG1 2.75Å; D292-T295 PolarHBondContact OD2-OG1 2.76Å
296K91.1Very high90.5Very high131 Ų13159.7 Ų59.757%0.5730%0.3SS*.Hα-helixtrans-68.5-33.9-179.2-75.6-175.8173.9-174.10114.4P291 D292 I294P291-K296 HydrophobicContact CB-CD 4.38Å; P291-K296 VanDerWaalsContact CB-CE 3.44Å; D292-K296 PolarHBondContact O-N 3.03Å; I294-K296 PolarHBondContact O-N 2.97Å
297N91Very high90.4Very high25 Ų2559.6 Ų59.613%0.13430%0.304CS..Hα-helixtrans-107.7-16-170.1-68.4-86.3000113.9I214 R218 P293 I294 Q299 V300 L301I214-N297 HydrophobicContact CD1-CB 4.33Å; I214-N297 HydrophobicContact CG2-CB 3.86Å; R218-N297 PolarHBondContact NH2-OD1 3.08Å; P293-N297 PolarHBondContact O-N 3.36Å; P293-N297 PolarHBondContact O-ND2 3.27Å; I294-N297 PolarHBondContact O-N 2.85Å; I294-N297 VanDerWaalsContact O-N 3.12Å; N297-Q299 VanDerWaalsContact C-N 3.34Å; N297-Q299 PolarHBondContact O-N 3.04Å; N297-V300 PolarHBondContact O-N 3.02Å; N297-L301 HydrophobicContact CB-CD1 3.97Å; N297-L301 HydrophobicContact CB-CG 4.24Å; N297-L301 WeakPolarHBondContact O-CG 3.15Å; N297-L301 PolarHBondContact O-N 2.95Å
298K87.6Confident90.5Very high76 Ų7657.5 Ų57.533%0.3330%0.295SS..Hα-helixtrans-42.3-54.6-177.5138.5178.4178.2172.50113.6E281 I294 S302E281-K298 HydrophobicContact CG-CD 4.21Å; E281-K298 WeakPolarHBondContact OE1-CD 3.39Å; E281-K298 VanDerWaalsContact OE1-CE 3.26Å; E281-K298 WeakPolarHBondContact OE1-CE 3.45Å; E281-K298 IonicContact OE1-NZ 2.66Å; I294-K298 VanDerWaalsContact O-CB 3.26Å; I294-K298 WeakPolarHBondContact O-CB 3.41Å; I294-K298 PolarHBondContact O-N 2.99Å; K298-S302 VanDerWaalsContact O-CB 3.29Å; K298-S302 WeakPolarHBondContact O-CB 3.49Å; K298-S302 PolarHBondContact O-N 2.86Å
299Q88.4Confident90.5Very high96 Ų9654.5 Ų54.545%0.44928%0.275SS..Hα-helixtrans-68.3-47.9-173.6-170.46238.800111.1N297 L301 S302 D303N297-Q299 VanDerWaalsContact C-N 3.34Å; N297-Q299 PolarHBondContact O-N 3.04Å; Q299-L301 VanDerWaalsContact C-N 3.34Å; Q299-L301 PolarHBondContact O-N 3.42Å; Q299-S302 PolarHBondContact O-N 2.87Å; Q299-D303 WeakPolarHBondContact CG-OD2 3.24Å; Q299-D303 VanDerWaalsContact NE2-CG 3.26Å; Q299-D303 PolarHBondContact NE2-OD1 3.49Å; Q299-D303 PolarHBondContact NE2-OD2 3.01Å; Q299-D303 WeakPolarHBondContact O-CB 3.49Å; Q299-D303 VanDerWaalsContact O-CG 3.28Å; Q299-D303 PolarHBondContact O-N 3.41Å
300V92.7Very high90.3Very high89 Ų8955 Ų5554%0.53928%0.279SS..Hα-helixtrans-60.5-42.9-178.7177.70000111.5N297 R304N297-V300 PolarHBondContact O-N 3.02Å; V300-R304 VanDerWaalsContact O-CB 3.22Å; V300-R304 WeakPolarHBondContact O-CB 3.4Å; V300-R304 PolarHBondContact O-N 2.78Å; V300-R304 VanDerWaalsContact O-N 3.13Å
301L92.9Very high90.4Very high2 Ų250.4 Ų50.41%0.0126%0.257CS..Hα-helixtrans-71.2-40.2179.5-63.7178.1000111.7I214 I217 R218 L221 L277 N297 Q299 T305I214-L301 HydrophobicContact CD1-CD1 3.77Å; I214-L301 HydrophobicContact CG2-CD1 4.36Å; I217-L301 HydrophobicContact CG2-CD1 4.05Å; I217-L301 HydrophobicContact CG2-CD2 4.23Å; R218-L301 HydrophobicContact CB-CD2 4.46Å; L221-L301 HydrophobicContact CD1-CD2 3.85Å; L277-L301 HydrophobicContact CD1-CB 4Å; L277-L301 HydrophobicContact CD2-CB 3.78Å; L277-L301 HydrophobicContact CD2-CD1 3.97Å; N297-L301 HydrophobicContact CB-CD1 3.97Å; N297-L301 HydrophobicContact CB-CG 4.24Å; N297-L301 WeakPolarHBondContact O-CG 3.15Å; N297-L301 PolarHBondContact O-N 2.95Å; Q299-L301 VanDerWaalsContact C-N 3.34Å; Q299-L301 PolarHBondContact O-N 3.42Å; L301-T305 VanDerWaalsContact O-CB 3.31Å; L301-T305 WeakPolarHBondContact O-CB 3.43Å; L301-T305 PolarHBondContact O-N 3.05Å; L301-T305 PolarHBondContact O-OG1 3.36Å
302S89.6Confident90.7Very high39 Ų3947.2 Ų47.227%0.27324%0.237SC..Hα-helixtrans-62.8-49.8177.3-173.70000111.8K298 Q299 R304 T305 F306K298-S302 VanDerWaalsContact O-CB 3.29Å; K298-S302 WeakPolarHBondContact O-CB 3.49Å; K298-S302 PolarHBondContact O-N 2.86Å; Q299-S302 PolarHBondContact O-N 2.87Å; S302-R304 PolarHBondContact O-N 3.4Å; S302-T305 PolarHBondContact O-N 2.96Å; S302-F306 PolarHBondContact O-N 2.87Å
303D90.3Very high90.6Very high83 Ų8347.2 Ų47.244%0.44424%0.237SC..Hα-helixtrans-63.2-43.4-179.2-68.9-22.2000111.5Q299 F306 L307Q299-D303 WeakPolarHBondContact CG-OD2 3.24Å; Q299-D303 VanDerWaalsContact NE2-CG 3.26Å; Q299-D303 PolarHBondContact NE2-OD1 3.49Å; Q299-D303 PolarHBondContact NE2-OD2 3.01Å; Q299-D303 WeakPolarHBondContact O-CB 3.49Å; Q299-D303 VanDerWaalsContact O-CG 3.28Å; Q299-D303 PolarHBondContact O-N 3.41Å; D303-F306 PolarHBondContact O-N 2.94Å; D303-L307 WeakPolarHBondContact O-CB 3.38Å; D303-L307 PolarHBondContact O-N 3.24Å
304R93.9Very high90.4Very high66 Ų6650.2 Ų50.225%0.24925%0.25CC..Hα-helixtrans-66.3-41.1178.6-168173.9179.5-155.50.8112.2L221 N222 E225 V300 S302 F306 L307 L308L221-R304 HydrophobicContact CD1-CB 4.48Å; N222-R304 VanDerWaalsContact OD1-CZ 3.23Å; N222-R304 PolarHBondContact OD1-NH1 3.4Å; N222-R304 PolarHBondContact OD1-NH2 3.39Å; E225-R304 IonicContact OE2-CZ 2.79Å; E225-R304 IonicContact OE2-NE 3.84Å; E225-R304 IonicContact OE2-NH2 3.68Å; E225-R304 PolarHBondContact OE2-NH2 3.04Å; V300-R304 VanDerWaalsContact O-CB 3.22Å; V300-R304 WeakPolarHBondContact O-CB 3.4Å; V300-R304 PolarHBondContact O-N 2.78Å; V300-R304 VanDerWaalsContact O-N 3.13Å; S302-R304 PolarHBondContact O-N 3.4Å; R304-F306 VanDerWaalsContact C-N 3.33Å; R304-F306 PolarHBondContact O-N 2.97Å; R304-L307 PolarHBondContact O-N 3.47Å; R304-L308 HydrophobicContact CG-CD1 4.46Å; R304-L308 WeakPolarHBondContact O-CG 3.15Å; R304-L308 PolarHBondContact O-N 3.33Å; R304-L308 VanDerWaalsContact O-N 3.1Å
305T92.7Very high90.4Very high5 Ų551.5 Ų51.53%0.03126%0.259CS..Hα-helixtrans-62-43.1175.3-56.20000110.8L270 I273 R274 L301 S302 F309L270-T305 HydrophobicContact CD2-CG2 4.11Å; I273-T305 HydrophobicContact CB-CG2 4.27Å; I273-T305 HydrophobicContact CG2-CG2 4.02Å; R274-T305 HydrophobicContact CB-CG2 4.37Å; L301-T305 VanDerWaalsContact O-CB 3.31Å; L301-T305 WeakPolarHBondContact O-CB 3.43Å; L301-T305 PolarHBondContact O-N 3.05Å; L301-T305 PolarHBondContact O-OG1 3.36Å; S302-T305 PolarHBondContact O-N 2.96Å; T305-F309 WeakPolarHBondContact O-CB 3.34Å; T305-F309 PolarHBondContact O-N 3.08Å
306F88.6Confident90.4Very high47 Ų4748.2 Ų48.221%0.20624%0.239CC..Hα-helixtrans-64.8-45.5177.9175.4-111.3000112.4S302 D303 R304 L308 F309 Q310 L444 V450 V452S302-F306 PolarHBondContact O-N 2.87Å; D303-F306 PolarHBondContact O-N 2.94Å; R304-F306 VanDerWaalsContact C-N 3.33Å; R304-F306 PolarHBondContact O-N 2.97Å; F306-L308 PolarHBondContact O-N 3.46Å; F306-F309 PolarHBondContact O-N 2.96Å; F306-Q310 HydrophobicContact CZ-CB 4.4Å; F306-Q310 VanDerWaalsContact O-CB 3.31Å; F306-Q310 WeakPolarHBondContact O-CB 3.45Å; F306-Q310 PolarHBondContact O-N 3.31Å; F306-L444 HydrophobicContact CD2-CD1 3.84Å; F306-L444 HydrophobicContact CD2-CD2 3.7Å; F306-L444 HydrophobicContact CD2-CG 4.21Å; F306-L444 HydrophobicContact CE2-CD1 3.94Å; F306-L444 HydrophobicContact CE2-CD2 3.2Å; F306-L444 HydrophobicContact CE2-CG 4.13Å; F306-L444 HydrophobicContact CZ-CD2 3.67Å; F306-V450 HydrophobicContact CZ-CG1 3.96Å; F306-V452 HydrophobicContact CZ-CG2 4.3Å
307L90.1Very high90.4Very high107 Ų10742.2 Ų42.256%0.5621%0.213SC*.Hα-helixtrans-60.6-45.3179.6-176.466.9000111.9D303 R304 Q310 Q311D303-L307 WeakPolarHBondContact O-CB 3.38Å; D303-L307 PolarHBondContact O-N 3.24Å; R304-L307 PolarHBondContact O-N 3.47Å; L307-Q310 PolarHBondContact O-N 2.85Å; L307-Q311 PolarHBondContact O-N 3.29Å
308L92.5Very high90.5Very high6 Ų641.1 Ų41.13%0.03121%0.207CC..Hα-helixtrans-61.4-46.4176.5-72.2172.3000111.1L221 I224 E225 Q228 L270 R304 F306 Q310 Q311 L312L221-L308 HydrophobicContact CD2-CD1 4.05Å; I224-L308 HydrophobicContact CG2-CD1 4.33Å; E225-L308 HydrophobicContact CB-CD1 4.36Å; E225-L308 HydrophobicContact CB-CD2 3.86Å; E225-L308 HydrophobicContact CG-CD2 3.94Å; Q228-L308 PolarHBondContact NE2-O 3.28Å; Q228-L308 PolarHBondContact OE1-O 3.22Å; L270-L308 HydrophobicContact CD1-CB 4.21Å; L270-L308 HydrophobicContact CD2-CB 3.98Å; L270-L308 HydrophobicContact CD2-CD1 4.4Å; R304-L308 HydrophobicContact CG-CD1 4.46Å; R304-L308 WeakPolarHBondContact O-CG 3.15Å; R304-L308 PolarHBondContact O-N 3.33Å; R304-L308 VanDerWaalsContact O-N 3.1Å; F306-L308 PolarHBondContact O-N 3.46Å; L308-Q310 PolarHBondContact O-N 3.32Å; L308-Q311 PolarHBondContact O-N 3.21Å; L308-L312 WeakPolarHBondContact O-CB 3.46Å; L308-L312 PolarHBondContact O-N 3.25Å
309F90.7Very high90.8Very high15 Ų1537.8 Ų37.87%0.06619%0.193CC..Hα-helixtrans-61.6-43.6176.9-177.7-101.6000111.9A267 L270 Q271 T305 F306 L312 I313A267-F309 HydrophobicContact CB-CE2 4.23Å; L270-F309 HydrophobicContact CB-CB 4.39Å; L270-F309 HydrophobicContact CB-CD2 4.13Å; L270-F309 HydrophobicContact CD1-CB 4.19Å; L270-F309 HydrophobicContact CD1-CD2 4.46Å; Q271-F309 HydrophobicContact CG-CD2 4.39Å; Q271-F309 HydrophobicContact CG-CE2 3.87Å; Q271-F309 HydrophobicContact CG-CZ 4.35Å; Q271-F309 VanDerWaalsContact NE2-CE1 3.3Å; T305-F309 WeakPolarHBondContact O-CB 3.34Å; T305-F309 PolarHBondContact O-N 3.08Å; F306-F309 PolarHBondContact O-N 2.96Å; F309-L312 PolarHBondContact O-N 3.43Å; F309-I313 HydrophobicContact CE1-CG2 4.43Å; F309-I313 WeakPolarHBondContact O-CB 3.46Å; F309-I313 VanDerWaalsContact O-CG2 3.28Å; F309-I313 WeakPolarHBondContact O-CG2 3.29Å; F309-I313 PolarHBondContact O-N 2.91Å
310Q87.3Confident91Very high48 Ų4835.3 Ų35.322%0.22418%0.182CC..Hα-helixtrans-59.6-48.6178-176.3-179.16.800111.4F306 L307 L308 L312 I313 Q314 V452F306-Q310 HydrophobicContact CZ-CB 4.4Å; F306-Q310 VanDerWaalsContact O-CB 3.31Å; F306-Q310 WeakPolarHBondContact O-CB 3.45Å; F306-Q310 PolarHBondContact O-N 3.31Å; L307-Q310 PolarHBondContact O-N 2.85Å; L308-Q310 PolarHBondContact O-N 3.32Å; Q310-L312 VanDerWaalsContact C-N 3.35Å; Q310-L312 PolarHBondContact O-N 2.93Å; Q310-I313 VanDerWaalsContact O-CG2 3.26Å; Q310-I313 WeakPolarHBondContact O-CG2 3.44Å; Q310-Q314 VanDerWaalsContact O-CB 3.32Å; Q310-Q314 WeakPolarHBondContact O-CB 3.35Å; Q310-Q314 WeakPolarHBondContact O-CG 3.44Å; Q310-Q314 PolarHBondContact O-N 3.26Å; Q310-V452 HydrophobicContact CG-CG1 4.03Å
311Q89.8Confident91Very high71 Ų7136.8 Ų36.833%0.33218%0.177SC..Hα-helixtrans-64.5-40.2178.8-176.9-172.34.500111.7I232 L307 L308 S315I232-Q311 HydrophobicContact CD1-CG 4.16Å; L307-Q311 PolarHBondContact O-N 3.29Å; L308-Q311 PolarHBondContact O-N 3.21Å; Q311-S315 WeakPolarHBondContact O-CB 3.14Å; Q311-S315 PolarHBondContact O-N 3.44Å; Q311-S315 PolarHBondContact O-OG 3.19Å
312L91.4Very high91.1Very high1 Ų137.2 Ų37.21%0.00518%0.179CC..Hα-helixtrans-64.7-49.6178.9-174.673.1000111.1Q228 L231 I232 F263 V266 A267 L270 L308 F309 Q310 Q314 S315 S316Q228-L312 HydrophobicContact CG-CD1 4.12Å; L231-L312 HydrophobicContact CD2-CD1 4.15Å; I232-L312 HydrophobicContact CD1-CD1 4.46Å; F263-L312 HydrophobicContact CD1-CD1 3.55Å; F263-L312 HydrophobicContact CD1-CG 4.05Å; F263-L312 HydrophobicContact CE1-CD1 3.69Å; F263-L312 HydrophobicContact CE1-CG 4.42Å; F263-L312 HydrophobicContact CG-CD1 4.46Å; V266-L312 HydrophobicContact CB-CD2 4.05Å; V266-L312 HydrophobicContact CG1-CD1 4.47Å; V266-L312 HydrophobicContact CG1-CD2 3.8Å; A267-L312 HydrophobicContact CB-CD2 3.83Å; L270-L312 HydrophobicContact CD1-CD2 3.98Å; L308-L312 WeakPolarHBondContact O-CB 3.46Å; L308-L312 PolarHBondContact O-N 3.25Å; F309-L312 PolarHBondContact O-N 3.43Å; Q310-L312 VanDerWaalsContact C-N 3.35Å; Q310-L312 PolarHBondContact O-N 2.93Å; L312-Q314 VanDerWaalsContact C-N 3.34Å; L312-Q314 PolarHBondContact O-N 3.45Å; L312-S315 PolarHBondContact O-N 2.94Å; L312-S316 WeakPolarHBondContact O-CB 3.4Å; L312-S316 PolarHBondContact O-N 3.24Å
313I88.6Confident91.3Very high4 Ų435.4 Ų35.42%0.02117%0.166CC..Hα-helixtrans-66.3-38-177.9-162.468.9000111.2F309 Q310 S316 L347 V349 L354 F454F309-I313 HydrophobicContact CE1-CG2 4.43Å; F309-I313 WeakPolarHBondContact O-CB 3.46Å; F309-I313 VanDerWaalsContact O-CG2 3.28Å; F309-I313 WeakPolarHBondContact O-CG2 3.29Å; F309-I313 PolarHBondContact O-N 2.91Å; Q310-I313 VanDerWaalsContact O-CG2 3.26Å; Q310-I313 WeakPolarHBondContact O-CG2 3.44Å; I313-S316 PolarHBondContact O-N 2.99Å; I313-S316 PolarHBondContact O-OG 3.19Å; I313-L347 HydrophobicContact CD1-CD1 4.48Å; I313-L347 HydrophobicContact CD1-CD2 3.97Å; I313-L347 HydrophobicContact CD1-CG 4.43Å; I313-V349 HydrophobicContact CD1-CB 3.54Å; I313-V349 HydrophobicContact CD1-CG1 3.67Å; I313-V349 HydrophobicContact CD1-CG2 3.78Å; I313-L354 HydrophobicContact CD1-CD1 4.2Å; I313-F454 HydrophobicContact CB-CE1 4.13Å; I313-F454 HydrophobicContact CG1-CE1 3.68Å; I313-F454 HydrophobicContact CG1-CZ 3.91Å; I313-F454 HydrophobicContact CG2-CE1 3.7Å; I313-F454 HydrophobicContact CG2-CZ 3.98Å
314Q87.3Confident91.6Very high73 Ų7332.3 Ų32.334%0.34115%0.151SC..Hα-helixtrans-63.9-46.1174.4-75175.9-18.300112Q310 L312 S316 F317 V452 P453 F454Q310-Q314 VanDerWaalsContact O-CB 3.32Å; Q310-Q314 WeakPolarHBondContact O-CB 3.35Å; Q310-Q314 WeakPolarHBondContact O-CG 3.44Å; Q310-Q314 PolarHBondContact O-N 3.26Å; L312-Q314 VanDerWaalsContact C-N 3.34Å; L312-Q314 PolarHBondContact O-N 3.45Å; Q314-S316 PolarHBondContact O-N 3.06Å; Q314-F317 PolarHBondContact O-N 3.44Å; Q314-V452 HydrophobicContact CG-CG1 4.22Å; Q314-P453 PolarHBondContact NE2-O 3.45Å; Q314-F454 HydrophobicContact CG-CD1 4.22Å; Q314-F454 HydrophobicContact CG-CE1 4.29Å
315S90.2Very high91.6Very high29 Ų2929.2 Ų29.220%0.20314%0.14CC..Hα-helixtrans-67.1-26.3178.4-58.10000113L236 Q311 L312 F317L236-S315 WeakPolarHBondContact CD2-O 3.45Å; Q311-S315 WeakPolarHBondContact O-CB 3.14Å; Q311-S315 PolarHBondContact O-N 3.44Å; Q311-S315 PolarHBondContact O-OG 3.19Å; L312-S315 PolarHBondContact O-N 2.94Å; S315-F317 PolarHBondContact O-N 3.08Å
316S91.8Very high91.6Very high0 Ų033.1 Ų33.10%017%0.165CC..THydrogen-bonded Turntrans-71.5-15.1178.482.40000114L312 I313 Q314 V318 L347 L348L312-S316 WeakPolarHBondContact O-CB 3.4Å; L312-S316 PolarHBondContact O-N 3.24Å; I313-S316 PolarHBondContact O-N 2.99Å; I313-S316 PolarHBondContact O-OG 3.19Å; Q314-S316 PolarHBondContact O-N 3.06Å; S316-V318 PolarHBondContact O-N 3.18Å; S316-L347 WeakPolarHBondContact O-CA 3.33Å; S316-L347 WeakPolarHBondContact OG-CD1 3.4Å; S316-L348 WeakPolarHBondContact O-CG 3.3Å; S316-L348 PolarHBondContact O-N 3.12Å
317F92.1Very high91.7Very high4 Ų435.4 Ų35.42%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-85.4102.3-179-178.1-133.1000111.1Q314 S315 L345 L347 V360 M390 F435 T437 F454 T456Q314-F317 PolarHBondContact O-N 3.44Å; S315-F317 PolarHBondContact O-N 3.08Å; F317-L345 HydrophobicContact CE2-CB 4.08Å; F317-L345 HydrophobicContact CE2-CD1 3.96Å; F317-L345 HydrophobicContact CE2-CG 4.46Å; F317-L345 HydrophobicContact CZ-CD1 3.89Å; F317-L347 HydrophobicContact CB-CD1 3.89Å; F317-L347 HydrophobicContact CD2-CD1 4.41Å; F317-V360 HydrophobicContact CZ-CG1 4Å; F317-M390 HydrophobicContact CD2-CE 3.5Å; F317-M390 HydrophobicContact CE2-CE 3.16Å; F317-M390 HydrophobicContact CZ-CE 4.21Å; F317-F435 HydrophobicContact CE1-CB 4.16Å; F317-F435 HydrophobicContact CZ-CB 3.89Å; F317-T437 HydrophobicContact CD1-CG2 4.47Å; F317-T437 HydrophobicContact CE1-CG2 4.13Å; F317-T437 HydrophobicContact CE2-CG2 4.36Å; F317-T437 HydrophobicContact CZ-CG2 4.06Å; F317-F454 HydrophobicContact CB-CD1 4.41Å; F317-F454 HydrophobicContact CD1-CB 3.76Å; F317-F454 HydrophobicContact CE1-CB 4.15Å; F317-F454 HydrophobicContact CG-CB 4.41Å; F317-T456 HydrophobicContact CD1-CG2 3.59Å; F317-T456 HydrophobicContact CD2-CG2 4.44Å; F317-T456 HydrophobicContact CE1-CG2 3.45Å; F317-T456 VanDerWaalsContact CE1-CG2 3.45Å; F317-T456 HydrophobicContact CE2-CG2 4.28Å; F317-T456 HydrophobicContact CG-CG2 4.13Å; F317-T456 HydrophobicContact CZ-CG2 3.82Å; F317-T456 VanDerWaalsContact O-CB 3.29Å; F317-T456 WeakPolarHBondContact O-CB 3.3Å; F317-T456 PolarHBondContact O-OG1 3.38Å; F317-T456 VanDerWaalsContact O-OG1 3.04Å
318V92.6Very high91.6Very high2 Ų233.1 Ų33.11%0.01217%0.169CC..EExtended strand (participates in β ladder)trans-128.6157.7-171.8-61.70000112.9L236 W239 L256 S316 E320 L345 R346 L348L236-V318 HydrophobicContact CD1-CG1 4.03Å; W239-V318 HydrophobicContact CZ3-CB 4.44Å; W239-V318 HydrophobicContact CZ3-CG2 4.47Å; L256-V318 HydrophobicContact CD1-CG2 4.44Å; S316-V318 PolarHBondContact O-N 3.18Å; V318-E320 PolarHBondContact O-N 3.23Å; V318-L345 WeakPolarHBondContact O-CA 3.44Å; V318-R346 PolarHBondContact N-O 3.08Å; V318-R346 PolarHBondContact O-N 2.91Å; V318-L348 HydrophobicContact CG1-CD1 4.47Å; V318-L348 HydrophobicContact CG2-CD1 4.35Å; V318-L348 HydrophobicContact CG2-CD2 4.07Å; V318-L348 HydrophobicContact CG2-CG 4.06Å
319V93.2Very high91.4Very high6 Ų637.2 Ų37.24%0.03620%0.196CC..EExtended strand (participates in β ladder)trans-83.3107.2168.9-173.90000107.9Q243 R321 V343 L345 F435 T456Q243-V319 PolarHBondContact NE2-O 3Å; V319-R321 WeakPolarHBondContact CG1-O 3.29Å; V319-V343 HydrophobicContact CG1-CG1 3.97Å; V319-L345 HydrophobicContact CB-CD2 4.22Å; V319-L345 HydrophobicContact CG1-CD2 4.39Å; V319-L345 HydrophobicContact CG2-CD2 3.71Å; V319-F435 HydrophobicContact CG2-CD2 4.17Å; V319-F435 HydrophobicContact CG2-CE2 4.05Å; V319-T456 HydrophobicContact CG2-CG2 4.11Å
320E92.8Very high91.1Very high45 Ų4539.7 Ų39.721%0.2121%0.208CC..EExtended strand (participates in β ladder)trans-75.1-45.4178.4172.6173.6-133.300111.3Q243 L256 V318 K344 R346Q243-E320 PolarHBondContact NE2-O 3.48Å; L256-E320 HydrophobicContact CD1-CB 3.96Å; L256-E320 HydrophobicContact CD1-CG 3.82Å; V318-E320 PolarHBondContact O-N 3.23Å; E320-K344 PolarHBondContact N-O 3.44Å; E320-K344 WeakPolarHBondContact OE2-CD 3.34Å; E320-K344 WeakPolarHBondContact OE2-CE 3.41Å; E320-K344 IonicContact OE2-NZ 3.26Å; E320-K344 PolarHBondContact OE2-NZ 3.16Å; E320-R346 HydrophobicContact CB-CB 3.86Å; E320-R346 WeakPolarHBondContact OE1-CD 3.24Å; E320-R346 IonicContact OE1-CZ 3.97Å; E320-R346 IonicContact OE1-NE 2.78Å; E320-R346 IonicContact OE1-NH1 3.88Å; E320-R346 PolarHBondContact OE1-NH1 2.99Å
321R92.9Very high91.3Very high119 Ų11938.3 Ų38.345%0.44920%0.201SC..EExtended strand (participates in β ladder)trans-120.8114.7176-167.4-176-65.6150.50.6109.4V319 V343 K344 E403V319-R321 WeakPolarHBondContact CG1-O 3.29Å; R321-V343 WeakPolarHBondContact O-CG1 3.16Å; R321-K344 HydrophobicContact CB-CB 3.65Å; R321-K344 PolarHBondContact N-O 3.46Å; R321-K344 PolarHBondContact O-N 2.83Å; R321-K344 VanDerWaalsContact O-N 3.08Å; R321-E403 IonicContact NH1-OE1 3.8Å; R321-E403 PolarHBondContact NH1-OE1 2.87Å
322Q94.3Very high91.5Very high12 Ų1235.7 Ų35.76%0.05619%0.19CC..EExtended strand (participates in β ladder)trans-62156.8178.9-67.3-64.5-16.700111.9C324 L333 L459Q322-C324 PolarHBondContact O-N 3.42Å; Q322-C324 VanDerWaalsContact O-N 3.16Å; Q322-L333 HydrophobicContact CB-CD2 3.92Å; Q322-L333 HydrophobicContact CG-CD2 4.44Å; Q322-L459 HydrophobicContact CG-CD1 4.08Å; Q322-L459 VanDerWaalsContact OE1-N 3.07Å
323P95.4Very high91.7Very high0 Ų035.6 Ų35.60%019%0.19CC..EExtended strand (participates in β ladder)trans-51.6118.9178.7-23.930.1000113L333 L335 F341 T342 V343 L433 V461P323-L333 HydrophobicContact CG-CD2 4.48Å; P323-L333 PolarHBondContact O-N 3.47Å; P323-L335 HydrophobicContact CB-CD1 4.21Å; P323-L335 HydrophobicContact CB-CD2 4.28Å; P323-F341 HydrophobicContact CB-CD2 4.27Å; P323-F341 HydrophobicContact CB-CE2 4.49Å; P323-T342 WeakPolarHBondContact CA-O 3.35Å; P323-V343 HydrophobicContact CB-CG2 3.94Å; P323-V343 HydrophobicContact CG-CG2 3.83Å; P323-L433 HydrophobicContact CB-CD1 3.91Å; P323-L433 HydrophobicContact CG-CD1 3.44Å; P323-L433 VanDerWaalsContact CG-CD1 3.44Å; P323-V461 HydrophobicContact CB-CG2 4.34Å; P323-V461 HydrophobicContact CG-CG2 4.08Å
324C95.5Very high92Very high18 Ų1835.4 Ų35.412%0.12219%0.189CC..EExtended strand (participates in β ladder)trans-145.6138.1-176.5-1740000111.4Q322 P332 F341 T342Q322-C324 PolarHBondContact O-N 3.42Å; Q322-C324 VanDerWaalsContact O-N 3.16Å; C324-P332 HydrophobicContact CB-CB 4.39Å; C324-F341 WeakPolarHBondContact O-CA 3.46Å; C324-T342 PolarHBondContact N-O 2.81Å; C324-T342 PolarHBondContact O-N 3.43Å; C324-T342 PolarHBondContact O-OG1 3.34Å
325M94.6Very high92.4Very high2 Ų232 Ų321%0.0117%0.173CC..  trans-82.7124.3173.4-63.7-171.9-69.900109.8T327 H328 V334 L335 K336 V339 F341 L470M325-T327 PolarHBondContact O-N 3.28Å; M325-T327 VanDerWaalsContact O-N 3.09Å; M325-H328 HydrophobicContact CE-CB 4.29Å; M325-H328 CarbonylContact O-C 3.54Å; M325-H328 VanDerWaalsContact O-C 3.22Å; M325-H328 PolarHBondContact O-N 3.45Å; M325-V334 WeakPolarHBondContact CE-O 3.25Å; M325-L335 HydrophobicContact CG-CD2 4.06Å; M325-K336 HydrophobicContact CE-CB 4.12Å; M325-K336 HydrophobicContact SD-CB 3.71Å; M325-K336 PolarHBondContact SD-N 3.14Å; M325-V339 HydrophobicContact CG-CG1 4.31Å; M325-V339 HydrophobicContact SD-CB 3.95Å; M325-V339 HydrophobicContact SD-CG1 3.71Å; M325-F341 HydrophobicContact CG-CB 4.1Å; M325-L470 HydrophobicContact CE-CD1 4.17Å
326P91.6Very high92.6Very high86 Ų8633.4 Ų33.456%0.55818%0.175SC*.THydrogen-bonded Turntrans-57.4-25.9176.7-27.936.4000114.3H328 Q340 T342P326-H328 VanDerWaalsContact C-N 3.29Å; P326-H328 PolarHBondContact O-N 3.44Å; P326-Q340 WeakPolarHBondContact CD-O 3.25Å; P326-T342 HydrophobicContact CG-CG2 3.72Å
327T90.4Very high92.7Very high95 Ų9535 Ų3558%0.58318%0.184SC*.THydrogen-bonded Turntrans-73.6-19.4175.857.50000113.4M325M325-T327 PolarHBondContact O-N 3.28Å; M325-T327 VanDerWaalsContact O-N 3.09Å
328H88Confident92.5Very high59 Ų5937.2 Ų37.227%0.27321%0.209SC..  trans-137.466.4-178.1-61-68.5000111.2M325 P326 Q330 R331M325-H328 HydrophobicContact CE-CB 4.29Å; M325-H328 CarbonylContact O-C 3.54Å; M325-H328 VanDerWaalsContact O-C 3.22Å; M325-H328 PolarHBondContact O-N 3.45Å; P326-H328 VanDerWaalsContact C-N 3.29Å; P326-H328 PolarHBondContact O-N 3.44Å; H328-Q330 PolarHBondContact O-N 3.38Å; H328-R331 PolarHBondContact O-N 3.27Å
329P88.2Confident92.6Very high93 Ų9338.7 Ų38.760%0.60422%0.218SC*.THydrogen-bonded Turntrans-64.9-23.1-175.126.8-35.2000113.6R331P329-R331 PolarHBondContact O-N 2.9Å
330Q85.2Confident92.7Very high67 Ų6742.9 Ų42.931%0.31324%0.237SC..THydrogen-bonded Turntrans-76.9-5-179.8-67.6-177.6-29.200114.3H328 K572H328-Q330 PolarHBondContact O-N 3.38Å; Q330-K572 VanDerWaalsContact CD-NZ 3.33Å
331R91.6Very high92.8Very high18 Ų1840.8 Ų40.87%0.06823%0.227CC..SBendtrans-134.667.1-173.4-59.2-68.1-174.4-115.49.4110H328 P329 L470 W474 D565H328-R331 PolarHBondContact O-N 3.27Å; P329-R331 PolarHBondContact O-N 2.9Å; R331-L470 HydrophobicContact CG-CD2 4.01Å; R331-L470 HydrophobicContact CG-CG 4.43Å; R331-W474 HydrophobicContact CB-CE3 4.21Å; R331-W474 HydrophobicContact CG-CD2 4.49Å; R331-D565 IonicContact CZ-OD1 3.41Å; R331-D565 IonicContact NE-OD1 3.72Å; R331-D565 IonicContact NH2-OD1 2.93Å; R331-D565 PolarHBondContact NH2-OD1 2.83Å
332P93.6Very high92.9Very high16 Ų1636 Ų3610%0.10421%0.212CC..THydrogen-bonded Turntrans-61.5163.2173.329.2-35.7000111C247 C324 V334 W474C247-P332 HydrophobicContact CB-CG 4.15Å; C247-P332 WeakPolarHBondContact O-CG 3.38Å; C324-P332 HydrophobicContact CB-CB 4.39Å; P332-V334 PolarHBondContact O-N 3.18Å; P332-W474 HydrophobicContact CG-CH2 4.14Å; P332-W474 HydrophobicContact CG-CZ3 4.04Å; P332-W474 WeakPolarHBondContact O-CZ3 3.39Å
333L95.1Very high93Very high0 Ų035.5 Ų35.50%021%0.209CC..THydrogen-bonded Turntrans63.30.7178.3-51.6173.1000116Q322 P323 L459 V461 V462 I477Q322-L333 HydrophobicContact CB-CD2 3.92Å; Q322-L333 HydrophobicContact CG-CD2 4.44Å; P323-L333 HydrophobicContact CG-CD2 4.48Å; P323-L333 PolarHBondContact O-N 3.47Å; L333-L459 HydrophobicContact CD1-CB 3.8Å; L333-L459 HydrophobicContact CD1-CD1 4.01Å; L333-L459 HydrophobicContact CD2-CB 3.88Å; L333-V461 HydrophobicContact CD2-CG2 4.21Å; L333-V461 CarbonylContact O-C 3.54Å; L333-V461 VanDerWaalsContact O-CA 3.27Å; L333-V461 WeakPolarHBondContact O-CA 3.42Å; L333-V461 VanDerWaalsContact O-CG1 3.28Å; L333-V461 WeakPolarHBondContact O-CG1 3.39Å; L333-V462 PolarHBondContact O-N 3.09Å; L333-I477 HydrophobicContact CB-CD1 3.64Å; L333-I477 HydrophobicContact CB-CG1 3.98Å; L333-I477 HydrophobicContact CB-CG2 3.99Å; L333-I477 HydrophobicContact CD1-CG2 3.9Å; L333-I477 HydrophobicContact CG-CG2 4.49Å
334V96.3Very high92.9Very high0 Ų036.3 Ų36.30%021%0.213CC..EExtended strand (participates in β ladder)trans-105.7117.3167.5-174.20000107.8M325 P332 I464 L470 W474 I477M325-V334 WeakPolarHBondContact CE-O 3.25Å; P332-V334 PolarHBondContact O-N 3.18Å; V334-I464 HydrophobicContact CG1-CD1 3.79Å; V334-I464 HydrophobicContact CG1-CG1 4.21Å; V334-I464 HydrophobicContact CG1-CG2 4.08Å; V334-L470 HydrophobicContact CG1-CD1 4.05Å; V334-W474 HydrophobicContact CG2-CB 4.48Å; V334-W474 HydrophobicContact CG2-CE3 4.19Å; V334-I477 HydrophobicContact CG2-CG1 3.75Å
335L95.8Very high92.8Very high1 Ų135.5 Ų35.51%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-116.2127.4-177.5-61-173.8000111.1P323 M325 F341 L409 V461 V462 V463 I464P323-L335 HydrophobicContact CB-CD1 4.21Å; P323-L335 HydrophobicContact CB-CD2 4.28Å; M325-L335 HydrophobicContact CG-CD2 4.06Å; L335-F341 HydrophobicContact CD1-CD1 4.02Å; L335-F341 HydrophobicContact CD1-CD2 3.89Å; L335-F341 HydrophobicContact CD1-CE1 4.02Å; L335-F341 HydrophobicContact CD1-CE2 3.87Å; L335-F341 HydrophobicContact CD1-CG 3.96Å; L335-F341 HydrophobicContact CD1-CZ 3.93Å; L335-F341 HydrophobicContact CD2-CB 3.64Å; L335-F341 HydrophobicContact CD2-CD1 4.31Å; L335-F341 HydrophobicContact CD2-CD2 4.05Å; L335-F341 HydrophobicContact CD2-CG 3.75Å; L335-F341 HydrophobicContact CG-CG 4.47Å; L335-L409 HydrophobicContact CB-CD1 4.11Å; L335-L409 HydrophobicContact CD1-CD1 3.85Å; L335-V461 HydrophobicContact CB-CG1 4.08Å; L335-V461 HydrophobicContact CD1-CG1 3.59Å; L335-V461 HydrophobicContact CG-CG1 3.49Å; L335-V461 VanDerWaalsContact CG-CG1 3.49Å; L335-V462 PolarHBondContact N-O 2.9Å; L335-V463 CarbonylContact O-C 3.55Å; L335-V463 WeakPolarHBondContact O-CA 3.49Å; L335-I464 PolarHBondContact O-N 3.3Å
336K94.5Very high92.7Very high59 Ų5935.9 Ų35.926%0.25721%0.208SC..EExtended strand (participates in β ladder)trans-90.3132173.7-176-179.4162.9-160.70110.9M325 G338 V339 I464 S465 V467M325-K336 HydrophobicContact CE-CB 4.12Å; M325-K336 HydrophobicContact SD-CB 3.71Å; M325-K336 PolarHBondContact SD-N 3.14Å; K336-G338 PolarHBondContact O-N 3Å; K336-V339 HydrophobicContact CB-CB 4.2Å; K336-V339 HydrophobicContact CB-CG2 3.93Å; K336-V339 HydrophobicContact CD-CG2 3.71Å; K336-V339 HydrophobicContact CG-CG2 3.91Å; K336-V339 PolarHBondContact O-N 3.18Å; K336-V339 VanDerWaalsContact O-N 3.16Å; K336-I464 WeakPolarHBondContact CA-O 3.42Å; K336-I464 HydrophobicContact CB-CD1 4.24Å; K336-I464 HydrophobicContact CB-CG1 3.84Å; K336-I464 HydrophobicContact CG-CG1 4.25Å; K336-S465 WeakPolarHBondContact CE-O 3.4Å; K336-V467 HydrophobicContact CD-CG2 4.04Å
337T92.6Very high92.7Very high32 Ų3231.8 Ų31.820%0.19618%0.182CC..THydrogen-bonded Turntrans-56.2137.517353.80000111.7V339 F380 L409 V463 I464T337-V339 PolarHBondContact O-N 3.29Å; T337-F380 HydrophobicContact CG2-CD1 4.09Å; T337-F380 HydrophobicContact CG2-CE1 3.73Å; T337-L409 WeakPolarHBondContact CA-O 3.4Å; T337-V463 HydrophobicContact CG2-CG1 3.67Å; T337-I464 PolarHBondContact N-O 3.21Å; T337-I464 PolarHBondContact OG1-O 2.98Å
338G89.3Confident92.9Very high52 Ų5227.3 Ų27.354%0.53615%0.154SC..THydrogen-bonded Turntrans74.2-6-176.900000116.2K336 Q408 L409K336-G338 PolarHBondContact O-N 3Å; G338-Q408 PolarHBondContact O-NE2 3.02Å; G338-L409 PolarHBondContact N-O 3.45Å
339V93.9Very high93Very high33 Ų3324.5 Ų24.520%0.214%0.141CC..SBendtrans-95.5143.6175-178.90000110.2M325 K336 T337M325-V339 HydrophobicContact CG-CG1 4.31Å; M325-V339 HydrophobicContact SD-CB 3.95Å; M325-V339 HydrophobicContact SD-CG1 3.71Å; K336-V339 HydrophobicContact CB-CB 4.2Å; K336-V339 HydrophobicContact CB-CG2 3.93Å; K336-V339 HydrophobicContact CD-CG2 3.71Å; K336-V339 HydrophobicContact CG-CG2 3.91Å; K336-V339 PolarHBondContact O-N 3.18Å; K336-V339 VanDerWaalsContact O-N 3.16Å; T337-V339 PolarHBondContact O-N 3.29Å
340Q94.6Very high93Very high93 Ų9322.7 Ų22.744%0.43512%0.124SC..EExtended strand (participates in β ladder)trans-73.5139.1176-63.4-173.411.200110.9P326 H406 L407 Q408P326-Q340 WeakPolarHBondContact CD-O 3.25Å; Q340-H406 PolarHBondContact OE1-ND1 3.41Å; Q340-L407 CarbonylContact C-O 3.47Å; Q340-L407 VanDerWaalsContact CA-O 3.29Å; Q340-L407 WeakPolarHBondContact CA-O 3.4Å; Q340-Q408 HydrophobicContact CB-CG 4.32Å; Q340-Q408 HydrophobicContact CG-CG 3.64Å
341F95.7Very high93Very high2 Ų220.3 Ų20.31%0.00911%0.113CC..EExtended strand (participates in β ladder)trans-133.8161.9173.470.6-85.4000110.8P323 C324 M325 L335 V343 L407 L409 L433P323-F341 HydrophobicContact CB-CD2 4.27Å; P323-F341 HydrophobicContact CB-CE2 4.49Å; C324-F341 WeakPolarHBondContact O-CA 3.46Å; M325-F341 HydrophobicContact CG-CB 4.1Å; L335-F341 HydrophobicContact CD1-CD1 4.02Å; L335-F341 HydrophobicContact CD1-CD2 3.89Å; L335-F341 HydrophobicContact CD1-CE1 4.02Å; L335-F341 HydrophobicContact CD1-CE2 3.87Å; L335-F341 HydrophobicContact CD1-CG 3.96Å; L335-F341 HydrophobicContact CD1-CZ 3.93Å; L335-F341 HydrophobicContact CD2-CB 3.64Å; L335-F341 HydrophobicContact CD2-CD1 4.31Å; L335-F341 HydrophobicContact CD2-CD2 4.05Å; L335-F341 HydrophobicContact CD2-CG 3.75Å; L335-F341 HydrophobicContact CG-CG 4.47Å; F341-V343 HydrophobicContact CD2-CG2 4.07Å; F341-V343 HydrophobicContact CE2-CG2 3.91Å; F341-L407 HydrophobicContact CD1-CB 4.02Å; F341-L407 WeakPolarHBondContact CD1-O 3.49Å; F341-L407 HydrophobicContact CD2-CB 4.17Å; F341-L407 HydrophobicContact CD2-CD1 4.48Å; F341-L407 HydrophobicContact CE1-CB 3.54Å; F341-L407 HydrophobicContact CE2-CB 3.72Å; F341-L407 HydrophobicContact CE2-CD1 3.7Å; F341-L407 HydrophobicContact CE2-CG 4.37Å; F341-L407 HydrophobicContact CG-CB 4.32Å; F341-L407 HydrophobicContact CZ-CB 3.38Å; F341-L407 HydrophobicContact CZ-CD1 3.93Å; F341-L407 HydrophobicContact CZ-CG 4.3Å; F341-L407 PolarHBondContact N-O 3.41Å; F341-L407 PolarHBondContact O-N 2.84Å; F341-L409 HydrophobicContact CE1-CD2 4.38Å; F341-L409 HydrophobicContact CE1-CG 3.87Å; F341-L409 HydrophobicContact CZ-CG 4.39Å; F341-L433 HydrophobicContact CE2-CD1 3.76Å; F341-L433 HydrophobicContact CZ-CD1 4.23Å
342T95.4Very high92.6Very high19 Ų1926 Ų2612%0.11714%0.14CC..EExtended strand (participates in β ladder)trans-120.1148.7-176.670.90000111.3P323 C324 P326 F404 R405P323-T342 WeakPolarHBondContact CA-O 3.35Å; C324-T342 PolarHBondContact N-O 2.81Å; C324-T342 PolarHBondContact O-N 3.43Å; C324-T342 PolarHBondContact O-OG1 3.34Å; P326-T342 HydrophobicContact CG-CG2 3.72Å; T342-F404 CarbonylContact C-O 3.25Å; T342-F404 WeakPolarHBondContact CA-O 3.39Å; T342-R405 HydrophobicContact CG2-CB 4.34Å
343V95.3Very high92Very high0 Ų030.3 Ų30.30%016%0.159CC..EExtended strand (participates in β ladder)trans-141140.5170.7-173.20000108.1V319 R321 P323 F341 F404 L407 L433 F435V319-V343 HydrophobicContact CG1-CG1 3.97Å; R321-V343 WeakPolarHBondContact O-CG1 3.16Å; P323-V343 HydrophobicContact CB-CG2 3.94Å; P323-V343 HydrophobicContact CG-CG2 3.83Å; F341-V343 HydrophobicContact CD2-CG2 4.07Å; F341-V343 HydrophobicContact CE2-CG2 3.91Å; V343-F404 PolarHBondContact N-O 3.32Å; V343-F404 PolarHBondContact O-N 3.37Å; V343-L407 HydrophobicContact CG2-CD1 4.31Å; V343-L433 HydrophobicContact CG2-CD1 4.19Å; V343-F435 HydrophobicContact CB-CZ 4.24Å; V343-F435 HydrophobicContact CG1-CE1 4.17Å; V343-F435 HydrophobicContact CG1-CE2 4.26Å; V343-F435 HydrophobicContact CG1-CZ 3.6Å; V343-F435 HydrophobicContact CG2-CZ 4.27Å
344K94.1Very high91.4Very high18 Ų1830.3 Ų30.38%0.07816%0.159CC..EExtended strand (participates in β ladder)trans-121.4127.2173.9-165.1178.7-179.8-153.70110.6E320 R321 E393 E403E320-K344 PolarHBondContact N-O 3.44Å; E320-K344 WeakPolarHBondContact OE2-CD 3.34Å; E320-K344 WeakPolarHBondContact OE2-CE 3.41Å; E320-K344 IonicContact OE2-NZ 3.26Å; E320-K344 PolarHBondContact OE2-NZ 3.16Å; R321-K344 HydrophobicContact CB-CB 3.65Å; R321-K344 PolarHBondContact N-O 3.46Å; R321-K344 PolarHBondContact O-N 2.83Å; R321-K344 VanDerWaalsContact O-N 3.08Å; K344-E393 VanDerWaalsContact CE-OE1 3.27Å; K344-E393 WeakPolarHBondContact CE-OE1 3.46Å; K344-E393 WeakPolarHBondContact CE-OE2 3.44Å; K344-E393 IonicContact NZ-OE1 2.69Å; K344-E393 IonicContact NZ-OE2 2.64Å; K344-E393 PolarHBondContact NZ-OE2 3.36Å; K344-E403 HydrophobicContact CB-CG 4.26Å; K344-E403 HydrophobicContact CG-CB 4.11Å; K344-E403 HydrophobicContact CG-CG 4.26Å
345L93.1Very high90.8Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-105.3148.6173.9-57.3172.4000109.5F317 V318 V319 V360 A401 A402 F404 F435 T456F317-L345 HydrophobicContact CE2-CB 4.08Å; F317-L345 HydrophobicContact CE2-CD1 3.96Å; F317-L345 HydrophobicContact CE2-CG 4.46Å; F317-L345 HydrophobicContact CZ-CD1 3.89Å; V318-L345 WeakPolarHBondContact O-CA 3.44Å; V319-L345 HydrophobicContact CB-CD2 4.22Å; V319-L345 HydrophobicContact CG1-CD2 4.39Å; V319-L345 HydrophobicContact CG2-CD2 3.71Å; L345-V360 HydrophobicContact CD1-CB 4.39Å; L345-V360 HydrophobicContact CD1-CG1 3.53Å; L345-V360 HydrophobicContact CD1-CG2 4.46Å; L345-A401 CarbonylContact O-C 3.4Å; L345-A401 WeakPolarHBondContact O-CA 3.48Å; L345-A401 WeakPolarHBondContact O-CB 3.25Å; L345-A402 PolarHBondContact N-O 3.32Å; L345-A402 PolarHBondContact O-N 2.77Å; L345-F404 HydrophobicContact CD1-CE2 3.86Å; L345-F435 HydrophobicContact CD1-CB 3.73Å; L345-F435 HydrophobicContact CD1-CD1 3.53Å; L345-F435 HydrophobicContact CD1-CD2 4.41Å; L345-F435 HydrophobicContact CD1-CE1 4.24Å; L345-F435 HydrophobicContact CD1-CG 3.62Å; L345-F435 HydrophobicContact CD2-CB 4.28Å; L345-F435 HydrophobicContact CD2-CD1 4.12Å; L345-F435 HydrophobicContact CD2-CD2 3.67Å; L345-F435 HydrophobicContact CD2-CE1 4.38Å; L345-F435 HydrophobicContact CD2-CE2 4Å; L345-F435 HydrophobicContact CD2-CG 3.74Å; L345-F435 HydrophobicContact CD2-CZ 4.36Å; L345-F435 HydrophobicContact CG-CD1 4.23Å; L345-F435 HydrophobicContact CG-CG 4.24Å; L345-T456 HydrophobicContact CD2-CG2 4.24Å
346R93.1Very high90.2Very high10 Ų1039.3 Ų39.34%0.03820%0.197CC..EExtended strand (participates in β ladder)trans-137.5141.5176.5-175.1165.7173176-2.7109.7D257 V318 E320 A401D257-R346 IonicContact OD1-CZ 3.07Å; D257-R346 IonicContact OD1-NH1 2.84Å; D257-R346 IonicContact OD1-NH2 3.77Å; D257-R346 PolarHBondContact OD1-NH2 3.17Å; V318-R346 PolarHBondContact N-O 3.08Å; V318-R346 PolarHBondContact O-N 2.91Å; E320-R346 HydrophobicContact CB-CB 3.86Å; E320-R346 WeakPolarHBondContact OE1-CD 3.24Å; E320-R346 IonicContact OE1-CZ 3.97Å; E320-R346 IonicContact OE1-NE 2.78Å; E320-R346 IonicContact OE1-NH1 3.88Å; E320-R346 PolarHBondContact OE1-NH1 2.99Å; R346-A401 HydrophobicContact CB-CB 4.49Å
347L92.1Very high89.7Confident1 Ų140.8 Ų40.81%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-96.6120.2165.7-16272.3000107.8I313 S316 F317 V349 L354 L358 M390 L400I313-L347 HydrophobicContact CD1-CD1 4.48Å; I313-L347 HydrophobicContact CD1-CD2 3.97Å; I313-L347 HydrophobicContact CD1-CG 4.43Å; S316-L347 WeakPolarHBondContact O-CA 3.33Å; S316-L347 WeakPolarHBondContact OG-CD1 3.4Å; F317-L347 HydrophobicContact CB-CD1 3.89Å; F317-L347 HydrophobicContact CD2-CD1 4.41Å; L347-V349 WeakPolarHBondContact CD2-O 3.24Å; L347-V349 HydrophobicContact CG-CB 4.45Å; L347-V349 PolarHBondContact O-N 3.49Å; L347-L354 HydrophobicContact CD2-CD1 3.82Å; L347-L358 HydrophobicContact CD2-CD1 3.62Å; L347-M390 HydrophobicContact CB-SD 4.07Å; L347-L400 HydrophobicContact CB-CB 4.48Å; L347-L400 HydrophobicContact CB-CD2 4.2Å; L347-L400 HydrophobicContact CB-CG 4.41Å; L347-L400 HydrophobicContact CD2-CD2 3.77Å; L347-L400 PolarHBondContact N-O 3.3Å
348L92.8Very high89.3Confident0 Ų039.3 Ų39.30%020%0.199CC..SBendtrans-71-21.1179.6-56.2178.2000112.2L236 L256 L259 Q260 F263 T264 S316 V318L236-L348 HydrophobicContact CD1-CD1 3.98Å; L256-L348 HydrophobicContact CB-CD2 4.13Å; L256-L348 HydrophobicContact CD1-CD2 4.04Å; L256-L348 HydrophobicContact CD2-CD2 3.66Å; L256-L348 HydrophobicContact CG-CD2 4.17Å; L259-L348 HydrophobicContact CB-CD1 4.3Å; Q260-L348 WeakPolarHBondContact CA-O 3.43Å; Q260-L348 WeakPolarHBondContact CG-O 3.22Å; F263-L348 HydrophobicContact CB-CB 3.89Å; F263-L348 HydrophobicContact CD1-CB 4.34Å; F263-L348 HydrophobicContact CD2-CB 4.08Å; F263-L348 HydrophobicContact CD2-CD1 3.89Å; F263-L348 HydrophobicContact CE2-CD1 3.85Å; F263-L348 HydrophobicContact CG-CB 3.85Å; F263-L348 HydrophobicContact CG-CD1 4.38Å; F263-L348 HydrophobicContact CZ-CD1 4.31Å; T264-L348 PolarHBondContact OG1-O 3.37Å; S316-L348 WeakPolarHBondContact O-CG 3.3Å; S316-L348 PolarHBondContact O-N 3.12Å; V318-L348 HydrophobicContact CG1-CD1 4.47Å; V318-L348 HydrophobicContact CG2-CD1 4.35Å; V318-L348 HydrophobicContact CG2-CD2 4.07Å; V318-L348 HydrophobicContact CG2-CG 4.06Å
349V90.6Very high89.2Confident0 Ų043.1 Ų43.10%020%0.201CC..  trans-83.3117.7169.5173.90000109.2F263 A267 I313 L347 L351 L354F263-V349 HydrophobicContact CB-CG2 4.16Å; F263-V349 HydrophobicContact CD1-CG2 4.37Å; A267-V349 HydrophobicContact CB-CB 4.33Å; A267-V349 HydrophobicContact CB-CG1 3.54Å; A267-V349 HydrophobicContact CB-CG2 3.83Å; I313-V349 HydrophobicContact CD1-CB 3.54Å; I313-V349 HydrophobicContact CD1-CG1 3.67Å; I313-V349 HydrophobicContact CD1-CG2 3.78Å; L347-V349 WeakPolarHBondContact CD2-O 3.24Å; L347-V349 HydrophobicContact CG-CB 4.45Å; L347-V349 PolarHBondContact O-N 3.49Å; V349-L351 HydrophobicContact CG1-CD1 3.9Å; V349-L351 HydrophobicContact CG1-CG 3.76Å; V349-L354 HydrophobicContact CG1-CD1 4.3Å
350K89.5Confident89Confident55 Ų5541.6 Ų41.624%0.23919%0.191CC..  trans-109.287.3-179.7-172.1-164.2175.6-172.60110.7Q260 T264 M392 N397 G398Q260-K350 HydrophobicContact CG-CB 4.45Å; T264-K350 HydrophobicContact CG2-CB 4.21Å; T264-K350 WeakPolarHBondContact CG2-O 3.49Å; T264-K350 PolarHBondContact OG1-N 2.9Å; K350-M392 HydrophobicContact CD-CE 4.46Å; K350-M392 HydrophobicContact CD-SD 4.41Å; K350-M392 HydrophobicContact CG-CE 3.61Å; K350-M392 HydrophobicContact CG-SD 3.97Å; K350-N397 PolarHBondContact NZ-O 3.28Å; K350-G398 WeakPolarHBondContact CD-O 3.42Å; K350-G398 WeakPolarHBondContact CE-O 3.4Å; K350-G398 PolarHBondContact NZ-O 3.09Å
351L85.3Confident88.9Confident17 Ų1742.7 Ų42.79%0.08920%0.195CC..  trans-109.3136.1172-59173.6000109.7E268 Q271 V349 E353 L354E268-L351 HydrophobicContact CG-CD2 3.61Å; Q271-L351 HydrophobicContact CG-CD1 4.33Å; V349-L351 HydrophobicContact CG1-CD1 3.9Å; V349-L351 HydrophobicContact CG1-CG 3.76Å; L351-E353 PolarHBondContact O-N 2.85Å; L351-L354 HydrophobicContact CB-CD1 3.94Å; L351-L354 HydrophobicContact CB-CG 3.98Å; L351-L354 HydrophobicContact CD1-CD1 4.24Å; L351-L354 HydrophobicContact CG-CD1 4.35Å; L351-L354 WeakPolarHBondContact O-CB 3.29Å; L351-L354 PolarHBondContact O-N 2.86Å; L351-L354 VanDerWaalsContact O-N 3.08Å
352Q83.3Confident88.7Confident137 Ų13742.7 Ų42.764%0.6420%0.195SC*.G310 helixtrans-60.7-33.2178.9-69.7-64.8-13.500112.1L354 N355Q352-L354 PolarHBondContact O-N 2.84Å; Q352-L354 VanDerWaalsContact O-N 3.12Å; Q352-N355 VanDerWaalsContact O-CB 3.32Å; Q352-N355 WeakPolarHBondContact O-CB 3.48Å; Q352-N355 PolarHBondContact O-N 3.09Å; Q352-N355 VanDerWaalsContact O-N 3.12Å
353E80.8Confident88.4Confident107 Ų10742.9 Ų42.950%0.520%0.197SC..G310 helixtrans-63-14.7177-56.4174.2-171.300114L351 N357L351-E353 PolarHBondContact O-N 2.85Å; E353-N357 PolarHBondContact O-ND2 3.38Å
354L81.3Confident88.1Confident1 Ų143.7 Ų43.71%0.00520%0.2CC..G310 helixtrans-94.9-9.4179.4-59.6176.7000112.6I313 L347 V349 L351 Q352 Y356 N357 L358 L400 L439I313-L354 HydrophobicContact CD1-CD1 4.2Å; L347-L354 HydrophobicContact CD2-CD1 3.82Å; V349-L354 HydrophobicContact CG1-CD1 4.3Å; L351-L354 HydrophobicContact CB-CD1 3.94Å; L351-L354 HydrophobicContact CB-CG 3.98Å; L351-L354 HydrophobicContact CD1-CD1 4.24Å; L351-L354 HydrophobicContact CG-CD1 4.35Å; L351-L354 WeakPolarHBondContact O-CB 3.29Å; L351-L354 PolarHBondContact O-N 2.86Å; L351-L354 VanDerWaalsContact O-N 3.08Å; Q352-L354 PolarHBondContact O-N 2.84Å; Q352-L354 VanDerWaalsContact O-N 3.12Å; L354-Y356 PolarHBondContact O-N 2.78Å; L354-N357 PolarHBondContact O-N 2.55Å; L354-N357 VanDerWaalsContact O-N 3.16Å; L354-L358 HydrophobicContact CB-CD1 4.45Å; L354-L400 HydrophobicContact CB-CD2 3.76Å; L354-L400 HydrophobicContact CD1-CD2 4.46Å; L354-L439 HydrophobicContact CD2-CD1 3.37Å; L354-L439 HydrophobicContact CD2-CD2 3.78Å; L354-L439 HydrophobicContact CD2-CG 4.23Å
355N84.6Confident87.7Confident39 Ų3942.8 Ų42.821%0.20920%0.197CC..THydrogen-bonded Turntrans-62.1129.3-176.5-163.821.5000110.4Q352 N357 M392Q352-N355 VanDerWaalsContact O-CB 3.32Å; Q352-N355 WeakPolarHBondContact O-CB 3.48Å; Q352-N355 PolarHBondContact O-N 3.09Å; Q352-N355 VanDerWaalsContact O-N 3.12Å; N355-N357 PolarHBondContact O-N 3.23Å; N355-M392 HydrophobicContact CB-CG 4.49Å; N355-M392 PolarHBondContact OD1-N 3.29Å
356Y83.4Confident87Confident151 Ų15146.3 Ų46.359%0.59221%0.212SC*.THydrogen-bonded Turntrans61.7-0.6-175.4-55.4-73.2000117.5L354 V389 M390 N391L354-Y356 PolarHBondContact O-N 2.78Å; Y356-V389 HydrophobicContact CD1-CG1 4.08Å; Y356-V389 WeakPolarHBondContact O-CG1 3.48Å; Y356-M390 PolarHBondContact N-O 2.93Å; Y356-N391 HydrophobicContact CD1-CB 4.31Å; Y356-N391 HydrophobicContact CE1-CB 3.68Å
357N82.5Confident86.1Confident89 Ų8951 Ų5148%0.47624%0.237SC..THydrogen-bonded Turntrans-89.1-11.7-177.7-69.9-29.9000113.6E353 L354 N355E353-N357 PolarHBondContact O-ND2 3.38Å; L354-N357 PolarHBondContact O-N 2.55Å; L354-N357 VanDerWaalsContact O-N 3.16Å; N355-N357 PolarHBondContact O-N 3.23Å
358L84.1Confident85.2Confident2 Ų251.5 Ų51.51%0.0124%0.241CC..  trans-106.1105.7-178.3-64.4173.3000110.7L347 L354 V389 M390 L400 Q438 L439 F454L347-L358 HydrophobicContact CD2-CD1 3.62Å; L354-L358 HydrophobicContact CB-CD1 4.45Å; L358-V389 WeakPolarHBondContact O-CA 3.38Å; L358-M390 HydrophobicContact CB-CB 4.19Å; L358-M390 HydrophobicContact CB-CG 4.15Å; L358-M390 HydrophobicContact CB-SD 4.1Å; L358-M390 HydrophobicContact CD1-SD 3.78Å; L358-M390 PolarHBondContact O-N 2.87Å; L358-L400 HydrophobicContact CD1-CD2 4.24Å; L358-Q438 WeakPolarHBondContact CD2-O 3.44Å; L358-L439 HydrophobicContact CD2-CB 3.83Å; L358-L439 HydrophobicContact CD2-CD1 3.84Å; L358-L439 HydrophobicContact CD2-CG 4.42Å; L358-F454 HydrophobicContact CD2-CE2 4.43Å
359K88.3Confident84.1Confident132 Ų13257.3 Ų57.357%0.57427%0.272SS*.EExtended strand (participates in β ladder)trans-96.2107.3173.6-172.8177-179178.30110.1T387 V389 T437K359-T387 WeakPolarHBondContact CE-OG1 3.22Å; K359-V389 HydrophobicContact CB-CG2 4.39Å; K359-V389 HydrophobicContact CG-CG2 4.26Å; K359-T437 PolarHBondContact O-OG1 2.88Å
360V90.4Very high83Confident0 Ų058.6 Ų58.60%028%0.278CS..EExtended strand (participates in β ladder)trans-85.9133.9179-167.50000110.8F317 L345 T387 K388 M390 A402 F404 F435 E436 T437F317-V360 HydrophobicContact CZ-CG1 4Å; L345-V360 HydrophobicContact CD1-CB 4.39Å; L345-V360 HydrophobicContact CD1-CG1 3.53Å; L345-V360 HydrophobicContact CD1-CG2 4.46Å; V360-T387 CarbonylContact O-C 3.47Å; V360-T387 WeakPolarHBondContact O-CA 3.31Å; V360-K388 WeakPolarHBondContact CA-O 3.44Å; V360-K388 WeakPolarHBondContact CB-O 3.43Å; V360-K388 PolarHBondContact N-O 3.23Å; V360-K388 PolarHBondContact O-N 3.41Å; V360-M390 HydrophobicContact CG2-CE 3.61Å; V360-M390 HydrophobicContact CG2-CG 3.82Å; V360-M390 HydrophobicContact CG2-SD 4.47Å; V360-A402 HydrophobicContact CG2-CB 4.24Å; V360-F404 HydrophobicContact CB-CE2 4.44Å; V360-F404 HydrophobicContact CB-CZ 4.18Å; V360-F404 HydrophobicContact CG1-CE2 4.34Å; V360-F404 HydrophobicContact CG1-CZ 4.22Å; V360-F435 HydrophobicContact CG1-CB 4.07Å; V360-E436 CarbonylContact C-O 3.52Å; V360-E436 VanDerWaalsContact CA-O 3.3Å; V360-E436 WeakPolarHBondContact CA-O 3.23Å; V360-T437 HydrophobicContact CG2-CG2 4.41Å
361K90.9Very high81.6Confident116 Ų11659 Ų5950%0.50428%0.279SS..EExtended strand (participates in β ladder)trans-111.4133.6172.6-176.4-179.6178-175.40109.8H386 T387 F435 E436K361-H386 CarbonylContact C-O 3.15Å; K361-H386 WeakPolarHBondContact CA-O 3.43Å; K361-T387 HydrophobicContact CB-CG2 4.15Å; K361-T387 HydrophobicContact CG-CG2 4.14Å; K361-F435 WeakPolarHBondContact O-CA 3.39Å; K361-E436 PolarHBondContact N-O 2.63Å; K361-E436 PolarHBondContact O-N 3.27Å
362V91.9Very high80.7Confident3 Ų365 Ų652%0.01831%0.312CS..EExtended strand (participates in β ladder)trans-99.8139173.7650000110.9I382 H386 F404 L407 L433 F435V362-I382 HydrophobicContact CB-CD1 4.41Å; V362-I382 HydrophobicContact CG1-CD1 4.06Å; V362-I382 HydrophobicContact CG2-CD1 3.7Å; V362-H386 PolarHBondContact N-O 2.51Å; V362-F404 HydrophobicContact CB-CE1 4.3Å; V362-F404 HydrophobicContact CB-CZ 4.48Å; V362-F404 HydrophobicContact CG1-CD1 4.27Å; V362-F404 HydrophobicContact CG1-CE1 4.01Å; V362-L407 HydrophobicContact CG1-CD1 4.49Å; V362-L407 HydrophobicContact CG1-CD2 3.97Å; V362-L433 HydrophobicContact CG2-CD2 3.64Å; V362-F435 HydrophobicContact CB-CD1 3.92Å; V362-F435 HydrophobicContact CB-CE1 3.93Å; V362-F435 HydrophobicContact CG2-CD1 3.74Å; V362-F435 HydrophobicContact CG2-CE1 3.37Å; V362-F435 HydrophobicContact CG2-CZ 4.15Å
363S89.4Confident79.9Confident23 Ų2363.9 Ų63.916%0.16131%0.314CS..EExtended strand (participates in β ladder)trans-137.7150.6175.756.80000110.3K366 S434S363-K366 WeakPolarHBondContact OG-CB 3.15Å; S363-S434 PolarHBondContact N-O 3.14Å; S363-S434 PolarHBondContact O-N 2.78Å; S363-S434 WeakPolarHBondContact OG-CB 3.28Å; S363-S434 PolarHBondContact OG-O 3.35Å; S363-S434 VanDerWaalsContact OG-O 3.09Å
364F89.5Confident79.3Confident16 Ų1660 Ų607%0.0730%0.298CS..EExtended strand (participates in β ladder)trans-109.6127.7-178.8-160.6-101.7000110.3K366 K371 F380 I382 L409 H431 L433 V463F364-K366 PolarHBondContact O-N 3.11Å; F364-K371 PolarHBondContact O-NZ 3.48Å; F364-F380 HydrophobicContact CD1-CB 3.83Å; F364-F380 HydrophobicContact CE1-CB 3.71Å; F364-F380 AromaticContact CE1-CD2 3.85Å; F364-F380 HydrophobicContact CE1-CD2 3.85Å; F364-F380 HydrophobicContact CE1-CG 4.16Å; F364-I382 HydrophobicContact CB-CD1 3.88Å; F364-I382 HydrophobicContact CB-CG1 3.84Å; F364-L409 HydrophobicContact CD2-CD2 3.8Å; F364-L409 HydrophobicContact CE2-CD1 3.81Å; F364-L409 HydrophobicContact CE2-CD2 3.88Å; F364-L409 HydrophobicContact CG-CD2 4.13Å; F364-L409 HydrophobicContact CZ-CD1 3.84Å; F364-L409 HydrophobicContact CZ-CD2 4.27Å; F364-H431 HydrophobicContact CE1-CB 3.62Å; F364-H431 AromaticContact CE1-CG 3.72Å; F364-H431 AromaticContact CE1-ND1 3.7Å; F364-H431 HydrophobicContact CE2-CB 4.18Å; F364-H431 HydrophobicContact CZ-CB 3.3Å; F364-H431 AromaticContact CZ-CG 3.78Å; F364-L433 HydrophobicContact CD2-CD2 3.63Å; F364-L433 HydrophobicContact CD2-CG 3.86Å; F364-L433 HydrophobicContact CE2-CD2 4.31Å; F364-L433 HydrophobicContact CE2-CG 4.13Å; F364-V463 HydrophobicContact CE1-CG2 4.49Å; F364-V463 HydrophobicContact CZ-CG2 3.79Å
365D84.4Confident78.6Confident0 Ų066.4 Ų66.40%033%0.326CS..SBendtrans51.539.4-176.6-58.9-36.1000113.7D367 V368 K371 H431 S432D365-D367 PolarHBondContact O-N 3.18Å; D365-V368 HydrophobicContact CB-CB 4.08Å; D365-V368 HydrophobicContact CB-CG2 3.71Å; D365-K371 HydrophobicContact CB-CD 4.43Å; D365-K371 WeakPolarHBondContact O-CE 3.43Å; D365-K371 PolarHBondContact O-NZ 3.49Å; D365-H431 VanDerWaalsContact OD1-CA 3.23Å; D365-H431 WeakPolarHBondContact OD1-CA 3.46Å; D365-H431 VanDerWaalsContact OD1-CB 3.24Å; D365-H431 WeakPolarHBondContact OD1-CB 3.33Å; D365-H431 IonicContact OD1-CG 2.82Å; D365-H431 IonicContact OD1-ND1 2.75Å; D365-H431 IonicContact OD2-CE1 3.92Å; D365-H431 IonicContact OD2-CG 2.7Å; D365-H431 IonicContact OD2-ND1 3.18Å; D365-H431 PolarHBondContact OD2-ND1 3.46Å; D365-S432 PolarHBondContact N-O 2.87Å; D365-S432 PolarHBondContact OD1-N 2.86Å
366K79.9Confident78Confident74 Ų7467.6 Ų67.632%0.32235%0.348SS..THydrogen-bonded Turntrans-67.5133.3173.9-163.7-168.4172.6-177.50109.1S363 F364 V368 E436S363-K366 WeakPolarHBondContact OG-CB 3.15Å; F364-K366 PolarHBondContact O-N 3.11Å; K366-V368 VanDerWaalsContact C-N 3.28Å; K366-V368 PolarHBondContact O-N 2.95Å; K366-E436 WeakPolarHBondContact CD-OE1 3.05Å; K366-E436 WeakPolarHBondContact CE-OE1 3.48Å; K366-E436 IonicContact NZ-OE1 3.71Å; K366-E436 PolarHBondContact NZ-OE1 3.46Å; K366-E436 IonicContact NZ-OE2 2.64Å; K366-E436 PolarHBondContact NZ-OE2 2.92Å
367D73.4Confident77.8Confident107 Ų10761.6 Ų61.657%0.57233%0.325SS*.THydrogen-bonded Turntrans60.132.6179-45.9-44.4000114.4D365D365-D367 PolarHBondContact O-N 3.18Å
368V73.5Confident77.9Confident13 Ų1358.3 Ų58.38%0.07931%0.306CS..  trans-90.7112.9176.3172.10000110.3D365 K366 E370 K371 F377 L490D365-V368 HydrophobicContact CB-CB 4.08Å; D365-V368 HydrophobicContact CB-CG2 3.71Å; K366-V368 VanDerWaalsContact C-N 3.28Å; K366-V368 PolarHBondContact O-N 2.95Å; V368-E370 VanDerWaalsContact C-N 3.28Å; V368-E370 HydrophobicContact CG1-CB 3.86Å; V368-E370 WeakPolarHBondContact CG1-OE2 3.44Å; V368-E370 PolarHBondContact O-N 3.44Å; V368-K371 HydrophobicContact CB-CG 4.19Å; V368-K371 HydrophobicContact CG1-CG 4.2Å; V368-K371 WeakPolarHBondContact O-CB 3.36Å; V368-K371 PolarHBondContact O-N 3.32Å; V368-F377 HydrophobicContact CG1-CE1 4.5Å; V368-F377 HydrophobicContact CG1-CZ 4.34Å; V368-L490 HydrophobicContact CB-CD1 4.24Å; V368-L490 HydrophobicContact CG1-CD1 3.64Å; V368-L490 HydrophobicContact CG2-CD1 3.53Å
369N69.8Low77.9Confident121 Ų12161.3 Ų61.365%0.64732%0.319SS*.THydrogen-bonded Turntrans-63.5-35.4179.8-66.9-29.6000111.6K371 N372 T373N369-K371 PolarHBondContact O-N 2.96Å; N369-N372 PolarHBondContact O-N 3.37Å; N369-T373 PolarHBondContact O-N 3Å; N369-T373 PolarHBondContact O-OG1 3.23Å; N369-T373 VanDerWaalsContact O-OG1 3.12Å
370E67.5Low77.9Confident27 Ų2755.4 Ų55.413%0.12629%0.293CS..Hα-helixtrans-58.2-22.9179.7-68.586.2163.700113.1V368 N372 T373 V374 F377 S491V368-E370 VanDerWaalsContact C-N 3.28Å; V368-E370 HydrophobicContact CG1-CB 3.86Å; V368-E370 WeakPolarHBondContact CG1-OE2 3.44Å; V368-E370 PolarHBondContact O-N 3.44Å; E370-N372 PolarHBondContact O-N 3.44Å; E370-N372 VanDerWaalsContact O-N 3.12Å; E370-T373 PolarHBondContact O-N 3.47Å; E370-V374 HydrophobicContact CB-CB 4.37Å; E370-V374 HydrophobicContact CB-CG2 3.79Å; E370-V374 HydrophobicContact CG-CG2 3.8Å; E370-V374 WeakPolarHBondContact O-CB 3.4Å; E370-V374 PolarHBondContact O-N 2.9Å; E370-F377 HydrophobicContact CB-CD2 4.19Å; E370-F377 HydrophobicContact CB-CE2 4.16Å; E370-S491 PolarHBondContact OE1-N 2.74Å; E370-S491 PolarHBondContact OE1-OG 2.64Å
371K60.6Low77.8Confident63 Ų6359.2 Ų59.227%0.27431%0.313SS..Hα-helixtrans-57-25.8171.9-75.6-173.9169.7172.90113.8F364 D365 V368 N369 F377F364-K371 PolarHBondContact O-NZ 3.48Å; D365-K371 HydrophobicContact CB-CD 4.43Å; D365-K371 WeakPolarHBondContact O-CE 3.43Å; D365-K371 PolarHBondContact O-NZ 3.49Å; V368-K371 HydrophobicContact CB-CG 4.19Å; V368-K371 HydrophobicContact CG1-CG 4.2Å; V368-K371 WeakPolarHBondContact O-CB 3.36Å; V368-K371 PolarHBondContact O-N 3.32Å; N369-K371 PolarHBondContact O-N 2.96Å; K371-F377 HydrophobicContact CG-CD1 4.16Å; K371-F377 HydrophobicContact CG-CE1 4.12Å
372N65.5Low77.8Confident143 Ų14354.3 Ų54.377%0.76529%0.292SS*.Hα-helixtrans-115.6-30.7-177.4-59.8-27.9000111.3N369 E370N369-N372 PolarHBondContact O-N 3.37Å; E370-N372 PolarHBondContact O-N 3.44Å; E370-N372 VanDerWaalsContact O-N 3.12Å
373T66.4Low77.6Confident114 Ų11457.7 Ų57.770%0.69931%0.31SS*.Hα-helixtrans-86.8-35.1-175.9-47.30000113.5N369 E370N369-T373 PolarHBondContact O-N 3Å; N369-T373 PolarHBondContact O-OG1 3.23Å; N369-T373 VanDerWaalsContact O-OG1 3.12Å; E370-T373 PolarHBondContact O-N 3.47Å
374V68.5Low77.6Confident25 Ų2558.9 Ų58.915%0.15233%0.326CS..SBendtrans-93.3112.7-177.8-179.50000109.8E370 G376 F377E370-V374 HydrophobicContact CB-CB 4.37Å; E370-V374 HydrophobicContact CB-CG2 3.79Å; E370-V374 HydrophobicContact CG-CG2 3.8Å; E370-V374 WeakPolarHBondContact O-CB 3.4Å; E370-V374 PolarHBondContact O-N 2.9Å; V374-G376 PolarHBondContact O-N 2.95Å; V374-F377 HydrophobicContact CB-CB 4.26Å; V374-F377 HydrophobicContact CG1-CB 4.49Å; V374-F377 PolarHBondContact O-N 3.48Å
375K66.9Low77.5Confident136 Ų13661.5 Ų61.559%0.59134%0.343SS*.THydrogen-bonded Turntrans-60122.7176.3-171.1-173.8174.8-161.70109.4E421K375-E421 IonicContact NZ-OE2 3.75Å; K375-E421 PolarHBondContact NZ-OE2 2.93Å
376G70.7Confident77.7Confident65 Ų6565.2 Ų65.267%0.6736%0.36SS*.THydrogen-bonded Turntrans87.96.9177.300000116.1V374 R378V374-G376 PolarHBondContact O-N 2.95Å; G376-R378 PolarHBondContact O-N 2.93Å
377F80Confident78.2Confident24 Ų2464.3 Ų64.311%0.10536%0.361CS..  trans-57.2121.5175-167-94.2000111.3V368 E370 K371 V374 E429 H431V368-F377 HydrophobicContact CG1-CE1 4.5Å; V368-F377 HydrophobicContact CG1-CZ 4.34Å; E370-F377 HydrophobicContact CB-CD2 4.19Å; E370-F377 HydrophobicContact CB-CE2 4.16Å; K371-F377 HydrophobicContact CG-CD1 4.16Å; K371-F377 HydrophobicContact CG-CE1 4.12Å; V374-F377 HydrophobicContact CB-CB 4.26Å; V374-F377 HydrophobicContact CG1-CB 4.49Å; V374-F377 PolarHBondContact O-N 3.48Å; F377-E429 WeakPolarHBondContact CA-OE1 3.46Å; F377-E429 HydrophobicContact CD2-CG 3.79Å; F377-E429 WeakPolarHBondContact CD2-OE1 3.37Å; F377-E429 HydrophobicContact CE2-CG 3.58Å; F377-E429 WeakPolarHBondContact CE2-OE1 3.35Å; F377-E429 VanDerWaalsContact CG-OE1 3.3Å; F377-E429 WeakPolarHBondContact CG-OE1 3.5Å; F377-E429 HydrophobicContact CZ-CG 4.38Å; F377-H431 AromaticContact CE1-CE1 3.58Å; F377-H431 AromaticContact CE1-ND1 3.67Å; F377-H431 AromaticContact CE2-CE1 3.97Å; F377-H431 AromaticContact CZ-CE1 3.35Å; F377-H431 WeakPolarHBondContact CZ-CE1 3.33Å; F377-H431 AromaticContact CZ-ND1 3.37Å; F377-H431 WeakPolarHBondContact CZ-ND1 3.4Å
378R84.2Confident79.1Confident20 Ų2063.5 Ų63.58%0.07535%0.353CS..  trans-72146.1-179.2-68.5179.8-66.3154.66109.6G376 F380 V426 E429 H431 V463G376-R378 PolarHBondContact O-N 2.93Å; R378-F380 HydrophobicContact CB-CD2 4.47Å; R378-F380 HydrophobicContact CB-CE2 3.57Å; R378-F380 HydrophobicContact CB-CZ 3.79Å; R378-V426 PolarHBondContact NH2-O 3.46Å; R378-E429 IonicContact CZ-OE2 2.97Å; R378-E429 PolarHBondContact N-OE1 3.19Å; R378-E429 IonicContact NE-OE2 2.69Å; R378-E429 PolarHBondContact NE-OE2 2.86Å; R378-E429 IonicContact NH2-OE2 3.74Å; R378-E429 PolarHBondContact NH2-OE2 3.23Å; R378-H431 PolarHBondContact O-CE1 3.3Å; R378-V463 PolarHBondContact NH1-O 3.05Å; R378-V463 VanDerWaalsContact NH1-O 3.15Å; R378-V463 PolarHBondContact NH2-O 3.45Å
379K83.7Confident79.9Confident66 Ų6665.5 Ų65.529%0.28737%0.365SS..  trans-115.5135178.4-63.8-177.8-177.5-178.70108.7Q412K379-Q412 HydrophobicContact CB-CB 4.29Å; K379-Q412 WeakPolarHBondContact O-CB 3.4Å; K379-Q412 PolarHBondContact O-N 3.36Å
380F88.2Confident80.8Confident8 Ų859.8 Ų59.84%0.03533%0.334CS..EExtended strand (participates in β ladder)trans-125.1142.2179.6-58.7-88.1000110.2T337 F364 R378 L409 K410 E411 H431 V463T337-F380 HydrophobicContact CG2-CD1 4.09Å; T337-F380 HydrophobicContact CG2-CE1 3.73Å; F364-F380 HydrophobicContact CD1-CB 3.83Å; F364-F380 HydrophobicContact CE1-CB 3.71Å; F364-F380 AromaticContact CE1-CD2 3.85Å; F364-F380 HydrophobicContact CE1-CD2 3.85Å; F364-F380 HydrophobicContact CE1-CG 4.16Å; R378-F380 HydrophobicContact CB-CD2 4.47Å; R378-F380 HydrophobicContact CB-CE2 3.57Å; R378-F380 HydrophobicContact CB-CZ 3.79Å; F380-L409 HydrophobicContact CB-CD2 4.35Å; F380-K410 WeakPolarHBondContact CA-O 3.42Å; F380-E411 HydrophobicContact CD1-CB 3.96Å; F380-E411 HydrophobicContact CD1-CG 4.32Å; F380-E411 HydrophobicContact CE1-CB 3.77Å; F380-E411 HydrophobicContact CE1-CG 3.87Å; F380-E411 HydrophobicContact CZ-CG 4.49Å; F380-H431 AromaticContact CD2-CE1 3.85Å; F380-H431 AromaticContact CE2-CE1 3.66Å; F380-H431 AromaticContact CE2-NE2 3.53Å; F380-V463 HydrophobicContact CD1-CG1 3.91Å; F380-V463 HydrophobicContact CD2-CB 4.45Å; F380-V463 HydrophobicContact CD2-CG1 4.38Å; F380-V463 HydrophobicContact CD2-CG2 4.34Å; F380-V463 HydrophobicContact CE1-CB 4.36Å; F380-V463 HydrophobicContact CE1-CG1 3.52Å; F380-V463 HydrophobicContact CE2-CB 3.96Å; F380-V463 HydrophobicContact CE2-CG1 4.01Å; F380-V463 HydrophobicContact CE2-CG2 4.28Å; F380-V463 HydrophobicContact CG-CG1 4.33Å; F380-V463 HydrophobicContact CZ-CB 3.91Å; F380-V463 HydrophobicContact CZ-CG1 3.58Å
381N88.4Confident81.8Confident80 Ų8060.6 Ų60.643%0.42834%0.34SS..EExtended strand (participates in β ladder)trans-105.5138.3172.7-67.3-34.7000109K410N381-K410 PolarHBondContact N-O 2.66Å; N381-K410 PolarHBondContact O-N 3.41Å
382I90.6Very high83Confident12 Ų1259.5 Ų59.56%0.06234%0.336CS..EExtended strand (participates in β ladder)trans-72.4141.1168.5-63.3172.7000107.8V362 F364 H386 L407 Q408 L409 L433V362-I382 HydrophobicContact CB-CD1 4.41Å; V362-I382 HydrophobicContact CG1-CD1 4.06Å; V362-I382 HydrophobicContact CG2-CD1 3.7Å; F364-I382 HydrophobicContact CB-CD1 3.88Å; F364-I382 HydrophobicContact CB-CG1 3.84Å; I382-H386 PolarHBondContact O-CE1 3.45Å; I382-H386 PolarHBondContact O-NE2 3.35Å; I382-L407 HydrophobicContact CG2-CD2 3.8Å; I382-Q408 CarbonylContact C-O 3.44Å; I382-Q408 WeakPolarHBondContact CA-O 3.39Å; I382-L409 HydrophobicContact CG1-CD2 3.94Å; I382-L433 HydrophobicContact CD1-CD2 3.66Å; I382-L433 HydrophobicContact CG1-CD2 4.49Å
383L88.8Confident83.9Confident74 Ų7455.1 Ų55.139%0.38731%0.311SS..EExtended strand (participates in β ladder)trans-120.1150.1166.7-66.2171.4000108.3Q408 K410L383-Q408 HydrophobicContact CB-CB 4.2Å; L383-Q408 PolarHBondContact N-O 3.25Å; L383-Q408 PolarHBondContact O-N 2.76Å; L383-K410 HydrophobicContact CD1-CB 3.63Å; L383-K410 HydrophobicContact CD1-CD 3.87Å; L383-K410 HydrophobicContact CD1-CG 4.38Å; L383-K410 HydrophobicContact CG-CB 4.24Å
384G88.6Confident83.9Confident48 Ų4859.7 Ų59.750%0.49532%0.324SS..EExtended strand (participates in β ladder)trans106.3-146-179.900000112.9H386 H406G384-H386 PolarHBondContact O-CD2 3.49Å; G384-H386 PolarHBondContact O-N 3.37Å; G384-H406 WeakPolarHBondContact CA-O 3.07Å
385T89Confident83.6Confident71 Ų7161 Ų6144%0.43634%0.335SS..  trans-84.398.3-174.3-51.90000111.4T387 F404 L407T385-T387 VanDerWaalsContact C-N 3.29Å; T385-T387 WeakPolarHBondContact CG2-O 3.45Å; T385-T387 PolarHBondContact O-N 2.64Å; T385-F404 WeakPolarHBondContact O-CD1 3.35Å; T385-L407 WeakPolarHBondContact O-CD2 3.35Å
386H88.4Confident83.3Confident78 Ų7861.5 Ų61.536%0.36135%0.349SS..  trans-74.4-14.9-178.8-63.4-88.7000114.9K361 V362 I382 G384K361-H386 CarbonylContact C-O 3.15Å; K361-H386 WeakPolarHBondContact CA-O 3.43Å; V362-H386 PolarHBondContact N-O 2.51Å; I382-H386 PolarHBondContact O-CE1 3.45Å; I382-H386 PolarHBondContact O-NE2 3.35Å; G384-H386 PolarHBondContact O-CD2 3.49Å; G384-H386 PolarHBondContact O-N 3.37Å
387T90.2Very high83.2Confident56 Ų5663 Ų6334%0.34434%0.342SS..EExtended strand (participates in β ladder)trans-133.7134.9-179.961.80000111.6K359 V360 K361 T385K359-T387 WeakPolarHBondContact CE-OG1 3.22Å; V360-T387 CarbonylContact O-C 3.47Å; V360-T387 WeakPolarHBondContact O-CA 3.31Å; K361-T387 HydrophobicContact CB-CG2 4.15Å; K361-T387 HydrophobicContact CG-CG2 4.14Å; T385-T387 VanDerWaalsContact C-N 3.29Å; T385-T387 WeakPolarHBondContact CG2-O 3.45Å; T385-T387 PolarHBondContact O-N 2.64Å
388K91.8Very high83.1Confident90 Ų9062.3 Ų62.339%0.39134%0.341SS..EExtended strand (participates in β ladder)trans-135.8138.2176.9-167.268.2174.3177.80109.4V360 A402 F404V360-K388 WeakPolarHBondContact CA-O 3.44Å; V360-K388 WeakPolarHBondContact CB-O 3.43Å; V360-K388 PolarHBondContact N-O 3.23Å; V360-K388 PolarHBondContact O-N 3.41Å; K388-A402 HydrophobicContact CB-CB 4.35Å; K388-A402 HydrophobicContact CG-CB 4.11Å; K388-F404 HydrophobicContact CB-CD1 4.06Å; K388-F404 HydrophobicContact CB-CD2 4.39Å; K388-F404 HydrophobicContact CB-CE1 3.55Å; K388-F404 HydrophobicContact CB-CE2 3.91Å; K388-F404 HydrophobicContact CB-CG 4.46Å; K388-F404 HydrophobicContact CB-CZ 3.46Å; K388-F404 VanDerWaalsContact CB-CZ 3.46Å
389V90.1Very high83.3Confident55 Ų5561.4 Ų61.433%0.33334%0.339SS..EExtended strand (participates in β ladder)trans-86.7136.9175.7178.90000108.5Y356 L358 K359Y356-V389 HydrophobicContact CD1-CG1 4.08Å; Y356-V389 WeakPolarHBondContact O-CG1 3.48Å; L358-V389 WeakPolarHBondContact O-CA 3.38Å; K359-V389 HydrophobicContact CB-CG2 4.39Å; K359-V389 HydrophobicContact CG-CG2 4.26Å
390M88.1Confident83.6Confident0 Ų058.3 Ų58.30%033%0.325CS..  trans-71.9135.5172.4-66.5-170.7176.900110.8F317 L347 Y356 L358 V360 L400 A401 A402F317-M390 HydrophobicContact CD2-CE 3.5Å; F317-M390 HydrophobicContact CE2-CE 3.16Å; F317-M390 HydrophobicContact CZ-CE 4.21Å; L347-M390 HydrophobicContact CB-SD 4.07Å; Y356-M390 PolarHBondContact N-O 2.93Å; L358-M390 HydrophobicContact CB-CB 4.19Å; L358-M390 HydrophobicContact CB-CG 4.15Å; L358-M390 HydrophobicContact CB-SD 4.1Å; L358-M390 HydrophobicContact CD1-SD 3.78Å; L358-M390 PolarHBondContact O-N 2.87Å; V360-M390 HydrophobicContact CG2-CE 3.61Å; V360-M390 HydrophobicContact CG2-CG 3.82Å; V360-M390 HydrophobicContact CG2-SD 4.47Å; M390-L400 HydrophobicContact CB-CD1 3.88Å; M390-L400 HydrophobicContact CB-CG 4.11Å; M390-L400 HydrophobicContact SD-CG 4.29Å; M390-A401 WeakPolarHBondContact CA-O 3.35Å; M390-A402 HydrophobicContact CG-CB 3.8Å
391N88.9Confident83.8Confident45 Ų4557.9 Ų57.924%0.24132%0.323CS..EExtended strand (participates in β ladder)trans-134.3158.1179.263.2-68000110.6Y356 E393 A401Y356-N391 HydrophobicContact CD1-CB 4.31Å; Y356-N391 HydrophobicContact CE1-CB 3.68Å; N391-E393 PolarHBondContact O-N 3.13Å; N391-A401 PolarHBondContact N-O 2.95Å; N391-A401 PolarHBondContact O-N 3.4Å; N391-A401 PolarHBondContact OD1-O 3.15Å
392M87.3Confident84Confident39 Ų3954.1 Ų54.119%0.19230%0.303CS..EExtended strand (participates in β ladder)trans-70.5124.5169.1-69-69.1-175.500109.7K350 N355 S399 L400K350-M392 HydrophobicContact CD-CE 4.46Å; K350-M392 HydrophobicContact CD-SD 4.41Å; K350-M392 HydrophobicContact CG-CE 3.61Å; K350-M392 HydrophobicContact CG-SD 3.97Å; N355-M392 HydrophobicContact CB-CG 4.49Å; N355-M392 PolarHBondContact OD1-N 3.29Å; M392-S399 WeakPolarHBondContact CA-O 3.2Å; M392-L400 HydrophobicContact CE-CB 4.44Å; M392-L400 HydrophobicContact SD-CB 4.21Å
393E82.4Confident84.1Confident52 Ų5254.9 Ų54.924%0.24331%0.306CS..EExtended strand (participates in β ladder)trans-96.2139.7170-65179.4176.800109.9K344 N391 S395 G398 S399K344-E393 VanDerWaalsContact CE-OE1 3.27Å; K344-E393 WeakPolarHBondContact CE-OE1 3.46Å; K344-E393 WeakPolarHBondContact CE-OE2 3.44Å; K344-E393 IonicContact NZ-OE1 2.69Å; K344-E393 IonicContact NZ-OE2 2.64Å; K344-E393 PolarHBondContact NZ-OE2 3.36Å; N391-E393 PolarHBondContact O-N 3.13Å; E393-S395 VanDerWaalsContact C-N 3.3Å; E393-S395 PolarHBondContact O-N 3.32Å; E393-G398 VanDerWaalsContact O-CA 3.24Å; E393-G398 WeakPolarHBondContact O-CA 3.16Å; E393-S399 PolarHBondContact N-O 2.84Å; E393-S399 PolarHBondContact O-N 3.48Å
394E67.4Low84.4Confident209 Ų20951.6 Ų51.698%0.97729%0.289SS*.  trans-76.276.2175.3-68.4178.2179.500110.6
395S63.1Low84.5Confident54 Ų5456.5 Ų56.538%0.37829%0.292SS..SBendtrans-99.9170.7162.258.20000110E393 N397 G398E393-S395 VanDerWaalsContact C-N 3.3Å; E393-S395 PolarHBondContact O-N 3.32Å; S395-N397 PolarHBondContact O-N 2.85Å; S395-G398 PolarHBondContact O-N 2.97Å; S395-G398 VanDerWaalsContact OG-CA 3.24Å; S395-G398 WeakPolarHBondContact OG-CA 3.36Å; S395-G398 PolarHBondContact OG-N 3.42Å; S395-G398 VanDerWaalsContact OG-N 3.12Å
396T60Low84.5Confident146 Ų14658.3 Ų58.390%0.89630%0.296SS*.THydrogen-bonded Turntrans-48.9-36.3-178.9-36.60000113.2
397N67.7Low84.8Confident95 Ų9554.7 Ų54.751%0.50828%0.279SS..THydrogen-bonded Turntrans-108.9-5.4176.4-67.1-34.5000113.7D257 K350 S395D257-N397 PolarHBondContact OD2-ND2 3.03Å; D257-N397 VanDerWaalsContact OD2-ND2 3.09Å; K350-N397 PolarHBondContact NZ-O 3.28Å; S395-N397 PolarHBondContact O-N 2.85Å
398G78.8Confident84.9Confident10 Ų1054.8 Ų54.810%0.10328%0.275CS..  trans61.3139.7-171.700000114.5Q260 K350 E393 S395Q260-G398 PolarHBondContact NE2-O 3.29Å; K350-G398 WeakPolarHBondContact CD-O 3.42Å; K350-G398 WeakPolarHBondContact CE-O 3.4Å; K350-G398 PolarHBondContact NZ-O 3.09Å; E393-G398 VanDerWaalsContact O-CA 3.24Å; E393-G398 WeakPolarHBondContact O-CA 3.16Å; S395-G398 PolarHBondContact O-N 2.97Å; S395-G398 VanDerWaalsContact OG-CA 3.24Å; S395-G398 WeakPolarHBondContact OG-CA 3.36Å; S395-G398 PolarHBondContact OG-N 3.42Å; S395-G398 VanDerWaalsContact OG-N 3.12Å
399S87.7Confident85Confident2 Ų250.6 Ų50.61%0.01426%0.257CS..EExtended strand (participates in β ladder)trans-133.5139.7-179.857.40000113.2M392 E393 A401M392-S399 WeakPolarHBondContact CA-O 3.2Å; E393-S399 PolarHBondContact N-O 2.84Å; E393-S399 PolarHBondContact O-N 3.48Å; S399-A401 PolarHBondContact O-N 2.84Å
400L90.4Very high85Confident0 Ų054.3 Ų54.30%027%0.269CS..EExtended strand (participates in β ladder)trans-84.9102.2170.7-174.162.7000108.8L347 L354 L358 M390 M392L347-L400 HydrophobicContact CB-CB 4.48Å; L347-L400 HydrophobicContact CB-CD2 4.2Å; L347-L400 HydrophobicContact CB-CG 4.41Å; L347-L400 HydrophobicContact CD2-CD2 3.77Å; L347-L400 PolarHBondContact N-O 3.3Å; L354-L400 HydrophobicContact CB-CD2 3.76Å; L354-L400 HydrophobicContact CD1-CD2 4.46Å; L358-L400 HydrophobicContact CD1-CD2 4.24Å; M390-L400 HydrophobicContact CB-CD1 3.88Å; M390-L400 HydrophobicContact CB-CG 4.11Å; M390-L400 HydrophobicContact SD-CG 4.29Å; M392-L400 HydrophobicContact CE-CB 4.44Å; M392-L400 HydrophobicContact SD-CB 4.21Å
401A92Very high85Confident0 Ų056.3 Ų56.30%028%0.278CS..EExtended strand (participates in β ladder)trans-138.5159.6-171.500000112.1L345 R346 M390 N391 S399L345-A401 CarbonylContact O-C 3.4Å; L345-A401 WeakPolarHBondContact O-CA 3.48Å; L345-A401 WeakPolarHBondContact O-CB 3.25Å; R346-A401 HydrophobicContact CB-CB 4.49Å; M390-A401 WeakPolarHBondContact CA-O 3.35Å; N391-A401 PolarHBondContact N-O 2.95Å; N391-A401 PolarHBondContact O-N 3.4Å; N391-A401 PolarHBondContact OD1-O 3.15Å; S399-A401 PolarHBondContact O-N 2.84Å
402A92.4Very high84.8Confident0 Ų058 Ų580%029%0.285CS..EExtended strand (participates in β ladder)trans-131115.4170.300000109.5L345 V360 K388 M390 F404L345-A402 PolarHBondContact N-O 3.32Å; L345-A402 PolarHBondContact O-N 2.77Å; V360-A402 HydrophobicContact CG2-CB 4.24Å; K388-A402 HydrophobicContact CB-CB 4.35Å; K388-A402 HydrophobicContact CG-CB 4.11Å; M390-A402 HydrophobicContact CG-CB 3.8Å; A402-F404 HydrophobicContact CB-CE2 4.44Å
403E94Very high84.3Confident28 Ų2863.9 Ų63.913%0.13131%0.309CS..EExtended strand (participates in β ladder)trans-100.8124175.9-165.9178.9-149.600111.2R321 K344 R405R321-E403 IonicContact NH1-OE1 3.8Å; R321-E403 PolarHBondContact NH1-OE1 2.87Å; K344-E403 HydrophobicContact CB-CG 4.26Å; K344-E403 HydrophobicContact CG-CB 4.11Å; K344-E403 HydrophobicContact CG-CG 4.26Å; E403-R405 HydrophobicContact CG-CG 4.02Å; E403-R405 IonicContact OE1-NE 2.79Å; E403-R405 IonicContact OE2-CZ 3.55Å; E403-R405 IonicContact OE2-NE 3.7Å; E403-R405 PolarHBondContact OE2-NE 3.1Å; E403-R405 IonicContact OE2-NH2 3.09Å; E403-R405 PolarHBondContact OE2-NH2 3.13Å
404F93.9Very high83.2Confident5 Ų566.7 Ų66.72%0.02233%0.326CS..EExtended strand (participates in β ladder)trans-99.1111171.7-66.4-98.3000108.4T342 V343 L345 V360 V362 T385 K388 A402 L407 F435T342-F404 CarbonylContact C-O 3.25Å; T342-F404 WeakPolarHBondContact CA-O 3.39Å; V343-F404 PolarHBondContact N-O 3.32Å; V343-F404 PolarHBondContact O-N 3.37Å; L345-F404 HydrophobicContact CD1-CE2 3.86Å; V360-F404 HydrophobicContact CB-CE2 4.44Å; V360-F404 HydrophobicContact CB-CZ 4.18Å; V360-F404 HydrophobicContact CG1-CE2 4.34Å; V360-F404 HydrophobicContact CG1-CZ 4.22Å; V362-F404 HydrophobicContact CB-CE1 4.3Å; V362-F404 HydrophobicContact CB-CZ 4.48Å; V362-F404 HydrophobicContact CG1-CD1 4.27Å; V362-F404 HydrophobicContact CG1-CE1 4.01Å; T385-F404 WeakPolarHBondContact O-CD1 3.35Å; K388-F404 HydrophobicContact CB-CD1 4.06Å; K388-F404 HydrophobicContact CB-CD2 4.39Å; K388-F404 HydrophobicContact CB-CE1 3.55Å; K388-F404 HydrophobicContact CB-CE2 3.91Å; K388-F404 HydrophobicContact CB-CG 4.46Å; K388-F404 HydrophobicContact CB-CZ 3.46Å; K388-F404 VanDerWaalsContact CB-CZ 3.46Å; A402-F404 HydrophobicContact CB-CE2 4.44Å; F404-L407 HydrophobicContact CB-CD1 3.62Å; F404-L407 HydrophobicContact CB-CD2 4.42Å; F404-L407 HydrophobicContact CB-CG 3.87Å; F404-L407 HydrophobicContact CD1-CD1 4.38Å; F404-L407 HydrophobicContact CD1-CD2 4.17Å; F404-L407 HydrophobicContact CG-CD1 4.19Å; F404-F435 HydrophobicContact CE2-CD1 4.48Å
405R90.6Very high81.9Confident151 Ų15162.3 Ų62.357%0.5733%0.326SS*.EExtended strand (participates in β ladder)trans-100.7-28.4-178-64-175.1-173.8173.82.2115T342 E403T342-R405 HydrophobicContact CG2-CB 4.34Å; E403-R405 HydrophobicContact CG-CG 4.02Å; E403-R405 IonicContact OE1-NE 2.79Å; E403-R405 IonicContact OE2-CZ 3.55Å; E403-R405 IonicContact OE2-NE 3.7Å; E403-R405 PolarHBondContact OE2-NE 3.1Å; E403-R405 IonicContact OE2-NH2 3.09Å; E403-R405 PolarHBondContact OE2-NH2 3.13Å
406H89.7Confident81.1Confident110 Ų11062.6 Ų62.651%0.50934%0.337SS..EExtended strand (participates in β ladder)trans-111.645.3-169.9-55.6-57.8000111.7Q340 G384Q340-H406 PolarHBondContact OE1-ND1 3.41Å; G384-H406 WeakPolarHBondContact CA-O 3.07Å
407L93.6Very high80.2Confident1 Ų163.6 Ų63.61%0.00534%0.337CS..EExtended strand (participates in β ladder)trans-90.1138.6173.7-61.3178.5000109.8Q340 F341 V343 V362 I382 T385 F404Q340-L407 CarbonylContact C-O 3.47Å; Q340-L407 VanDerWaalsContact CA-O 3.29Å; Q340-L407 WeakPolarHBondContact CA-O 3.4Å; F341-L407 HydrophobicContact CD1-CB 4.02Å; F341-L407 WeakPolarHBondContact CD1-O 3.49Å; F341-L407 HydrophobicContact CD2-CB 4.17Å; F341-L407 HydrophobicContact CD2-CD1 4.48Å; F341-L407 HydrophobicContact CE1-CB 3.54Å; F341-L407 HydrophobicContact CE2-CB 3.72Å; F341-L407 HydrophobicContact CE2-CD1 3.7Å; F341-L407 HydrophobicContact CE2-CG 4.37Å; F341-L407 HydrophobicContact CG-CB 4.32Å; F341-L407 HydrophobicContact CZ-CB 3.38Å; F341-L407 HydrophobicContact CZ-CD1 3.93Å; F341-L407 HydrophobicContact CZ-CG 4.3Å; F341-L407 PolarHBondContact N-O 3.41Å; F341-L407 PolarHBondContact O-N 2.84Å; V343-L407 HydrophobicContact CG2-CD1 4.31Å; V362-L407 HydrophobicContact CG1-CD1 4.49Å; V362-L407 HydrophobicContact CG1-CD2 3.97Å; I382-L407 HydrophobicContact CG2-CD2 3.8Å; T385-L407 WeakPolarHBondContact O-CD2 3.35Å; F404-L407 HydrophobicContact CB-CD1 3.62Å; F404-L407 HydrophobicContact CB-CD2 4.42Å; F404-L407 HydrophobicContact CB-CG 3.87Å; F404-L407 HydrophobicContact CD1-CD1 4.38Å; F404-L407 HydrophobicContact CD1-CD2 4.17Å; F404-L407 HydrophobicContact CG-CD1 4.19Å
408Q93.1Very high79.4Confident58 Ų5866 Ų6627%0.27134%0.339SS..EExtended strand (participates in β ladder)trans-135.1150.4173.2-69.2-177.8-29.700109.8G338 Q340 I382 L383G338-Q408 PolarHBondContact O-NE2 3.02Å; Q340-Q408 HydrophobicContact CB-CG 4.32Å; Q340-Q408 HydrophobicContact CG-CG 3.64Å; I382-Q408 CarbonylContact C-O 3.44Å; I382-Q408 WeakPolarHBondContact CA-O 3.39Å; L383-Q408 HydrophobicContact CB-CB 4.2Å; L383-Q408 PolarHBondContact N-O 3.25Å; L383-Q408 PolarHBondContact O-N 2.76Å
409L93.1Very high77.8Confident2 Ų270 Ų701%0.0136%0.361CS..EExtended strand (participates in β ladder)trans-105.5134.2172.7-66.7177.6000110.8L335 T337 G338 F341 F364 F380 I382 V463L335-L409 HydrophobicContact CB-CD1 4.11Å; L335-L409 HydrophobicContact CD1-CD1 3.85Å; T337-L409 WeakPolarHBondContact CA-O 3.4Å; G338-L409 PolarHBondContact N-O 3.45Å; F341-L409 HydrophobicContact CE1-CD2 4.38Å; F341-L409 HydrophobicContact CE1-CG 3.87Å; F341-L409 HydrophobicContact CZ-CG 4.39Å; F364-L409 HydrophobicContact CD2-CD2 3.8Å; F364-L409 HydrophobicContact CE2-CD1 3.81Å; F364-L409 HydrophobicContact CE2-CD2 3.88Å; F364-L409 HydrophobicContact CG-CD2 4.13Å; F364-L409 HydrophobicContact CZ-CD1 3.84Å; F364-L409 HydrophobicContact CZ-CD2 4.27Å; F380-L409 HydrophobicContact CB-CD2 4.35Å; I382-L409 HydrophobicContact CG1-CD2 3.94Å; L409-V463 HydrophobicContact CD1-CG1 4.17Å; L409-V463 HydrophobicContact CD1-CG2 3.75Å
410K90.8Very high75.8Confident134 Ų13477.9 Ų77.958%0.58340%0.404SS*.EExtended strand (participates in β ladder)trans-123.5129.8170.3-175173.2-180179.90109.9F380 N381 L383 Q412F380-K410 WeakPolarHBondContact CA-O 3.42Å; N381-K410 PolarHBondContact N-O 2.66Å; N381-K410 PolarHBondContact O-N 3.41Å; L383-K410 HydrophobicContact CD1-CB 3.63Å; L383-K410 HydrophobicContact CD1-CD 3.87Å; L383-K410 HydrophobicContact CD1-CG 4.38Å; L383-K410 HydrophobicContact CG-CB 4.24Å; K410-Q412 PolarHBondContact O-N 2.91Å
411E88.8Confident73.9Confident42 Ų4283.4 Ų83.420%0.19643%0.429CS..EExtended strand (participates in β ladder)trans-66129177.1-169.6179.7-161.900110.8F380 K413 R418F380-E411 HydrophobicContact CD1-CB 3.96Å; F380-E411 HydrophobicContact CD1-CG 4.32Å; F380-E411 HydrophobicContact CE1-CB 3.77Å; F380-E411 HydrophobicContact CE1-CG 3.87Å; F380-E411 HydrophobicContact CZ-CG 4.49Å; E411-K413 PolarHBondContact O-N 3.23Å; E411-R418 IonicContact OE1-CZ 2.7Å; E411-R418 IonicContact OE1-NH1 2.83Å; E411-R418 PolarHBondContact OE1-NH1 2.95Å; E411-R418 IonicContact OE1-NH2 3.77Å; E411-R418 PolarHBondContact OE1-NH2 3.48Å; E411-R418 IonicContact OE2-NH1 3.2Å
412Q84.5Confident72.3Confident81 Ų8185.2 Ų85.238%0.37945%0.447SS..  trans-86.3103.3171.7-173.3176.57.700108.7K379 K410K379-Q412 HydrophobicContact CB-CB 4.29Å; K379-Q412 WeakPolarHBondContact O-CB 3.4Å; K379-Q412 PolarHBondContact O-N 3.36Å; K410-Q412 PolarHBondContact O-N 2.91Å
413K75.7Confident70.7Confident161 Ų16189.6 Ų89.670%0.748%0.476SS*.  trans-83.7116.1175.3-62.6-175.3-179.6-176.80109.2E411E411-K413 PolarHBondContact O-N 3.23Å
414N59.6Low69.7Low111 Ų11189.8 Ų89.859%0.59448%0.478SS*.  trans-81.6142.2167.5-73.3-5.2000109.6G416N414-G416 PolarHBondContact O-N 3.07Å; N414-G416 VanDerWaalsContact O-N 3.11Å
415A40.6Very low68.9Low118 Ų11893.8 Ų93.898%0.97550%0.499SS*.SBendtrans-71.3101.4177.100000110.2
416G46.5Very low68.3Low59 Ų5989.2 Ų89.261%0.60849%0.487SS*.SBendtrans170.8140.3176.200000111N414 R418N414-G416 PolarHBondContact O-N 3.07Å; N414-G416 VanDerWaalsContact O-N 3.11Å; G416-R418 PolarHBondContact O-N 2.6Å; G416-R418 VanDerWaalsContact O-N 3.13Å
417N40.5Very low67.9Low168 Ų16884.5 Ų84.590%0.89847%0.466SS*.  trans-54.2115.6-178.1-86.4-13.1000111.3T419N417-T419 PolarHBondContact O-N 3.39Å
418R51.3Low67.5Low145 Ų14584.5 Ų84.555%0.54747%0.466SS..  trans-73.6104.3168.9-74-177.5168.4-178.3-4.4108.5E411 G416E411-R418 IonicContact OE1-CZ 2.7Å; E411-R418 IonicContact OE1-NH1 2.83Å; E411-R418 PolarHBondContact OE1-NH1 2.95Å; E411-R418 IonicContact OE1-NH2 3.77Å; E411-R418 PolarHBondContact OE1-NH2 3.48Å; E411-R418 IonicContact OE2-NH1 3.2Å; G416-R418 PolarHBondContact O-N 2.6Å; G416-R418 VanDerWaalsContact O-N 3.13Å
419T44.7Very low67.2Low94 Ų9482.4 Ų82.458%0.57746%0.456SS*.  trans-77132.8151.251.10000107.3N417 E421N417-T419 PolarHBondContact O-N 3.39Å; T419-E421 PolarHBondContact O-N 3.27Å
420N46.7Very low67.1Low168 Ų16882.4 Ų82.490%0.89846%0.456SS*.SBendtrans-7057.3174.5-75.7-27000110.7
421E49.8Very low67.1Low116 Ų11676 Ų7654%0.54243%0.428SS..  trans-113.838.9-176-69.9-174.7-179.100112.2K375 T419K375-E421 IonicContact NZ-OE2 3.75Å; K375-E421 PolarHBondContact NZ-OE2 2.93Å; T419-E421 PolarHBondContact O-N 3.27Å
422G57.5Low67.2Low37 Ų3774.3 Ų74.338%0.38142%0.421SS..  trans-86.2144.1163.700000109.7L424G422-L424 PolarHBondContact O-N 3.14Å
423P60.3Low67.5Low92 Ų9270.4 Ų70.460%0.59740%0.403SS*.SBendtrans-68.2-20175.627.7-33.7000112.9L494P423-L494 HydrophobicContact CB-CD2 4.4Å; P423-L494 HydrophobicContact CG-CD2 4.06Å
424L72.1Confident68.3Low33 Ų3362.8 Ų62.817%0.17337%0.37CS..SBendtrans-107.5141.3-178.7-61.8176.8000111.1G422 E428 F493 L494G422-L424 PolarHBondContact O-N 3.14Å; L424-E428 HydrophobicContact CB-CB 4.44Å; L424-E428 HydrophobicContact CD2-CB 4.41Å; L424-F493 HydrophobicContact CD2-CB 3.78Å; L424-F493 WeakPolarHBondContact CD2-O 3.41Å; L424-L494 HydrophobicContact CD1-CD2 4.08Å; L424-L494 HydrophobicContact CD1-CG 4.45Å; L424-L494 HydrophobicContact CD2-CD2 3.97Å; L424-L494 HydrophobicContact CG-CD2 3.93Å
425I77.4Confident69.7Low89 Ų8957.5 Ų57.546%0.45634%0.341SS..  trans-77.4160.8170.961.3174.2000110.8T427 E428 E429I425-T427 VanDerWaalsContact CD1-OG1 3.28Å; I425-T427 WeakPolarHBondContact CD1-OG1 3.35Å; I425-T427 PolarHBondContact O-N 3.2Å; I425-E428 HydrophobicContact CD1-CG 3.98Å; I425-E428 HydrophobicContact CG1-CB 3.93Å; I425-E428 VanDerWaalsContact CG1-CD 3.45Å; I425-E428 HydrophobicContact CG1-CG 3.52Å; I425-E428 PolarHBondContact O-N 3.17Å; I425-E429 PolarHBondContact O-N 2.88Å
426V77.2Confident72Confident54 Ų5454 Ų5433%0.32731%0.305SS..THydrogen-bonded Turntrans-49-33.8-179.1164.10000114.2R378R378-V426 PolarHBondContact NH2-O 3.46Å
427T81.7Confident73.9Confident11 Ų1151.6 Ų51.67%0.06728%0.278CS..THydrogen-bonded Turntrans-87.5-9.4-17752.80000113.7I425 V462 Q469 S476I425-T427 VanDerWaalsContact CD1-OG1 3.28Å; I425-T427 WeakPolarHBondContact CD1-OG1 3.35Å; I425-T427 PolarHBondContact O-N 3.2Å; T427-V462 WeakPolarHBondContact O-CG1 2.92Å; T427-Q469 HydrophobicContact CG2-CB 4.11Å; T427-S476 VanDerWaalsContact O-CB 3.3Å; T427-S476 WeakPolarHBondContact O-CB 3.37Å; T427-S476 PolarHBondContact O-OG 3.02Å
428E85.3Confident75.7Confident2 Ų246.6 Ų46.61%0.00925%0.25CC..THydrogen-bonded Turntrans-104.6-8.1-179.8-69.3178.1172.600112.7L424 I425 L430 F493 W545 K550L424-E428 HydrophobicContact CB-CB 4.44Å; L424-E428 HydrophobicContact CD2-CB 4.41Å; I425-E428 HydrophobicContact CD1-CG 3.98Å; I425-E428 HydrophobicContact CG1-CB 3.93Å; I425-E428 VanDerWaalsContact CG1-CD 3.45Å; I425-E428 HydrophobicContact CG1-CG 3.52Å; I425-E428 PolarHBondContact O-N 3.17Å; E428-L430 PolarHBondContact O-N 2.97Å; E428-F493 HydrophobicContact CB-CB 3.87Å; E428-F493 HydrophobicContact CB-CD1 4.49Å; E428-F493 HydrophobicContact CB-CD2 4.09Å; E428-F493 HydrophobicContact CB-CG 3.89Å; E428-F493 HydrophobicContact CG-CB 4.36Å; E428-F493 HydrophobicContact CG-CD1 4.2Å; E428-F493 HydrophobicContact CG-CG 4.1Å; E428-F493 WeakPolarHBondContact O-CD2 3.13Å; E428-W545 HydrophobicContact CG-CZ2 4.23Å; E428-W545 WeakPolarHBondContact OE1-CZ2 3.49Å; E428-W545 PolarHBondContact OE1-NE1 3.34Å; E428-K550 VanDerWaalsContact CD-NZ 3.31Å; E428-K550 WeakPolarHBondContact OE1-CE 3.1Å; E428-K550 IonicContact OE1-NZ 3.98Å; E428-K550 PolarHBondContact OE1-NZ 3.37Å; E428-K550 IonicContact OE2-NZ 2.95Å; E428-K550 PolarHBondContact OE2-NZ 2.86Å
429E87.3Confident76.7Confident14 Ų1440.4 Ų40.47%0.06523%0.227CC..  trans-76.2117.4172.8-171-175.2-172.100110F377 R378 I425 H431F377-E429 WeakPolarHBondContact CA-OE1 3.46Å; F377-E429 HydrophobicContact CD2-CG 3.79Å; F377-E429 WeakPolarHBondContact CD2-OE1 3.37Å; F377-E429 HydrophobicContact CE2-CG 3.58Å; F377-E429 WeakPolarHBondContact CE2-OE1 3.35Å; F377-E429 VanDerWaalsContact CG-OE1 3.3Å; F377-E429 WeakPolarHBondContact CG-OE1 3.5Å; F377-E429 HydrophobicContact CZ-CG 4.38Å; R378-E429 IonicContact CZ-OE2 2.97Å; R378-E429 PolarHBondContact N-OE1 3.19Å; R378-E429 IonicContact NE-OE2 2.69Å; R378-E429 PolarHBondContact NE-OE2 2.86Å; R378-E429 IonicContact NH2-OE2 3.74Å; R378-E429 PolarHBondContact NH2-OE2 3.23Å; I425-E429 PolarHBondContact O-N 2.88Å; E429-H431 WeakPolarHBondContact CG-NE2 3.28Å; E429-H431 IonicContact OE1-CE1 2.83Å; E429-H431 PolarHBondContact OE1-CE1 3.49Å; E429-H431 VanDerWaalsContact OE1-CE1 3.26Å; E429-H431 IonicContact OE1-NE2 3.74Å; E429-H431 PolarHBondContact OE1-NE2 3.16Å; E429-H431 IonicContact OE2-NE2 2.75Å
430L90.7Very high77.8Confident1 Ų139.5 Ų39.51%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-99136.8-179.7-63.9-179.5000110.9E428 P460 V462 Y480 L490 F492 F493E428-L430 PolarHBondContact O-N 2.97Å; L430-P460 HydrophobicContact CB-CB 4.04Å; L430-P460 HydrophobicContact CD1-CB 4.05Å; L430-P460 HydrophobicContact CD2-CB 4.18Å; L430-P460 HydrophobicContact CG-CB 4.32Å; L430-V462 HydrophobicContact CD2-CG2 3.74Å; L430-Y480 HydrophobicContact CD1-CD2 3.57Å; L430-Y480 HydrophobicContact CD1-CE2 3.87Å; L430-Y480 HydrophobicContact CD1-CG 4.3Å; L430-L490 HydrophobicContact CB-CB 4.29Å; L430-L490 HydrophobicContact CB-CD2 3.91Å; L430-F492 HydrophobicContact CD1-CB 4.1Å; L430-F493 HydrophobicContact CD1-CD2 4.09Å; L430-F493 HydrophobicContact CD1-CE2 4.01Å; L430-F493 HydrophobicContact CD2-CE2 4.12Å; L430-F493 HydrophobicContact CG-CD2 4.12Å; L430-F493 HydrophobicContact CG-CE2 4.13Å
431H90.6Very high78.6Confident0 Ų034.3 Ų34.30%020%0.195CC..EExtended strand (participates in β ladder)trans-123.8166.8177.5-62.4-84.8000110.4F364 D365 F377 R378 F380 E429 P460 V461 V463F364-H431 HydrophobicContact CE1-CB 3.62Å; F364-H431 AromaticContact CE1-CG 3.72Å; F364-H431 AromaticContact CE1-ND1 3.7Å; F364-H431 HydrophobicContact CE2-CB 4.18Å; F364-H431 HydrophobicContact CZ-CB 3.3Å; F364-H431 AromaticContact CZ-CG 3.78Å; D365-H431 VanDerWaalsContact OD1-CA 3.23Å; D365-H431 WeakPolarHBondContact OD1-CA 3.46Å; D365-H431 VanDerWaalsContact OD1-CB 3.24Å; D365-H431 WeakPolarHBondContact OD1-CB 3.33Å; D365-H431 IonicContact OD1-CG 2.82Å; D365-H431 IonicContact OD1-ND1 2.75Å; D365-H431 IonicContact OD2-CE1 3.92Å; D365-H431 IonicContact OD2-CG 2.7Å; D365-H431 IonicContact OD2-ND1 3.18Å; D365-H431 PolarHBondContact OD2-ND1 3.46Å; F377-H431 AromaticContact CE1-CE1 3.58Å; F377-H431 AromaticContact CE1-ND1 3.67Å; F377-H431 AromaticContact CE2-CE1 3.97Å; F377-H431 AromaticContact CZ-CE1 3.35Å; F377-H431 WeakPolarHBondContact CZ-CE1 3.33Å; F377-H431 AromaticContact CZ-ND1 3.37Å; F377-H431 WeakPolarHBondContact CZ-ND1 3.4Å; R378-H431 PolarHBondContact O-CE1 3.3Å; F380-H431 AromaticContact CD2-CE1 3.85Å; F380-H431 AromaticContact CE2-CE1 3.66Å; F380-H431 AromaticContact CE2-NE2 3.53Å; E429-H431 WeakPolarHBondContact CG-NE2 3.28Å; E429-H431 IonicContact OE1-CE1 2.83Å; E429-H431 PolarHBondContact OE1-CE1 3.49Å; E429-H431 VanDerWaalsContact OE1-CE1 3.26Å; E429-H431 IonicContact OE1-NE2 3.74Å; E429-H431 PolarHBondContact OE1-NE2 3.16Å; E429-H431 IonicContact OE2-NE2 2.75Å; H431-P460 CarbonylContact O-C 3.22Å; H431-P460 VanDerWaalsContact O-CA 3.28Å; H431-P460 WeakPolarHBondContact O-CA 3.33Å; H431-V461 PolarHBondContact N-O 3.01Å; H431-V461 PolarHBondContact O-N 2.77Å; H431-V463 HydrophobicContact CB-CG2 4.48Å
432S90.9Very high78.7Confident6 Ų635.2 Ų35.24%0.04221%0.211CC..  trans-138.3146.6176.560.10000112.9D365D365-S432 PolarHBondContact N-O 2.87Å; D365-S432 PolarHBondContact OD1-N 2.86Å
433L91.5Very high78.7Confident0 Ų035.2 Ų35.20%021%0.211CC..EExtended strand (participates in β ladder)trans-95.7124.3169.7-76.9154.5000109.1P323 F341 V343 V362 F364 I382 F435 T457 S458P323-L433 HydrophobicContact CB-CD1 3.91Å; P323-L433 HydrophobicContact CG-CD1 3.44Å; P323-L433 VanDerWaalsContact CG-CD1 3.44Å; F341-L433 HydrophobicContact CE2-CD1 3.76Å; F341-L433 HydrophobicContact CZ-CD1 4.23Å; V343-L433 HydrophobicContact CG2-CD1 4.19Å; V362-L433 HydrophobicContact CG2-CD2 3.64Å; F364-L433 HydrophobicContact CD2-CD2 3.63Å; F364-L433 HydrophobicContact CD2-CG 3.86Å; F364-L433 HydrophobicContact CE2-CD2 4.31Å; F364-L433 HydrophobicContact CE2-CG 4.13Å; I382-L433 HydrophobicContact CD1-CD2 3.66Å; I382-L433 HydrophobicContact CG1-CD2 4.49Å; L433-F435 HydrophobicContact CB-CE2 3.82Å; L433-F435 HydrophobicContact CB-CZ 3.66Å; L433-T457 CarbonylContact O-C 3.53Å; L433-T457 VanDerWaalsContact O-CA 3.22Å; L433-T457 WeakPolarHBondContact O-CA 3.27Å; L433-S458 PolarHBondContact N-OG 3.3Å; L433-S458 PolarHBondContact O-N 2.69Å
434S91.2Very high78.4Confident0 Ų033 Ų330%019%0.193CC..EExtended strand (participates in β ladder)trans-105.8127.2176.9-63.10000109.7S363S363-S434 PolarHBondContact N-O 3.14Å; S363-S434 PolarHBondContact O-N 2.78Å; S363-S434 WeakPolarHBondContact OG-CB 3.28Å; S363-S434 PolarHBondContact OG-O 3.35Å; S363-S434 VanDerWaalsContact OG-O 3.09Å
435F90.8Very high76.6Confident0 Ų036.3 Ų36.30%022%0.215CC..EExtended strand (participates in β ladder)trans-112.7128.9179.8-53.7-82000109.5F317 V319 V343 L345 V360 K361 V362 F404 L433 Q455 T456F317-F435 HydrophobicContact CE1-CB 4.16Å; F317-F435 HydrophobicContact CZ-CB 3.89Å; V319-F435 HydrophobicContact CG2-CD2 4.17Å; V319-F435 HydrophobicContact CG2-CE2 4.05Å; V343-F435 HydrophobicContact CB-CZ 4.24Å; V343-F435 HydrophobicContact CG1-CE1 4.17Å; V343-F435 HydrophobicContact CG1-CE2 4.26Å; V343-F435 HydrophobicContact CG1-CZ 3.6Å; V343-F435 HydrophobicContact CG2-CZ 4.27Å; L345-F435 HydrophobicContact CD1-CB 3.73Å; L345-F435 HydrophobicContact CD1-CD1 3.53Å; L345-F435 HydrophobicContact CD1-CD2 4.41Å; L345-F435 HydrophobicContact CD1-CE1 4.24Å; L345-F435 HydrophobicContact CD1-CG 3.62Å; L345-F435 HydrophobicContact CD2-CB 4.28Å; L345-F435 HydrophobicContact CD2-CD1 4.12Å; L345-F435 HydrophobicContact CD2-CD2 3.67Å; L345-F435 HydrophobicContact CD2-CE1 4.38Å; L345-F435 HydrophobicContact CD2-CE2 4Å; L345-F435 HydrophobicContact CD2-CG 3.74Å; L345-F435 HydrophobicContact CD2-CZ 4.36Å; L345-F435 HydrophobicContact CG-CD1 4.23Å; L345-F435 HydrophobicContact CG-CG 4.24Å; V360-F435 HydrophobicContact CG1-CB 4.07Å; K361-F435 WeakPolarHBondContact O-CA 3.39Å; V362-F435 HydrophobicContact CB-CD1 3.92Å; V362-F435 HydrophobicContact CB-CE1 3.93Å; V362-F435 HydrophobicContact CG2-CD1 3.74Å; V362-F435 HydrophobicContact CG2-CE1 3.37Å; V362-F435 HydrophobicContact CG2-CZ 4.15Å; F404-F435 HydrophobicContact CE2-CD1 4.48Å; L433-F435 HydrophobicContact CB-CE2 3.82Å; L433-F435 HydrophobicContact CB-CZ 3.66Å; F435-Q455 WeakPolarHBondContact O-CA 3.33Å; F435-T456 HydrophobicContact CB-CG2 4.11Å; F435-T456 HydrophobicContact CD2-CG2 4.17Å; F435-T456 PolarHBondContact N-O 3.16Å; F435-T456 PolarHBondContact O-N 3.34Å; F435-T456 VanDerWaalsContact O-N 3.08Å
436E89.1Confident74.3Confident45 Ų4537.9 Ų37.921%0.2122%0.223CC..EExtended strand (participates in β ladder)trans-125.5131.4-175.7-55.7-168.7147.200109.7V360 K361 K366 F454 Q455V360-E436 CarbonylContact C-O 3.52Å; V360-E436 VanDerWaalsContact CA-O 3.3Å; V360-E436 WeakPolarHBondContact CA-O 3.23Å; K361-E436 PolarHBondContact N-O 2.63Å; K361-E436 PolarHBondContact O-N 3.27Å; K366-E436 WeakPolarHBondContact CD-OE1 3.05Å; K366-E436 WeakPolarHBondContact CE-OE1 3.48Å; K366-E436 IonicContact NZ-OE1 3.71Å; K366-E436 PolarHBondContact NZ-OE1 3.46Å; K366-E436 IonicContact NZ-OE2 2.64Å; K366-E436 PolarHBondContact NZ-OE2 2.92Å; E436-F454 VanDerWaalsContact CA-O 3.24Å; E436-F454 WeakPolarHBondContact CA-O 3.24Å; E436-Q455 HydrophobicContact CG-CG 4.36Å
437T84.9Confident72.2Confident8 Ų843.4 Ų43.45%0.04925%0.25CS..EExtended strand (participates in β ladder)trans-136.9169.1169.5-172.20000108.8F317 K359 V360 F454F317-T437 HydrophobicContact CD1-CG2 4.47Å; F317-T437 HydrophobicContact CE1-CG2 4.13Å; F317-T437 HydrophobicContact CE2-CG2 4.36Å; F317-T437 HydrophobicContact CZ-CG2 4.06Å; K359-T437 PolarHBondContact O-OG1 2.88Å; V360-T437 HydrophobicContact CG2-CG2 4.41Å; T437-F454 HydrophobicContact CG2-CB 3.48Å; T437-F454 VanDerWaalsContact CG2-CB 3.48Å; T437-F454 HydrophobicContact CG2-CD2 3.7Å; T437-F454 HydrophobicContact CG2-CG 3.72Å; T437-F454 PolarHBondContact N-O 3.33Å; T437-F454 VanDerWaalsContact N-O 3.12Å; T437-F454 WeakPolarHBondContact O-CD2 3.31Å; T437-F454 PolarHBondContact O-N 2.89Å
438Q79.4Confident69.9Low63 Ų6349.8 Ų49.829%0.29428%0.283SS..EExtended strand (participates in β ladder)trans-138.4141.5176-170.7-167.3-31.600108.5L358 C440 F451L358-Q438 WeakPolarHBondContact CD2-O 3.44Å; Q438-C440 PolarHBondContact NE2-SG 3.42Å; Q438-F451 HydrophobicContact CG-CD1 4.4Å
439L72.6Confident67.5Low15 Ų1556.6 Ų56.68%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-102.8127.1172.4179.859.4000108.6L354 L358 Q441 F454L354-L439 HydrophobicContact CD2-CD1 3.37Å; L354-L439 HydrophobicContact CD2-CD2 3.78Å; L354-L439 HydrophobicContact CD2-CG 4.23Å; L358-L439 HydrophobicContact CD2-CB 3.83Å; L358-L439 HydrophobicContact CD2-CD1 3.84Å; L358-L439 HydrophobicContact CD2-CG 4.42Å; L439-Q441 HydrophobicContact CD1-CG 3.92Å; L439-Q441 HydrophobicContact CG-CG 4.18Å; L439-F454 HydrophobicContact CB-CE2 3.5Å; L439-F454 HydrophobicContact CB-CZ 3.89Å
440C66.3Low65.3Low75 Ų7558.6 Ų58.651%0.50733%0.328SS..  trans-118.2114.3170.4-57.20000107.9Q438Q438-C440 PolarHBondContact NE2-SG 3.42Å
441Q63.6Low63.3Low60 Ų6064.2 Ų64.228%0.2835%0.353SS..  trans-128.6135.4173.2-76.2-166.4-34.200110.9L439L439-Q441 HydrophobicContact CD1-CG 3.92Å; L439-Q441 HydrophobicContact CG-CG 4.18Å
442P53Low61.5Low135 Ų13564.9 Ų64.988%0.87736%0.357SS*.THydrogen-bonded Turntrans-72.2138.9176.528-31.2000111.2
443G56.3Low59.9Low37 Ų3768.9 Ų68.938%0.38138%0.383SS..THydrogen-bonded Turntrans90.419.8174.300000115.5R274 K278 V445R274-G443 PolarHBondContact NH2-O 3.08Å; K278-G443 PolarHBondContact NZ-O 3.26Å; K278-G443 VanDerWaalsContact NZ-O 3.08Å; G443-V445 WeakPolarHBondContact O-CG2 3.47Å; G443-V445 PolarHBondContact O-N 3.44Å
444L55.3Low58.8Low44 Ų4469 Ų6923%0.2338%0.383CS..SBendtrans-78.975.7153.3-147.495.4000108.8R274 F306 I446 V450R274-L444 VanDerWaalsContact CZ-CD1 3.44Å; R274-L444 VanDerWaalsContact NH1-CD1 3.28Å; R274-L444 VanDerWaalsContact NH2-CA 3.32Å; F306-L444 HydrophobicContact CD2-CD1 3.84Å; F306-L444 HydrophobicContact CD2-CD2 3.7Å; F306-L444 HydrophobicContact CD2-CG 4.21Å; F306-L444 HydrophobicContact CE2-CD1 3.94Å; F306-L444 HydrophobicContact CE2-CD2 3.2Å; F306-L444 HydrophobicContact CE2-CG 4.13Å; F306-L444 HydrophobicContact CZ-CD2 3.67Å; L444-I446 PolarHBondContact O-N 2.83Å; L444-V450 HydrophobicContact CD2-CB 3.68Å; L444-V450 HydrophobicContact CD2-CG1 3.73Å; L444-V450 HydrophobicContact CD2-CG2 3.83Å
445V33.5Very low58.2Low104 Ų10472.8 Ų72.863%0.6340%0.401SS*.SBendtrans-59.299.8-161.5-173.40000112.7G443G443-V445 WeakPolarHBondContact O-CG2 3.47Å; G443-V445 PolarHBondContact O-N 3.44Å
446I29.6Very low57.9Low122 Ų12273.8 Ų73.863%0.62641%0.407SS*.SBend-178.9111121.2-78.8149.7000106.6L444 L448L444-I446 PolarHBondContact O-N 2.83Å; I446-L448 VanDerWaalsContact C-N 3.25Å; I446-L448 PolarHBondContact O-N 3.44Å
447D32.3Very low57.9Low169 Ų16972.4 Ų72.490%0.90440%0.402SS*.SBendtrans35.318.1154.1-72-24.6000123.4
448L33.7Very low58.2Low145 Ų14572.1 Ų72.176%0.75940%0.4SS*.SBendtrans-135.7132.3163.4-77.6146000105.9I446 V450I446-L448 VanDerWaalsContact C-N 3.25Å; I446-L448 PolarHBondContact O-N 3.44Å; L448-V450 VanDerWaalsContact C-N 3.34Å; L448-V450 WeakPolarHBondContact O-CG2 3.44Å; L448-V450 PolarHBondContact O-N 3.44Å
449E35.3Very low58.8Low145 Ų14569.5 Ų69.568%0.67839%0.388SS*.  trans-46.8106.7158.5-70.1176.6157.200106.4F451E449-F451 VanDerWaalsContact C-N 3.3Å; E449-F451 HydrophobicContact CB-CD2 4.14Å; E449-F451 HydrophobicContact CB-CE2 3.56Å; E449-F451 HydrophobicContact CB-CZ 4.08Å; E449-F451 WeakPolarHBondContact O-CD2 3.43Å; E449-F451 WeakPolarHBondContact O-CE2 3.38Å; E449-F451 PolarHBondContact O-N 3.33Å; E449-F451 WeakPolarHBondContact OE2-CZ 3.37Å
450V41Very low59.8Low57 Ų5768.8 Ų68.835%0.34538%0.384SS..  trans-76.494.3-178.5177.20000106.8F306 L444 L448 V452F306-V450 HydrophobicContact CZ-CG1 3.96Å; L444-V450 HydrophobicContact CD2-CB 3.68Å; L444-V450 HydrophobicContact CD2-CG1 3.73Å; L444-V450 HydrophobicContact CD2-CG2 3.83Å; L448-V450 VanDerWaalsContact C-N 3.34Å; L448-V450 WeakPolarHBondContact O-CG2 3.44Å; L448-V450 PolarHBondContact O-N 3.44Å; V450-V452 HydrophobicContact CG1-CG2 4.12Å; V450-V452 PolarHBondContact O-N 3.05Å; V450-V452 VanDerWaalsContact O-N 3.07Å
451F49.1Very low61.1Low119 Ų11965.2 Ų65.252%0.52236%0.36SS..  trans-64.6100.5171.6-67.5-101.9000108.1Q438 E449 P453Q438-F451 HydrophobicContact CG-CD1 4.4Å; E449-F451 VanDerWaalsContact C-N 3.3Å; E449-F451 HydrophobicContact CB-CD2 4.14Å; E449-F451 HydrophobicContact CB-CE2 3.56Å; E449-F451 HydrophobicContact CB-CZ 4.08Å; E449-F451 WeakPolarHBondContact O-CD2 3.43Å; E449-F451 WeakPolarHBondContact O-CE2 3.38Å; E449-F451 PolarHBondContact O-N 3.33Å; E449-F451 WeakPolarHBondContact OE2-CZ 3.37Å; F451-P453 WeakPolarHBondContact O-CD 3.38Å
452V51.7Low62.6Low13 Ų1362.3 Ų62.38%0.07935%0.347CS..EExtended strand (participates in β ladder)trans-93.7100.2164.4-175.60000107.6F306 Q310 Q314 V450 F454F306-V452 HydrophobicContact CZ-CG2 4.3Å; Q310-V452 HydrophobicContact CG-CG1 4.03Å; Q314-V452 HydrophobicContact CG-CG1 4.22Å; V450-V452 HydrophobicContact CG1-CG2 4.12Å; V450-V452 PolarHBondContact O-N 3.05Å; V450-V452 VanDerWaalsContact O-N 3.07Å; V452-F454 HydrophobicContact CB-CE2 4.36Å; V452-F454 HydrophobicContact CB-CZ 4.49Å; V452-F454 HydrophobicContact CG1-CE2 4.29Å; V452-F454 HydrophobicContact CG1-CZ 4.12Å; V452-F454 VanDerWaalsContact O-CD2 3.26Å; V452-F454 WeakPolarHBondContact O-CD2 3.08Å; V452-F454 VanDerWaalsContact O-CE2 3.24Å; V452-F454 WeakPolarHBondContact O-CE2 3.47Å
453P58.5Low64.5Low90 Ų9055.9 Ų55.958%0.58431%0.305SS*.EExtended strand (participates in β ladder)trans-71.2134.6171.929.9-33.8000109.2Q314 F451Q314-P453 PolarHBondContact NE2-O 3.45Å; F451-P453 WeakPolarHBondContact O-CD 3.38Å
454F68Low66.3Low4 Ų454.2 Ų54.22%0.01829%0.287CS..EExtended strand (participates in β ladder)trans-104.9130.5169.7-60.6-91000107.4I313 Q314 F317 L358 E436 T437 L439 V452I313-F454 HydrophobicContact CB-CE1 4.13Å; I313-F454 HydrophobicContact CG1-CE1 3.68Å; I313-F454 HydrophobicContact CG1-CZ 3.91Å; I313-F454 HydrophobicContact CG2-CE1 3.7Å; I313-F454 HydrophobicContact CG2-CZ 3.98Å; Q314-F454 HydrophobicContact CG-CD1 4.22Å; Q314-F454 HydrophobicContact CG-CE1 4.29Å; F317-F454 HydrophobicContact CB-CD1 4.41Å; F317-F454 HydrophobicContact CD1-CB 3.76Å; F317-F454 HydrophobicContact CE1-CB 4.15Å; F317-F454 HydrophobicContact CG-CB 4.41Å; L358-F454 HydrophobicContact CD2-CE2 4.43Å; E436-F454 VanDerWaalsContact CA-O 3.24Å; E436-F454 WeakPolarHBondContact CA-O 3.24Å; T437-F454 HydrophobicContact CG2-CB 3.48Å; T437-F454 VanDerWaalsContact CG2-CB 3.48Å; T437-F454 HydrophobicContact CG2-CD2 3.7Å; T437-F454 HydrophobicContact CG2-CG 3.72Å; T437-F454 PolarHBondContact N-O 3.33Å; T437-F454 VanDerWaalsContact N-O 3.12Å; T437-F454 WeakPolarHBondContact O-CD2 3.31Å; T437-F454 PolarHBondContact O-N 2.89Å; L439-F454 HydrophobicContact CB-CE2 3.5Å; L439-F454 HydrophobicContact CB-CZ 3.89Å; V452-F454 HydrophobicContact CB-CE2 4.36Å; V452-F454 HydrophobicContact CB-CZ 4.49Å; V452-F454 HydrophobicContact CG1-CE2 4.29Å; V452-F454 HydrophobicContact CG1-CZ 4.12Å; V452-F454 VanDerWaalsContact O-CD2 3.26Å; V452-F454 WeakPolarHBondContact O-CD2 3.08Å; V452-F454 VanDerWaalsContact O-CE2 3.24Å; V452-F454 WeakPolarHBondContact O-CE2 3.47Å
455Q77.7Confident68Low79 Ų7954.9 Ų54.937%0.36930%0.295SS..EExtended strand (participates in β ladder)trans-132.9127.7170.4-167.9-178.118.400109.6F435 E436F435-Q455 WeakPolarHBondContact O-CA 3.33Å; E436-Q455 HydrophobicContact CG-CG 4.36Å
456T85.5Confident70.7Confident20 Ų2054.2 Ų54.212%0.12329%0.288CS..EExtended strand (participates in β ladder)trans-134.1152.5169.7-157.60000108.7F317 V319 L345 F435F317-T456 HydrophobicContact CD1-CG2 3.59Å; F317-T456 HydrophobicContact CD2-CG2 4.44Å; F317-T456 HydrophobicContact CE1-CG2 3.45Å; F317-T456 VanDerWaalsContact CE1-CG2 3.45Å; F317-T456 HydrophobicContact CE2-CG2 4.28Å; F317-T456 HydrophobicContact CG-CG2 4.13Å; F317-T456 HydrophobicContact CZ-CG2 3.82Å; F317-T456 VanDerWaalsContact O-CB 3.29Å; F317-T456 WeakPolarHBondContact O-CB 3.3Å; F317-T456 PolarHBondContact O-OG1 3.38Å; F317-T456 VanDerWaalsContact O-OG1 3.04Å; V319-T456 HydrophobicContact CG2-CG2 4.11Å; L345-T456 HydrophobicContact CD2-CG2 4.24Å; F435-T456 HydrophobicContact CB-CG2 4.11Å; F435-T456 HydrophobicContact CD2-CG2 4.17Å; F435-T456 PolarHBondContact N-O 3.16Å; F435-T456 PolarHBondContact O-N 3.34Å; F435-T456 VanDerWaalsContact O-N 3.08Å
457T89.4Confident73.6Confident17 Ų1751.4 Ų51.410%0.10428%0.277CS..EExtended strand (participates in β ladder)trans-122.7146.9-178.555.50000110.5L433 R488L433-T457 CarbonylContact O-C 3.53Å; L433-T457 VanDerWaalsContact O-CA 3.22Å; L433-T457 WeakPolarHBondContact O-CA 3.27Å; T457-R488 PolarHBondContact OG1-NE 3.32Å
458S91.4Very high76.3Confident1 Ų147.5 Ų47.51%0.00726%0.263CS..PPolyproline II helixtrans-64.1166.7166.170.20000110.8L433L433-S458 PolarHBondContact N-OG 3.3Å; L433-S458 PolarHBondContact O-N 2.69Å
459L92.1Very high78.9Confident8 Ų842.8 Ų42.84%0.04224%0.237CC..PPolyproline II helixtrans-60.8158160-64.9168.5000109.7Q244 Q322 L333 V461Q244-L459 HydrophobicContact CB-CD1 4.41Å; Q244-L459 HydrophobicContact CG-CD1 3.64Å; Q244-L459 HydrophobicContact CG-CD2 3.61Å; Q244-L459 HydrophobicContact CG-CG 4.27Å; Q244-L459 VanDerWaalsContact NE2-CD2 3.31Å; Q322-L459 HydrophobicContact CG-CD1 4.08Å; Q322-L459 VanDerWaalsContact OE1-N 3.07Å; L333-L459 HydrophobicContact CD1-CB 3.8Å; L333-L459 HydrophobicContact CD1-CD1 4.01Å; L333-L459 HydrophobicContact CD2-CB 3.88Å; L459-V461 WeakPolarHBondContact O-CG2 3.41Å
460P92.2Very high81.6Confident0 Ų037 Ų370%021%0.21CC..PPolyproline II helixtrans-59.9144.4178.1-28.540.1000112.9L430 H431 Y480 L490L430-P460 HydrophobicContact CB-CB 4.04Å; L430-P460 HydrophobicContact CD1-CB 4.05Å; L430-P460 HydrophobicContact CD2-CB 4.18Å; L430-P460 HydrophobicContact CG-CB 4.32Å; H431-P460 CarbonylContact O-C 3.22Å; H431-P460 VanDerWaalsContact O-CA 3.28Å; H431-P460 WeakPolarHBondContact O-CA 3.33Å; P460-Y480 HydrophobicContact CB-CE1 4.29Å; P460-Y480 VanDerWaalsContact CD-CE1 3.41Å; P460-Y480 HydrophobicContact CG-CD1 4.3Å; P460-Y480 HydrophobicContact CG-CE1 3.55Å; P460-Y480 HydrophobicContact CG-CE2 4.1Å; P460-Y480 VanDerWaalsContact CG-CZ 3.44Å; P460-Y480 WeakPolarHBondContact CG-OH 3.44Å; P460-L490 HydrophobicContact CB-CD2 3.88Å; P460-L490 HydrophobicContact CG-CD2 3.97Å
461V93.6Very high84Confident0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-122.6139.3-170178.80000109.4P323 L333 L335 H431 L459P323-V461 HydrophobicContact CB-CG2 4.34Å; P323-V461 HydrophobicContact CG-CG2 4.08Å; L333-V461 HydrophobicContact CD2-CG2 4.21Å; L333-V461 CarbonylContact O-C 3.54Å; L333-V461 VanDerWaalsContact O-CA 3.27Å; L333-V461 WeakPolarHBondContact O-CA 3.42Å; L333-V461 VanDerWaalsContact O-CG1 3.28Å; L333-V461 WeakPolarHBondContact O-CG1 3.39Å; L335-V461 HydrophobicContact CB-CG1 4.08Å; L335-V461 HydrophobicContact CD1-CG1 3.59Å; L335-V461 HydrophobicContact CG-CG1 3.49Å; L335-V461 VanDerWaalsContact CG-CG1 3.49Å; H431-V461 PolarHBondContact N-O 3.01Å; H431-V461 PolarHBondContact O-N 2.77Å; L459-V461 WeakPolarHBondContact O-CG2 3.41Å
462V95Very high86Confident0 Ų031.7 Ų31.70%019%0.19CC..EExtended strand (participates in β ladder)trans-98.4128.9171.61760000109.5L333 L335 T427 L430 I464 I477L333-V462 PolarHBondContact O-N 3.09Å; L335-V462 PolarHBondContact N-O 2.9Å; T427-V462 WeakPolarHBondContact O-CG1 2.92Å; L430-V462 HydrophobicContact CD2-CG2 3.74Å; V462-I464 HydrophobicContact CG1-CG2 4.1Å; V462-I477 HydrophobicContact CB-CD1 4.42Å; V462-I477 HydrophobicContact CG2-CD1 3.73Å; V462-I477 HydrophobicContact CG2-CG1 4.13Å
463V93.7Very high88Confident0 Ų031 Ų310%019%0.186CC..EExtended strand (participates in β ladder)trans-104.8117.1179.4-174.30000111.6L335 T337 F364 R378 F380 L409 H431L335-V463 CarbonylContact O-C 3.55Å; L335-V463 WeakPolarHBondContact O-CA 3.49Å; T337-V463 HydrophobicContact CG2-CG1 3.67Å; F364-V463 HydrophobicContact CE1-CG2 4.49Å; F364-V463 HydrophobicContact CZ-CG2 3.79Å; R378-V463 PolarHBondContact NH1-O 3.05Å; R378-V463 VanDerWaalsContact NH1-O 3.15Å; R378-V463 PolarHBondContact NH2-O 3.45Å; F380-V463 HydrophobicContact CD1-CG1 3.91Å; F380-V463 HydrophobicContact CD2-CB 4.45Å; F380-V463 HydrophobicContact CD2-CG1 4.38Å; F380-V463 HydrophobicContact CD2-CG2 4.34Å; F380-V463 HydrophobicContact CE1-CB 4.36Å; F380-V463 HydrophobicContact CE1-CG1 3.52Å; F380-V463 HydrophobicContact CE2-CB 3.96Å; F380-V463 HydrophobicContact CE2-CG1 4.01Å; F380-V463 HydrophobicContact CE2-CG2 4.28Å; F380-V463 HydrophobicContact CG-CG1 4.33Å; F380-V463 HydrophobicContact CZ-CB 3.91Å; F380-V463 HydrophobicContact CZ-CG1 3.58Å; L409-V463 HydrophobicContact CD1-CG1 4.17Å; L409-V463 HydrophobicContact CD1-CG2 3.75Å; H431-V463 HydrophobicContact CB-CG2 4.48Å
464I93.7Very high89.8Confident1 Ų126.9 Ų26.91%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-109.3156.9-177.365.1174.9000112.7V334 L335 K336 T337 V462 Q469 L470V334-I464 HydrophobicContact CG1-CD1 3.79Å; V334-I464 HydrophobicContact CG1-CG1 4.21Å; V334-I464 HydrophobicContact CG1-CG2 4.08Å; L335-I464 PolarHBondContact O-N 3.3Å; K336-I464 WeakPolarHBondContact CA-O 3.42Å; K336-I464 HydrophobicContact CB-CD1 4.24Å; K336-I464 HydrophobicContact CB-CG1 3.84Å; K336-I464 HydrophobicContact CG-CG1 4.25Å; T337-I464 PolarHBondContact N-O 3.21Å; T337-I464 PolarHBondContact OG1-O 2.98Å; V462-I464 HydrophobicContact CG1-CG2 4.1Å; I464-Q469 HydrophobicContact CB-CB 4.07Å; I464-Q469 HydrophobicContact CG2-CB 3.88Å; I464-L470 HydrophobicContact CD1-CB 4.25Å; I464-L470 HydrophobicContact CD1-CD1 3.87Å
465S90.5Very high91Very high58 Ų5826.7 Ų26.741%0.40616%0.158SC..SBendtrans-102.2-33.6176.3-58.70000112.1K336K336-S465 WeakPolarHBondContact CE-O 3.4Å
466N90.8Very high91.8Very high91 Ų9123 Ų2349%0.48714%0.14SC..SBendtrans-128148.3-178.5-164.2-33.4000111.2S468 Q469N466-S468 PolarHBondContact O-N 2.89Å; N466-S468 PolarHBondContact OD1-N 2.91Å; N466-Q469 WeakPolarHBondContact O-CB 3.36Å; N466-Q469 PolarHBondContact O-N 2.99Å
467V89.6Confident92.2Very high62 Ų6222 Ų2238%0.37614%0.135SC..G310 helixtrans-60.7-27.2175.4-176.10000111.7K336 Q469 L470K336-V467 HydrophobicContact CD-CG2 4.04Å; V467-Q469 PolarHBondContact O-N 3.07Å; V467-Q469 VanDerWaalsContact O-N 3.09Å; V467-L470 WeakPolarHBondContact O-CB 3.28Å; V467-L470 PolarHBondContact O-N 3.31Å
468S88.9Confident92.5Very high88 Ų8821.4 Ų21.462%0.61513%0.131SC*.G310 helixtrans-59.3-20.2173.461.90000114N466 P471N466-S468 PolarHBondContact O-N 2.89Å; N466-S468 PolarHBondContact OD1-N 2.91Å; S468-P471 WeakPolarHBondContact O-CD 3.45Å
469Q90.1Very high92.6Very high46 Ų4621.4 Ų21.422%0.21513%0.13CC..G310 helixtrans-89.9-8.3178.3-55.1175.9-71.800112.6T427 I464 N466 V467 P471 S472 G473T427-Q469 HydrophobicContact CG2-CB 4.11Å; I464-Q469 HydrophobicContact CB-CB 4.07Å; I464-Q469 HydrophobicContact CG2-CB 3.88Å; N466-Q469 WeakPolarHBondContact O-CB 3.36Å; N466-Q469 PolarHBondContact O-N 2.99Å; V467-Q469 PolarHBondContact O-N 3.07Å; V467-Q469 VanDerWaalsContact O-N 3.09Å; Q469-P471 VanDerWaalsContact C-CD 3.48Å; Q469-S472 PolarHBondContact O-N 3.22Å; Q469-G473 PolarHBondContact O-N 3.23Å
470L91.6Very high92.7Very high22 Ų2221 Ų2112%0.11513%0.128CC..Hα-helixtrans-56.1-43.7-178.4-164.294.9000112.5M325 R331 V334 I464 V467 G473 W474M325-L470 HydrophobicContact CE-CD1 4.17Å; R331-L470 HydrophobicContact CG-CD2 4.01Å; R331-L470 HydrophobicContact CG-CG 4.43Å; V334-L470 HydrophobicContact CG1-CD1 4.05Å; I464-L470 HydrophobicContact CD1-CB 4.25Å; I464-L470 HydrophobicContact CD1-CD1 3.87Å; V467-L470 WeakPolarHBondContact O-CB 3.28Å; V467-L470 PolarHBondContact O-N 3.31Å; L470-G473 PolarHBondContact O-N 2.92Å; L470-W474 VanDerWaalsContact O-CB 3.28Å; L470-W474 WeakPolarHBondContact O-CB 3.4Å; L470-W474 PolarHBondContact O-N 3.21Å
471P91.1Very high92.7Very high28 Ų2821.2 Ų21.218%0.18213%0.13CC..Hα-helixtrans-62.1-46.5178.6-23.435.8000112.3S468 Q469 W474 A475 W561 D565S468-P471 WeakPolarHBondContact O-CD 3.45Å; Q469-P471 VanDerWaalsContact C-CD 3.48Å; P471-W474 PolarHBondContact O-N 2.97Å; P471-A475 PolarHBondContact O-N 3.39Å; P471-W561 PolarHBondContact O-NE1 3.28Å; P471-D565 HydrophobicContact CB-CB 4.24Å; P471-D565 WeakPolarHBondContact CB-OD2 3.3Å; P471-D565 VanDerWaalsContact CG-OD2 3.31Å; P471-D565 WeakPolarHBondContact CG-OD2 3.28Å
472S91.6Very high92.6Very high37 Ų3721.9 Ų21.926%0.25913%0.133SC..Hα-helixtrans-69.8-39179.9-57.90000112.5Q469 W474 A475 S476Q469-S472 PolarHBondContact O-N 3.22Å; S472-W474 VanDerWaalsContact C-N 3.31Å; S472-W474 PolarHBondContact O-N 3.17Å; S472-A475 VanDerWaalsContact O-CB 3.29Å; S472-A475 WeakPolarHBondContact O-CB 3.46Å; S472-A475 PolarHBondContact O-N 3.39Å; S472-S476 PolarHBondContact O-N 3.01Å
473G93.4Very high92.3Very high0 Ų023.6 Ų23.60%014%0.142CC..Hα-helixtrans-64.3-38173.700000111.9Q469 L470 S476 I477Q469-G473 PolarHBondContact O-N 3.23Å; L470-G473 PolarHBondContact O-N 2.92Å; G473-S476 PolarHBondContact O-N 3.44Å; G473-I477 WeakPolarHBondContact O-CG1 3.39Å; G473-I477 PolarHBondContact O-N 3.49Å
474W95.1Very high92Very high3 Ų324.3 Ų24.31%0.01115%0.146CC..Hα-helixtrans-65.5-38.8173.7-176.6-116.6000112.6C247 I248 R331 P332 V334 L470 P471 S472 S476 I477 L478 W561C247-W474 WeakPolarHBondContact O-CH2 3.25Å; I248-W474 HydrophobicContact CG2-CH2 4.33Å; R331-W474 HydrophobicContact CB-CE3 4.21Å; R331-W474 HydrophobicContact CG-CD2 4.49Å; P332-W474 HydrophobicContact CG-CH2 4.14Å; P332-W474 HydrophobicContact CG-CZ3 4.04Å; P332-W474 WeakPolarHBondContact O-CZ3 3.39Å; V334-W474 HydrophobicContact CG2-CB 4.48Å; V334-W474 HydrophobicContact CG2-CE3 4.19Å; L470-W474 VanDerWaalsContact O-CB 3.28Å; L470-W474 WeakPolarHBondContact O-CB 3.4Å; L470-W474 PolarHBondContact O-N 3.21Å; P471-W474 PolarHBondContact O-N 2.97Å; S472-W474 VanDerWaalsContact C-N 3.31Å; S472-W474 PolarHBondContact O-N 3.17Å; W474-S476 PolarHBondContact O-N 2.89Å; W474-I477 HydrophobicContact CE3-CB 3.96Å; W474-I477 HydrophobicContact CE3-CG2 3.91Å; W474-I477 HydrophobicContact CH2-CG2 4.43Å; W474-I477 HydrophobicContact CZ3-CB 4.22Å; W474-I477 HydrophobicContact CZ3-CG2 3.63Å; W474-I477 PolarHBondContact O-N 3.49Å; W474-I477 VanDerWaalsContact O-N 3.07Å; W474-L478 HydrophobicContact CD2-CD2 4.47Å; W474-L478 HydrophobicContact CD2-CG 4.31Å; W474-L478 HydrophobicContact CG-CG 4.4Å; W474-L478 HydrophobicContact CH2-CD2 4.42Å; W474-L478 HydrophobicContact CZ2-CD2 3.61Å; W474-L478 HydrophobicContact CZ2-CG 4.32Å; W474-L478 WeakPolarHBondContact O-CG 3.38Å; W474-L478 PolarHBondContact O-N 2.77Å; W474-W561 AromaticContact CD1-CZ2 3.39Å; W474-W561 AromaticContact NE1-CZ2 3.96Å
475A94.3Very high90.8Very high0 Ų029 Ų290%018%0.175CC..Hα-helixtrans-54-43173.700000111.8P471 S472 L478 W479 W545 F548 C549 W561P471-A475 PolarHBondContact O-N 3.39Å; S472-A475 VanDerWaalsContact O-CB 3.29Å; S472-A475 WeakPolarHBondContact O-CB 3.46Å; S472-A475 PolarHBondContact O-N 3.39Å; A475-L478 PolarHBondContact O-N 3.38Å; A475-W479 PolarHBondContact O-N 3.39Å; A475-W545 HydrophobicContact CB-CH2 3.82Å; A475-W545 HydrophobicContact CB-CZ3 4.2Å; A475-W545 WeakPolarHBondContact O-CZ3 3.37Å; A475-F548 HydrophobicContact CB-CE1 4.12Å; A475-C549 HydrophobicContact CB-CB 4.31Å; A475-C549 VanDerWaalsContact CB-SG 3.58Å; A475-W561 HydrophobicContact CB-CB 4.38Å; A475-W561 HydrophobicContact CB-CG 3.8Å
476S94Very high89.7Confident0 Ų032.3 Ų32.30%018%0.184CC..Hα-helixtrans-66.2-40.3177.7-64.90000112T427 S472 G473 W474 W479 Y480 F493T427-S476 VanDerWaalsContact O-CB 3.3Å; T427-S476 WeakPolarHBondContact O-CB 3.37Å; T427-S476 PolarHBondContact O-OG 3.02Å; S472-S476 PolarHBondContact O-N 3.01Å; G473-S476 PolarHBondContact O-N 3.44Å; W474-S476 PolarHBondContact O-N 2.89Å; S476-W479 PolarHBondContact O-N 3.32Å; S476-Y480 VanDerWaalsContact O-CB 3.31Å; S476-Y480 WeakPolarHBondContact O-CB 3.3Å; S476-Y480 PolarHBondContact O-N 2.97Å; S476-F493 WeakPolarHBondContact O-CZ 3.41Å
477I94.7Very high88.3Confident1 Ų131.4 Ų31.41%0.00518%0.183CC..Hα-helixtrans-64.4-42.1174.5-64.3-53.7000111.7I248 L333 V334 V462 G473 W474 N481I248-I477 HydrophobicContact CG2-CG2 4.33Å; L333-I477 HydrophobicContact CB-CD1 3.64Å; L333-I477 HydrophobicContact CB-CG1 3.98Å; L333-I477 HydrophobicContact CB-CG2 3.99Å; L333-I477 HydrophobicContact CD1-CG2 3.9Å; L333-I477 HydrophobicContact CG-CG2 4.49Å; V334-I477 HydrophobicContact CG2-CG1 3.75Å; V462-I477 HydrophobicContact CB-CD1 4.42Å; V462-I477 HydrophobicContact CG2-CD1 3.73Å; V462-I477 HydrophobicContact CG2-CG1 4.13Å; G473-I477 WeakPolarHBondContact O-CG1 3.39Å; G473-I477 PolarHBondContact O-N 3.49Å; W474-I477 HydrophobicContact CE3-CB 3.96Å; W474-I477 HydrophobicContact CE3-CG2 3.91Å; W474-I477 HydrophobicContact CH2-CG2 4.43Å; W474-I477 HydrophobicContact CZ3-CB 4.22Å; W474-I477 HydrophobicContact CZ3-CG2 3.63Å; W474-I477 PolarHBondContact O-N 3.49Å; W474-I477 VanDerWaalsContact O-N 3.07Å; I477-N481 WeakPolarHBondContact CG2-ND2 3.08Å; I477-N481 WeakPolarHBondContact O-CB 3.47Å; I477-N481 PolarHBondContact O-N 3.29Å; I477-N481 PolarHBondContact O-ND2 3.1Å
478L94.4Very high87.3Confident4 Ų434.4 Ų34.42%0.02119%0.187CC..Hα-helixtrans-58.8-51.2174.9-69.9-178.7000110.9I248 W474 A475 Y480 M482 V507 Q511 W561I248-L478 HydrophobicContact CB-CD2 3.7Å; I248-L478 HydrophobicContact CG2-CD2 3.91Å; W474-L478 HydrophobicContact CD2-CD2 4.47Å; W474-L478 HydrophobicContact CD2-CG 4.31Å; W474-L478 HydrophobicContact CG-CG 4.4Å; W474-L478 HydrophobicContact CH2-CD2 4.42Å; W474-L478 HydrophobicContact CZ2-CD2 3.61Å; W474-L478 HydrophobicContact CZ2-CG 4.32Å; W474-L478 WeakPolarHBondContact O-CG 3.38Å; W474-L478 PolarHBondContact O-N 2.77Å; A475-L478 PolarHBondContact O-N 3.38Å; L478-Y480 PolarHBondContact O-N 3.07Å; L478-M482 WeakPolarHBondContact O-CB 3.24Å; L478-M482 PolarHBondContact O-N 2.91Å; L478-V507 HydrophobicContact CD2-CG1 4.02Å; L478-Q511 HydrophobicContact CD1-CG 4.29Å; L478-W561 HydrophobicContact CD1-CD2 4.27Å; L478-W561 HydrophobicContact CD1-CE3 4.04Å; L478-W561 HydrophobicContact CD1-CH2 3.61Å; L478-W561 HydrophobicContact CD1-CZ2 3.88Å; L478-W561 HydrophobicContact CD1-CZ3 3.67Å
479W94.4Very high86.9Confident0 Ų032.7 Ų32.70%017%0.172CC..Hα-helixtrans-63.8-42.9-177.1-149.1-100.3000112.5A475 S476 M482 L483 F492 F493 P497 A499 L504 I543 W545 F548A475-W479 PolarHBondContact O-N 3.39Å; S476-W479 PolarHBondContact O-N 3.32Å; W479-M482 HydrophobicContact CD2-CE 4.07Å; W479-M482 HydrophobicContact CE3-CE 3.81Å; W479-M482 HydrophobicContact CZ3-CE 4.05Å; W479-L483 HydrophobicContact CD2-CD1 4.4Å; W479-L483 HydrophobicContact CG-CD1 4.3Å; W479-L483 WeakPolarHBondContact O-CG 3.45Å; W479-L483 PolarHBondContact O-N 3.47Å; W479-F492 AromaticContact CD1-CE1 3.84Å; W479-F492 AromaticContact CD1-CZ 3.93Å; W479-F493 HydrophobicContact CB-CE1 4.41Å; W479-F493 HydrophobicContact CB-CZ 4.4Å; W479-P497 PolarHBondContact NE1-O 3.08Å; W479-A499 HydrophobicContact CH2-CB 3.54Å; W479-A499 HydrophobicContact CZ2-CB 3.6Å; W479-A499 HydrophobicContact CZ3-CB 4.15Å; W479-L504 HydrophobicContact CH2-CD2 4.43Å; W479-L504 HydrophobicContact CZ3-CD1 3.96Å; W479-L504 HydrophobicContact CZ3-CD2 4.14Å; W479-I543 HydrophobicContact CH2-CB 4.45Å; W479-I543 HydrophobicContact CH2-CG2 4.12Å; W479-I543 VanDerWaalsContact CZ2-O 3.3Å; W479-I543 WeakPolarHBondContact CZ2-O 3.4Å; W479-W545 HydrophobicContact CB-CE3 3.71Å; W479-W545 HydrophobicContact CB-CZ3 3.57Å; W479-W545 AromaticContact CD1-CE3 3.83Å; W479-W545 HydrophobicContact CD2-CD2 4.49Å; W479-W545 AromaticContact CD2-CE3 3.46Å; W479-W545 HydrophobicContact CD2-CE3 3.46Å; W479-W545 VanDerWaalsContact CD2-CE3 3.46Å; W479-W545 HydrophobicContact CD2-CZ3 4.05Å; W479-W545 AromaticContact CE2-CE3 3.96Å; W479-W545 AromaticContact CE3-CE3 3.87Å; W479-W545 HydrophobicContact CE3-CE3 3.87Å; W479-W545 HydrophobicContact CE3-CZ3 4.2Å; W479-W545 HydrophobicContact CG-CD2 4.29Å; W479-W545 AromaticContact CG-CE3 3.38Å; W479-W545 HydrophobicContact CG-CE3 3.38Å; W479-W545 AromaticContact CG-CZ3 3.8Å; W479-W545 HydrophobicContact CG-CZ3 3.8Å; W479-W545 HydrophobicContact CZ2-CB 4.24Å; W479-F548 HydrophobicContact CE3-CB 4.24Å; W479-F548 AromaticContact CE3-CD1 3.51Å; W479-F548 HydrophobicContact CE3-CD1 3.51Å; W479-F548 HydrophobicContact CE3-CD2 4.48Å; W479-F548 AromaticContact CE3-CE1 3.88Å; W479-F548 HydrophobicContact CE3-CE1 3.88Å; W479-F548 AromaticContact CE3-CG 3.84Å; W479-F548 HydrophobicContact CE3-CG 3.84Å; W479-F548 HydrophobicContact CE3-CZ 4.49Å; W479-F548 HydrophobicContact CH2-CB 3.81Å; W479-F548 HydrophobicContact CH2-CG 4.14Å; W479-F548 HydrophobicContact CZ3-CB 3.54Å; W479-F548 AromaticContact CZ3-CD1 3.56Å; W479-F548 HydrophobicContact CZ3-CD1 3.56Å; W479-F548 AromaticContact CZ3-CD2 3.78Å; W479-F548 HydrophobicContact CZ3-CD2 3.78Å; W479-F548 HydrophobicContact CZ3-CE1 4.14Å; W479-F548 HydrophobicContact CZ3-CE2 4.33Å; W479-F548 AromaticContact CZ3-CG 3.34Å; W479-F548 HydrophobicContact CZ3-CG 3.34Å; W479-F548 HydrophobicContact CZ3-CZ 4.48Å
480Y93.3Very high86.6Confident0 Ų031.1 Ų31.10%016%0.164CC..Hα-helixtrans-62.3-54.9178.7-176.4-89.3000111.6L430 P460 S476 L478 M482 L483 V484 E486 N489 F492L430-Y480 HydrophobicContact CD1-CD2 3.57Å; L430-Y480 HydrophobicContact CD1-CE2 3.87Å; L430-Y480 HydrophobicContact CD1-CG 4.3Å; P460-Y480 HydrophobicContact CB-CE1 4.29Å; P460-Y480 VanDerWaalsContact CD-CE1 3.41Å; P460-Y480 HydrophobicContact CG-CD1 4.3Å; P460-Y480 HydrophobicContact CG-CE1 3.55Å; P460-Y480 HydrophobicContact CG-CE2 4.1Å; P460-Y480 VanDerWaalsContact CG-CZ 3.44Å; P460-Y480 WeakPolarHBondContact CG-OH 3.44Å; S476-Y480 VanDerWaalsContact O-CB 3.31Å; S476-Y480 WeakPolarHBondContact O-CB 3.3Å; S476-Y480 PolarHBondContact O-N 2.97Å; L478-Y480 PolarHBondContact O-N 3.07Å; Y480-M482 VanDerWaalsContact C-N 3.32Å; Y480-M482 PolarHBondContact O-N 2.73Å; Y480-L483 PolarHBondContact O-N 3.48Å; Y480-V484 HydrophobicContact CD2-CB 4.46Å; Y480-V484 HydrophobicContact CD2-CG2 3.87Å; Y480-V484 HydrophobicContact CE1-CB 4.17Å; Y480-V484 HydrophobicContact CE1-CG1 4.32Å; Y480-V484 HydrophobicContact CE2-CB 4.13Å; Y480-V484 HydrophobicContact CE2-CG1 4.16Å; Y480-V484 HydrophobicContact CE2-CG2 3.75Å; Y480-V484 HydrophobicContact CG-CG2 4.33Å; Y480-V484 VanDerWaalsContact O-CB 3.28Å; Y480-V484 WeakPolarHBondContact O-CB 3.46Å; Y480-V484 WeakPolarHBondContact O-CG2 3.49Å; Y480-V484 PolarHBondContact O-N 3.39Å; Y480-E486 PolarHBondContact OH-O 3.04Å; Y480-N489 HydrophobicContact CE2-CB 4.38Å; Y480-N489 VanDerWaalsContact CE2-O 3.3Å; Y480-N489 WeakPolarHBondContact CE2-O 3.28Å; Y480-N489 PolarHBondContact OH-N 3.4Å; Y480-F492 HydrophobicContact CD2-CB 3.86Å; Y480-F492 AromaticContact CD2-CD1 3.77Å; Y480-F492 HydrophobicContact CD2-CD1 3.77Å; Y480-F492 HydrophobicContact CD2-CD2 4.13Å; Y480-F492 HydrophobicContact CD2-CE1 4.28Å; Y480-F492 AromaticContact CD2-CG 3.66Å; Y480-F492 HydrophobicContact CD2-CG 3.66Å; Y480-F492 HydrophobicContact CE2-CB 3.91Å; Y480-F492 HydrophobicContact CE2-CD2 4.34Å; Y480-F492 HydrophobicContact CE2-CG 4.06Å
481N92.3Very high86.2Confident5 Ų532 Ų323%0.02717%0.172CC..Hα-helixtrans-74-23.1-173.5-70.7-77.5000113.4I248 I477I248-N481 HydrophobicContact CD1-CB 4.38Å; I248-N481 HydrophobicContact CG2-CB 3.73Å; I477-N481 WeakPolarHBondContact CG2-ND2 3.08Å; I477-N481 WeakPolarHBondContact O-CB 3.47Å; I477-N481 PolarHBondContact O-N 3.29Å; I477-N481 PolarHBondContact O-ND2 3.1Å
482M91.9Very high86.1Confident14 Ų1431.1 Ų31.17%0.06917%0.166CC..Hα-helixtrans-67.7-44.5172.6179.5177.461.500111.3L478 W479 Y480 A499 Q503 L504 V507L478-M482 WeakPolarHBondContact O-CB 3.24Å; L478-M482 PolarHBondContact O-N 2.91Å; W479-M482 HydrophobicContact CD2-CE 4.07Å; W479-M482 HydrophobicContact CE3-CE 3.81Å; W479-M482 HydrophobicContact CZ3-CE 4.05Å; Y480-M482 VanDerWaalsContact C-N 3.32Å; Y480-M482 PolarHBondContact O-N 2.73Å; M482-A499 HydrophobicContact CE-CB 3.34Å; M482-A499 HydrophobicContact SD-CB 4.39Å; M482-Q503 HydrophobicContact CG-CB 4.43Å; M482-Q503 HydrophobicContact SD-CB 4.33Å; M482-L504 HydrophobicContact CE-CD1 4.07Å; M482-L504 HydrophobicContact SD-CB 4.2Å; M482-L504 HydrophobicContact SD-CD1 4.03Å; M482-V507 HydrophobicContact CB-CG2 4.34Å; M482-V507 HydrophobicContact CG-CG2 3.96Å; M482-V507 HydrophobicContact SD-CB 4.29Å; M482-V507 HydrophobicContact SD-CG2 3.83Å
483L89.1Confident85.9Confident36 Ų3629.6 Ų29.619%0.18816%0.155CC..Hα-helixtrans-99.3-30.8-167.4-59.6178000114W479 Y480 F492 P497 A499W479-L483 HydrophobicContact CD2-CD1 4.4Å; W479-L483 HydrophobicContact CG-CD1 4.3Å; W479-L483 WeakPolarHBondContact O-CG 3.45Å; W479-L483 PolarHBondContact O-N 3.47Å; Y480-L483 PolarHBondContact O-N 3.48Å; L483-F492 HydrophobicContact CB-CZ 4.39Å; L483-F492 HydrophobicContact CD1-CZ 4.43Å; L483-P497 HydrophobicContact CB-CG 4.25Å; L483-P497 HydrophobicContact CD1-CB 4.33Å; L483-P497 HydrophobicContact CD1-CG 3.82Å; L483-A499 HydrophobicContact CD1-CB 4.22Å; L483-A499 HydrophobicContact CD2-CB 4.02Å
484V86.4Confident85.5Confident15 Ų1533.3 Ų33.39%0.09117%0.174CC..  trans-93.1132.4-171.6-175.90000111.4R241 Y480 E486 F492R241-V484 PolarHBondContact NH1-O 3.36Å; Y480-V484 HydrophobicContact CD2-CB 4.46Å; Y480-V484 HydrophobicContact CD2-CG2 3.87Å; Y480-V484 HydrophobicContact CE1-CB 4.17Å; Y480-V484 HydrophobicContact CE1-CG1 4.32Å; Y480-V484 HydrophobicContact CE2-CB 4.13Å; Y480-V484 HydrophobicContact CE2-CG1 4.16Å; Y480-V484 HydrophobicContact CE2-CG2 3.75Å; Y480-V484 HydrophobicContact CG-CG2 4.33Å; Y480-V484 VanDerWaalsContact O-CB 3.28Å; Y480-V484 WeakPolarHBondContact O-CB 3.46Å; Y480-V484 WeakPolarHBondContact O-CG2 3.49Å; Y480-V484 PolarHBondContact O-N 3.39Å; V484-E486 HydrophobicContact CG1-CB 4.34Å; V484-E486 WeakPolarHBondContact CG1-O 3.49Å; V484-F492 HydrophobicContact CG2-CD2 3.36Å; V484-F492 HydrophobicContact CG2-CE2 3.14Å; V484-F492 HydrophobicContact CG2-CG 4.27Å; V484-F492 HydrophobicContact CG2-CZ 3.92Å
485T69.8Low85.1Confident99 Ų9940.2 Ų40.261%0.60721%0.211SC*.  trans-93.4-29.2170.843.70000112.8R241R241-T485 VanDerWaalsContact NH1-CG2 3.3Å
486E67.6Low84.7Confident128 Ų12842.1 Ų42.160%0.59822%0.223SC*.SBendtrans-84.1135.8-178.4-64.9-176.7178.100113Y480 V484 R488Y480-E486 PolarHBondContact OH-O 3.04Å; V484-E486 HydrophobicContact CG1-CB 4.34Å; V484-E486 WeakPolarHBondContact CG1-O 3.49Å; E486-R488 VanDerWaalsContact C-N 3.31Å; E486-R488 PolarHBondContact O-N 3.16Å
487P60.9Low84.6Confident71 Ų7144.8 Ų44.846%0.46124%0.241SC..SBendtrans-75.5-11.8-174.428.4-34.5000114.9
488R69.4Low84.4Confident125 Ų12547.5 Ų47.547%0.47226%0.259SS..  trans-13379.9-175.2-64.4-163-147.7179.612112.4T457 E486T457-R488 PolarHBondContact OG1-NE 3.32Å; E486-R488 VanDerWaalsContact C-N 3.31Å; E486-R488 PolarHBondContact O-N 3.16Å
489N80.1Confident84.3Confident53 Ų5347.3 Ų47.328%0.28326%0.258SS..  trans-130.987.9163.8-175.6-3.8000109.2Y480 S491 F492Y480-N489 HydrophobicContact CE2-CB 4.38Å; Y480-N489 VanDerWaalsContact CE2-O 3.3Å; Y480-N489 WeakPolarHBondContact CE2-O 3.28Å; Y480-N489 PolarHBondContact OH-N 3.4Å; N489-S491 VanDerWaalsContact C-N 3.29Å; N489-S491 PolarHBondContact OD1-N 3.35Å; N489-S491 PolarHBondContact OD1-OG 3.33Å; N489-F492 WeakPolarHBondContact O-CB 3.49Å; N489-F492 PolarHBondContact OD1-N 2.74Å; N489-F492 VanDerWaalsContact OD1-N 3.12Å
490L82.8Confident84.2Confident12 Ų1252.7 Ų52.76%0.06328%0.279CS..THydrogen-bonded Turntrans-79-17.5-177.9-57.6-178.9000112.3V368 L430 P460 F492V368-L490 HydrophobicContact CB-CD1 4.24Å; V368-L490 HydrophobicContact CG1-CD1 3.64Å; V368-L490 HydrophobicContact CG2-CD1 3.53Å; L430-L490 HydrophobicContact CB-CB 4.29Å; L430-L490 HydrophobicContact CB-CD2 3.91Å; P460-L490 HydrophobicContact CB-CD2 3.88Å; P460-L490 HydrophobicContact CG-CD2 3.97Å; L490-F492 VanDerWaalsContact C-N 3.33Å
491S83.5Confident84.1Confident40 Ų4053.7 Ų53.728%0.2828%0.283SS..THydrogen-bonded Turntrans-91.713.3176.632.10000113.7E370 N489 F493 L494E370-S491 PolarHBondContact OE1-N 2.74Å; E370-S491 PolarHBondContact OE1-OG 2.64Å; N489-S491 VanDerWaalsContact C-N 3.29Å; N489-S491 PolarHBondContact OD1-N 3.35Å; N489-S491 PolarHBondContact OD1-OG 3.33Å; S491-F493 VanDerWaalsContact C-N 3.3Å; S491-F493 PolarHBondContact O-N 3.25Å; S491-L494 WeakPolarHBondContact O-CB 3.39Å; S491-L494 WeakPolarHBondContact O-CG 3.41Å; S491-L494 PolarHBondContact O-N 3.45Å
492F88.1Confident84Confident10 Ų1056.2 Ų56.24%0.04430%0.301CS..G310 helixtrans-51-42.2-176.8174.9-101.3000114.4L430 W479 Y480 L483 V484 N489 L490 L494 N495 P497L430-F492 HydrophobicContact CD1-CB 4.1Å; W479-F492 AromaticContact CD1-CE1 3.84Å; W479-F492 AromaticContact CD1-CZ 3.93Å; Y480-F492 HydrophobicContact CD2-CB 3.86Å; Y480-F492 AromaticContact CD2-CD1 3.77Å; Y480-F492 HydrophobicContact CD2-CD1 3.77Å; Y480-F492 HydrophobicContact CD2-CD2 4.13Å; Y480-F492 HydrophobicContact CD2-CE1 4.28Å; Y480-F492 AromaticContact CD2-CG 3.66Å; Y480-F492 HydrophobicContact CD2-CG 3.66Å; Y480-F492 HydrophobicContact CE2-CB 3.91Å; Y480-F492 HydrophobicContact CE2-CD2 4.34Å; Y480-F492 HydrophobicContact CE2-CG 4.06Å; L483-F492 HydrophobicContact CB-CZ 4.39Å; L483-F492 HydrophobicContact CD1-CZ 4.43Å; V484-F492 HydrophobicContact CG2-CD2 3.36Å; V484-F492 HydrophobicContact CG2-CE2 3.14Å; V484-F492 HydrophobicContact CG2-CG 4.27Å; V484-F492 HydrophobicContact CG2-CZ 3.92Å; N489-F492 WeakPolarHBondContact O-CB 3.49Å; N489-F492 PolarHBondContact OD1-N 2.74Å; N489-F492 VanDerWaalsContact OD1-N 3.12Å; L490-F492 VanDerWaalsContact C-N 3.33Å; F492-L494 PolarHBondContact O-N 3Å; F492-N495 CarbonylContact O-C 3.58Å; F492-N495 PolarHBondContact O-N 2.96Å; F492-P497 HydrophobicContact CE2-CG 3.55Å; F492-P497 HydrophobicContact CZ-CG 3.8Å
493F88.5Confident84Confident6 Ų659.2 Ų59.23%0.02631%0.314CS..G310 helixtrans-78.90.1-177.2-72.1-73000114.8L424 E428 L430 S476 W479 S491 P496 W545L424-F493 HydrophobicContact CD2-CB 3.78Å; L424-F493 WeakPolarHBondContact CD2-O 3.41Å; E428-F493 HydrophobicContact CB-CB 3.87Å; E428-F493 HydrophobicContact CB-CD1 4.49Å; E428-F493 HydrophobicContact CB-CD2 4.09Å; E428-F493 HydrophobicContact CB-CG 3.89Å; E428-F493 HydrophobicContact CG-CB 4.36Å; E428-F493 HydrophobicContact CG-CD1 4.2Å; E428-F493 HydrophobicContact CG-CG 4.1Å; E428-F493 WeakPolarHBondContact O-CD2 3.13Å; L430-F493 HydrophobicContact CD1-CD2 4.09Å; L430-F493 HydrophobicContact CD1-CE2 4.01Å; L430-F493 HydrophobicContact CD2-CE2 4.12Å; L430-F493 HydrophobicContact CG-CD2 4.12Å; L430-F493 HydrophobicContact CG-CE2 4.13Å; S476-F493 WeakPolarHBondContact O-CZ 3.41Å; W479-F493 HydrophobicContact CB-CE1 4.41Å; W479-F493 HydrophobicContact CB-CZ 4.4Å; S491-F493 VanDerWaalsContact C-N 3.3Å; S491-F493 PolarHBondContact O-N 3.25Å; F493-P496 HydrophobicContact CD1-CB 4.26Å; F493-W545 HydrophobicContact CD1-CD2 4.33Å; F493-W545 AromaticContact CD1-CE2 3.89Å; F493-W545 HydrophobicContact CD1-CZ2 4.23Å; F493-W545 AromaticContact CD1-NE1 3.83Å; F493-W545 AromaticContact CE1-CD2 3.89Å; F493-W545 HydrophobicContact CE1-CD2 3.89Å; F493-W545 AromaticContact CE1-CE2 3.63Å; F493-W545 HydrophobicContact CE1-CE3 4.22Å; F493-W545 HydrophobicContact CE1-CG 4.47Å; F493-W545 HydrophobicContact CE1-CH2 4.04Å; F493-W545 AromaticContact CE1-CZ2 3.72Å; F493-W545 HydrophobicContact CE1-CZ2 3.72Å; F493-W545 HydrophobicContact CE1-CZ3 4.28Å; F493-W545 HydrophobicContact CZ-CZ2 4.46Å
494L85.2Confident84.2Confident77 Ų7757.6 Ų57.640%0.40331%0.306SS..G310 helixtrans-67.7-40.2169.5-66.5178.1000110.9P423 L424 S491 F492P423-L494 HydrophobicContact CB-CD2 4.4Å; P423-L494 HydrophobicContact CG-CD2 4.06Å; L424-L494 HydrophobicContact CD1-CD2 4.08Å; L424-L494 HydrophobicContact CD1-CG 4.45Å; L424-L494 HydrophobicContact CD2-CD2 3.97Å; L424-L494 HydrophobicContact CG-CD2 3.93Å; S491-L494 WeakPolarHBondContact O-CB 3.39Å; S491-L494 WeakPolarHBondContact O-CG 3.41Å; S491-L494 PolarHBondContact O-N 3.45Å; F492-L494 PolarHBondContact O-N 3Å
495N85.5Confident84.4Confident148 Ų14857.7 Ų57.779%0.79131%0.307SS*.SBendtrans-137.272.9176.8-72.4-34.9000109.5F492F492-N495 CarbonylContact O-C 3.58Å; F492-N495 PolarHBondContact O-N 2.96Å
496P87.9Confident85.5Confident40 Ų4058 Ų5826%0.2630%0.302SS..PPolyproline II helixtrans-68.6126.9-17426.8-32.2000110.5F493 W545F493-P496 HydrophobicContact CD1-CB 4.26Å; P496-W545 HydrophobicContact CB-CB 3.74Å; P496-W545 HydrophobicContact CB-CG 4.04Å; P496-W545 HydrophobicContact CG-CB 3.77Å; P496-W545 HydrophobicContact CG-CG 4Å
497P90.4Very high86.8Confident56 Ų5652.1 Ų52.136%0.36428%0.275SS..PPolyproline II helixtrans-65.1155.7176.424-29.7000111.6W479 L483 F492W479-P497 PolarHBondContact NE1-O 3.08Å; L483-P497 HydrophobicContact CB-CG 4.25Å; L483-P497 HydrophobicContact CD1-CB 4.33Å; L483-P497 HydrophobicContact CD1-CG 3.82Å; F492-P497 HydrophobicContact CE2-CG 3.55Å; F492-P497 HydrophobicContact CZ-CG 3.8Å
498C91.4Very high88.4Confident59 Ų5948.9 Ų48.940%0.39925%0.253SS..PPolyproline II helixtrans-75.7146170.8-64.50000110.3L542 I543C498-L542 HydrophobicContact CB-CB 4.08Å; C498-L542 HydrophobicContact CB-CD2 4.15Å; C498-I543 WeakPolarHBondContact CA-O 3.41Å
499A92Very high89.6Confident0 Ų044 Ų440%024%0.239CC..EExtended strand (participates in β ladder)trans-97142.6175.800000111.1W479 M482 L483 L542 I543W479-A499 HydrophobicContact CH2-CB 3.54Å; W479-A499 HydrophobicContact CZ2-CB 3.6Å; W479-A499 HydrophobicContact CZ3-CB 4.15Å; M482-A499 HydrophobicContact CE-CB 3.34Å; M482-A499 HydrophobicContact SD-CB 4.39Å; L483-A499 HydrophobicContact CD1-CB 4.22Å; L483-A499 HydrophobicContact CD2-CB 4.02Å; A499-L542 CarbonylContact O-C 3.52Å; A499-L542 WeakPolarHBondContact O-CA 3.48Å; A499-I543 PolarHBondContact N-O 2.9Å; A499-I543 PolarHBondContact O-N 3.25Å
500W91.4Very high90.2Very high112 Ų11243.5 Ų43.542%0.42423%0.233SC..EExtended strand (participates in β ladder)trans-73137.8169.3-59.488.9000109.7S502 Q503 L504 D540 L542W500-S502 VanDerWaalsContact C-N 3.27Å; W500-S502 PolarHBondContact O-N 3.44Å; W500-Q503 HydrophobicContact CB-CB 4.43Å; W500-Q503 HydrophobicContact CB-CG 4.24Å; W500-Q503 PolarHBondContact O-N 3.4Å; W500-L504 PolarHBondContact O-N 3.06Å; W500-D540 HydrophobicContact CE3-CB 4.34Å; W500-D540 HydrophobicContact CZ3-CB 4.07Å; W500-L542 HydrophobicContact CD2-CD2 3.7Å; W500-L542 HydrophobicContact CE3-CD2 3.93Å; W500-L542 HydrophobicContact CE3-CG 4.44Å; W500-L542 HydrophobicContact CG-CD2 4.13Å; W500-L542 HydrophobicContact CH2-CD2 4.37Å; W500-L542 HydrophobicContact CZ2-CD2 4.15Å; W500-L542 HydrophobicContact CZ3-CD2 4.25Å; W500-L542 HydrophobicContact CZ3-CG 4.47Å
501W92.3Very high90.7Very high22 Ų2242.9 Ų42.98%0.08323%0.23CC..Hα-helixtrans-59.6-38177.5173.5-116.9000112.5Q503 L504 S505 L508 L525 L528 G529 L532 L533 G541 I543W501-Q503 VanDerWaalsContact C-N 3.26Å; W501-Q503 PolarHBondContact O-N 3.42Å; W501-L504 HydrophobicContact CE3-CB 4.42Å; W501-L504 HydrophobicContact CE3-CD2 4.43Å; W501-L504 HydrophobicContact CZ3-CD2 4.47Å; W501-L504 PolarHBondContact O-N 2.93Å; W501-S505 WeakPolarHBondContact O-CB 3.36Å; W501-S505 PolarHBondContact O-N 3.3Å; W501-S505 PolarHBondContact O-OG 3.07Å; W501-L508 HydrophobicContact CH2-CD1 4.16Å; W501-L508 HydrophobicContact CZ3-CD1 3.98Å; W501-L525 HydrophobicContact CZ2-CB 4.22Å; W501-L525 WeakPolarHBondContact CZ2-O 3.35Å; W501-L528 HydrophobicContact CH2-CB 3.9Å; W501-G529 VanDerWaalsContact CZ2-CA 3.44Å; W501-L532 HydrophobicContact CE3-CD1 4.48Å; W501-L532 HydrophobicContact CZ3-CD1 3.96Å; W501-L533 HydrophobicContact CB-CD1 3.95Å; W501-L533 HydrophobicContact CG-CD1 4.17Å; W501-G541 PolarHBondContact N-O 3.2Å; W501-I543 HydrophobicContact CB-CD1 4.15Å; W501-I543 HydrophobicContact CD2-CD1 4.34Å; W501-I543 HydrophobicContact CE3-CD1 3.52Å; W501-I543 HydrophobicContact CZ3-CD1 4.34Å
502S89.8Confident91.2Very high58 Ų5841 Ų4141%0.40622%0.216SC..Hα-helixtrans-53.2-41.9172.554.80000113W500 S505 P539W500-S502 VanDerWaalsContact C-N 3.27Å; W500-S502 PolarHBondContact O-N 3.44Å; S502-S505 PolarHBondContact O-OG 2.98Å; S502-S505 VanDerWaalsContact O-OG 3.06Å; S502-P539 PolarHBondContact N-O 3.4Å
503Q91Very high91.3Very high76 Ų7643 Ų4336%0.35523%0.232SC..Hα-helixtrans-76.3-45.4177.1-66.2177.1-14.500112.1M482 W500 W501 S505 E506 V507M482-Q503 HydrophobicContact CG-CB 4.43Å; M482-Q503 HydrophobicContact SD-CB 4.33Å; W500-Q503 HydrophobicContact CB-CB 4.43Å; W500-Q503 HydrophobicContact CB-CG 4.24Å; W500-Q503 PolarHBondContact O-N 3.4Å; W501-Q503 VanDerWaalsContact C-N 3.26Å; W501-Q503 PolarHBondContact O-N 3.42Å; Q503-S505 PolarHBondContact O-N 2.92Å; Q503-E506 PolarHBondContact O-N 3.19Å; Q503-V507 WeakPolarHBondContact O-CG2 3.37Å; Q503-V507 PolarHBondContact O-N 2.85Å; Q503-V507 VanDerWaalsContact O-N 3.14Å
504L93.3Very high91.2Very high2 Ų245.4 Ų45.41%0.0125%0.249CC..Hα-helixtrans-66.7-38.6-177.4-177.462.5000112.1W479 M482 W500 W501 E506 V507 L508 L532 I543 F548W479-L504 HydrophobicContact CH2-CD2 4.43Å; W479-L504 HydrophobicContact CZ3-CD1 3.96Å; W479-L504 HydrophobicContact CZ3-CD2 4.14Å; M482-L504 HydrophobicContact CE-CD1 4.07Å; M482-L504 HydrophobicContact SD-CB 4.2Å; M482-L504 HydrophobicContact SD-CD1 4.03Å; W500-L504 PolarHBondContact O-N 3.06Å; W501-L504 HydrophobicContact CE3-CB 4.42Å; W501-L504 HydrophobicContact CE3-CD2 4.43Å; W501-L504 HydrophobicContact CZ3-CD2 4.47Å; W501-L504 PolarHBondContact O-N 2.93Å; L504-E506 VanDerWaalsContact C-N 3.32Å; L504-E506 PolarHBondContact O-N 3.43Å; L504-V507 PolarHBondContact O-N 3.35Å; L504-L508 HydrophobicContact CD1-CG 4.44Å; L504-L508 HydrophobicContact CG-CD1 4.25Å; L504-L508 HydrophobicContact CG-CG 4.35Å; L504-L508 WeakPolarHBondContact O-CB 3.29Å; L504-L508 VanDerWaalsContact O-CG 3.29Å; L504-L508 WeakPolarHBondContact O-CG 3.42Å; L504-L508 PolarHBondContact O-N 2.64Å; L504-L532 HydrophobicContact CD2-CD1 4.12Å; L504-I543 HydrophobicContact CD2-CB 4.47Å; L504-I543 HydrophobicContact CD2-CD1 3.62Å; L504-I543 HydrophobicContact CD2-CG2 4.29Å; L504-F548 HydrophobicContact CD1-CD2 4.34Å; L504-F548 HydrophobicContact CD1-CE2 3.88Å; L504-F548 HydrophobicContact CD1-CZ 4.33Å; L504-F548 HydrophobicContact CD2-CD2 4.08Å; L504-F548 HydrophobicContact CD2-CE2 4.31Å
505S92.6Very high91.3Very high17 Ų1742.7 Ų42.712%0.11924%0.235CC..Hα-helixtrans-62.1-39.4178.459.70000112.1W501 S502 Q503 L508 S509 L525W501-S505 WeakPolarHBondContact O-CB 3.36Å; W501-S505 PolarHBondContact O-N 3.3Å; W501-S505 PolarHBondContact O-OG 3.07Å; S502-S505 PolarHBondContact O-OG 2.98Å; S502-S505 VanDerWaalsContact O-OG 3.06Å; Q503-S505 PolarHBondContact O-N 2.92Å; S505-L508 PolarHBondContact O-N 3.01Å; S505-S509 PolarHBondContact O-N 3.2Å; S505-L525 WeakPolarHBondContact O-CD2 3.16Å
506E92.4Very high91.5Very high105 Ų10536.1 Ų36.149%0.49120%0.201SC..Hα-helixtrans-64.6-48.6174-169.3178.7-16200111.1Q503 L504 L508 S509 W510Q503-E506 PolarHBondContact O-N 3.19Å; L504-E506 VanDerWaalsContact C-N 3.32Å; L504-E506 PolarHBondContact O-N 3.43Å; E506-L508 VanDerWaalsContact C-N 3.3Å; E506-L508 PolarHBondContact O-N 3.06Å; E506-S509 WeakPolarHBondContact O-CA 3.31Å; E506-S509 WeakPolarHBondContact O-CB 3.36Å; E506-S509 PolarHBondContact O-N 3.21Å; E506-W510 HydrophobicContact CG-CD2 4.33Å; E506-W510 HydrophobicContact CG-CH2 4.32Å; E506-W510 HydrophobicContact CG-CZ2 3.57Å; E506-W510 VanDerWaalsContact O-CG 3.31Å; E506-W510 PolarHBondContact O-N 2.79Å; E506-W510 VanDerWaalsContact OE1-CZ2 3.28Å; E506-W510 WeakPolarHBondContact OE1-CZ2 3.35Å
507V94.1Very high91.3Very high6 Ų641.7 Ų41.74%0.03622%0.221CC..Hα-helixtrans-60.4-39177.11740000111.8I248 L478 M482 Q503 L504 W510 Q511I248-V507 HydrophobicContact CD1-CG1 4.3Å; I248-V507 HydrophobicContact CD1-CG2 4.08Å; L478-V507 HydrophobicContact CD2-CG1 4.02Å; M482-V507 HydrophobicContact CB-CG2 4.34Å; M482-V507 HydrophobicContact CG-CG2 3.96Å; M482-V507 HydrophobicContact SD-CB 4.29Å; M482-V507 HydrophobicContact SD-CG2 3.83Å; Q503-V507 WeakPolarHBondContact O-CG2 3.37Å; Q503-V507 PolarHBondContact O-N 2.85Å; Q503-V507 VanDerWaalsContact O-N 3.14Å; L504-V507 PolarHBondContact O-N 3.35Å; V507-W510 HydrophobicContact CB-CE3 4.38Å; V507-W510 HydrophobicContact CG2-CE3 3.92Å; V507-W510 HydrophobicContact CG2-CZ3 3.87Å; V507-W510 WeakPolarHBondContact O-CB 3.49Å; V507-W510 PolarHBondContact O-N 2.84Å; V507-Q511 VanDerWaalsContact O-CG 3.3Å; V507-Q511 WeakPolarHBondContact O-CG 3.45Å; V507-Q511 PolarHBondContact O-N 3.27Å; V507-Q511 VanDerWaalsContact O-N 3.16Å; V507-Q511 PolarHBondContact O-NE2 2.72Å
508L94.3Very high91.1Very high2 Ų242.6 Ų42.61%0.0122%0.217CC..Hα-helixtrans-62.2-46173.7-74.7174.5000110.9W501 L504 S505 E506 W510 Q511 F512 L520 F548 F560 W561 I564W501-L508 HydrophobicContact CH2-CD1 4.16Å; W501-L508 HydrophobicContact CZ3-CD1 3.98Å; L504-L508 HydrophobicContact CD1-CG 4.44Å; L504-L508 HydrophobicContact CG-CD1 4.25Å; L504-L508 HydrophobicContact CG-CG 4.35Å; L504-L508 WeakPolarHBondContact O-CB 3.29Å; L504-L508 VanDerWaalsContact O-CG 3.29Å; L504-L508 WeakPolarHBondContact O-CG 3.42Å; L504-L508 PolarHBondContact O-N 2.64Å; S505-L508 PolarHBondContact O-N 3.01Å; E506-L508 VanDerWaalsContact C-N 3.3Å; E506-L508 PolarHBondContact O-N 3.06Å; L508-W510 VanDerWaalsContact C-N 3.27Å; L508-W510 PolarHBondContact O-N 3.18Å; L508-Q511 WeakPolarHBondContact O-CB 3.49Å; L508-Q511 PolarHBondContact O-N 3.09Å; L508-F512 WeakPolarHBondContact O-CD2 3.44Å; L508-F512 PolarHBondContact O-N 3.06Å; L508-L520 HydrophobicContact CB-CD1 4.19Å; L508-F548 HydrophobicContact CD2-CE2 4.45Å; L508-F560 HydrophobicContact CD1-CE1 4.11Å; L508-F560 HydrophobicContact CD1-CZ 4.11Å; L508-F560 HydrophobicContact CD2-CE1 4.21Å; L508-W561 HydrophobicContact CD2-CE3 4.25Å; L508-W561 HydrophobicContact CD2-CZ3 3.96Å; L508-I564 HydrophobicContact CD2-CG2 4.46Å
509S94.4Very high91.1Very high23 Ų2340.7 Ų40.716%0.16121%0.207CC..Hα-helixtrans-58-41.5176.2-1650000111.8S505 E506 Q511 F512 S513 L520S505-S509 PolarHBondContact O-N 3.2Å; E506-S509 WeakPolarHBondContact O-CA 3.31Å; E506-S509 WeakPolarHBondContact O-CB 3.36Å; E506-S509 PolarHBondContact O-N 3.21Å; S509-Q511 VanDerWaalsContact C-N 3.28Å; S509-Q511 PolarHBondContact O-N 3.48Å; S509-F512 PolarHBondContact O-N 2.89Å; S509-F512 VanDerWaalsContact O-N 3.07Å; S509-S513 PolarHBondContact O-N 2.98Å; S509-S513 PolarHBondContact O-OG 3.44Å; S509-L520 PolarHBondContact OG-N 3.46Å; S509-L520 PolarHBondContact OG-O 3.15Å
510W93.6Very high91.1Very high42 Ų4241.3 Ų41.316%0.15921%0.211CC..Hα-helixtrans-59.4-33.5174.3-66.1-12.8000113.7I248 G249 E506 V507 L508 F512 S513 S514I248-W510 HydrophobicContact CD1-CE3 4.41Å; I248-W510 HydrophobicContact CD1-CZ3 4.15Å; I248-W510 HydrophobicContact CG1-CE3 4.33Å; I248-W510 HydrophobicContact CG1-CZ3 4.33Å; G249-W510 WeakPolarHBondContact O-CB 3.45Å; E506-W510 HydrophobicContact CG-CD2 4.33Å; E506-W510 HydrophobicContact CG-CH2 4.32Å; E506-W510 HydrophobicContact CG-CZ2 3.57Å; E506-W510 VanDerWaalsContact O-CG 3.31Å; E506-W510 PolarHBondContact O-N 2.79Å; E506-W510 VanDerWaalsContact OE1-CZ2 3.28Å; E506-W510 WeakPolarHBondContact OE1-CZ2 3.35Å; V507-W510 HydrophobicContact CB-CE3 4.38Å; V507-W510 HydrophobicContact CG2-CE3 3.92Å; V507-W510 HydrophobicContact CG2-CZ3 3.87Å; V507-W510 WeakPolarHBondContact O-CB 3.49Å; V507-W510 PolarHBondContact O-N 2.84Å; L508-W510 VanDerWaalsContact C-N 3.27Å; L508-W510 PolarHBondContact O-N 3.18Å; W510-F512 VanDerWaalsContact C-N 3.27Å; W510-F512 PolarHBondContact O-N 3.15Å; W510-S513 WeakPolarHBondContact CA-OG 3.37Å; W510-S513 PolarHBondContact O-N 3.28Å; W510-S513 PolarHBondContact O-OG 3.26Å; W510-S514 VanDerWaalsContact O-CB 3.25Å; W510-S514 WeakPolarHBondContact O-CB 3.43Å; W510-S514 PolarHBondContact O-N 3.39Å; W510-S514 PolarHBondContact O-OG 3.31Å
511Q94.1Very high91Very high0 Ų038.6 Ų38.60%020%0.204CC..Hα-helixtrans-65-33.8176.1-54.6-46.2-66.800111.9I248 L478 V507 L508 S509 S514 V515 W561 L568I248-Q511 PolarHBondContact O-NE2 2.87Å; L478-Q511 HydrophobicContact CD1-CG 4.29Å; V507-Q511 VanDerWaalsContact O-CG 3.3Å; V507-Q511 WeakPolarHBondContact O-CG 3.45Å; V507-Q511 PolarHBondContact O-N 3.27Å; V507-Q511 VanDerWaalsContact O-N 3.16Å; V507-Q511 PolarHBondContact O-NE2 2.72Å; L508-Q511 WeakPolarHBondContact O-CB 3.49Å; L508-Q511 PolarHBondContact O-N 3.09Å; S509-Q511 VanDerWaalsContact C-N 3.28Å; S509-Q511 PolarHBondContact O-N 3.48Å; Q511-S514 PolarHBondContact O-OG 3.07Å; Q511-V515 WeakPolarHBondContact O-CG2 3.47Å; Q511-W561 HydrophobicContact CB-CH2 4.26Å; Q511-W561 HydrophobicContact CG-CH2 3.7Å; Q511-W561 HydrophobicContact CG-CZ3 3.91Å; Q511-L568 HydrophobicContact CB-CD1 3.8Å
512F92.9Very high90.9Very high0 Ų041.3 Ų41.30%023%0.232CC..Hα-helixtrans-79-43.7176.3-74.3-100.8000111.5L508 S509 W510 S514 V515 T516 R518 L520 I564 I567 L568 I571 W579 F587L508-F512 WeakPolarHBondContact O-CD2 3.44Å; L508-F512 PolarHBondContact O-N 3.06Å; S509-F512 PolarHBondContact O-N 2.89Å; S509-F512 VanDerWaalsContact O-N 3.07Å; W510-F512 VanDerWaalsContact C-N 3.27Å; W510-F512 PolarHBondContact O-N 3.15Å; F512-S514 VanDerWaalsContact C-N 3.31Å; F512-S514 PolarHBondContact O-N 3.42Å; F512-V515 PolarHBondContact O-N 2.7Å; F512-T516 WeakPolarHBondContact O-CA 3.18Å; F512-T516 WeakPolarHBondContact O-CB 3.45Å; F512-T516 PolarHBondContact O-N 2.75Å; F512-T516 PolarHBondContact O-OG1 2.72Å; F512-R518 CarbonylContact C-O 3.5Å; F512-L520 HydrophobicContact CB-CG 4.41Å; F512-L520 HydrophobicContact CD1-CD2 4Å; F512-L520 HydrophobicContact CD2-CD1 3.77Å; F512-L520 HydrophobicContact CD2-CD2 3.84Å; F512-L520 HydrophobicContact CD2-CG 3.69Å; F512-L520 HydrophobicContact CE1-CD2 4.13Å; F512-L520 HydrophobicContact CE2-CD1 3.85Å; F512-L520 HydrophobicContact CE2-CD2 4Å; F512-L520 HydrophobicContact CE2-CG 4.13Å; F512-L520 HydrophobicContact CG-CD2 3.86Å; F512-L520 HydrophobicContact CG-CG 3.98Å; F512-L520 HydrophobicContact CZ-CD2 4.15Å; F512-I564 HydrophobicContact CE2-CG2 3.93Å; F512-I564 HydrophobicContact CZ-CG2 4.21Å; F512-I567 HydrophobicContact CE1-CG2 4.48Å; F512-L568 HydrophobicContact CB-CD2 4.26Å; F512-L568 HydrophobicContact CD1-CD2 3.45Å; F512-L568 VanDerWaalsContact CD1-CD2 3.45Å; F512-L568 HydrophobicContact CD1-CG 4.4Å; F512-L568 HydrophobicContact CD2-CD2 3.85Å; F512-L568 HydrophobicContact CD2-CG 4.43Å; F512-L568 HydrophobicContact CE1-CD2 3.56Å; F512-L568 HydrophobicContact CE1-CG 4.06Å; F512-L568 HydrophobicContact CE2-CD1 4.24Å; F512-L568 HydrophobicContact CE2-CD2 3.94Å; F512-L568 HydrophobicContact CE2-CG 4.07Å; F512-L568 HydrophobicContact CG-CD2 3.59Å; F512-L568 HydrophobicContact CZ-CD1 4.49Å; F512-L568 HydrophobicContact CZ-CD2 3.79Å; F512-L568 HydrophobicContact CZ-CG 3.85Å; F512-I571 HydrophobicContact CD1-CD1 4.03Å; F512-I571 HydrophobicContact CE1-CD1 3.61Å; F512-W579 HydrophobicContact CB-CZ2 4.44Å; F512-W579 AromaticContact CD1-CE2 3.96Å; F512-W579 HydrophobicContact CD1-CH2 4.04Å; F512-W579 AromaticContact CD1-CZ2 3.46Å; F512-W579 HydrophobicContact CD1-CZ2 3.46Å; F512-W579 VanDerWaalsContact CD1-CZ2 3.46Å; F512-W579 HydrophobicContact CE1-CH2 4.23Å; F512-W579 HydrophobicContact CE1-CZ2 4.11Å; F512-W579 HydrophobicContact CG-CZ2 4.23Å; F512-F587 AromaticContact CE1-CE2 3.93Å; F512-F587 HydrophobicContact CE1-CE2 3.93Å; F512-F587 HydrophobicContact CE1-CZ 4.24Å; F512-F587 HydrophobicContact CE2-CE2 4.46Å; F512-F587 AromaticContact CZ-CE2 3.67Å; F512-F587 HydrophobicContact CZ-CE2 3.67Å; F512-F587 AromaticContact CZ-CZ 3.71Å; F512-F587 HydrophobicContact CZ-CZ 3.71Å
513S89.4Confident90.8Very high52 Ų5242.4 Ų42.436%0.36423%0.233SC..Hα-helixtrans-73.9-18.3-178.364.30000114.3S509 W510 T516 R518S509-S513 PolarHBondContact O-N 2.98Å; S509-S513 PolarHBondContact O-OG 3.44Å; W510-S513 WeakPolarHBondContact CA-OG 3.37Å; W510-S513 PolarHBondContact O-N 3.28Å; W510-S513 PolarHBondContact O-OG 3.26Å; S513-T516 CarbonylContact C-O 3.58Å; S513-T516 VanDerWaalsContact C-O 3.3Å; S513-R518 PolarHBondContact N-O 3.26Å
514S87.1Confident90.9Very high56 Ų5639 Ų3939%0.39222%0.217SC..THydrogen-bonded Turntrans-84.1-20.8173.658.80000113.2W510 Q511 F512W510-S514 VanDerWaalsContact O-CB 3.25Å; W510-S514 WeakPolarHBondContact O-CB 3.43Å; W510-S514 PolarHBondContact O-N 3.39Å; W510-S514 PolarHBondContact O-OG 3.31Å; Q511-S514 PolarHBondContact O-OG 3.07Å; F512-S514 VanDerWaalsContact C-N 3.31Å; F512-S514 PolarHBondContact O-N 3.42Å
515V87.7Confident90.8Very high20 Ų2040.3 Ų40.312%0.12122%0.224CC..THydrogen-bonded Turntrans-100.8-27.1178.7178.20000111.6Q511 F512 K572Q511-V515 WeakPolarHBondContact O-CG2 3.47Å; F512-V515 PolarHBondContact O-N 2.7Å; V515-K572 HydrophobicContact CG1-CB 3.85Å; V515-K572 HydrophobicContact CG1-CD 3.9Å; V515-K572 HydrophobicContact CG1-CG 3.91Å
516T89.1Confident90.7Very high11 Ų1142.6 Ų42.67%0.06724%0.24CC..SBendtrans-132.3172.3-174.680.10000110.4F512 S513 R518 I571 L576 W579 N580F512-T516 WeakPolarHBondContact O-CA 3.18Å; F512-T516 WeakPolarHBondContact O-CB 3.45Å; F512-T516 PolarHBondContact O-N 2.75Å; F512-T516 PolarHBondContact O-OG1 2.72Å; S513-T516 CarbonylContact C-O 3.58Å; S513-T516 VanDerWaalsContact C-O 3.3Å; T516-R518 PolarHBondContact O-N 3.38Å; T516-R518 PolarHBondContact OG1-N 2.83Å; T516-R518 PolarHBondContact OG1-O 2.93Å; T516-I571 HydrophobicContact CG2-CG2 3.76Å; T516-L576 HydrophobicContact CG2-CD1 3.9Å; T516-W579 VanDerWaalsContact OG1-CD1 3.25Å; T516-W579 PolarHBondContact OG1-NE1 3.34Å; T516-N580 WeakPolarHBondContact CB-OD1 3.34Å
517K83.9Confident90.6Very high156 Ų15638.3 Ų38.368%0.67822%0.22SC*.SBendtrans-77.3-3.7179.3-63.9-173.8177.1-174.90113.9N580K517-N580 HydrophobicContact CB-CB 4.23Å; K517-N580 PolarHBondContact N-OD1 3.3Å
518R86.7Confident90.5Very high76 Ų7638 Ų3829%0.28722%0.218SC..  trans-139.1147.7-178.869.7171-63.7125.2-4.8112.7F512 S513 T516 W579F512-R518 CarbonylContact C-O 3.5Å; S513-R518 PolarHBondContact N-O 3.26Å; T516-R518 PolarHBondContact O-N 3.38Å; T516-R518 PolarHBondContact OG1-N 2.83Å; T516-R518 PolarHBondContact OG1-O 2.93Å; R518-W579 WeakPolarHBondContact CD-O 3.43Å; R518-W579 HydrophobicContact CG-CG 4.42Å; R518-W579 HydrophobicContact CG-CZ2 4.49Å; R518-W579 PolarHBondContact O-NE1 2.95Å
519G90.5Very high90.2Very high18 Ų1838 Ų3819%0.18622%0.218CC..  trans-86.8-161.4171.200000113.2
520L92.4Very high90Very high14 Ų1440.3 Ų40.37%0.07323%0.227CC..  trans-89.5141.8172.3-61.2174.9000110.9L508 S509 F512 Q524 L525 L528 W579 F587L508-L520 HydrophobicContact CB-CD1 4.19Å; S509-L520 PolarHBondContact OG-N 3.46Å; S509-L520 PolarHBondContact OG-O 3.15Å; F512-L520 HydrophobicContact CB-CG 4.41Å; F512-L520 HydrophobicContact CD1-CD2 4Å; F512-L520 HydrophobicContact CD2-CD1 3.77Å; F512-L520 HydrophobicContact CD2-CD2 3.84Å; F512-L520 HydrophobicContact CD2-CG 3.69Å; F512-L520 HydrophobicContact CE1-CD2 4.13Å; F512-L520 HydrophobicContact CE2-CD1 3.85Å; F512-L520 HydrophobicContact CE2-CD2 4Å; F512-L520 HydrophobicContact CE2-CG 4.13Å; F512-L520 HydrophobicContact CG-CD2 3.86Å; F512-L520 HydrophobicContact CG-CG 3.98Å; F512-L520 HydrophobicContact CZ-CD2 4.15Å; L520-Q524 VanDerWaalsContact CA-OE1 3.31Å; L520-Q524 HydrophobicContact CB-CB 4.41Å; L520-Q524 HydrophobicContact CD2-CB 4.31Å; L520-L525 HydrophobicContact CB-CD2 3.8Å; L520-L525 HydrophobicContact CB-CG 3.91Å; L520-L525 HydrophobicContact CD1-CD2 3.75Å; L520-L525 HydrophobicContact CG-CD2 4.45Å; L520-L528 HydrophobicContact CD1-CD1 3.76Å; L520-W579 HydrophobicContact CD2-CH2 3.9Å; L520-W579 HydrophobicContact CD2-CZ2 4.06Å; L520-F587 HydrophobicContact CD2-CD2 3.85Å; L520-F587 HydrophobicContact CD2-CE2 3.69Å
521N90.1Very high89.7Confident54 Ų5439.3 Ų39.329%0.28922%0.223SC..  trans-91.6172.8175.369.324000112.1D523 Q524 L525N521-D523 VanDerWaalsContact C-N 3.29Å; N521-D523 PolarHBondContact O-N 3.08Å; N521-D523 PolarHBondContact OD1-N 3.03Å; N521-Q524 PolarHBondContact O-N 3.07Å; N521-Q524 VanDerWaalsContact OD1-CB 3.32Å; N521-Q524 WeakPolarHBondContact OD1-CB 3.33Å; N521-Q524 WeakPolarHBondContact OD1-CG 3.37Å; N521-Q524 PolarHBondContact OD1-N 3.35Å; N521-Q524 PolarHBondContact OD1-OE1 3.38Å; N521-L525 WeakPolarHBondContact O-CB 3.44Å; N521-L525 VanDerWaalsContact O-CG 3.27Å; N521-L525 WeakPolarHBondContact O-CG 3.47Å; N521-L525 PolarHBondContact O-N 3.31Å
522A89.1Confident89.3Confident80 Ų8039.7 Ų39.766%0.66123%0.225SC*.Hα-helixtrans-58.3-37.9-177.200000113.4S526A522-S526 WeakPolarHBondContact O-CB 3.45Å; A522-S526 PolarHBondContact O-N 2.94Å
523D88.6Confident89Confident81 Ų8141.6 Ų41.643%0.43324%0.235SC..Hα-helixtrans-69.4-44.1179.6-70.2-41.4000112.5N521 L525 S526 M527 R592N521-D523 VanDerWaalsContact C-N 3.29Å; N521-D523 PolarHBondContact O-N 3.08Å; N521-D523 PolarHBondContact OD1-N 3.03Å; D523-L525 VanDerWaalsContact C-N 3.34Å; D523-S526 PolarHBondContact O-N 2.79Å; D523-M527 PolarHBondContact O-N 2.99Å; D523-M527 VanDerWaalsContact O-N 3.14Å; D523-R592 VanDerWaalsContact CG-NH2 3.32Å; D523-R592 IonicContact OD1-CZ 3.75Å; D523-R592 VanDerWaalsContact OD1-CZ 3.25Å; D523-R592 IonicContact OD1-NH1 3.99Å; D523-R592 PolarHBondContact OD1-NH1 3.16Å; D523-R592 IonicContact OD1-NH2 2.91Å; D523-R592 PolarHBondContact OD1-NH2 3.46Å; D523-R592 IonicContact OD2-NH2 3.25Å
524Q92.6Very high88.8Confident4 Ų440.2 Ų40.22%0.01923%0.23CC..Hα-helixtrans-62.4-43.6175.5-71.3166.5-20.700110.8L520 N521 M527 L528 M585 F587L520-Q524 VanDerWaalsContact CA-OE1 3.31Å; L520-Q524 HydrophobicContact CB-CB 4.41Å; L520-Q524 HydrophobicContact CD2-CB 4.31Å; N521-Q524 PolarHBondContact O-N 3.07Å; N521-Q524 VanDerWaalsContact OD1-CB 3.32Å; N521-Q524 WeakPolarHBondContact OD1-CB 3.33Å; N521-Q524 WeakPolarHBondContact OD1-CG 3.37Å; N521-Q524 PolarHBondContact OD1-N 3.35Å; N521-Q524 PolarHBondContact OD1-OE1 3.38Å; Q524-M527 PolarHBondContact O-N 2.92Å; Q524-L528 WeakPolarHBondContact O-CG 3.3Å; Q524-L528 PolarHBondContact O-N 2.98Å; Q524-L528 VanDerWaalsContact O-N 3.16Å; Q524-M585 WeakPolarHBondContact CG-O 3.22Å; Q524-M585 PolarHBondContact NE2-O 3.46Å; Q524-F587 HydrophobicContact CB-CB 4.07Å; Q524-F587 HydrophobicContact CB-CD2 4.21Å; Q524-F587 HydrophobicContact CG-CB 4.18Å; Q524-F587 HydrophobicContact CG-CD2 4.3Å
525L92.2Very high88.1Confident30 Ų3043 Ų4316%0.15725%0.246CC..Hα-helixtrans-63.9-45.9175.8-69.9174.3000110.8W501 S505 L520 N521 D523 M527 L528 G529W501-L525 HydrophobicContact CZ2-CB 4.22Å; W501-L525 WeakPolarHBondContact CZ2-O 3.35Å; S505-L525 WeakPolarHBondContact O-CD2 3.16Å; L520-L525 HydrophobicContact CB-CD2 3.8Å; L520-L525 HydrophobicContact CB-CG 3.91Å; L520-L525 HydrophobicContact CD1-CD2 3.75Å; L520-L525 HydrophobicContact CG-CD2 4.45Å; N521-L525 WeakPolarHBondContact O-CB 3.44Å; N521-L525 VanDerWaalsContact O-CG 3.27Å; N521-L525 WeakPolarHBondContact O-CG 3.47Å; N521-L525 PolarHBondContact O-N 3.31Å; D523-L525 VanDerWaalsContact C-N 3.34Å; L525-M527 VanDerWaalsContact C-N 3.27Å; L525-M527 PolarHBondContact O-N 3.48Å; L525-L528 PolarHBondContact O-N 2.92Å; L525-L528 VanDerWaalsContact O-N 3.07Å; L525-G529 PolarHBondContact O-N 2.89Å
526S89.5Confident87.1Confident64 Ų6449.4 Ų49.445%0.44828%0.28SS..Hα-helixtrans-55.3-43178.6-171.50000112.2A522 D523 G529 E530A522-S526 WeakPolarHBondContact O-CB 3.45Å; A522-S526 PolarHBondContact O-N 2.94Å; D523-S526 PolarHBondContact O-N 2.79Å; S526-G529 PolarHBondContact O-N 3.39Å; S526-E530 WeakPolarHBondContact O-CB 3.29Å; S526-E530 PolarHBondContact O-N 3.46Å
527M90.9Very high86.2Confident15 Ų1550.8 Ų50.87%0.07429%0.292CS..Hα-helixtrans-65.3-41.6177.1-176.8-85.2-16900112.3D523 Q524 L525 G529 E530 K531 F587 E611D523-M527 PolarHBondContact O-N 2.99Å; D523-M527 VanDerWaalsContact O-N 3.14Å; Q524-M527 PolarHBondContact O-N 2.92Å; L525-M527 VanDerWaalsContact C-N 3.27Å; L525-M527 PolarHBondContact O-N 3.48Å; M527-G529 VanDerWaalsContact C-N 3.34Å; M527-E530 PolarHBondContact O-N 3.14Å; M527-K531 WeakPolarHBondContact O-CB 3.14Å; M527-K531 PolarHBondContact O-N 3.33Å; M527-F587 HydrophobicContact SD-CB 4.07Å; M527-E611 HydrophobicContact CE-CG 4.06Å; M527-E611 WeakPolarHBondContact CE-OE1 3.45Å
528L91.1Very high85.6Confident0 Ų044.7 Ų44.70%027%0.273CS..Hα-helixtrans-67-36.8176.1-68.3176.9000112.3W501 L520 Q524 L525 K531 L532 F560 W563 I564 F587W501-L528 HydrophobicContact CH2-CB 3.9Å; L520-L528 HydrophobicContact CD1-CD1 3.76Å; Q524-L528 WeakPolarHBondContact O-CG 3.3Å; Q524-L528 PolarHBondContact O-N 2.98Å; Q524-L528 VanDerWaalsContact O-N 3.16Å; L525-L528 PolarHBondContact O-N 2.92Å; L525-L528 VanDerWaalsContact O-N 3.07Å; L528-K531 PolarHBondContact O-N 3.29Å; L528-L532 PolarHBondContact O-N 3.34Å; L528-L532 VanDerWaalsContact O-N 3.17Å; L528-F560 HydrophobicContact CB-CZ 4.5Å; L528-F560 HydrophobicContact CD2-CE2 4Å; L528-F560 HydrophobicContact CD2-CZ 4.14Å; L528-W563 HydrophobicContact CD2-CH2 4.03Å; L528-W563 HydrophobicContact CD2-CZ3 3.83Å; L528-I564 HydrophobicContact CD1-CD1 4.41Å; L528-I564 HydrophobicContact CD2-CD1 3.88Å; L528-F587 HydrophobicContact CD1-CD1 4.46Å; L528-F587 HydrophobicContact CD1-CD2 4.38Å; L528-F587 HydrophobicContact CD1-CG 4.33Å; L528-F587 HydrophobicContact CD2-CD1 3.62Å; L528-F587 HydrophobicContact CD2-CE1 3.92Å; L528-F587 HydrophobicContact CD2-CG 4.15Å; L528-F587 HydrophobicContact CG-CB 4.45Å; L528-F587 HydrophobicContact CG-CD1 4.18Å; L528-F587 HydrophobicContact CG-CG 4.21Å
529G89.3Confident84.8Confident1 Ų145.1 Ų45.11%0.0129%0.286CS..Hα-helixtrans-64.1-47.2174.900000111.2W501 L525 S526 M527 K531 L532 L533W501-G529 VanDerWaalsContact CZ2-CA 3.44Å; L525-G529 PolarHBondContact O-N 2.89Å; S526-G529 PolarHBondContact O-N 3.39Å; M527-G529 VanDerWaalsContact C-N 3.34Å; G529-K531 VanDerWaalsContact C-N 3.27Å; G529-K531 PolarHBondContact O-N 3.29Å; G529-L532 PolarHBondContact O-N 2.99Å; G529-L532 VanDerWaalsContact O-N 3.11Å; G529-L533 WeakPolarHBondContact O-CB 3.29Å; G529-L533 PolarHBondContact O-N 2.84Å
530E88.6Confident84.3Confident73 Ų7349.9 Ų49.934%0.34131%0.307SS..Hα-helixtrans-58.8-39.6173.9-172.2-176.5172.200111.7S526 M527 L532 G534S526-E530 WeakPolarHBondContact O-CB 3.29Å; S526-E530 PolarHBondContact O-N 3.46Å; M527-E530 PolarHBondContact O-N 3.14Å; E530-L532 VanDerWaalsContact C-N 3.27Å; E530-L532 PolarHBondContact O-N 2.98Å; E530-G534 WeakPolarHBondContact CA-O 3.5Å; E530-G534 CarbonylContact O-C 3.5Å; E530-G534 WeakPolarHBondContact O-CA 3.47Å; E530-G534 PolarHBondContact O-N 3.25Å
531K87.6Confident83.9Confident21 Ų2150 Ų509%0.09131%0.312CS..Hα-helixtrans-65.8-27.4177.7-169.6165.1-177.4164.40113.7M527 L528 G529 I553 W563 E611M527-K531 WeakPolarHBondContact O-CB 3.14Å; M527-K531 PolarHBondContact O-N 3.33Å; L528-K531 PolarHBondContact O-N 3.29Å; G529-K531 VanDerWaalsContact C-N 3.27Å; G529-K531 PolarHBondContact O-N 3.29Å; K531-I553 HydrophobicContact CG-CG2 4.13Å; K531-W563 HydrophobicContact CD-CH2 4.05Å; K531-W563 HydrophobicContact CD-CZ3 3.92Å; K531-W563 VanDerWaalsContact NZ-CZ2 3.34Å; K531-E611 WeakPolarHBondContact CE-OE2 3.42Å; K531-E611 IonicContact NZ-OE2 3.02Å; K531-E611 PolarHBondContact NZ-OE2 3.4Å
532L87Confident83.9Confident7 Ų751.5 Ų51.54%0.03732%0.32CS..Hα-helixtrans-95.2-35.1179.1-73.9174000113.5W501 L504 L528 G529 E530 I543 R547 F560W501-L532 HydrophobicContact CE3-CD1 4.48Å; W501-L532 HydrophobicContact CZ3-CD1 3.96Å; L504-L532 HydrophobicContact CD2-CD1 4.12Å; L528-L532 PolarHBondContact O-N 3.34Å; L528-L532 VanDerWaalsContact O-N 3.17Å; G529-L532 PolarHBondContact O-N 2.99Å; G529-L532 VanDerWaalsContact O-N 3.11Å; E530-L532 VanDerWaalsContact C-N 3.27Å; E530-L532 PolarHBondContact O-N 2.98Å; L532-I543 HydrophobicContact CB-CD1 4.26Å; L532-I543 HydrophobicContact CD1-CD1 3.98Å; L532-R547 HydrophobicContact CD2-CG 4.21Å; L532-R547 WeakPolarHBondContact O-CD 3.37Å; L532-R547 PolarHBondContact O-NH1 3.01Å; L532-F560 HydrophobicContact CD1-CD1 4.23Å; L532-F560 HydrophobicContact CD1-CD2 4.32Å; L532-F560 HydrophobicContact CD1-CE1 3.87Å; L532-F560 HydrophobicContact CD1-CE2 3.96Å; L532-F560 HydrophobicContact CD1-CG 4.45Å; L532-F560 HydrophobicContact CD1-CZ 3.73Å; L532-F560 HydrophobicContact CD2-CB 4.03Å; L532-F560 HydrophobicContact CD2-CD1 4.11Å; L532-F560 HydrophobicContact CD2-CD2 3.64Å; L532-F560 HydrophobicContact CD2-CE2 4.09Å; L532-F560 HydrophobicContact CD2-CG 3.66Å; L532-F560 HydrophobicContact CG-CD2 3.94Å; L532-F560 HydrophobicContact CG-CE2 3.86Å; L532-F560 HydrophobicContact CG-CG 4.32Å; L532-F560 HydrophobicContact CG-CZ 4.17Å
533L86Confident84Confident40 Ų4047.7 Ų47.721%0.20929%0.288CS..Hα-helixtrans-108.9-13.8-173.2-67.1170000113.2W501 G529 A537 I543W501-L533 HydrophobicContact CB-CD1 3.95Å; W501-L533 HydrophobicContact CG-CD1 4.17Å; G529-L533 WeakPolarHBondContact O-CB 3.29Å; G529-L533 PolarHBondContact O-N 2.84Å; L533-A537 HydrophobicContact CB-CB 4.06Å; L533-A537 HydrophobicContact CD1-CB 4.28Å; L533-I543 HydrophobicContact CD2-CD1 4.49Å; L533-I543 HydrophobicContact CD2-CG1 3.7Å; L533-I543 HydrophobicContact CG-CD1 4.38Å; L533-I543 HydrophobicContact CG-CG1 4.1Å
534G84.1Confident84.1Confident24 Ų2445.8 Ų45.825%0.24728%0.28CS..  trans85.7-173.8-170.800000112.9E530 N536 A537E530-G534 WeakPolarHBondContact CA-O 3.5Å; E530-G534 CarbonylContact O-C 3.5Å; E530-G534 WeakPolarHBondContact O-CA 3.47Å; E530-G534 PolarHBondContact O-N 3.25Å; G534-N536 PolarHBondContact O-N 2.83Å; G534-A537 PolarHBondContact O-N 3.29Å
535P73.9Confident84.1Confident114 Ų11445.8 Ų45.874%0.7428%0.28SS*.THydrogen-bonded Turntrans-61.9-16.7-173.721.1-31.8000115A537P535-A537 PolarHBondContact O-N 3.05Å
536N66.1Low84Confident155 Ų15546.8 Ų46.883%0.82929%0.287SS*.THydrogen-bonded Turntrans-97.237.1176-65.5-24.4000112.4G534 G538G534-N536 PolarHBondContact O-N 2.83Å; N536-G538 PolarHBondContact O-N 2.96Å
537A70.1Confident83.9Confident40 Ų4048.4 Ų48.433%0.33128%0.283SS..  trans-66.2100.9-179.500000111.4L533 G534 P535L533-A537 HydrophobicContact CB-CB 4.06Å; L533-A537 HydrophobicContact CD1-CB 4.28Å; G534-A537 PolarHBondContact O-N 3.29Å; P535-A537 PolarHBondContact O-N 3.05Å
538G71.4Confident83.8Confident27 Ų2747.7 Ų47.728%0.27828%0.28SS..  trans-93.7160.717000000112.6N536 D540 G541N536-G538 PolarHBondContact O-N 2.96Å; G538-D540 PolarHBondContact O-N 3.28Å; G538-G541 PolarHBondContact O-N 3.17Å; G538-G541 VanDerWaalsContact O-N 3.09Å
539P70.2Confident83.6Confident86 Ų8648.5 Ų48.556%0.55829%0.286SS*.THydrogen-bonded Turntrans-59.5-27.2174.824.2-32.7000113.1S502 G541S502-P539 PolarHBondContact N-O 3.4Å; P539-G541 VanDerWaalsContact C-N 3.34Å
540D78.3Confident83.3Confident117 Ų11753 Ų5363%0.62631%0.305SS*.THydrogen-bonded Turntrans-91.19.4179.7-60.5-36.5000113.7W500 G538 L542W500-D540 HydrophobicContact CE3-CB 4.34Å; W500-D540 HydrophobicContact CZ3-CB 4.07Å; G538-D540 PolarHBondContact O-N 3.28Å; D540-L542 PolarHBondContact O-N 2.94Å
541G85.7Confident83Confident16 Ų1653.7 Ų53.717%0.16531%0.308CS..  trans-64.3127.9178.600000111.9W501 G538 P539W501-G541 PolarHBondContact N-O 3.2Å; G538-G541 PolarHBondContact O-N 3.17Å; G538-G541 VanDerWaalsContact O-N 3.09Å; P539-G541 VanDerWaalsContact C-N 3.34Å
542L89.6Confident82.6Confident87 Ų8757.1 Ų57.146%0.45533%0.328SS..EExtended strand (participates in β ladder)trans-90.5129.5177.1-72171.2000111C498 A499 W500 D540C498-L542 HydrophobicContact CB-CB 4.08Å; C498-L542 HydrophobicContact CB-CD2 4.15Å; A499-L542 CarbonylContact O-C 3.52Å; A499-L542 WeakPolarHBondContact O-CA 3.48Å; W500-L542 HydrophobicContact CD2-CD2 3.7Å; W500-L542 HydrophobicContact CE3-CD2 3.93Å; W500-L542 HydrophobicContact CE3-CG 4.44Å; W500-L542 HydrophobicContact CG-CD2 4.13Å; W500-L542 HydrophobicContact CH2-CD2 4.37Å; W500-L542 HydrophobicContact CZ2-CD2 4.15Å; W500-L542 HydrophobicContact CZ3-CD2 4.25Å; W500-L542 HydrophobicContact CZ3-CG 4.47Å; D540-L542 PolarHBondContact O-N 2.94Å
543I91.1Very high82Confident0 Ų057.4 Ų57.40%033%0.329CS..EExtended strand (participates in β ladder)trans-113.7117-176.9-59.9166.3000108.7W479 C498 A499 W501 L504 L532 L533W479-I543 HydrophobicContact CH2-CB 4.45Å; W479-I543 HydrophobicContact CH2-CG2 4.12Å; W479-I543 VanDerWaalsContact CZ2-O 3.3Å; W479-I543 WeakPolarHBondContact CZ2-O 3.4Å; C498-I543 WeakPolarHBondContact CA-O 3.41Å; A499-I543 PolarHBondContact N-O 2.9Å; A499-I543 PolarHBondContact O-N 3.25Å; W501-I543 HydrophobicContact CB-CD1 4.15Å; W501-I543 HydrophobicContact CD2-CD1 4.34Å; W501-I543 HydrophobicContact CE3-CD1 3.52Å; W501-I543 HydrophobicContact CZ3-CD1 4.34Å; L504-I543 HydrophobicContact CD2-CB 4.47Å; L504-I543 HydrophobicContact CD2-CD1 3.62Å; L504-I543 HydrophobicContact CD2-CG2 4.29Å; L532-I543 HydrophobicContact CB-CD1 4.26Å; L532-I543 HydrophobicContact CD1-CD1 3.98Å; L533-I543 HydrophobicContact CD2-CD1 4.49Å; L533-I543 HydrophobicContact CD2-CG1 3.7Å; L533-I543 HydrophobicContact CG-CD1 4.38Å; L533-I543 HydrophobicContact CG-CG1 4.1Å
544P91.6Very high81.1Confident41 Ų4161 Ų6127%0.26635%0.349SS..  trans-67.4148.2173.8-20.733.1000112.3T546 R547 F548P544-T546 PolarHBondContact O-N 2.88Å; P544-R547 PolarHBondContact O-N 3.49Å; P544-R547 VanDerWaalsContact O-N 3.14Å; P544-F548 PolarHBondContact O-N 3.4Å
545W91.5Very high80.1Confident4 Ų468 Ų682%0.01538%0.38CS..Hα-helixtrans-53.9-38.6172.3167.3-115000112.6E428 A475 W479 F493 P496 R547 F548 C549E428-W545 HydrophobicContact CG-CZ2 4.23Å; E428-W545 WeakPolarHBondContact OE1-CZ2 3.49Å; E428-W545 PolarHBondContact OE1-NE1 3.34Å; A475-W545 HydrophobicContact CB-CH2 3.82Å; A475-W545 HydrophobicContact CB-CZ3 4.2Å; A475-W545 WeakPolarHBondContact O-CZ3 3.37Å; W479-W545 HydrophobicContact CB-CE3 3.71Å; W479-W545 HydrophobicContact CB-CZ3 3.57Å; W479-W545 AromaticContact CD1-CE3 3.83Å; W479-W545 HydrophobicContact CD2-CD2 4.49Å; W479-W545 AromaticContact CD2-CE3 3.46Å; W479-W545 HydrophobicContact CD2-CE3 3.46Å; W479-W545 VanDerWaalsContact CD2-CE3 3.46Å; W479-W545 HydrophobicContact CD2-CZ3 4.05Å; W479-W545 AromaticContact CE2-CE3 3.96Å; W479-W545 AromaticContact CE3-CE3 3.87Å; W479-W545 HydrophobicContact CE3-CE3 3.87Å; W479-W545 HydrophobicContact CE3-CZ3 4.2Å; W479-W545 HydrophobicContact CG-CD2 4.29Å; W479-W545 AromaticContact CG-CE3 3.38Å; W479-W545 HydrophobicContact CG-CE3 3.38Å; W479-W545 AromaticContact CG-CZ3 3.8Å; W479-W545 HydrophobicContact CG-CZ3 3.8Å; W479-W545 HydrophobicContact CZ2-CB 4.24Å; F493-W545 HydrophobicContact CD1-CD2 4.33Å; F493-W545 AromaticContact CD1-CE2 3.89Å; F493-W545 HydrophobicContact CD1-CZ2 4.23Å; F493-W545 AromaticContact CD1-NE1 3.83Å; F493-W545 AromaticContact CE1-CD2 3.89Å; F493-W545 HydrophobicContact CE1-CD2 3.89Å; F493-W545 AromaticContact CE1-CE2 3.63Å; F493-W545 HydrophobicContact CE1-CE3 4.22Å; F493-W545 HydrophobicContact CE1-CG 4.47Å; F493-W545 HydrophobicContact CE1-CH2 4.04Å; F493-W545 AromaticContact CE1-CZ2 3.72Å; F493-W545 HydrophobicContact CE1-CZ2 3.72Å; F493-W545 HydrophobicContact CE1-CZ3 4.28Å; F493-W545 HydrophobicContact CZ-CZ2 4.46Å; P496-W545 HydrophobicContact CB-CB 3.74Å; P496-W545 HydrophobicContact CB-CG 4.04Å; P496-W545 HydrophobicContact CG-CB 3.77Å; P496-W545 HydrophobicContact CG-CG 4Å; W545-R547 VanDerWaalsContact C-N 3.33Å; W545-R547 PolarHBondContact O-N 3.33Å; W545-F548 HydrophobicContact CE3-CD1 4Å; W545-F548 AromaticContact CZ3-CD1 3.73Å; W545-F548 HydrophobicContact CZ3-CD1 3.73Å; W545-F548 HydrophobicContact CZ3-CE1 4.2Å; W545-F548 PolarHBondContact O-N 3.46Å; W545-C549 HydrophobicContact CE3-CB 4.28Å; W545-C549 HydrophobicContact CH2-CB 3.66Å; W545-C549 HydrophobicContact CZ2-CB 3.87Å; W545-C549 HydrophobicContact CZ3-CB 3.88Å; W545-C549 PolarHBondContact O-N 3.44Å; W545-C549 VanDerWaalsContact O-N 3.11Å
546T89.4Confident80Confident51 Ų5164.8 Ų64.831%0.31335%0.354SS..Iπ-helixtrans-59.4-46.2179.656.70000110.7P544 F548 C549 K550 E551P544-T546 PolarHBondContact O-N 2.88Å; T546-F548 VanDerWaalsContact C-N 3.28Å; T546-F548 PolarHBondContact O-N 2.96Å; T546-C549 PolarHBondContact O-N 2.97Å; T546-K550 HydrophobicContact CG2-CD 4.36Å; T546-K550 CarbonylContact O-C 3.4Å; T546-K550 WeakPolarHBondContact O-CA 3.38Å; T546-K550 WeakPolarHBondContact O-CB 3.28Å; T546-K550 PolarHBondContact O-N 2.9Å; T546-E551 WeakPolarHBondContact CB-OE1 3.43Å; T546-E551 PolarHBondContact O-N 3.1Å; T546-E551 PolarHBondContact OG1-OE1 3.31Å
547R88.1Confident80.5Confident97 Ų9764.4 Ų64.437%0.36635%0.352SS..Iπ-helixtrans-63.3-32.8177.9-167.5172.6-67.3174.3-1.6113.4L532 P544 W545L532-R547 HydrophobicContact CD2-CG 4.21Å; L532-R547 WeakPolarHBondContact O-CD 3.37Å; L532-R547 PolarHBondContact O-NH1 3.01Å; P544-R547 PolarHBondContact O-N 3.49Å; P544-R547 VanDerWaalsContact O-N 3.14Å; W545-R547 VanDerWaalsContact C-N 3.33Å; W545-R547 PolarHBondContact O-N 3.33Å
548F89.3Confident81Confident1 Ų163.4 Ų63.40%0.00434%0.341CS..Iπ-helixtrans-74.6-42.6-178.8-179-108.4000113.3A475 W479 L504 L508 P544 W545 T546 F560 W561A475-F548 HydrophobicContact CB-CE1 4.12Å; W479-F548 HydrophobicContact CE3-CB 4.24Å; W479-F548 AromaticContact CE3-CD1 3.51Å; W479-F548 HydrophobicContact CE3-CD1 3.51Å; W479-F548 HydrophobicContact CE3-CD2 4.48Å; W479-F548 AromaticContact CE3-CE1 3.88Å; W479-F548 HydrophobicContact CE3-CE1 3.88Å; W479-F548 AromaticContact CE3-CG 3.84Å; W479-F548 HydrophobicContact CE3-CG 3.84Å; W479-F548 HydrophobicContact CE3-CZ 4.49Å; W479-F548 HydrophobicContact CH2-CB 3.81Å; W479-F548 HydrophobicContact CH2-CG 4.14Å; W479-F548 HydrophobicContact CZ3-CB 3.54Å; W479-F548 AromaticContact CZ3-CD1 3.56Å; W479-F548 HydrophobicContact CZ3-CD1 3.56Å; W479-F548 AromaticContact CZ3-CD2 3.78Å; W479-F548 HydrophobicContact CZ3-CD2 3.78Å; W479-F548 HydrophobicContact CZ3-CE1 4.14Å; W479-F548 HydrophobicContact CZ3-CE2 4.33Å; W479-F548 AromaticContact CZ3-CG 3.34Å; W479-F548 HydrophobicContact CZ3-CG 3.34Å; W479-F548 HydrophobicContact CZ3-CZ 4.48Å; L504-F548 HydrophobicContact CD1-CD2 4.34Å; L504-F548 HydrophobicContact CD1-CE2 3.88Å; L504-F548 HydrophobicContact CD1-CZ 4.33Å; L504-F548 HydrophobicContact CD2-CD2 4.08Å; L504-F548 HydrophobicContact CD2-CE2 4.31Å; L508-F548 HydrophobicContact CD2-CE2 4.45Å; P544-F548 PolarHBondContact O-N 3.4Å; W545-F548 HydrophobicContact CE3-CD1 4Å; W545-F548 AromaticContact CZ3-CD1 3.73Å; W545-F548 HydrophobicContact CZ3-CD1 3.73Å; W545-F548 HydrophobicContact CZ3-CE1 4.2Å; W545-F548 PolarHBondContact O-N 3.46Å; T546-F548 VanDerWaalsContact C-N 3.28Å; T546-F548 PolarHBondContact O-N 2.96Å; F548-F560 AromaticContact CD2-CD1 3.73Å; F548-F560 HydrophobicContact CD2-CD1 3.73Å; F548-F560 HydrophobicContact CD2-CE1 4.14Å; F548-F560 AromaticContact CE2-CD1 3.87Å; F548-F560 HydrophobicContact CE2-CD1 3.87Å; F548-F560 AromaticContact CE2-CE1 3.98Å; F548-F560 HydrophobicContact CE2-CE1 3.98Å; F548-F560 WeakPolarHBondContact O-CB 3.31Å; F548-W561 HydrophobicContact CD1-CB 4.2Å; F548-W561 HydrophobicContact CE1-CB 3.77Å; F548-W561 HydrophobicContact CE1-CD2 4.27Å; F548-W561 HydrophobicContact CE1-CE3 4.33Å; F548-W561 HydrophobicContact CE1-CG 4.02Å; F548-W561 HydrophobicContact CE2-CB 4.16Å; F548-W561 HydrophobicContact CE2-CE3 4.05Å; F548-W561 HydrophobicContact CZ-CB 3.77Å; F548-W561 AromaticContact CZ-CD2 3.84Å; F548-W561 HydrophobicContact CZ-CD2 3.84Å; F548-W561 AromaticContact CZ-CE3 3.47Å; F548-W561 HydrophobicContact CZ-CE3 3.47Å; F548-W561 VanDerWaalsContact CZ-CE3 3.47Å; F548-W561 AromaticContact CZ-CG 3.96Å; F548-W561 HydrophobicContact CZ-CG 3.96Å; F548-W561 HydrophobicContact CZ-CZ3 4.43Å; F548-W561 PolarHBondContact O-N 3.18Å
549C87.6Confident81.7Confident17 Ų1762.9 Ų62.912%0.11533%0.333CS..Iπ-helixtrans-129.6-16.9-169.6-163.20000116A475 W545 T546 S559A475-C549 HydrophobicContact CB-CB 4.31Å; A475-C549 VanDerWaalsContact CB-SG 3.58Å; W545-C549 HydrophobicContact CE3-CB 4.28Å; W545-C549 HydrophobicContact CH2-CB 3.66Å; W545-C549 HydrophobicContact CZ2-CB 3.87Å; W545-C549 HydrophobicContact CZ3-CB 3.88Å; W545-C549 PolarHBondContact O-N 3.44Å; W545-C549 VanDerWaalsContact O-N 3.11Å; T546-C549 PolarHBondContact O-N 2.97Å; C549-S559 VanDerWaalsContact O-CB 3.31Å; C549-S559 WeakPolarHBondContact O-CB 3.29Å; C549-S559 PolarHBondContact O-OG 2.84Å
550K81.7Confident82.7Confident95 Ų9558.8 Ų58.841%0.41331%0.306SS..Iπ-helixtrans-108.1-45.3-175.7-66.4-172.4174.4174.30114.3E428 T546E428-K550 VanDerWaalsContact CD-NZ 3.31Å; E428-K550 WeakPolarHBondContact OE1-CE 3.1Å; E428-K550 IonicContact OE1-NZ 3.98Å; E428-K550 PolarHBondContact OE1-NZ 3.37Å; E428-K550 IonicContact OE2-NZ 2.95Å; E428-K550 PolarHBondContact OE2-NZ 2.86Å; T546-K550 HydrophobicContact CG2-CD 4.36Å; T546-K550 CarbonylContact O-C 3.4Å; T546-K550 WeakPolarHBondContact O-CA 3.38Å; T546-K550 WeakPolarHBondContact O-CB 3.28Å; T546-K550 PolarHBondContact O-N 2.9Å
551E82.5Confident83.4Confident87 Ų8753.2 Ų53.241%0.40728%0.276SS..SBendtrans-75.9144.8-175-70.4169.5-159.700110.7T546 S559T546-E551 WeakPolarHBondContact CB-OE1 3.43Å; T546-E551 PolarHBondContact O-N 3.1Å; T546-E551 PolarHBondContact OG1-OE1 3.31Å; E551-S559 WeakPolarHBondContact O-CA 3.45Å; E551-S559 VanDerWaalsContact O-CB 3.28Å; E551-S559 WeakPolarHBondContact O-CB 3.4Å
552N79.7Confident83.6Confident94 Ų9454 Ų5450%0.50328%0.278SS..PPolyproline II helixtrans-72.3127.6172.1-83.3-8.8000109.3N554 K556 F558N552-N554 PolarHBondContact O-N 3.16Å; N552-K556 WeakPolarHBondContact CB-O 3.31Å; N552-K556 PolarHBondContact OD1-O 2.88Å; N552-F558 PolarHBondContact OD1-N 2.98Å
553I73.8Confident83.7Confident12 Ų1250 Ų506%0.06226%0.257CS..SBendtrans-73.8119.8-179.3-56.5162.9000109.5K531 D555 K556 F558 F560 W563K531-I553 HydrophobicContact CG-CG2 4.13Å; I553-D555 VanDerWaalsContact C-N 3.35Å; I553-D555 PolarHBondContact O-N 3.09Å; I553-K556 WeakPolarHBondContact O-CB 3.35Å; I553-K556 WeakPolarHBondContact O-CG 3.34Å; I553-K556 PolarHBondContact O-N 3.32Å; I553-F558 HydrophobicContact CD1-CD2 4.48Å; I553-F558 HydrophobicContact CD1-CE2 4.24Å; I553-F558 PolarHBondContact N-O 3.38Å; I553-F560 HydrophobicContact CD1-CB 3.66Å; I553-F560 HydrophobicContact CD1-CD2 4.06Å; I553-F560 HydrophobicContact CD1-CG 4.33Å; I553-F560 HydrophobicContact CG1-CB 3.92Å; I553-W563 HydrophobicContact CD1-CE3 4.43Å
554N68.2Low83.8Confident117 Ų11750 Ų5063%0.62626%0.257SS*.THydrogen-bonded Turntrans42.157.5167.6-56.9-13.2000112.7N552 K556N552-N554 PolarHBondContact O-N 3.16Å; N554-K556 VanDerWaalsContact C-N 3.32Å; N554-K556 PolarHBondContact O-N 3.1Å
555D62.9Low83.8Confident169 Ų16948.8 Ų48.890%0.90425%0.249SC*.THydrogen-bonded Turntrans65.718.4-179.8-55.4-41.2000116.8I553I553-D555 VanDerWaalsContact C-N 3.35Å; I553-D555 PolarHBondContact O-N 3.09Å
556K70.8Confident83.8Confident47 Ų4750 Ų5020%0.20426%0.256CS..  trans-95.3147.2175-62.7175.1-179.8168.90112.5N552 I553 N554 F558 E611N552-K556 WeakPolarHBondContact CB-O 3.31Å; N552-K556 PolarHBondContact OD1-O 2.88Å; I553-K556 WeakPolarHBondContact O-CB 3.35Å; I553-K556 WeakPolarHBondContact O-CG 3.34Å; I553-K556 PolarHBondContact O-N 3.32Å; N554-K556 VanDerWaalsContact C-N 3.32Å; N554-K556 PolarHBondContact O-N 3.1Å; K556-F558 HydrophobicContact CB-CD1 4.31Å; K556-F558 HydrophobicContact CB-CE1 4.09Å; K556-F558 HydrophobicContact CB-CZ 4.37Å; K556-F558 HydrophobicContact CD-CE1 4.28Å; K556-F558 HydrophobicContact CD-CZ 3.97Å; K556-F558 PolarHBondContact O-N 3.36Å; K556-E611 WeakPolarHBondContact CD-O 3.28Å; K556-E611 WeakPolarHBondContact CE-O 3.49Å; K556-E611 PolarHBondContact NZ-O 3.17Å
557N76.8Confident84Confident147 Ų14747.6 Ų47.679%0.78624%0.242SC*.SBendtrans-74.424.2-177.1-66-23.9000115.4
558F81.1Confident84.3Confident20 Ų2043.1 Ų43.19%0.08823%0.225CC..SBendtrans-150.4156.4179.261.4-98.4000112N552 I553 K556 W563 E611 R614N552-F558 PolarHBondContact OD1-N 2.98Å; I553-F558 HydrophobicContact CD1-CD2 4.48Å; I553-F558 HydrophobicContact CD1-CE2 4.24Å; I553-F558 PolarHBondContact N-O 3.38Å; K556-F558 HydrophobicContact CB-CD1 4.31Å; K556-F558 HydrophobicContact CB-CE1 4.09Å; K556-F558 HydrophobicContact CB-CZ 4.37Å; K556-F558 HydrophobicContact CD-CE1 4.28Å; K556-F558 HydrophobicContact CD-CZ 3.97Å; K556-F558 PolarHBondContact O-N 3.36Å; F558-W563 HydrophobicContact CD2-CB 3.62Å; F558-W563 HydrophobicContact CD2-CG 4.21Å; F558-W563 HydrophobicContact CE2-CB 3.42Å; F558-W563 VanDerWaalsContact CE2-CB 3.42Å; F558-W563 AromaticContact CE2-CD1 3.62Å; F558-W563 HydrophobicContact CE2-CD2 4.31Å; F558-W563 AromaticContact CE2-CG 3.49Å; F558-W563 HydrophobicContact CE2-CG 3.49Å; F558-W563 VanDerWaalsContact CE2-CG 3.49Å; F558-W563 HydrophobicContact CZ-CB 4.48Å; F558-W563 AromaticContact CZ-CD1 3.91Å; F558-W563 HydrophobicContact CZ-CG 4.22Å; F558-E611 WeakPolarHBondContact CZ-O 2.69Å; F558-R614 HydrophobicContact CB-CG 4.02Å; F558-R614 HydrophobicContact CD1-CB 3.96Å; F558-R614 HydrophobicContact CD1-CG 4.11Å; F558-R614 HydrophobicContact CE1-CB 4.43Å; F558-R614 HydrophobicContact CG-CG 4.24Å
559S86.6Confident84.4Confident16 Ų1646.9 Ų46.911%0.11224%0.243CC..  trans-90.7164.7179.157.60000113.2C549 E551 P562 W563C549-S559 VanDerWaalsContact O-CB 3.31Å; C549-S559 WeakPolarHBondContact O-CB 3.29Å; C549-S559 PolarHBondContact O-OG 2.84Å; E551-S559 WeakPolarHBondContact O-CA 3.45Å; E551-S559 VanDerWaalsContact O-CB 3.28Å; E551-S559 WeakPolarHBondContact O-CB 3.4Å; S559-P562 WeakPolarHBondContact OG-CD 3.49Å; S559-P562 VanDerWaalsContact OG-CG 3.28Å; S559-P562 WeakPolarHBondContact OG-CG 3.3Å; S559-W563 PolarHBondContact O-N 3.3Å
560F91.1Very high84.6Confident0 Ų046.4 Ų46.40%024%0.239CC..Hα-helixtrans-61.5-53-171.6176.9-91000114.1L508 L528 L532 F548 I553 W563 I564L508-F560 HydrophobicContact CD1-CE1 4.11Å; L508-F560 HydrophobicContact CD1-CZ 4.11Å; L508-F560 HydrophobicContact CD2-CE1 4.21Å; L528-F560 HydrophobicContact CB-CZ 4.5Å; L528-F560 HydrophobicContact CD2-CE2 4Å; L528-F560 HydrophobicContact CD2-CZ 4.14Å; L532-F560 HydrophobicContact CD1-CD1 4.23Å; L532-F560 HydrophobicContact CD1-CD2 4.32Å; L532-F560 HydrophobicContact CD1-CE1 3.87Å; L532-F560 HydrophobicContact CD1-CE2 3.96Å; L532-F560 HydrophobicContact CD1-CG 4.45Å; L532-F560 HydrophobicContact CD1-CZ 3.73Å; L532-F560 HydrophobicContact CD2-CB 4.03Å; L532-F560 HydrophobicContact CD2-CD1 4.11Å; L532-F560 HydrophobicContact CD2-CD2 3.64Å; L532-F560 HydrophobicContact CD2-CE2 4.09Å; L532-F560 HydrophobicContact CD2-CG 3.66Å; L532-F560 HydrophobicContact CG-CD2 3.94Å; L532-F560 HydrophobicContact CG-CE2 3.86Å; L532-F560 HydrophobicContact CG-CG 4.32Å; L532-F560 HydrophobicContact CG-CZ 4.17Å; F548-F560 AromaticContact CD2-CD1 3.73Å; F548-F560 HydrophobicContact CD2-CD1 3.73Å; F548-F560 HydrophobicContact CD2-CE1 4.14Å; F548-F560 AromaticContact CE2-CD1 3.87Å; F548-F560 HydrophobicContact CE2-CD1 3.87Å; F548-F560 AromaticContact CE2-CE1 3.98Å; F548-F560 HydrophobicContact CE2-CE1 3.98Å; F548-F560 WeakPolarHBondContact O-CB 3.31Å; I553-F560 HydrophobicContact CD1-CB 3.66Å; I553-F560 HydrophobicContact CD1-CD2 4.06Å; I553-F560 HydrophobicContact CD1-CG 4.33Å; I553-F560 HydrophobicContact CG1-CB 3.92Å; F560-W563 HydrophobicContact CD2-CE3 4.2Å; F560-W563 HydrophobicContact CD2-CZ3 4.24Å; F560-W563 HydrophobicContact CE2-CE3 4.33Å; F560-W563 AromaticContact CE2-CZ3 3.99Å; F560-W563 HydrophobicContact CE2-CZ3 3.99Å; F560-W563 WeakPolarHBondContact O-CB 3.47Å; F560-W563 PolarHBondContact O-N 3.07Å; F560-I564 HydrophobicContact CD1-CG1 4.34Å; F560-I564 HydrophobicContact CE1-CG1 3.85Å; F560-I564 HydrophobicContact CE2-CG1 4.27Å; F560-I564 HydrophobicContact CZ-CD1 4.21Å; F560-I564 HydrophobicContact CZ-CG1 3.8Å; F560-I564 PolarHBondContact O-N 3.46Å; F560-I564 VanDerWaalsContact O-N 3.12Å
561W92.4Very high85.2Confident0 Ų041.9 Ų41.90%022%0.219CC..Hα-helixtrans-63-48.3-176.3173.8-98000113.7P471 W474 A475 L478 L508 Q511 F548 W563 I564 D565 L568P471-W561 PolarHBondContact O-NE1 3.28Å; W474-W561 AromaticContact CD1-CZ2 3.39Å; W474-W561 AromaticContact NE1-CZ2 3.96Å; A475-W561 HydrophobicContact CB-CB 4.38Å; A475-W561 HydrophobicContact CB-CG 3.8Å; L478-W561 HydrophobicContact CD1-CD2 4.27Å; L478-W561 HydrophobicContact CD1-CE3 4.04Å; L478-W561 HydrophobicContact CD1-CH2 3.61Å; L478-W561 HydrophobicContact CD1-CZ2 3.88Å; L478-W561 HydrophobicContact CD1-CZ3 3.67Å; L508-W561 HydrophobicContact CD2-CE3 4.25Å; L508-W561 HydrophobicContact CD2-CZ3 3.96Å; Q511-W561 HydrophobicContact CB-CH2 4.26Å; Q511-W561 HydrophobicContact CG-CH2 3.7Å; Q511-W561 HydrophobicContact CG-CZ3 3.91Å; F548-W561 HydrophobicContact CD1-CB 4.2Å; F548-W561 HydrophobicContact CE1-CB 3.77Å; F548-W561 HydrophobicContact CE1-CD2 4.27Å; F548-W561 HydrophobicContact CE1-CE3 4.33Å; F548-W561 HydrophobicContact CE1-CG 4.02Å; F548-W561 HydrophobicContact CE2-CB 4.16Å; F548-W561 HydrophobicContact CE2-CE3 4.05Å; F548-W561 HydrophobicContact CZ-CB 3.77Å; F548-W561 AromaticContact CZ-CD2 3.84Å; F548-W561 HydrophobicContact CZ-CD2 3.84Å; F548-W561 AromaticContact CZ-CE3 3.47Å; F548-W561 HydrophobicContact CZ-CE3 3.47Å; F548-W561 VanDerWaalsContact CZ-CE3 3.47Å; F548-W561 AromaticContact CZ-CG 3.96Å; F548-W561 HydrophobicContact CZ-CG 3.96Å; F548-W561 HydrophobicContact CZ-CZ3 4.43Å; F548-W561 PolarHBondContact O-N 3.18Å; W561-W563 PolarHBondContact O-N 3.29Å; W561-W563 VanDerWaalsContact O-N 3.17Å; W561-I564 HydrophobicContact CE3-CB 4.46Å; W561-I564 HydrophobicContact CE3-CG2 4.37Å; W561-I564 HydrophobicContact CZ3-CG2 3.98Å; W561-I564 PolarHBondContact O-N 3.36Å; W561-D565 HydrophobicContact CZ2-CB 4.01Å; W561-D565 PolarHBondContact O-N 2.85Å; W561-L568 HydrophobicContact CH2-CD1 4.41Å
562P90.1Very high85.6Confident32 Ų3242.5 Ų42.521%0.20822%0.22CC..Hα-helixtrans-56.2-32175.5-29.137.9000114.1S559 T566S559-P562 WeakPolarHBondContact OG-CD 3.49Å; S559-P562 VanDerWaalsContact OG-CG 3.28Å; S559-P562 WeakPolarHBondContact OG-CG 3.3Å; P562-T566 WeakPolarHBondContact O-CG2 3.21Å; P562-T566 PolarHBondContact O-N 3.31Å; P562-T566 VanDerWaalsContact O-N 3.1Å; P562-T566 PolarHBondContact O-OG1 2.98Å
563W91Very high86.2Confident2 Ų244.3 Ų44.31%0.00822%0.224CC..Hα-helixtrans-69.3-41.7174.1169.467.2000112.9L528 K531 I553 F558 S559 F560 W561 T566 I567 F587 S610 E611L528-W563 HydrophobicContact CD2-CH2 4.03Å; L528-W563 HydrophobicContact CD2-CZ3 3.83Å; K531-W563 HydrophobicContact CD-CH2 4.05Å; K531-W563 HydrophobicContact CD-CZ3 3.92Å; K531-W563 VanDerWaalsContact NZ-CZ2 3.34Å; I553-W563 HydrophobicContact CD1-CE3 4.43Å; F558-W563 HydrophobicContact CD2-CB 3.62Å; F558-W563 HydrophobicContact CD2-CG 4.21Å; F558-W563 HydrophobicContact CE2-CB 3.42Å; F558-W563 VanDerWaalsContact CE2-CB 3.42Å; F558-W563 AromaticContact CE2-CD1 3.62Å; F558-W563 HydrophobicContact CE2-CD2 4.31Å; F558-W563 AromaticContact CE2-CG 3.49Å; F558-W563 HydrophobicContact CE2-CG 3.49Å; F558-W563 VanDerWaalsContact CE2-CG 3.49Å; F558-W563 HydrophobicContact CZ-CB 4.48Å; F558-W563 AromaticContact CZ-CD1 3.91Å; F558-W563 HydrophobicContact CZ-CG 4.22Å; S559-W563 PolarHBondContact O-N 3.3Å; F560-W563 HydrophobicContact CD2-CE3 4.2Å; F560-W563 HydrophobicContact CD2-CZ3 4.24Å; F560-W563 HydrophobicContact CE2-CE3 4.33Å; F560-W563 AromaticContact CE2-CZ3 3.99Å; F560-W563 HydrophobicContact CE2-CZ3 3.99Å; F560-W563 WeakPolarHBondContact O-CB 3.47Å; F560-W563 PolarHBondContact O-N 3.07Å; W561-W563 PolarHBondContact O-N 3.29Å; W561-W563 VanDerWaalsContact O-N 3.17Å; W563-T566 PolarHBondContact O-OG1 3.28Å; W563-I567 HydrophobicContact CD2-CD1 4.12Å; W563-I567 HydrophobicContact CG-CD1 4.48Å; W563-I567 HydrophobicContact CH2-CD1 4.39Å; W563-I567 HydrophobicContact CZ2-CD1 3.68Å; W563-I567 WeakPolarHBondContact O-CG1 3.14Å; W563-I567 PolarHBondContact O-N 3.5Å; W563-F587 AromaticContact CH2-CD1 3.99Å; W563-F587 HydrophobicContact CH2-CD1 3.99Å; W563-F587 AromaticContact CH2-CE1 3.8Å; W563-F587 HydrophobicContact CH2-CE1 3.8Å; W563-F587 HydrophobicContact CZ2-CE1 4.23Å; W563-F587 HydrophobicContact CZ3-CE1 4.41Å; W563-S610 PolarHBondContact NE1-O 3.34Å; W563-E611 HydrophobicContact CZ2-CG 4.19Å
564I93.3Very high87Confident0 Ų046.6 Ų46.60%023%0.234CC..Hα-helixtrans-65.2-41.5174-67.9-64000111.2L508 F512 L528 F560 W561 T566 I567 L568 F587L508-I564 HydrophobicContact CD2-CG2 4.46Å; F512-I564 HydrophobicContact CE2-CG2 3.93Å; F512-I564 HydrophobicContact CZ-CG2 4.21Å; L528-I564 HydrophobicContact CD1-CD1 4.41Å; L528-I564 HydrophobicContact CD2-CD1 3.88Å; F560-I564 HydrophobicContact CD1-CG1 4.34Å; F560-I564 HydrophobicContact CE1-CG1 3.85Å; F560-I564 HydrophobicContact CE2-CG1 4.27Å; F560-I564 HydrophobicContact CZ-CD1 4.21Å; F560-I564 HydrophobicContact CZ-CG1 3.8Å; F560-I564 PolarHBondContact O-N 3.46Å; F560-I564 VanDerWaalsContact O-N 3.12Å; W561-I564 HydrophobicContact CE3-CB 4.46Å; W561-I564 HydrophobicContact CE3-CG2 4.37Å; W561-I564 HydrophobicContact CZ3-CG2 3.98Å; W561-I564 PolarHBondContact O-N 3.36Å; I564-T566 PolarHBondContact O-N 3.12Å; I564-I567 WeakPolarHBondContact O-CB 3.44Å; I564-I567 PolarHBondContact O-N 3.4Å; I564-L568 HydrophobicContact CG2-CD1 4.18Å; I564-L568 PolarHBondContact O-N 2.91Å; I564-F587 HydrophobicContact CD1-CE1 3.71Å; I564-F587 HydrophobicContact CD1-CZ 3.82Å
565D91.8Very high88.2Confident17 Ų1741 Ų419%0.09120%0.204CC..Hα-helixtrans-65.5-37.9-179.7-167.377.1000112.1R331 P471 W561 L568 E569R331-D565 IonicContact CZ-OD1 3.41Å; R331-D565 IonicContact NE-OD1 3.72Å; R331-D565 IonicContact NH2-OD1 2.93Å; R331-D565 PolarHBondContact NH2-OD1 2.83Å; P471-D565 HydrophobicContact CB-CB 4.24Å; P471-D565 WeakPolarHBondContact CB-OD2 3.3Å; P471-D565 VanDerWaalsContact CG-OD2 3.31Å; P471-D565 WeakPolarHBondContact CG-OD2 3.28Å; W561-D565 HydrophobicContact CZ2-CB 4.01Å; W561-D565 PolarHBondContact O-N 2.85Å; D565-L568 WeakPolarHBondContact O-CB 3.3Å; D565-L568 PolarHBondContact O-N 2.92Å; D565-E569 PolarHBondContact O-N 3.32Å
566T91.9Very high89.5Confident29 Ų2936 Ų3618%0.17818%0.177CC..Hα-helixtrans-69.1-33.3174.356.10000112.8P562 W563 I564 E569 L570 R614P562-T566 WeakPolarHBondContact O-CG2 3.21Å; P562-T566 PolarHBondContact O-N 3.31Å; P562-T566 VanDerWaalsContact O-N 3.1Å; P562-T566 PolarHBondContact O-OG1 2.98Å; W563-T566 PolarHBondContact O-OG1 3.28Å; I564-T566 PolarHBondContact O-N 3.12Å; T566-E569 PolarHBondContact O-N 3Å; T566-L570 WeakPolarHBondContact O-CB 3.41Å; T566-L570 PolarHBondContact O-N 3.33Å; T566-R614 PolarHBondContact OG1-O 2.77Å
567I93.7Very high90.4Very high0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-64.1-45.1170.5-71169.1000110.6F512 W563 I564 E569 L570 I571 F587 F609F512-I567 HydrophobicContact CE1-CG2 4.48Å; W563-I567 HydrophobicContact CD2-CD1 4.12Å; W563-I567 HydrophobicContact CG-CD1 4.48Å; W563-I567 HydrophobicContact CH2-CD1 4.39Å; W563-I567 HydrophobicContact CZ2-CD1 3.68Å; W563-I567 WeakPolarHBondContact O-CG1 3.14Å; W563-I567 PolarHBondContact O-N 3.5Å; I564-I567 WeakPolarHBondContact O-CB 3.44Å; I564-I567 PolarHBondContact O-N 3.4Å; I567-E569 VanDerWaalsContact C-N 3.29Å; I567-E569 PolarHBondContact O-N 2.96Å; I567-L570 WeakPolarHBondContact O-CB 3.49Å; I567-L570 PolarHBondContact O-N 2.82Å; I567-L570 VanDerWaalsContact O-N 3.17Å; I567-I571 HydrophobicContact CG2-CD1 3.88Å; I567-I571 HydrophobicContact CG2-CG1 4.39Å; I567-I571 WeakPolarHBondContact O-CG1 3.46Å; I567-I571 PolarHBondContact O-N 3.12Å; I567-F587 HydrophobicContact CD1-CE1 3.81Å; I567-F587 HydrophobicContact CD1-CZ 4.14Å; I567-F587 HydrophobicContact CG2-CZ 4.09Å; I567-F609 HydrophobicContact CD1-CB 3.74Å; I567-F609 HydrophobicContact CD1-CD2 4.43Å; I567-F609 HydrophobicContact CD1-CG 4.08Å; I567-F609 HydrophobicContact CG1-CB 4.23Å; I567-F609 HydrophobicContact CG1-CD1 4.46Å; I567-F609 HydrophobicContact CG1-CG 4.23Å; I567-F609 HydrophobicContact CG2-CD1 3.86Å; I567-F609 HydrophobicContact CG2-CD2 3.59Å; I567-F609 HydrophobicContact CG2-CE1 3.91Å; I567-F609 HydrophobicContact CG2-CE2 3.64Å; I567-F609 HydrophobicContact CG2-CG 3.72Å; I567-F609 HydrophobicContact CG2-CZ 3.82Å
568L93.1Very high91Very high4 Ų430.4 Ų30.42%0.02115%0.154CC..Hα-helixtrans-60.1-40.3175.6-79167.9000111.8Q511 F512 W561 I564 D565 I571 K572Q511-L568 HydrophobicContact CB-CD1 3.8Å; F512-L568 HydrophobicContact CB-CD2 4.26Å; F512-L568 HydrophobicContact CD1-CD2 3.45Å; F512-L568 VanDerWaalsContact CD1-CD2 3.45Å; F512-L568 HydrophobicContact CD1-CG 4.4Å; F512-L568 HydrophobicContact CD2-CD2 3.85Å; F512-L568 HydrophobicContact CD2-CG 4.43Å; F512-L568 HydrophobicContact CE1-CD2 3.56Å; F512-L568 HydrophobicContact CE1-CG 4.06Å; F512-L568 HydrophobicContact CE2-CD1 4.24Å; F512-L568 HydrophobicContact CE2-CD2 3.94Å; F512-L568 HydrophobicContact CE2-CG 4.07Å; F512-L568 HydrophobicContact CG-CD2 3.59Å; F512-L568 HydrophobicContact CZ-CD1 4.49Å; F512-L568 HydrophobicContact CZ-CD2 3.79Å; F512-L568 HydrophobicContact CZ-CG 3.85Å; W561-L568 HydrophobicContact CH2-CD1 4.41Å; I564-L568 HydrophobicContact CG2-CD1 4.18Å; I564-L568 PolarHBondContact O-N 2.91Å; D565-L568 WeakPolarHBondContact O-CB 3.3Å; D565-L568 PolarHBondContact O-N 2.92Å; L568-I571 PolarHBondContact O-N 2.7Å; L568-K572 VanDerWaalsContact O-CB 3.3Å; L568-K572 WeakPolarHBondContact O-CB 3.02Å; L568-K572 PolarHBondContact O-N 2.68Å
569E91.5Very high91.6Very high80 Ų8029.4 Ų29.437%0.37415%0.15SC..Hα-helixtrans-63-42.4174.8-169.7-178.9179.300111.8D565 T566 I567 K572 K573D565-E569 PolarHBondContact O-N 3.32Å; T566-E569 PolarHBondContact O-N 3Å; I567-E569 VanDerWaalsContact C-N 3.29Å; I567-E569 PolarHBondContact O-N 2.96Å; E569-K572 PolarHBondContact O-N 3.26Å; E569-K573 HydrophobicContact CG-CD 4.1Å; E569-K573 WeakPolarHBondContact O-CB 3.21Å; E569-K573 WeakPolarHBondContact O-CG 3.35Å; E569-K573 PolarHBondContact O-N 3.26Å; E569-K573 VanDerWaalsContact O-N 3.08Å; E569-K573 WeakPolarHBondContact OE1-CE 3.32Å; E569-K573 IonicContact OE1-NZ 3.65Å; E569-K573 PolarHBondContact OE1-NZ 3.12Å
570L93.6Very high91.7Very high7 Ų730 Ų304%0.03715%0.151CC..Hα-helixtrans-61-47176.2-16873.1000111.4T566 I567 K573 H574 L575 I618 K642 L645T566-L570 WeakPolarHBondContact O-CB 3.41Å; T566-L570 PolarHBondContact O-N 3.33Å; I567-L570 WeakPolarHBondContact O-CB 3.49Å; I567-L570 PolarHBondContact O-N 2.82Å; I567-L570 VanDerWaalsContact O-N 3.17Å; L570-K573 PolarHBondContact O-N 3.23Å; L570-H574 PolarHBondContact O-N 2.95Å; L570-L575 HydrophobicContact CD2-CD1 4.13Å; L570-L575 HydrophobicContact CG-CD1 4.21Å; L570-I618 HydrophobicContact CD2-CB 4.46Å; L570-K642 HydrophobicContact CD1-CB 4.26Å; L570-L645 HydrophobicContact CD1-CD1 3.66Å; L570-L645 HydrophobicContact CD2-CD1 4.42Å; L570-L645 HydrophobicContact CG-CD1 4.19Å
571I93.7Very high91.4Very high0 Ų034.1 Ų34.10%017%0.174CC..Iπ-helixtrans-60.7-51.2178-65.4165.4000110F512 T516 I567 L568 K573 L575 L576 W579 F609F512-I571 HydrophobicContact CD1-CD1 4.03Å; F512-I571 HydrophobicContact CE1-CD1 3.61Å; T516-I571 HydrophobicContact CG2-CG2 3.76Å; I567-I571 HydrophobicContact CG2-CD1 3.88Å; I567-I571 HydrophobicContact CG2-CG1 4.39Å; I567-I571 WeakPolarHBondContact O-CG1 3.46Å; I567-I571 PolarHBondContact O-N 3.12Å; L568-I571 PolarHBondContact O-N 2.7Å; I571-K573 VanDerWaalsContact C-N 3.27Å; I571-K573 PolarHBondContact O-N 2.99Å; I571-L575 CarbonylContact O-C 3.53Å; I571-L575 PolarHBondContact O-N 3.48Å; I571-L576 WeakPolarHBondContact O-CA 3.15Å; I571-L576 PolarHBondContact O-N 3.02Å; I571-W579 HydrophobicContact CD1-CD2 4.05Å; I571-W579 HydrophobicContact CD1-CE3 4.05Å; I571-W579 HydrophobicContact CD1-CZ3 4.4Å; I571-W579 HydrophobicContact CG2-CB 3.7Å; I571-W579 HydrophobicContact CG2-CD2 4.39Å; I571-W579 HydrophobicContact CG2-CG 3.76Å; I571-F609 HydrophobicContact CD1-CE1 4.4Å; I571-F609 HydrophobicContact CD1-CE2 3.93Å; I571-F609 HydrophobicContact CD1-CZ 3.52Å; I571-F609 HydrophobicContact CG1-CE1 4.07Å; I571-F609 HydrophobicContact CG1-CE2 4.46Å; I571-F609 HydrophobicContact CG1-CZ 3.57Å
572K91.3Very high91.2Very high99 Ų9936 Ų3643%0.4319%0.192SC..Iπ-helixtrans-57.5-39.9-177.1-173.4-178.4-179.5-179.20112.6Q330 V515 L568 E569Q330-K572 VanDerWaalsContact CD-NZ 3.33Å; V515-K572 HydrophobicContact CG1-CB 3.85Å; V515-K572 HydrophobicContact CG1-CD 3.9Å; V515-K572 HydrophobicContact CG1-CG 3.91Å; L568-K572 VanDerWaalsContact O-CB 3.3Å; L568-K572 WeakPolarHBondContact O-CB 3.02Å; L568-K572 PolarHBondContact O-N 2.68Å; E569-K572 PolarHBondContact O-N 3.26Å
573K90.6Very high91.2Very high133 Ų13335.3 Ų35.358%0.57819%0.188SC*.Iπ-helixtrans-88.5-33.9-174.3-70.8-179.7175.5175.90114E569 L570 I571E569-K573 HydrophobicContact CG-CD 4.1Å; E569-K573 WeakPolarHBondContact O-CB 3.21Å; E569-K573 WeakPolarHBondContact O-CG 3.35Å; E569-K573 PolarHBondContact O-N 3.26Å; E569-K573 VanDerWaalsContact O-N 3.08Å; E569-K573 WeakPolarHBondContact OE1-CE 3.32Å; E569-K573 IonicContact OE1-NZ 3.65Å; E569-K573 PolarHBondContact OE1-NZ 3.12Å; L570-K573 PolarHBondContact O-N 3.23Å; I571-K573 VanDerWaalsContact C-N 3.27Å; I571-K573 PolarHBondContact O-N 2.99Å
574H91.6Very high91.3Very high59 Ų5935.4 Ų35.427%0.27319%0.189SC..Iπ-helixtrans-128.2-22.7-167.6-61.7-80.1000115.2L570 L645L570-H574 PolarHBondContact O-N 2.95Å; H574-L645 HydrophobicContact CB-CB 4.13Å; H574-L645 HydrophobicContact CB-CD1 4.22Å; H574-L645 PolarHBondContact ND1-O 3.26Å
575L93.1Very high91.1Very high0 Ų038.2 Ų38.20%020%0.203CC..Iπ-helixtrans-125.513.3-169.1-49.2168.9000113.7L570 I571 C577 L578 W579 I584 F609 I618 L645 F650L570-L575 HydrophobicContact CD2-CD1 4.13Å; L570-L575 HydrophobicContact CG-CD1 4.21Å; I571-L575 CarbonylContact O-C 3.53Å; I571-L575 PolarHBondContact O-N 3.48Å; L575-C577 PolarHBondContact O-N 3.13Å; L575-L578 PolarHBondContact O-N 3.11Å; L575-W579 WeakPolarHBondContact O-CB 3.27Å; L575-W579 PolarHBondContact O-N 3.18Å; L575-I584 HydrophobicContact CB-CD1 4.03Å; L575-I584 HydrophobicContact CD1-CD1 4.37Å; L575-F609 HydrophobicContact CD1-CE1 4.07Å; L575-I618 HydrophobicContact CD1-CB 4.13Å; L575-I618 HydrophobicContact CD1-CD1 3.69Å; L575-I618 HydrophobicContact CD1-CG2 4.14Å; L575-I618 HydrophobicContact CD2-CD1 4.44Å; L575-L645 HydrophobicContact CD2-CD2 4.49Å; L575-F650 HydrophobicContact CD2-CB 3.61Å; L575-F650 HydrophobicContact CD2-CD1 3.86Å; L575-F650 HydrophobicContact CD2-CG 3.85Å
576L91.3Very high91.1Very high64 Ų6437.4 Ų37.434%0.33520%0.199SC..Hα-helixtrans-55.7-47.8-169.5-174.564.1000112.6T516 I571 N580T516-L576 HydrophobicContact CG2-CD1 3.9Å; I571-L576 WeakPolarHBondContact O-CA 3.15Å; I571-L576 PolarHBondContact O-N 3.02Å; L576-N580 WeakPolarHBondContact O-CB 3.07Å; L576-N580 PolarHBondContact O-N 2.81Å; L576-N580 PolarHBondContact O-ND2 2.86Å; L576-N580 VanDerWaalsContact O-ND2 3.13Å; L576-N580 PolarHBondContact O-OD1 3.25Å
577C88.1Confident91.1Very high68 Ų6836.4 Ų36.446%0.45919%0.192SC..Hα-helixtrans-67.5-43.5-178.6-54.40000112L575 W579 N580 D581 Y686L575-C577 PolarHBondContact O-N 3.13Å; C577-W579 VanDerWaalsContact C-N 3.32Å; C577-W579 PolarHBondContact O-N 3.08Å; C577-N580 PolarHBondContact O-N 3.02Å; C577-D581 PolarHBondContact O-N 3.29Å; C577-D581 VanDerWaalsContact O-N 3.17Å; C577-Y686 HydrophobicContact CB-CD1 4.02Å; C577-Y686 HydrophobicContact CB-CE1 3.51Å; C577-Y686 PolarHBondContact O-OH 3.11Å
578L90.4Very high91Very high8 Ų837 Ų374%0.04220%0.195CC..Hα-helixtrans-65.8-36.6179.7-71.272.6000111.8L575 C583 I584 F650 P651 F683 Y686L575-L578 PolarHBondContact O-N 3.11Å; L578-C583 PolarHBondContact O-N 3.22Å; L578-C583 VanDerWaalsContact O-N 3.15Å; L578-I584 HydrophobicContact CB-CD1 3.76Å; L578-I584 HydrophobicContact CB-CG1 4.09Å; L578-F650 HydrophobicContact CD2-CD1 3.76Å; L578-P651 HydrophobicContact CD1-CG 3.84Å; L578-P651 HydrophobicContact CD2-CG 4.08Å; L578-P651 HydrophobicContact CG-CG 4.38Å; L578-F683 HydrophobicContact CD2-CD1 4.16Å; L578-F683 HydrophobicContact CD2-CE1 3.95Å; L578-F683 HydrophobicContact CG-CD1 4.48Å; L578-F683 HydrophobicContact CG-CE1 4.42Å; L578-Y686 HydrophobicContact CD1-CD2 4.21Å; L578-Y686 HydrophobicContact CD1-CE2 4.42Å; L578-Y686 HydrophobicContact CD1-CG 4.31Å; L578-Y686 HydrophobicContact CG-CD2 4.24Å; L578-Y686 HydrophobicContact CG-CE2 4.22Å
579W92.9Very high90.7Very high0 Ų037.9 Ų37.90%020%0.201CC..Hα-helixtrans-67-52.5175.3177.1-97.3000110.6F512 T516 R518 L520 I571 L575 C577 D581 G582 I584 F609F512-W579 HydrophobicContact CB-CZ2 4.44Å; F512-W579 AromaticContact CD1-CE2 3.96Å; F512-W579 HydrophobicContact CD1-CH2 4.04Å; F512-W579 AromaticContact CD1-CZ2 3.46Å; F512-W579 HydrophobicContact CD1-CZ2 3.46Å; F512-W579 VanDerWaalsContact CD1-CZ2 3.46Å; F512-W579 HydrophobicContact CE1-CH2 4.23Å; F512-W579 HydrophobicContact CE1-CZ2 4.11Å; F512-W579 HydrophobicContact CG-CZ2 4.23Å; T516-W579 VanDerWaalsContact OG1-CD1 3.25Å; T516-W579 PolarHBondContact OG1-NE1 3.34Å; R518-W579 WeakPolarHBondContact CD-O 3.43Å; R518-W579 HydrophobicContact CG-CG 4.42Å; R518-W579 HydrophobicContact CG-CZ2 4.49Å; R518-W579 PolarHBondContact O-NE1 2.95Å; L520-W579 HydrophobicContact CD2-CH2 3.9Å; L520-W579 HydrophobicContact CD2-CZ2 4.06Å; I571-W579 HydrophobicContact CD1-CD2 4.05Å; I571-W579 HydrophobicContact CD1-CE3 4.05Å; I571-W579 HydrophobicContact CD1-CZ3 4.4Å; I571-W579 HydrophobicContact CG2-CB 3.7Å; I571-W579 HydrophobicContact CG2-CD2 4.39Å; I571-W579 HydrophobicContact CG2-CG 3.76Å; L575-W579 WeakPolarHBondContact O-CB 3.27Å; L575-W579 PolarHBondContact O-N 3.18Å; C577-W579 VanDerWaalsContact C-N 3.32Å; C577-W579 PolarHBondContact O-N 3.08Å; W579-D581 VanDerWaalsContact C-N 3.25Å; W579-D581 PolarHBondContact O-N 2.85Å; W579-G582 PolarHBondContact O-N 3.3Å; W579-I584 HydrophobicContact CB-CD1 4.38Å; W579-I584 HydrophobicContact CE3-CB 4.09Å; W579-I584 HydrophobicContact CE3-CG2 4.04Å; W579-I584 HydrophobicContact CZ3-CG2 4.23Å; W579-F609 HydrophobicContact CE3-CE2 4.26Å; W579-F609 HydrophobicContact CE3-CZ 4.24Å; W579-F609 AromaticContact CZ3-CE2 3.8Å; W579-F609 HydrophobicContact CZ3-CE2 3.8Å; W579-F609 HydrophobicContact CZ3-CZ 4.25Å
580N88.2Confident90.5Very high27 Ų2739.6 Ų39.614%0.14421%0.208CC..Hα-helixtrans-54.4-43.1-177.3-70.1-21.7000112.3T516 K517 L576 C577 G582T516-N580 WeakPolarHBondContact CB-OD1 3.34Å; K517-N580 HydrophobicContact CB-CB 4.23Å; K517-N580 PolarHBondContact N-OD1 3.3Å; L576-N580 WeakPolarHBondContact O-CB 3.07Å; L576-N580 PolarHBondContact O-N 2.81Å; L576-N580 PolarHBondContact O-ND2 2.86Å; L576-N580 VanDerWaalsContact O-ND2 3.13Å; L576-N580 PolarHBondContact O-OD1 3.25Å; C577-N580 PolarHBondContact O-N 3.02Å; N580-G582 PolarHBondContact O-N 2.89Å
581D85.9Confident90.2Very high88 Ų8846.5 Ų46.547%0.47124%0.24SC..THydrogen-bonded Turntrans-813.7-176.2-64.29000112.6C577 W579 C583 K685 Y686C577-D581 PolarHBondContact O-N 3.29Å; C577-D581 VanDerWaalsContact O-N 3.17Å; W579-D581 VanDerWaalsContact C-N 3.25Å; W579-D581 PolarHBondContact O-N 2.85Å; D581-C583 VanDerWaalsContact C-N 3.3Å; D581-C583 PolarHBondContact O-N 3.44Å; D581-K685 IonicContact OD2-NZ 3.34Å; D581-K685 PolarHBondContact OD2-NZ 3.05Å; D581-Y686 VanDerWaalsContact CB-OH 3.3Å; D581-Y686 WeakPolarHBondContact CB-OH 3.39Å; D581-Y686 PolarHBondContact OD2-OH 2.92Å
582G88.3Confident89.8Confident38 Ų3851.1 Ų51.139%0.39226%0.257SS..THydrogen-bonded Turntrans7514.7173.400000114.6W579 N580 I584W579-G582 PolarHBondContact O-N 3.3Å; N580-G582 PolarHBondContact O-N 2.89Å; G582-I584 PolarHBondContact O-N 3.41Å
583C89.3Confident89.7Confident18 Ų1846.8 Ų46.812%0.12224%0.238CC..  trans-70.8-15.3178-56.80000112.9L578 D581 L673 F683L578-C583 PolarHBondContact O-N 3.22Å; L578-C583 VanDerWaalsContact O-N 3.15Å; D581-C583 VanDerWaalsContact C-N 3.3Å; D581-C583 PolarHBondContact O-N 3.44Å; C583-L673 HydrophobicContact CB-CD2 4.09Å; C583-F683 HydrophobicContact CB-CE1 4.01Å; C583-F683 HydrophobicContact CB-CZ 4.29Å
584I92.9Very high89.5Confident5 Ų547.3 Ų47.33%0.02624%0.237CC..  trans-105.7119-177.2-59.7176.9000110L575 L578 W579 G582 L607 F609 I618L575-I584 HydrophobicContact CB-CD1 4.03Å; L575-I584 HydrophobicContact CD1-CD1 4.37Å; L578-I584 HydrophobicContact CB-CD1 3.76Å; L578-I584 HydrophobicContact CB-CG1 4.09Å; W579-I584 HydrophobicContact CB-CD1 4.38Å; W579-I584 HydrophobicContact CE3-CB 4.09Å; W579-I584 HydrophobicContact CE3-CG2 4.04Å; W579-I584 HydrophobicContact CZ3-CG2 4.23Å; G582-I584 PolarHBondContact O-N 3.41Å; I584-L607 HydrophobicContact CG1-CB 4.48Å; I584-L607 HydrophobicContact CG1-CD1 3.95Å; I584-L607 HydrophobicContact CG2-CB 4.35Å; I584-F609 HydrophobicContact CG2-CE2 4.36Å; I584-F609 HydrophobicContact CG2-CZ 4.12Å; I584-I618 HydrophobicContact CD1-CD1 4.01Å; I584-I618 HydrophobicContact CG1-CD1 4.45Å; I584-I618 HydrophobicContact CG2-CD1 4.4Å
585M89.4Confident89.4Confident58 Ų5847.5 Ų47.529%0.28625%0.249SC..  trans-69.1-40.3170.4-75-74.6-116.500111.2Q524 F587 L596 L607 Y674Q524-M585 WeakPolarHBondContact CG-O 3.22Å; Q524-M585 PolarHBondContact NE2-O 3.46Å; M585-F587 PolarHBondContact O-N 3.03Å; M585-L596 HydrophobicContact CE-CD1 3.83Å; M585-L607 WeakPolarHBondContact CB-O 3.34Å; M585-L607 PolarHBondContact N-O 2.62Å; M585-Y674 HydrophobicContact CE-CD1 3.6Å; M585-Y674 HydrophobicContact CE-CE1 3.61Å
586G92.1Very high89.2Confident1 Ų149.4 Ų49.41%0.0126%0.259CS..BIsolated β-bridgetrans76.9-80.5169.600000113.1L607 R608 F609G586-L607 PolarHBondContact N-O 2.76Å; G586-R608 CarbonylContact O-C 3.55Å; G586-R608 VanDerWaalsContact O-CA 3.29Å; G586-R608 WeakPolarHBondContact O-CA 3.31Å; G586-R608 WeakPolarHBondContact O-CB 3.38Å; G586-F609 PolarHBondContact O-N 3.37Å
587F93.1Very high89Confident8 Ų846.3 Ų46.34%0.03524%0.243CC..  trans-104.1103.2-174.2-60-76.7000110.8F512 L520 Q524 M527 L528 W563 I564 I567 M585 F609F512-F587 AromaticContact CE1-CE2 3.93Å; F512-F587 HydrophobicContact CE1-CE2 3.93Å; F512-F587 HydrophobicContact CE1-CZ 4.24Å; F512-F587 HydrophobicContact CE2-CE2 4.46Å; F512-F587 AromaticContact CZ-CE2 3.67Å; F512-F587 HydrophobicContact CZ-CE2 3.67Å; F512-F587 AromaticContact CZ-CZ 3.71Å; F512-F587 HydrophobicContact CZ-CZ 3.71Å; L520-F587 HydrophobicContact CD2-CD2 3.85Å; L520-F587 HydrophobicContact CD2-CE2 3.69Å; Q524-F587 HydrophobicContact CB-CB 4.07Å; Q524-F587 HydrophobicContact CB-CD2 4.21Å; Q524-F587 HydrophobicContact CG-CB 4.18Å; Q524-F587 HydrophobicContact CG-CD2 4.3Å; M527-F587 HydrophobicContact SD-CB 4.07Å; L528-F587 HydrophobicContact CD1-CD1 4.46Å; L528-F587 HydrophobicContact CD1-CD2 4.38Å; L528-F587 HydrophobicContact CD1-CG 4.33Å; L528-F587 HydrophobicContact CD2-CD1 3.62Å; L528-F587 HydrophobicContact CD2-CE1 3.92Å; L528-F587 HydrophobicContact CD2-CG 4.15Å; L528-F587 HydrophobicContact CG-CB 4.45Å; L528-F587 HydrophobicContact CG-CD1 4.18Å; L528-F587 HydrophobicContact CG-CG 4.21Å; W563-F587 AromaticContact CH2-CD1 3.99Å; W563-F587 HydrophobicContact CH2-CD1 3.99Å; W563-F587 AromaticContact CH2-CE1 3.8Å; W563-F587 HydrophobicContact CH2-CE1 3.8Å; W563-F587 HydrophobicContact CZ2-CE1 4.23Å; W563-F587 HydrophobicContact CZ3-CE1 4.41Å; I564-F587 HydrophobicContact CD1-CE1 3.71Å; I564-F587 HydrophobicContact CD1-CZ 3.82Å; I567-F587 HydrophobicContact CD1-CE1 3.81Å; I567-F587 HydrophobicContact CD1-CZ 4.14Å; I567-F587 HydrophobicContact CG2-CZ 4.09Å; M585-F587 PolarHBondContact O-N 3.03Å; F587-F609 HydrophobicContact CD2-CD2 4.5Å; F587-F609 HydrophobicContact CE1-CD2 4.16Å; F587-F609 HydrophobicContact CE2-CD2 4.1Å; F587-F609 HydrophobicContact CE2-CE2 4.27Å; F587-F609 AromaticContact CZ-CD2 3.92Å; F587-F609 HydrophobicContact CZ-CD2 3.92Å; F587-F609 HydrophobicContact CZ-CE2 4.4Å
588I90.2Very high88.9Confident12 Ų1246.9 Ų46.96%0.06224%0.237CC..  trans-145.4137.2177-169.8167000110.1R592 E593 L596 L606 R608I588-R592 HydrophobicContact CD1-CB 4.36Å; I588-R592 HydrophobicContact CD1-CG 4.21Å; I588-R592 HydrophobicContact CG1-CB 3.99Å; I588-R592 HydrophobicContact CG1-CG 4.21Å; I588-E593 HydrophobicContact CD1-CB 4.21Å; I588-E593 HydrophobicContact CG1-CB 4.26Å; I588-E593 HydrophobicContact CG2-CB 4.3Å; I588-L596 HydrophobicContact CD1-CD1 3.49Å; I588-L596 VanDerWaalsContact CD1-CD1 3.49Å; I588-L596 HydrophobicContact CD1-CG 4.43Å; I588-L606 HydrophobicContact CG2-CD1 4.12Å; I588-R608 HydrophobicContact CG2-CB 3.77Å; I588-R608 HydrophobicContact CG2-CG 4.37Å
589S87.8Confident88.5Confident22 Ų2252.8 Ų52.815%0.15427%0.269CS..  trans-72.4151.2176670000110.2E591 R592 E593S589-E591 PolarHBondContact O-N 2.93Å; S589-R592 PolarHBondContact O-N 3.23Å; S589-R592 VanDerWaalsContact OG-CB 3.31Å; S589-R592 WeakPolarHBondContact OG-CB 3.45Å; S589-R592 PolarHBondContact OG-N 2.94Å; S589-E593 VanDerWaalsContact O-CB 3.22Å; S589-E593 WeakPolarHBondContact O-CB 3.43Å; S589-E593 PolarHBondContact O-N 3.06Å
590K86.2Confident88.1Confident116 Ų11654.8 Ų54.850%0.50428%0.278SS..Hα-helixtrans-58.3-31.7178.5-67.8-175.7-179.6-179.70112.8R594K590-R594 VanDerWaalsContact O-CG 3.29Å; K590-R594 WeakPolarHBondContact O-CG 3.21Å; K590-R594 PolarHBondContact O-N 3.23Å
591E86.9Confident87.9Confident153 Ų15358.5 Ų58.572%0.71530%0.295SS*.Hα-helixtrans-70-48.7177.9-65.5175.6-171.700111.1S589 R594 A595S589-E591 PolarHBondContact O-N 2.93Å; E591-R594 PolarHBondContact O-N 3.35Å; E591-A595 PolarHBondContact O-N 3.3Å
592R86.7Confident87.9Confident97 Ų9757.4 Ų57.437%0.36629%0.292SS..Hα-helixtrans-67.7-37.1177.8-168.1169.8-174.3-175-2.9112D523 I588 S589 A595 L596D523-R592 VanDerWaalsContact CG-NH2 3.32Å; D523-R592 IonicContact OD1-CZ 3.75Å; D523-R592 VanDerWaalsContact OD1-CZ 3.25Å; D523-R592 IonicContact OD1-NH1 3.99Å; D523-R592 PolarHBondContact OD1-NH1 3.16Å; D523-R592 IonicContact OD1-NH2 2.91Å; D523-R592 PolarHBondContact OD1-NH2 3.46Å; D523-R592 IonicContact OD2-NH2 3.25Å; I588-R592 HydrophobicContact CD1-CB 4.36Å; I588-R592 HydrophobicContact CD1-CG 4.21Å; I588-R592 HydrophobicContact CG1-CB 3.99Å; I588-R592 HydrophobicContact CG1-CG 4.21Å; S589-R592 PolarHBondContact O-N 3.23Å; S589-R592 VanDerWaalsContact OG-CB 3.31Å; S589-R592 WeakPolarHBondContact OG-CB 3.45Å; S589-R592 PolarHBondContact OG-N 2.94Å; R592-A595 PolarHBondContact O-N 3.07Å; R592-L596 WeakPolarHBondContact O-CG 3.16Å; R592-L596 PolarHBondContact O-N 3.29Å
593E88.6Confident87.7Confident7 Ų755.8 Ų55.83%0.03328%0.276CS..Hα-helixtrans-54.3-51.4172.4167.6174.3-127.100111.5I588 S589 L596 L597 L606 R608 T621I588-E593 HydrophobicContact CD1-CB 4.21Å; I588-E593 HydrophobicContact CG1-CB 4.26Å; I588-E593 HydrophobicContact CG2-CB 4.3Å; S589-E593 VanDerWaalsContact O-CB 3.22Å; S589-E593 WeakPolarHBondContact O-CB 3.43Å; S589-E593 PolarHBondContact O-N 3.06Å; E593-L596 PolarHBondContact O-N 2.92Å; E593-L597 HydrophobicContact CG-CD1 4.4Å; E593-L597 PolarHBondContact O-N 2.86Å; E593-L597 VanDerWaalsContact O-N 3.14Å; E593-L606 HydrophobicContact CG-CD1 4.02Å; E593-L606 HydrophobicContact CG-CD2 4.02Å; E593-L606 HydrophobicContact CG-CG 4.46Å; E593-L606 WeakPolarHBondContact OE1-CD1 3.3Å; E593-R608 VanDerWaalsContact OE1-CD 3.24Å; E593-R608 WeakPolarHBondContact OE1-CD 3.38Å; E593-R608 IonicContact OE1-CZ 2.77Å; E593-R608 IonicContact OE1-NE 3Å; E593-R608 PolarHBondContact OE1-NE 2.77Å; E593-R608 IonicContact OE1-NH2 3.8Å; E593-R608 IonicContact OE2-CZ 2.97Å; E593-R608 IonicContact OE2-NE 3.73Å; E593-R608 PolarHBondContact OE2-NE 2.81Å; E593-R608 IonicContact OE2-NH2 2.75Å; E593-T621 HydrophobicContact CG-CG2 4.26Å; E593-T621 WeakPolarHBondContact OE1-CB 3.36Å; E593-T621 PolarHBondContact OE1-OG1 2.8Å
594R87.6Confident87.7Confident144 Ų14455 Ų5554%0.54327%0.27SS..Hα-helixtrans-64.4-40.6177.4-71.3172.8-177.9-164.2-2.1111.9K590 E591 L596 L597 K598 F634K590-R594 VanDerWaalsContact O-CG 3.29Å; K590-R594 WeakPolarHBondContact O-CG 3.21Å; K590-R594 PolarHBondContact O-N 3.23Å; E591-R594 PolarHBondContact O-N 3.35Å; R594-L596 PolarHBondContact O-N 3.3Å; R594-L597 PolarHBondContact O-N 2.81Å; R594-K598 WeakPolarHBondContact O-CB 3.08Å; R594-K598 PolarHBondContact O-N 2.91Å; R594-F634 HydrophobicContact CB-CE1 4.36Å; R594-F634 HydrophobicContact CB-CE2 4.23Å; R594-F634 HydrophobicContact CB-CZ 4.08Å; R594-F634 HydrophobicContact CG-CD1 4.36Å; R594-F634 HydrophobicContact CG-CD2 4.04Å; R594-F634 HydrophobicContact CG-CE1 4.46Å; R594-F634 HydrophobicContact CG-CE2 4.14Å; R594-F634 HydrophobicContact CG-CG 4.14Å; R594-F634 HydrophobicContact CG-CZ 4.34Å
595A88.7Confident87.7Confident64 Ų6454.7 Ų54.753%0.52927%0.269SS..Hα-helixtrans-61.4-42.6177.400000112.2E591 R592 L597E591-A595 PolarHBondContact O-N 3.3Å; R592-A595 PolarHBondContact O-N 3.07Å; A595-L597 VanDerWaalsContact C-N 3.34Å; A595-L597 PolarHBondContact O-N 3.4Å
596L88.4Confident87.8Confident39 Ų3952 Ų5220%0.20426%0.256CS..Hα-helixtrans-68.1-33178.1-69.9-177.5000112.8M585 I588 R592 E593 R594 Q600 Y674M585-L596 HydrophobicContact CE-CD1 3.83Å; I588-L596 HydrophobicContact CD1-CD1 3.49Å; I588-L596 VanDerWaalsContact CD1-CD1 3.49Å; I588-L596 HydrophobicContact CD1-CG 4.43Å; R592-L596 WeakPolarHBondContact O-CG 3.16Å; R592-L596 PolarHBondContact O-N 3.29Å; E593-L596 PolarHBondContact O-N 2.92Å; R594-L596 PolarHBondContact O-N 3.3Å; L596-Q600 WeakPolarHBondContact O-CG 3.39Å; L596-Y674 HydrophobicContact CB-CE2 4.27Å
597L87.1Confident87.9Confident0 Ų052 Ų520%026%0.255CS..Hα-helixtrans-87.5-21.5-178.7-73.9176.7000114E593 R594 A595 D599 Q600 T604 L606 T621 V623 F634E593-L597 HydrophobicContact CG-CD1 4.4Å; E593-L597 PolarHBondContact O-N 2.86Å; E593-L597 VanDerWaalsContact O-N 3.14Å; R594-L597 PolarHBondContact O-N 2.81Å; A595-L597 VanDerWaalsContact C-N 3.34Å; A595-L597 PolarHBondContact O-N 3.4Å; L597-D599 VanDerWaalsContact C-N 3.3Å; L597-D599 PolarHBondContact O-N 2.81Å; L597-Q600 PolarHBondContact O-N 3.37Å; L597-T604 HydrophobicContact CD2-CG2 4.14Å; L597-L606 HydrophobicContact CD1-CD2 3.55Å; L597-L606 HydrophobicContact CD1-CG 4.17Å; L597-L606 HydrophobicContact CD2-CD2 3.86Å; L597-L606 HydrophobicContact CG-CD2 3.49Å; L597-L606 VanDerWaalsContact CG-CD2 3.49Å; L597-L606 HydrophobicContact CG-CG 4.5Å; L597-T621 HydrophobicContact CD1-CG2 3.91Å; L597-V623 HydrophobicContact CB-CB 4.29Å; L597-V623 HydrophobicContact CD2-CG1 4.45Å; L597-F634 HydrophobicContact CB-CD1 4.02Å; L597-F634 HydrophobicContact CB-CE1 3.56Å; L597-F634 HydrophobicContact CD1-CD1 4.23Å
598K86Confident87.9Confident80 Ų8052.7 Ų52.735%0.34826%0.258SS..Hα-helixtrans-54.7-43.9-174-168.7175.1-175.6164.20112.7R594 E631 P632 F634R594-K598 WeakPolarHBondContact O-CB 3.08Å; R594-K598 PolarHBondContact O-N 2.91Å; K598-E631 WeakPolarHBondContact CE-OE2 3.25Å; K598-E631 IonicContact NZ-OE1 3.11Å; K598-E631 PolarHBondContact NZ-OE1 2.95Å; K598-E631 IonicContact NZ-OE2 2.75Å; K598-E631 PolarHBondContact NZ-OE2 2.95Å; K598-E631 VanDerWaalsContact NZ-OE2 3.11Å; K598-P632 HydrophobicContact CB-CG 4.46Å; K598-P632 HydrophobicContact CG-CG 3.73Å; K598-F634 HydrophobicContact CB-CZ 4.32Å
599D83.2Confident88.1Confident131 Ų13152.3 Ų52.370%0.70126%0.256SS*.THydrogen-bonded Turntrans-9810.9-174.5-61.6-35.9000113.6L597L597-D599 VanDerWaalsContact C-N 3.3Å; L597-D599 PolarHBondContact O-N 2.81Å
600Q84.7Confident88.2Confident42 Ų4251.5 Ų51.520%0.19625%0.25CC..SBendtrans-94.3166-178.5-59.6-58.8-28.800112.9L596 L597 T604 Y674L596-Q600 WeakPolarHBondContact O-CG 3.39Å; L597-Q600 PolarHBondContact O-N 3.37Å; Q600-T604 HydrophobicContact CB-CG2 4.01Å; Q600-T604 HydrophobicContact CG-CG2 4.32Å; Q600-Y674 HydrophobicContact CG-CD2 4.48Å
601Q83.9Confident88.1Confident105 Ų10547.4 Ų47.449%0.49123%0.233SC..PPolyproline II helixtrans-68.3149178-61.6-170.95.400111.5G603 T604 V623Q601-G603 PolarHBondContact O-N 2.8Å; Q601-T604 WeakPolarHBondContact O-CB 3.29Å; Q601-T604 PolarHBondContact O-N 3.01Å; Q601-T604 VanDerWaalsContact O-N 3.07Å; Q601-T604 PolarHBondContact O-OG1 3.23Å; Q601-T604 VanDerWaalsContact O-OG1 3.08Å; Q601-V623 WeakPolarHBondContact O-CG1 3.38Å
602P85.4Confident87.9Confident65 Ų6544.2 Ų44.242%0.42223%0.227SC..THydrogen-bonded Turntrans-56.4133.8173.7-24.634.4000111.9R625P602-R625 HydrophobicContact CG-CB 4.07Å; P602-R625 HydrophobicContact CG-CG 4.07Å
603G83.4Confident87.6Confident5 Ų540.8 Ų40.85%0.05222%0.218CC..THydrogen-bonded Turntrans85.92.8-175.500000114.8Q601 V623 P669 K671 Y672Q601-G603 PolarHBondContact O-N 2.8Å; G603-V623 PolarHBondContact N-O 3.12Å; G603-P669 WeakPolarHBondContact CA-O 3.39Å; G603-K671 PolarHBondContact O-N 3.42Å; G603-Y672 PolarHBondContact O-N 3.31Å; G603-Y672 VanDerWaalsContact O-N 3.08Å
604T89.8Confident87.3Confident0 Ų048.6 Ų48.60%025%0.247CC..EExtended strand (participates in β ladder)trans-70.6129.5165.9-61.30000109.9L597 Q600 Q601 W622 V623 Y672L597-T604 HydrophobicContact CD2-CG2 4.14Å; Q600-T604 HydrophobicContact CB-CG2 4.01Å; Q600-T604 HydrophobicContact CG-CG2 4.32Å; Q601-T604 WeakPolarHBondContact O-CB 3.29Å; Q601-T604 PolarHBondContact O-N 3.01Å; Q601-T604 VanDerWaalsContact O-N 3.07Å; Q601-T604 PolarHBondContact O-OG1 3.23Å; Q601-T604 VanDerWaalsContact O-OG1 3.08Å; T604-W622 WeakPolarHBondContact O-CA 3.26Å; T604-V623 PolarHBondContact O-N 3.04Å; T604-Y672 CarbonylContact C-O 3.55Å; T604-Y672 WeakPolarHBondContact CA-O 3.47Å
605F91.8Very high86.9Confident0 Ų045.5 Ų45.50%024%0.239CC..EExtended strand (participates in β ladder)trans-131.5160.1-177.971.7-85.1000112.9L607 F620 T621 W622 I654 L670 Y672 L673 Y674 K679 F683F605-L607 HydrophobicContact CD2-CD2 4.03Å; F605-L607 HydrophobicContact CE2-CD2 3.95Å; F605-L607 HydrophobicContact CE2-CG 4.47Å; F605-F620 HydrophobicContact CD2-CB 4.44Å; F605-T621 CarbonylContact C-O 3.44Å; F605-T621 WeakPolarHBondContact CA-O 3.16Å; F605-T621 WeakPolarHBondContact CB-O 3.39Å; F605-W622 HydrophobicContact CB-CB 3.7Å; F605-I654 HydrophobicContact CE2-CG2 4.32Å; F605-I654 HydrophobicContact CZ-CG2 3.97Å; F605-L670 HydrophobicContact CB-CD2 3.77Å; F605-L670 HydrophobicContact CD1-CB 3.8Å; F605-L670 HydrophobicContact CD1-CD2 3.96Å; F605-L670 HydrophobicContact CD1-CG 4.42Å; F605-L670 HydrophobicContact CD2-CD2 4.27Å; F605-L670 HydrophobicContact CE1-CB 3.79Å; F605-L670 HydrophobicContact CG-CB 4.41Å; F605-L670 HydrophobicContact CG-CD2 3.76Å; F605-L670 HydrophobicContact CZ-CB 4.37Å; F605-Y672 WeakPolarHBondContact CD1-O 3.3Å; F605-Y672 WeakPolarHBondContact CE1-O 3.22Å; F605-Y672 PolarHBondContact N-O 3.14Å; F605-L673 HydrophobicContact CD2-CD1 4.18Å; F605-L673 HydrophobicContact CE1-CB 4.48Å; F605-L673 HydrophobicContact CE2-CD1 3.8Å; F605-L673 HydrophobicContact CZ-CB 4.27Å; F605-L673 HydrophobicContact CZ-CD1 4.22Å; F605-Y674 PolarHBondContact O-N 3.38Å; F605-K679 HydrophobicContact CE1-CB 4.38Å; F605-K679 HydrophobicContact CE1-CG 4.44Å; F605-K679 HydrophobicContact CZ-CG 4.35Å; F605-F683 AromaticContact CE2-CE2 3.99Å; F605-F683 HydrophobicContact CE2-CE2 3.99Å; F605-F683 HydrophobicContact CE2-CZ 4.39Å; F605-F683 HydrophobicContact CZ-CD2 4.43Å; F605-F683 AromaticContact CZ-CE2 3.69Å; F605-F683 HydrophobicContact CZ-CE2 3.69Å
606L92.2Very high86.8Confident1 Ų142.4 Ų42.41%0.00521%0.214CC..EExtended strand (participates in β ladder)trans-135.1151175.762.794.4000111.9I588 E593 L597 R608 F620 T621I588-L606 HydrophobicContact CG2-CD1 4.12Å; E593-L606 HydrophobicContact CG-CD1 4.02Å; E593-L606 HydrophobicContact CG-CD2 4.02Å; E593-L606 HydrophobicContact CG-CG 4.46Å; E593-L606 WeakPolarHBondContact OE1-CD1 3.3Å; L597-L606 HydrophobicContact CD1-CD2 3.55Å; L597-L606 HydrophobicContact CD1-CG 4.17Å; L597-L606 HydrophobicContact CD2-CD2 3.86Å; L597-L606 HydrophobicContact CG-CD2 3.49Å; L597-L606 VanDerWaalsContact CG-CD2 3.49Å; L597-L606 HydrophobicContact CG-CG 4.5Å; L606-R608 HydrophobicContact CD1-CB 4.38Å; L606-R608 HydrophobicContact CD1-CG 4.43Å; L606-F620 WeakPolarHBondContact O-CA 3.45Å; L606-T621 PolarHBondContact N-O 3.34Å; L606-T621 PolarHBondContact O-N 3.01Å
607L93.6Very high86.8Confident1 Ų140.6 Ų40.61%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-105.5122.2-177.4-55.6-176.9000110.3I584 M585 G586 F605 I618 F620 F650 I654 L673 F683I584-L607 HydrophobicContact CG1-CB 4.48Å; I584-L607 HydrophobicContact CG1-CD1 3.95Å; I584-L607 HydrophobicContact CG2-CB 4.35Å; M585-L607 WeakPolarHBondContact CB-O 3.34Å; M585-L607 PolarHBondContact N-O 2.62Å; G586-L607 PolarHBondContact N-O 2.76Å; F605-L607 HydrophobicContact CD2-CD2 4.03Å; F605-L607 HydrophobicContact CE2-CD2 3.95Å; F605-L607 HydrophobicContact CE2-CG 4.47Å; L607-I618 HydrophobicContact CB-CD1 4.45Å; L607-F620 HydrophobicContact CD2-CB 3.54Å; L607-F620 HydrophobicContact CD2-CG 4.47Å; L607-F650 HydrophobicContact CD1-CE1 3.88Å; L607-F650 HydrophobicContact CD2-CE1 3.86Å; L607-F650 HydrophobicContact CD2-CZ 3.97Å; L607-F650 HydrophobicContact CG-CE1 4.4Å; L607-I654 HydrophobicContact CD1-CD1 4.27Å; L607-I654 HydrophobicContact CD2-CD1 4.16Å; L607-L673 HydrophobicContact CG-CD1 4.26Å; L607-F683 HydrophobicContact CD1-CE1 3.98Å; L607-F683 HydrophobicContact CD1-CZ 3.68Å
608R93.9Very high87.1Confident22 Ų2240.6 Ų40.68%0.08320%0.204CC..EExtended strand (participates in β ladder)trans-136.3156.7178.468.4170.3176.369.312.1113.2G586 I588 E593 L606 T619G586-R608 CarbonylContact O-C 3.55Å; G586-R608 VanDerWaalsContact O-CA 3.29Å; G586-R608 WeakPolarHBondContact O-CA 3.31Å; G586-R608 WeakPolarHBondContact O-CB 3.38Å; I588-R608 HydrophobicContact CG2-CB 3.77Å; I588-R608 HydrophobicContact CG2-CG 4.37Å; E593-R608 VanDerWaalsContact OE1-CD 3.24Å; E593-R608 WeakPolarHBondContact OE1-CD 3.38Å; E593-R608 IonicContact OE1-CZ 2.77Å; E593-R608 IonicContact OE1-NE 3Å; E593-R608 PolarHBondContact OE1-NE 2.77Å; E593-R608 IonicContact OE1-NH2 3.8Å; E593-R608 IonicContact OE2-CZ 2.97Å; E593-R608 IonicContact OE2-NE 3.73Å; E593-R608 PolarHBondContact OE2-NE 2.81Å; E593-R608 IonicContact OE2-NH2 2.75Å; L606-R608 HydrophobicContact CD1-CB 4.38Å; L606-R608 HydrophobicContact CD1-CG 4.43Å; R608-T619 HydrophobicContact CG-CG2 3.79Å; R608-T619 PolarHBondContact N-O 3.03Å; R608-T619 PolarHBondContact O-N 2.97Å; R608-T619 VanDerWaalsContact O-O 3.05Å
609F94.3Very high87.5Confident4 Ų436.8 Ų36.82%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-78.9143.5173.1-62.9-59.6000111I567 I571 L575 W579 I584 G586 F587 E611 A617 I618I567-F609 HydrophobicContact CD1-CB 3.74Å; I567-F609 HydrophobicContact CD1-CD2 4.43Å; I567-F609 HydrophobicContact CD1-CG 4.08Å; I567-F609 HydrophobicContact CG1-CB 4.23Å; I567-F609 HydrophobicContact CG1-CD1 4.46Å; I567-F609 HydrophobicContact CG1-CG 4.23Å; I567-F609 HydrophobicContact CG2-CD1 3.86Å; I567-F609 HydrophobicContact CG2-CD2 3.59Å; I567-F609 HydrophobicContact CG2-CE1 3.91Å; I567-F609 HydrophobicContact CG2-CE2 3.64Å; I567-F609 HydrophobicContact CG2-CG 3.72Å; I567-F609 HydrophobicContact CG2-CZ 3.82Å; I571-F609 HydrophobicContact CD1-CE1 4.4Å; I571-F609 HydrophobicContact CD1-CE2 3.93Å; I571-F609 HydrophobicContact CD1-CZ 3.52Å; I571-F609 HydrophobicContact CG1-CE1 4.07Å; I571-F609 HydrophobicContact CG1-CE2 4.46Å; I571-F609 HydrophobicContact CG1-CZ 3.57Å; L575-F609 HydrophobicContact CD1-CE1 4.07Å; W579-F609 HydrophobicContact CE3-CE2 4.26Å; W579-F609 HydrophobicContact CE3-CZ 4.24Å; W579-F609 AromaticContact CZ3-CE2 3.8Å; W579-F609 HydrophobicContact CZ3-CE2 3.8Å; W579-F609 HydrophobicContact CZ3-CZ 4.25Å; I584-F609 HydrophobicContact CG2-CE2 4.36Å; I584-F609 HydrophobicContact CG2-CZ 4.12Å; G586-F609 PolarHBondContact O-N 3.37Å; F587-F609 HydrophobicContact CD2-CD2 4.5Å; F587-F609 HydrophobicContact CE1-CD2 4.16Å; F587-F609 HydrophobicContact CE2-CD2 4.1Å; F587-F609 HydrophobicContact CE2-CE2 4.27Å; F587-F609 AromaticContact CZ-CD2 3.92Å; F587-F609 HydrophobicContact CZ-CD2 3.92Å; F587-F609 HydrophobicContact CZ-CE2 4.4Å; F609-E611 PolarHBondContact O-N 3.39Å; F609-A617 CarbonylContact C-O 3.59Å; F609-A617 WeakPolarHBondContact CA-O 3.16Å; F609-I618 HydrophobicContact CD1-CB 4.35Å; F609-I618 HydrophobicContact CE1-CB 4.47Å; F609-I618 HydrophobicContact CE1-CD1 4.35Å
610S89.4Confident87.9Confident5 Ų530.6 Ų30.64%0.03515%0.154CC..  trans-70.5126.2175.5-178.50000110.3W563 S612 S613 A617 P639W563-S610 PolarHBondContact NE1-O 3.34Å; S610-S612 VanDerWaalsContact C-N 3.3Å; S610-S612 PolarHBondContact OG-N 2.97Å; S610-S613 PolarHBondContact OG-N 3.27Å; S610-A617 PolarHBondContact N-O 2.83Å; S610-P639 WeakPolarHBondContact OG-CG 3.17Å
611E85.3Confident88.1Confident30 Ų3028.8 Ų28.814%0.1415%0.146CC..SBendtrans-82.5-11.3173.1-60.4-169-112.100113.1M527 K531 K556 F558 W563 F609M527-E611 HydrophobicContact CE-CG 4.06Å; M527-E611 WeakPolarHBondContact CE-OE1 3.45Å; K531-E611 WeakPolarHBondContact CE-OE2 3.42Å; K531-E611 IonicContact NZ-OE2 3.02Å; K531-E611 PolarHBondContact NZ-OE2 3.4Å; K556-E611 WeakPolarHBondContact CD-O 3.28Å; K556-E611 WeakPolarHBondContact CE-O 3.49Å; K556-E611 PolarHBondContact NZ-O 3.17Å; F558-E611 WeakPolarHBondContact CZ-O 2.69Å; W563-E611 HydrophobicContact CZ2-CG 4.19Å; F609-E611 PolarHBondContact O-N 3.39Å
612S81.9Confident88.4Confident86 Ų8624.1 Ų24.160%0.60112%0.124SC*.SBendtrans-103.6-19-173.9-57.20000113.1S610S610-S612 VanDerWaalsContact C-N 3.3Å; S610-S612 PolarHBondContact OG-N 2.97Å
613S81.3Confident88.5Confident25 Ų2521 Ų2118%0.17510%0.104CC..  trans-85.3125.8-180-176.80000111.4S610 E615S610-S613 PolarHBondContact OG-N 3.27Å; S613-E615 VanDerWaalsContact C-N 3.32Å; S613-E615 PolarHBondContact OG-N 3.46Å
614R81.4Confident88.6Confident171 Ų17124 Ų2465%0.64512%0.116SC*.THydrogen-bonded Turntrans-68.1-32.7172.9-168.1-177.691.2177.94.3112.2F558 T566 G616F558-R614 HydrophobicContact CB-CG 4.02Å; F558-R614 HydrophobicContact CD1-CB 3.96Å; F558-R614 HydrophobicContact CD1-CG 4.11Å; F558-R614 HydrophobicContact CE1-CB 4.43Å; F558-R614 HydrophobicContact CG-CG 4.24Å; T566-R614 PolarHBondContact OG1-O 2.77Å; R614-G616 PolarHBondContact O-N 3.29Å
615E80.1Confident87.9Confident79 Ų7930.4 Ų30.437%0.36914%0.141SC..THydrogen-bonded Turntrans-83.91.4-172-60.1-162.616100113.6S613S613-E615 VanDerWaalsContact C-N 3.32Å; S613-E615 PolarHBondContact OG-N 3.46Å
616G85.3Confident86.7Confident0 Ų033.4 Ų33.40%016%0.162CC..  trans72.9123-170.900000110.2R614R614-G616 PolarHBondContact O-N 3.29Å
617A89.8Confident85.1Confident0 Ų041.3 Ų41.30%020%0.199CC..EExtended strand (participates in β ladder)trans-147.9153179.500000110.7F609 S610 P639 Y640 T641F609-A617 CarbonylContact C-O 3.59Å; F609-A617 WeakPolarHBondContact CA-O 3.16Å; S610-A617 PolarHBondContact N-O 2.83Å; A617-P639 HydrophobicContact CB-CB 3.43Å; A617-P639 VanDerWaalsContact CB-CB 3.43Å; A617-Y640 CarbonylContact C-O 3.51Å; A617-Y640 WeakPolarHBondContact CA-O 3.36Å; A617-Y640 VanDerWaalsContact CB-O 3.26Å; A617-Y640 WeakPolarHBondContact CB-O 3.36Å; A617-T641 HydrophobicContact CB-CG2 4.09Å
618I93Very high83.2Confident0 Ų048.5 Ų48.50%024%0.237CC..EExtended strand (participates in β ladder)trans-109.3141.3173.2-171.4161.9000109.5L570 L575 I584 L607 F609 Y640 L645 F650L570-I618 HydrophobicContact CD2-CB 4.46Å; L575-I618 HydrophobicContact CD1-CB 4.13Å; L575-I618 HydrophobicContact CD1-CD1 3.69Å; L575-I618 HydrophobicContact CD1-CG2 4.14Å; L575-I618 HydrophobicContact CD2-CD1 4.44Å; I584-I618 HydrophobicContact CD1-CD1 4.01Å; I584-I618 HydrophobicContact CG1-CD1 4.45Å; I584-I618 HydrophobicContact CG2-CD1 4.4Å; L607-I618 HydrophobicContact CB-CD1 4.45Å; F609-I618 HydrophobicContact CD1-CB 4.35Å; F609-I618 HydrophobicContact CE1-CB 4.47Å; F609-I618 HydrophobicContact CE1-CD1 4.35Å; I618-Y640 PolarHBondContact N-O 2.89Å; I618-Y640 PolarHBondContact O-N 3.1Å; I618-L645 HydrophobicContact CG2-CD1 4.18Å; I618-F650 HydrophobicContact CB-CZ 4.4Å; I618-F650 HydrophobicContact CD1-CD1 4.14Å; I618-F650 HydrophobicContact CD1-CE1 3.5Å; I618-F650 HydrophobicContact CD1-CZ 3.79Å; I618-F650 HydrophobicContact CG1-CE1 4.03Å; I618-F650 HydrophobicContact CG1-CE2 4.39Å; I618-F650 HydrophobicContact CG1-CZ 3.75Å; I618-F650 HydrophobicContact CG2-CD2 3.86Å; I618-F650 HydrophobicContact CG2-CE1 4.32Å; I618-F650 HydrophobicContact CG2-CE2 3.56Å; I618-F650 HydrophobicContact CG2-CG 4.38Å; I618-F650 HydrophobicContact CG2-CZ 3.81Å
619T92.8Very high81.4Confident1 Ų151 Ų511%0.00627%0.27CS..EExtended strand (participates in β ladder)trans-134.3159.6174.5-178.60000108.6R608 V637R608-T619 HydrophobicContact CG-CG2 3.79Å; R608-T619 PolarHBondContact N-O 3.03Å; R608-T619 PolarHBondContact O-N 2.97Å; R608-T619 VanDerWaalsContact O-O 3.05Å; T619-V637 WeakPolarHBondContact OG1-CG2 3.11Å; T619-V637 PolarHBondContact OG1-O 3.18Å
620F91.8Very high79.8Confident0 Ų053.1 Ų53.10%029%0.293CS..EExtended strand (participates in β ladder)trans-123.2144.1171.253.6-101.9000110.2F605 L606 L607 W622 V637 Y640 F650 I653 Y657 L670F605-F620 HydrophobicContact CD2-CB 4.44Å; L606-F620 WeakPolarHBondContact O-CA 3.45Å; L607-F620 HydrophobicContact CD2-CB 3.54Å; L607-F620 HydrophobicContact CD2-CG 4.47Å; F620-W622 AromaticContact CD2-CE3 3.98Å; F620-W622 HydrophobicContact CD2-CE3 3.98Å; F620-W622 HydrophobicContact CD2-CZ3 4.13Å; F620-W622 HydrophobicContact CE2-CE3 4.19Å; F620-W622 AromaticContact CE2-CZ3 3.99Å; F620-W622 HydrophobicContact CE2-CZ3 3.99Å; F620-V637 HydrophobicContact CD1-CG2 3.91Å; F620-V637 HydrophobicContact CD2-CG1 4.07Å; F620-V637 HydrophobicContact CD2-CG2 3.93Å; F620-V637 HydrophobicContact CE1-CG1 4.41Å; F620-V637 HydrophobicContact CE1-CG2 3.85Å; F620-V637 HydrophobicContact CE2-CB 4.26Å; F620-V637 HydrophobicContact CE2-CG1 3.35Å; F620-V637 HydrophobicContact CE2-CG2 3.86Å; F620-V637 HydrophobicContact CG-CG2 3.95Å; F620-V637 HydrophobicContact CZ-CB 4.29Å; F620-V637 HydrophobicContact CZ-CG1 3.55Å; F620-V637 HydrophobicContact CZ-CG2 3.82Å; F620-V637 PolarHBondContact O-N 3.21Å; F620-Y640 HydrophobicContact CD1-CE2 4.41Å; F620-Y640 HydrophobicContact CE1-CD2 4.38Å; F620-Y640 AromaticContact CE1-CE2 3.63Å; F620-Y640 HydrophobicContact CE1-CE2 3.63Å; F620-Y640 HydrophobicContact CZ-CE2 4.2Å; F620-F650 HydrophobicContact CD1-CE2 4.15Å; F620-F650 AromaticContact CD1-CZ 3.98Å; F620-F650 HydrophobicContact CD1-CZ 3.98Å; F620-F650 HydrophobicContact CE1-CE2 4.44Å; F620-I653 HydrophobicContact CE1-CG2 4.28Å; F620-Y657 AromaticContact CE2-CD1 3.88Å; F620-Y657 HydrophobicContact CE2-CD1 3.88Å; F620-Y657 AromaticContact CE2-CE1 3.73Å; F620-Y657 HydrophobicContact CE2-CE1 3.73Å; F620-Y657 HydrophobicContact CE2-CE2 4.47Å; F620-Y657 HydrophobicContact CE2-CG 4.32Å; F620-Y657 AromaticContact CZ-CD1 3.92Å; F620-Y657 HydrophobicContact CZ-CD1 3.92Å; F620-Y657 AromaticContact CZ-CD2 3.91Å; F620-Y657 HydrophobicContact CZ-CD2 3.91Å; F620-Y657 HydrophobicContact CZ-CE1 4.01Å; F620-Y657 HydrophobicContact CZ-CE2 4.03Å; F620-Y657 AromaticContact CZ-CG 3.87Å; F620-Y657 HydrophobicContact CZ-CG 3.87Å; F620-L670 HydrophobicContact CD2-CD1 4.07Å; F620-L670 HydrophobicContact CD2-CD2 3.83Å; F620-L670 HydrophobicContact CE2-CD1 3.77Å; F620-L670 HydrophobicContact CE2-CD2 3.99Å; F620-L670 HydrophobicContact CE2-CG 4.35Å; F620-L670 HydrophobicContact CZ-CD1 4.02Å
621T89.7Confident78.9Confident4 Ų459.3 Ų59.33%0.02532%0.321CS..EExtended strand (participates in β ladder)trans-123.6135.3179.2-54.80000108.2E593 L597 F605 L606 H635 A636E593-T621 HydrophobicContact CG-CG2 4.26Å; E593-T621 WeakPolarHBondContact OE1-CB 3.36Å; E593-T621 PolarHBondContact OE1-OG1 2.8Å; L597-T621 HydrophobicContact CD1-CG2 3.91Å; F605-T621 CarbonylContact C-O 3.44Å; F605-T621 WeakPolarHBondContact CA-O 3.16Å; F605-T621 WeakPolarHBondContact CB-O 3.39Å; L606-T621 PolarHBondContact N-O 3.34Å; L606-T621 PolarHBondContact O-N 3.01Å; T621-H635 CarbonylContact C-O 3.58Å; T621-H635 WeakPolarHBondContact CA-O 3.48Å; T621-H635 VanDerWaalsContact CG2-O 3.3Å; T621-H635 WeakPolarHBondContact CG2-O 3.11Å; T621-A636 HydrophobicContact CG2-CB 4.3Å
622W89.8Confident78.6Confident8 Ų858.6 Ų58.63%0.0332%0.319CS..EExtended strand (participates in β ladder)trans-131160.2179.372.598.3000111.4T604 F605 F620 E624 H635 V637 Y657 V659 P669 L670T604-W622 WeakPolarHBondContact O-CA 3.26Å; F605-W622 HydrophobicContact CB-CB 3.7Å; F620-W622 AromaticContact CD2-CE3 3.98Å; F620-W622 HydrophobicContact CD2-CE3 3.98Å; F620-W622 HydrophobicContact CD2-CZ3 4.13Å; F620-W622 HydrophobicContact CE2-CE3 4.19Å; F620-W622 AromaticContact CE2-CZ3 3.99Å; F620-W622 HydrophobicContact CE2-CZ3 3.99Å; W622-E624 PolarHBondContact NE1-OE1 3.39Å; W622-H635 HydrophobicContact CD2-CB 3.73Å; W622-H635 HydrophobicContact CE3-CB 3.98Å; W622-H635 VanDerWaalsContact CE3-O 3.25Å; W622-H635 HydrophobicContact CG-CB 4.46Å; W622-H635 HydrophobicContact CH2-CB 3.55Å; W622-H635 HydrophobicContact CZ2-CB 3.28Å; W622-H635 AromaticContact CZ2-CG 3.93Å; W622-H635 HydrophobicContact CZ3-CB 3.87Å; W622-H635 PolarHBondContact N-O 3.23Å; W622-H635 PolarHBondContact O-N 3.34Å; W622-V637 HydrophobicContact CH2-CG1 4.19Å; W622-V637 HydrophobicContact CZ3-CG1 3.78Å; W622-Y657 HydrophobicContact CH2-CE1 4.03Å; W622-Y657 HydrophobicContact CZ2-CE1 4.48Å; W622-Y657 HydrophobicContact CZ3-CE1 4.34Å; W622-V659 HydrophobicContact CH2-CG2 4.35Å; W622-V659 HydrophobicContact CZ2-CG2 4.1Å; W622-P669 HydrophobicContact CD2-CG 4.29Å; W622-P669 HydrophobicContact CG-CB 4.43Å; W622-P669 HydrophobicContact CZ2-CB 4.43Å; W622-P669 HydrophobicContact CZ2-CG 3.86Å; W622-P669 VanDerWaalsContact NE1-CB 3.34Å; W622-L670 HydrophobicContact CB-CD2 4.11Å; W622-L670 HydrophobicContact CD2-CD2 4.31Å; W622-L670 HydrophobicContact CE3-CD2 4.3Å; W622-L670 HydrophobicContact CG-CD2 4.28Å
623V88.9Confident78.6Confident0 Ų058.1 Ų58.10%031%0.31CS..EExtended strand (participates in β ladder)trans-107.1134.8177.265.10000111L597 Q601 G603 T604 P632 D633 F634L597-V623 HydrophobicContact CB-CB 4.29Å; L597-V623 HydrophobicContact CD2-CG1 4.45Å; Q601-V623 WeakPolarHBondContact O-CG1 3.38Å; G603-V623 PolarHBondContact N-O 3.12Å; T604-V623 PolarHBondContact O-N 3.04Å; V623-P632 HydrophobicContact CG2-CB 3.47Å; V623-P632 VanDerWaalsContact CG2-CB 3.47Å; V623-D633 WeakPolarHBondContact CA-O 3.45Å; V623-F634 HydrophobicContact CB-CD1 4.42Å; V623-F634 HydrophobicContact CB-CE1 4.46Å; V623-F634 HydrophobicContact CG2-CD1 4.39Å; V623-F634 HydrophobicContact CG2-CE1 4.17Å
624E83.9Confident78.7Confident66 Ų6659.7 Ų59.731%0.30831%0.314SS..EExtended strand (participates in β ladder)trans-120.9150.5170.1-70.9-178.8-171.500109.5W622 D633 H635 P669W622-E624 PolarHBondContact NE1-OE1 3.39Å; E624-D633 PolarHBondContact N-O 3.08Å; E624-D633 PolarHBondContact O-N 3.07Å; E624-H635 IonicContact OE2-NE2 3.71Å; E624-P669 WeakPolarHBondContact OE1-CB 3.49Å
625R75.9Confident78.9Confident136 Ų13653.5 Ų53.551%0.51329%0.292SS..  trans-117122.5170.6-71.1-171.7-178.6-165.8-1.3108.2P602P602-R625 HydrophobicContact CG-CB 4.07Å; P602-R625 HydrophobicContact CG-CG 4.07Å
626S65.5Low79.2Confident63 Ų6352.4 Ų52.444%0.44130%0.297SS..  trans-64.7145.8169.8-178.90000110.3N628 G629S626-N628 PolarHBondContact O-N 2.69Å; S626-G629 PolarHBondContact O-N 2.88Å
627Q60Low79.4Confident167 Ų16753 Ų5378%0.7830%0.3SS*.THydrogen-bonded Turntrans-58.4-13.8-177.1-65.8178.5900113.4E663Q627-E663 PolarHBondContact NE2-OE1 2.84Å
628N53.4Low79.2Confident151 Ų15161.2 Ų61.281%0.80734%0.338SS*.THydrogen-bonded Turntrans-92.813-175.6-65.2-13000115.3S626 G630S626-N628 PolarHBondContact O-N 2.69Å; N628-G630 VanDerWaalsContact C-N 3.34Å; N628-G630 PolarHBondContact O-N 3.21Å
629G55.7Low79Confident76 Ų7663.2 Ų63.278%0.78435%0.352SS*.  trans70.424.7174.200000115.2S626S626-G629 PolarHBondContact O-N 2.88Å
630G61.1Low78.9Confident48 Ų4864.2 Ų64.250%0.49536%0.356SS..  trans-77.6174.917700000114.5N628N628-G630 VanDerWaalsContact C-N 3.34Å; N628-G630 PolarHBondContact O-N 3.21Å
631E71Confident78.9Confident134 Ų13465.2 Ų65.263%0.62636%0.362SS*.SBendtrans-54145.4169.8-81.6-94152.200110.4K598 D633K598-E631 WeakPolarHBondContact CE-OE2 3.25Å; K598-E631 IonicContact NZ-OE1 3.11Å; K598-E631 PolarHBondContact NZ-OE1 2.95Å; K598-E631 IonicContact NZ-OE2 2.75Å; K598-E631 PolarHBondContact NZ-OE2 2.95Å; K598-E631 VanDerWaalsContact NZ-OE2 3.11Å; E631-D633 PolarHBondContact O-N 3.14Å
632P77.8Confident78.9Confident15 Ų1569.6 Ų69.610%0.09738%0.38CS..PPolyproline II helixtrans-61.6131.7-179.720.5-28.5000112K598 V623 F634K598-P632 HydrophobicContact CB-CG 4.46Å; K598-P632 HydrophobicContact CG-CG 3.73Å; V623-P632 HydrophobicContact CG2-CB 3.47Å; V623-P632 VanDerWaalsContact CG2-CB 3.47Å; P632-F634 HydrophobicContact CB-CZ 4.26Å; P632-F634 HydrophobicContact CG-CE2 4.37Å; P632-F634 HydrophobicContact CG-CZ 4.04Å; P632-F634 WeakPolarHBondContact O-CE2 3.32Å
633D82.3Confident78.8Confident77 Ų7775.5 Ų75.541%0.41241%0.406SS..EExtended strand (participates in β ladder)trans-87130175.6-79-45.9000110.1V623 E624 E631V623-D633 WeakPolarHBondContact CA-O 3.45Å; E624-D633 PolarHBondContact N-O 3.08Å; E624-D633 PolarHBondContact O-N 3.07Å; E631-D633 PolarHBondContact O-N 3.14Å
634F84.6Confident78.7Confident57 Ų5779.3 Ų79.325%0.2542%0.424CS..EExtended strand (participates in β ladder)trans-106121.9178.9-56.1-80000110.3R594 L597 K598 V623 P632R594-F634 HydrophobicContact CB-CE1 4.36Å; R594-F634 HydrophobicContact CB-CE2 4.23Å; R594-F634 HydrophobicContact CB-CZ 4.08Å; R594-F634 HydrophobicContact CG-CD1 4.36Å; R594-F634 HydrophobicContact CG-CD2 4.04Å; R594-F634 HydrophobicContact CG-CE1 4.46Å; R594-F634 HydrophobicContact CG-CE2 4.14Å; R594-F634 HydrophobicContact CG-CG 4.14Å; R594-F634 HydrophobicContact CG-CZ 4.34Å; L597-F634 HydrophobicContact CB-CD1 4.02Å; L597-F634 HydrophobicContact CB-CE1 3.56Å; L597-F634 HydrophobicContact CD1-CD1 4.23Å; K598-F634 HydrophobicContact CB-CZ 4.32Å; V623-F634 HydrophobicContact CB-CD1 4.42Å; V623-F634 HydrophobicContact CB-CE1 4.46Å; V623-F634 HydrophobicContact CG2-CD1 4.39Å; V623-F634 HydrophobicContact CG2-CE1 4.17Å; P632-F634 HydrophobicContact CB-CZ 4.26Å; P632-F634 HydrophobicContact CG-CE2 4.37Å; P632-F634 HydrophobicContact CG-CZ 4.04Å; P632-F634 WeakPolarHBondContact O-CE2 3.32Å
635H85.4Confident78.9Confident42 Ų4276.5 Ų76.519%0.19441%0.411CS..EExtended strand (participates in β ladder)trans-113.9137.6178.3-62.4-96000109.8T621 W622 E624T621-H635 CarbonylContact C-O 3.58Å; T621-H635 WeakPolarHBondContact CA-O 3.48Å; T621-H635 VanDerWaalsContact CG2-O 3.3Å; T621-H635 WeakPolarHBondContact CG2-O 3.11Å; W622-H635 HydrophobicContact CD2-CB 3.73Å; W622-H635 HydrophobicContact CE3-CB 3.98Å; W622-H635 VanDerWaalsContact CE3-O 3.25Å; W622-H635 HydrophobicContact CG-CB 4.46Å; W622-H635 HydrophobicContact CH2-CB 3.55Å; W622-H635 HydrophobicContact CZ2-CB 3.28Å; W622-H635 AromaticContact CZ2-CG 3.93Å; W622-H635 HydrophobicContact CZ3-CB 3.87Å; W622-H635 PolarHBondContact N-O 3.23Å; W622-H635 PolarHBondContact O-N 3.34Å; E624-H635 IonicContact OE2-NE2 3.71Å
636A86.7Confident79.4Confident56 Ų5674.4 Ų74.446%0.46342%0.417SS..EExtended strand (participates in β ladder)trans-134.6137.1176.900000109.7T621T621-A636 HydrophobicContact CG2-CB 4.3Å
637V87.4Confident80.4Confident12 Ų1274.7 Ų74.77%0.07342%0.424CS..PPolyproline II helixtrans-78.5155.8177-68.40000112.4T619 F620 W622 Y640 Y657T619-V637 WeakPolarHBondContact OG1-CG2 3.11Å; T619-V637 PolarHBondContact OG1-O 3.18Å; F620-V637 HydrophobicContact CD1-CG2 3.91Å; F620-V637 HydrophobicContact CD2-CG1 4.07Å; F620-V637 HydrophobicContact CD2-CG2 3.93Å; F620-V637 HydrophobicContact CE1-CG1 4.41Å; F620-V637 HydrophobicContact CE1-CG2 3.85Å; F620-V637 HydrophobicContact CE2-CB 4.26Å; F620-V637 HydrophobicContact CE2-CG1 3.35Å; F620-V637 HydrophobicContact CE2-CG2 3.86Å; F620-V637 HydrophobicContact CG-CG2 3.95Å; F620-V637 HydrophobicContact CZ-CB 4.29Å; F620-V637 HydrophobicContact CZ-CG1 3.55Å; F620-V637 HydrophobicContact CZ-CG2 3.82Å; F620-V637 PolarHBondContact O-N 3.21Å; W622-V637 HydrophobicContact CH2-CG1 4.19Å; W622-V637 HydrophobicContact CZ3-CG1 3.78Å; V637-Y640 HydrophobicContact CB-CE2 4.38Å; V637-Y640 HydrophobicContact CG2-CD2 4.37Å; V637-Y640 HydrophobicContact CG2-CE2 3.84Å; V637-Y657 HydrophobicContact CG1-CE1 4.21Å; V637-Y657 HydrophobicContact CG1-CE2 3.88Å; V637-Y657 VanDerWaalsContact CG1-CZ 3.48Å; V637-Y657 WeakPolarHBondContact CG1-OH 3.46Å
638E86.3Confident81.6Confident172 Ų17268.2 Ų68.280%0.80440%0.395SS*.PPolyproline II helixtrans-56.3132.4164.8-169172.4-170.600109.5Y640E638-Y640 PolarHBondContact O-N 3.13Å
639P89.9Confident83.3Confident43 Ų4363.8 Ų63.828%0.27937%0.374SS..PPolyproline II helixtrans-62.6129.8-174.1-2534.6000114.1S610 A617S610-P639 WeakPolarHBondContact OG-CG 3.17Å; A617-P639 HydrophobicContact CB-CB 3.43Å; A617-P639 VanDerWaalsContact CB-CB 3.43Å
640Y90Very high84.9Confident22 Ų2260.3 Ų60.39%0.08634%0.337CS..EExtended strand (participates in β ladder)trans-78.1122.3174.4-64.4-79.1000111A617 I618 F620 V637 E638 E644 F650 I653A617-Y640 CarbonylContact C-O 3.51Å; A617-Y640 WeakPolarHBondContact CA-O 3.36Å; A617-Y640 VanDerWaalsContact CB-O 3.26Å; A617-Y640 WeakPolarHBondContact CB-O 3.36Å; I618-Y640 PolarHBondContact N-O 2.89Å; I618-Y640 PolarHBondContact O-N 3.1Å; F620-Y640 HydrophobicContact CD1-CE2 4.41Å; F620-Y640 HydrophobicContact CE1-CD2 4.38Å; F620-Y640 AromaticContact CE1-CE2 3.63Å; F620-Y640 HydrophobicContact CE1-CE2 3.63Å; F620-Y640 HydrophobicContact CZ-CE2 4.2Å; V637-Y640 HydrophobicContact CB-CE2 4.38Å; V637-Y640 HydrophobicContact CG2-CD2 4.37Å; V637-Y640 HydrophobicContact CG2-CE2 3.84Å; E638-Y640 PolarHBondContact O-N 3.13Å; Y640-E644 HydrophobicContact CD1-CB 3.79Å; Y640-E644 HydrophobicContact CD1-CG 4.08Å; Y640-F650 HydrophobicContact CD2-CE2 4.06Å; Y640-I653 HydrophobicContact CD1-CD1 4.03Å; Y640-I653 HydrophobicContact CE1-CD1 4.12Å; Y640-I653 HydrophobicContact CE1-CG2 4.2Å; Y640-I653 HydrophobicContact CE2-CG2 3.96Å; Y640-I653 HydrophobicContact CG-CD1 4.42Å
641T91.7Very high86.3Confident21 Ų2158.3 Ų58.313%0.12932%0.316CS..EExtended strand (participates in β ladder)trans-95.2179.6176.577.40000110.5A617 K643 E644 L645A617-T641 HydrophobicContact CB-CG2 4.09Å; T641-K643 PolarHBondContact O-N 2.54Å; T641-K643 VanDerWaalsContact O-N 3.09Å; T641-K643 PolarHBondContact OG1-N 2.93Å; T641-K643 VanDerWaalsContact OG1-N 3.16Å; T641-E644 VanDerWaalsContact CA-OE2 3.31Å; T641-E644 WeakPolarHBondContact CA-OE2 3.42Å; T641-E644 WeakPolarHBondContact CB-OE2 3.3Å; T641-E644 PolarHBondContact N-OE2 3.07Å; T641-E644 PolarHBondContact O-N 2.77Å; T641-E644 PolarHBondContact OG1-OE2 2.98Å; T641-L645 WeakPolarHBondContact O-CB 3.35Å; T641-L645 WeakPolarHBondContact O-CD1 3.22Å; T641-L645 VanDerWaalsContact O-CG 3.29Å; T641-L645 WeakPolarHBondContact O-CG 3.01Å; T641-L645 PolarHBondContact O-N 3.46Å; T641-L645 VanDerWaalsContact O-N 3.1Å
642K88.9Confident87.1Confident96 Ų9652.8 Ų52.842%0.41729%0.29SS..Hα-helixtrans-53.1-26.317167.6-177.3177.6-172.50114L570 S646L570-K642 HydrophobicContact CD1-CB 4.26Å; K642-S646 VanDerWaalsContact O-CB 3.24Å; K642-S646 WeakPolarHBondContact O-CB 3.4Å; K642-S646 PolarHBondContact O-N 2.91Å; K642-S646 PolarHBondContact O-OG 2.94Å
643K87.8Confident87.6Confident132 Ų13252.3 Ų52.357%0.57429%0.287SS*.Hα-helixtrans-67.4-51.2-178.6-67.2-178.8-176.3173.40110.4T641 S646T641-K643 PolarHBondContact O-N 2.54Å; T641-K643 VanDerWaalsContact O-N 3.09Å; T641-K643 PolarHBondContact OG1-N 2.93Å; T641-K643 VanDerWaalsContact OG1-N 3.16Å; K643-S646 PolarHBondContact O-N 3.37Å; K643-S646 PolarHBondContact O-OG 3.09Å
644E87.1Confident87.9Confident79 Ų7948.7 Ų48.737%0.36927%0.267SS..Hα-helixtrans-69.3-43.1179.4-60.271.6-141.200110.7Y640 T641 S646 A647 V648Y640-E644 HydrophobicContact CD1-CB 3.79Å; Y640-E644 HydrophobicContact CD1-CG 4.08Å; T641-E644 VanDerWaalsContact CA-OE2 3.31Å; T641-E644 WeakPolarHBondContact CA-OE2 3.42Å; T641-E644 WeakPolarHBondContact CB-OE2 3.3Å; T641-E644 PolarHBondContact N-OE2 3.07Å; T641-E644 PolarHBondContact O-N 2.77Å; T641-E644 PolarHBondContact OG1-OE2 2.98Å; E644-S646 PolarHBondContact O-N 2.8Å; E644-A647 PolarHBondContact O-N 2.88Å; E644-V648 PolarHBondContact O-N 3.36Å
645L88.3Confident88Confident8 Ų851 Ų514%0.04228%0.275CS..Hα-helixtrans-67.5-15.7179.9-67.8168000114.4L570 H574 L575 I618 T641 V648 F650 I653L570-L645 HydrophobicContact CD1-CD1 3.66Å; L570-L645 HydrophobicContact CD2-CD1 4.42Å; L570-L645 HydrophobicContact CG-CD1 4.19Å; H574-L645 HydrophobicContact CB-CB 4.13Å; H574-L645 HydrophobicContact CB-CD1 4.22Å; H574-L645 PolarHBondContact ND1-O 3.26Å; L575-L645 HydrophobicContact CD2-CD2 4.49Å; I618-L645 HydrophobicContact CG2-CD1 4.18Å; T641-L645 WeakPolarHBondContact O-CB 3.35Å; T641-L645 WeakPolarHBondContact O-CD1 3.22Å; T641-L645 VanDerWaalsContact O-CG 3.29Å; T641-L645 WeakPolarHBondContact O-CG 3.01Å; T641-L645 PolarHBondContact O-N 3.46Å; T641-L645 VanDerWaalsContact O-N 3.1Å; L645-V648 CarbonylContact C-O 3.3Å; L645-V648 WeakPolarHBondContact CA-O 3.24Å; L645-F650 HydrophobicContact CD2-CB 3.58Å; L645-F650 HydrophobicContact CD2-CD2 3.78Å; L645-F650 HydrophobicContact CD2-CG 4.03Å; L645-I653 HydrophobicContact CD2-CD1 4.42Å
646S87.2Confident87.9Confident91 Ų9151.4 Ų51.464%0.63628%0.278SS*.Hα-helixtrans-82-23.3171.871.70000112.9K642 K643 E644K642-S646 VanDerWaalsContact O-CB 3.24Å; K642-S646 WeakPolarHBondContact O-CB 3.4Å; K642-S646 PolarHBondContact O-N 2.91Å; K642-S646 PolarHBondContact O-OG 2.94Å; K643-S646 PolarHBondContact O-N 3.37Å; K643-S646 PolarHBondContact O-OG 3.09Å; E644-S646 PolarHBondContact O-N 2.8Å
647A85.7Confident87.8Confident70 Ų7048.9 Ų48.958%0.57926%0.257SS*.Hα-helixtrans-90.3-42.5179.300000111.9E644E644-A647 PolarHBondContact O-N 2.88Å
648V85.8Confident87.5Confident31 Ų3152.3 Ų52.319%0.18827%0.271CS..SBendtrans-134137.7179.9-173.40000109.2E644 L645 D652 I653 L712E644-V648 PolarHBondContact O-N 3.36Å; L645-V648 CarbonylContact C-O 3.3Å; L645-V648 WeakPolarHBondContact CA-O 3.24Å; V648-D652 HydrophobicContact CG1-CB 3.87Å; V648-I653 HydrophobicContact CB-CD1 4.42Å; V648-I653 HydrophobicContact CB-CG1 4.07Å; V648-I653 HydrophobicContact CG1-CG1 3.8Å; V648-L712 HydrophobicContact CG2-CB 3.97Å; V648-L712 HydrophobicContact CG2-CD1 4.41Å
649T88.1Confident87Confident58 Ų5844.9 Ų44.936%0.35624%0.237SC..  trans-67.6147.2178.480.70000110.6D652 I653T649-D652 PolarHBondContact O-N 3.16Å; T649-D652 VanDerWaalsContact O-N 3.1Å; T649-D652 WeakPolarHBondContact OG1-CB 3.32Å; T649-D652 PolarHBondContact OG1-N 3.1Å; T649-D652 PolarHBondContact OG1-OD2 3.03Å; T649-I653 WeakPolarHBondContact O-CG1 3.4Å; T649-I653 PolarHBondContact O-N 3.33Å
650F90.6Very high86Confident2 Ų246.2 Ų46.21%0.00924%0.24CC..Hα-helixtrans-59.1-41179.6-164.2-121.1000114L575 L578 L607 I618 F620 Y640 L645 D652 I653 I654L575-F650 HydrophobicContact CD2-CB 3.61Å; L575-F650 HydrophobicContact CD2-CD1 3.86Å; L575-F650 HydrophobicContact CD2-CG 3.85Å; L578-F650 HydrophobicContact CD2-CD1 3.76Å; L607-F650 HydrophobicContact CD1-CE1 3.88Å; L607-F650 HydrophobicContact CD2-CE1 3.86Å; L607-F650 HydrophobicContact CD2-CZ 3.97Å; L607-F650 HydrophobicContact CG-CE1 4.4Å; I618-F650 HydrophobicContact CB-CZ 4.4Å; I618-F650 HydrophobicContact CD1-CD1 4.14Å; I618-F650 HydrophobicContact CD1-CE1 3.5Å; I618-F650 HydrophobicContact CD1-CZ 3.79Å; I618-F650 HydrophobicContact CG1-CE1 4.03Å; I618-F650 HydrophobicContact CG1-CE2 4.39Å; I618-F650 HydrophobicContact CG1-CZ 3.75Å; I618-F650 HydrophobicContact CG2-CD2 3.86Å; I618-F650 HydrophobicContact CG2-CE1 4.32Å; I618-F650 HydrophobicContact CG2-CE2 3.56Å; I618-F650 HydrophobicContact CG2-CG 4.38Å; I618-F650 HydrophobicContact CG2-CZ 3.81Å; F620-F650 HydrophobicContact CD1-CE2 4.15Å; F620-F650 AromaticContact CD1-CZ 3.98Å; F620-F650 HydrophobicContact CD1-CZ 3.98Å; F620-F650 HydrophobicContact CE1-CE2 4.44Å; Y640-F650 HydrophobicContact CD2-CE2 4.06Å; L645-F650 HydrophobicContact CD2-CB 3.58Å; L645-F650 HydrophobicContact CD2-CD2 3.78Å; L645-F650 HydrophobicContact CD2-CG 4.03Å; F650-D652 VanDerWaalsContact C-N 3.31Å; F650-D652 PolarHBondContact O-N 3.29Å; F650-I653 HydrophobicContact CD2-CD1 4.45Å; F650-I653 WeakPolarHBondContact O-CB 3.44Å; F650-I653 PolarHBondContact O-N 2.81Å; F650-I654 HydrophobicContact CD1-CD1 3.79Å; F650-I654 HydrophobicContact CE1-CD1 3.6Å; F650-I654 HydrophobicContact CE1-CG1 4.3Å; F650-I654 HydrophobicContact CZ-CD1 4.15Å; F650-I654 HydrophobicContact CZ-CG1 4.41Å; F650-I654 WeakPolarHBondContact O-CG1 3.11Å; F650-I654 PolarHBondContact O-N 3.17Å
651P90.8Very high84.6Confident7 Ų746.8 Ų46.85%0.04525%0.249CC..Hα-helixtrans-57.2-40.6171.8-26.535.4000113.7L578 I654 R655 Y686 Y687L578-P651 HydrophobicContact CD1-CG 3.84Å; L578-P651 HydrophobicContact CD2-CG 4.08Å; L578-P651 HydrophobicContact CG-CG 4.38Å; P651-I654 PolarHBondContact O-N 3.34Å; P651-R655 WeakPolarHBondContact O-CB 3.35Å; P651-R655 PolarHBondContact O-N 2.91Å; P651-Y686 HydrophobicContact CG-CG 4.38Å; P651-Y687 HydrophobicContact CB-CD1 3.97Å; P651-Y687 HydrophobicContact CB-CE1 4.24Å; P651-Y687 WeakPolarHBondContact O-CE1 3.19Å
652D86.8Confident83Confident17 Ų1750.6 Ų50.69%0.09128%0.283CS..Hα-helixtrans-70.7-34.3179.1-63.5-36.9000111.6V648 T649 F650 R655 N656 S688V648-D652 HydrophobicContact CG1-CB 3.87Å; T649-D652 PolarHBondContact O-N 3.16Å; T649-D652 VanDerWaalsContact O-N 3.1Å; T649-D652 WeakPolarHBondContact OG1-CB 3.32Å; T649-D652 PolarHBondContact OG1-N 3.1Å; T649-D652 PolarHBondContact OG1-OD2 3.03Å; F650-D652 VanDerWaalsContact C-N 3.31Å; F650-D652 PolarHBondContact O-N 3.29Å; D652-R655 PolarHBondContact O-N 3.26Å; D652-N656 WeakPolarHBondContact O-CB 3.39Å; D652-N656 PolarHBondContact O-N 2.99Å; D652-S688 PolarHBondContact OD1-N 2.75Å; D652-S688 WeakPolarHBondContact OD2-CB 3.45Å; D652-S688 PolarHBondContact OD2-OG 3.32Å
653I88.2Confident81.4Confident6 Ų651.7 Ų51.73%0.03129%0.289CS..Hα-helixtrans-58.7-52.2169.5-64.9170.7000108.9F620 Y640 L645 V648 T649 F650 R655 N656 Y657F620-I653 HydrophobicContact CE1-CG2 4.28Å; Y640-I653 HydrophobicContact CD1-CD1 4.03Å; Y640-I653 HydrophobicContact CE1-CD1 4.12Å; Y640-I653 HydrophobicContact CE1-CG2 4.2Å; Y640-I653 HydrophobicContact CE2-CG2 3.96Å; Y640-I653 HydrophobicContact CG-CD1 4.42Å; L645-I653 HydrophobicContact CD2-CD1 4.42Å; V648-I653 HydrophobicContact CB-CD1 4.42Å; V648-I653 HydrophobicContact CB-CG1 4.07Å; V648-I653 HydrophobicContact CG1-CG1 3.8Å; T649-I653 WeakPolarHBondContact O-CG1 3.4Å; T649-I653 PolarHBondContact O-N 3.33Å; F650-I653 HydrophobicContact CD2-CD1 4.45Å; F650-I653 WeakPolarHBondContact O-CB 3.44Å; F650-I653 PolarHBondContact O-N 2.81Å; I653-R655 VanDerWaalsContact C-N 3.27Å; I653-R655 PolarHBondContact O-N 3.28Å; I653-N656 PolarHBondContact O-N 3.29Å; I653-Y657 WeakPolarHBondContact O-CA 3.34Å; I653-Y657 WeakPolarHBondContact O-CB 3.39Å; I653-Y657 PolarHBondContact O-N 3.4Å
654I88.5Confident80.1Confident0 Ų050.8 Ų50.80%029%0.291CS..Hα-helixtrans-58.4-39.9178.8-68.1168.9000111.6F605 L607 F650 P651 N668 L670 K679 F683F605-I654 HydrophobicContact CE2-CG2 4.32Å; F605-I654 HydrophobicContact CZ-CG2 3.97Å; L607-I654 HydrophobicContact CD1-CD1 4.27Å; L607-I654 HydrophobicContact CD2-CD1 4.16Å; F650-I654 HydrophobicContact CD1-CD1 3.79Å; F650-I654 HydrophobicContact CE1-CD1 3.6Å; F650-I654 HydrophobicContact CE1-CG1 4.3Å; F650-I654 HydrophobicContact CZ-CD1 4.15Å; F650-I654 HydrophobicContact CZ-CG1 4.41Å; F650-I654 WeakPolarHBondContact O-CG1 3.11Å; F650-I654 PolarHBondContact O-N 3.17Å; P651-I654 PolarHBondContact O-N 3.34Å; I654-N668 PolarHBondContact O-ND2 2.81Å; I654-L670 HydrophobicContact CG2-CD1 4.13Å; I654-K679 HydrophobicContact CG2-CD 3.84Å; I654-K679 HydrophobicContact CG2-CG 3.82Å; I654-F683 HydrophobicContact CD1-CD1 4.23Å; I654-F683 HydrophobicContact CD1-CD2 4.48Å; I654-F683 HydrophobicContact CD1-CE1 3.9Å; I654-F683 HydrophobicContact CD1-CE2 4.19Å; I654-F683 HydrophobicContact CD1-CZ 3.89Å; I654-F683 HydrophobicContact CG2-CD2 4.06Å; I654-F683 HydrophobicContact CG2-CE2 4.29Å
655R86.6Confident79.1Confident106 Ų10651 Ų5140%0.429%0.294SS..Hα-helixtrans-64.7-49.9179.8-171.1-176.2180-175.5-1.7112P651 D652 I653 N668 Y687P651-R655 WeakPolarHBondContact O-CB 3.35Å; P651-R655 PolarHBondContact O-N 2.91Å; D652-R655 PolarHBondContact O-N 3.26Å; I653-R655 VanDerWaalsContact C-N 3.27Å; I653-R655 PolarHBondContact O-N 3.28Å; R655-N668 PolarHBondContact O-ND2 2.73Å; R655-Y687 HydrophobicContact CB-CD1 4.06Å; R655-Y687 HydrophobicContact CB-CE1 3.68Å; R655-Y687 HydrophobicContact CG-CD1 4.37Å; R655-Y687 HydrophobicContact CG-CD2 4.43Å; R655-Y687 HydrophobicContact CG-CE1 4.12Å; R655-Y687 HydrophobicContact CG-CE2 4.17Å
656N84.7Confident78.2Confident51 Ų5153.8 Ų53.827%0.27331%0.312SS..Hα-helixtrans-99-2.8-167.7-63.2-18.2000113.6D652 I653 K658 I713D652-N656 WeakPolarHBondContact O-CB 3.39Å; D652-N656 PolarHBondContact O-N 2.99Å; I653-N656 PolarHBondContact O-N 3.29Å; N656-K658 PolarHBondContact O-N 3.17Å; N656-I713 HydrophobicContact CB-CG2 4.49Å; N656-I713 VanDerWaalsContact O-CG2 3.25Å; N656-I713 WeakPolarHBondContact O-CG2 3.44Å
657Y84.3Confident77.7Confident2 Ų254.2 Ų54.21%0.00830%0.304CS..  trans-55.2133.1179.2-173.3-114.3000111.2F620 W622 V637 I653 V659 N668 P669 L670 S716F620-Y657 AromaticContact CE2-CD1 3.88Å; F620-Y657 HydrophobicContact CE2-CD1 3.88Å; F620-Y657 AromaticContact CE2-CE1 3.73Å; F620-Y657 HydrophobicContact CE2-CE1 3.73Å; F620-Y657 HydrophobicContact CE2-CE2 4.47Å; F620-Y657 HydrophobicContact CE2-CG 4.32Å; F620-Y657 AromaticContact CZ-CD1 3.92Å; F620-Y657 HydrophobicContact CZ-CD1 3.92Å; F620-Y657 AromaticContact CZ-CD2 3.91Å; F620-Y657 HydrophobicContact CZ-CD2 3.91Å; F620-Y657 HydrophobicContact CZ-CE1 4.01Å; F620-Y657 HydrophobicContact CZ-CE2 4.03Å; F620-Y657 AromaticContact CZ-CG 3.87Å; F620-Y657 HydrophobicContact CZ-CG 3.87Å; W622-Y657 HydrophobicContact CH2-CE1 4.03Å; W622-Y657 HydrophobicContact CZ2-CE1 4.48Å; W622-Y657 HydrophobicContact CZ3-CE1 4.34Å; V637-Y657 HydrophobicContact CG1-CE1 4.21Å; V637-Y657 HydrophobicContact CG1-CE2 3.88Å; V637-Y657 VanDerWaalsContact CG1-CZ 3.48Å; V637-Y657 WeakPolarHBondContact CG1-OH 3.46Å; I653-Y657 WeakPolarHBondContact O-CA 3.34Å; I653-Y657 WeakPolarHBondContact O-CB 3.39Å; I653-Y657 PolarHBondContact O-N 3.4Å; Y657-V659 HydrophobicContact CD1-CG2 4.05Å; Y657-V659 HydrophobicContact CE1-CG2 3.19Å; Y657-V659 VanDerWaalsContact CZ-CG2 3.46Å; Y657-V659 WeakPolarHBondContact OH-CG2 3.45Å; Y657-N668 WeakPolarHBondContact O-CA 3.31Å; Y657-N668 WeakPolarHBondContact O-CB 3.33Å; Y657-N668 PolarHBondContact O-ND2 3.26Å; Y657-N668 PolarHBondContact O-OD1 2.88Å; Y657-P669 HydrophobicContact CD1-CG 4.13Å; Y657-P669 HydrophobicContact CE1-CG 3.98Å; Y657-L670 HydrophobicContact CD1-CD1 4.09Å; Y657-L670 HydrophobicContact CD1-CG 4.23Å; Y657-S716 WeakPolarHBondContact OH-CB 3.34Å; Y657-S716 PolarHBondContact OH-OG 3.33Å
658K80.7Confident77.3Confident85 Ų8552.3 Ų52.337%0.3728%0.284SS..EExtended strand (participates in β ladder)trans-133.7140.8177-67.9-177.8-178.3-170.70110.1N656 P666 E667 S714 V715 S716N656-K658 PolarHBondContact O-N 3.17Å; K658-P666 HydrophobicContact CB-CB 4.41Å; K658-P666 HydrophobicContact CD-CB 4.24Å; K658-E667 WeakPolarHBondContact CA-O 3.35Å; K658-S714 PolarHBondContact N-O 3.14Å; K658-V715 HydrophobicContact CB-CG2 4.42Å; K658-V715 VanDerWaalsContact O-CA 3.32Å; K658-V715 WeakPolarHBondContact O-CA 3.33Å; K658-S716 PolarHBondContact O-N 3.24Å
659V76.3Confident77.2Confident15 Ų1551.5 Ų51.59%0.09128%0.28CS..EExtended strand (participates in β ladder)trans-124.5145.5172.8-170.60000107.6W622 Y657 A661 E667 P669 V718W622-V659 HydrophobicContact CH2-CG2 4.35Å; W622-V659 HydrophobicContact CZ2-CG2 4.1Å; Y657-V659 HydrophobicContact CD1-CG2 4.05Å; Y657-V659 HydrophobicContact CE1-CG2 3.19Å; Y657-V659 VanDerWaalsContact CZ-CG2 3.46Å; Y657-V659 WeakPolarHBondContact OH-CG2 3.45Å; V659-A661 PolarHBondContact O-N 3.23Å; V659-A661 VanDerWaalsContact O-N 3.1Å; V659-E667 PolarHBondContact N-O 3Å; V659-E667 PolarHBondContact O-N 3.43Å; V659-E667 VanDerWaalsContact O-N 3.13Å; V659-P669 HydrophobicContact CB-CG 4.41Å; V659-P669 HydrophobicContact CG2-CG 3.77Å; V659-V718 HydrophobicContact CG1-CG2 4.04Å
660M67.8Low77.1Confident72 Ų7248.9 Ų48.936%0.35526%0.263SS..EExtended strand (participates in β ladder)trans-69.2106.3170.6-61.4-64-93.200107.8P666 V718M660-P666 HydrophobicContact SD-CB 4.19Å; M660-V718 WeakPolarHBondContact O-CG2 3.37Å
661A61.4Low76.8Confident33 Ų3354.2 Ų54.227%0.27329%0.287SS..  trans-65.7167.4175.800000110.5V659 E663 N664 I665V659-A661 PolarHBondContact O-N 3.23Å; V659-A661 VanDerWaalsContact O-N 3.1Å; A661-E663 PolarHBondContact O-N 2.9Å; A661-N664 PolarHBondContact O-N 3.49Å; A661-I665 WeakPolarHBondContact CB-O 3.48Å; A661-I665 PolarHBondContact N-O 3.11Å; A661-I665 VanDerWaalsContact N-O 3.16Å
662A57.6Low76.8Confident101 Ų10157 Ų5784%0.83530%0.297SS*.THydrogen-bonded Turntrans-54.3-17.3176.200000113.8
663E55.1Low76.9Confident119 Ų11956.6 Ų56.656%0.55629%0.294SS*.THydrogen-bonded Turntrans-96.510179.3-58.1-179.1-178.300113.7Q627 A661 I665Q627-E663 PolarHBondContact NE2-OE1 2.84Å; A661-E663 PolarHBondContact O-N 2.9Å; E663-I665 HydrophobicContact CB-CD1 4.38Å; E663-I665 PolarHBondContact O-N 2.75Å; E663-I665 VanDerWaalsContact O-N 3.16Å
664N61.4Low76.8Confident113 Ų11359.2 Ų59.260%0.60430%0.304SS*.SBendtrans58.518.1-175-74.2-38.9000115.2A661A661-N664 PolarHBondContact O-N 3.49Å
665I65.6Low76.5Confident85 Ų8562.6 Ų62.644%0.43633%0.326SS..  trans-97.5128.6173.7-59.3168.3000108.2A661 E663 E667A661-I665 WeakPolarHBondContact CB-O 3.48Å; A661-I665 PolarHBondContact N-O 3.11Å; A661-I665 VanDerWaalsContact N-O 3.16Å; E663-I665 HydrophobicContact CB-CD1 4.38Å; E663-I665 PolarHBondContact O-N 2.75Å; E663-I665 VanDerWaalsContact O-N 3.16Å; I665-E667 HydrophobicContact CB-CG 4.49Å; I665-E667 HydrophobicContact CG2-CG 3.95Å; I665-E667 PolarHBondContact O-N 3.44Å; I665-E667 VanDerWaalsContact O-N 3.1Å
666P69.5Low76.4Confident65 Ų6561.7 Ų61.742%0.42233%0.329SS..EExtended strand (participates in β ladder)trans-76.599.4179.530.4-33.9000110.2K658 M660K658-P666 HydrophobicContact CB-CB 4.41Å; K658-P666 HydrophobicContact CD-CB 4.24Å; M660-P666 HydrophobicContact SD-CB 4.19Å
667E75.5Confident76.4Confident100 Ų10062.3 Ų62.347%0.46733%0.332SS..EExtended strand (participates in β ladder)trans-111.1153.8179.1-62.6-163.2166.300111.5K658 V659 I665 P669K658-E667 WeakPolarHBondContact CA-O 3.35Å; V659-E667 PolarHBondContact N-O 3Å; V659-E667 PolarHBondContact O-N 3.43Å; V659-E667 VanDerWaalsContact O-N 3.13Å; I665-E667 HydrophobicContact CB-CG 4.49Å; I665-E667 HydrophobicContact CG2-CG 3.95Å; I665-E667 PolarHBondContact O-N 3.44Å; I665-E667 VanDerWaalsContact O-N 3.1Å; E667-P669 VanDerWaalsContact O-CD 3.3Å; E667-P669 WeakPolarHBondContact O-CD 3.28Å
668N78.4Confident76.6Confident31 Ų3166.7 Ų66.717%0.16636%0.356CS..  trans-86.6111.8170.5-172-19.4000108.3I654 R655 Y657 L670 K679I654-N668 PolarHBondContact O-ND2 2.81Å; R655-N668 PolarHBondContact O-ND2 2.73Å; Y657-N668 WeakPolarHBondContact O-CA 3.31Å; Y657-N668 WeakPolarHBondContact O-CB 3.33Å; Y657-N668 PolarHBondContact O-ND2 3.26Å; Y657-N668 PolarHBondContact O-OD1 2.88Å; N668-L670 PolarHBondContact O-N 3.19Å; N668-L670 WeakPolarHBondContact OD1-CB 3.4Å; N668-L670 WeakPolarHBondContact OD1-CG 3.31Å; N668-L670 PolarHBondContact OD1-N 3.49Å; N668-K679 PolarHBondContact ND2-NZ 2.83Å
669P82.4Confident77Confident14 Ų1463.9 Ų63.99%0.09134%0.344CS..  trans-71.9-14.8-179.831.2-36.7000112.8G603 W622 E624 Y657 V659 E667 K671G603-P669 WeakPolarHBondContact CA-O 3.39Å; W622-P669 HydrophobicContact CD2-CG 4.29Å; W622-P669 HydrophobicContact CG-CB 4.43Å; W622-P669 HydrophobicContact CZ2-CB 4.43Å; W622-P669 HydrophobicContact CZ2-CG 3.86Å; W622-P669 VanDerWaalsContact NE1-CB 3.34Å; E624-P669 WeakPolarHBondContact OE1-CB 3.49Å; Y657-P669 HydrophobicContact CD1-CG 4.13Å; Y657-P669 HydrophobicContact CE1-CG 3.98Å; V659-P669 HydrophobicContact CB-CG 4.41Å; V659-P669 HydrophobicContact CG2-CG 3.77Å; E667-P669 VanDerWaalsContact O-CD 3.3Å; E667-P669 WeakPolarHBondContact O-CD 3.28Å; P669-K671 PolarHBondContact O-N 2.92Å
670L86Confident77.5Confident2 Ų267.8 Ų67.81%0.0136%0.364CS..  trans-82.2108.3-177-49.5178.1000110.3F605 F620 W622 I654 Y657 N668 K679F605-L670 HydrophobicContact CB-CD2 3.77Å; F605-L670 HydrophobicContact CD1-CB 3.8Å; F605-L670 HydrophobicContact CD1-CD2 3.96Å; F605-L670 HydrophobicContact CD1-CG 4.42Å; F605-L670 HydrophobicContact CD2-CD2 4.27Å; F605-L670 HydrophobicContact CE1-CB 3.79Å; F605-L670 HydrophobicContact CG-CB 4.41Å; F605-L670 HydrophobicContact CG-CD2 3.76Å; F605-L670 HydrophobicContact CZ-CB 4.37Å; F620-L670 HydrophobicContact CD2-CD1 4.07Å; F620-L670 HydrophobicContact CD2-CD2 3.83Å; F620-L670 HydrophobicContact CE2-CD1 3.77Å; F620-L670 HydrophobicContact CE2-CD2 3.99Å; F620-L670 HydrophobicContact CE2-CG 4.35Å; F620-L670 HydrophobicContact CZ-CD1 4.02Å; W622-L670 HydrophobicContact CB-CD2 4.11Å; W622-L670 HydrophobicContact CD2-CD2 4.31Å; W622-L670 HydrophobicContact CE3-CD2 4.3Å; W622-L670 HydrophobicContact CG-CD2 4.28Å; I654-L670 HydrophobicContact CG2-CD1 4.13Å; Y657-L670 HydrophobicContact CD1-CD1 4.09Å; Y657-L670 HydrophobicContact CD1-CG 4.23Å; N668-L670 PolarHBondContact O-N 3.19Å; N668-L670 WeakPolarHBondContact OD1-CB 3.4Å; N668-L670 WeakPolarHBondContact OD1-CG 3.31Å; N668-L670 PolarHBondContact OD1-N 3.49Å; L670-K679 HydrophobicContact CB-CD 4.33Å; L670-K679 WeakPolarHBondContact O-CD 3.08Å
671K85.8Confident78.4Confident114 Ų11471.5 Ų71.550%0.49638%0.38SS..  trans-114.2-50.6-179.7-64.8-173.8178.8178.60112.3G603 P669 K679G603-K671 PolarHBondContact O-N 3.42Å; P669-K671 PolarHBondContact O-N 2.92Å; K671-K679 VanDerWaalsContact O-CB 3.31Å; K671-K679 WeakPolarHBondContact O-CB 3.42Å; K671-K679 PolarHBondContact O-N 3.35Å
672Y89.3Confident79.4Confident67 Ų6770.4 Ų70.426%0.26337%0.371SS..EExtended strand (participates in β ladder)trans-124.8131-174-51-77000111.5G603 T604 F605 I677 D678G603-Y672 PolarHBondContact O-N 3.31Å; G603-Y672 VanDerWaalsContact O-N 3.08Å; T604-Y672 CarbonylContact C-O 3.55Å; T604-Y672 WeakPolarHBondContact CA-O 3.47Å; F605-Y672 WeakPolarHBondContact CD1-O 3.3Å; F605-Y672 WeakPolarHBondContact CE1-O 3.22Å; F605-Y672 PolarHBondContact N-O 3.14Å; Y672-I677 CarbonylContact C-O 3.6Å; Y672-I677 VanDerWaalsContact CA-O 3.29Å; Y672-I677 WeakPolarHBondContact CA-O 3.29Å; Y672-D678 WeakPolarHBondContact CD1-OD1 3.44Å; Y672-D678 WeakPolarHBondContact CE1-OD1 3.42Å
673L90.4Very high80.9Confident7 Ų765.6 Ų65.64%0.03733%0.331CS..EExtended strand (participates in β ladder)trans-79.7134.1166.7-177.168.3000109.2C583 F605 L607 N676 I677 A682 F683C583-L673 HydrophobicContact CB-CD2 4.09Å; F605-L673 HydrophobicContact CD2-CD1 4.18Å; F605-L673 HydrophobicContact CE1-CB 4.48Å; F605-L673 HydrophobicContact CE2-CD1 3.8Å; F605-L673 HydrophobicContact CZ-CB 4.27Å; F605-L673 HydrophobicContact CZ-CD1 4.22Å; L607-L673 HydrophobicContact CG-CD1 4.26Å; L673-N676 PolarHBondContact O-N 3.48Å; L673-I677 HydrophobicContact CB-CB 4.4Å; L673-I677 PolarHBondContact N-O 3.27Å; L673-I677 PolarHBondContact O-N 2.91Å; L673-A682 HydrophobicContact CB-CB 4.36Å; L673-A682 HydrophobicContact CD2-CB 3.78Å; L673-F683 HydrophobicContact CB-CE2 4.34Å; L673-F683 HydrophobicContact CD1-CE2 4.21Å; L673-F683 HydrophobicContact CD1-CZ 4.06Å; L673-F683 HydrophobicContact CD2-CE2 3.98Å; L673-F683 HydrophobicContact CD2-CZ 3.84Å; L673-F683 HydrophobicContact CG-CE2 4.41Å; L673-F683 HydrophobicContact CG-CZ 4.47Å
674Y84.8Confident82.3Confident61 Ų6161.4 Ų61.424%0.23932%0.32CS..THydrogen-bonded Turntrans-54.1135.7174.3-178.4-88.6000111.6M585 L596 Q600 F605M585-Y674 HydrophobicContact CE-CD1 3.6Å; M585-Y674 HydrophobicContact CE-CE1 3.61Å; L596-Y674 HydrophobicContact CB-CE2 4.27Å; Q600-Y674 HydrophobicContact CG-CD2 4.48Å; F605-Y674 PolarHBondContact O-N 3.38Å
675P82Confident83.4Confident71 Ų7162.3 Ų62.346%0.46132%0.319SS..THydrogen-bonded Turncis-76.8-386.5-20.934.8000116.7
676N84.9Confident84.4Confident87 Ų8760.3 Ų60.347%0.46531%0.306SS..THydrogen-bonded Turntrans-171.659.4176.4-84.2-43.6000109.6L673L673-N676 PolarHBondContact O-N 3.48Å
677I86.1Confident85.2Confident65 Ų6558.6 Ų58.633%0.33329%0.291SS..EExtended strand (participates in β ladder)trans-108.2128.8-178.9-55.5172.5000108Y672 L673 K679 H681 A682Y672-I677 CarbonylContact C-O 3.6Å; Y672-I677 VanDerWaalsContact CA-O 3.29Å; Y672-I677 WeakPolarHBondContact CA-O 3.29Å; L673-I677 HydrophobicContact CB-CB 4.4Å; L673-I677 PolarHBondContact N-O 3.27Å; L673-I677 PolarHBondContact O-N 2.91Å; I677-K679 PolarHBondContact O-N 3.01Å; I677-H681 HydrophobicContact CG2-CB 4.29Å; I677-A682 HydrophobicContact CG2-CB 3.9Å
678D88.4Confident85.4Confident93 Ų9356.8 Ų56.850%0.49729%0.289SS..EExtended strand (participates in β ladder)trans-55.2136.5175.8-69.6-51.6000111.3Y672 D680 H681 A682Y672-D678 WeakPolarHBondContact CD1-OD1 3.44Å; Y672-D678 WeakPolarHBondContact CE1-OD1 3.42Å; D678-D680 VanDerWaalsContact C-N 3.28Å; D678-D680 PolarHBondContact O-N 3.27Å; D678-H681 HydrophobicContact CB-CB 3.89Å; D678-H681 WeakPolarHBondContact O-CA 3.22Å; D678-H681 WeakPolarHBondContact O-CB 2.99Å; D678-H681 PolarHBondContact O-N 3.16Å; D678-A682 PolarHBondContact O-N 2.75Å
679K88.9Confident84.9Confident27 Ų2766.1 Ų66.112%0.11732%0.322CS..Hα-helixtrans-50.8-48.6180178.6-169.666.7-173.10112F605 I654 N668 L670 K671 I677 H681 A682 F683 Y687F605-K679 HydrophobicContact CE1-CB 4.38Å; F605-K679 HydrophobicContact CE1-CG 4.44Å; F605-K679 HydrophobicContact CZ-CG 4.35Å; I654-K679 HydrophobicContact CG2-CD 3.84Å; I654-K679 HydrophobicContact CG2-CG 3.82Å; N668-K679 PolarHBondContact ND2-NZ 2.83Å; L670-K679 HydrophobicContact CB-CD 4.33Å; L670-K679 WeakPolarHBondContact O-CD 3.08Å; K671-K679 VanDerWaalsContact O-CB 3.31Å; K671-K679 WeakPolarHBondContact O-CB 3.42Å; K671-K679 PolarHBondContact O-N 3.35Å; I677-K679 PolarHBondContact O-N 3.01Å; K679-H681 VanDerWaalsContact C-N 3.29Å; K679-H681 PolarHBondContact O-N 2.9Å; K679-A682 PolarHBondContact O-N 3Å; K679-F683 HydrophobicContact CG-CD2 4.22Å; K679-F683 WeakPolarHBondContact O-CD2 3.44Å; K679-F683 PolarHBondContact O-N 2.97Å; K679-Y687 PolarHBondContact O-OH 3.18Å
680D87Confident83.5Confident96 Ų9669.8 Ų69.851%0.51335%0.346SS..Hα-helixtrans-72.2-25.8-178-59.6-42.5000111.8D678 G684 Y687D678-D680 VanDerWaalsContact C-N 3.28Å; D678-D680 PolarHBondContact O-N 3.27Å; D680-G684 WeakPolarHBondContact O-CA 2.99Å; D680-G684 PolarHBondContact O-N 3.2Å; D680-Y687 HydrophobicContact CB-CE2 4.38Å; D680-Y687 VanDerWaalsContact OD1-CE2 3.31Å; D680-Y687 WeakPolarHBondContact OD1-CE2 3.39Å; D680-Y687 PolarHBondContact OD1-OH 2.99Å; D680-Y687 VanDerWaalsContact OD1-OH 3.07Å
681H84.9Confident81.3Confident151 Ų15179.5 Ų79.570%0.69939%0.389SS*.Hα-helixtrans-70.7-41.4172.2-172.181.9000111.6I677 D678 K679I677-H681 HydrophobicContact CG2-CB 4.29Å; D678-H681 HydrophobicContact CB-CB 3.89Å; D678-H681 WeakPolarHBondContact O-CA 3.22Å; D678-H681 WeakPolarHBondContact O-CB 2.99Å; D678-H681 PolarHBondContact O-N 3.16Å; K679-H681 VanDerWaalsContact C-N 3.29Å; K679-H681 PolarHBondContact O-N 2.9Å
682A83.8Confident78.7Confident9 Ų983 Ų837%0.07441%0.407CS..Hα-helixtrans-73.5-45.4179.700000112.9L673 I677 D678 K679L673-A682 HydrophobicContact CB-CB 4.36Å; L673-A682 HydrophobicContact CD2-CB 3.78Å; I677-A682 HydrophobicContact CG2-CB 3.9Å; D678-A682 PolarHBondContact O-N 2.75Å; K679-A682 PolarHBondContact O-N 3Å
683F89.2Confident76.1Confident0 Ų083.6 Ų83.60%043%0.425CS..Hα-helixtrans-107.5-8-170.5-59.3-75.1000114.4L578 C583 F605 L607 I654 L673 K679 K685 Y686 Y687L578-F683 HydrophobicContact CD2-CD1 4.16Å; L578-F683 HydrophobicContact CD2-CE1 3.95Å; L578-F683 HydrophobicContact CG-CD1 4.48Å; L578-F683 HydrophobicContact CG-CE1 4.42Å; C583-F683 HydrophobicContact CB-CE1 4.01Å; C583-F683 HydrophobicContact CB-CZ 4.29Å; F605-F683 AromaticContact CE2-CE2 3.99Å; F605-F683 HydrophobicContact CE2-CE2 3.99Å; F605-F683 HydrophobicContact CE2-CZ 4.39Å; F605-F683 HydrophobicContact CZ-CD2 4.43Å; F605-F683 AromaticContact CZ-CE2 3.69Å; F605-F683 HydrophobicContact CZ-CE2 3.69Å; L607-F683 HydrophobicContact CD1-CE1 3.98Å; L607-F683 HydrophobicContact CD1-CZ 3.68Å; I654-F683 HydrophobicContact CD1-CD1 4.23Å; I654-F683 HydrophobicContact CD1-CD2 4.48Å; I654-F683 HydrophobicContact CD1-CE1 3.9Å; I654-F683 HydrophobicContact CD1-CE2 4.19Å; I654-F683 HydrophobicContact CD1-CZ 3.89Å; I654-F683 HydrophobicContact CG2-CD2 4.06Å; I654-F683 HydrophobicContact CG2-CE2 4.29Å; L673-F683 HydrophobicContact CB-CE2 4.34Å; L673-F683 HydrophobicContact CD1-CE2 4.21Å; L673-F683 HydrophobicContact CD1-CZ 4.06Å; L673-F683 HydrophobicContact CD2-CE2 3.98Å; L673-F683 HydrophobicContact CD2-CZ 3.84Å; L673-F683 HydrophobicContact CG-CE2 4.41Å; L673-F683 HydrophobicContact CG-CZ 4.47Å; K679-F683 HydrophobicContact CG-CD2 4.22Å; K679-F683 WeakPolarHBondContact O-CD2 3.44Å; K679-F683 PolarHBondContact O-N 2.97Å; F683-K685 PolarHBondContact O-N 3.2Å; F683-K685 VanDerWaalsContact O-N 3.15Å; F683-Y686 HydrophobicContact CD1-CD2 4.41Å; F683-Y686 PolarHBondContact O-N 2.81Å; F683-Y687 HydrophobicContact CB-CD1 4.46Å; F683-Y687 HydrophobicContact CB-CE1 3.58Å; F683-Y687 PolarHBondContact O-N 3.36Å
684G84.3Confident73.5Confident32 Ų3289 Ų8933%0.3346%0.461SS..G310 helixtrans-54.3-37.5-17400000114.7D680 Y686 Y687D680-G684 WeakPolarHBondContact O-CA 2.99Å; D680-G684 PolarHBondContact O-N 3.2Å; G684-Y686 PolarHBondContact O-N 3.19Å; G684-Y687 PolarHBondContact O-N 2.91Å
685K83.9Confident71.1Confident132 Ų13294.9 Ų94.957%0.57449%0.49SS*.G310 helixtrans-64.1-18.9176.155.1177161.3178.40114.5D581 F683D581-K685 IonicContact OD2-NZ 3.34Å; D581-K685 PolarHBondContact OD2-NZ 3.05Å; F683-K685 PolarHBondContact O-N 3.2Å; F683-K685 VanDerWaalsContact O-N 3.15Å
686Y86.6Confident69Low43 Ų4397.1 Ų97.117%0.16951%0.505CS..G310 helixtrans-109.4-0-178.6-43.9-64.8000113.8C577 L578 D581 P651 F683 G684 S688C577-Y686 HydrophobicContact CB-CD1 4.02Å; C577-Y686 HydrophobicContact CB-CE1 3.51Å; C577-Y686 PolarHBondContact O-OH 3.11Å; L578-Y686 HydrophobicContact CD1-CD2 4.21Å; L578-Y686 HydrophobicContact CD1-CE2 4.42Å; L578-Y686 HydrophobicContact CD1-CG 4.31Å; L578-Y686 HydrophobicContact CG-CD2 4.24Å; L578-Y686 HydrophobicContact CG-CE2 4.22Å; D581-Y686 VanDerWaalsContact CB-OH 3.3Å; D581-Y686 WeakPolarHBondContact CB-OH 3.39Å; D581-Y686 PolarHBondContact OD2-OH 2.92Å; P651-Y686 HydrophobicContact CG-CG 4.38Å; F683-Y686 HydrophobicContact CD1-CD2 4.41Å; F683-Y686 PolarHBondContact O-N 2.81Å; G684-Y686 PolarHBondContact O-N 3.19Å; Y686-S688 PolarHBondContact O-N 2.76Å
687Y86.3Confident66.8Low28 Ų28101.8 Ų101.811%0.1153%0.526CS..SBendtrans-65.4133.7176.7-66-25.9000110.4P651 R655 K679 D680 F683 G684 R689P651-Y687 HydrophobicContact CB-CD1 3.97Å; P651-Y687 HydrophobicContact CB-CE1 4.24Å; P651-Y687 WeakPolarHBondContact O-CE1 3.19Å; R655-Y687 HydrophobicContact CB-CD1 4.06Å; R655-Y687 HydrophobicContact CB-CE1 3.68Å; R655-Y687 HydrophobicContact CG-CD1 4.37Å; R655-Y687 HydrophobicContact CG-CD2 4.43Å; R655-Y687 HydrophobicContact CG-CE1 4.12Å; R655-Y687 HydrophobicContact CG-CE2 4.17Å; K679-Y687 PolarHBondContact O-OH 3.18Å; D680-Y687 HydrophobicContact CB-CE2 4.38Å; D680-Y687 VanDerWaalsContact OD1-CE2 3.31Å; D680-Y687 WeakPolarHBondContact OD1-CE2 3.39Å; D680-Y687 PolarHBondContact OD1-OH 2.99Å; D680-Y687 VanDerWaalsContact OD1-OH 3.07Å; F683-Y687 HydrophobicContact CB-CD1 4.46Å; F683-Y687 HydrophobicContact CB-CE1 3.58Å; F683-Y687 PolarHBondContact O-N 3.36Å; G684-Y687 PolarHBondContact O-N 2.91Å; Y687-R689 PolarHBondContact O-N 2.79Å
688S78.8Confident64.9Low62 Ų62107.9 Ų107.943%0.43455%0.554SS.*  trans-63.3113.2173.1-65.20000108.3D652 Y686D652-S688 PolarHBondContact OD1-N 2.75Å; D652-S688 WeakPolarHBondContact OD2-CB 3.45Å; D652-S688 PolarHBondContact OD2-OG 3.32Å; Y686-S688 PolarHBondContact O-N 2.76Å
689R68.3Low62.7Low227 Ų227111.3 Ų111.386%0.85757%0.571SS**  trans-73.4135.7169.2-64.9-174.7-176.2-176.10.8107.9Y687 K691Y687-R689 PolarHBondContact O-N 2.79Å; R689-K691 PolarHBondContact O-N 3.34Å
690P54.6Low60.5Low91 Ų91118.2 Ų118.259%0.59161%0.609SS**  trans-57.5125.9170.120.3-25.6000108E692P690-E692 PolarHBondContact O-N 3.37Å
691K38.6Very low58Low207 Ų207120.4 Ų120.490%0.962%0.621SS**  trans-57.7111.6167.7-78-178.3176.2-179.80106.9R689 A693R689-K691 PolarHBondContact O-N 3.34Å; K691-A693 PolarHBondContact O-N 2.88Å
692E32.3Very low56.2Low187 Ų187119 Ų11987%0.87463%0.625SS**PPolyproline II helixtrans-55.9123.7164-75.7175.2169.100106.8P690P690-E692 PolarHBondContact O-N 3.37Å
693A34.8Very low54.2Low80 Ų80127 Ų12766%0.66166%0.659SS**PPolyproline II helixtrans-60.9141.8170.700000107.4K691 E695K691-A693 PolarHBondContact O-N 2.88Å; A693-E695 PolarHBondContact O-N 2.9Å; A693-E695 VanDerWaalsContact O-N 3.15Å
694P34.7Very low51.9Low121 Ų121139 Ų13979%0.78670%0.704SS**PPolyproline II helixtrans-53.4127.1170.922.8-30.7000107.9P696P694-P696 VanDerWaalsContact O-N 3.15Å
695E34.6Very low49.9Very low183 Ų183143.3 Ų143.386%0.85572%0.724SS**PPolyproline II helixtrans-49.4123.1176.7-71.8-169.1154.900108.7A693 M697A693-E695 PolarHBondContact O-N 2.9Å; A693-E695 VanDerWaalsContact O-N 3.15Å; E695-M697 PolarHBondContact O-N 3.34Å; E695-M697 VanDerWaalsContact O-N 3.15Å
696P38.2Very low47.9Very low119 Ų119140.5 Ų140.577%0.77373%0.732SS**PPolyproline II helixtrans-68.5116.9172.512.1-4.9000107.4P694 E698P694-P696 VanDerWaalsContact O-N 3.15Å; P696-E698 PolarHBondContact O-N 3.19Å
697M38.8Very low46Very low184 Ų184148.8 Ų148.891%0.90677%0.765SS**PPolyproline II helixtrans-50.5126.2161.2-78.6-177.7175.100108.2E695 L699E695-M697 PolarHBondContact O-N 3.34Å; E695-M697 VanDerWaalsContact O-N 3.15Å; M697-L699 PolarHBondContact O-N 2.72Å
698E45.7Very low43.7Very low194 Ų194154.8 Ų154.891%0.90780%0.797SS**  trans-52.6106178.9-68.7-175.3154.800111.1P696P696-E698 PolarHBondContact O-N 3.19Å
699L42.1Very low42.1Very low164 Ų164158.8 Ų158.886%0.85981%0.807SS**  trans-140.7118.7153.3-73.7176.4000107.9M697 D701M697-L699 PolarHBondContact O-N 2.72Å; L699-D701 PolarHBondContact O-N 3.35Å
700D43.3Very low41Very low173 Ų173154 Ų15493%0.92580%0.803SS**  trans-46116.6176.7-81.8-46.2000112.9
701D34.7Very low41.1Very low141 Ų141155.3 Ų155.375%0.75480%0.801SS**  trans-151.7118.4156.9-141.8-10000111.1L699 K703L699-D701 PolarHBondContact O-N 3.35Å; D701-K703 PolarHBondContact O-N 2.94Å
702P45.8Very low42.1Very low122 Ų122151.7 Ų151.779%0.79279%0.791SS**  trans-86.374.5-174.634.8-32.7000110.7
703K42.3Very low43.7Very low178 Ų178146.9 Ų146.977%0.77477%0.77SS**  trans-135.985.1163.3-75.5-175.4-177.6169.30110.3D701 T705D701-K703 PolarHBondContact O-N 2.94Å; K703-T705 PolarHBondContact O-N 2.92Å
704R41.7Very low45.1Very low252 Ų252144.9 Ų144.995%0.95175%0.751SS**  trans-55.1106.4163.5-81.9-176.9174.2-178.4-1.6109.2G706R704-G706 PolarHBondContact O-N 3.43Å; R704-G706 VanDerWaalsContact O-N 3.12Å
705T42.8Very low46.4Very low122 Ų122143 Ų14375%0.74874%0.737SS**  trans-73.696.7163.441.50000108.1K703 Y707K703-T705 PolarHBondContact O-N 2.92Å; T705-Y707 VanDerWaalsContact C-N 3.27Å; T705-Y707 PolarHBondContact O-N 3.48Å
706G40.5Very low47.9Very low73 Ų73136.3 Ų136.375%0.75371%0.711SS**  trans-77.757.6-175.200000114.9R704R704-G706 PolarHBondContact O-N 3.43Å; R704-G706 VanDerWaalsContact O-N 3.12Å
707Y48.1Very low48.6Very low216 Ų216139.2 Ų139.285%0.84771%0.714SS**PPolyproline II helixtrans-93.9117.8166.8-66.6-75.9000109.7T705 K709T705-Y707 VanDerWaalsContact C-N 3.27Å; T705-Y707 PolarHBondContact O-N 3.48Å; Y707-K709 PolarHBondContact O-N 2.92Å
708I38.1Very low49.3Very low154 Ų154133 Ų13379%0.7969%0.687SS**PPolyproline II helixtrans-70.1127.2173.8-61.1173.4000107.6T710I708-T710 PolarHBondContact O-N 2.93Å
709K43.8Very low48.8Very low146 Ų146130.1 Ų130.164%0.63567%0.673SS**PPolyproline II helixtrans-64.4116.7173-170.5-176.8176.7-157.10108.7Y707 E711Y707-K709 PolarHBondContact O-N 2.92Å; K709-E711 WeakPolarHBondContact CE-OE1 3.38Å; K709-E711 IonicContact NZ-OE1 3.7Å; K709-E711 PolarHBondContact NZ-OE1 3.39Å; K709-E711 VanDerWaalsContact NZ-OE1 3.07Å
710T45.8Very low48.4Very low126 Ų126126.9 Ų126.977%0.77366%0.661SS**PPolyproline II helixtrans-100.9130.2179.154.90000110.4I708I708-T710 PolarHBondContact O-N 2.93Å
711E55.8Low48.2Very low120 Ų120122.3 Ų122.356%0.56164%0.643SS**  trans-119.3134172.4-69.4-179.4-175.700109.1K709K709-E711 WeakPolarHBondContact CE-OE1 3.38Å; K709-E711 IonicContact NZ-OE1 3.7Å; K709-E711 PolarHBondContact NZ-OE1 3.39Å; K709-E711 VanDerWaalsContact NZ-OE1 3.07Å
712L61.1Low48.6Very low131 Ų131123.9 Ų123.969%0.68664%0.639SS**  trans-80.2125.2178.2-72169000109.4V648V648-L712 HydrophobicContact CG2-CB 3.97Å; V648-L712 HydrophobicContact CG2-CD1 4.41Å
713I64.9Low48.3Very low85 Ų85122.7 Ų122.744%0.43663%0.625SS.*  trans-120127.3179.6-56.8175.7000108.3N656 V715N656-I713 HydrophobicContact CB-CG2 4.49Å; N656-I713 VanDerWaalsContact O-CG2 3.25Å; N656-I713 WeakPolarHBondContact O-CG2 3.44Å; I713-V715 HydrophobicContact CG2-CG2 4.09Å
714S63.6Low47.9Very low38 Ų38121.3 Ų121.327%0.26662%0.621SS.*  trans-79119.1172.4-61.50000110K658K658-S714 PolarHBondContact N-O 3.14Å
715V62.2Low47.6Very low81 Ų81114.6 Ų114.649%0.49161%0.609SS.*EExtended strand (participates in β ladder)trans-122.2129.6175.8-174.40000109.1K658 I713K658-V715 HydrophobicContact CB-CG2 4.42Å; K658-V715 VanDerWaalsContact O-CA 3.32Å; K658-V715 WeakPolarHBondContact O-CA 3.33Å; I713-V715 HydrophobicContact CG2-CG2 4.09Å
716S66.6Low47.4Very low43 Ų43113.3 Ų113.330%0.30160%0.6SS.*EExtended strand (participates in β ladder)trans-103.8129.2173.9-66.10000110.9Y657 K658Y657-S716 WeakPolarHBondContact OH-CB 3.34Å; Y657-S716 PolarHBondContact OH-OG 3.33Å; K658-S716 PolarHBondContact O-N 3.24Å
717E52.8Low47.4Very low180 Ų180116.7 Ų116.784%0.84160%0.602SS**PPolyproline II helixtrans-86.1131.5173.4-66.7-179.4177.300110.1
718V53.5Low47.1Very low55 Ų55113.4 Ų113.433%0.33360%0.599SS.*PPolyproline II helixtrans-77.3128.3174.6-175.20000108.7V659 M660 R722V659-V718 HydrophobicContact CG1-CG2 4.04Å; M660-V718 WeakPolarHBondContact O-CG2 3.37Å; V718-R722 HydrophobicContact CG1-CB 4.16Å
719H34.7Very low47.1Very low133 Ų133113.1 Ų113.162%0.61660%0.598SS**PPolyproline II helixtrans-57.8132.5-177.5-162.1-80000111.1S721 R722H719-S721 PolarHBondContact ND1-OG 3.17Å; H719-S721 PolarHBondContact O-N 3.02Å; H719-R722 PolarHBondContact O-N 3.11Å
720P33.7Very low47Very low95 Ų95113.9 Ų113.962%0.61761%0.608SS**G310 helixtrans-61.3-12.9-171.919.4-31000115.3R722 L723P720-R722 VanDerWaalsContact C-N 3.29Å; P720-R722 PolarHBondContact O-N 3.33Å; P720-L723 PolarHBondContact O-N 3.47Å
721S39.3Very low47.2Very low78 Ų78113.7 Ų113.755%0.54561%0.609SS.*G310 helixtrans-74.8-12.5172.353.50000114.4H719H719-S721 PolarHBondContact ND1-OG 3.17Å; H719-S721 PolarHBondContact O-N 3.02Å
722R43.9Very low46.6Very low174 Ų174114.2 Ų114.266%0.65761%0.613SS**G310 helixtrans-96.3-4170.1-68.5-168.7-179.6-168.60.4113.4V718 H719 P720 Q724V718-R722 HydrophobicContact CG1-CB 4.16Å; H719-R722 PolarHBondContact O-N 3.11Å; P720-R722 VanDerWaalsContact C-N 3.29Å; P720-R722 PolarHBondContact O-N 3.33Å; R722-Q724 VanDerWaalsContact C-N 3.35Å
723L39Very low46.4Very low97 Ų97110.1 Ų110.151%0.50860%0.595SS.*  trans-9213.9177.4-77166.9000113.2P720 T725P720-L723 PolarHBondContact O-N 3.47Å; L723-T725 PolarHBondContact O-N 2.8Å
724Q35.1Very low45.9Very low148 Ų148111.4 Ų111.469%0.69261%0.609SS**  trans-83.695.5176.9-74.9-174-10.700111.6R722R722-Q724 VanDerWaalsContact C-N 3.35Å
725T34.5Very low45.6Very low112 Ų112117.4 Ų117.469%0.68763%0.633SS**  trans-118.179.1136.915.70000107.7L723 D727L723-T725 PolarHBondContact O-N 2.8Å; T725-D727 PolarHBondContact O-N 3.31Å
726T38.3Very low45.3Very low94 Ų94118.6 Ų118.658%0.57763%0.633SS**G310 helixtrans-74.83.9162.442.70000112.3N728T726-N728 VanDerWaalsContact C-N 3.28Å; T726-N728 PolarHBondContact O-N 3.35Å
727D41.5Very low44.9Very low145 Ų145123 Ų12378%0.77565%0.647SS**G310 helixtrans-81.41.6-177.4-70.3-18.9000114.4T725T725-D727 PolarHBondContact O-N 3.31Å
728N40.8Very low44.9Very low147 Ų147118.3 Ų118.379%0.78663%0.628SS**G310 helixtrans-108.49.4175.1-79.3-19.8000114.7T726 L730T726-N728 VanDerWaalsContact C-N 3.28Å; T726-N728 PolarHBondContact O-N 3.35Å; N728-L730 PolarHBondContact O-N 3.38Å
729L38.2Very low45.2Very low148 Ų148122.2 Ų122.278%0.77564%0.642SS**  trans-87.194.4167.3-70.7170.8000108.7
730L42.3Very low46.1Very low161 Ų161121 Ų12184%0.84364%0.639SS**PPolyproline II helixtrans-54.3132.9161.2-73.4163.5000108.1N728 M732N728-L730 PolarHBondContact O-N 3.38Å; L730-M732 PolarHBondContact O-N 3.04Å
731P48.6Very low47.1Very low122 Ų122119.3 Ų119.379%0.79263%0.629SS**PPolyproline II helixtrans-62.8127.9174.624.8-30.5000108.9
732M45Very low47.9Very low132 Ų132124.9 Ų124.965%0.6564%0.638SS**PPolyproline II helixtrans-50.9142.8173.2-79.4-171.4-7200110.4L730L730-M732 PolarHBondContact O-N 3.04Å
733S56.5Low48.8Very low45 Ų45122.4 Ų122.432%0.31564%0.636SS.*PPolyproline II helixtrans-67.1151177.964.60000110.6E735 E736 F737S733-E735 PolarHBondContact O-N 3.28Å; S733-E736 PolarHBondContact N-OE2 3.44Å; S733-E736 PolarHBondContact O-N 3.12Å; S733-E736 VanDerWaalsContact O-N 3.07Å; S733-E736 VanDerWaalsContact OG-CD 3.28Å; S733-E736 WeakPolarHBondContact OG-CG 3.49Å; S733-E736 PolarHBondContact OG-OE2 3.38Å; S733-F737 PolarHBondContact O-N 2.82Å
734P54.7Low49.6Very low112 Ų112121.1 Ų121.173%0.72763%0.632SS**Hα-helixtrans-56.5-23.7179.7-26.234.7000114.3D738P734-D738 PolarHBondContact O-N 3.21Å
735E56.6Low50.6Low164 Ų164116.2 Ų116.277%0.76662%0.621SS**Hα-helixtrans-75.1-36.4179.4-65.9172.6173.100111.7S733 E739S733-E735 PolarHBondContact O-N 3.28Å; E735-E739 PolarHBondContact O-N 3.44Å
736E56Low51.4Low105 Ų105117.3 Ų117.349%0.49163%0.631SS.*Hα-helixtrans-74.5-30.8176.9-67.9164.9142.800112.1S733 M740S733-E736 PolarHBondContact N-OE2 3.44Å; S733-E736 PolarHBondContact O-N 3.12Å; S733-E736 VanDerWaalsContact O-N 3.07Å; S733-E736 VanDerWaalsContact OG-CD 3.28Å; S733-E736 WeakPolarHBondContact OG-CG 3.49Å; S733-E736 PolarHBondContact OG-OE2 3.38Å; E736-M740 WeakPolarHBondContact O-CB 3.4Å; E736-M740 PolarHBondContact O-N 2.77Å; E736-M740 VanDerWaalsContact O-N 3.12Å
737F57.8Low52Low137 Ų137121.3 Ų121.360%0.60164%0.643SS**Hα-helixtrans-70.3-38.5175.8-173.4-96.2000112.4S733 E739 M740 S741S733-F737 PolarHBondContact O-N 2.82Å; F737-E739 VanDerWaalsContact C-N 3.31Å; F737-M740 PolarHBondContact O-N 3.28Å; F737-S741 WeakPolarHBondContact O-CB 3.36Å; F737-S741 PolarHBondContact O-N 3.3Å; F737-S741 PolarHBondContact O-OG 3.36Å
738D52.9Low52.3Low81 Ų81121.9 Ų121.943%0.43364%0.638SS.*Hα-helixtrans-71.9-27.1179.2-148.757.6000112.1P734 S741 R742P734-D738 PolarHBondContact O-N 3.21Å; D738-S741 WeakPolarHBondContact CA-OG 3.47Å; D738-S741 PolarHBondContact O-OG 3.32Å; D738-R742 WeakPolarHBondContact O-CG 3.34Å; D738-R742 IonicContact OD2-CZ 3.8Å; D738-R742 IonicContact OD2-NE 3.9Å; D738-R742 IonicContact OD2-NH2 2.93Å; D738-R742 PolarHBondContact OD2-NH2 3.36Å
739E59.8Low52.4Low136 Ų136122.1 Ų122.164%0.63664%0.64SS**Hα-helixtrans-77.6-38.9174-161.7159.5-158.100111.8E735 F737 R742 I743E735-E739 PolarHBondContact O-N 3.44Å; F737-E739 VanDerWaalsContact C-N 3.31Å; E739-R742 PolarHBondContact O-N 3.08Å; E739-I743 WeakPolarHBondContact O-CD1 3.42Å; E739-I743 WeakPolarHBondContact O-CG1 3.4Å; E739-I743 PolarHBondContact O-N 3.29Å
740M53.1Low52.7Low109 Ų109119.7 Ų119.754%0.53764%0.635SS.*Hα-helixtrans-71-35.1177.9-150.469.6-165.600113E736 F737 R742 I743 V744E736-M740 WeakPolarHBondContact O-CB 3.4Å; E736-M740 PolarHBondContact O-N 2.77Å; E736-M740 VanDerWaalsContact O-N 3.12Å; F737-M740 PolarHBondContact O-N 3.28Å; M740-R742 VanDerWaalsContact C-N 3.28Å; M740-R742 PolarHBondContact O-N 3.07Å; M740-I743 PolarHBondContact O-N 2.7Å; M740-V744 PolarHBondContact O-N 3.04Å; M740-V744 VanDerWaalsContact O-N 3.08Å
741S54.4Low52.6Low59 Ų59120.3 Ų120.341%0.41364%0.636SS.*Hα-helixtrans-72.9-16.7175.847.80000113.8F737 D738F737-S741 WeakPolarHBondContact O-CB 3.36Å; F737-S741 PolarHBondContact O-N 3.3Å; F737-S741 PolarHBondContact O-OG 3.36Å; D738-S741 WeakPolarHBondContact CA-OG 3.47Å; D738-S741 PolarHBondContact O-OG 3.32Å
742R56.7Low52.3Low195 Ų195122.8 Ų122.874%0.73664%0.639SS**Hα-helixtrans-81.5-27.4167.4-73.9179.6-157.8177.110.7113.3D738 E739 M740D738-R742 WeakPolarHBondContact O-CG 3.34Å; D738-R742 IonicContact OD2-CZ 3.8Å; D738-R742 IonicContact OD2-NE 3.9Å; D738-R742 IonicContact OD2-NH2 2.93Å; D738-R742 PolarHBondContact OD2-NH2 3.36Å; E739-R742 PolarHBondContact O-N 3.08Å; M740-R742 VanDerWaalsContact C-N 3.28Å; M740-R742 PolarHBondContact O-N 3.07Å
743I62.1Low51.9Low122 Ų122121.2 Ų121.263%0.62664%0.641SS**Hα-helixtrans-82.5-35.1-178.1-66165.1000111E739 M740E739-I743 WeakPolarHBondContact O-CD1 3.42Å; E739-I743 WeakPolarHBondContact O-CG1 3.4Å; E739-I743 PolarHBondContact O-N 3.29Å; M740-I743 PolarHBondContact O-N 2.7Å
744V56.8Low51.1Low69 Ų69125.2 Ų125.242%0.41866%0.664SS.*SBendtrans-102.1101.6-179.1-171.70000108.3M740 F748M740-V744 PolarHBondContact O-N 3.04Å; M740-V744 VanDerWaalsContact O-N 3.08Å; V744-F748 HydrophobicContact CG1-CD2 3.93Å
745G56Low50.3Low45 Ų45130.2 Ų130.246%0.46469%0.692SS.*  trans-58.2-179.2178.100000114.4E747G745-E747 PolarHBondContact O-N 3.04Å
746P51.3Low50Low136 Ų136128.5 Ų128.588%0.88369%0.688SS**THydrogen-bonded Turntrans-74.624.1-157.824.8-23.7000116.3
747E50Low49.7Very low178 Ų178129.7 Ų129.783%0.83270%0.698SS**THydrogen-bonded Turntrans-90.2-2.3-179.9-70.3-169.7160.500114.1G745G745-E747 PolarHBondContact O-N 3.04Å
748F47.8Very low49.2Very low156 Ų156129.3 Ų129.368%0.68470%0.704SS**SBendtrans-86.5-21.6-177.9-125.2-89.3000115V744 S750V744-F748 HydrophobicContact CG1-CD2 3.93Å; F748-S750 PolarHBondContact O-N 3.41Å
749D43.4Very low49Very low153 Ų153132.2 Ų132.282%0.81872%0.72SS**THydrogen-bonded Turntrans-75.4-9.1-177.6-90.7-14.8000114
750S44.2Very low48.3Very low97 Ų97131.9 Ų131.968%0.67873%0.725SS**THydrogen-bonded Turntrans-84.6-13.7-178.9177.20000114.5F748F748-S750 PolarHBondContact O-N 3.41Å
751M40.8Very low48Very low173 Ų173133.5 Ų133.585%0.85274%0.737SS**SBendtrans-103.5-6-173.2-83.3-168.2171.400115
752M41.4Very low47.6Very low174 Ų174138.8 Ų138.886%0.85776%0.761SS**SBendtrans-89.7-5.9-179.3-86.2-110.1-128.400114.6T754M752-T754 PolarHBondContact O-N 2.93Å
753S37.5Very low46.8Very low99 Ų99134.5 Ų134.569%0.69276%0.762SS**SBendtrans-96.736.8-175.962.10000114.6
754T40.5Very low45.6Very low130 Ų130135.5 Ų135.580%0.79877%0.774SS**  trans-153.278.8164.6-13.90000112.1M752M752-T754 PolarHBondContact O-N 2.93Å
755V37.2Very low44.6Very low216 Ų216141.5 Ų141.5100%1.30981%0.806SS**  trans-134.70142.9-178.30000107.8

Retrieved 755 of 755 residues in 1129.8 ms (Link to these results)

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