A0A093HNM5_STRCA Loading...

Protein Wnt

Ligand for members of the frizzled family of seven transmembrane receptors that functions in the canonical Wnt/beta-catenin signaling pathway. Required for normal fusion of the chorion and the allantois during placenta development. Required for central nervous system (CNS) angiogenesis and blood-brain barrier regulation.

AlphaFold DB (Q3L254), UniProt , Accession A0A093HNM5, Species STRCA (Struthio camelus australis), Gene n/a, Length 349 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
1M55.1Low71.9Confident228 Ų228152.2 Ų152.2100%1.12366%0.66SS**  0-22.90-135.3162.8148.900114.9R3M1-R3 PolarHBondContact O-N 3.35Å
2H67Low72.4Confident172 Ų172143.7 Ų143.780%0.79663%0.63SS**Hα-helixtrans-68.4-22.8-174.1-94.4-70.7000117.8
3R68.3Low72.8Confident201 Ų201143.9 Ų143.976%0.75863%0.631SS**Hα-helixtrans-75.1-31.5-173.4-149172.287.8168.44.7113.7M1M1-R3 PolarHBondContact O-N 3.35Å
4N71.4Confident72.9Confident125 Ų125141.5 Ų141.567%0.66863%0.627SS**Hα-helixtrans-78-35.3-179.6-76.3-11.5000112.5R6 K7 W8N4-R6 PolarHBondContact O-N 3.24Å; N4-K7 PolarHBondContact O-N 3.44Å; N4-W8 PolarHBondContact O-N 3.46Å
5F73.9Confident73Confident126 Ų126136.9 Ų136.955%0.55362%0.618SS**Hα-helixtrans-63.8-40.9177.8-170-110.9000112.2K7 W8 I9F5-K7 VanDerWaalsContact C-N 3.35Å; F5-K7 PolarHBondContact O-N 3.28Å; F5-W8 PolarHBondContact O-N 3.06Å; F5-I9 HydrophobicContact CD1-CD1 3.68Å; F5-I9 HydrophobicContact CE1-CD1 3.31Å; F5-I9 HydrophobicContact CE1-CG1 4.28Å; F5-I9 HydrophobicContact CG-CD1 4.47Å; F5-I9 HydrophobicContact CZ-CD1 3.81Å; F5-I9 HydrophobicContact CZ-CG1 4.4Å; F5-I9 PolarHBondContact O-N 3.05Å
6R71.4Confident72.8Confident187 Ų187135.9 Ų135.971%0.70661%0.613SS**Hα-helixtrans-65.1-36177.1-162.9173.4171.5-176.4-3.6112.6N4 F10N4-R6 PolarHBondContact O-N 3.24Å; R6-F10 PolarHBondContact O-N 3.01Å
7K72.6Confident72.3Confident114 Ų114129.8 Ų129.850%0.49660%0.596SS.*Hα-helixtrans-65.3-44.3172.8-76.5-172.2175.1-169.90111.6N4 F5 F10 Y11N4-K7 PolarHBondContact O-N 3.44Å; F5-K7 VanDerWaalsContact C-N 3.35Å; F5-K7 PolarHBondContact O-N 3.28Å; K7-F10 WeakPolarHBondContact O-CB 3.12Å; K7-F10 PolarHBondContact O-N 2.95Å; K7-Y11 WeakPolarHBondContact O-CD2 3.39Å; K7-Y11 PolarHBondContact O-N 3.24Å
8W79.2Confident72.1Confident166 Ų166126.6 Ų126.663%0.62959%0.587SS**Hα-helixtrans-63-44.8-179-170.870.9000112.4N4 F5 F10 Y11 V12N4-W8 PolarHBondContact O-N 3.46Å; F5-W8 PolarHBondContact O-N 3.06Å; W8-F10 VanDerWaalsContact C-N 3.29Å; W8-F10 PolarHBondContact O-N 3.46Å; W8-Y11 PolarHBondContact O-N 3.36Å; W8-Y11 VanDerWaalsContact O-N 3.15Å; W8-V12 HydrophobicContact CD2-CG2 4.19Å; W8-V12 HydrophobicContact CE3-CG2 4.48Å; W8-V12 HydrophobicContact CH2-CG2 4.47Å; W8-V12 HydrophobicContact CZ2-CG2 4.16Å; W8-V12 WeakPolarHBondContact O-CG2 3.38Å; W8-V12 PolarHBondContact O-N 3.2Å
9I77.5Confident71.6Confident61 Ų61125.1 Ų125.131%0.31358%0.583SS.*Hα-helixtrans-56.6-44.8173.4-71.5171.9000111F5 Y11 V12 F13F5-I9 HydrophobicContact CD1-CD1 3.68Å; F5-I9 HydrophobicContact CE1-CD1 3.31Å; F5-I9 HydrophobicContact CE1-CG1 4.28Å; F5-I9 HydrophobicContact CG-CD1 4.47Å; F5-I9 HydrophobicContact CZ-CD1 3.81Å; F5-I9 HydrophobicContact CZ-CG1 4.4Å; F5-I9 PolarHBondContact O-N 3.05Å; I9-Y11 PolarHBondContact O-N 2.96Å; I9-V12 PolarHBondContact O-N 3.15Å; I9-F13 HydrophobicContact CG2-CD2 3.53Å; I9-F13 HydrophobicContact CG2-CE2 3.54Å; I9-F13 VanDerWaalsContact O-CD2 3.29Å; I9-F13 WeakPolarHBondContact O-CD2 3.31Å; I9-F13 PolarHBondContact O-N 3.35Å
10F76.3Confident71Confident136 Ų136127.9 Ų127.960%0.59659%0.589SS**Hα-helixtrans-59-44.7176.4-106.4-86000112.6R6 K7 W8 F13 L14R6-F10 PolarHBondContact O-N 3.01Å; K7-F10 WeakPolarHBondContact O-CB 3.12Å; K7-F10 PolarHBondContact O-N 2.95Å; W8-F10 VanDerWaalsContact C-N 3.29Å; W8-F10 PolarHBondContact O-N 3.46Å; F10-F13 PolarHBondContact O-N 2.87Å; F10-L14 VanDerWaalsContact O-CB 3.31Å; F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 3.27Å
11Y78Confident70.5Confident158 Ų158126.6 Ų126.662%0.6259%0.59SS**Hα-helixtrans-64.2-40176.9-78.4-70.8000112.5K7 W8 I9 L14 C15K7-Y11 WeakPolarHBondContact O-CD2 3.39Å; K7-Y11 PolarHBondContact O-N 3.24Å; W8-Y11 PolarHBondContact O-N 3.36Å; W8-Y11 VanDerWaalsContact O-N 3.15Å; I9-Y11 PolarHBondContact O-N 2.96Å; Y11-L14 PolarHBondContact O-N 3.4Å; Y11-C15 WeakPolarHBondContact O-CB 3.29Å; Y11-C15 PolarHBondContact O-N 3.27Å; Y11-C15 PolarHBondContact O-SG 3.35Å; Y11-C15 VanDerWaalsContact O-SG 3.35Å
12V78.8Confident70.5Confident50 Ų50122.6 Ų122.630%0.30357%0.567SS.*Hα-helixtrans-63.5-48.1177.3172.90000110.7W8 I9 L14 C15 F16W8-V12 HydrophobicContact CD2-CG2 4.19Å; W8-V12 HydrophobicContact CE3-CG2 4.48Å; W8-V12 HydrophobicContact CH2-CG2 4.47Å; W8-V12 HydrophobicContact CZ2-CG2 4.16Å; W8-V12 WeakPolarHBondContact O-CG2 3.38Å; W8-V12 PolarHBondContact O-N 3.2Å; I9-V12 PolarHBondContact O-N 3.15Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.45Å; V12-C15 PolarHBondContact O-N 2.92Å; V12-F16 HydrophobicContact CG1-CD2 3.59Å; V12-F16 HydrophobicContact CG1-CE2 3.47Å; V12-F16 VanDerWaalsContact CG1-CE2 3.47Å; V12-F16 WeakPolarHBondContact O-CD2 3.46Å; V12-F16 PolarHBondContact O-N 3.31Å
13F77.3Confident69.8Low147 Ų147120.4 Ų120.465%0.64556%0.56SS**Hα-helixtrans-62.4-36.3175.1-84.3-71.6000112.8I9 F10 F16 G17I9-F13 HydrophobicContact CG2-CD2 3.53Å; I9-F13 HydrophobicContact CG2-CE2 3.54Å; I9-F13 VanDerWaalsContact O-CD2 3.29Å; I9-F13 WeakPolarHBondContact O-CD2 3.31Å; I9-F13 PolarHBondContact O-N 3.35Å; F10-F13 PolarHBondContact O-N 2.87Å; F13-F16 PolarHBondContact O-N 2.91Å; F13-G17 PolarHBondContact O-N 2.82Å
14L74.4Confident68.9Low110 Ų110112.8 Ų112.858%0.57654%0.544SS*.Hα-helixtrans-68-40.8177-152.9126.7000111.2F10 Y11 V12 G17 V18F10-L14 VanDerWaalsContact O-CB 3.31Å; F10-L14 WeakPolarHBondContact O-CB 3.45Å; F10-L14 PolarHBondContact O-N 3.27Å; Y11-L14 PolarHBondContact O-N 3.4Å; V12-L14 VanDerWaalsContact C-N 3.3Å; V12-L14 PolarHBondContact O-N 3.45Å; L14-G17 PolarHBondContact O-N 3.46Å; L14-V18 HydrophobicContact CD2-CG2 4.47Å; L14-V18 WeakPolarHBondContact O-CB 3.2Å; L14-V18 VanDerWaalsContact O-CG2 3.24Å; L14-V18 WeakPolarHBondContact O-CG2 3.24Å; L14-V18 PolarHBondContact O-N 3.39Å
15C73.7Confident68.1Low73 Ų73109 Ų10949%0.49353%0.53SS..Hα-helixtrans-63.4-46.9173.2-74.70000111.9Y11 V12 G17 V18 I19Y11-C15 WeakPolarHBondContact O-CB 3.29Å; Y11-C15 PolarHBondContact O-N 3.27Å; Y11-C15 PolarHBondContact O-SG 3.35Å; Y11-C15 VanDerWaalsContact O-SG 3.35Å; V12-C15 PolarHBondContact O-N 2.92Å; C15-G17 VanDerWaalsContact C-N 3.33Å; C15-G17 PolarHBondContact O-N 3.48Å; C15-V18 PolarHBondContact O-N 2.87Å; C15-I19 WeakPolarHBondContact O-CB 3.48Å; C15-I19 WeakPolarHBondContact O-CD1 3.22Å; C15-I19 VanDerWaalsContact O-CG1 3.22Å; C15-I19 WeakPolarHBondContact O-CG1 3.49Å; C15-I19 PolarHBondContact O-N 2.88Å
16F70Confident67Low121 Ų121108.8 Ų108.853%0.53153%0.534SS..Hα-helixtrans-62.3-40.6175.5-81.5-67.7000112V12 F13 I19 Y20V12-F16 HydrophobicContact CG1-CD2 3.59Å; V12-F16 HydrophobicContact CG1-CE2 3.47Å; V12-F16 VanDerWaalsContact CG1-CE2 3.47Å; V12-F16 WeakPolarHBondContact O-CD2 3.46Å; V12-F16 PolarHBondContact O-N 3.31Å; F13-F16 PolarHBondContact O-N 2.91Å; F16-I19 PolarHBondContact O-N 3.39Å; F16-Y20 WeakPolarHBondContact O-CB 3.44Å; F16-Y20 PolarHBondContact O-N 3.27Å
17G65.1Low66.2Low32 Ų32103.8 Ų103.833%0.3353%0.528SS..Hα-helixtrans-61.7-45.717500000112.6F13 L14 C15 Y20 V21F13-G17 PolarHBondContact O-N 2.82Å; L14-G17 PolarHBondContact O-N 3.46Å; C15-G17 VanDerWaalsContact C-N 3.33Å; C15-G17 PolarHBondContact O-N 3.48Å; G17-Y20 PolarHBondContact O-N 3.46Å; G17-V21 WeakPolarHBondContact O-CB 3.41Å; G17-V21 WeakPolarHBondContact O-CG2 3.21Å; G17-V21 PolarHBondContact O-N 2.91Å
18V67.3Low65.5Low72 Ų72101.5 Ų101.544%0.43653%0.526SS..Hα-helixtrans-66-38.8177173.20000111.5L14 C15 V21 K22L14-V18 HydrophobicContact CD2-CG2 4.47Å; L14-V18 WeakPolarHBondContact O-CB 3.2Å; L14-V18 VanDerWaalsContact O-CG2 3.24Å; L14-V18 WeakPolarHBondContact O-CG2 3.24Å; L14-V18 PolarHBondContact O-N 3.39Å; C15-V18 PolarHBondContact O-N 2.87Å; V18-V21 PolarHBondContact O-N 3.47Å; V18-K22 HydrophobicContact CG1-CG 4.48Å; V18-K22 WeakPolarHBondContact O-CB 3.33Å; V18-K22 WeakPolarHBondContact O-CG 3.46Å; V18-K22 PolarHBondContact O-N 2.84Å
19I63.3Low64.5Low97 Ų9798.3 Ų98.350%0.49753%0.525SS..Hα-helixtrans-65.3-46.7175.5-68.3165.2000110.3C15 F16 V21 K22 L23C15-I19 WeakPolarHBondContact O-CB 3.48Å; C15-I19 WeakPolarHBondContact O-CD1 3.22Å; C15-I19 VanDerWaalsContact O-CG1 3.22Å; C15-I19 WeakPolarHBondContact O-CG1 3.49Å; C15-I19 PolarHBondContact O-N 2.88Å; F16-I19 PolarHBondContact O-N 3.39Å; I19-V21 VanDerWaalsContact C-N 3.35Å; I19-V21 PolarHBondContact O-N 2.86Å; I19-K22 PolarHBondContact O-N 3.39Å; I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 PolarHBondContact O-N 2.87Å
20Y59.6Low63.7Low181 Ų181100.1 Ų100.171%0.7154%0.539SS*.Hα-helixtrans-61-41.7175.8-101.9-85.3000112.2F16 G17 G24F16-Y20 WeakPolarHBondContact O-CB 3.44Å; F16-Y20 PolarHBondContact O-N 3.27Å; G17-Y20 PolarHBondContact O-N 3.46Å; Y20-G24 WeakPolarHBondContact O-CA 3.42Å; Y20-G24 PolarHBondContact O-N 2.85Å
21V59.7Low63Low102 Ų10295.8 Ų95.862%0.61853%0.528SS*.Hα-helixtrans-66.6-42176.2171.20000110.9G17 V18 I19 A25G17-V21 WeakPolarHBondContact O-CB 3.41Å; G17-V21 WeakPolarHBondContact O-CG2 3.21Å; G17-V21 PolarHBondContact O-N 2.91Å; V18-V21 PolarHBondContact O-N 3.47Å; I19-V21 VanDerWaalsContact C-N 3.35Å; I19-V21 PolarHBondContact O-N 2.86Å; V21-A25 WeakPolarHBondContact O-CA 3.39Å; V21-A25 WeakPolarHBondContact O-CB 3.48Å; V21-A25 PolarHBondContact O-N 3.03Å
22K55Low62.3Low144 Ų14493.8 Ų93.863%0.62653%0.527SS*.Hα-helixtrans-68.1-42.5177.6-78.1-164.6176.4-171.70112.7V18 I19 L26V18-K22 HydrophobicContact CG1-CG 4.48Å; V18-K22 WeakPolarHBondContact O-CB 3.33Å; V18-K22 WeakPolarHBondContact O-CG 3.46Å; V18-K22 PolarHBondContact O-N 2.84Å; I19-K22 PolarHBondContact O-N 3.39Å; K22-L26 WeakPolarHBondContact O-CB 3.01Å; K22-L26 WeakPolarHBondContact O-CD1 3.47Å; K22-L26 WeakPolarHBondContact O-CG 3.46Å; K22-L26 PolarHBondContact O-N 2.78Å
23L53.3Low62.4Low126 Ų12692.8 Ų92.866%0.6653%0.527SS*.Hα-helixtrans-66.7-44.4176.1-123.179.4000111.4I19 S27I19-L23 WeakPolarHBondContact O-CB 3.39Å; I19-L23 PolarHBondContact O-N 2.87Å; L23-S27 WeakPolarHBondContact O-CB 3.32Å; L23-S27 PolarHBondContact O-N 2.9Å
24G49.7Very low62.7Low41 Ų4186 Ų8642%0.42350%0.498SS..Hα-helixtrans-66.4-40.7177.400000112.8Y20 S27 S28Y20-G24 WeakPolarHBondContact O-CA 3.42Å; Y20-G24 PolarHBondContact O-N 2.85Å; G24-S27 PolarHBondContact O-N 3.45Å; G24-S28 WeakPolarHBondContact O-CB 3.42Å; G24-S28 PolarHBondContact O-N 3.27Å; G24-S28 PolarHBondContact O-OG 3.07Å
25A53.4Low63.1Low45 Ų4583.8 Ų83.837%0.37249%0.487SS..Hα-helixtrans-64.8-46.817600000111.5V21 S27 S28 V29V21-A25 WeakPolarHBondContact O-CA 3.39Å; V21-A25 WeakPolarHBondContact O-CB 3.48Å; V21-A25 PolarHBondContact O-N 3.03Å; A25-S27 VanDerWaalsContact C-N 3.35Å; A25-S27 PolarHBondContact O-N 3.25Å; A25-S28 WeakPolarHBondContact CA-OG 3.31Å; A25-S28 PolarHBondContact O-N 3.18Å; A25-S28 PolarHBondContact O-OG 2.95Å; A25-V29 VanDerWaalsContact O-CG2 3.31Å; A25-V29 WeakPolarHBondContact O-CG2 3.42Å; A25-V29 PolarHBondContact O-N 2.8Å
26L51.2Low63.7Low121 Ų12184.5 Ų84.563%0.63449%0.485SS*.Hα-helixtrans-59.7-43.7176-76.6164.7000112.1K22 V30K22-L26 WeakPolarHBondContact O-CB 3.01Å; K22-L26 WeakPolarHBondContact O-CD1 3.47Å; K22-L26 WeakPolarHBondContact O-CG 3.46Å; K22-L26 PolarHBondContact O-N 2.78Å; L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 2.93Å
27S55.7Low64.6Low82 Ų8283.2 Ų83.257%0.57348%0.483SS*.Hα-helixtrans-63.1-43.6176.2-175.10000112.1L23 G24 A25 A31L23-S27 WeakPolarHBondContact O-CB 3.32Å; L23-S27 PolarHBondContact O-N 2.9Å; G24-S27 PolarHBondContact O-N 3.45Å; A25-S27 VanDerWaalsContact C-N 3.35Å; A25-S27 PolarHBondContact O-N 3.25Å; S27-A31 VanDerWaalsContact O-CB 3.27Å; S27-A31 WeakPolarHBondContact O-CB 3.31Å; S27-A31 PolarHBondContact O-N 3.43Å
28S57.6Low65.9Low66 Ų6681.7 Ų81.746%0.46247%0.467SS..Hα-helixtrans-65.4-39.5178.971.60000113.3G24 A25 A31 L32G24-S28 WeakPolarHBondContact O-CB 3.42Å; G24-S28 PolarHBondContact O-N 3.27Å; G24-S28 PolarHBondContact O-OG 3.07Å; A25-S28 WeakPolarHBondContact CA-OG 3.31Å; A25-S28 PolarHBondContact O-N 3.18Å; A25-S28 PolarHBondContact O-OG 2.95Å; S28-A31 PolarHBondContact O-N 2.8Å; S28-L32 VanDerWaalsContact O-CB 3.31Å; S28-L32 WeakPolarHBondContact O-CB 3.27Å; S28-L32 PolarHBondContact O-N 3.4Å
29V58.2Low67Low100 Ų10082.9 Ų82.961%0.60647%0.471SS*.Hα-helixtrans-67.9-43.6178.4173.40000111.4A25 A31 L32 G33A25-V29 VanDerWaalsContact O-CG2 3.31Å; A25-V29 WeakPolarHBondContact O-CG2 3.42Å; A25-V29 PolarHBondContact O-N 2.8Å; V29-A31 VanDerWaalsContact C-N 3.35Å; V29-L32 PolarHBondContact O-N 2.89Å; V29-G33 PolarHBondContact O-N 2.95Å
30V60.9Low68.2Low99 Ų9986.1 Ų86.160%0.648%0.481SS*.Hα-helixtrans-63.7-42.2174.8176.10000110.6L26 G33 A34L26-V30 WeakPolarHBondContact O-CG2 3.47Å; L26-V30 PolarHBondContact O-N 2.93Å; V30-G33 PolarHBondContact O-N 3.29Å; V30-A34 WeakPolarHBondContact O-CB 3.35Å; V30-A34 PolarHBondContact O-N 2.98Å
31A60.6Low69.7Low45 Ų4579.1 Ų79.137%0.37246%0.456SS..Hα-helixtrans-65.2-39.6176.100000112.7S27 S28 V29 G33 A34 N35S27-A31 VanDerWaalsContact O-CB 3.27Å; S27-A31 WeakPolarHBondContact O-CB 3.31Å; S27-A31 PolarHBondContact O-N 3.43Å; S28-A31 PolarHBondContact O-N 2.8Å; V29-A31 VanDerWaalsContact C-N 3.35Å; A31-G33 VanDerWaalsContact C-N 3.34Å; A31-A34 PolarHBondContact O-N 3.39Å; A31-N35 WeakPolarHBondContact O-CB 3.46Å; A31-N35 PolarHBondContact O-N 3.36Å; A31-N35 PolarHBondContact O-ND2 3.09Å
32L63.7Low71.1Confident116 Ų11678.1 Ų78.161%0.60745%0.451SS*.Hα-helixtrans-62.7-43.8174.7-154.684.6000110.3S28 V29 N35 I36S28-L32 VanDerWaalsContact O-CB 3.31Å; S28-L32 WeakPolarHBondContact O-CB 3.27Å; S28-L32 PolarHBondContact O-N 3.4Å; V29-L32 PolarHBondContact O-N 2.89Å; L32-N35 PolarHBondContact O-N 3.11Å; L32-I36 HydrophobicContact CG-CD1 4.44Å; L32-I36 WeakPolarHBondContact O-CD1 3.27Å; L32-I36 VanDerWaalsContact O-CG1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.38Å; L32-I36 PolarHBondContact O-N 3.33Å; L32-I36 VanDerWaalsContact O-N 3.11Å
33G80.9Confident72.7Confident29 Ų2973.1 Ų73.130%0.29944%0.441SS..Hα-helixtrans-60.5-46.6174.600000112.8V29 V30 A31 N35 I36 I37V29-G33 PolarHBondContact O-N 2.95Å; V30-G33 PolarHBondContact O-N 3.29Å; A31-G33 VanDerWaalsContact C-N 3.34Å; G33-N35 PolarHBondContact O-N 3.12Å; G33-I36 PolarHBondContact O-N 2.55Å; G33-I37 VanDerWaalsContact O-CG1 3.31Å; G33-I37 WeakPolarHBondContact O-CG1 3.32Å; G33-I37 PolarHBondContact O-N 3.44Å
34A82.7Confident74.6Confident5 Ų567.4 Ų67.44%0.04141%0.411CS..Hα-helixtrans-60.7-45.3177.600000112.2V30 A31 I36 I37 C38 P56V30-A34 WeakPolarHBondContact O-CB 3.35Å; V30-A34 PolarHBondContact O-N 2.98Å; A31-A34 PolarHBondContact O-N 3.39Å; A34-I36 VanDerWaalsContact C-N 3.35Å; A34-I36 PolarHBondContact O-N 3.2Å; A34-I37 PolarHBondContact O-N 3.48Å; A34-C38 WeakPolarHBondContact O-CB 3.41Å; A34-C38 PolarHBondContact O-N 3.45Å; A34-C38 PolarHBondContact O-SG 3.44Å; A34-P56 HydrophobicContact CB-CB 3.84Å; A34-P56 HydrophobicContact CB-CG 3.82Å
35N83.3Confident76.7Confident63 Ų6366.3 Ų66.334%0.33740%0.398SS..Hα-helixtrans-59.7-44.4177.4-79.4-31.8000112.1A31 L32 G33 N39 Q53A31-N35 WeakPolarHBondContact O-CB 3.46Å; A31-N35 PolarHBondContact O-N 3.36Å; A31-N35 PolarHBondContact O-ND2 3.09Å; L32-N35 PolarHBondContact O-N 3.11Å; G33-N35 PolarHBondContact O-N 3.12Å; N35-N39 VanDerWaalsContact O-CB 3.24Å; N35-N39 WeakPolarHBondContact O-CB 3.42Å; N35-N39 PolarHBondContact O-N 3.38Å; N35-N39 VanDerWaalsContact O-N 3.09Å; N35-N39 PolarHBondContact O-ND2 3.09Å; N35-N39 VanDerWaalsContact O-ND2 3.1Å; N35-Q53 VanDerWaalsContact OD1-CG 3.27Å; N35-Q53 WeakPolarHBondContact OD1-CG 3.06Å; N35-Q53 PolarHBondContact OD1-NE2 3.24Å
36I87.1Confident78.5Confident87 Ų8768.7 Ų68.745%0.44641%0.409SS..Hα-helixtrans-62.8-45.6179-68162.7000110.8L32 G33 A34 K40L32-I36 HydrophobicContact CG-CD1 4.44Å; L32-I36 WeakPolarHBondContact O-CD1 3.27Å; L32-I36 VanDerWaalsContact O-CG1 3.27Å; L32-I36 WeakPolarHBondContact O-CG1 3.38Å; L32-I36 PolarHBondContact O-N 3.33Å; L32-I36 VanDerWaalsContact O-N 3.11Å; G33-I36 PolarHBondContact O-N 2.55Å; A34-I36 VanDerWaalsContact C-N 3.35Å; A34-I36 PolarHBondContact O-N 3.2Å; I36-K40 HydrophobicContact CG2-CD 4.48Å; I36-K40 WeakPolarHBondContact O-CG 3.27Å; I36-K40 PolarHBondContact O-N 3.19Å
37I87.9Confident80.6Confident95 Ų9570.2 Ų70.249%0.48741%0.406SS..Hα-helixtrans-65.3-54.4-178.9-65.7165.2000110.1G33 A34 N39 K40 I41G33-I37 VanDerWaalsContact O-CG1 3.31Å; G33-I37 WeakPolarHBondContact O-CG1 3.32Å; G33-I37 PolarHBondContact O-N 3.44Å; A34-I37 PolarHBondContact O-N 3.48Å; I37-N39 VanDerWaalsContact C-N 3.31Å; I37-N39 PolarHBondContact O-N 3.32Å; I37-K40 PolarHBondContact O-N 3.41Å; I37-I41 HydrophobicContact CG2-CD1 4.36Å; I37-I41 WeakPolarHBondContact O-CG1 3.24Å; I37-I41 PolarHBondContact O-N 3.1Å
38C92.2Very high82.5Confident0 Ų066.6 Ų66.60%038%0.381CS..Hα-helixtrans-66.2-28.9-174.1-62.90000113.9A34 K40 R49 C52 Q53A34-C38 WeakPolarHBondContact O-CB 3.41Å; A34-C38 PolarHBondContact O-N 3.45Å; A34-C38 PolarHBondContact O-SG 3.44Å; C38-K40 VanDerWaalsContact C-N 3.33Å; C38-R49 HydrophobicContact CB-CG 4.34Å; C38-R49 PolarHBondContact O-NE 2.72Å; C38-C52 HydrophobicContact CB-CB 3.76Å; C38-C52 WeakPolarHBondContact CB-SG 3.04Å; C38-C52 WeakPolarHBondContact SG-CB 3.41Å; C38-C52 PolarHBondContact SG-O 3.44Å; C38-C52 VanDerWaalsContact SG-O 3.37Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 3.11Å; C38-Q53 HydrophobicContact CB-CG 3.96Å; C38-Q53 PolarHBondContact SG-N 2.92Å; C38-Q53 VanDerWaalsContact SG-N 3.45Å
39N90.9Very high84.3Confident96 Ų9666.2 Ų66.251%0.51337%0.369SS..Hα-helixtrans-71.7-28.2174.6-74-21.7000112.5N35 I37 R49N35-N39 VanDerWaalsContact O-CB 3.24Å; N35-N39 WeakPolarHBondContact O-CB 3.42Å; N35-N39 PolarHBondContact O-N 3.38Å; N35-N39 VanDerWaalsContact O-N 3.09Å; N35-N39 PolarHBondContact O-ND2 3.09Å; N35-N39 VanDerWaalsContact O-ND2 3.1Å; I37-N39 VanDerWaalsContact C-N 3.31Å; I37-N39 PolarHBondContact O-N 3.32Å; N39-R49 VanDerWaalsContact OD1-CD 3.3Å; N39-R49 WeakPolarHBondContact OD1-CD 3.02Å
40K89.5Confident86Confident166 Ų16663.9 Ų63.972%0.72236%0.361SS*.Hα-helixtrans-85.2-14.8-179.6-72.8-176.5178.9-173.70114.1I36 I37 C38 P42I36-K40 HydrophobicContact CG2-CD 4.48Å; I36-K40 WeakPolarHBondContact O-CG 3.27Å; I36-K40 PolarHBondContact O-N 3.19Å; I37-K40 PolarHBondContact O-N 3.41Å; C38-K40 VanDerWaalsContact C-N 3.33Å; K40-P42 VanDerWaalsContact O-CD 3.25Å; K40-P42 WeakPolarHBondContact O-CD 3.19Å
41I90.1Very high87.6Confident33 Ų3359.9 Ų59.917%0.16934%0.336CS..SBendtrans-72115.6179.2-61.3171.2000109.7I37 L44 I59 F93I37-I41 HydrophobicContact CG2-CD1 4.36Å; I37-I41 WeakPolarHBondContact O-CG1 3.24Å; I37-I41 PolarHBondContact O-N 3.1Å; I41-L44 HydrophobicContact CB-CD1 3.71Å; I41-L44 HydrophobicContact CB-CG 4.05Å; I41-L44 HydrophobicContact CD1-CD1 4.05Å; I41-L44 HydrophobicContact CG1-CD1 4.45Å; I41-L44 HydrophobicContact CG2-CD1 3.8Å; I41-L44 HydrophobicContact CG2-CD2 4.37Å; I41-L44 HydrophobicContact CG2-CG 3.69Å; I41-I59 HydrophobicContact CD1-CG1 3.67Å; I41-I59 HydrophobicContact CD1-CG2 4.29Å; I41-F93 HydrophobicContact CG2-CD2 3.62Å; I41-F93 HydrophobicContact CG2-CE2 3.82Å
42P89.6Confident89.3Confident81 Ų8157.9 Ų57.953%0.52632%0.319SS..THydrogen-bonded Turntrans-69.8142.1-179.928.8-33.7000111.2K40 L44 T91K40-P42 VanDerWaalsContact O-CD 3.25Å; K40-P42 WeakPolarHBondContact O-CD 3.19Å; P42-L44 PolarHBondContact O-N 3.33Å; P42-T91 WeakPolarHBondContact O-CB 3.24Å; P42-T91 PolarHBondContact O-OG1 2.92Å
43G89.4Confident90.7Very high39 Ų3955.5 Ų55.540%0.40231%0.305SS..THydrogen-bonded Turntrans86.9-8174.300000116.2A45G43-A45 PolarHBondContact O-N 3.06Å
44L92.3Very high91.3Very high7 Ų757.3 Ų57.34%0.03731%0.312CS..  trans-66.5125.8175.5-69.3-176.8000111.6I41 P42 Q48 R49 C52 I59 F93 F166I41-L44 HydrophobicContact CB-CD1 3.71Å; I41-L44 HydrophobicContact CB-CG 4.05Å; I41-L44 HydrophobicContact CD1-CD1 4.05Å; I41-L44 HydrophobicContact CG1-CD1 4.45Å; I41-L44 HydrophobicContact CG2-CD1 3.8Å; I41-L44 HydrophobicContact CG2-CD2 4.37Å; I41-L44 HydrophobicContact CG2-CG 3.69Å; P42-L44 PolarHBondContact O-N 3.33Å; L44-Q48 HydrophobicContact CB-CB 4.47Å; L44-Q48 HydrophobicContact CD2-CB 4.12Å; L44-R49 HydrophobicContact CB-CB 4.44Å; L44-R49 PolarHBondContact O-NH1 3.38Å; L44-R49 PolarHBondContact O-NH2 3.2Å; L44-C52 HydrophobicContact CD1-CB 4.31Å; L44-I59 HydrophobicContact CD1-CD1 4.48Å; L44-I59 HydrophobicContact CD2-CD1 4.32Å; L44-F93 HydrophobicContact CD2-CB 3.88Å; L44-F93 HydrophobicContact CD2-CD1 4.33Å; L44-F93 HydrophobicContact CD2-CD2 3.69Å; L44-F93 HydrophobicContact CD2-CE2 4.3Å; L44-F93 HydrophobicContact CD2-CG 3.7Å; L44-F93 HydrophobicContact CG-CD2 4.32Å; L44-F166 HydrophobicContact CD2-CE2 4.3Å; L44-F166 HydrophobicContact CD2-CZ 3.7Å
45A92.7Very high91.8Very high18 Ų1858.1 Ų58.115%0.14931%0.314CS..  trans-65.2154169.700000110.7G43 R47 Q48 R49 R170G43-A45 PolarHBondContact O-N 3.06Å; A45-R47 VanDerWaalsContact C-N 3.26Å; A45-R47 PolarHBondContact O-N 3.21Å; A45-R47 VanDerWaalsContact O-N 3.14Å; A45-Q48 HydrophobicContact CB-CB 4.39Å; A45-Q48 HydrophobicContact CB-CG 4.19Å; A45-Q48 WeakPolarHBondContact O-CA 3.31Å; A45-Q48 WeakPolarHBondContact O-CB 3.34Å; A45-Q48 PolarHBondContact O-N 3.09Å; A45-R49 PolarHBondContact O-N 1.98Å; A45-R170 HydrophobicContact CB-CB 3.92Å
46P93Very high92.2Very high94 Ų9457 Ų5761%0.6131%0.311SS*.Hα-helixtrans-51.9-40.8-178.7-29.435.9000114.3R49 A50P46-R49 PolarHBondContact O-N 3.39Å; P46-A50 PolarHBondContact O-N 3.14Å; P46-A50 VanDerWaalsContact O-N 3.11Å
47R94.6Very high92.4Very high153 Ų15355.1 Ų55.158%0.57730%0.301SS*.Hα-helixtrans-70.3-37.6176.6-69.4-176.2175.5-175.7-2.9113.1A45 R49 A50 I51 A169A45-R47 VanDerWaalsContact C-N 3.26Å; A45-R47 PolarHBondContact O-N 3.21Å; A45-R47 VanDerWaalsContact O-N 3.14Å; R47-R49 VanDerWaalsContact C-N 3.31Å; R47-A50 PolarHBondContact O-N 3.14Å; R47-I51 WeakPolarHBondContact O-CG1 3.38Å; R47-I51 PolarHBondContact O-N 3.06Å; R47-I51 VanDerWaalsContact O-N 3.14Å; R47-A169 HydrophobicContact CB-CB 3.79Å
48Q95.4Very high92.8Very high6 Ų650.7 Ų50.73%0.02828%0.279CS..Hα-helixtrans-64.9-38.4173.9-69.7176.8-44.300111.5L44 A45 I51 C52 F166 A169L44-Q48 HydrophobicContact CB-CB 4.47Å; L44-Q48 HydrophobicContact CD2-CB 4.12Å; A45-Q48 HydrophobicContact CB-CB 4.39Å; A45-Q48 HydrophobicContact CB-CG 4.19Å; A45-Q48 WeakPolarHBondContact O-CA 3.31Å; A45-Q48 WeakPolarHBondContact O-CB 3.34Å; A45-Q48 PolarHBondContact O-N 3.09Å; Q48-I51 WeakPolarHBondContact O-CB 3.03Å; Q48-I51 PolarHBondContact O-N 2.69Å; Q48-C52 PolarHBondContact O-N 3.26Å; Q48-F166 HydrophobicContact CB-CD2 4.31Å; Q48-F166 HydrophobicContact CB-CE2 3.78Å; Q48-F166 HydrophobicContact CB-CZ 4.05Å; Q48-F166 HydrophobicContact CG-CD2 4.34Å; Q48-F166 HydrophobicContact CG-CE1 4.43Å; Q48-F166 HydrophobicContact CG-CE2 4.13Å; Q48-F166 HydrophobicContact CG-CZ 4.18Å; Q48-F166 VanDerWaalsContact CG-O 3.31Å; Q48-F166 WeakPolarHBondContact CG-O 3.21Å; Q48-F166 PolarHBondContact NE2-O 2.93Å; Q48-F166 VanDerWaalsContact NE2-O 3.09Å; Q48-A169 HydrophobicContact CG-CB 3.85Å
49R94.9Very high92.9Very high58 Ų5851.1 Ų51.122%0.21928%0.281CS..Hα-helixtrans-63.3-42.6176.2-172.2173.6-70.8104.45.7112C38 N39 L44 A45 P46 R47 I51 C52 Q53C38-R49 HydrophobicContact CB-CG 4.34Å; C38-R49 PolarHBondContact O-NE 2.72Å; N39-R49 VanDerWaalsContact OD1-CD 3.3Å; N39-R49 WeakPolarHBondContact OD1-CD 3.02Å; L44-R49 HydrophobicContact CB-CB 4.44Å; L44-R49 PolarHBondContact O-NH1 3.38Å; L44-R49 PolarHBondContact O-NH2 3.2Å; A45-R49 PolarHBondContact O-N 1.98Å; P46-R49 PolarHBondContact O-N 3.39Å; R47-R49 VanDerWaalsContact C-N 3.31Å; R49-I51 VanDerWaalsContact C-N 3.3Å; R49-I51 PolarHBondContact O-N 2.99Å; R49-C52 WeakPolarHBondContact O-CB 3Å; R49-C52 PolarHBondContact O-N 2.89Å; R49-Q53 WeakPolarHBondContact O-CG 3.2Å; R49-Q53 PolarHBondContact O-N 3.18Å
50A94.6Very high92.9Very high52 Ų5251.9 Ų51.943%0.4328%0.284SS..Hα-helixtrans-61.1-38.717300000112.3P46 R47 Q53 S54P46-A50 PolarHBondContact O-N 3.14Å; P46-A50 VanDerWaalsContact O-N 3.11Å; R47-A50 PolarHBondContact O-N 3.14Å; A50-Q53 PolarHBondContact O-N 3.43Å; A50-S54 PolarHBondContact O-N 3.45Å; A50-S54 VanDerWaalsContact O-N 3.09Å
51I95Very high93.3Very high15 Ų1544.5 Ų44.58%0.07725%0.253CS..Hα-helixtrans-64.5-46.3174.5-64.2161.3000110.6R47 Q48 R49 Q53 S54 R55 R165 F166 A169R47-I51 WeakPolarHBondContact O-CG1 3.38Å; R47-I51 PolarHBondContact O-N 3.06Å; R47-I51 VanDerWaalsContact O-N 3.14Å; Q48-I51 WeakPolarHBondContact O-CB 3.03Å; Q48-I51 PolarHBondContact O-N 2.69Å; R49-I51 VanDerWaalsContact C-N 3.3Å; R49-I51 PolarHBondContact O-N 2.99Å; I51-Q53 VanDerWaalsContact C-N 3.31Å; I51-Q53 PolarHBondContact O-N 2.03Å; I51-S54 PolarHBondContact O-N 2.03Å; I51-S54 VanDerWaalsContact O-N 3.12Å; I51-S54 PolarHBondContact O-OG 2.88Å; I51-R55 PolarHBondContact O-N 3.2Å; I51-R165 HydrophobicContact CD1-CG 3.86Å; I51-R165 WeakPolarHBondContact CD1-O 3.3Å; I51-R165 HydrophobicContact CG1-CG 4.39Å; I51-F166 HydrophobicContact CB-CD2 4.27Å; I51-F166 HydrophobicContact CD1-CD2 4.48Å; I51-F166 HydrophobicContact CG2-CD2 4.01Å; I51-A169 HydrophobicContact CD1-CB 3.97Å
52C94.9Very high93.6Very high2 Ų243 Ų431%0.01425%0.245CC..Hα-helixtrans-55.9-44.4175.3179.20000111.6C38 L44 Q48 R49 S54 R55 P56 I59C38-C52 HydrophobicContact CB-CB 3.76Å; C38-C52 WeakPolarHBondContact CB-SG 3.04Å; C38-C52 WeakPolarHBondContact SG-CB 3.41Å; C38-C52 PolarHBondContact SG-O 3.44Å; C38-C52 VanDerWaalsContact SG-O 3.37Å; C38-C52 CovalentContact SG-SG 2.03Å; C38-C52 PolarHBondContact SG-SG 3.11Å; L44-C52 HydrophobicContact CD1-CB 4.31Å; Q48-C52 PolarHBondContact O-N 3.26Å; R49-C52 WeakPolarHBondContact O-CB 3Å; R49-C52 PolarHBondContact O-N 2.89Å; C52-S54 VanDerWaalsContact C-N 3.3Å; C52-S54 PolarHBondContact O-N 3.37Å; C52-R55 CarbonylContact O-C 3.08Å; C52-R55 PolarHBondContact O-N 3.44Å; C52-P56 WeakPolarHBondContact O-CA 3.43Å; C52-P56 WeakPolarHBondContact O-CD 3.25Å; C52-I59 HydrophobicContact CB-CD1 4.35Å; C52-I59 HydrophobicContact CB-CG1 4.43Å
53Q94.2Very high93.8Very high67 Ų6739.9 Ų39.931%0.31323%0.227SC..Hα-helixtrans-63.2-37.1178-70.3167.7-18.300112.2N35 C38 R49 A50 I51N35-Q53 VanDerWaalsContact OD1-CG 3.27Å; N35-Q53 WeakPolarHBondContact OD1-CG 3.06Å; N35-Q53 PolarHBondContact OD1-NE2 3.24Å; C38-Q53 HydrophobicContact CB-CG 3.96Å; C38-Q53 PolarHBondContact SG-N 2.92Å; C38-Q53 VanDerWaalsContact SG-N 3.45Å; R49-Q53 WeakPolarHBondContact O-CG 3.2Å; R49-Q53 PolarHBondContact O-N 3.18Å; A50-Q53 PolarHBondContact O-N 3.43Å; I51-Q53 VanDerWaalsContact C-N 3.31Å; I51-Q53 PolarHBondContact O-N 2.03Å
54S92.6Very high94.1Very high66 Ų6643.5 Ų43.546%0.46223%0.234SC..Hα-helixtrans-74.9-25.8175.872.80000114A50 I51 C52 R165A50-S54 PolarHBondContact O-N 3.45Å; A50-S54 VanDerWaalsContact O-N 3.09Å; I51-S54 PolarHBondContact O-N 2.03Å; I51-S54 VanDerWaalsContact O-N 3.12Å; I51-S54 PolarHBondContact O-OG 2.88Å; C52-S54 VanDerWaalsContact C-N 3.3Å; C52-S54 PolarHBondContact O-N 3.37Å; S54-R165 PolarHBondContact OG-NH2 3.15Å
55R93.1Very high94.3Very high23 Ų2343.2 Ų43.29%0.08723%0.232CC..  trans-143.367.3-172.9-70.2-60.1-54-88.5-2.2110.2I51 C52 D57 A58 S129 Y158 F162I51-R55 PolarHBondContact O-N 3.2Å; C52-R55 CarbonylContact O-C 3.08Å; C52-R55 PolarHBondContact O-N 3.44Å; R55-D57 VanDerWaalsContact C-N 3.26Å; R55-D57 IonicContact CZ-OD1 3.79Å; R55-D57 IonicContact CZ-OD2 3.81Å; R55-D57 IonicContact NE-OD1 3.06Å; R55-D57 PolarHBondContact NE-OD1 3.2Å; R55-D57 IonicContact NE-OD2 3.73Å; R55-D57 IonicContact NH2-OD1 3.57Å; R55-D57 IonicContact NH2-OD2 2.99Å; R55-D57 PolarHBondContact NH2-OD2 3.46Å; R55-D57 PolarHBondContact O-N 2.88Å; R55-A58 HydrophobicContact CB-CB 3.96Å; R55-A58 PolarHBondContact O-N 3.07Å; R55-S129 PolarHBondContact NH2-O 3.27Å; R55-Y158 PolarHBondContact NH1-OH 3.22Å; R55-Y158 VanDerWaalsContact NH1-OH 3.14Å; R55-F162 HydrophobicContact CB-CZ 4.37Å; R55-F162 HydrophobicContact CG-CE2 4.48Å
56P92.3Very high94.5Very high39 Ų3942.6 Ų42.625%0.25323%0.227SC..Hα-helixtrans-70.8-24.1-176.529-36.7000112.2A34 C52 A58 I59A34-P56 HydrophobicContact CB-CB 3.84Å; A34-P56 HydrophobicContact CB-CG 3.82Å; C52-P56 WeakPolarHBondContact O-CA 3.43Å; C52-P56 WeakPolarHBondContact O-CD 3.25Å; P56-A58 VanDerWaalsContact C-N 3.33Å; P56-I59 WeakPolarHBondContact O-CG2 3.49Å
57D92.2Very high94.6Very high48 Ų4841.4 Ų41.426%0.25721%0.213SC..Hα-helixtrans-63.5-39.1171.262.9-38.4000111.8R55 I59 L128 S129R55-D57 VanDerWaalsContact C-N 3.26Å; R55-D57 IonicContact CZ-OD1 3.79Å; R55-D57 IonicContact CZ-OD2 3.81Å; R55-D57 IonicContact NE-OD1 3.06Å; R55-D57 PolarHBondContact NE-OD1 3.2Å; R55-D57 IonicContact NE-OD2 3.73Å; R55-D57 IonicContact NH2-OD1 3.57Å; R55-D57 IonicContact NH2-OD2 2.99Å; R55-D57 PolarHBondContact NH2-OD2 3.46Å; R55-D57 PolarHBondContact O-N 2.88Å; D57-I59 VanDerWaalsContact C-N 3.35Å; D57-I59 PolarHBondContact O-N 3.29Å; D57-L128 HydrophobicContact CB-CD1 4.23Å; D57-L128 VanDerWaalsContact OD2-CD1 3.24Å; D57-L128 WeakPolarHBondContact OD2-CD1 3.3Å; D57-S129 WeakPolarHBondContact OD2-CB 3.31Å; D57-S129 PolarHBondContact OD2-N 3.06Å; D57-S129 PolarHBondContact OD2-OG 3.12Å
58A95.3Very high94.7Very high1 Ų137 Ų371%0.00820%0.2CC..Hα-helixtrans-70.3-28.3-177.900000113.1R55 P56 I60 V61 I62 L128 F162R55-A58 HydrophobicContact CB-CB 3.96Å; R55-A58 PolarHBondContact O-N 3.07Å; P56-A58 VanDerWaalsContact C-N 3.33Å; A58-I60 PolarHBondContact O-N 3.39Å; A58-V61 PolarHBondContact O-N 2.96Å; A58-I62 HydrophobicContact CB-CD1 4.22Å; A58-I62 WeakPolarHBondContact O-CD1 3.08Å; A58-I62 WeakPolarHBondContact O-CG1 3.17Å; A58-I62 PolarHBondContact O-N 3.42Å; A58-L128 HydrophobicContact CB-CD1 3.94Å; A58-F162 HydrophobicContact CB-CE1 3.98Å; A58-F162 HydrophobicContact CB-CE2 4.17Å; A58-F162 HydrophobicContact CB-CZ 3.41Å; A58-F162 VanDerWaalsContact CB-CZ 3.41Å
59I94.2Very high94.8Very high10 Ų1036.8 Ų36.85%0.05120%0.199CC..Hα-helixtrans-63-30.4-174.4-161.958000113I41 L44 C52 P56 D57 I62 G63 F93 F166I41-I59 HydrophobicContact CD1-CG1 3.67Å; I41-I59 HydrophobicContact CD1-CG2 4.29Å; L44-I59 HydrophobicContact CD1-CD1 4.48Å; L44-I59 HydrophobicContact CD2-CD1 4.32Å; C52-I59 HydrophobicContact CB-CD1 4.35Å; C52-I59 HydrophobicContact CB-CG1 4.43Å; P56-I59 WeakPolarHBondContact O-CG2 3.49Å; D57-I59 VanDerWaalsContact C-N 3.35Å; D57-I59 PolarHBondContact O-N 3.29Å; I59-I62 HydrophobicContact CD1-CD1 4.23Å; I59-G63 PolarHBondContact O-N 3.44Å; I59-F93 HydrophobicContact CD1-CE1 4.45Å; I59-F93 HydrophobicContact CD1-CE2 4.14Å; I59-F93 HydrophobicContact CD1-CZ 3.85Å; I59-F93 HydrophobicContact CG1-CE2 4.43Å; I59-F93 HydrophobicContact CG1-CZ 4.34Å; I59-F166 HydrophobicContact CD1-CE2 3.72Å; I59-F166 HydrophobicContact CD1-CZ 3.67Å
60I91.9Very high94.8Very high111 Ų11134.2 Ų34.257%0.56919%0.19SC*.Hα-helixtrans-65.6-52.3176.4-59.9175.6000109.1A58 I62 G63 E64A58-I60 PolarHBondContact O-N 3.39Å; I60-I62 VanDerWaalsContact C-N 3.33Å; I60-I62 PolarHBondContact O-N 3.06Å; I60-G63 WeakPolarHBondContact O-CA 3.46Å; I60-G63 PolarHBondContact O-N 2.8Å; I60-G63 VanDerWaalsContact O-N 3.07Å; I60-E64 WeakPolarHBondContact O-CG 3.34Å; I60-E64 PolarHBondContact O-N 3Å
61V96.7Very high94.9Very high11 Ų1135.6 Ų35.67%0.06719%0.19CC..Hα-helixtrans-61.2-40.2178.1-179.90000111.8A58 G63 E64 G65 A118 V119 A122 L128A58-V61 PolarHBondContact O-N 2.96Å; V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 3.46Å; V61-E64 PolarHBondContact O-N 3.2Å; V61-G65 PolarHBondContact O-N 3.35Å; V61-A118 HydrophobicContact CG1-CB 4.06Å; V61-A118 WeakPolarHBondContact CG1-O 3.25Å; V61-V119 HydrophobicContact CG1-CG2 4.1Å; V61-A122 HydrophobicContact CB-CB 4.45Å; V61-A122 HydrophobicContact CG1-CB 3.66Å; V61-A122 HydrophobicContact CG2-CB 3.88Å; V61-L128 HydrophobicContact CG2-CD1 4.24Å
62I96.2Very high95Very high2 Ų235.3 Ų35.31%0.0119%0.188CC..Hα-helixtrans-63.6-41.5175.4-62.1162000110.3A58 I59 I60 G65 A66 F93 V115 V119 F162 F166A58-I62 HydrophobicContact CB-CD1 4.22Å; A58-I62 WeakPolarHBondContact O-CD1 3.08Å; A58-I62 WeakPolarHBondContact O-CG1 3.17Å; A58-I62 PolarHBondContact O-N 3.42Å; I59-I62 HydrophobicContact CD1-CD1 4.23Å; I60-I62 VanDerWaalsContact C-N 3.33Å; I60-I62 PolarHBondContact O-N 3.06Å; I62-G65 PolarHBondContact O-N 3.01Å; I62-A66 WeakPolarHBondContact O-CB 3.41Å; I62-A66 PolarHBondContact O-N 3.31Å; I62-F93 HydrophobicContact CG2-CE1 3.83Å; I62-F93 HydrophobicContact CG2-CZ 4.47Å; I62-V115 HydrophobicContact CB-CG1 4.48Å; I62-V115 HydrophobicContact CG1-CG1 4.28Å; I62-V115 HydrophobicContact CG2-CG1 3.98Å; I62-V115 HydrophobicContact CG2-CG2 3.95Å; I62-V119 HydrophobicContact CG1-CG2 4.47Å; I62-F162 HydrophobicContact CD1-CD1 4.44Å; I62-F162 HydrophobicContact CD1-CE1 3.56Å; I62-F162 HydrophobicContact CD1-CZ 4.36Å; I62-F162 HydrophobicContact CG1-CE1 4.03Å; I62-F166 HydrophobicContact CD1-CB 4.4Å; I62-F166 HydrophobicContact CD1-CD1 4.25Å; I62-F166 HydrophobicContact CD1-CD2 3.72Å; I62-F166 HydrophobicContact CD1-CE2 3.98Å; I62-F166 HydrophobicContact CD1-CG 3.85Å; I62-F166 HydrophobicContact CD1-CZ 4.36Å; I62-F166 HydrophobicContact CG2-CD1 3.51Å; I62-F166 HydrophobicContact CG2-CE1 3.38Å; I62-F166 HydrophobicContact CG2-CG 4.19Å; I62-F166 HydrophobicContact CG2-CZ 3.94Å
63G94.3Very high95.1Very high15 Ų1535.2 Ų35.216%0.15519%0.188CC..Hα-helixtrans-61.7-44.517600000112.2I59 I60 V61 A66 Q67I59-G63 PolarHBondContact O-N 3.44Å; I60-G63 WeakPolarHBondContact O-CA 3.46Å; I60-G63 PolarHBondContact O-N 2.8Å; I60-G63 VanDerWaalsContact O-N 3.07Å; V61-G63 VanDerWaalsContact C-N 3.33Å; V61-G63 PolarHBondContact O-N 3.46Å; G63-A66 PolarHBondContact O-N 3.46Å; G63-Q67 WeakPolarHBondContact O-CB 3.44Å; G63-Q67 PolarHBondContact O-N 3.08Å
64E95.2Very high95.1Very high116 Ų11635.4 Ų35.454%0.54219%0.189SC..Hα-helixtrans-60.3-44.2173.5-69.9173.9179.900111.8I60 V61 Q67 M68I60-E64 WeakPolarHBondContact O-CG 3.34Å; I60-E64 PolarHBondContact O-N 3Å; V61-E64 PolarHBondContact O-N 3.2Å; E64-Q67 PolarHBondContact O-N 2.92Å; E64-M68 VanDerWaalsContact O-CB 3.31Å; E64-M68 WeakPolarHBondContact O-CB 3.4Å; E64-M68 PolarHBondContact O-N 2.76Å
65G97.8Very high95.4Very high0 Ų035.3 Ų35.30%018%0.179CC..Hα-helixtrans-65.5-39.7176.500000113.6V61 I62 M68 G69 G114 A118V61-G65 PolarHBondContact O-N 3.35Å; I62-G65 PolarHBondContact O-N 3.01Å; G65-M68 WeakPolarHBondContact O-CB 3.14Å; G65-M68 PolarHBondContact O-N 2.87Å; G65-G69 PolarHBondContact O-N 3.2Å; G65-G114 VanDerWaalsContact CA-O 3.29Å; G65-G114 WeakPolarHBondContact CA-O 3.25Å; G65-G114 CarbonylContact O-C 3.52Å; G65-G114 WeakPolarHBondContact O-CA 3.36Å; G65-A118 VanDerWaalsContact CA-CB 3.45Å
66A95.9Very high95.6Very high5 Ų535.2 Ų35.24%0.04118%0.179CC..Hα-helixtrans-64.6-43.7173.900000111.2I62 G63 G69 I70 V92 F93 V115I62-A66 WeakPolarHBondContact O-CB 3.41Å; I62-A66 PolarHBondContact O-N 3.31Å; G63-A66 PolarHBondContact O-N 3.46Å; A66-G69 PolarHBondContact O-N 2.9Å; A66-I70 WeakPolarHBondContact O-CG1 2.73Å; A66-I70 PolarHBondContact O-N 2.81Å; A66-V92 HydrophobicContact CB-CB 4.17Å; A66-F93 HydrophobicContact CB-CE1 4.36Å; A66-V115 HydrophobicContact CB-CG2 4.45Å
67Q95Very high95.7Very high69 Ų6933.6 Ų33.632%0.32217%0.168SC..Hα-helixtrans-65-40176.3-171.661.149.900111.8G63 E64 G69 I70 N71 V92G63-Q67 WeakPolarHBondContact O-CB 3.44Å; G63-Q67 PolarHBondContact O-N 3.08Å; E64-Q67 PolarHBondContact O-N 2.92Å; Q67-G69 VanDerWaalsContact C-N 3.28Å; Q67-G69 PolarHBondContact O-N 3.41Å; Q67-I70 PolarHBondContact O-N 2.95Å; Q67-N71 PolarHBondContact NE2-OD1 3.16Å; Q67-N71 WeakPolarHBondContact O-CB 3.1Å; Q67-N71 PolarHBondContact O-N 3.48Å; Q67-N71 PolarHBondContact O-OD1 2.76Å; Q67-V92 HydrophobicContact CB-CG1 4.48Å
68M97.3Very high95.7Very high62 Ų6235.9 Ų35.931%0.30517%0.173SC..Hα-helixtrans-57.6-44173.1-172.2-168.6-60.700110.9E64 G65 N71 E72 F221E64-M68 VanDerWaalsContact O-CB 3.31Å; E64-M68 WeakPolarHBondContact O-CB 3.4Å; E64-M68 PolarHBondContact O-N 2.76Å; G65-M68 WeakPolarHBondContact O-CB 3.14Å; G65-M68 PolarHBondContact O-N 2.87Å; M68-N71 PolarHBondContact O-N 3.34Å; M68-E72 WeakPolarHBondContact O-CB 3.32Å; M68-E72 PolarHBondContact O-N 2.98Å; M68-F221 HydrophobicContact CG-CB 4.44Å; M68-F221 HydrophobicContact CG-CD1 3.53Å; M68-F221 HydrophobicContact CG-CE1 3.85Å; M68-F221 HydrophobicContact CG-CG 3.95Å; M68-F221 HydrophobicContact SD-CB 3.75Å; M68-F221 HydrophobicContact SD-CD1 3.72Å; M68-F221 HydrophobicContact SD-CD2 3.82Å; M68-F221 HydrophobicContact SD-CE1 4.24Å; M68-F221 HydrophobicContact SD-CE2 4.36Å; M68-F221 HydrophobicContact SD-CG 3.46Å; M68-F221 WeakPolarHBondContact SD-CG 3.36Å
69G97.1Very high95.6Very high0 Ų042.5 Ų42.50%020%0.199CC..Hα-helixtrans-60.1-44.4173.600000113.6G65 A66 Q67 E72 C73G65-G69 PolarHBondContact O-N 3.2Å; A66-G69 PolarHBondContact O-N 2.9Å; Q67-G69 VanDerWaalsContact C-N 3.28Å; Q67-G69 PolarHBondContact O-N 3.41Å; G69-E72 PolarHBondContact O-N 3.14Å; G69-C73 VanDerWaalsContact O-CB 3.28Å; G69-C73 WeakPolarHBondContact O-CB 3.46Å; G69-C73 PolarHBondContact O-N 3.23Å
70I94.8Very high95.5Very high5 Ų542.7 Ų42.73%0.02620%0.203CC..Hα-helixtrans-64.4-47177.2-69.4161.6000111.1A66 Q67 E72 C73 Q74 L87 V92A66-I70 WeakPolarHBondContact O-CG1 2.73Å; A66-I70 PolarHBondContact O-N 2.81Å; Q67-I70 PolarHBondContact O-N 2.95Å; I70-E72 VanDerWaalsContact C-N 3.29Å; I70-E72 PolarHBondContact O-N 3.04Å; I70-C73 WeakPolarHBondContact O-CB 3.47Å; I70-C73 PolarHBondContact O-N 3.21Å; I70-C73 VanDerWaalsContact O-N 3.15Å; I70-Q74 HydrophobicContact CG2-CG 4.45Å; I70-Q74 WeakPolarHBondContact O-CG 3.36Å; I70-Q74 PolarHBondContact O-N 3.42Å; I70-L87 HydrophobicContact CD1-CB 4.48Å; I70-L87 HydrophobicContact CG1-CB 4.1Å; I70-L87 HydrophobicContact CG2-CB 4.23Å; I70-V92 HydrophobicContact CD1-CB 4.28Å; I70-V92 HydrophobicContact CD1-CG1 4.09Å
71N96.2Very high95.6Very high80 Ų8040.5 Ų40.543%0.42819%0.188SC..Hα-helixtrans-60.5-42.1179.2-69.5-9.3000111.2Q67 M68 Q74 Y75Q67-N71 PolarHBondContact NE2-OD1 3.16Å; Q67-N71 WeakPolarHBondContact O-CB 3.1Å; Q67-N71 PolarHBondContact O-N 3.48Å; Q67-N71 PolarHBondContact O-OD1 2.76Å; M68-N71 PolarHBondContact O-N 3.34Å; N71-Q74 PolarHBondContact O-N 2.87Å; N71-Y75 WeakPolarHBondContact O-CB 3.48Å; N71-Y75 PolarHBondContact O-N 3.34Å
72E98.1Very high95.4Very high9 Ų940.4 Ų40.44%0.04219%0.187CC..Hα-helixtrans-68.5-37.8176.8-171.153.7-142.300111.6M68 G69 I70 Y75 Q76 I110 F221 R222M68-E72 WeakPolarHBondContact O-CB 3.32Å; M68-E72 PolarHBondContact O-N 2.98Å; G69-E72 PolarHBondContact O-N 3.14Å; I70-E72 VanDerWaalsContact C-N 3.29Å; I70-E72 PolarHBondContact O-N 3.04Å; E72-Y75 WeakPolarHBondContact O-CB 3.43Å; E72-Y75 PolarHBondContact O-N 3.21Å; E72-Q76 HydrophobicContact CG-CG 4.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.45Å; E72-Q76 PolarHBondContact O-N 3.31Å; E72-Q76 WeakPolarHBondContact OE1-CG 3.5Å; E72-Q76 PolarHBondContact OE1-NE2 3.42Å; E72-I110 HydrophobicContact CB-CD1 4.36Å; E72-I110 HydrophobicContact CB-CG1 4.29Å; E72-I110 HydrophobicContact CG-CD1 4.02Å; E72-I110 HydrophobicContact CG-CG1 4.42Å; E72-F221 HydrophobicContact CB-CD1 3.88Å; E72-F221 HydrophobicContact CB-CE1 3.66Å; E72-F221 HydrophobicContact CG-CD1 4.06Å; E72-F221 HydrophobicContact CG-CE1 4.04Å; E72-R222 WeakPolarHBondContact OE1-CD 3.42Å; E72-R222 IonicContact OE1-NE 3.9Å; E72-R222 PolarHBondContact OE1-NE 3.24Å; E72-R222 IonicContact OE2-CZ 2.67Å; E72-R222 IonicContact OE2-NE 3.28Å; E72-R222 PolarHBondContact OE2-NE 3.41Å; E72-R222 IonicContact OE2-NH2 3.27Å
73C96.4Very high95.2Very high1 Ų142 Ų421%0.00720%0.195CC..Hα-helixtrans-60.4-48.1173179.90000112.3G69 I70 Y75 Q76 F77 W82 C84 F106 I110G69-C73 VanDerWaalsContact O-CB 3.28Å; G69-C73 WeakPolarHBondContact O-CB 3.46Å; G69-C73 PolarHBondContact O-N 3.23Å; I70-C73 WeakPolarHBondContact O-CB 3.47Å; I70-C73 PolarHBondContact O-N 3.21Å; I70-C73 VanDerWaalsContact O-N 3.15Å; C73-Y75 VanDerWaalsContact C-N 3.26Å; C73-Y75 PolarHBondContact O-N 3.17Å; C73-Q76 PolarHBondContact O-N 3.39Å; C73-F77 WeakPolarHBondContact O-CB 3.14Å; C73-F77 WeakPolarHBondContact O-CD2 3.41Å; C73-F77 PolarHBondContact O-N 2.89Å; C73-W82 VanDerWaalsContact SG-CH2 3.53Å; C73-C84 HydrophobicContact CB-CB 3.93Å; C73-C84 WeakPolarHBondContact CB-SG 3.22Å; C73-C84 WeakPolarHBondContact SG-CB 3.46Å; C73-C84 CovalentContact SG-SG 2.03Å; C73-C84 PolarHBondContact SG-SG 2.89Å; C73-F106 HydrophobicContact CB-CD1 4.46Å; C73-F106 HydrophobicContact CB-CE1 3.93Å; C73-I110 HydrophobicContact CB-CG2 4.2Å
74Q95.4Very high95.1Very high71 Ų7141.2 Ų41.233%0.33219%0.187SC..Hα-helixtrans-59.3-40.5174.1-69.9173.3-8.700111.3I70 N71 F77 R78 C84I70-Q74 HydrophobicContact CG2-CG 4.45Å; I70-Q74 WeakPolarHBondContact O-CG 3.36Å; I70-Q74 PolarHBondContact O-N 3.42Å; N71-Q74 PolarHBondContact O-N 2.87Å; Q74-F77 PolarHBondContact O-N 3.37Å; Q74-R78 WeakPolarHBondContact O-CA 3.35Å; Q74-R78 WeakPolarHBondContact O-CB 3.23Å; Q74-R78 PolarHBondContact O-N 3.49Å; Q74-C84 HydrophobicContact CG-CB 3.9Å
75Y97.1Very high94.7Very high63 Ų6337.4 Ų37.425%0.24717%0.174CC..Hα-helixtrans-60.9-52175.2-177.7-92.3000112N71 E72 C73 F77 R78 R222 Y226N71-Y75 WeakPolarHBondContact O-CB 3.48Å; N71-Y75 PolarHBondContact O-N 3.34Å; E72-Y75 WeakPolarHBondContact O-CB 3.43Å; E72-Y75 PolarHBondContact O-N 3.21Å; C73-Y75 VanDerWaalsContact C-N 3.26Å; C73-Y75 PolarHBondContact O-N 3.17Å; Y75-F77 PolarHBondContact O-N 2.92Å; Y75-R78 VanDerWaalsContact CE1-NH1 3.3Å; Y75-R78 VanDerWaalsContact CZ-NH1 3.26Å; Y75-R78 WeakPolarHBondContact O-CD 3.5Å; Y75-R78 WeakPolarHBondContact O-CG 3.42Å; Y75-R78 PolarHBondContact O-NH1 2.87Å; Y75-R222 PolarHBondContact OH-NH1 3.26Å; Y75-Y226 HydrophobicContact CE1-CE1 4.28Å; Y75-Y226 PolarHBondContact OH-OH 3.47Å
76Q97.2Very high93.9Very high22 Ų2238 Ų3810%0.10318%0.178CC..Hα-helixtrans-65.6-22.8-177.3-67.6-61.3-29.100113.5E72 C73 F106 K229E72-Q76 HydrophobicContact CG-CG 4.46Å; E72-Q76 WeakPolarHBondContact O-CG 3.45Å; E72-Q76 PolarHBondContact O-N 3.31Å; E72-Q76 WeakPolarHBondContact OE1-CG 3.5Å; E72-Q76 PolarHBondContact OE1-NE2 3.42Å; C73-Q76 PolarHBondContact O-N 3.39Å; Q76-F106 HydrophobicContact CB-CZ 4.12Å; Q76-F106 HydrophobicContact CG-CZ 4.05Å; Q76-K229 HydrophobicContact CB-CD 4.32Å; Q76-K229 HydrophobicContact CG-CB 4.44Å; Q76-K229 WeakPolarHBondContact O-CE 3.46Å
77F95.5Very high93.2Very high5 Ų538.4 Ų38.42%0.02218%0.18CC..Hα-helixtrans-115.56.9-175.2-73.6-92.4000114.6C73 Q74 Y75 Y79 G80 W82 N83 F106 K229 Y232C73-F77 WeakPolarHBondContact O-CB 3.14Å; C73-F77 WeakPolarHBondContact O-CD2 3.41Å; C73-F77 PolarHBondContact O-N 2.89Å; Q74-F77 PolarHBondContact O-N 3.37Å; Y75-F77 PolarHBondContact O-N 2.92Å; F77-Y79 PolarHBondContact O-N 3.26Å; F77-G80 PolarHBondContact O-N 2.82Å; F77-W82 HydrophobicContact CB-CE3 4.32Å; F77-W82 HydrophobicContact CB-CZ3 4.47Å; F77-W82 WeakPolarHBondContact CB-O 3.27Å; F77-W82 AromaticContact CD1-CE3 3.5Å; F77-W82 HydrophobicContact CD1-CE3 3.5Å; F77-W82 AromaticContact CD1-CZ3 3.83Å; F77-W82 HydrophobicContact CD1-CZ3 3.83Å; F77-W82 HydrophobicContact CD2-CE3 4.3Å; F77-W82 AromaticContact CD2-CZ3 3.81Å; F77-W82 HydrophobicContact CD2-CZ3 3.81Å; F77-W82 AromaticContact CE1-CE3 3.71Å; F77-W82 HydrophobicContact CE1-CE3 3.71Å; F77-W82 AromaticContact CE1-CZ3 3.85Å; F77-W82 HydrophobicContact CE1-CZ3 3.85Å; F77-W82 AromaticContact CE2-CZ3 3.88Å; F77-W82 HydrophobicContact CE2-CZ3 3.88Å; F77-W82 AromaticContact CG-CE3 3.8Å; F77-W82 HydrophobicContact CG-CE3 3.8Å; F77-W82 AromaticContact CG-CZ3 3.79Å; F77-W82 HydrophobicContact CG-CZ3 3.79Å; F77-W82 HydrophobicContact CZ-CE3 4.24Å; F77-W82 AromaticContact CZ-CZ3 3.88Å; F77-W82 HydrophobicContact CZ-CZ3 3.88Å; F77-N83 WeakPolarHBondContact O-CA 3.49Å; F77-F106 HydrophobicContact CD2-CD1 4.37Å; F77-F106 HydrophobicContact CD2-CE1 4.27Å; F77-F106 HydrophobicContact CE2-CB 4.37Å; F77-F106 AromaticContact CE2-CD1 3.54Å; F77-F106 HydrophobicContact CE2-CD1 3.54Å; F77-F106 AromaticContact CE2-CD2 3.92Å; F77-F106 HydrophobicContact CE2-CD2 3.92Å; F77-F106 AromaticContact CE2-CE1 3.71Å; F77-F106 HydrophobicContact CE2-CE1 3.71Å; F77-F106 HydrophobicContact CE2-CE2 4.04Å; F77-F106 AromaticContact CE2-CG 3.66Å; F77-F106 HydrophobicContact CE2-CG 3.66Å; F77-F106 AromaticContact CE2-CZ 3.95Å; F77-F106 HydrophobicContact CE2-CZ 3.95Å; F77-F106 HydrophobicContact CZ-CB 4.33Å; F77-F106 HydrophobicContact CZ-CD1 4.31Å; F77-F106 HydrophobicContact CZ-CD2 4.27Å; F77-F106 HydrophobicContact CZ-CG 4.04Å; F77-K229 VanDerWaalsContact CD1-NZ 3.33Å; F77-K229 HydrophobicContact CE2-CD 4.14Å; F77-K229 HydrophobicContact CZ-CD 4.1Å; F77-Y232 HydrophobicContact CE1-CD1 4.22Å; F77-Y232 HydrophobicContact CE1-CD2 4.31Å; F77-Y232 AromaticContact CE1-CE1 3.76Å; F77-Y232 HydrophobicContact CE1-CE1 3.76Å; F77-Y232 AromaticContact CE1-CE2 3.8Å; F77-Y232 HydrophobicContact CE1-CE2 3.8Å; F77-Y232 HydrophobicContact CE1-CG 4.5Å; F77-Y232 AromaticContact CE1-CZ 3.54Å; F77-Y232 AromaticContact CZ-CD1 3.95Å; F77-Y232 HydrophobicContact CZ-CD1 3.95Å; F77-Y232 AromaticContact CZ-CD2 3.76Å; F77-Y232 HydrophobicContact CZ-CD2 3.76Å; F77-Y232 AromaticContact CZ-CE1 3.96Å; F77-Y232 HydrophobicContact CZ-CE1 3.96Å; F77-Y232 AromaticContact CZ-CE2 3.72Å; F77-Y232 HydrophobicContact CZ-CE2 3.72Å; F77-Y232 AromaticContact CZ-CG 3.88Å; F77-Y232 HydrophobicContact CZ-CG 3.88Å; F77-Y232 AromaticContact CZ-CZ 3.85Å
78R92.9Very high92.3Very high95 Ų9536.4 Ų36.436%0.35818%0.178SC..THydrogen-bonded Turntrans-53.2-32.6-17766.5-169.4-175.8-86.72.8114.7Q74 Y75 R292Q74-R78 WeakPolarHBondContact O-CA 3.35Å; Q74-R78 WeakPolarHBondContact O-CB 3.23Å; Q74-R78 PolarHBondContact O-N 3.49Å; Y75-R78 VanDerWaalsContact CE1-NH1 3.3Å; Y75-R78 VanDerWaalsContact CZ-NH1 3.26Å; Y75-R78 WeakPolarHBondContact O-CD 3.5Å; Y75-R78 WeakPolarHBondContact O-CG 3.42Å; Y75-R78 PolarHBondContact O-NH1 2.87Å; R78-R292 PolarHBondContact O-NH2 2.93Å; R78-R292 VanDerWaalsContact O-NH2 3.12Å
79Y91.6Very high91.1Very high140 Ų14040.9 Ų40.955%0.54920%0.198SC..THydrogen-bonded Turntrans-107.119179-46.7-56.6000113.8F77 A301 D302F77-Y79 PolarHBondContact O-N 3.26Å; Y79-A301 CarbonylContact O-C 3.54Å; Y79-D302 HydrophobicContact CG-CB 4.33Å; Y79-D302 WeakPolarHBondContact O-CA 3.47Å; Y79-D302 PolarHBondContact O-N 3.5Å
80G92.6Very high89.9Confident14 Ų1448.6 Ų48.614%0.14423%0.231CC..SBendtrans-106.9160.9172.200000111.6F77 W82 R292 M307F77-G80 PolarHBondContact O-N 2.82Å; G80-W82 VanDerWaalsContact C-N 3.31Å; G80-W82 CarbonylContact C-O 3.59Å; G80-W82 PolarHBondContact O-N 2.75Å; G80-R292 PolarHBondContact O-NH1 3.07Å; G80-R292 PolarHBondContact O-NH2 3.38Å; G80-M307 VanDerWaalsContact C-SD 3.51Å
81R94Very high89.3Confident66 Ų6649.4 Ų49.425%0.24924%0.237CC..SBendtrans-56.7-44.4176-58.1-176.5-173.1164.9-0.4112.2N276 T289 R292 M306 M307R81-N276 WeakPolarHBondContact CD-O 3.5Å; R81-N276 PolarHBondContact NH1-O 3.3Å; R81-T289 HydrophobicContact CB-CG2 3.85Å; R81-T289 HydrophobicContact CG-CG2 3.93Å; R81-R292 PolarHBondContact O-NH1 2.93Å; R81-M306 PolarHBondContact NE-O 2.92Å; R81-M306 PolarHBondContact NH2-O 3.42Å; R81-M307 HydrophobicContact CG-SD 4.29Å
82W92.8Very high88.8Confident9 Ų947.7 Ų47.73%0.03423%0.229CC..  trans-89.4128.2164.5-175.278000109.4C73 F77 G80 C84 L97 E103 T107 Y277C73-W82 VanDerWaalsContact SG-CH2 3.53Å; F77-W82 HydrophobicContact CB-CE3 4.32Å; F77-W82 HydrophobicContact CB-CZ3 4.47Å; F77-W82 WeakPolarHBondContact CB-O 3.27Å; F77-W82 AromaticContact CD1-CE3 3.5Å; F77-W82 HydrophobicContact CD1-CE3 3.5Å; F77-W82 AromaticContact CD1-CZ3 3.83Å; F77-W82 HydrophobicContact CD1-CZ3 3.83Å; F77-W82 HydrophobicContact CD2-CE3 4.3Å; F77-W82 AromaticContact CD2-CZ3 3.81Å; F77-W82 HydrophobicContact CD2-CZ3 3.81Å; F77-W82 AromaticContact CE1-CE3 3.71Å; F77-W82 HydrophobicContact CE1-CE3 3.71Å; F77-W82 AromaticContact CE1-CZ3 3.85Å; F77-W82 HydrophobicContact CE1-CZ3 3.85Å; F77-W82 AromaticContact CE2-CZ3 3.88Å; F77-W82 HydrophobicContact CE2-CZ3 3.88Å; F77-W82 AromaticContact CG-CE3 3.8Å; F77-W82 HydrophobicContact CG-CE3 3.8Å; F77-W82 AromaticContact CG-CZ3 3.79Å; F77-W82 HydrophobicContact CG-CZ3 3.79Å; F77-W82 HydrophobicContact CZ-CE3 4.24Å; F77-W82 AromaticContact CZ-CZ3 3.88Å; F77-W82 HydrophobicContact CZ-CZ3 3.88Å; G80-W82 VanDerWaalsContact C-N 3.31Å; G80-W82 CarbonylContact C-O 3.59Å; G80-W82 PolarHBondContact O-N 2.75Å; W82-C84 HydrophobicContact CH2-CB 3.92Å; W82-C84 HydrophobicContact CZ2-CB 4.15Å; W82-C84 HydrophobicContact CZ3-CB 4.27Å; W82-L97 HydrophobicContact CZ2-CD1 3.89Å; W82-E103 HydrophobicContact CB-CG 4.15Å; W82-E103 HydrophobicContact CD2-CB 3.67Å; W82-E103 HydrophobicContact CD2-CG 3.51Å; W82-E103 HydrophobicContact CE3-CB 3.6Å; W82-E103 HydrophobicContact CE3-CG 3.39Å; W82-E103 HydrophobicContact CG-CB 4.35Å; W82-E103 HydrophobicContact CG-CG 3.86Å; W82-E103 HydrophobicContact CH2-CB 3.91Å; W82-E103 HydrophobicContact CZ2-CB 3.97Å; W82-E103 HydrophobicContact CZ3-CB 3.72Å; W82-E103 HydrophobicContact CZ3-CG 3.98Å; W82-T107 HydrophobicContact CH2-CG2 3.46Å; W82-T107 VanDerWaalsContact CH2-CG2 3.46Å; W82-T107 HydrophobicContact CZ2-CG2 3.85Å; W82-Y277 HydrophobicContact CB-CD1 4.08Å; W82-Y277 HydrophobicContact CB-CD2 3.71Å; W82-Y277 HydrophobicContact CB-CE1 4.25Å; W82-Y277 HydrophobicContact CB-CE2 3.86Å; W82-Y277 HydrophobicContact CB-CG 3.8Å; W82-Y277 AromaticContact CD1-CD1 3.81Å; W82-Y277 AromaticContact CD1-CE1 3.58Å; W82-Y277 AromaticContact CD1-CZ 3.98Å; W82-Y277 HydrophobicContact CG-CD1 4.29Å; W82-Y277 HydrophobicContact CG-CE1 4.12Å; W82-Y277 HydrophobicContact CG-CE2 4.33Å; W82-Y277 HydrophobicContact CG-CG 4.49Å
83N92.5Very high88Confident34 Ų3448.3 Ų48.318%0.18223%0.231CC..  trans-126.815.3-171.769.2-10.7000114.1F77 S85F77-N83 WeakPolarHBondContact O-CA 3.49Å; N83-S85 PolarHBondContact O-N 3.45Å; N83-S85 VanDerWaalsContact O-N 3.16Å; N83-S85 WeakPolarHBondContact OD1-CB 3.37Å; N83-S85 PolarHBondContact OD1-N 3.22Å; N83-S85 PolarHBondContact OD1-OG 2.77Å
84C91.2Very high86.7Confident0 Ų049.3 Ų49.30%024%0.242CC..SBendtrans62.319.6177.6-151.80000115.2C73 Q74 W82 L87C73-C84 HydrophobicContact CB-CB 3.93Å; C73-C84 WeakPolarHBondContact CB-SG 3.22Å; C73-C84 WeakPolarHBondContact SG-CB 3.46Å; C73-C84 CovalentContact SG-SG 2.03Å; C73-C84 PolarHBondContact SG-SG 2.89Å; Q74-C84 HydrophobicContact CG-CB 3.9Å; W82-C84 HydrophobicContact CH2-CB 3.92Å; W82-C84 HydrophobicContact CZ2-CB 4.15Å; W82-C84 HydrophobicContact CZ3-CB 4.27Å; C84-L87 PolarHBondContact O-N 3.05Å; C84-L87 WeakPolarHBondContact SG-CD1 3.05Å
85S86.6Confident85.5Confident36 Ų3648.9 Ų48.925%0.25224%0.24SC..THydrogen-bonded Turntrans-69.7-37.8-176.948.30000113.9N83 L87 V287N83-S85 PolarHBondContact O-N 3.45Å; N83-S85 VanDerWaalsContact O-N 3.16Å; N83-S85 WeakPolarHBondContact OD1-CB 3.37Å; N83-S85 PolarHBondContact OD1-N 3.22Å; N83-S85 PolarHBondContact OD1-OG 2.77Å; S85-L87 PolarHBondContact O-N 3.49Å; S85-V287 WeakPolarHBondContact OG-CG1 3.45Å
86A82.6Confident84.5Confident12 Ų1250 Ų5010%0.09925%0.247CC..THydrogen-bonded Turntrans-68.9-11.5179.200000113.9
87L81.1Confident83.9Confident14 Ų1449.3 Ų49.37%0.07324%0.244CC..SBendtrans-84.1129.9176.1-57.3-173.3000110I70 C84 S85 E89 Q95 L97 T107I70-L87 HydrophobicContact CD1-CB 4.48Å; I70-L87 HydrophobicContact CG1-CB 4.1Å; I70-L87 HydrophobicContact CG2-CB 4.23Å; C84-L87 PolarHBondContact O-N 3.05Å; C84-L87 WeakPolarHBondContact SG-CD1 3.05Å; S85-L87 PolarHBondContact O-N 3.49Å; L87-E89 VanDerWaalsContact C-N 3.35Å; L87-Q95 HydrophobicContact CD2-CB 4.21Å; L87-Q95 HydrophobicContact CD2-CG 3.97Å; L87-L97 HydrophobicContact CD2-CD2 4.28Å; L87-L97 HydrophobicContact CD2-CG 4.41Å; L87-T107 HydrophobicContact CD1-CG2 3.29Å; L87-T107 HydrophobicContact CG-CG2 4.48Å
88G75.4Confident83.4Confident27 Ų2758.1 Ų58.128%0.27828%0.277SS..SBendtrans89.5-13.5178.100000115.2K90G88-K90 VanDerWaalsContact C-N 3.31Å; G88-K90 PolarHBondContact O-N 3.15Å
89E72.9Confident83.3Confident155 Ų15554.8 Ų54.872%0.72427%0.268SS*.SBendtrans-57.2-41.8-178.8-170.4-176-169.900112.9L87L87-E89 VanDerWaalsContact C-N 3.35Å
90K71.6Confident83.3Confident163 Ų16348.2 Ų48.271%0.70924%0.242SC*.SBendtrans-102.6-37179.1-63.5-177.5-177.9178.60113.3G88G88-K90 VanDerWaalsContact C-N 3.31Å; G88-K90 PolarHBondContact O-N 3.15Å
91T82.1Confident83.5Confident22 Ų2247.6 Ų47.614%0.13524%0.236CC..  trans-170.4143.1-178.1167.20000109.8P42 F93 G94P42-T91 WeakPolarHBondContact O-CB 3.24Å; P42-T91 PolarHBondContact O-OG1 2.92Å; T91-F93 PolarHBondContact O-N 2.86Å; T91-F93 PolarHBondContact OG1-N 3.24Å; T91-G94 PolarHBondContact OG1-N 3.49Å
92V84.8Confident83.6Confident44 Ų4448.4 Ų48.427%0.26724%0.239SC..THydrogen-bonded Turntrans-68.5-18172-63.80000113A66 Q67 I70A66-V92 HydrophobicContact CB-CB 4.17Å; Q67-V92 HydrophobicContact CB-CG1 4.48Å; I70-V92 HydrophobicContact CD1-CB 4.28Å; I70-V92 HydrophobicContact CD1-CG1 4.09Å
93F82.4Confident83.7Confident21 Ų2148.2 Ų48.29%0.09224%0.238CC..THydrogen-bonded Turntrans-106.1-21.1-173.9-57.3-55.4000115I41 L44 I59 I62 A66 T91 F166 R170I41-F93 HydrophobicContact CG2-CD2 3.62Å; I41-F93 HydrophobicContact CG2-CE2 3.82Å; L44-F93 HydrophobicContact CD2-CB 3.88Å; L44-F93 HydrophobicContact CD2-CD1 4.33Å; L44-F93 HydrophobicContact CD2-CD2 3.69Å; L44-F93 HydrophobicContact CD2-CE2 4.3Å; L44-F93 HydrophobicContact CD2-CG 3.7Å; L44-F93 HydrophobicContact CG-CD2 4.32Å; I59-F93 HydrophobicContact CD1-CE1 4.45Å; I59-F93 HydrophobicContact CD1-CE2 4.14Å; I59-F93 HydrophobicContact CD1-CZ 3.85Å; I59-F93 HydrophobicContact CG1-CE2 4.43Å; I59-F93 HydrophobicContact CG1-CZ 4.34Å; I62-F93 HydrophobicContact CG2-CE1 3.83Å; I62-F93 HydrophobicContact CG2-CZ 4.47Å; A66-F93 HydrophobicContact CB-CE1 4.36Å; T91-F93 PolarHBondContact O-N 2.86Å; T91-F93 PolarHBondContact OG1-N 3.24Å; F93-F166 HydrophobicContact CD1-CE1 4.04Å; F93-F166 HydrophobicContact CD1-CZ 4.19Å; F93-F166 HydrophobicContact CE1-CE1 4.12Å; F93-F166 HydrophobicContact CE1-CZ 4.21Å; F93-R170 PolarHBondContact O-NH1 3.49Å
94G67.7Low83.8Confident22 Ų2246.6 Ų46.623%0.22723%0.229CC..THydrogen-bonded Turntrans-102.2-23.9-164.300000116.5T91 E96 R170T91-G94 PolarHBondContact OG1-N 3.49Å; G94-E96 PolarHBondContact O-N 3.29Å; G94-E96 VanDerWaalsContact O-N 3.15Å; G94-R170 PolarHBondContact O-NH2 3.4Å
95Q71.6Confident84.1Confident63 Ų6346.6 Ų46.629%0.29423%0.229SC..  trans-74.6112.7-172.3-161.874.8-500110.5L87L87-Q95 HydrophobicContact CD2-CB 4.21Å; L87-Q95 HydrophobicContact CD2-CG 3.97Å
96E76.5Confident84.6Confident86 Ų8644.9 Ų44.940%0.40222%0.217SC..  trans-104.7123.5167.9174.2169.8-163.400108.2G94 R98 Y108 R177G94-E96 PolarHBondContact O-N 3.29Å; G94-E96 VanDerWaalsContact O-N 3.15Å; E96-R98 PolarHBondContact O-N 3.39Å; E96-Y108 WeakPolarHBondContact CG-OH 3.35Å; E96-Y108 PolarHBondContact OE1-OH 3.4Å; E96-R177 IonicContact OE1-NE 3.5Å
97L84.3Confident85.2Confident7 Ų744.8 Ų44.84%0.03722%0.216CC..  trans-63.4128.4169.8-66.5178.8000108.8W82 L87 V99 E103 A104 T107 R177W82-L97 HydrophobicContact CZ2-CD1 3.89Å; L87-L97 HydrophobicContact CD2-CD2 4.28Å; L87-L97 HydrophobicContact CD2-CG 4.41Å; L97-V99 VanDerWaalsContact C-N 3.28Å; L97-V99 PolarHBondContact O-N 2.83Å; L97-E103 HydrophobicContact CD1-CB 4.46Å; L97-A104 HydrophobicContact CB-CB 4.16Å; L97-A104 HydrophobicContact CD1-CB 4.11Å; L97-T107 HydrophobicContact CD1-CG2 4.01Å; L97-R177 PolarHBondContact O-NH2 3.43Å
98R84.5Confident86Confident190 Ų19044.6 Ų44.672%0.71721%0.214SC*.SBendtrans-61.7-36.9-174.9-176.2178.3178.7-179.51.5112.9E96 S283E96-R98 PolarHBondContact O-N 3.39Å; R98-S283 WeakPolarHBondContact CB-O 3.34Å
99V89.6Confident87.1Confident26 Ų2643.3 Ų43.316%0.15820%0.201CC..SBendtrans-91.6140.4-171.3-177.80000111.6L97 S101 A104 R177 E272 T284L97-V99 VanDerWaalsContact C-N 3.28Å; L97-V99 PolarHBondContact O-N 2.83Å; V99-S101 PolarHBondContact O-N 2.97Å; V99-A104 WeakPolarHBondContact O-CB 3.47Å; V99-R177 VanDerWaalsContact C-NH1 3.33Å; V99-R177 PolarHBondContact O-NH1 3.42Å; V99-R177 PolarHBondContact O-NH2 3.1Å; V99-E272 HydrophobicContact CG1-CB 3.74Å; V99-T284 HydrophobicContact CG2-CG2 3.93Å
100G93.3Very high88.3Confident1 Ų136 Ų361%0.0117%0.167CC..  trans-5124.9164.900000118.6Y270 I271 E272G100-Y270 CarbonylContact O-C 3.52Å; G100-Y270 WeakPolarHBondContact O-CB 3.47Å; G100-I271 PolarHBondContact O-N 3.21Å; G100-E272 WeakPolarHBondContact CA-OE1 3.31Å; G100-E272 PolarHBondContact N-OE1 3.44Å; G100-E272 PolarHBondContact O-N 2.92Å
101S95.5Very high89.5Confident1 Ų129.7 Ų29.71%0.00714%0.142CC..  trans-88.9173.3-160.976.20000115.5V99 E103 A104 A105 E272 Y277V99-S101 PolarHBondContact O-N 2.97Å; S101-E103 WeakPolarHBondContact CB-OE2 3.32Å; S101-E103 PolarHBondContact O-N 3.39Å; S101-E103 PolarHBondContact OG-N 3.26Å; S101-E103 PolarHBondContact OG-OE2 3.09Å; S101-A104 WeakPolarHBondContact O-CB 3.34Å; S101-A104 PolarHBondContact O-N 2.88Å; S101-A104 PolarHBondContact OG-N 3.19Å; S101-A105 PolarHBondContact O-N 3.14Å; S101-E272 WeakPolarHBondContact CA-O 3.34Å; S101-Y277 PolarHBondContact OG-OH 3.49Å
102R96.2Very high90.3Very high84 Ų8428.6 Ų28.632%0.31714%0.135SC..Hα-helixtrans-60.7-35.9173.2-69.1-177.7-71.2-175.1-2.5112.2A105 F106 Y232 A235 Y270 S274R102-A105 WeakPolarHBondContact O-CB 3.37Å; R102-A105 PolarHBondContact O-N 2.9Å; R102-F106 PolarHBondContact O-N 2.82Å; R102-Y232 HydrophobicContact CB-CD2 3.83Å; R102-Y232 HydrophobicContact CB-CE2 3.44Å; R102-Y232 VanDerWaalsContact CB-CE2 3.44Å; R102-Y232 WeakPolarHBondContact O-CD2 3.43Å; R102-A235 HydrophobicContact CG-CB 3.98Å; R102-Y270 HydrophobicContact CG-CD1 3.33Å; R102-Y270 HydrophobicContact CG-CD2 4.26Å; R102-Y270 HydrophobicContact CG-CE1 3.54Å; R102-Y270 HydrophobicContact CG-CE2 4.44Å; R102-Y270 HydrophobicContact CG-CG 3.69Å; R102-S274 PolarHBondContact NE-OG 3.1Å
103E94.9Very high90.9Very high4 Ų426.5 Ų26.52%0.01912%0.123CC..Hα-helixtrans-65-44.7178-60.274.1-151.600109.5W82 L97 S101 A105 F106 T107 Y232 S274 Y277W82-E103 HydrophobicContact CB-CG 4.15Å; W82-E103 HydrophobicContact CD2-CB 3.67Å; W82-E103 HydrophobicContact CD2-CG 3.51Å; W82-E103 HydrophobicContact CE3-CB 3.6Å; W82-E103 HydrophobicContact CE3-CG 3.39Å; W82-E103 HydrophobicContact CG-CB 4.35Å; W82-E103 HydrophobicContact CG-CG 3.86Å; W82-E103 HydrophobicContact CH2-CB 3.91Å; W82-E103 HydrophobicContact CZ2-CB 3.97Å; W82-E103 HydrophobicContact CZ3-CB 3.72Å; W82-E103 HydrophobicContact CZ3-CG 3.98Å; L97-E103 HydrophobicContact CD1-CB 4.46Å; S101-E103 WeakPolarHBondContact CB-OE2 3.32Å; S101-E103 PolarHBondContact O-N 3.39Å; S101-E103 PolarHBondContact OG-N 3.26Å; S101-E103 PolarHBondContact OG-OE2 3.09Å; E103-A105 VanDerWaalsContact C-N 3.32Å; E103-A105 PolarHBondContact O-N 2.85Å; E103-F106 PolarHBondContact O-N 2.87Å; E103-T107 WeakPolarHBondContact O-CG2 3.05Å; E103-T107 PolarHBondContact O-N 3.5Å; E103-Y232 HydrophobicContact CG-CE2 4.19Å; E103-Y232 PolarHBondContact OE1-OH 3.41Å; E103-S274 VanDerWaalsContact CD-OG 3.24Å; E103-S274 VanDerWaalsContact OE1-CB 3.28Å; E103-S274 WeakPolarHBondContact OE1-CB 3.34Å; E103-S274 PolarHBondContact OE1-OG 3.08Å; E103-S274 WeakPolarHBondContact OE2-CB 3.42Å; E103-S274 PolarHBondContact OE2-OG 3.32Å; E103-Y277 VanDerWaalsContact CD-CE2 3.48Å; E103-Y277 HydrophobicContact CG-CE2 3.96Å; E103-Y277 WeakPolarHBondContact CG-OH 3.1Å; E103-Y277 PolarHBondContact OE2-OH 3.47Å
104A94.9Very high91.7Very high0 Ų025.5 Ų25.50%012%0.118CC..Hα-helixtrans-57.6-44.6170.800000112.2L97 V99 S101 F106 T107 Y108 M180L97-A104 HydrophobicContact CB-CB 4.16Å; L97-A104 HydrophobicContact CD1-CB 4.11Å; V99-A104 WeakPolarHBondContact O-CB 3.47Å; S101-A104 WeakPolarHBondContact O-CB 3.34Å; S101-A104 PolarHBondContact O-N 2.88Å; S101-A104 PolarHBondContact OG-N 3.19Å; A104-F106 VanDerWaalsContact C-N 3.31Å; A104-F106 PolarHBondContact O-N 3.34Å; A104-T107 WeakPolarHBondContact CA-OG1 3.14Å; A104-T107 PolarHBondContact O-N 2.97Å; A104-T107 VanDerWaalsContact O-N 3.13Å; A104-T107 PolarHBondContact O-OG1 2.9Å; A104-Y108 VanDerWaalsContact O-CD2 3.23Å; A104-Y108 WeakPolarHBondContact O-CD2 3.32Å; A104-Y108 PolarHBondContact O-N 2.77Å; A104-M180 HydrophobicContact CB-CE 4.37Å
105A97.4Very high93.1Very high0 Ų024.7 Ų24.70%011%0.108CC..Hα-helixtrans-55.6-46.6177.200000112.3S101 R102 E103 A109 N184 L268 V269S101-A105 PolarHBondContact O-N 3.14Å; R102-A105 WeakPolarHBondContact O-CB 3.37Å; R102-A105 PolarHBondContact O-N 2.9Å; E103-A105 VanDerWaalsContact C-N 3.32Å; E103-A105 PolarHBondContact O-N 2.85Å; A105-A109 PolarHBondContact O-N 3.43Å; A105-N184 VanDerWaalsContact CA-ND2 3.34Å; A105-N184 WeakPolarHBondContact CA-ND2 3.23Å; A105-N184 VanDerWaalsContact CB-ND2 3.34Å; A105-N184 WeakPolarHBondContact CB-ND2 3.32Å; A105-L268 HydrophobicContact CB-CB 4.2Å; A105-V269 VanDerWaalsContact CB-O 3.27Å; A105-V269 WeakPolarHBondContact CB-O 3.4Å
106F97.5Very high94.4Very high0 Ų021.7 Ų21.70%09%0.094CC..Hα-helixtrans-62.9-43.6175.5-174.8-82.4000112.1C73 Q76 F77 R102 E103 A104 Y108 A109 I110 L228 K229 Y232 L268C73-F106 HydrophobicContact CB-CD1 4.46Å; C73-F106 HydrophobicContact CB-CE1 3.93Å; Q76-F106 HydrophobicContact CB-CZ 4.12Å; Q76-F106 HydrophobicContact CG-CZ 4.05Å; F77-F106 HydrophobicContact CD2-CD1 4.37Å; F77-F106 HydrophobicContact CD2-CE1 4.27Å; F77-F106 HydrophobicContact CE2-CB 4.37Å; F77-F106 AromaticContact CE2-CD1 3.54Å; F77-F106 HydrophobicContact CE2-CD1 3.54Å; F77-F106 AromaticContact CE2-CD2 3.92Å; F77-F106 HydrophobicContact CE2-CD2 3.92Å; F77-F106 AromaticContact CE2-CE1 3.71Å; F77-F106 HydrophobicContact CE2-CE1 3.71Å; F77-F106 HydrophobicContact CE2-CE2 4.04Å; F77-F106 AromaticContact CE2-CG 3.66Å; F77-F106 HydrophobicContact CE2-CG 3.66Å; F77-F106 AromaticContact CE2-CZ 3.95Å; F77-F106 HydrophobicContact CE2-CZ 3.95Å; F77-F106 HydrophobicContact CZ-CB 4.33Å; F77-F106 HydrophobicContact CZ-CD1 4.31Å; F77-F106 HydrophobicContact CZ-CD2 4.27Å; F77-F106 HydrophobicContact CZ-CG 4.04Å; R102-F106 PolarHBondContact O-N 2.82Å; E103-F106 PolarHBondContact O-N 2.87Å; A104-F106 VanDerWaalsContact C-N 3.31Å; A104-F106 PolarHBondContact O-N 3.34Å; F106-Y108 PolarHBondContact O-N 3.28Å; F106-A109 PolarHBondContact O-N 3.14Å; F106-I110 HydrophobicContact CD1-CB 4.29Å; F106-I110 HydrophobicContact CD1-CG2 4Å; F106-I110 HydrophobicContact CE1-CB 3.85Å; F106-I110 HydrophobicContact CE1-CG1 4.16Å; F106-I110 HydrophobicContact CE1-CG2 3.79Å; F106-I110 HydrophobicContact CZ-CB 4.31Å; F106-I110 HydrophobicContact CZ-CD1 4.49Å; F106-I110 HydrophobicContact CZ-CG1 4.39Å; F106-I110 WeakPolarHBondContact O-CG2 3.48Å; F106-I110 PolarHBondContact O-N 3.33Å; F106-L228 HydrophobicContact CD2-CB 4.07Å; F106-L228 HydrophobicContact CE2-CB 3.62Å; F106-L228 HydrophobicContact CZ-CB 4.35Å; F106-K229 HydrophobicContact CE2-CB 4.24Å; F106-Y232 HydrophobicContact CB-CD2 4Å; F106-Y232 HydrophobicContact CD2-CG 4.49Å; F106-L268 HydrophobicContact CB-CD1 4.4Å; F106-L268 HydrophobicContact CD2-CD1 4.4Å
107T95.6Very high95.5Very high10 Ų1018.6 Ų18.66%0.0618%0.08CC..Hα-helixtrans-61.7-42.5-178.857.20000112.7W82 L87 L97 E103 A104 T111W82-T107 HydrophobicContact CH2-CG2 3.46Å; W82-T107 VanDerWaalsContact CH2-CG2 3.46Å; W82-T107 HydrophobicContact CZ2-CG2 3.85Å; L87-T107 HydrophobicContact CD1-CG2 3.29Å; L87-T107 HydrophobicContact CG-CG2 4.48Å; L97-T107 HydrophobicContact CD1-CG2 4.01Å; E103-T107 WeakPolarHBondContact O-CG2 3.05Å; E103-T107 PolarHBondContact O-N 3.5Å; A104-T107 WeakPolarHBondContact CA-OG1 3.14Å; A104-T107 PolarHBondContact O-N 2.97Å; A104-T107 VanDerWaalsContact O-N 3.13Å; A104-T107 PolarHBondContact O-OG1 2.9Å; T107-T111 WeakPolarHBondContact O-CB 3.37Å; T107-T111 WeakPolarHBondContact O-CG2 3.21Å; T107-T111 PolarHBondContact O-N 3.36Å; T107-T111 VanDerWaalsContact O-N 3.08Å; T107-T111 PolarHBondContact O-OG1 3.34Å
108Y96.9Very high96.2Very high11 Ų1118.7 Ų18.74%0.0438%0.082CC..Hα-helixtrans-66-43.7178.4-84.2-81.2000110.6E96 A104 F106 T111 A112 E171 N181 N185E96-Y108 WeakPolarHBondContact CG-OH 3.35Å; E96-Y108 PolarHBondContact OE1-OH 3.4Å; A104-Y108 VanDerWaalsContact O-CD2 3.23Å; A104-Y108 WeakPolarHBondContact O-CD2 3.32Å; A104-Y108 PolarHBondContact O-N 2.77Å; F106-Y108 PolarHBondContact O-N 3.28Å; Y108-T111 PolarHBondContact O-OG1 3.32Å; Y108-A112 VanDerWaalsContact O-CB 3.28Å; Y108-A112 WeakPolarHBondContact O-CB 3.4Å; Y108-A112 PolarHBondContact O-N 2.99Å; Y108-E171 WeakPolarHBondContact CE1-OE1 3.39Å; Y108-N181 HydrophobicContact CD1-CB 3.93Å; Y108-N181 HydrophobicContact CE1-CB 3.82Å; Y108-N181 HydrophobicContact CE2-CB 4.45Å; Y108-N181 VanDerWaalsContact CE2-OD1 3.26Å; Y108-N181 WeakPolarHBondContact CE2-OD1 3.48Å; Y108-N181 HydrophobicContact CG-CB 4.29Å; Y108-N181 VanDerWaalsContact CZ-ND2 3.31Å; Y108-N181 PolarHBondContact OH-ND2 3.3Å; Y108-N185 VanDerWaalsContact CB-OD1 3.3Å; Y108-N185 WeakPolarHBondContact CB-OD1 3.35Å; Y108-N185 VanDerWaalsContact CD1-OD1 3.3Å; Y108-N185 WeakPolarHBondContact CD1-OD1 3.34Å; Y108-N185 PolarHBondContact O-OD1 2.88Å; Y108-N185 VanDerWaalsContact O-OD1 3.1Å
109A98.5Very high96.8Very high0 Ų09.6 Ų9.60%05%0.047CC..Hα-helixtrans-62.8-51.2177.300000113.4A105 F106 T111 A112 A113 N184 G188 L228 L268A105-A109 PolarHBondContact O-N 3.43Å; F106-A109 PolarHBondContact O-N 3.14Å; A109-T111 PolarHBondContact O-N 3.31Å; A109-A112 PolarHBondContact O-N 3.44Å; A109-A113 VanDerWaalsContact O-CB 3.31Å; A109-A113 WeakPolarHBondContact O-CB 3.31Å; A109-A113 PolarHBondContact O-N 2.9Å; A109-N184 WeakPolarHBondContact CA-O 3.26Å; A109-N184 VanDerWaalsContact CB-O 3.25Å; A109-N184 WeakPolarHBondContact CB-O 3.41Å; A109-G188 WeakPolarHBondContact O-CA 3.22Å; A109-L228 HydrophobicContact CB-CD1 4.16Å; A109-L228 HydrophobicContact CB-CD2 4Å; A109-L268 HydrophobicContact CB-CD2 3.56Å
110I98.1Very high97.2Very high1 Ų18.4 Ų8.41%0.0054%0.04CC..Hα-helixtrans-69.1-34.1-175.9-163.766.3000112.1E72 C73 F106 G114 F221 L228E72-I110 HydrophobicContact CB-CD1 4.36Å; E72-I110 HydrophobicContact CB-CG1 4.29Å; E72-I110 HydrophobicContact CG-CD1 4.02Å; E72-I110 HydrophobicContact CG-CG1 4.42Å; C73-I110 HydrophobicContact CB-CG2 4.2Å; F106-I110 HydrophobicContact CD1-CB 4.29Å; F106-I110 HydrophobicContact CD1-CG2 4Å; F106-I110 HydrophobicContact CE1-CB 3.85Å; F106-I110 HydrophobicContact CE1-CG1 4.16Å; F106-I110 HydrophobicContact CE1-CG2 3.79Å; F106-I110 HydrophobicContact CZ-CB 4.31Å; F106-I110 HydrophobicContact CZ-CD1 4.49Å; F106-I110 HydrophobicContact CZ-CG1 4.39Å; F106-I110 WeakPolarHBondContact O-CG2 3.48Å; F106-I110 PolarHBondContact O-N 3.33Å; I110-G114 PolarHBondContact O-N 2.69Å; I110-F221 HydrophobicContact CD1-CE1 3.79Å; I110-F221 HydrophobicContact CD1-CZ 3.64Å; I110-F221 HydrophobicContact CG1-CE1 4.09Å; I110-F221 HydrophobicContact CG1-CZ 4.01Å; I110-L228 HydrophobicContact CB-CD1 4.18Å; I110-L228 HydrophobicContact CD1-CD1 3.7Å
111T96.6Very high97.4Very high30 Ų309.3 Ų9.318%0.1845%0.047CC..Hα-helixtrans-72.4-42.2176.954.80000111.7T107 Y108 A109 A113 G114 V115T107-T111 WeakPolarHBondContact O-CB 3.37Å; T107-T111 WeakPolarHBondContact O-CG2 3.21Å; T107-T111 PolarHBondContact O-N 3.36Å; T107-T111 VanDerWaalsContact O-N 3.08Å; T107-T111 PolarHBondContact O-OG1 3.34Å; Y108-T111 PolarHBondContact O-OG1 3.32Å; A109-T111 PolarHBondContact O-N 3.31Å; T111-A113 VanDerWaalsContact C-N 3.34Å; T111-A113 PolarHBondContact O-N 2.76Å; T111-G114 PolarHBondContact O-N 3.09Å; T111-V115 WeakPolarHBondContact O-CG2 3.28Å; T111-V115 PolarHBondContact O-N 3.3Å
112A98.4Very high97.5Very high0 Ų09.6 Ų9.60%05%0.05CC..Hα-helixtrans-62.5-41.4174.800000112.1Y108 A109 A116 S163 V167 N185 R189Y108-A112 VanDerWaalsContact O-CB 3.28Å; Y108-A112 WeakPolarHBondContact O-CB 3.4Å; Y108-A112 PolarHBondContact O-N 2.99Å; A109-A112 PolarHBondContact O-N 3.44Å; A112-A116 WeakPolarHBondContact O-CB 3.41Å; A112-A116 PolarHBondContact O-N 2.78Å; A112-A116 VanDerWaalsContact O-N 3.1Å; A112-S163 PolarHBondContact O-OG 3.49Å; A112-V167 HydrophobicContact CB-CG1 4.26Å; A112-N185 HydrophobicContact CB-CB 3.81Å; A112-N185 WeakPolarHBondContact CB-O 3.3Å; A112-R189 HydrophobicContact CB-CG 4.25Å
113A98.7Very high97.6Very high0 Ų05.8 Ų5.80%04%0.036CC..Hα-helixtrans-64.4-44.1173.200000111.7A109 T111 V115 A116 H117 L192 F221 I224A109-A113 VanDerWaalsContact O-CB 3.31Å; A109-A113 WeakPolarHBondContact O-CB 3.31Å; A109-A113 PolarHBondContact O-N 2.9Å; T111-A113 VanDerWaalsContact C-N 3.34Å; T111-A113 PolarHBondContact O-N 2.76Å; A113-V115 PolarHBondContact O-N 2.84Å; A113-A116 PolarHBondContact O-N 2.74Å; A113-H117 VanDerWaalsContact O-CB 3.26Å; A113-H117 WeakPolarHBondContact O-CB 3.19Å; A113-H117 PolarHBondContact O-N 3.02Å; A113-L192 WeakPolarHBondContact O-CD2 3.41Å; A113-F221 HydrophobicContact CB-CE2 4.22Å; A113-I224 HydrophobicContact CB-CG2 4.16Å
114G98.6Very high97.6Very high0 Ų07.3 Ų7.30%05%0.047CC..Hα-helixtrans-60.9-43.8179.100000112.9G65 I110 T111 H117 A118 F221G65-G114 VanDerWaalsContact CA-O 3.29Å; G65-G114 WeakPolarHBondContact CA-O 3.25Å; G65-G114 CarbonylContact O-C 3.52Å; G65-G114 WeakPolarHBondContact O-CA 3.36Å; I110-G114 PolarHBondContact O-N 2.69Å; T111-G114 PolarHBondContact O-N 3.09Å; G114-H117 PolarHBondContact O-N 3.11Å; G114-A118 WeakPolarHBondContact O-CB 3.29Å; G114-A118 PolarHBondContact O-N 3.03Å; G114-F221 VanDerWaalsContact CA-CE2 3.42Å; G114-F221 VanDerWaalsContact CA-CZ 3.42Å
115V98.4Very high97.5Very high4 Ų413.5 Ų13.52%0.0248%0.076CC..Hα-helixtrans-64.1-45.3174.5173.90000111.3I62 A66 T111 A113 H117 A118 V119 V167I62-V115 HydrophobicContact CB-CG1 4.48Å; I62-V115 HydrophobicContact CG1-CG1 4.28Å; I62-V115 HydrophobicContact CG2-CG1 3.98Å; I62-V115 HydrophobicContact CG2-CG2 3.95Å; A66-V115 HydrophobicContact CB-CG2 4.45Å; T111-V115 WeakPolarHBondContact O-CG2 3.28Å; T111-V115 PolarHBondContact O-N 3.3Å; A113-V115 PolarHBondContact O-N 2.84Å; V115-H117 VanDerWaalsContact C-N 3.33Å; V115-H117 PolarHBondContact O-N 3Å; V115-A118 PolarHBondContact O-N 3.03Å; V115-V119 HydrophobicContact CG1-CG2 4.34Å; V115-V119 WeakPolarHBondContact O-CB 3.38Å; V115-V119 VanDerWaalsContact O-CG2 3.27Å; V115-V119 WeakPolarHBondContact O-CG2 3.4Å; V115-V119 PolarHBondContact O-N 3.46Å; V115-V167 HydrophobicContact CB-CG2 4.05Å; V115-V167 HydrophobicContact CG1-CG2 4.14Å; V115-V167 HydrophobicContact CG2-CG2 3.96Å
116A98.7Very high97.3Very high0 Ų016.4 Ų16.40%011%0.106CC..Hα-helixtrans-62.8-41178.200000112A112 A113 T120 I160 R189 L192A112-A116 WeakPolarHBondContact O-CB 3.41Å; A112-A116 PolarHBondContact O-N 2.78Å; A112-A116 VanDerWaalsContact O-N 3.1Å; A113-A116 PolarHBondContact O-N 2.74Å; A116-T120 WeakPolarHBondContact O-CB 3.33Å; A116-T120 PolarHBondContact O-N 3.26Å; A116-T120 PolarHBondContact O-OG1 3.49Å; A116-I160 HydrophobicContact CB-CG1 4.3Å; A116-R189 HydrophobicContact CB-CG 4.48Å; A116-L192 HydrophobicContact CB-CD2 3.73Å
117H98.7Very high97.2Very high22 Ų2222 Ų2210%0.10214%0.136CC..Hα-helixtrans-62.7-52.7177.3-172.1-69.2000111.3A113 G114 V115 V119 T120 A121 L192 L218 P219 F221A113-H117 VanDerWaalsContact O-CB 3.26Å; A113-H117 WeakPolarHBondContact O-CB 3.19Å; A113-H117 PolarHBondContact O-N 3.02Å; G114-H117 PolarHBondContact O-N 3.11Å; V115-H117 VanDerWaalsContact C-N 3.33Å; V115-H117 PolarHBondContact O-N 3Å; H117-V119 PolarHBondContact O-N 3.44Å; H117-T120 PolarHBondContact O-N 3.49Å; H117-A121 WeakPolarHBondContact O-CB 3.29Å; H117-A121 PolarHBondContact O-N 2.94Å; H117-L192 HydrophobicContact CB-CD1 4.43Å; H117-L192 HydrophobicContact CB-CD2 3.96Å; H117-L218 WeakPolarHBondContact O-CD1 3.33Å; H117-P219 PolarHBondContact NE2-O 3.46Å; H117-F221 HydrophobicContact CB-CD2 4.05Å; H117-F221 HydrophobicContact CB-CE2 4.23Å; H117-F221 AromaticContact CD2-CD2 3.83Å; H117-F221 AromaticContact CG-CD2 3.9Å
118A98.5Very high97.2Very high8 Ų821.9 Ų21.97%0.06614%0.135CC..Hα-helixtrans-62.5-43.4-179.200000112.5V61 G65 G114 V115 A121 A122V61-A118 HydrophobicContact CG1-CB 4.06Å; V61-A118 WeakPolarHBondContact CG1-O 3.25Å; G65-A118 VanDerWaalsContact CA-CB 3.45Å; G114-A118 WeakPolarHBondContact O-CB 3.29Å; G114-A118 PolarHBondContact O-N 3.03Å; V115-A118 PolarHBondContact O-N 3.03Å; A118-A121 PolarHBondContact O-N 3.5Å; A118-A122 WeakPolarHBondContact O-CB 3.42Å; A118-A122 PolarHBondContact O-N 3.42Å
119V98.4Very high97.1Very high0 Ų024.1 Ų24.10%015%0.152CC..Hα-helixtrans-62.4-46.5176.6172.10000111V61 I62 V115 H117 A121 A122 C123 L128 Y158 F162V61-V119 HydrophobicContact CG1-CG2 4.1Å; I62-V119 HydrophobicContact CG1-CG2 4.47Å; V115-V119 HydrophobicContact CG1-CG2 4.34Å; V115-V119 WeakPolarHBondContact O-CB 3.38Å; V115-V119 VanDerWaalsContact O-CG2 3.27Å; V115-V119 WeakPolarHBondContact O-CG2 3.4Å; V115-V119 PolarHBondContact O-N 3.46Å; H117-V119 PolarHBondContact O-N 3.44Å; V119-A121 VanDerWaalsContact C-N 3.32Å; V119-A121 PolarHBondContact O-N 2.83Å; V119-A122 PolarHBondContact O-N 3.27Å; V119-C123 WeakPolarHBondContact O-CB 3.44Å; V119-C123 PolarHBondContact O-N 2.88Å; V119-C123 PolarHBondContact O-SG 3.33Å; V119-L128 HydrophobicContact CG1-CD2 4.01Å; V119-Y158 HydrophobicContact CG1-CD1 4.07Å; V119-Y158 HydrophobicContact CG1-CE1 3.83Å; V119-F162 HydrophobicContact CG1-CB 4Å; V119-F162 HydrophobicContact CG1-CG 4.15Å; V119-F162 HydrophobicContact CG2-CD1 4.13Å
120T98.1Very high96.7Very high1 Ų130.4 Ų30.41%0.00619%0.186CC..Hα-helixtrans-60.3-43.6178.2-56.20000111.4A116 H117 S124 A154 G159 L218A116-T120 WeakPolarHBondContact O-CB 3.33Å; A116-T120 PolarHBondContact O-N 3.26Å; A116-T120 PolarHBondContact O-OG1 3.49Å; H117-T120 PolarHBondContact O-N 3.49Å; T120-S124 WeakPolarHBondContact O-CB 3.38Å; T120-S124 PolarHBondContact O-N 3.48Å; T120-S124 PolarHBondContact O-OG 2.97Å; T120-A154 HydrophobicContact CG2-CB 3.86Å; T120-G159 WeakPolarHBondContact OG1-CA 3.31Å; T120-L218 HydrophobicContact CG2-CD1 3.88Å; T120-L218 HydrophobicContact CG2-CD2 3.9Å; T120-L218 HydrophobicContact CG2-CG 3.98Å
121A97.5Very high96.6Very high19 Ų1932 Ų3216%0.15720%0.196CC..Hα-helixtrans-63.5-46.8177.900000111.4H117 A118 V119 C123 S124 Q125 L218H117-A121 WeakPolarHBondContact O-CB 3.29Å; H117-A121 PolarHBondContact O-N 2.94Å; A118-A121 PolarHBondContact O-N 3.5Å; V119-A121 VanDerWaalsContact C-N 3.32Å; V119-A121 PolarHBondContact O-N 2.83Å; A121-C123 PolarHBondContact O-N 3.36Å; A121-S124 PolarHBondContact O-N 3.43Å; A121-Q125 WeakPolarHBondContact O-CB 3.38Å; A121-Q125 VanDerWaalsContact O-CG 3.23Å; A121-Q125 WeakPolarHBondContact O-CG 3.5Å; A121-Q125 PolarHBondContact O-N 2.81Å; A121-L218 HydrophobicContact CB-CD1 3.76Å
122A97.7Very high96.5Very high7 Ų732.1 Ų32.16%0.05820%0.203CC..Hα-helixtrans-64-40.6179.900000112.4V61 A118 V119 Q125 G126 N127 L128V61-A122 HydrophobicContact CB-CB 4.45Å; V61-A122 HydrophobicContact CG1-CB 3.66Å; V61-A122 HydrophobicContact CG2-CB 3.88Å; A118-A122 WeakPolarHBondContact O-CB 3.42Å; A118-A122 PolarHBondContact O-N 3.42Å; V119-A122 PolarHBondContact O-N 3.27Å; A122-Q125 PolarHBondContact O-N 3.02Å; A122-G126 PolarHBondContact O-N 3.38Å; A122-G126 VanDerWaalsContact O-N 3.07Å; A122-N127 HydrophobicContact CB-CB 4.36Å; A122-N127 PolarHBondContact O-N 3.29Å; A122-L128 HydrophobicContact CB-CB 3.91Å; A122-L128 PolarHBondContact O-N 3.45Å
123C97Very high96.2Very high4 Ų433.1 Ų33.13%0.02721%0.21CC..Hα-helixtrans-63.4-41.9174.1-670000112V119 A121 Q125 G126 C131 Y158V119-C123 WeakPolarHBondContact O-CB 3.44Å; V119-C123 PolarHBondContact O-N 2.88Å; V119-C123 PolarHBondContact O-SG 3.33Å; A121-C123 PolarHBondContact O-N 3.36Å; C123-Q125 VanDerWaalsContact C-N 3.3Å; C123-Q125 PolarHBondContact O-N 3.36Å; C123-G126 PolarHBondContact O-N 2.84Å; C123-C131 VanDerWaalsContact CA-SG 3.52Å; C123-C131 HydrophobicContact CB-CB 3.83Å; C123-C131 WeakPolarHBondContact CB-SG 3.39Å; C123-C131 WeakPolarHBondContact SG-CB 3.46Å; C123-C131 CovalentContact SG-SG 2.03Å; C123-C131 PolarHBondContact SG-SG 3.31Å; C123-Y158 WeakPolarHBondContact SG-CE1 3.26Å
124S94.5Very high95.9Very high36 Ų3634.9 Ų34.925%0.25222%0.219SC..Hα-helixtrans-68.3-30.8179.4-54.10000112.6T120 A121 A154T120-S124 WeakPolarHBondContact O-CB 3.38Å; T120-S124 PolarHBondContact O-N 3.48Å; T120-S124 PolarHBondContact O-OG 2.97Å; A121-S124 PolarHBondContact O-N 3.43Å; S124-A154 WeakPolarHBondContact OG-CA 3.38Å
125Q93.9Very high95.3Very high131 Ų13143 Ų4361%0.61225%0.25SC*.Hα-helixtrans-85-10.1177.1-67.8167.725.400113.3A121 A122 C123 N127A121-Q125 WeakPolarHBondContact O-CB 3.38Å; A121-Q125 VanDerWaalsContact O-CG 3.23Å; A121-Q125 WeakPolarHBondContact O-CG 3.5Å; A121-Q125 PolarHBondContact O-N 2.81Å; A122-Q125 PolarHBondContact O-N 3.02Å; C123-Q125 VanDerWaalsContact C-N 3.3Å; C123-Q125 PolarHBondContact O-N 3.36Å; Q125-N127 VanDerWaalsContact C-N 3.3Å; Q125-N127 PolarHBondContact OE1-ND2 3.01Å
126G93.6Very high94.7Very high60 Ų6050.1 Ų50.162%0.61928%0.283SS*.THydrogen-bonded Turntrans75.615.4-174.500000114.3A122 C123 L128A122-G126 PolarHBondContact O-N 3.38Å; A122-G126 VanDerWaalsContact O-N 3.07Å; C123-G126 PolarHBondContact O-N 2.84Å; G126-L128 VanDerWaalsContact C-N 3.34Å
127N95.1Very high93.8Very high119 Ų11954.9 Ų54.964%0.63630%0.304SS*.  trans-84.2-9.1179.5-71.2-13.3000113.1A122 Q125A122-N127 HydrophobicContact CB-CB 4.36Å; A122-N127 PolarHBondContact O-N 3.29Å; Q125-N127 VanDerWaalsContact C-N 3.3Å; Q125-N127 PolarHBondContact OE1-ND2 3.01Å
128L95.4Very high92.8Very high7 Ų759.2 Ų59.24%0.03732%0.324CS..SBendtrans-122.9134.2179.5-173.462.3000111D57 A58 V61 V119 A122 G126D57-L128 HydrophobicContact CB-CD1 4.23Å; D57-L128 VanDerWaalsContact OD2-CD1 3.24Å; D57-L128 WeakPolarHBondContact OD2-CD1 3.3Å; A58-L128 HydrophobicContact CB-CD1 3.94Å; V61-L128 HydrophobicContact CG2-CD1 4.24Å; V119-L128 HydrophobicContact CG1-CD2 4.01Å; A122-L128 HydrophobicContact CB-CB 3.91Å; A122-L128 PolarHBondContact O-N 3.45Å; G126-L128 VanDerWaalsContact C-N 3.34Å
129S93.7Very high91.5Very high58 Ų5862 Ų6241%0.40635%0.353SS..THydrogen-bonded Turntrans-77164.5-178.578.60000112.2R55 D57 C131R55-S129 PolarHBondContact NH2-O 3.27Å; D57-S129 WeakPolarHBondContact OD2-CB 3.31Å; D57-S129 PolarHBondContact OD2-N 3.06Å; D57-S129 PolarHBondContact OD2-OG 3.12Å; S129-C131 PolarHBondContact O-N 3.23Å; S129-C131 VanDerWaalsContact O-N 3.09Å
130N92Very high90.7Very high132 Ų13268.1 Ų68.171%0.70638%0.377SS*.THydrogen-bonded Turntrans56.325.7175.8-56.7-38.1000114.9
131C95.5Very high89.7Confident34 Ų3474.2 Ų74.223%0.2340%0.401CS..  trans-151.8170.3169.462.70000109.7C123 S129 Y158C123-C131 VanDerWaalsContact CA-SG 3.52Å; C123-C131 HydrophobicContact CB-CB 3.83Å; C123-C131 WeakPolarHBondContact CB-SG 3.39Å; C123-C131 WeakPolarHBondContact SG-CB 3.46Å; C123-C131 CovalentContact SG-SG 2.03Å; C123-C131 PolarHBondContact SG-SG 3.31Å; S129-C131 PolarHBondContact O-N 3.23Å; S129-C131 VanDerWaalsContact O-N 3.09Å; C131-Y158 HydrophobicContact CB-CD1 3.88Å; C131-Y158 HydrophobicContact CB-CD2 4.35Å; C131-Y158 HydrophobicContact CB-CE1 3.4Å; C131-Y158 VanDerWaalsContact CB-CE1 3.4Å; C131-Y158 HydrophobicContact CB-CE2 3.91Å; C131-Y158 HydrophobicContact CB-CG 4.34Å; C131-Y158 VanDerWaalsContact CB-CZ 3.42Å
132G93.4Very high88.8Confident32 Ų3274.5 Ų74.533%0.3340%0.4SS..  trans-156.5-169.8175.300000110
133C92.9Very high87.6Confident21 Ų2182.1 Ų82.114%0.14243%0.434CS..  trans-83161.8170.354.40000112.7R135 C152 S153C133-R135 PolarHBondContact O-N 2.69Å; C133-C152 HydrophobicContact CB-CB 3.9Å; C133-C152 WeakPolarHBondContact CB-SG 3.03Å; C133-C152 VanDerWaalsContact SG-CA 3.56Å; C133-C152 WeakPolarHBondContact SG-CB 3.33Å; C133-C152 CovalentContact SG-SG 1.98Å; C133-C152 PolarHBondContact SG-SG 2.97Å; C133-S153 CarbonylContact C-O 3.57Å; C133-S153 WeakPolarHBondContact CA-O 3.45Å; C133-S153 WeakPolarHBondContact CB-O 3.42Å
134D91.2Very high86.7Confident37 Ų3790.9 Ų90.920%0.19848%0.475CS..BIsolated β-bridgetrans-69.5124.5171.3179.311.4000110.2E136 S153 D155D134-E136 VanDerWaalsContact OD1-CB 3.25Å; D134-E136 WeakPolarHBondContact OD1-CB 3.39Å; D134-E136 VanDerWaalsContact OD1-CG 3.3Å; D134-E136 WeakPolarHBondContact OD1-CG 3.44Å; D134-E136 PolarHBondContact OD1-N 3.38Å; D134-S153 PolarHBondContact N-O 3.26Å; D134-S153 PolarHBondContact O-N 2.68Å; D134-D155 HydrophobicContact CB-CB 4.13Å
135R87.5Confident85.8Confident170 Ų17094.8 Ų94.864%0.64249%0.489SS*.  trans-116.94.3176.5-63-175.2-179.6-175.7-0.7112.6C133 K137 Q138C133-R135 PolarHBondContact O-N 2.69Å; R135-K137 PolarHBondContact O-N 2.83Å; R135-Q138 HydrophobicContact CB-CB 4.47Å; R135-Q138 WeakPolarHBondContact O-CB 3.05Å; R135-Q138 PolarHBondContact O-N 3.48Å
136E84.9Confident84.9Confident154 Ų15490 Ų9072%0.7247%0.474SS*.THydrogen-bonded Turntrans-57.6-36.4-175.6-70.1-179.417900112.1D134D134-E136 VanDerWaalsContact OD1-CB 3.25Å; D134-E136 WeakPolarHBondContact OD1-CB 3.39Å; D134-E136 VanDerWaalsContact OD1-CG 3.3Å; D134-E136 WeakPolarHBondContact OD1-CG 3.44Å; D134-E136 PolarHBondContact OD1-N 3.38Å
137K81.3Confident84.3Confident100 Ų10087.7 Ų87.744%0.43545%0.447SS..THydrogen-bonded Turntrans-924.3-179.8-65.4178.7-179.4-179.80113.9R135 G139 Y140 W149R135-K137 PolarHBondContact O-N 2.83Å; K137-G139 PolarHBondContact O-N 2.86Å; K137-Y140 VanDerWaalsContact O-CB 3.22Å; K137-Y140 WeakPolarHBondContact O-CB 3.42Å; K137-Y140 PolarHBondContact O-N 3.01Å; K137-W149 VanDerWaalsContact C-CD1 3.47Å; K137-W149 HydrophobicContact CB-CD2 3.45Å; K137-W149 VanDerWaalsContact CB-CD2 3.45Å; K137-W149 VanDerWaalsContact CB-CE2 3.41Å; K137-W149 HydrophobicContact CB-CE3 3.97Å; K137-W149 HydrophobicContact CB-CG 3.7Å; K137-W149 HydrophobicContact CB-CH2 4.43Å; K137-W149 HydrophobicContact CB-CZ2 3.9Å; K137-W149 HydrophobicContact CB-CZ3 4.46Å; K137-W149 HydrophobicContact CD-CD2 4.11Å; K137-W149 HydrophobicContact CD-CE3 3.87Å; K137-W149 HydrophobicContact CD-CH2 3.39Å; K137-W149 HydrophobicContact CD-CZ2 3.56Å; K137-W149 HydrophobicContact CD-CZ3 3.55Å; K137-W149 HydrophobicContact CG-CD2 4.43Å; K137-W149 HydrophobicContact CG-CZ2 4.33Å; K137-W149 WeakPolarHBondContact O-CB 3.21Å
138Q75.9Confident83.8Confident114 Ų11487.5 Ų87.553%0.53344%0.44SS..THydrogen-bonded Turntrans-60122.8-177.7-172.8175.7-10.900110.9R135R135-Q138 HydrophobicContact CB-CB 4.47Å; R135-Q138 WeakPolarHBondContact O-CB 3.05Å; R135-Q138 PolarHBondContact O-N 3.48Å
139G71.6Confident83.3Confident65 Ų6588 Ų8867%0.6744%0.442SS*.THydrogen-bonded Turntrans87.3-3.8-178.100000115.1K137 Y141K137-G139 PolarHBondContact O-N 2.86Å; G139-Y141 PolarHBondContact O-N 2.73Å
140Y81.6Confident82.6Confident129 Ų12985.6 Ų85.651%0.50643%0.426SS..  trans-60.2133.2172.1179-97.4000110.8K137 N142 W147 K148 W149K137-Y140 VanDerWaalsContact O-CB 3.22Å; K137-Y140 WeakPolarHBondContact O-CB 3.42Å; K137-Y140 PolarHBondContact O-N 3.01Å; Y140-N142 HydrophobicContact CE1-CB 4.07Å; Y140-W147 HydrophobicContact CD1-CH2 4.5Å; Y140-K148 CarbonylContact O-C 3.6Å; Y140-W149 WeakPolarHBondContact O-CB 3.43Å; Y140-W149 PolarHBondContact O-N 3.19Å
141Y77.5Confident81.9Confident130 Ų13081.3 Ų81.351%0.5141%0.414SS..EExtended strand (participates in β ladder)trans-119.8120.8177-177.3-108.6000109.4G139 Q143 W147 K148G139-Y141 PolarHBondContact O-N 2.73Å; Y141-Q143 HydrophobicContact CD1-CG 3.71Å; Y141-Q143 HydrophobicContact CE1-CB 4.38Å; Y141-Q143 HydrophobicContact CE1-CG 3.82Å; Y141-Q143 PolarHBondContact O-N 2.9Å; Y141-W147 WeakPolarHBondContact CD2-O 3.37Å; Y141-K148 HydrophobicContact CD2-CB 4.02Å
142N78Confident81.4Confident25 Ų2582.4 Ų82.413%0.13442%0.421CS..EExtended strand (participates in β ladder)trans-85.4106.6171.6-171.1-20.7000108.6Y140 E144 E145 G146 W147Y140-N142 HydrophobicContact CE1-CB 4.07Å; N142-E144 PolarHBondContact OD1-N 2.87Å; N142-E144 VanDerWaalsContact OD1-N 3.12Å; N142-E145 PolarHBondContact ND2-OE2 2.94Å; N142-E145 PolarHBondContact OD1-N 2.96Å; N142-G146 WeakPolarHBondContact O-CA 3.49Å; N142-G146 PolarHBondContact O-N 2.71Å; N142-W147 HydrophobicContact CB-CD2 4.19Å; N142-W147 HydrophobicContact CB-CG 4.44Å; N142-W147 HydrophobicContact CB-CZ2 4.07Å; N142-W147 PolarHBondContact N-O 3.27Å; N142-W147 PolarHBondContact O-N 2.03Å
143Q74.3Confident81.3Confident166 Ų16680.9 Ų80.978%0.77641%0.406SS*.THydrogen-bonded Turntrans-67.4-36.9-179.8-71.1-178-18.100112.7Y141Y141-Q143 HydrophobicContact CD1-CG 3.71Å; Y141-Q143 HydrophobicContact CE1-CB 4.38Å; Y141-Q143 HydrophobicContact CE1-CG 3.82Å; Y141-Q143 PolarHBondContact O-N 2.9Å
144E76.3Confident81.4Confident188 Ų18880.5 Ų80.588%0.87940%0.404SS*.THydrogen-bonded Turntrans-71-40.8-177-64.6-178.4170.100111.8N142N142-E144 PolarHBondContact OD1-N 2.87Å; N142-E144 VanDerWaalsContact OD1-N 3.12Å
145E75.7Confident81.6Confident119 Ų11980.9 Ų80.956%0.55641%0.406SS*.THydrogen-bonded Turntrans-98.3-0.2-178.1-61.6-173.2148.600113.8N142 W147N142-E145 PolarHBondContact ND2-OE2 2.94Å; N142-E145 PolarHBondContact OD1-N 2.96Å; E145-W147 PolarHBondContact O-N 2.82Å; E145-W147 PolarHBondContact OE2-NE1 2.96Å
146G76.5Confident82.1Confident29 Ų2973.6 Ų73.630%0.29938%0.38SS..THydrogen-bonded Turntrans66.727.7172.100000115.9N142N142-G146 WeakPolarHBondContact O-CA 3.49Å; N142-G146 PolarHBondContact O-N 2.71Å
147W80Confident82.7Confident13 Ų1374.2 Ų74.25%0.04938%0.375CS..EExtended strand (participates in β ladder)trans-127.3154.1-177.866.2-94.5000114Y140 Y141 N142 E145 W149 L198 K212 C214Y140-W147 HydrophobicContact CD1-CH2 4.5Å; Y141-W147 WeakPolarHBondContact CD2-O 3.37Å; N142-W147 HydrophobicContact CB-CD2 4.19Å; N142-W147 HydrophobicContact CB-CG 4.44Å; N142-W147 HydrophobicContact CB-CZ2 4.07Å; N142-W147 PolarHBondContact N-O 3.27Å; N142-W147 PolarHBondContact O-N 2.03Å; E145-W147 PolarHBondContact O-N 2.82Å; E145-W147 PolarHBondContact OE2-NE1 2.96Å; W147-W149 AromaticContact CH2-CE3 3.64Å; W147-W149 HydrophobicContact CH2-CE3 3.64Å; W147-W149 AromaticContact CH2-CZ3 3.93Å; W147-W149 HydrophobicContact CH2-CZ3 3.93Å; W147-W149 HydrophobicContact CZ3-CB 4.33Å; W147-W149 HydrophobicContact CZ3-CD2 4.43Å; W147-W149 AromaticContact CZ3-CE3 3.58Å; W147-W149 HydrophobicContact CZ3-CE3 3.58Å; W147-W149 HydrophobicContact CZ3-CZ3 4.25Å; W147-L198 HydrophobicContact CH2-CD1 4.44Å; W147-L198 HydrophobicContact CH2-CD2 4.41Å; W147-L198 HydrophobicContact CZ2-CD2 4.15Å; W147-K212 HydrophobicContact CB-CD 4.14Å; W147-K212 HydrophobicContact CB-CG 3.36Å; W147-K212 WeakPolarHBondContact CB-O 3.42Å; W147-K212 VanDerWaalsContact CD1-CE 3.43Å; W147-K212 HydrophobicContact CG-CG 4.23Å; W147-C214 HydrophobicContact CD2-CB 4.23Å; W147-C214 HydrophobicContact CE3-CB 3.6Å; W147-C214 VanDerWaalsContact CE3-SG 3.59Å; W147-C214 HydrophobicContact CH2-CB 4.39Å; W147-C214 HydrophobicContact CZ3-CB 3.7Å
148K84.5Confident83.4Confident114 Ų11471.7 Ų71.750%0.49636%0.363SS..EExtended strand (participates in β ladder)trans-109.2144.2178.468.1-178-178.7-178.80111.5Y140 Y141 G150 K212 T213 C214Y140-K148 CarbonylContact O-C 3.6Å; Y141-K148 HydrophobicContact CD2-CB 4.02Å; K148-G150 PolarHBondContact O-N 3.11Å; K148-K212 PolarHBondContact N-O 3.1Å; K148-K212 VanDerWaalsContact N-O 3.15Å; K148-T213 VanDerWaalsContact CE-OG1 3.32Å; K148-T213 WeakPolarHBondContact CE-OG1 3.49Å; K148-T213 VanDerWaalsContact O-CA 3.31Å; K148-T213 WeakPolarHBondContact O-CA 3.28Å; K148-C214 PolarHBondContact O-N 2.03Å
149W85Confident84.5Confident17 Ų1766.2 Ų66.26%0.06434%0.338CS..EExtended strand (participates in β ladder)trans-68.5132.3172.1-163.3-87.7000110.5K137 Y140 W147 S153 L198 T216K137-W149 VanDerWaalsContact C-CD1 3.47Å; K137-W149 HydrophobicContact CB-CD2 3.45Å; K137-W149 VanDerWaalsContact CB-CD2 3.45Å; K137-W149 VanDerWaalsContact CB-CE2 3.41Å; K137-W149 HydrophobicContact CB-CE3 3.97Å; K137-W149 HydrophobicContact CB-CG 3.7Å; K137-W149 HydrophobicContact CB-CH2 4.43Å; K137-W149 HydrophobicContact CB-CZ2 3.9Å; K137-W149 HydrophobicContact CB-CZ3 4.46Å; K137-W149 HydrophobicContact CD-CD2 4.11Å; K137-W149 HydrophobicContact CD-CE3 3.87Å; K137-W149 HydrophobicContact CD-CH2 3.39Å; K137-W149 HydrophobicContact CD-CZ2 3.56Å; K137-W149 HydrophobicContact CD-CZ3 3.55Å; K137-W149 HydrophobicContact CG-CD2 4.43Å; K137-W149 HydrophobicContact CG-CZ2 4.33Å; K137-W149 WeakPolarHBondContact O-CB 3.21Å; Y140-W149 WeakPolarHBondContact O-CB 3.43Å; Y140-W149 PolarHBondContact O-N 3.19Å; W147-W149 AromaticContact CH2-CE3 3.64Å; W147-W149 HydrophobicContact CH2-CE3 3.64Å; W147-W149 AromaticContact CH2-CZ3 3.93Å; W147-W149 HydrophobicContact CH2-CZ3 3.93Å; W147-W149 HydrophobicContact CZ3-CB 4.33Å; W147-W149 HydrophobicContact CZ3-CD2 4.43Å; W147-W149 AromaticContact CZ3-CE3 3.58Å; W147-W149 HydrophobicContact CZ3-CE3 3.58Å; W147-W149 HydrophobicContact CZ3-CZ3 4.25Å; W149-S153 WeakPolarHBondContact CZ2-OG 3.48Å; W149-S153 PolarHBondContact NE1-OG 3.46Å; W149-L198 HydrophobicContact CH2-CD1 3.96Å; W149-L198 HydrophobicContact CZ3-CD1 3.67Å; W149-T216 WeakPolarHBondContact CH2-OG1 3.46Å
150G79.3Confident85.8Confident8 Ų863.8 Ų63.88%0.08231%0.309CS..  trans-102.9125-177.700000112.7K148 C152 C214K148-G150 PolarHBondContact O-N 3.11Å; G150-C152 PolarHBondContact O-N 3.17Å; G150-C152 VanDerWaalsContact O-N 3.16Å; G150-C214 PolarHBondContact N-O 3.05Å
151G76.8Confident86.6Confident43 Ų4363.9 Ų63.944%0.44331%0.314SS..SBendtrans51-117.4158.500000114.9
152C85Confident87.5Confident57 Ų5758.1 Ų58.139%0.38529%0.292SS..  trans-125.3113.1-153.9173.70000108.3C133 G150C133-C152 HydrophobicContact CB-CB 3.9Å; C133-C152 WeakPolarHBondContact CB-SG 3.03Å; C133-C152 VanDerWaalsContact SG-CA 3.56Å; C133-C152 WeakPolarHBondContact SG-CB 3.33Å; C133-C152 CovalentContact SG-SG 1.98Å; C133-C152 PolarHBondContact SG-SG 2.97Å; G150-C152 PolarHBondContact O-N 3.17Å; G150-C152 VanDerWaalsContact O-N 3.16Å
153S92.4Very high88.5Confident0 Ų056.9 Ų56.90%029%0.285CS..BIsolated β-bridgetrans-98.9150.3-176.8-72.10000112.5C133 D134 W149 D155 T216C133-S153 CarbonylContact C-O 3.57Å; C133-S153 WeakPolarHBondContact CA-O 3.45Å; C133-S153 WeakPolarHBondContact CB-O 3.42Å; D134-S153 PolarHBondContact N-O 3.26Å; D134-S153 PolarHBondContact O-N 2.68Å; W149-S153 WeakPolarHBondContact CZ2-OG 3.48Å; W149-S153 PolarHBondContact NE1-OG 3.46Å; S153-D155 PolarHBondContact O-N 3.48Å; S153-D155 VanDerWaalsContact O-N 3.08Å; S153-T216 PolarHBondContact OG-N 2.99Å; S153-T216 VanDerWaalsContact OG-N 3.14Å
154A94.1Very high89.6Confident13 Ų1354.3 Ų54.311%0.10727%0.268CS..  trans-64.2112.2178.700000111.2T120 S124 I156 M196 T216 L218T120-A154 HydrophobicContact CG2-CB 3.86Å; S124-A154 WeakPolarHBondContact OG-CA 3.38Å; A154-I156 VanDerWaalsContact C-N 3.31Å; A154-I156 PolarHBondContact O-N 3.08Å; A154-M196 HydrophobicContact CB-CE 3.69Å; A154-T216 PolarHBondContact N-O 3.46Å; A154-L218 HydrophobicContact CB-CG 4.2Å
155D95.7Very high90.7Very high45 Ų4551.5 Ų51.524%0.24125%0.25CC..  trans-78.679.4176.2-175.8-0.9000110.8D134 S153 R157 Y158 G159D134-D155 HydrophobicContact CB-CB 4.13Å; S153-D155 PolarHBondContact O-N 3.48Å; S153-D155 VanDerWaalsContact O-N 3.08Å; D155-R157 PolarHBondContact O-N 2.85Å; D155-R157 WeakPolarHBondContact OD1-CB 3Å; D155-R157 PolarHBondContact OD1-N 2.97Å; D155-Y158 PolarHBondContact O-N 2.86Å; D155-Y158 PolarHBondContact OD1-N 3.32Å; D155-Y158 VanDerWaalsContact OD1-N 3.09Å; D155-Y158 WeakPolarHBondContact OD2-CB 3.39Å; D155-G159 PolarHBondContact O-N 3.42Å
156I97.2Very high91.7Very high17 Ų1746 Ų469%0.08722%0.224CC..Hα-helixtrans-63.2-29178.6-174.360.4000112.4A154 G159 I160 L192 M196 L218A154-I156 VanDerWaalsContact C-N 3.31Å; A154-I156 PolarHBondContact O-N 3.08Å; I156-G159 PolarHBondContact O-N 3.01Å; I156-I160 HydrophobicContact CD1-CD1 4.23Å; I156-I160 HydrophobicContact CD1-CG1 4.13Å; I156-I160 HydrophobicContact CG1-CD1 3.73Å; I156-I160 HydrophobicContact CG1-CG1 4.09Å; I156-I160 WeakPolarHBondContact O-CB 3.35Å; I156-I160 WeakPolarHBondContact O-CG1 2.99Å; I156-I160 PolarHBondContact O-N 2.85Å; I156-L192 HydrophobicContact CD1-CD2 3.59Å; I156-L192 HydrophobicContact CD1-CG 3.72Å; I156-M196 HydrophobicContact CB-CE 3.87Å; I156-M196 HydrophobicContact CB-CG 4.21Å; I156-M196 HydrophobicContact CB-SD 3.84Å; I156-M196 HydrophobicContact CD1-SD 4.15Å; I156-M196 HydrophobicContact CG1-CG 4.26Å; I156-M196 HydrophobicContact CG1-SD 3.92Å; I156-M196 HydrophobicContact CG2-CE 4.22Å; I156-M196 HydrophobicContact CG2-CG 4.02Å; I156-M196 HydrophobicContact CG2-SD 4.3Å; I156-L218 HydrophobicContact CD1-CD2 3.98Å
157R96.9Very high92.6Very high166 Ų16645.2 Ų45.263%0.62621%0.213SC*.Hα-helixtrans-63.6-47.2-178.5-70.6172.252-167.2-8.3110.2D155 G159 I160 E161D155-R157 PolarHBondContact O-N 2.85Å; D155-R157 WeakPolarHBondContact OD1-CB 3Å; D155-R157 PolarHBondContact OD1-N 2.97Å; R157-G159 PolarHBondContact O-N 3.46Å; R157-I160 PolarHBondContact O-N 3.43Å; R157-E161 PolarHBondContact O-N 2.9Å
158Y97.4Very high93.4Very high47 Ų4746 Ų4618%0.18422%0.218CC..Hα-helixtrans-59.8-45.3174.8179.4-88000111.7R55 V119 C123 C131 D155 I160 E161 F162R55-Y158 PolarHBondContact NH1-OH 3.22Å; R55-Y158 VanDerWaalsContact NH1-OH 3.14Å; V119-Y158 HydrophobicContact CG1-CD1 4.07Å; V119-Y158 HydrophobicContact CG1-CE1 3.83Å; C123-Y158 WeakPolarHBondContact SG-CE1 3.26Å; C131-Y158 HydrophobicContact CB-CD1 3.88Å; C131-Y158 HydrophobicContact CB-CD2 4.35Å; C131-Y158 HydrophobicContact CB-CE1 3.4Å; C131-Y158 VanDerWaalsContact CB-CE1 3.4Å; C131-Y158 HydrophobicContact CB-CE2 3.91Å; C131-Y158 HydrophobicContact CB-CG 4.34Å; C131-Y158 VanDerWaalsContact CB-CZ 3.42Å; D155-Y158 PolarHBondContact O-N 2.86Å; D155-Y158 PolarHBondContact OD1-N 3.32Å; D155-Y158 VanDerWaalsContact OD1-N 3.09Å; D155-Y158 WeakPolarHBondContact OD2-CB 3.39Å; Y158-I160 PolarHBondContact O-N 3.25Å; Y158-E161 PolarHBondContact O-N 3.15Å; Y158-F162 HydrophobicContact CE1-CB 4.43Å; Y158-F162 HydrophobicContact CE1-CD2 4.12Å; Y158-F162 AromaticContact CZ-CD2 3.97Å; Y158-F162 WeakPolarHBondContact O-CB 3.41Å; Y158-F162 PolarHBondContact O-N 2.97Å
159G98Very high94Very high0 Ų041 Ų410%020%0.199CC..Hα-helixtrans-62.8-40.5178.900000113.7T120 D155 I156 R157 F162 S163T120-G159 WeakPolarHBondContact OG1-CA 3.31Å; D155-G159 PolarHBondContact O-N 3.42Å; I156-G159 PolarHBondContact O-N 3.01Å; R157-G159 PolarHBondContact O-N 3.46Å; G159-F162 PolarHBondContact O-N 2.8Å; G159-S163 VanDerWaalsContact O-CB 3.28Å; G159-S163 WeakPolarHBondContact O-CB 3.19Å; G159-S163 PolarHBondContact O-N 3.37Å
160I98.6Very high94.3Very high13 Ų1343 Ų437%0.06721%0.207CC..Hα-helixtrans-63.4-46.3174.4-75.6174.4000110.9A116 I156 R157 Y158 F162 S163 R164 R189 E193A116-I160 HydrophobicContact CB-CG1 4.3Å; I156-I160 HydrophobicContact CD1-CD1 4.23Å; I156-I160 HydrophobicContact CD1-CG1 4.13Å; I156-I160 HydrophobicContact CG1-CD1 3.73Å; I156-I160 HydrophobicContact CG1-CG1 4.09Å; I156-I160 WeakPolarHBondContact O-CB 3.35Å; I156-I160 WeakPolarHBondContact O-CG1 2.99Å; I156-I160 PolarHBondContact O-N 2.85Å; R157-I160 PolarHBondContact O-N 3.43Å; Y158-I160 PolarHBondContact O-N 3.25Å; I160-F162 VanDerWaalsContact C-N 3.35Å; I160-F162 PolarHBondContact O-N 3.3Å; I160-S163 PolarHBondContact O-N 2.85Å; I160-R164 WeakPolarHBondContact O-CB 3.43Å; I160-R164 PolarHBondContact O-N 3.2Å; I160-R189 HydrophobicContact CG1-CB 4.2Å; I160-R189 HydrophobicContact CG2-CB 4.36Å; I160-E193 HydrophobicContact CD1-CB 3.72Å; I160-E193 HydrophobicContact CD1-CG 4Å
161E98.3Very high95Very high131 Ų13143.2 Ų43.261%0.61221%0.206SC*.Hα-helixtrans-62.3-44178.4-172.3-175.9165.700111.4R157 Y158 R164 R165R157-E161 PolarHBondContact O-N 2.9Å; Y158-E161 PolarHBondContact O-N 3.15Å; E161-R164 WeakPolarHBondContact O-CB 3.46Å; E161-R164 PolarHBondContact O-N 2.86Å; E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 PolarHBondContact O-N 3.49Å
162F98.1Very high95.6Very high9 Ų945.1 Ų45.14%0.03920%0.204CC..Hα-helixtrans-64.6-45.8178.1-159.3-71.1000111.4R55 A58 I62 V119 Y158 G159 I160 R164 R165 F166R55-F162 HydrophobicContact CB-CZ 4.37Å; R55-F162 HydrophobicContact CG-CE2 4.48Å; A58-F162 HydrophobicContact CB-CE1 3.98Å; A58-F162 HydrophobicContact CB-CE2 4.17Å; A58-F162 HydrophobicContact CB-CZ 3.41Å; A58-F162 VanDerWaalsContact CB-CZ 3.41Å; I62-F162 HydrophobicContact CD1-CD1 4.44Å; I62-F162 HydrophobicContact CD1-CE1 3.56Å; I62-F162 HydrophobicContact CD1-CZ 4.36Å; I62-F162 HydrophobicContact CG1-CE1 4.03Å; V119-F162 HydrophobicContact CG1-CB 4Å; V119-F162 HydrophobicContact CG1-CG 4.15Å; V119-F162 HydrophobicContact CG2-CD1 4.13Å; Y158-F162 HydrophobicContact CE1-CB 4.43Å; Y158-F162 HydrophobicContact CE1-CD2 4.12Å; Y158-F162 AromaticContact CZ-CD2 3.97Å; Y158-F162 WeakPolarHBondContact O-CB 3.41Å; Y158-F162 PolarHBondContact O-N 2.97Å; G159-F162 PolarHBondContact O-N 2.8Å; I160-F162 VanDerWaalsContact C-N 3.35Å; I160-F162 PolarHBondContact O-N 3.3Å; F162-R164 VanDerWaalsContact C-N 3.32Å; F162-R164 PolarHBondContact O-N 3Å; F162-R165 PolarHBondContact O-N 3.33Å; F162-F166 PolarHBondContact O-N 2.8Å
163S98.4Very high95.8Very high0 Ų049.8 Ų49.80%022%0.218CC..Hα-helixtrans-57.7-44.6173.9175.80000111.1A112 G159 I160 F166 V167A112-S163 PolarHBondContact O-OG 3.49Å; G159-S163 VanDerWaalsContact O-CB 3.28Å; G159-S163 WeakPolarHBondContact O-CB 3.19Å; G159-S163 PolarHBondContact O-N 3.37Å; I160-S163 PolarHBondContact O-N 2.85Å; S163-F166 PolarHBondContact O-N 3.47Å; S163-V167 VanDerWaalsContact O-CB 3.25Å; S163-V167 WeakPolarHBondContact O-CB 3.33Å; S163-V167 WeakPolarHBondContact O-CG2 3.44Å; S163-V167 PolarHBondContact O-N 3.5Å
164R98.3Very high95.5Very high111 Ų11157 Ų5742%0.41925%0.25SC..Hα-helixtrans-58.2-49.5174-171.3178.8-70155.9-0.2112.1I160 E161 F162 F166 D168 E186I160-R164 WeakPolarHBondContact O-CB 3.43Å; I160-R164 PolarHBondContact O-N 3.2Å; E161-R164 WeakPolarHBondContact O-CB 3.46Å; E161-R164 PolarHBondContact O-N 2.86Å; F162-R164 VanDerWaalsContact C-N 3.32Å; F162-R164 PolarHBondContact O-N 3Å; R164-F166 VanDerWaalsContact C-N 3.3Å; R164-F166 PolarHBondContact O-N 3.42Å; R164-D168 WeakPolarHBondContact CG-OD2 3.24Å; R164-D168 WeakPolarHBondContact O-CB 3.45Å; R164-D168 PolarHBondContact O-N 3.34Å; R164-E186 IonicContact CZ-OE1 2.73Å; R164-E186 IonicContact CZ-OE2 3.56Å; R164-E186 IonicContact NE-OE2 2.74Å; R164-E186 PolarHBondContact NE-OE2 3.48Å; R164-E186 IonicContact NH2-OE1 3.52Å; R164-E186 PolarHBondContact NH2-OE1 3.03Å; R164-E186 IonicContact NH2-OE2 2.64Å; R164-E186 PolarHBondContact NH2-OE2 3.28Å
165R97.6Very high95.3Very high129 Ų12959.4 Ų59.449%0.48726%0.261SS..Hα-helixtrans-59.9-39.6179.3-179.4177.7153.3-176.2-7.3112.2I51 S54 E161 F162 A169I51-R165 HydrophobicContact CD1-CG 3.86Å; I51-R165 WeakPolarHBondContact CD1-O 3.3Å; I51-R165 HydrophobicContact CG1-CG 4.39Å; S54-R165 PolarHBondContact OG-NH2 3.15Å; E161-R165 WeakPolarHBondContact O-CB 3.47Å; E161-R165 PolarHBondContact O-N 3.49Å; F162-R165 PolarHBondContact O-N 3.33Å; R165-A169 VanDerWaalsContact O-CB 3.3Å; R165-A169 WeakPolarHBondContact O-CB 3.44Å
166F97.2Very high95.2Very high3 Ų358.1 Ų58.11%0.01326%0.257CS..Hα-helixtrans-90.4-51.6-175.7-176.5-88.8000114.5L44 Q48 I51 I59 I62 F93 F162 S163 R164 A169L44-F166 HydrophobicContact CD2-CE2 4.3Å; L44-F166 HydrophobicContact CD2-CZ 3.7Å; Q48-F166 HydrophobicContact CB-CD2 4.31Å; Q48-F166 HydrophobicContact CB-CE2 3.78Å; Q48-F166 HydrophobicContact CB-CZ 4.05Å; Q48-F166 HydrophobicContact CG-CD2 4.34Å; Q48-F166 HydrophobicContact CG-CE1 4.43Å; Q48-F166 HydrophobicContact CG-CE2 4.13Å; Q48-F166 HydrophobicContact CG-CZ 4.18Å; Q48-F166 VanDerWaalsContact CG-O 3.31Å; Q48-F166 WeakPolarHBondContact CG-O 3.21Å; Q48-F166 PolarHBondContact NE2-O 2.93Å; Q48-F166 VanDerWaalsContact NE2-O 3.09Å; I51-F166 HydrophobicContact CB-CD2 4.27Å; I51-F166 HydrophobicContact CD1-CD2 4.48Å; I51-F166 HydrophobicContact CG2-CD2 4.01Å; I59-F166 HydrophobicContact CD1-CE2 3.72Å; I59-F166 HydrophobicContact CD1-CZ 3.67Å; I62-F166 HydrophobicContact CD1-CB 4.4Å; I62-F166 HydrophobicContact CD1-CD1 4.25Å; I62-F166 HydrophobicContact CD1-CD2 3.72Å; I62-F166 HydrophobicContact CD1-CE2 3.98Å; I62-F166 HydrophobicContact CD1-CG 3.85Å; I62-F166 HydrophobicContact CD1-CZ 4.36Å; I62-F166 HydrophobicContact CG2-CD1 3.51Å; I62-F166 HydrophobicContact CG2-CE1 3.38Å; I62-F166 HydrophobicContact CG2-CG 4.19Å; I62-F166 HydrophobicContact CG2-CZ 3.94Å; F93-F166 HydrophobicContact CD1-CE1 4.04Å; F93-F166 HydrophobicContact CD1-CZ 4.19Å; F93-F166 HydrophobicContact CE1-CE1 4.12Å; F93-F166 HydrophobicContact CE1-CZ 4.21Å; F162-F166 PolarHBondContact O-N 2.8Å; S163-F166 PolarHBondContact O-N 3.47Å; R164-F166 VanDerWaalsContact C-N 3.3Å; R164-F166 PolarHBondContact O-N 3.42Å; F166-A169 WeakPolarHBondContact O-CB 3.41Å; F166-A169 PolarHBondContact O-N 3.33Å
167V96.6Very high95Very high13 Ų1358.6 Ų58.68%0.07926%0.257CS..Hα-helixtrans-67.6-41.8-174.3-178.10000110.1A112 V115 S163 A169 R170A112-V167 HydrophobicContact CB-CG1 4.26Å; V115-V167 HydrophobicContact CB-CG2 4.05Å; V115-V167 HydrophobicContact CG1-CG2 4.14Å; V115-V167 HydrophobicContact CG2-CG2 3.96Å; S163-V167 VanDerWaalsContact O-CB 3.25Å; S163-V167 WeakPolarHBondContact O-CB 3.33Å; S163-V167 WeakPolarHBondContact O-CG2 3.44Å; S163-V167 PolarHBondContact O-N 3.5Å; V167-A169 VanDerWaalsContact C-N 3.27Å; V167-A169 PolarHBondContact O-N 2.86Å; V167-R170 WeakPolarHBondContact O-CG 3.45Å
168D96.5Very high94.9Very high29 Ų2954.6 Ų54.616%0.15524%0.242CC..G310 helixtrans-77.7-13.4-178.5-56-0.3000112.2R164 R170 E171 L182 N185 R189R164-D168 WeakPolarHBondContact CG-OD2 3.24Å; R164-D168 WeakPolarHBondContact O-CB 3.45Å; R164-D168 PolarHBondContact O-N 3.34Å; D168-R170 PolarHBondContact O-N 3.38Å; D168-R170 VanDerWaalsContact O-N 3.14Å; D168-E171 WeakPolarHBondContact O-CB 3.35Å; D168-E171 PolarHBondContact O-N 3.38Å; D168-L182 HydrophobicContact CB-CD2 3.52Å; D168-N185 PolarHBondContact OD1-ND2 2.64Å; D168-R189 IonicContact OD1-CZ 3.65Å; D168-R189 IonicContact OD1-NH1 2.8Å; D168-R189 PolarHBondContact OD1-NH1 3.19Å; D168-R189 IonicContact OD1-NH2 3.48Å; D168-R189 IonicContact OD2-CZ 3.72Å; D168-R189 IonicContact OD2-NH1 2.96Å; D168-R189 PolarHBondContact OD2-NH1 3.14Å; D168-R189 IonicContact OD2-NH2 2.8Å; D168-R189 PolarHBondContact OD2-NH2 2.97Å
169A95.9Very high94.8Very high11 Ų1153.8 Ų53.89%0.09124%0.241CC..G310 helixtrans-64-19.2-179.700000113.8R47 Q48 I51 R165 F166 V167R47-A169 HydrophobicContact CB-CB 3.79Å; Q48-A169 HydrophobicContact CG-CB 3.85Å; I51-A169 HydrophobicContact CD1-CB 3.97Å; R165-A169 VanDerWaalsContact O-CB 3.3Å; R165-A169 WeakPolarHBondContact O-CB 3.44Å; F166-A169 WeakPolarHBondContact O-CB 3.41Å; F166-A169 PolarHBondContact O-N 3.33Å; V167-A169 VanDerWaalsContact C-N 3.27Å; V167-A169 PolarHBondContact O-N 2.86Å
170R92.7Very high94.7Very high58 Ų5853.8 Ų53.822%0.21924%0.241CC..G310 helixtrans-77.6-21.9172.879.2-177.5-62.1179.84.6113.1A45 F93 G94 V167 D168 I172A45-R170 HydrophobicContact CB-CB 3.92Å; F93-R170 PolarHBondContact O-NH1 3.49Å; G94-R170 PolarHBondContact O-NH2 3.4Å; V167-R170 WeakPolarHBondContact O-CG 3.45Å; D168-R170 PolarHBondContact O-N 3.38Å; D168-R170 VanDerWaalsContact O-N 3.14Å; R170-I172 VanDerWaalsContact C-N 3.32Å; R170-I172 PolarHBondContact O-N 2.86Å
171E93.3Very high94.6Very high13 Ų1353.1 Ų53.16%0.06124%0.238CC..  trans-81.671.8-173.4-60.8-55137.900112Y108 D168 R178 N181 L182Y108-E171 WeakPolarHBondContact CE1-OE1 3.39Å; D168-E171 WeakPolarHBondContact O-CB 3.35Å; D168-E171 PolarHBondContact O-N 3.38Å; E171-R178 HydrophobicContact CB-CG 4.17Å; E171-R178 WeakPolarHBondContact O-CD 3.3Å; E171-R178 PolarHBondContact O-NE 3.37Å; E171-N181 VanDerWaalsContact CD-ND2 3.28Å; E171-N181 HydrophobicContact CG-CB 4.16Å; E171-N181 PolarHBondContact OE1-ND2 3.32Å; E171-N181 WeakPolarHBondContact OE2-CB 3.04Å; E171-N181 PolarHBondContact OE2-ND2 3.4Å; E171-L182 HydrophobicContact CB-CD2 3.94Å; E171-L182 HydrophobicContact CB-CG 4.21Å; E171-L182 HydrophobicContact CG-CD2 4Å; E171-L182 HydrophobicContact CG-CG 4.33Å
172I89.9Confident94.6Very high82 Ų8248.6 Ų48.642%0.42122%0.217SC..  trans-93.9-39.4-173.4-58165.8000112R170 K174R170-I172 VanDerWaalsContact C-N 3.32Å; R170-I172 PolarHBondContact O-N 2.86Å; I172-K174 PolarHBondContact O-N 3.39Å
173K87.8Confident94.6Very high155 Ų15550 Ų5067%0.67422%0.224SC*.SBendtrans-65.4122.6-172.7-66.9-179.6-179173.80110.6N175 R178K173-N175 PolarHBondContact O-N 2.87Å; K173-N175 PolarHBondContact O-OD1 3.13Å; K173-R178 WeakPolarHBondContact O-CB 3.3Å; K173-R178 WeakPolarHBondContact O-CD 3.47Å
174K86.2Confident94.6Very high152 Ų15250 Ų5066%0.66122%0.224SC*.  trans-77.566.8178.9-65.1-174179.1-176.60112.2I172I172-K174 PolarHBondContact O-N 3.39Å
175N91Very high94.6Very high63 Ų6344.7 Ų44.734%0.33720%0.204SC..SBendtrans-125.4175.9179.164.710.5000111.5K173 R177 R178K173-N175 PolarHBondContact O-N 2.87Å; K173-N175 PolarHBondContact O-OD1 3.13Å; N175-R177 VanDerWaalsContact C-N 3.25Å; N175-R177 PolarHBondContact O-N 3.42Å; N175-R177 WeakPolarHBondContact OD1-CB 3.45Å; N175-R177 PolarHBondContact OD1-N 3.43Å; N175-R178 PolarHBondContact O-N 3.32Å; N175-R178 PolarHBondContact OD1-N 2.97Å
176A92.6Very high94.6Very high19 Ų1941.2 Ų41.216%0.15719%0.193CC..Hα-helixtrans-60.5-37.6176.800000112R178 L179 M180 V240 I271A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 2.88Å; A176-L179 PolarHBondContact O-N 2.83Å; A176-L179 VanDerWaalsContact O-N 3.13Å; A176-M180 PolarHBondContact O-N 3.2Å; A176-M180 VanDerWaalsContact O-N 3.1Å; A176-V240 HydrophobicContact CB-CB 3.84Å; A176-V240 HydrophobicContact CB-CG1 3.87Å; A176-V240 HydrophobicContact CB-CG2 4.37Å; A176-I271 HydrophobicContact CB-CD1 3.78Å; A176-I271 WeakPolarHBondContact O-CD1 3.2Å
177R93.5Very high94.7Very high27 Ų2741 Ų4110%0.10219%0.192CC..Hα-helixtrans-57.7-43.1178.8177.860172.3-164.6-4.7112.2E96 L97 V99 N175 L179 M180 N181E96-R177 IonicContact OE1-NE 3.5Å; L97-R177 PolarHBondContact O-NH2 3.43Å; V99-R177 VanDerWaalsContact C-NH1 3.33Å; V99-R177 PolarHBondContact O-NH1 3.42Å; V99-R177 PolarHBondContact O-NH2 3.1Å; N175-R177 VanDerWaalsContact C-N 3.25Å; N175-R177 PolarHBondContact O-N 3.42Å; N175-R177 WeakPolarHBondContact OD1-CB 3.45Å; N175-R177 PolarHBondContact OD1-N 3.43Å; R177-L179 PolarHBondContact O-N 3.44Å; R177-M180 WeakPolarHBondContact O-CB 3.35Å; R177-M180 PolarHBondContact O-N 2.96Å; R177-N181 WeakPolarHBondContact CD-OD1 3.49Å; R177-N181 PolarHBondContact NE-OD1 3.14Å; R177-N181 VanDerWaalsContact NE-OD1 3.15Å; R177-N181 VanDerWaalsContact O-CG 3.28Å; R177-N181 PolarHBondContact O-N 3.1Å; R177-N181 PolarHBondContact O-OD1 3.18Å
178R94.4Very high94.8Very high81 Ų8140.4 Ų40.431%0.30619%0.189SC..Hα-helixtrans-57.5-45.7174.4164.9172.4-170.9-77-4.3112.4E171 K173 N175 A176 M180 N181 L182E171-R178 HydrophobicContact CB-CG 4.17Å; E171-R178 WeakPolarHBondContact O-CD 3.3Å; E171-R178 PolarHBondContact O-NE 3.37Å; K173-R178 WeakPolarHBondContact O-CB 3.3Å; K173-R178 WeakPolarHBondContact O-CD 3.47Å; N175-R178 PolarHBondContact O-N 3.32Å; N175-R178 PolarHBondContact OD1-N 2.97Å; A176-R178 VanDerWaalsContact C-N 3.34Å; A176-R178 PolarHBondContact O-N 2.88Å; R178-M180 VanDerWaalsContact C-N 3.28Å; R178-M180 PolarHBondContact O-N 3.41Å; R178-N181 PolarHBondContact O-N 3.48Å; R178-L182 HydrophobicContact CG-CD1 3.82Å; R178-L182 HydrophobicContact CG-CG 4.33Å; R178-L182 WeakPolarHBondContact O-CB 3.29Å; R178-L182 VanDerWaalsContact O-CG 3.24Å; R178-L182 WeakPolarHBondContact O-CG 3.45Å; R178-L182 PolarHBondContact O-N 3.04Å
179L95.7Very high94.9Very high30 Ų3039.1 Ų39.116%0.15718%0.182CC..Hα-helixtrans-63.1-39.3179-65.1178.5000111.1A176 R177 H183 V240 P249 L252A176-L179 PolarHBondContact O-N 2.83Å; A176-L179 VanDerWaalsContact O-N 3.13Å; R177-L179 PolarHBondContact O-N 3.44Å; L179-H183 VanDerWaalsContact O-CB 3.3Å; L179-H183 WeakPolarHBondContact O-CB 3.25Å; L179-H183 PolarHBondContact O-N 3.47Å; L179-V240 HydrophobicContact CD1-CG2 4.19Å; L179-P249 HydrophobicContact CD1-CB 3.67Å; L179-P249 HydrophobicContact CG-CB 4.42Å; L179-L252 HydrophobicContact CB-CD1 4.04Å; L179-L252 HydrophobicContact CB-CD2 3.97Å; L179-L252 HydrophobicContact CB-CG 3.9Å; L179-L252 HydrophobicContact CD1-CD2 4.43Å
180M96.6Very high95Very high0 Ų040.9 Ų40.90%019%0.187CC..Hα-helixtrans-63.3-49.4176-168.8-153.58500111.6A104 A176 R177 R178 H183 N184 V269 I271A104-M180 HydrophobicContact CB-CE 4.37Å; A176-M180 PolarHBondContact O-N 3.2Å; A176-M180 VanDerWaalsContact O-N 3.1Å; R177-M180 WeakPolarHBondContact O-CB 3.35Å; R177-M180 PolarHBondContact O-N 2.96Å; R178-M180 VanDerWaalsContact C-N 3.28Å; R178-M180 PolarHBondContact O-N 3.41Å; M180-H183 PolarHBondContact O-N 3.15Å; M180-N184 WeakPolarHBondContact O-CB 3.47Å; M180-N184 PolarHBondContact O-N 3.43Å; M180-N184 PolarHBondContact O-ND2 3.3Å; M180-V269 HydrophobicContact CG-CG2 3.97Å; M180-V269 VanDerWaalsContact CG-O 3.28Å; M180-V269 WeakPolarHBondContact CG-O 3.19Å; M180-I271 HydrophobicContact CB-CD1 3.8Å; M180-I271 HydrophobicContact CB-CG1 4.23Å; M180-I271 HydrophobicContact CG-CD1 4.22Å; M180-I271 HydrophobicContact CG-CG1 4.17Å; M180-I271 HydrophobicContact SD-CB 4.46Å; M180-I271 HydrophobicContact SD-CD1 4.06Å; M180-I271 HydrophobicContact SD-CG1 3.96Å
181N96.5Very high95.3Very high0 Ų038.3 Ų38.30%018%0.178CC..Hα-helixtrans-60.6-47.2179.4-68.5-6.8000111.4Y108 E171 R177 R178 H183 N184 N185Y108-N181 HydrophobicContact CD1-CB 3.93Å; Y108-N181 HydrophobicContact CE1-CB 3.82Å; Y108-N181 HydrophobicContact CE2-CB 4.45Å; Y108-N181 VanDerWaalsContact CE2-OD1 3.26Å; Y108-N181 WeakPolarHBondContact CE2-OD1 3.48Å; Y108-N181 HydrophobicContact CG-CB 4.29Å; Y108-N181 VanDerWaalsContact CZ-ND2 3.31Å; Y108-N181 PolarHBondContact OH-ND2 3.3Å; E171-N181 VanDerWaalsContact CD-ND2 3.28Å; E171-N181 HydrophobicContact CG-CB 4.16Å; E171-N181 PolarHBondContact OE1-ND2 3.32Å; E171-N181 WeakPolarHBondContact OE2-CB 3.04Å; E171-N181 PolarHBondContact OE2-ND2 3.4Å; R177-N181 WeakPolarHBondContact CD-OD1 3.49Å; R177-N181 PolarHBondContact NE-OD1 3.14Å; R177-N181 VanDerWaalsContact NE-OD1 3.15Å; R177-N181 VanDerWaalsContact O-CG 3.28Å; R177-N181 PolarHBondContact O-N 3.1Å; R177-N181 PolarHBondContact O-OD1 3.18Å; R178-N181 PolarHBondContact O-N 3.48Å; N181-H183 PolarHBondContact O-N 3.18Å; N181-N184 PolarHBondContact O-N 2.89Å; N181-N185 WeakPolarHBondContact O-CB 3.22Å; N181-N185 PolarHBondContact O-N 2.96Å; N181-N185 PolarHBondContact O-OD1 3.1Å
182L97.1Very high95.6Very high36 Ų3637.7 Ų37.719%0.18818%0.175CC..Hα-helixtrans-62.7-42.5178.1-69.6175.3000112.5D168 E171 R178 N185 E186D168-L182 HydrophobicContact CB-CD2 3.52Å; E171-L182 HydrophobicContact CB-CD2 3.94Å; E171-L182 HydrophobicContact CB-CG 4.21Å; E171-L182 HydrophobicContact CG-CD2 4Å; E171-L182 HydrophobicContact CG-CG 4.33Å; R178-L182 HydrophobicContact CG-CD1 3.82Å; R178-L182 HydrophobicContact CG-CG 4.33Å; R178-L182 WeakPolarHBondContact O-CB 3.29Å; R178-L182 VanDerWaalsContact O-CG 3.24Å; R178-L182 WeakPolarHBondContact O-CG 3.45Å; R178-L182 PolarHBondContact O-N 3.04Å; L182-N185 PolarHBondContact O-N 3.48Å; L182-E186 WeakPolarHBondContact O-CB 3.11Å; L182-E186 PolarHBondContact O-N 3.23Å
183H98.1Very high96Very high37 Ų3737 Ų3717%0.17117%0.17CC..Hα-helixtrans-59.6-49.1175.3-178.598000110.9L179 M180 N181 E186 A187 L252 M264 D267 V269L179-H183 VanDerWaalsContact O-CB 3.3Å; L179-H183 WeakPolarHBondContact O-CB 3.25Å; L179-H183 PolarHBondContact O-N 3.47Å; M180-H183 PolarHBondContact O-N 3.15Å; N181-H183 PolarHBondContact O-N 3.18Å; H183-E186 PolarHBondContact O-N 2.74Å; H183-A187 WeakPolarHBondContact O-CB 3.38Å; H183-A187 PolarHBondContact O-N 3.02Å; H183-L252 HydrophobicContact CB-CD1 4.26Å; H183-M264 PolarHBondContact CE1-O 2.69Å; H183-M264 PolarHBondContact NE2-O 3.4Å; H183-D267 PolarHBondContact CD2-O 3.41Å; H183-D267 VanDerWaalsContact CD2-O 3.23Å; H183-D267 PolarHBondContact NE2-O 3.02Å; H183-V269 HydrophobicContact CB-CG2 4Å; H183-V269 VanDerWaalsContact CD2-CG2 3.45Å; H183-V269 WeakPolarHBondContact CD2-CG2 3.44Å
184N98.5Very high96.4Very high0 Ų034.8 Ų34.80%016%0.162CC..Hα-helixtrans-66.8-38.4-179-70-42000112.6A105 A109 M180 N181 E186 A187 G188 L268 V269A105-N184 VanDerWaalsContact CA-ND2 3.34Å; A105-N184 WeakPolarHBondContact CA-ND2 3.23Å; A105-N184 VanDerWaalsContact CB-ND2 3.34Å; A105-N184 WeakPolarHBondContact CB-ND2 3.32Å; A109-N184 WeakPolarHBondContact CA-O 3.26Å; A109-N184 VanDerWaalsContact CB-O 3.25Å; A109-N184 WeakPolarHBondContact CB-O 3.41Å; M180-N184 WeakPolarHBondContact O-CB 3.47Å; M180-N184 PolarHBondContact O-N 3.43Å; M180-N184 PolarHBondContact O-ND2 3.3Å; N181-N184 PolarHBondContact O-N 2.89Å; N184-E186 VanDerWaalsContact C-N 3.29Å; N184-E186 PolarHBondContact O-N 3.35Å; N184-A187 PolarHBondContact O-N 3.05Å; N184-G188 PolarHBondContact O-N 3.27Å; N184-L268 WeakPolarHBondContact OD1-CA 3.39Å; N184-V269 PolarHBondContact ND2-O 2.98Å; N184-V269 PolarHBondContact OD1-N 3.17Å
185N98.4Very high96.9Very high0 Ų032.9 Ų32.90%015%0.15CC..Hα-helixtrans-56.8-46.2171.5-72.9-11.2000110.9Y108 A112 D168 N181 L182 G188 R189Y108-N185 VanDerWaalsContact CB-OD1 3.3Å; Y108-N185 WeakPolarHBondContact CB-OD1 3.35Å; Y108-N185 VanDerWaalsContact CD1-OD1 3.3Å; Y108-N185 WeakPolarHBondContact CD1-OD1 3.34Å; Y108-N185 PolarHBondContact O-OD1 2.88Å; Y108-N185 VanDerWaalsContact O-OD1 3.1Å; A112-N185 HydrophobicContact CB-CB 3.81Å; A112-N185 WeakPolarHBondContact CB-O 3.3Å; D168-N185 PolarHBondContact OD1-ND2 2.64Å; N181-N185 WeakPolarHBondContact O-CB 3.22Å; N181-N185 PolarHBondContact O-N 2.96Å; N181-N185 PolarHBondContact O-OD1 3.1Å; L182-N185 PolarHBondContact O-N 3.48Å; N185-G188 PolarHBondContact O-N 2.74Å; N185-R189 WeakPolarHBondContact O-CG 3.48Å; N185-R189 PolarHBondContact O-N 3.12Å; N185-R189 VanDerWaalsContact O-N 3.1Å
186E98.6Very high97.2Very high56 Ų5631.6 Ų31.626%0.26214%0.143SC..Hα-helixtrans-67.6-42179.6-167.259.1-152.400112.2R164 L182 H183 N184 G188 R189 K190R164-E186 IonicContact CZ-OE1 2.73Å; R164-E186 IonicContact CZ-OE2 3.56Å; R164-E186 IonicContact NE-OE2 2.74Å; R164-E186 PolarHBondContact NE-OE2 3.48Å; R164-E186 IonicContact NH2-OE1 3.52Å; R164-E186 PolarHBondContact NH2-OE1 3.03Å; R164-E186 IonicContact NH2-OE2 2.64Å; R164-E186 PolarHBondContact NH2-OE2 3.28Å; L182-E186 WeakPolarHBondContact O-CB 3.11Å; L182-E186 PolarHBondContact O-N 3.23Å; H183-E186 PolarHBondContact O-N 2.74Å; N184-E186 VanDerWaalsContact C-N 3.29Å; N184-E186 PolarHBondContact O-N 3.35Å; E186-G188 VanDerWaalsContact C-N 3.28Å; E186-G188 PolarHBondContact O-N 3.31Å; E186-R189 PolarHBondContact O-N 2.94Å; E186-R189 VanDerWaalsContact O-N 3.15Å; E186-R189 IonicContact OE2-CZ 3.19Å; E186-R189 VanDerWaalsContact OE2-CZ 3.28Å; E186-R189 IonicContact OE2-NE 2.86Å; E186-R189 PolarHBondContact OE2-NE 3.47Å; E186-R189 IonicContact OE2-NH2 3.63Å; E186-R189 PolarHBondContact OE2-NH2 2.03Å; E186-K190 WeakPolarHBondContact O-CB 3.28Å; E186-K190 PolarHBondContact O-N 2.92Å
187A98.8Very high97.2Very high0 Ų034.6 Ų34.60%015%0.153CC..Hα-helixtrans-56.7-42.4174.800000111.7H183 N184 K190 V191 E265 L268H183-A187 WeakPolarHBondContact O-CB 3.38Å; H183-A187 PolarHBondContact O-N 3.02Å; N184-A187 PolarHBondContact O-N 3.05Å; A187-K190 PolarHBondContact O-N 3.23Å; A187-V191 VanDerWaalsContact O-CG2 3.29Å; A187-V191 WeakPolarHBondContact O-CG2 3.16Å; A187-V191 PolarHBondContact O-N 2.87Å; A187-E265 VanDerWaalsContact CA-O 3.28Å; A187-E265 WeakPolarHBondContact CA-O 2.99Å; A187-E265 VanDerWaalsContact CB-O 3.31Å; A187-E265 WeakPolarHBondContact CB-O 3.33Å; A187-L268 HydrophobicContact CB-CD2 4.07Å
188G98.8Very high97.1Very high0 Ų037.2 Ų37.20%017%0.168CC..Hα-helixtrans-62.2-47174.400000113.3A109 N184 N185 E186 K190 V191 L192A109-G188 WeakPolarHBondContact O-CA 3.22Å; N184-G188 PolarHBondContact O-N 3.27Å; N185-G188 PolarHBondContact O-N 2.74Å; E186-G188 VanDerWaalsContact C-N 3.28Å; E186-G188 PolarHBondContact O-N 3.31Å; G188-K190 VanDerWaalsContact C-N 3.32Å; G188-K190 PolarHBondContact O-N 2.94Å; G188-V191 PolarHBondContact O-N 3.15Å; G188-L192 PolarHBondContact O-N 3.19Å; G188-L192 VanDerWaalsContact O-N 3.14Å
189R98.8Very high96.9Very high2 Ų238 Ų381%0.00818%0.175CC..Hα-helixtrans-62-40.3176.2-71.1-174.5-66.2-119.27.1111.8A112 A116 I160 D168 N185 E186 L192 E193A112-R189 HydrophobicContact CB-CG 4.25Å; A116-R189 HydrophobicContact CB-CG 4.48Å; I160-R189 HydrophobicContact CG1-CB 4.2Å; I160-R189 HydrophobicContact CG2-CB 4.36Å; D168-R189 IonicContact OD1-CZ 3.65Å; D168-R189 IonicContact OD1-NH1 2.8Å; D168-R189 PolarHBondContact OD1-NH1 3.19Å; D168-R189 IonicContact OD1-NH2 3.48Å; D168-R189 IonicContact OD2-CZ 3.72Å; D168-R189 IonicContact OD2-NH1 2.96Å; D168-R189 PolarHBondContact OD2-NH1 3.14Å; D168-R189 IonicContact OD2-NH2 2.8Å; D168-R189 PolarHBondContact OD2-NH2 2.97Å; N185-R189 WeakPolarHBondContact O-CG 3.48Å; N185-R189 PolarHBondContact O-N 3.12Å; N185-R189 VanDerWaalsContact O-N 3.1Å; E186-R189 PolarHBondContact O-N 2.94Å; E186-R189 VanDerWaalsContact O-N 3.15Å; E186-R189 IonicContact OE2-CZ 3.19Å; E186-R189 VanDerWaalsContact OE2-CZ 3.28Å; E186-R189 IonicContact OE2-NE 2.86Å; E186-R189 PolarHBondContact OE2-NE 3.47Å; E186-R189 IonicContact OE2-NH2 3.63Å; E186-R189 PolarHBondContact OE2-NH2 2.03Å; R189-L192 WeakPolarHBondContact O-CB 3.34Å; R189-L192 PolarHBondContact O-N 3.18Å; R189-E193 PolarHBondContact O-N 3.45Å
190K98.7Very high96.7Very high48 Ų4839.1 Ų39.121%0.20919%0.185CC..Hα-helixtrans-67-44.8179.6-171.465.4-176.81730112.2E186 A187 G188 L192 E193 E194 T266E186-K190 WeakPolarHBondContact O-CB 3.28Å; E186-K190 PolarHBondContact O-N 2.92Å; A187-K190 PolarHBondContact O-N 3.23Å; G188-K190 VanDerWaalsContact C-N 3.32Å; G188-K190 PolarHBondContact O-N 2.94Å; K190-L192 PolarHBondContact O-N 3.36Å; K190-E193 WeakPolarHBondContact CD-OE2 3.4Å; K190-E193 IonicContact NZ-OE2 3.01Å; K190-E193 PolarHBondContact NZ-OE2 3.47Å; K190-E193 WeakPolarHBondContact O-CB 3.43Å; K190-E193 PolarHBondContact O-N 2.66Å; K190-E193 VanDerWaalsContact O-N 3.14Å; K190-E194 HydrophobicContact CD-CG 4.49Å; K190-E194 WeakPolarHBondContact CE-OE1 3.2Å; K190-E194 HydrophobicContact CG-CG 4.45Å; K190-E194 WeakPolarHBondContact O-CG 3.21Å; K190-E194 PolarHBondContact O-N 2.04Å; K190-T266 HydrophobicContact CB-CG2 4.06Å; K190-T266 HydrophobicContact CG-CG2 3.59Å
191V98.6Very high96.4Very high3 Ų345.1 Ų45.12%0.01821%0.211CC..Hα-helixtrans-59.4-37.4174.3167.50000111.4A187 G188 R195 I224 I227 L228 T266A187-V191 VanDerWaalsContact O-CG2 3.29Å; A187-V191 WeakPolarHBondContact O-CG2 3.16Å; A187-V191 PolarHBondContact O-N 2.87Å; G188-V191 PolarHBondContact O-N 3.15Å; V191-R195 WeakPolarHBondContact O-CB 2.97Å; V191-R195 WeakPolarHBondContact O-CG 2.98Å; V191-R195 PolarHBondContact O-N 2.87Å; V191-I224 HydrophobicContact CG1-CD1 4.32Å; V191-I224 HydrophobicContact CG1-CG2 4.17Å; V191-I227 HydrophobicContact CG1-CB 4.08Å; V191-I227 HydrophobicContact CG1-CD1 4.45Å; V191-I227 HydrophobicContact CG1-CG2 3.64Å; V191-I227 HydrophobicContact CG2-CG2 4.39Å; V191-L228 HydrophobicContact CB-CD2 4.28Å; V191-L228 HydrophobicContact CG1-CD2 4.37Å; V191-L228 HydrophobicContact CG1-CG 4.38Å; V191-L228 HydrophobicContact CG2-CD2 4.07Å; V191-T266 HydrophobicContact CG2-CG2 4.18Å
192L98.6Very high96.1Very high0 Ų048.1 Ų48.10%023%0.231CC..Hα-helixtrans-65.6-46.9173.7175.363.6000111.9A113 A116 H117 I156 G188 R189 K190 E194 R195 M196 L218 P219 I224A113-L192 WeakPolarHBondContact O-CD2 3.41Å; A116-L192 HydrophobicContact CB-CD2 3.73Å; H117-L192 HydrophobicContact CB-CD1 4.43Å; H117-L192 HydrophobicContact CB-CD2 3.96Å; I156-L192 HydrophobicContact CD1-CD2 3.59Å; I156-L192 HydrophobicContact CD1-CG 3.72Å; G188-L192 PolarHBondContact O-N 3.19Å; G188-L192 VanDerWaalsContact O-N 3.14Å; R189-L192 WeakPolarHBondContact O-CB 3.34Å; R189-L192 PolarHBondContact O-N 3.18Å; K190-L192 PolarHBondContact O-N 3.36Å; L192-E194 PolarHBondContact O-N 3.04Å; L192-R195 PolarHBondContact O-N 3.39Å; L192-M196 PolarHBondContact O-N 2.8Å; L192-L218 HydrophobicContact CD1-CD2 4.15Å; L192-P219 HydrophobicContact CD1-CG 3.77Å; L192-I224 HydrophobicContact CD1-CD1 4.23Å; L192-I224 HydrophobicContact CD1-CG1 4.1Å
193E98.1Very high95.6Very high69 Ų6949.9 Ų49.932%0.32224%0.238SC..Hα-helixtrans-58.1-47.2178.9-166.9-177.2-138.700112.6I160 R189 K190 R195 M196I160-E193 HydrophobicContact CD1-CB 3.72Å; I160-E193 HydrophobicContact CD1-CG 4Å; R189-E193 PolarHBondContact O-N 3.45Å; K190-E193 WeakPolarHBondContact CD-OE2 3.4Å; K190-E193 IonicContact NZ-OE2 3.01Å; K190-E193 PolarHBondContact NZ-OE2 3.47Å; K190-E193 WeakPolarHBondContact O-CB 3.43Å; K190-E193 PolarHBondContact O-N 2.66Å; K190-E193 VanDerWaalsContact O-N 3.14Å; E193-R195 PolarHBondContact O-N 3.3Å; E193-M196 WeakPolarHBondContact O-CG 3.48Å; E193-M196 PolarHBondContact O-N 3.16Å
194E97.5Very high95.1Very high107 Ų10750 Ų5050%0.525%0.25SC..Hα-helixtrans-68.7-15.2-178.2-70.2176.3176.500113.3K190 L192K190-E194 HydrophobicContact CD-CG 4.49Å; K190-E194 WeakPolarHBondContact CE-OE1 3.2Å; K190-E194 HydrophobicContact CG-CG 4.45Å; K190-E194 WeakPolarHBondContact O-CG 3.21Å; K190-E194 PolarHBondContact O-N 2.04Å; L192-E194 PolarHBondContact O-N 3.04Å
195R97.3Very high94.7Very high112 Ų11255.9 Ų55.942%0.42329%0.285SS..THydrogen-bonded Turntrans-106.810.8-177.6-61.2-60.9179.3-177.44.4113.5V191 L192 E193 P219 I224 I227V191-R195 WeakPolarHBondContact O-CB 2.97Å; V191-R195 WeakPolarHBondContact O-CG 2.98Å; V191-R195 PolarHBondContact O-N 2.87Å; L192-R195 PolarHBondContact O-N 3.39Å; E193-R195 PolarHBondContact O-N 3.3Å; R195-P219 HydrophobicContact CB-CB 4.27Å; R195-P219 HydrophobicContact CB-CG 3.98Å; R195-P219 WeakPolarHBondContact O-CB 3.21Å; R195-P219 WeakPolarHBondContact O-CG 3.42Å; R195-I224 HydrophobicContact CB-CD1 3.8Å; R195-I224 HydrophobicContact CG-CD1 4.09Å; R195-I227 HydrophobicContact CG-CD1 3.71Å
196M95.8Very high94Very high36 Ų3662 Ų6218%0.17733%0.328CS..  trans-57.5140.1165.5-63-61.1-68.800110A154 I156 L192 E193 T216 T217 L218A154-M196 HydrophobicContact CB-CE 3.69Å; I156-M196 HydrophobicContact CB-CE 3.87Å; I156-M196 HydrophobicContact CB-CG 4.21Å; I156-M196 HydrophobicContact CB-SD 3.84Å; I156-M196 HydrophobicContact CD1-SD 4.15Å; I156-M196 HydrophobicContact CG1-CG 4.26Å; I156-M196 HydrophobicContact CG1-SD 3.92Å; I156-M196 HydrophobicContact CG2-CE 4.22Å; I156-M196 HydrophobicContact CG2-CG 4.02Å; I156-M196 HydrophobicContact CG2-SD 4.3Å; L192-M196 PolarHBondContact O-N 2.8Å; E193-M196 WeakPolarHBondContact O-CG 3.48Å; E193-M196 PolarHBondContact O-N 3.16Å; M196-T216 HydrophobicContact CB-CG2 4.06Å; M196-T216 HydrophobicContact CE-CG2 3.63Å; M196-T217 WeakPolarHBondContact CE-O 3.49Å; M196-L218 HydrophobicContact CE-CD2 4.2Å; M196-L218 HydrophobicContact CE-CG 4.37Å; M196-L218 HydrophobicContact SD-CD2 3.76Å; M196-L218 HydrophobicContact SD-CG 4.43Å
197K93.2Very high93.2Very high83 Ų8362.8 Ų62.836%0.36135%0.351SS..EExtended strand (participates in β ladder)trans-121.3143.7-174.5-68.8176.8-177.9-179.30110.9T216 T217 E223K197-T216 CarbonylContact O-C 3.58Å; K197-T216 WeakPolarHBondContact O-CA 3.34Å; K197-T217 HydrophobicContact CB-CG2 4.13Å; K197-T217 PolarHBondContact N-O 2.99Å; K197-T217 VanDerWaalsContact N-O 3.11Å; K197-T217 PolarHBondContact O-N 2.83Å; K197-E223 WeakPolarHBondContact CE-OE1 3.03Å; K197-E223 IonicContact NZ-OE1 2.9Å; K197-E223 PolarHBondContact NZ-OE1 3.36Å; K197-E223 IonicContact NZ-OE2 3.67Å; K197-E223 PolarHBondContact NZ-OE2 3.3Å
198L90.5Very high92.6Very high82 Ų8265.2 Ų65.243%0.42937%0.368SS..EExtended strand (participates in β ladder)trans-81.6113.1164.4-172.875.2000107.6W147 W149 C214W147-L198 HydrophobicContact CH2-CD1 4.44Å; W147-L198 HydrophobicContact CH2-CD2 4.41Å; W147-L198 HydrophobicContact CZ2-CD2 4.15Å; W149-L198 HydrophobicContact CH2-CD1 3.96Å; W149-L198 HydrophobicContact CZ3-CD1 3.67Å; L198-C214 HydrophobicContact CD1-CB 3.83Å; L198-C214 HydrophobicContact CD2-CB 4.31Å; L198-C214 HydrophobicContact CG-CB 4.02Å
199E91.7Very high92.1Very high97 Ų9768.3 Ų68.345%0.45339%0.389SS..EExtended strand (participates in β ladder)trans-101.9141170.7-85-174.8-176.600109.8C214 W215 T217E199-C214 CarbonylContact O-C 3.5Å; E199-C214 WeakPolarHBondContact O-CA 3.28Å; E199-C214 WeakPolarHBondContact O-CB 3.27Å; E199-W215 PolarHBondContact N-O 2.87Å; E199-W215 PolarHBondContact O-N 2.87Å; E199-T217 HydrophobicContact CB-CG2 4.04Å; E199-T217 HydrophobicContact CG-CG2 3.51Å
200C90.6Very high91.5Very high54 Ų5473.5 Ų73.537%0.36542%0.421SS..EExtended strand (participates in β ladder)trans-129.3138.4-178.4-60.30000110.8K212 T213 C214C200-K212 HydrophobicContact CB-CD 4.05Å; C200-K212 HydrophobicContact CB-CG 4.44Å; C200-T213 CarbonylContact C-O 3.57Å; C200-T213 WeakPolarHBondContact CA-O 3.31Å; C200-C214 HydrophobicContact CB-CB 4.03Å; C200-C214 WeakPolarHBondContact CB-SG 3.34Å; C200-C214 WeakPolarHBondContact SG-CB 3.43Å; C200-C214 CovalentContact SG-SG 2.03Å; C200-C214 PolarHBondContact SG-SG 3.1Å
201K90Very high90.9Very high126 Ų12674.8 Ų74.855%0.54843%0.433SS..EExtended strand (participates in β ladder)trans-106.7127168.6-178.7175-178.81780110.3K212 T213 W215K201-K212 CarbonylContact O-C 3.55Å; K201-K212 WeakPolarHBondContact O-CA 3.26Å; K201-K212 WeakPolarHBondContact O-CB 3.3Å; K201-T213 PolarHBondContact N-O 3.19Å; K201-T213 PolarHBondContact O-N 2.79Å; K201-W215 HydrophobicContact CB-CH2 3.7Å; K201-W215 HydrophobicContact CB-CZ3 4.04Å
202C90.7Very high90.5Very high62 Ų6277.7 Ų77.742%0.41945%0.445SS..EExtended strand (participates in β ladder)trans-77.4144.7174.8-690000111.9C209C202-C209 HydrophobicContact CB-CB 3.49Å; C202-C209 VanDerWaalsContact CB-CB 3.49Å; C202-C209 WeakPolarHBondContact CB-SG 3.32Å; C202-C209 WeakPolarHBondContact SG-CB 3.33Å; C202-C209 CovalentContact SG-SG 2.03Å; C202-C209 PolarHBondContact SG-SG 3.2Å
203H86.7Confident90Very high74 Ų7478.5 Ų78.534%0.34345%0.451SS..EExtended strand (participates in β ladder)trans-127.4130.4172.8-55.8-81.3000108.9S208 T210 T211 T213H203-S208 CarbonylContact C-O 3.46Å; H203-T210 PolarHBondContact O-N 2.83Å; H203-T210 PolarHBondContact O-OG1 3.3Å; H203-T211 PolarHBondContact N-O 3.23Å; H203-T211 PolarHBondContact O-N 2.94Å; H203-T211 VanDerWaalsContact O-O 3.1Å; H203-T211 PolarHBondContact O-OG1 3.32Å; H203-T213 PolarHBondContact CD2-OG1 3.3Å; H203-T213 WeakPolarHBondContact NE2-CB 3.45Å; H203-T213 PolarHBondContact NE2-OG1 3.21Å
204G86.6Confident89.7Confident40 Ų4075.2 Ų75.241%0.41244%0.435SS..SBendtrans171.4166.517900000112S206 S208G204-S206 PolarHBondContact O-N 2.83Å; G204-S208 VanDerWaalsContact C-OG 3.28Å; G204-S208 VanDerWaalsContact CA-O 3.29Å; G204-S208 WeakPolarHBondContact CA-O 3.42Å; G204-S208 WeakPolarHBondContact CA-OG 3.42Å; G204-S208 PolarHBondContact N-O 2.88Å
205V90.3Very high89.5Confident122 Ų12273.8 Ų73.874%0.73943%0.425SS*.G310 helixtrans-62.5133.3176.9-178.20000109.4G207 S208V205-G207 PolarHBondContact O-N 3.36Å; V205-G207 VanDerWaalsContact O-N 3.11Å; V205-S208 PolarHBondContact N-OG 2.98Å; V205-S208 WeakPolarHBondContact O-CB 3.06Å; V205-S208 PolarHBondContact O-N 2.97Å; V205-S208 PolarHBondContact O-OG 3.35Å
206S83.7Confident89.3Confident130 Ų13069.9 Ų69.991%0.90941%0.414SS*.G310 helixtrans52.132.5175.5-55.80000115.7G204G204-S206 PolarHBondContact O-N 2.83Å
207G82.6Confident89.2Confident72 Ų7269.8 Ų69.874%0.74242%0.415SS*.G310 helixtrans86.88179.500000115.1V205V205-G207 PolarHBondContact O-N 3.36Å; V205-G207 VanDerWaalsContact O-N 3.11Å
208S86.7Confident89.4Confident50 Ų5066.9 Ų66.935%0.3540%0.404SS..  trans-62.3156.1167.7570000111.9H203 G204 V205H203-S208 CarbonylContact C-O 3.46Å; G204-S208 VanDerWaalsContact C-OG 3.28Å; G204-S208 VanDerWaalsContact CA-O 3.29Å; G204-S208 WeakPolarHBondContact CA-O 3.42Å; G204-S208 WeakPolarHBondContact CA-OG 3.42Å; G204-S208 PolarHBondContact N-O 2.88Å; V205-S208 PolarHBondContact N-OG 2.98Å; V205-S208 WeakPolarHBondContact O-CB 3.06Å; V205-S208 PolarHBondContact O-N 2.97Å; V205-S208 PolarHBondContact O-OG 3.35Å
209C87.1Confident89.7Confident66 Ų6663.2 Ų63.245%0.44639%0.385SS..  trans-118.756.6-177.9-1640000111.4C202 T211C202-C209 HydrophobicContact CB-CB 3.49Å; C202-C209 VanDerWaalsContact CB-CB 3.49Å; C202-C209 WeakPolarHBondContact CB-SG 3.32Å; C202-C209 WeakPolarHBondContact SG-CB 3.33Å; C202-C209 CovalentContact SG-SG 2.03Å; C202-C209 PolarHBondContact SG-SG 3.2Å; C209-T211 VanDerWaalsContact C-N 3.34Å
210T85.7Confident90Very high111 Ų11166.8 Ų66.868%0.68140%0.399SS*.SBendtrans-73-30.6178.254.80000112.1H203H203-T210 PolarHBondContact O-N 2.83Å; H203-T210 PolarHBondContact O-OG1 3.3Å
211T87Confident90.4Very high74 Ų7465.1 Ų65.145%0.45439%0.385SS..EExtended strand (participates in β ladder)trans-132.6148.1169.959.60000108.7H203 C209H203-T211 PolarHBondContact N-O 3.23Å; H203-T211 PolarHBondContact O-N 2.94Å; H203-T211 VanDerWaalsContact O-O 3.1Å; H203-T211 PolarHBondContact O-OG1 3.32Å; C209-T211 VanDerWaalsContact C-N 3.34Å
212K89.2Confident90.8Very high64 Ų6463.7 Ų63.728%0.27838%0.377SS..EExtended strand (participates in β ladder)trans-134.9152.217366.4-174.6-179.2-179.80110.8W147 K148 C200 K201W147-K212 HydrophobicContact CB-CD 4.14Å; W147-K212 HydrophobicContact CB-CG 3.36Å; W147-K212 WeakPolarHBondContact CB-O 3.42Å; W147-K212 VanDerWaalsContact CD1-CE 3.43Å; W147-K212 HydrophobicContact CG-CG 4.23Å; K148-K212 PolarHBondContact N-O 3.1Å; K148-K212 VanDerWaalsContact N-O 3.15Å; C200-K212 HydrophobicContact CB-CD 4.05Å; C200-K212 HydrophobicContact CB-CG 4.44Å; K201-K212 CarbonylContact O-C 3.55Å; K201-K212 WeakPolarHBondContact O-CA 3.26Å; K201-K212 WeakPolarHBondContact O-CB 3.3Å
213T89.7Confident91.1Very high18 Ų1863.5 Ų63.511%0.1137%0.369CS..EExtended strand (participates in β ladder)trans-114.5124.3177.8-600000108K148 C200 K201 H203 W215K148-T213 VanDerWaalsContact CE-OG1 3.32Å; K148-T213 WeakPolarHBondContact CE-OG1 3.49Å; K148-T213 VanDerWaalsContact O-CA 3.31Å; K148-T213 WeakPolarHBondContact O-CA 3.28Å; C200-T213 CarbonylContact C-O 3.57Å; C200-T213 WeakPolarHBondContact CA-O 3.31Å; K201-T213 PolarHBondContact N-O 3.19Å; K201-T213 PolarHBondContact O-N 2.79Å; H203-T213 PolarHBondContact CD2-OG1 3.3Å; H203-T213 WeakPolarHBondContact NE2-CB 3.45Å; H203-T213 PolarHBondContact NE2-OG1 3.21Å; T213-W215 HydrophobicContact CG2-CE3 4.3Å; T213-W215 HydrophobicContact CG2-CZ3 4.2Å; T213-W215 WeakPolarHBondContact O-CZ3 3.28Å
214C91.3Very high91.7Very high0 Ų060 Ų600%035%0.353CS..EExtended strand (participates in β ladder)trans-120.1150.1-175-51.60000113.3W147 K148 G150 L198 E199 C200W147-C214 HydrophobicContact CD2-CB 4.23Å; W147-C214 HydrophobicContact CE3-CB 3.6Å; W147-C214 VanDerWaalsContact CE3-SG 3.59Å; W147-C214 HydrophobicContact CH2-CB 4.39Å; W147-C214 HydrophobicContact CZ3-CB 3.7Å; K148-C214 PolarHBondContact O-N 2.03Å; G150-C214 PolarHBondContact N-O 3.05Å; L198-C214 HydrophobicContact CD1-CB 3.83Å; L198-C214 HydrophobicContact CD2-CB 4.31Å; L198-C214 HydrophobicContact CG-CB 4.02Å; E199-C214 CarbonylContact O-C 3.5Å; E199-C214 WeakPolarHBondContact O-CA 3.28Å; E199-C214 WeakPolarHBondContact O-CB 3.27Å; C200-C214 HydrophobicContact CB-CB 4.03Å; C200-C214 WeakPolarHBondContact CB-SG 3.34Å; C200-C214 WeakPolarHBondContact SG-CB 3.43Å; C200-C214 CovalentContact SG-SG 2.03Å; C200-C214 PolarHBondContact SG-SG 3.1Å
215W92Very high92.3Very high76 Ų7658 Ų5829%0.28833%0.333SS..EExtended strand (participates in β ladder)trans-147.5157.9176.454.287.3000110.6E199 K201 T213E199-W215 PolarHBondContact N-O 2.87Å; E199-W215 PolarHBondContact O-N 2.87Å; K201-W215 HydrophobicContact CB-CH2 3.7Å; K201-W215 HydrophobicContact CB-CZ3 4.04Å; T213-W215 HydrophobicContact CG2-CE3 4.3Å; T213-W215 HydrophobicContact CG2-CZ3 4.2Å; T213-W215 WeakPolarHBondContact O-CZ3 3.28Å
216T93.5Very high92.7Very high31 Ų3157.4 Ų57.419%0.1932%0.318CS..EExtended strand (participates in β ladder)trans-83130.9173.8-65.80000110.4W149 S153 A154 M196 K197W149-T216 WeakPolarHBondContact CH2-OG1 3.46Å; S153-T216 PolarHBondContact OG-N 2.99Å; S153-T216 VanDerWaalsContact OG-N 3.14Å; A154-T216 PolarHBondContact N-O 3.46Å; M196-T216 HydrophobicContact CB-CG2 4.06Å; M196-T216 HydrophobicContact CE-CG2 3.63Å; K197-T216 CarbonylContact O-C 3.58Å; K197-T216 WeakPolarHBondContact O-CA 3.34Å
217T94.8Very high93.4Very high33 Ų3352.3 Ų52.320%0.20228%0.281CS..EExtended strand (participates in β ladder)trans-124.8158.4-179.4-168.90000111.9M196 K197 E199M196-T217 WeakPolarHBondContact CE-O 3.49Å; K197-T217 HydrophobicContact CB-CG2 4.13Å; K197-T217 PolarHBondContact N-O 2.99Å; K197-T217 VanDerWaalsContact N-O 3.11Å; K197-T217 PolarHBondContact O-N 2.83Å; E199-T217 HydrophobicContact CB-CG2 4.04Å; E199-T217 HydrophobicContact CG-CG2 3.51Å
218L96.8Very high94.2Very high23 Ų2348.9 Ų48.912%0.1225%0.245CC..PPolyproline II helixtrans-70.9142.3170.8-74.6162.2000110.7H117 T120 A121 A154 I156 L192 M196H117-L218 WeakPolarHBondContact O-CD1 3.33Å; T120-L218 HydrophobicContact CG2-CD1 3.88Å; T120-L218 HydrophobicContact CG2-CD2 3.9Å; T120-L218 HydrophobicContact CG2-CG 3.98Å; A121-L218 HydrophobicContact CB-CD1 3.76Å; A154-L218 HydrophobicContact CB-CG 4.2Å; I156-L218 HydrophobicContact CD1-CD2 3.98Å; L192-L218 HydrophobicContact CD1-CD2 4.15Å; M196-L218 HydrophobicContact CE-CD2 4.2Å; M196-L218 HydrophobicContact CE-CG 4.37Å; M196-L218 HydrophobicContact SD-CD2 3.76Å; M196-L218 HydrophobicContact SD-CG 4.43Å
219P97.4Very high94.7Very high4 Ų448.3 Ų48.33%0.02624%0.237CC..PPolyproline II helixtrans-66160.6170.527.1-32000111.2H117 L192 R195 F221 I224H117-P219 PolarHBondContact NE2-O 3.46Å; L192-P219 HydrophobicContact CD1-CG 3.77Å; R195-P219 HydrophobicContact CB-CB 4.27Å; R195-P219 HydrophobicContact CB-CG 3.98Å; R195-P219 WeakPolarHBondContact O-CB 3.21Å; R195-P219 WeakPolarHBondContact O-CG 3.42Å; P219-F221 PolarHBondContact O-N 3.4Å; P219-I224 HydrophobicContact CB-CD1 4.29Å; P219-I224 HydrophobicContact CG-CD1 3.68Å; P219-I224 HydrophobicContact CG-CG1 4.04Å
220K97.8Very high95.2Very high173 Ų17351.5 Ų51.575%0.75225%0.245SC*.PPolyproline II helixtrans-62.1128.1167.7-68.2179.7-178.5175.90108.5R222 E223K220-R222 PolarHBondContact O-N 3.2Å; K220-R222 VanDerWaalsContact O-N 3.1Å; K220-E223 WeakPolarHBondContact O-CB 3.41Å; K220-E223 PolarHBondContact O-N 2.78Å
221F98.5Very high95.8Very high18 Ų1848.9 Ų48.98%0.07922%0.224CC..Hα-helixtrans-60.3-30.1-173.6-165.1-107.9000113.8M68 E72 I110 A113 G114 H117 P219 E223 I224 G225M68-F221 HydrophobicContact CG-CB 4.44Å; M68-F221 HydrophobicContact CG-CD1 3.53Å; M68-F221 HydrophobicContact CG-CE1 3.85Å; M68-F221 HydrophobicContact CG-CG 3.95Å; M68-F221 HydrophobicContact SD-CB 3.75Å; M68-F221 HydrophobicContact SD-CD1 3.72Å; M68-F221 HydrophobicContact SD-CD2 3.82Å; M68-F221 HydrophobicContact SD-CE1 4.24Å; M68-F221 HydrophobicContact SD-CE2 4.36Å; M68-F221 HydrophobicContact SD-CG 3.46Å; M68-F221 WeakPolarHBondContact SD-CG 3.36Å; E72-F221 HydrophobicContact CB-CD1 3.88Å; E72-F221 HydrophobicContact CB-CE1 3.66Å; E72-F221 HydrophobicContact CG-CD1 4.06Å; E72-F221 HydrophobicContact CG-CE1 4.04Å; I110-F221 HydrophobicContact CD1-CE1 3.79Å; I110-F221 HydrophobicContact CD1-CZ 3.64Å; I110-F221 HydrophobicContact CG1-CE1 4.09Å; I110-F221 HydrophobicContact CG1-CZ 4.01Å; A113-F221 HydrophobicContact CB-CE2 4.22Å; G114-F221 VanDerWaalsContact CA-CE2 3.42Å; G114-F221 VanDerWaalsContact CA-CZ 3.42Å; H117-F221 HydrophobicContact CB-CD2 4.05Å; H117-F221 HydrophobicContact CB-CE2 4.23Å; H117-F221 AromaticContact CD2-CD2 3.83Å; H117-F221 AromaticContact CG-CD2 3.9Å; P219-F221 PolarHBondContact O-N 3.4Å; F221-E223 PolarHBondContact O-N 3.13Å; F221-I224 WeakPolarHBondContact O-CB 3.34Å; F221-I224 PolarHBondContact O-N 3.07Å; F221-I224 VanDerWaalsContact O-N 3.12Å; F221-G225 PolarHBondContact O-N 2.83Å
222R98.3Very high96.4Very high97 Ų9746.6 Ų46.637%0.36621%0.207SC..Hα-helixtrans-54.3-36.8171178.458.75672.15.6113.5E72 Y75 K220 G225 Y226E72-R222 WeakPolarHBondContact OE1-CD 3.42Å; E72-R222 IonicContact OE1-NE 3.9Å; E72-R222 PolarHBondContact OE1-NE 3.24Å; E72-R222 IonicContact OE2-CZ 2.67Å; E72-R222 IonicContact OE2-NE 3.28Å; E72-R222 PolarHBondContact OE2-NE 3.41Å; E72-R222 IonicContact OE2-NH2 3.27Å; Y75-R222 PolarHBondContact OH-NH1 3.26Å; K220-R222 PolarHBondContact O-N 3.2Å; K220-R222 VanDerWaalsContact O-N 3.1Å; R222-G225 PolarHBondContact O-N 3.44Å; R222-Y226 VanDerWaalsContact CD-CE2 3.5Å; R222-Y226 HydrophobicContact CG-CD2 3.98Å; R222-Y226 HydrophobicContact CG-CE2 3.45Å; R222-Y226 VanDerWaalsContact CG-CE2 3.45Å; R222-Y226 WeakPolarHBondContact O-CD2 3.45Å; R222-Y226 PolarHBondContact O-N 3.34Å
223E98.3Very high96.7Very high57 Ų5748.5 Ų48.527%0.26622%0.221SC..Hα-helixtrans-66-41.7177.9-173176.9169.100111.2K197 K220 F221 G225 Y226 I227K197-E223 WeakPolarHBondContact CE-OE1 3.03Å; K197-E223 IonicContact NZ-OE1 2.9Å; K197-E223 PolarHBondContact NZ-OE1 3.36Å; K197-E223 IonicContact NZ-OE2 3.67Å; K197-E223 PolarHBondContact NZ-OE2 3.3Å; K220-E223 WeakPolarHBondContact O-CB 3.41Å; K220-E223 PolarHBondContact O-N 2.78Å; F221-E223 PolarHBondContact O-N 3.13Å; E223-G225 VanDerWaalsContact C-N 3.3Å; E223-G225 PolarHBondContact O-N 3.23Å; E223-Y226 PolarHBondContact O-N 2.99Å; E223-I227 HydrophobicContact CG-CD1 4.25Å; E223-I227 WeakPolarHBondContact O-CG1 3.37Å; E223-I227 PolarHBondContact O-N 2.9Å; E223-I227 VanDerWaalsContact O-N 3.07Å
224I98.6Very high97.1Very high0 Ų051.1 Ų51.10%024%0.244CC..Hα-helixtrans-61.5-42.4173-53.4-53.3000110.2A113 V191 L192 R195 P219 F221 Y226 I227 L228A113-I224 HydrophobicContact CB-CG2 4.16Å; V191-I224 HydrophobicContact CG1-CD1 4.32Å; V191-I224 HydrophobicContact CG1-CG2 4.17Å; L192-I224 HydrophobicContact CD1-CD1 4.23Å; L192-I224 HydrophobicContact CD1-CG1 4.1Å; R195-I224 HydrophobicContact CB-CD1 3.8Å; R195-I224 HydrophobicContact CG-CD1 4.09Å; P219-I224 HydrophobicContact CB-CD1 4.29Å; P219-I224 HydrophobicContact CG-CD1 3.68Å; P219-I224 HydrophobicContact CG-CG1 4.04Å; F221-I224 WeakPolarHBondContact O-CB 3.34Å; F221-I224 PolarHBondContact O-N 3.07Å; F221-I224 VanDerWaalsContact O-N 3.12Å; I224-Y226 PolarHBondContact O-N 2.97Å; I224-I227 PolarHBondContact O-N 3.31Å; I224-L228 HydrophobicContact CG2-CD1 3.85Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 WeakPolarHBondContact O-CG 3.24Å; I224-L228 PolarHBondContact O-N 3.07Å
225G98.6Very high97.4Very high0 Ų051.9 Ų51.90%025%0.25CS..Hα-helixtrans-55.3-46174.500000113.3F221 R222 E223 K229F221-G225 PolarHBondContact O-N 2.83Å; R222-G225 PolarHBondContact O-N 3.44Å; E223-G225 VanDerWaalsContact C-N 3.3Å; E223-G225 PolarHBondContact O-N 3.23Å; G225-K229 VanDerWaalsContact O-CB 3.29Å; G225-K229 WeakPolarHBondContact O-CB 3.41Å; G225-K229 PolarHBondContact O-N 2.83Å
226Y98.6Very high97.6Very high108 Ų10849.6 Ų49.642%0.42425%0.245SC..Hα-helixtrans-65.1-45.4176.9-71.9-57.6000112.7Y75 R222 E223 I224 L228 K229 E230Y75-Y226 HydrophobicContact CE1-CE1 4.28Å; Y75-Y226 PolarHBondContact OH-OH 3.47Å; R222-Y226 VanDerWaalsContact CD-CE2 3.5Å; R222-Y226 HydrophobicContact CG-CD2 3.98Å; R222-Y226 HydrophobicContact CG-CE2 3.45Å; R222-Y226 VanDerWaalsContact CG-CE2 3.45Å; R222-Y226 WeakPolarHBondContact O-CD2 3.45Å; R222-Y226 PolarHBondContact O-N 3.34Å; E223-Y226 PolarHBondContact O-N 2.99Å; I224-Y226 PolarHBondContact O-N 2.97Å; Y226-L228 PolarHBondContact O-N 3.42Å; Y226-K229 WeakPolarHBondContact O-CA 3.38Å; Y226-K229 WeakPolarHBondContact O-CB 3.33Å; Y226-K229 PolarHBondContact O-N 3.4Å; Y226-K229 VanDerWaalsContact O-N 3.07Å; Y226-E230 PolarHBondContact O-N 3.17Å
227I98.6Very high97.8Very high23 Ų2349 Ų4912%0.11824%0.24CC..Hα-helixtrans-63-45.4179.2-64.8160.7000110.7V191 R195 E223 I224 K229 E230 K231V191-I227 HydrophobicContact CG1-CB 4.08Å; V191-I227 HydrophobicContact CG1-CD1 4.45Å; V191-I227 HydrophobicContact CG1-CG2 3.64Å; V191-I227 HydrophobicContact CG2-CG2 4.39Å; R195-I227 HydrophobicContact CG-CD1 3.71Å; E223-I227 HydrophobicContact CG-CD1 4.25Å; E223-I227 WeakPolarHBondContact O-CG1 3.37Å; E223-I227 PolarHBondContact O-N 2.9Å; E223-I227 VanDerWaalsContact O-N 3.07Å; I224-I227 PolarHBondContact O-N 3.31Å; I227-K229 PolarHBondContact O-N 3.24Å; I227-E230 WeakPolarHBondContact O-CB 3.46Å; I227-E230 PolarHBondContact O-N 3.24Å; I227-K231 WeakPolarHBondContact O-CG 3.39Å; I227-K231 PolarHBondContact O-N 3.44Å
228L98.7Very high97.9Very high0 Ų047.5 Ų47.50%023%0.231CC..Hα-helixtrans-64.4-28.7176.3-71.5176.4000111.7F106 A109 I110 V191 I224 Y226 K231 Y232 L268F106-L228 HydrophobicContact CD2-CB 4.07Å; F106-L228 HydrophobicContact CE2-CB 3.62Å; F106-L228 HydrophobicContact CZ-CB 4.35Å; A109-L228 HydrophobicContact CB-CD1 4.16Å; A109-L228 HydrophobicContact CB-CD2 4Å; I110-L228 HydrophobicContact CB-CD1 4.18Å; I110-L228 HydrophobicContact CD1-CD1 3.7Å; V191-L228 HydrophobicContact CB-CD2 4.28Å; V191-L228 HydrophobicContact CG1-CD2 4.37Å; V191-L228 HydrophobicContact CG1-CG 4.38Å; V191-L228 HydrophobicContact CG2-CD2 4.07Å; I224-L228 HydrophobicContact CG2-CD1 3.85Å; I224-L228 HydrophobicContact CG2-CG 4.28Å; I224-L228 WeakPolarHBondContact O-CB 3.32Å; I224-L228 WeakPolarHBondContact O-CG 3.24Å; I224-L228 PolarHBondContact O-N 3.07Å; Y226-L228 PolarHBondContact O-N 3.42Å; L228-K231 PolarHBondContact O-N 3.27Å; L228-Y232 WeakPolarHBondContact O-CB 3.29Å; L228-Y232 PolarHBondContact O-N 3.47Å; L228-L268 HydrophobicContact CD2-CD2 4.43Å
229K98.1Very high97.8Very high39 Ų3949.8 Ų49.817%0.1724%0.24CC..Hα-helixtrans-70.6-39.3176.7-176.857.7171.7175.60111.6Q76 F77 F106 G225 Y226 I227 Y232 N233Q76-K229 HydrophobicContact CB-CD 4.32Å; Q76-K229 HydrophobicContact CG-CB 4.44Å; Q76-K229 WeakPolarHBondContact O-CE 3.46Å; F77-K229 VanDerWaalsContact CD1-NZ 3.33Å; F77-K229 HydrophobicContact CE2-CD 4.14Å; F77-K229 HydrophobicContact CZ-CD 4.1Å; F106-K229 HydrophobicContact CE2-CB 4.24Å; G225-K229 VanDerWaalsContact O-CB 3.29Å; G225-K229 WeakPolarHBondContact O-CB 3.41Å; G225-K229 PolarHBondContact O-N 2.83Å; Y226-K229 WeakPolarHBondContact O-CA 3.38Å; Y226-K229 WeakPolarHBondContact O-CB 3.33Å; Y226-K229 PolarHBondContact O-N 3.4Å; Y226-K229 VanDerWaalsContact O-N 3.07Å; I227-K229 PolarHBondContact O-N 3.24Å; K229-Y232 HydrophobicContact CD-CD1 4.03Å; K229-Y232 WeakPolarHBondContact O-CB 3.34Å; K229-Y232 PolarHBondContact O-N 3.23Å; K229-N233 PolarHBondContact O-N 2.82Å; K229-N233 VanDerWaalsContact O-N 3.08Å; K229-N233 PolarHBondContact O-ND2 2.63Å
230E98.1Very high97.5Very high132 Ų13250.7 Ų50.762%0.61725%0.246SC*.Hα-helixtrans-62.1-46.9170.8-67.9175.9172.800111.1Y226 I227 Y232 N233 A234Y226-E230 PolarHBondContact O-N 3.17Å; I227-E230 WeakPolarHBondContact O-CB 3.46Å; I227-E230 PolarHBondContact O-N 3.24Å; E230-Y232 VanDerWaalsContact C-N 3.26Å; E230-Y232 PolarHBondContact O-N 2.88Å; E230-N233 WeakPolarHBondContact O-CB 3.09Å; E230-N233 PolarHBondContact O-N 2.94Å; E230-N233 VanDerWaalsContact O-N 3.1Å; E230-A234 PolarHBondContact O-N 3.07Å
231K98.5Very high97.2Very high57 Ų5743.6 Ų43.625%0.24822%0.217CC..Hα-helixtrans-61.4-32.6175.1-66.9-67.3-168.3170.40112.8I227 L228 A234 A235 T266 D267 L268I227-K231 WeakPolarHBondContact O-CG 3.39Å; I227-K231 PolarHBondContact O-N 3.44Å; L228-K231 PolarHBondContact O-N 3.27Å; K231-A234 CarbonylContact O-C 3.46Å; K231-A234 PolarHBondContact O-N 3.27Å; K231-A235 WeakPolarHBondContact O-CA 3.41Å; K231-A235 PolarHBondContact O-N 2.72Å; K231-T266 PolarHBondContact NZ-OG1 3.07Å; K231-D267 IonicContact NZ-OD1 2.72Å; K231-L268 HydrophobicContact CB-CD1 4.16Å; K231-L268 HydrophobicContact CB-CG 3.97Å
232Y98.2Very high96.7Very high25 Ų2549.8 Ų49.810%0.09824%0.24CC..Hα-helixtrans-66-41.9173.3160.1-85.8000111.9F77 R102 E103 F106 L228 K229 E230 A234 A235F77-Y232 HydrophobicContact CE1-CD1 4.22Å; F77-Y232 HydrophobicContact CE1-CD2 4.31Å; F77-Y232 AromaticContact CE1-CE1 3.76Å; F77-Y232 HydrophobicContact CE1-CE1 3.76Å; F77-Y232 AromaticContact CE1-CE2 3.8Å; F77-Y232 HydrophobicContact CE1-CE2 3.8Å; F77-Y232 HydrophobicContact CE1-CG 4.5Å; F77-Y232 AromaticContact CE1-CZ 3.54Å; F77-Y232 AromaticContact CZ-CD1 3.95Å; F77-Y232 HydrophobicContact CZ-CD1 3.95Å; F77-Y232 AromaticContact CZ-CD2 3.76Å; F77-Y232 HydrophobicContact CZ-CD2 3.76Å; F77-Y232 AromaticContact CZ-CE1 3.96Å; F77-Y232 HydrophobicContact CZ-CE1 3.96Å; F77-Y232 AromaticContact CZ-CE2 3.72Å; F77-Y232 HydrophobicContact CZ-CE2 3.72Å; F77-Y232 AromaticContact CZ-CG 3.88Å; F77-Y232 HydrophobicContact CZ-CG 3.88Å; F77-Y232 AromaticContact CZ-CZ 3.85Å; R102-Y232 HydrophobicContact CB-CD2 3.83Å; R102-Y232 HydrophobicContact CB-CE2 3.44Å; R102-Y232 VanDerWaalsContact CB-CE2 3.44Å; R102-Y232 WeakPolarHBondContact O-CD2 3.43Å; E103-Y232 HydrophobicContact CG-CE2 4.19Å; E103-Y232 PolarHBondContact OE1-OH 3.41Å; F106-Y232 HydrophobicContact CB-CD2 4Å; F106-Y232 HydrophobicContact CD2-CG 4.49Å; L228-Y232 WeakPolarHBondContact O-CB 3.29Å; L228-Y232 PolarHBondContact O-N 3.47Å; K229-Y232 HydrophobicContact CD-CD1 4.03Å; K229-Y232 WeakPolarHBondContact O-CB 3.34Å; K229-Y232 PolarHBondContact O-N 3.23Å; E230-Y232 VanDerWaalsContact C-N 3.26Å; E230-Y232 PolarHBondContact O-N 2.88Å; Y232-A234 VanDerWaalsContact C-N 3.27Å; Y232-A234 PolarHBondContact O-N 3.09Å; Y232-A235 WeakPolarHBondContact O-CB 3.44Å; Y232-A235 PolarHBondContact O-N 2.7Å
233N96.5Very high96Very high105 Ų10547 Ų4756%0.56124%0.238SC*.Hα-helixtrans-65.5-35.7177.6-66.4-27000111.1K229 E230K229-N233 PolarHBondContact O-N 2.82Å; K229-N233 VanDerWaalsContact O-N 3.08Å; K229-N233 PolarHBondContact O-ND2 2.63Å; E230-N233 WeakPolarHBondContact O-CB 3.09Å; E230-N233 PolarHBondContact O-N 2.94Å; E230-N233 VanDerWaalsContact O-N 3.1Å
234A97.4Very high95.1Very high73 Ų7350.1 Ų50.160%0.60327%0.266SS*.THydrogen-bonded Turntrans-92.513.4175.800000114.1E230 K231 Y232E230-A234 PolarHBondContact O-N 3.07Å; K231-A234 CarbonylContact O-C 3.46Å; K231-A234 PolarHBondContact O-N 3.27Å; Y232-A234 VanDerWaalsContact C-N 3.27Å; Y232-A234 PolarHBondContact O-N 3.09Å
235A97.9Very high94.2Very high15 Ų1561.6 Ų61.612%0.12431%0.309CS..  trans-61.3147.6-173.800000111.9R102 K231 Y232 L268 Y270R102-A235 HydrophobicContact CG-CB 3.98Å; K231-A235 WeakPolarHBondContact O-CA 3.41Å; K231-A235 PolarHBondContact O-N 2.72Å; Y232-A235 WeakPolarHBondContact O-CB 3.44Å; Y232-A235 PolarHBondContact O-N 2.7Å; A235-L268 CarbonylContact C-O 3.4Å; A235-L268 VanDerWaalsContact CA-O 3.28Å; A235-L268 WeakPolarHBondContact CA-O 3.33Å; A235-L268 HydrophobicContact CB-CB 4.08Å; A235-L268 WeakPolarHBondContact CB-O 3.36Å; A235-Y270 HydrophobicContact CB-CD1 4.03Å; A235-Y270 HydrophobicContact CB-CE1 4.21Å; A235-Y270 WeakPolarHBondContact O-CE1 3.45Å
236V97Very high93.2Very high28 Ų2867.4 Ų67.417%0.1734%0.339CS..EExtended strand (participates in β ladder)trans-108.7133-170.2-177.10000111.2V238 I254 L268 V269 Y270V236-V238 PolarHBondContact O-N 2.94Å; V236-I254 HydrophobicContact CG1-CB 4.2Å; V236-I254 HydrophobicContact CG1-CD1 4.23Å; V236-I254 HydrophobicContact CG1-CG1 3.85Å; V236-I254 HydrophobicContact CG1-CG2 3.56Å; V236-L268 PolarHBondContact N-O 2.89Å; V236-V269 WeakPolarHBondContact O-CA 3.32Å; V236-Y270 VanDerWaalsContact C-CE1 3.42Å; V236-Y270 WeakPolarHBondContact O-CD1 3.34Å; V236-Y270 PolarHBondContact O-N 2.98Å
237Q97.4Very high92.2Very high20 Ų2072 Ų729%0.09336%0.356CS..EExtended strand (participates in β ladder)trans-76125.8172.7-164.9170.610.300110.1K255 Y270 I271Q237-K255 HydrophobicContact CB-CB 4.48Å; Q237-K255 HydrophobicContact CG-CB 4.38Å; Q237-K255 HydrophobicContact CG-CD 4.07Å; Q237-K255 WeakPolarHBondContact O-CB 3Å; Q237-K255 PolarHBondContact O-N 2Å; Q237-Y270 CarbonylContact C-O 3.37Å; Q237-Y270 WeakPolarHBondContact CA-O 3.28Å; Q237-Y270 HydrophobicContact CB-CD2 4.25Å; Q237-Y270 HydrophobicContact CB-CE1 4.11Å; Q237-Y270 HydrophobicContact CB-CE2 3.63Å; Q237-Y270 HydrophobicContact CG-CD2 4.03Å; Q237-Y270 HydrophobicContact CG-CE2 3.65Å; Q237-I271 PolarHBondContact NE2-O 3.45Å
238V96.8Very high91.4Very high1 Ų174.9 Ų74.91%0.00637%0.369CS..EExtended strand (participates in β ladder)trans-117.2156.5-179.2-640000112V236 L252 K253 P263 V269 Y270 I271V236-V238 PolarHBondContact O-N 2.94Å; V238-L252 HydrophobicContact CB-CB 4.28Å; V238-L252 HydrophobicContact CG2-CB 4.45Å; V238-L252 HydrophobicContact CG2-CD1 4.22Å; V238-L252 HydrophobicContact CG2-CD2 4.08Å; V238-L252 HydrophobicContact CG2-CG 4.48Å; V238-K253 CarbonylContact C-O 3.58Å; V238-K253 WeakPolarHBondContact CA-O 3.46Å; V238-K253 WeakPolarHBondContact CB-O 3.37Å; V238-P263 HydrophobicContact CG1-CG 4.39Å; V238-V269 HydrophobicContact CB-CB 4.5Å; V238-V269 HydrophobicContact CG1-CB 3.79Å; V238-V269 HydrophobicContact CG1-CG1 3.75Å; V238-V269 HydrophobicContact CG2-CB 3.87Å; V238-V269 HydrophobicContact CG2-CG2 4.24Å; V238-Y270 WeakPolarHBondContact CG2-O 3.4Å; V238-Y270 PolarHBondContact N-O 2.85Å; V238-I271 HydrophobicContact CG2-CG1 4.21Å
239E94.5Very high90.7Very high70 Ų7076.2 Ų76.233%0.32738%0.378SS..EExtended strand (participates in β ladder)trans-128.2154.4168.366-179.6-166.600111K253 K255E239-K253 HydrophobicContact CG-CD 4.37Å; E239-K253 HydrophobicContact CG-CG 3.81Å; E239-K253 PolarHBondContact N-O 3.29Å; E239-K253 PolarHBondContact O-N 2.92Å; E239-K253 WeakPolarHBondContact OE1-CE 3.41Å; E239-K253 IonicContact OE1-NZ 3.9Å; E239-K253 PolarHBondContact OE1-NZ 3.47Å; E239-K255 HydrophobicContact CG-CB 4.43Å
240V92.3Very high90.1Very high24 Ų2478 Ų7815%0.14539%0.392CS..EExtended strand (participates in β ladder)trans-83.2131.8-177.662.60000110.9A176 L179 R242 P249A176-V240 HydrophobicContact CB-CB 3.84Å; A176-V240 HydrophobicContact CB-CG1 3.87Å; A176-V240 HydrophobicContact CB-CG2 4.37Å; L179-V240 HydrophobicContact CD1-CG2 4.19Å; V240-R242 HydrophobicContact CG1-CG 4.46Å; V240-R242 VanDerWaalsContact CG1-NH1 3.35Å; V240-R242 HydrophobicContact CG2-CG 4.42Å; V240-P249 HydrophobicContact CG2-CB 3.47Å; V240-P249 VanDerWaalsContact CG2-CB 3.47Å; V240-P249 HydrophobicContact CG2-CG 4.02Å
241V90Very high89.8Confident24 Ų2474.8 Ų74.815%0.14538%0.376CS..EExtended strand (participates in β ladder)trans-91.3123164.9-174.30000108.4T250 F251 K253 Y260V241-T250 PolarHBondContact O-N 3.42Å; V241-F251 HydrophobicContact CB-CD1 4.25Å; V241-F251 HydrophobicContact CB-CD2 4.19Å; V241-F251 HydrophobicContact CB-CE1 3.87Å; V241-F251 HydrophobicContact CB-CE2 3.82Å; V241-F251 HydrophobicContact CB-CG 4.4Å; V241-F251 HydrophobicContact CB-CZ 3.64Å; V241-F251 HydrophobicContact CG1-CE1 3.8Å; V241-F251 HydrophobicContact CG1-CE2 4.3Å; V241-F251 HydrophobicContact CG1-CZ 3.64Å; V241-F251 HydrophobicContact CG2-CD2 4.08Å; V241-F251 HydrophobicContact CG2-CE1 4.46Å; V241-F251 HydrophobicContact CG2-CE2 3.52Å; V241-F251 HydrophobicContact CG2-CZ 3.74Å; V241-F251 PolarHBondContact N-O 3.47Å; V241-K253 HydrophobicContact CG2-CB 4.07Å; V241-K253 HydrophobicContact CG2-CD 3.56Å; V241-K253 HydrophobicContact CG2-CG 3.62Å; V241-Y260 HydrophobicContact CG1-CE1 4.32Å; V241-Y260 HydrophobicContact CG2-CD1 4.35Å; V241-Y260 HydrophobicContact CG2-CE1 4.19Å
242R88.8Confident89.6Confident147 Ų14772.7 Ų72.756%0.55537%0.367SS*.EExtended strand (participates in β ladder)trans-97.4135.6179.5-68.6-180173.686.8-2.4110.1V240 R247 Q248V240-R242 HydrophobicContact CG1-CG 4.46Å; V240-R242 VanDerWaalsContact CG1-NH1 3.35Å; V240-R242 HydrophobicContact CG2-CG 4.42Å; R242-R247 VanDerWaalsContact CD-O 3.32Å; R242-R247 WeakPolarHBondContact CD-O 3.42Å; R242-Q248 WeakPolarHBondContact CA-O 3.33Å
243A82.9Confident89.4Confident39 Ų3973.1 Ų73.132%0.32237%0.37SS..PPolyproline II helixtrans-62.9139.6171.900000111R245 R247 Q248 T250A243-R245 PolarHBondContact O-N 2.9Å; A243-R247 VanDerWaalsContact O-CA 3.26Å; A243-R247 WeakPolarHBondContact O-CA 3.38Å; A243-R247 PolarHBondContact O-N 3.05Å; A243-Q248 PolarHBondContact N-O 2.9Å; A243-T250 WeakPolarHBondContact CB-OG1 3.46Å; A243-T250 PolarHBondContact N-OG1 3.12Å
244S79.3Confident89.3Confident122 Ų12268.8 Ų68.885%0.85335%0.347SS*.THydrogen-bonded Turntrans-57.1-44.5-177.5-178.40000113
245R79.9Confident89.1Confident242 Ų24270.3 Ų70.391%0.91334%0.34SS*.THydrogen-bonded Turntrans-75.7-37.8-171.6-66.7-173.9-176.7144.20.6115A243A243-R245 PolarHBondContact O-N 2.9Å
246L78.1Confident88.5Confident121 Ų12177.1 Ų77.163%0.63437%0.369SS*.THydrogen-bonded Turntrans-112.6-3.7-173.5-66.3176.8000113.6Q248L246-Q248 HydrophobicContact CB-CB 4.19Å; L246-Q248 HydrophobicContact CB-CG 3.89Å; L246-Q248 PolarHBondContact O-N 2.91Å
247R77.9Confident87.8Confident206 Ų20678.7 Ų78.778%0.77738%0.376SS*.  trans47.319.8-166.9-69.2-172.2173.8-178.4-0.5113.9R242 A243R242-R247 VanDerWaalsContact CD-O 3.32Å; R242-R247 WeakPolarHBondContact CD-O 3.42Å; A243-R247 VanDerWaalsContact O-CA 3.26Å; A243-R247 WeakPolarHBondContact O-CA 3.38Å; A243-R247 PolarHBondContact O-N 3.05Å
248Q81.6Confident86.9Confident82 Ų8288 Ų8838%0.38342%0.416SS..  trans-77.7137179.8-77-176.47.400109.5R242 A243 L246 T250R242-Q248 WeakPolarHBondContact CA-O 3.33Å; A243-Q248 PolarHBondContact N-O 2.9Å; L246-Q248 HydrophobicContact CB-CB 4.19Å; L246-Q248 HydrophobicContact CB-CG 3.89Å; L246-Q248 PolarHBondContact O-N 2.91Å; Q248-T250 PolarHBondContact O-N 2.98Å; Q248-T250 PolarHBondContact O-OG1 3.42Å
249P84.1Confident86.4Confident29 Ų2991.5 Ų91.519%0.18844%0.441CS..EExtended strand (participates in β ladder)trans-50116.6166.1-32.740.8000111.6L179 V240L179-P249 HydrophobicContact CD1-CB 3.67Å; L179-P249 HydrophobicContact CG-CB 4.42Å; V240-P249 HydrophobicContact CG2-CB 3.47Å; V240-P249 VanDerWaalsContact CG2-CB 3.47Å; V240-P249 HydrophobicContact CG2-CG 4.02Å
250T86.2Confident85.9Confident77 Ų7795.9 Ų95.947%0.47246%0.455SS..EExtended strand (participates in β ladder)trans-101.6-53.3180-48.10000111.1V241 A243 Q248V241-T250 PolarHBondContact O-N 3.42Å; A243-T250 WeakPolarHBondContact CB-OG1 3.46Å; A243-T250 PolarHBondContact N-OG1 3.12Å; Q248-T250 PolarHBondContact O-N 2.98Å; Q248-T250 PolarHBondContact O-OG1 3.42Å
251F91.3Very high85.9Confident63 Ų6399.5 Ų99.528%0.27647%0.47SS..EExtended strand (participates in β ladder)trans-151.2166.9-178.264.2-89.3000111.2V241 Y260 K262V241-F251 HydrophobicContact CB-CD1 4.25Å; V241-F251 HydrophobicContact CB-CD2 4.19Å; V241-F251 HydrophobicContact CB-CE1 3.87Å; V241-F251 HydrophobicContact CB-CE2 3.82Å; V241-F251 HydrophobicContact CB-CG 4.4Å; V241-F251 HydrophobicContact CB-CZ 3.64Å; V241-F251 HydrophobicContact CG1-CE1 3.8Å; V241-F251 HydrophobicContact CG1-CE2 4.3Å; V241-F251 HydrophobicContact CG1-CZ 3.64Å; V241-F251 HydrophobicContact CG2-CD2 4.08Å; V241-F251 HydrophobicContact CG2-CE1 4.46Å; V241-F251 HydrophobicContact CG2-CE2 3.52Å; V241-F251 HydrophobicContact CG2-CZ 3.74Å; V241-F251 PolarHBondContact N-O 3.47Å; F251-Y260 HydrophobicContact CZ-CD1 4.39Å; F251-K262 HydrophobicContact CD2-CG 4.37Å
252L93.9Very high86.1Confident13 Ų13104.8 Ų104.87%0.06849%0.492CS..EExtended strand (participates in β ladder)trans-97.2139.9177.3-61.7171.8000110.1L179 H183 V238 V269L179-L252 HydrophobicContact CB-CD1 4.04Å; L179-L252 HydrophobicContact CB-CD2 3.97Å; L179-L252 HydrophobicContact CB-CG 3.9Å; L179-L252 HydrophobicContact CD1-CD2 4.43Å; H183-L252 HydrophobicContact CB-CD1 4.26Å; V238-L252 HydrophobicContact CB-CB 4.28Å; V238-L252 HydrophobicContact CG2-CB 4.45Å; V238-L252 HydrophobicContact CG2-CD1 4.22Å; V238-L252 HydrophobicContact CG2-CD2 4.08Å; V238-L252 HydrophobicContact CG2-CG 4.48Å; L252-V269 HydrophobicContact CD1-CG2 4.12Å
253K93.9Very high86.4Confident34 Ų3498.7 Ų98.715%0.14847%0.471CS..EExtended strand (participates in β ladder)trans-124.8155.5168.767.8171175.71420110.8V238 E239 V241 K255 Y260 Q261V238-K253 CarbonylContact C-O 3.58Å; V238-K253 WeakPolarHBondContact CA-O 3.46Å; V238-K253 WeakPolarHBondContact CB-O 3.37Å; E239-K253 HydrophobicContact CG-CD 4.37Å; E239-K253 HydrophobicContact CG-CG 3.81Å; E239-K253 PolarHBondContact N-O 3.29Å; E239-K253 PolarHBondContact O-N 2.92Å; E239-K253 WeakPolarHBondContact OE1-CE 3.41Å; E239-K253 IonicContact OE1-NZ 3.9Å; E239-K253 PolarHBondContact OE1-NZ 3.47Å; V241-K253 HydrophobicContact CG2-CB 4.07Å; V241-K253 HydrophobicContact CG2-CD 3.56Å; V241-K253 HydrophobicContact CG2-CG 3.62Å; K253-K255 PolarHBondContact O-N 2.89Å; K253-Y260 HydrophobicContact CD-CD1 3.99Å; K253-Y260 HydrophobicContact CD-CE1 4.19Å; K253-Q261 WeakPolarHBondContact CA-O 3.36Å
254I95.3Very high87Confident14 Ų14103 Ų1037%0.07249%0.486CS..EExtended strand (participates in β ladder)trans-69.8126.1177.8-59.9175.6000109.4V236 I257 Q261V236-I254 HydrophobicContact CG1-CB 4.2Å; V236-I254 HydrophobicContact CG1-CD1 4.23Å; V236-I254 HydrophobicContact CG1-CG1 3.85Å; V236-I254 HydrophobicContact CG1-CG2 3.56Å; I254-I257 HydrophobicContact CB-CB 4.43Å; I254-I257 HydrophobicContact CB-CD1 4.19Å; I254-I257 HydrophobicContact CB-CG1 4.39Å; I254-I257 HydrophobicContact CD1-CD1 3.97Å; I254-I257 HydrophobicContact CG2-CB 4.22Å; I254-I257 HydrophobicContact CG2-CD1 3.77Å; I254-I257 HydrophobicContact CG2-CG1 3.77Å; I254-Q261 HydrophobicContact CD1-CB 4.4Å; I254-Q261 HydrophobicContact CD1-CG 4.07Å; I254-Q261 PolarHBondContact N-O 3.09Å
255K91.4Very high87.8Confident106 Ų106103.6 Ų103.646%0.46148%0.475SS..SBendtrans-71.1-35.8-173.9-175.5177.6-178.11780113.4Q237 E239 K253 I257Q237-K255 HydrophobicContact CB-CB 4.48Å; Q237-K255 HydrophobicContact CG-CB 4.38Å; Q237-K255 HydrophobicContact CG-CD 4.07Å; Q237-K255 WeakPolarHBondContact O-CB 3Å; Q237-K255 PolarHBondContact O-N 2Å; E239-K255 HydrophobicContact CG-CB 4.43Å; K253-K255 PolarHBondContact O-N 2.89Å; K255-I257 VanDerWaalsContact C-N 3.29Å; K255-I257 PolarHBondContact O-N 2.93Å
256Q85.1Confident88.7Confident157 Ų15793 Ų9373%0.73444%0.437SS*.SBendtrans-76.7-17-175.1-68.4179.5-17.800113.3
257I83.7Confident89.7Confident61 Ų6188.5 Ų88.531%0.31341%0.414SS..  trans-101127.3-175.2-59.6177.2000108.1I254 K255 S259 Q261I254-I257 HydrophobicContact CB-CB 4.43Å; I254-I257 HydrophobicContact CB-CD1 4.19Å; I254-I257 HydrophobicContact CB-CG1 4.39Å; I254-I257 HydrophobicContact CD1-CD1 3.97Å; I254-I257 HydrophobicContact CG2-CB 4.22Å; I254-I257 HydrophobicContact CG2-CD1 3.77Å; I254-I257 HydrophobicContact CG2-CG1 3.77Å; K255-I257 VanDerWaalsContact C-N 3.29Å; K255-I257 PolarHBondContact O-N 2.93Å; I257-S259 PolarHBondContact O-N 2.86Å; I257-Q261 HydrophobicContact CG2-CB 4.43Å
258K79.1Confident90.6Very high215 Ų21578.7 Ų78.794%0.93538%0.377SS*.SBendtrans-64-25.9178.9-67.6-174.4-179.6179.30112.6
259S84.4Confident91.4Very high76 Ų7674.8 Ų74.853%0.53136%0.359SS..SBendtrans-74.8158.5177.3-171.70000112.8I257 Q261I257-S259 PolarHBondContact O-N 2.86Å; S259-Q261 PolarHBondContact O-N 2.9Å
260Y84.6Confident92.1Very high162 Ų16274.6 Ų74.664%0.63536%0.355SS*.  trans-76.457.3171.5-77.5-85.9000111.7V241 F251 K253V241-Y260 HydrophobicContact CG1-CE1 4.32Å; V241-Y260 HydrophobicContact CG2-CD1 4.35Å; V241-Y260 HydrophobicContact CG2-CE1 4.19Å; F251-Y260 HydrophobicContact CZ-CD1 4.39Å; K253-Y260 HydrophobicContact CD-CD1 3.99Å; K253-Y260 HydrophobicContact CD-CE1 4.19Å
261Q92.9Very high92.6Very high99 Ų9973 Ų7346%0.46334%0.343SS..PPolyproline II helixtrans-86.3128.5177.3-168.4168.36.200110.9K253 I254 I257 S259K253-Q261 WeakPolarHBondContact CA-O 3.36Å; I254-Q261 HydrophobicContact CD1-CB 4.4Å; I254-Q261 HydrophobicContact CD1-CG 4.07Å; I254-Q261 PolarHBondContact N-O 3.09Å; I257-Q261 HydrophobicContact CG2-CB 4.43Å; S259-Q261 PolarHBondContact O-N 2.9Å
262K93.8Very high92.8Very high136 Ų13674.5 Ų74.559%0.59135%0.351SS*.PPolyproline II helixtrans-83.5146.8171.8-67-177.3-179.1176.80109.9F251F251-K262 HydrophobicContact CD2-CG 4.37Å
263P95.3Very high92.8Very high18 Ų1881.7 Ų81.712%0.11738%0.381CS..PPolyproline II helixtrans-61.1154.2170.328.7-35.7000110.8V238 D267 V269V238-P263 HydrophobicContact CG1-CG 4.39Å; P263-D267 HydrophobicContact CB-CB 4.3Å; P263-V269 HydrophobicContact CB-CG1 3.61Å; P263-V269 HydrophobicContact CG-CG1 3.91Å
264M96Very high92.9Very high129 Ų12981.3 Ų81.364%0.63538%0.383SS*.PPolyproline II helixtrans-68.8158172.4-55.1-175.177.100110.5H183 T266 D267H183-M264 PolarHBondContact CE1-O 2.69Å; H183-M264 PolarHBondContact NE2-O 3.4Å; M264-T266 PolarHBondContact O-N 2.85Å; M264-D267 HydrophobicContact CB-CB 4.42Å; M264-D267 WeakPolarHBondContact CB-OD2 3.49Å; M264-D267 WeakPolarHBondContact CG-OD2 3.48Å; M264-D267 PolarHBondContact N-OD2 2.9Å; M264-D267 WeakPolarHBondContact O-CB 3.44Å; M264-D267 PolarHBondContact O-N 3.48Å; M264-D267 VanDerWaalsContact O-N 3.09Å
265E96.4Very high92.8Very high136 Ų13682.7 Ų82.764%0.63639%0.393SS*.THydrogen-bonded Turntrans-59.4-31.4-178.3-64-177.2175.600113.1A187A187-E265 VanDerWaalsContact CA-O 3.28Å; A187-E265 WeakPolarHBondContact CA-O 2.99Å; A187-E265 VanDerWaalsContact CB-O 3.31Å; A187-E265 WeakPolarHBondContact CB-O 3.33Å
266T97.8Very high92.8Very high18 Ų1882.5 Ų82.511%0.1140%0.397CS..THydrogen-bonded Turntrans-98.23179.258.70000114K190 V191 K231 M264K190-T266 HydrophobicContact CB-CG2 4.06Å; K190-T266 HydrophobicContact CG-CG2 3.59Å; V191-T266 HydrophobicContact CG2-CG2 4.18Å; K231-T266 PolarHBondContact NZ-OG1 3.07Å; M264-T266 PolarHBondContact O-N 2.85Å
267D98.2Very high93.3Very high27 Ų2775.6 Ų75.614%0.14436%0.364CS..  trans-75.1135.8175.9-71.8-17.7000110.2H183 K231 P263 M264H183-D267 PolarHBondContact CD2-O 3.41Å; H183-D267 VanDerWaalsContact CD2-O 3.23Å; H183-D267 PolarHBondContact NE2-O 3.02Å; K231-D267 IonicContact NZ-OD1 2.72Å; P263-D267 HydrophobicContact CB-CB 4.3Å; M264-D267 HydrophobicContact CB-CB 4.42Å; M264-D267 WeakPolarHBondContact CB-OD2 3.49Å; M264-D267 WeakPolarHBondContact CG-OD2 3.48Å; M264-D267 PolarHBondContact N-OD2 2.9Å; M264-D267 WeakPolarHBondContact O-CB 3.44Å; M264-D267 PolarHBondContact O-N 3.48Å; M264-D267 VanDerWaalsContact O-N 3.09Å
268L98.6Very high93.8Very high1 Ų173.2 Ų73.21%0.00535%0.353CS..  trans-81.4133.7166.4-64.3-172.6000109.7A105 F106 A109 N184 A187 L228 K231 A235 V236A105-L268 HydrophobicContact CB-CB 4.2Å; F106-L268 HydrophobicContact CB-CD1 4.4Å; F106-L268 HydrophobicContact CD2-CD1 4.4Å; A109-L268 HydrophobicContact CB-CD2 3.56Å; N184-L268 WeakPolarHBondContact OD1-CA 3.39Å; A187-L268 HydrophobicContact CB-CD2 4.07Å; L228-L268 HydrophobicContact CD2-CD2 4.43Å; K231-L268 HydrophobicContact CB-CD1 4.16Å; K231-L268 HydrophobicContact CB-CG 3.97Å; A235-L268 CarbonylContact C-O 3.4Å; A235-L268 VanDerWaalsContact CA-O 3.28Å; A235-L268 WeakPolarHBondContact CA-O 3.33Å; A235-L268 HydrophobicContact CB-CB 4.08Å; A235-L268 WeakPolarHBondContact CB-O 3.36Å; V236-L268 PolarHBondContact N-O 2.89Å
269V98.3Very high94.5Very high0 Ų068.5 Ų68.50%033%0.334CS..EExtended strand (participates in β ladder)trans-124.4142.3-173.1-58.90000112.1A105 M180 H183 N184 V236 V238 L252 P263A105-V269 VanDerWaalsContact CB-O 3.27Å; A105-V269 WeakPolarHBondContact CB-O 3.4Å; M180-V269 HydrophobicContact CG-CG2 3.97Å; M180-V269 VanDerWaalsContact CG-O 3.28Å; M180-V269 WeakPolarHBondContact CG-O 3.19Å; H183-V269 HydrophobicContact CB-CG2 4Å; H183-V269 VanDerWaalsContact CD2-CG2 3.45Å; H183-V269 WeakPolarHBondContact CD2-CG2 3.44Å; N184-V269 PolarHBondContact ND2-O 2.98Å; N184-V269 PolarHBondContact OD1-N 3.17Å; V236-V269 WeakPolarHBondContact O-CA 3.32Å; V238-V269 HydrophobicContact CB-CB 4.5Å; V238-V269 HydrophobicContact CG1-CB 3.79Å; V238-V269 HydrophobicContact CG1-CG1 3.75Å; V238-V269 HydrophobicContact CG2-CB 3.87Å; V238-V269 HydrophobicContact CG2-CG2 4.24Å; L252-V269 HydrophobicContact CD1-CG2 4.12Å; P263-V269 HydrophobicContact CB-CG1 3.61Å; P263-V269 HydrophobicContact CG-CG1 3.91Å
270Y97.7Very high94.8Very high25 Ų2572.1 Ų72.110%0.09834%0.343CS..EExtended strand (participates in β ladder)trans-137.3151.2179.469.7-87.6000111.2G100 R102 A235 V236 Q237 V238 E272G100-Y270 CarbonylContact O-C 3.52Å; G100-Y270 WeakPolarHBondContact O-CB 3.47Å; R102-Y270 HydrophobicContact CG-CD1 3.33Å; R102-Y270 HydrophobicContact CG-CD2 4.26Å; R102-Y270 HydrophobicContact CG-CE1 3.54Å; R102-Y270 HydrophobicContact CG-CE2 4.44Å; R102-Y270 HydrophobicContact CG-CG 3.69Å; A235-Y270 HydrophobicContact CB-CD1 4.03Å; A235-Y270 HydrophobicContact CB-CE1 4.21Å; A235-Y270 WeakPolarHBondContact O-CE1 3.45Å; V236-Y270 VanDerWaalsContact C-CE1 3.42Å; V236-Y270 WeakPolarHBondContact O-CD1 3.34Å; V236-Y270 PolarHBondContact O-N 2.98Å; Q237-Y270 CarbonylContact C-O 3.37Å; Q237-Y270 WeakPolarHBondContact CA-O 3.28Å; Q237-Y270 HydrophobicContact CB-CD2 4.25Å; Q237-Y270 HydrophobicContact CB-CE1 4.11Å; Q237-Y270 HydrophobicContact CB-CE2 3.63Å; Q237-Y270 HydrophobicContact CG-CD2 4.03Å; Q237-Y270 HydrophobicContact CG-CE2 3.65Å; V238-Y270 WeakPolarHBondContact CG2-O 3.4Å; V238-Y270 PolarHBondContact N-O 2.85Å; Y270-E272 WeakPolarHBondContact CD2-O 3.21Å
271I96.8Very high95Very high43 Ų4367.3 Ų67.322%0.22133%0.328CS..SBendtrans-99.8-39.1-178.8-62.4166.4000110.3G100 A176 M180 Q237 V238G100-I271 PolarHBondContact O-N 3.21Å; A176-I271 HydrophobicContact CB-CD1 3.78Å; A176-I271 WeakPolarHBondContact O-CD1 3.2Å; M180-I271 HydrophobicContact CB-CD1 3.8Å; M180-I271 HydrophobicContact CB-CG1 4.23Å; M180-I271 HydrophobicContact CG-CD1 4.22Å; M180-I271 HydrophobicContact CG-CG1 4.17Å; M180-I271 HydrophobicContact SD-CB 4.46Å; M180-I271 HydrophobicContact SD-CD1 4.06Å; M180-I271 HydrophobicContact SD-CG1 3.96Å; Q237-I271 PolarHBondContact NE2-O 3.45Å; V238-I271 HydrophobicContact CG2-CG1 4.21Å
272E95.1Very high94.5Very high95 Ų9566.6 Ų66.644%0.44434%0.339SS..SBendtrans-116.3146.5-172.2-64.2175.3-94.700110.8V99 G100 S101 Y270V99-E272 HydrophobicContact CG1-CB 3.74Å; G100-E272 WeakPolarHBondContact CA-OE1 3.31Å; G100-E272 PolarHBondContact N-OE1 3.44Å; G100-E272 PolarHBondContact O-N 2.92Å; S101-E272 WeakPolarHBondContact CA-O 3.34Å; Y270-E272 WeakPolarHBondContact CD2-O 3.21Å
273K95.2Very high93.9Very high163 Ų16362.6 Ų62.671%0.70933%0.328SS*.PPolyproline II helixtrans-65.2142.8177.9-68.1-175.4177.6-177.70110.1
274S94.7Very high93.3Very high27 Ų2762.4 Ų62.419%0.18933%0.327CS..PPolyproline II helixtrans-57.3132.8172.3-57.10000110.7R102 E103R102-S274 PolarHBondContact NE-OG 3.1Å; E103-S274 VanDerWaalsContact CD-OG 3.24Å; E103-S274 VanDerWaalsContact OE1-CB 3.28Å; E103-S274 WeakPolarHBondContact OE1-CB 3.34Å; E103-S274 PolarHBondContact OE1-OG 3.08Å; E103-S274 WeakPolarHBondContact OE2-CB 3.42Å; E103-S274 PolarHBondContact OE2-OG 3.32Å
275P93.3Very high92.5Very high42 Ų4256.5 Ų56.527%0.27330%0.298SS..PPolyproline II helixtrans-53.4165.5162.5-24.633.2000112.3Y277 T284P275-Y277 VanDerWaalsContact C-N 3.31Å; P275-Y277 HydrophobicContact CB-CD1 4.3Å; P275-Y277 HydrophobicContact CB-CE1 4.11Å; P275-Y277 HydrophobicContact CB-CE2 4.42Å; P275-Y277 WeakPolarHBondContact CD-OH 3.48Å; P275-Y277 HydrophobicContact CG-CE1 4.16Å; P275-Y277 WeakPolarHBondContact O-CD2 3.35Å; P275-Y277 VanDerWaalsContact O-CE2 3.28Å; P275-Y277 WeakPolarHBondContact O-CE2 3.5Å; P275-T284 HydrophobicContact CG-CG2 3.94Å
276N92.8Very high92.1Very high102 Ų10250.2 Ų50.255%0.54527%0.27SS..  trans-76-19.7178.166.220.9000113.4R81 C278R81-N276 WeakPolarHBondContact CD-O 3.5Å; R81-N276 PolarHBondContact NH1-O 3.3Å; N276-C278 VanDerWaalsContact CG-SG 3.55Å; N276-C278 PolarHBondContact O-N 2.99Å; N276-C278 PolarHBondContact OD1-N 3.05Å
277Y94Very high91.8Very high12 Ų1252.7 Ų52.75%0.04728%0.284CS..  trans54.925.4-177.3-54.3-74.2000114.9W82 S101 E103 P275 S286W82-Y277 HydrophobicContact CB-CD1 4.08Å; W82-Y277 HydrophobicContact CB-CD2 3.71Å; W82-Y277 HydrophobicContact CB-CE1 4.25Å; W82-Y277 HydrophobicContact CB-CE2 3.86Å; W82-Y277 HydrophobicContact CB-CG 3.8Å; W82-Y277 AromaticContact CD1-CD1 3.81Å; W82-Y277 AromaticContact CD1-CE1 3.58Å; W82-Y277 AromaticContact CD1-CZ 3.98Å; W82-Y277 HydrophobicContact CG-CD1 4.29Å; W82-Y277 HydrophobicContact CG-CE1 4.12Å; W82-Y277 HydrophobicContact CG-CE2 4.33Å; W82-Y277 HydrophobicContact CG-CG 4.49Å; S101-Y277 PolarHBondContact OG-OH 3.49Å; E103-Y277 VanDerWaalsContact CD-CE2 3.48Å; E103-Y277 HydrophobicContact CG-CE2 3.96Å; E103-Y277 WeakPolarHBondContact CG-OH 3.1Å; E103-Y277 PolarHBondContact OE2-OH 3.47Å; P275-Y277 VanDerWaalsContact C-N 3.31Å; P275-Y277 HydrophobicContact CB-CD1 4.3Å; P275-Y277 HydrophobicContact CB-CE1 4.11Å; P275-Y277 HydrophobicContact CB-CE2 4.42Å; P275-Y277 WeakPolarHBondContact CD-OH 3.48Å; P275-Y277 HydrophobicContact CG-CE1 4.16Å; P275-Y277 WeakPolarHBondContact O-CD2 3.35Å; P275-Y277 VanDerWaalsContact O-CE2 3.28Å; P275-Y277 WeakPolarHBondContact O-CE2 3.5Å; Y277-S286 WeakPolarHBondContact CA-OG 3.22Å; Y277-S286 PolarHBondContact O-OG 3.24Å
278C94.6Very high91.5Very high11 Ų1151.6 Ų51.67%0.07428%0.28CS..  trans-79.8-35.9-176.2-61.10000113N276 G288 T289 C309 R311N276-C278 VanDerWaalsContact CG-SG 3.55Å; N276-C278 PolarHBondContact O-N 2.99Å; N276-C278 PolarHBondContact OD1-N 3.05Å; C278-G288 WeakPolarHBondContact O-CA 3.28Å; C278-T289 PolarHBondContact O-N 3.24Å; C278-T289 PolarHBondContact O-OG1 3.01Å; C278-C309 VanDerWaalsContact CA-SG 3.56Å; C278-C309 HydrophobicContact CB-CB 3.73Å; C278-C309 WeakPolarHBondContact CB-SG 3.39Å; C278-C309 WeakPolarHBondContact SG-CB 3.48Å; C278-C309 CovalentContact SG-SG 2.02Å; C278-C309 PolarHBondContact SG-SG 2.73Å; C278-R311 PolarHBondContact O-NH1 2.92Å
279E94.1Very high91.4Very high116 Ų11651.5 Ų51.554%0.54228%0.279SS..SBendtrans-106.7156.3179-57-51.7139.500110.1D281 S286 G288 R311E279-D281 PolarHBondContact O-N 3.37Å; E279-S286 WeakPolarHBondContact O-CB 3.35Å; E279-S286 PolarHBondContact O-OG 2.78Å; E279-G288 VanDerWaalsContact C-CA 3.44Å; E279-R311 IonicContact OE1-CZ 3.83Å; E279-R311 IonicContact OE1-NH1 2.71Å; E279-R311 PolarHBondContact OE1-NH1 3.4Å
280E91.1Very high91.2Very high153 Ų15358 Ų5872%0.71531%0.309SS*.EExtended strand (participates in β ladder)trans-65.4131172.4-172.2178.4173.700110.1S286E280-S286 WeakPolarHBondContact CA-O 3.39Å
281D89.1Confident91.1Very high60 Ų6059.1 Ų59.132%0.32133%0.329SS..EExtended strand (participates in β ladder)trans-152.599.2177.1172.613.9000108.8E279 S283 T284 G285 S286E279-D281 PolarHBondContact O-N 3.37Å; D281-S283 PolarHBondContact O-N 2.62Å; D281-S283 VanDerWaalsContact O-N 3.09Å; D281-S283 WeakPolarHBondContact OD1-CA 3.48Å; D281-S283 VanDerWaalsContact OD1-CB 3.24Å; D281-S283 WeakPolarHBondContact OD1-CB 3.28Å; D281-S283 PolarHBondContact OD1-N 2.96Å; D281-S283 PolarHBondContact OD1-OG 3.38Å; D281-S283 PolarHBondContact OD2-OG 3.49Å; D281-T284 WeakPolarHBondContact CB-OG1 3.49Å; D281-T284 PolarHBondContact O-N 3.39Å; D281-T284 VanDerWaalsContact O-N 3.17Å; D281-T284 PolarHBondContact O-OG1 2.68Å; D281-T284 WeakPolarHBondContact OD2-CB 3.11Å; D281-T284 WeakPolarHBondContact OD2-CG2 3.41Å; D281-T284 PolarHBondContact OD2-OG1 2.68Å; D281-G285 PolarHBondContact O-N 3.33Å; D281-S286 CarbonylContact C-O 3.54Å; D281-S286 PolarHBondContact N-O 3.03Å; D281-S286 PolarHBondContact O-N 3.41Å
282A82.2Confident91Very high85 Ų8558.9 Ų58.970%0.70233%0.326SS*.THydrogen-bonded Turntrans-57.8-23.517800000113.1
283S80Confident91Very high52 Ų5260.2 Ų60.236%0.36434%0.335SS..THydrogen-bonded Turntrans-77.9-30.1-179.182.10000113.3R98 D281R98-S283 WeakPolarHBondContact CB-O 3.34Å; D281-S283 PolarHBondContact O-N 2.62Å; D281-S283 VanDerWaalsContact O-N 3.09Å; D281-S283 WeakPolarHBondContact OD1-CA 3.48Å; D281-S283 VanDerWaalsContact OD1-CB 3.24Å; D281-S283 WeakPolarHBondContact OD1-CB 3.28Å; D281-S283 PolarHBondContact OD1-N 2.96Å; D281-S283 PolarHBondContact OD1-OG 3.38Å; D281-S283 PolarHBondContact OD2-OG 3.49Å
284T82.5Confident91Very high14 Ų1453.1 Ų53.19%0.08631%0.306CS..THydrogen-bonded Turntrans-97.2-6.6172.755.10000112.5V99 P275 D281 S286V99-T284 HydrophobicContact CG2-CG2 3.93Å; P275-T284 HydrophobicContact CG-CG2 3.94Å; D281-T284 WeakPolarHBondContact CB-OG1 3.49Å; D281-T284 PolarHBondContact O-N 3.39Å; D281-T284 VanDerWaalsContact O-N 3.17Å; D281-T284 PolarHBondContact O-OG1 2.68Å; D281-T284 WeakPolarHBondContact OD2-CB 3.11Å; D281-T284 WeakPolarHBondContact OD2-CG2 3.41Å; D281-T284 PolarHBondContact OD2-OG1 2.68Å; T284-S286 VanDerWaalsContact C-N 3.27Å
285G79.9Confident91Very high4 Ų454.8 Ų54.84%0.04131%0.313CS..THydrogen-bonded Turntrans72.423.5-174.200000112.8D281D281-G285 PolarHBondContact O-N 3.33Å
286S88.5Confident91Very high5 Ų558.6 Ų58.64%0.03532%0.321CS..EExtended strand (participates in β ladder)trans-80126.8173.9-170.20000109.5Y277 E279 E280 D281 T284 G288Y277-S286 WeakPolarHBondContact CA-OG 3.22Å; Y277-S286 PolarHBondContact O-OG 3.24Å; E279-S286 WeakPolarHBondContact O-CB 3.35Å; E279-S286 PolarHBondContact O-OG 2.78Å; E280-S286 WeakPolarHBondContact CA-O 3.39Å; D281-S286 CarbonylContact C-O 3.54Å; D281-S286 PolarHBondContact N-O 3.03Å; D281-S286 PolarHBondContact O-N 3.41Å; T284-S286 VanDerWaalsContact C-N 3.27Å; S286-G288 VanDerWaalsContact C-N 3.3Å; S286-G288 PolarHBondContact OG-N 3.4Å
287V90.3Very high91Very high69 Ų6959 Ų5942%0.41833%0.328SS..EExtended strand (participates in β ladder)trans-924.3168.5-65.60000112.2S85S85-V287 WeakPolarHBondContact OG-CG1 3.45Å
288G93.5Very high91Very high4 Ų459.3 Ų59.34%0.04133%0.332CS..  trans69.9178.5-171.900000113.5C278 E279 S286 R292C278-G288 WeakPolarHBondContact O-CA 3.28Å; E279-G288 VanDerWaalsContact C-CA 3.44Å; S286-G288 VanDerWaalsContact C-N 3.3Å; S286-G288 PolarHBondContact OG-N 3.4Å; G288-R292 VanDerWaalsContact O-CD 3.32Å; G288-R292 WeakPolarHBondContact O-CD 3.16Å
289T95.1Very high90.8Very high0 Ų064.3 Ų64.30%036%0.364CS..SBendtrans-114-5.5179.758.90000114.4R81 C278 G291 R292 M307 R311 C348R81-T289 HydrophobicContact CB-CG2 3.85Å; R81-T289 HydrophobicContact CG-CG2 3.93Å; C278-T289 PolarHBondContact O-N 3.24Å; C278-T289 PolarHBondContact O-OG1 3.01Å; T289-G291 PolarHBondContact O-N 3.37Å; T289-R292 WeakPolarHBondContact O-CB 3.31Å; T289-R292 PolarHBondContact O-N 2.78Å; T289-R292 VanDerWaalsContact O-N 3.13Å; T289-M307 WeakPolarHBondContact CB-O 3.32Å; T289-M307 VanDerWaalsContact CG2-O 3.22Å; T289-M307 WeakPolarHBondContact CG2-O 3.18Å; T289-M307 PolarHBondContact OG1-O 2.81Å; T289-R311 PolarHBondContact OG1-NH2 2.59Å; T289-C348 WeakPolarHBondContact O-CB 3.33Å
290Q95Very high90.6Very high135 Ų13563.8 Ų63.863%0.63137%0.365SS*.THydrogen-bonded Turntrans-59.4134.9178.8-175.4164.848.800111.1R292 K349Q290-R292 PolarHBondContact O-N 3.42Å; Q290-R292 VanDerWaalsContact O-N 3.09Å; Q290-K349 PolarHBondContact NE2-OXT 3.03Å
291G94.3Very high90.5Very high50 Ų5059.3 Ų59.352%0.51535%0.354SS..THydrogen-bonded Turntrans70.2-2.2-178.500000115.4T289 C348T289-G291 PolarHBondContact O-N 3.37Å; G291-C348 PolarHBondContact N-O 2.96Å
292R94.9Very high90.7Very high38 Ų3858.2 Ų58.214%0.14335%0.348CS..  trans-74.3146.4178.8-67.2-171.164-165.8-6.6111.6R78 G80 R81 G288 T289 Q290 T347 C348R78-R292 PolarHBondContact O-NH2 2.93Å; R78-R292 VanDerWaalsContact O-NH2 3.12Å; G80-R292 PolarHBondContact O-NH1 3.07Å; G80-R292 PolarHBondContact O-NH2 3.38Å; R81-R292 PolarHBondContact O-NH1 2.93Å; G288-R292 VanDerWaalsContact O-CD 3.32Å; G288-R292 WeakPolarHBondContact O-CD 3.16Å; T289-R292 WeakPolarHBondContact O-CB 3.31Å; T289-R292 PolarHBondContact O-N 2.78Å; T289-R292 VanDerWaalsContact O-N 3.13Å; Q290-R292 PolarHBondContact O-N 3.42Å; Q290-R292 VanDerWaalsContact O-N 3.09Å; R292-T347 CarbonylContact O-C 3.57Å; R292-T347 VanDerWaalsContact O-CA 3.31Å; R292-T347 WeakPolarHBondContact O-CA 3.41Å; R292-C348 PolarHBondContact O-N 3.44Å
293L95Very high91.3Very high122 Ų12254.2 Ų54.264%0.63932%0.316SS*.EExtended strand (participates in β ladder)trans-64138173.5-64.9173000111V345 F346 T347L293-V345 HydrophobicContact CD2-CG1 3.24Å; L293-F346 WeakPolarHBondContact CA-O 3.33Å; L293-T347 HydrophobicContact CD2-CG2 4.07Å
294C95.5Very high92Very high15 Ų1552 Ų5210%0.10130%0.3CS..EExtended strand (participates in β ladder)trans-137.1161.2174.169.10000111.4C304 M307 F346C294-C304 HydrophobicContact CB-CB 3.82Å; C294-C304 WeakPolarHBondContact CB-SG 3.42Å; C294-C304 VanDerWaalsContact SG-CA 3.54Å; C294-C304 WeakPolarHBondContact SG-CB 3.11Å; C294-C304 CovalentContact SG-SG 2.05Å; C294-C304 PolarHBondContact SG-SG 2.88Å; C294-M307 HydrophobicContact CB-CB 3.93Å; C294-M307 HydrophobicContact CB-CG 4.37Å; C294-F346 PolarHBondContact N-O 3.14Å
295N95.2Very high92.6Very high62 Ų6257.4 Ų57.433%0.33233%0.328SS..BIsolated β-bridgetrans-105.5115.8179.1-172.1-12000110.4T297 D302 G303 C304N295-T297 VanDerWaalsContact C-N 3.3Å; N295-T297 PolarHBondContact O-N 3.09Å; N295-T297 PolarHBondContact OD1-N 3.13Å; N295-T297 PolarHBondContact OD1-OG1 2.88Å; N295-T297 VanDerWaalsContact OD1-OG1 3.12Å; N295-D302 WeakPolarHBondContact CB-OD2 3.39Å; N295-D302 PolarHBondContact N-O 3.44Å; N295-D302 PolarHBondContact ND2-OD2 2.77Å; N295-G303 CarbonylContact O-C 3.53Å; N295-G303 WeakPolarHBondContact O-CA 3.04Å; N295-C304 VanDerWaalsContact C-SG 3.52Å; N295-C304 PolarHBondContact O-N 2.9Å
296R93.7Very high93.2Very high121 Ų12162 Ų6246%0.45735%0.35SS..THydrogen-bonded Turntrans-67.4-28.7-177.2-175.4174.963.580.7-5.1113.5Y313 F346R296-Y313 WeakPolarHBondContact CD-OH 2.83Å; R296-Y313 HydrophobicContact CG-CE2 4.23Å; R296-Y313 WeakPolarHBondContact CG-OH 3.26Å; R296-F346 HydrophobicContact CB-CD1 4.23Å; R296-F346 HydrophobicContact CB-CD2 3.83Å; R296-F346 HydrophobicContact CB-CE1 4.18Å; R296-F346 HydrophobicContact CB-CE2 3.8Å; R296-F346 HydrophobicContact CB-CG 4.07Å; R296-F346 HydrophobicContact CB-CZ 3.99Å; R296-F346 VanDerWaalsContact NE-CZ 3.29Å
297T92.7Very high93.5Very high112 Ų11261.8 Ų61.869%0.68735%0.349SS*.THydrogen-bonded Turntrans-96.8-8.6-175.757.60000113.5N295N295-T297 VanDerWaalsContact C-N 3.3Å; N295-T297 PolarHBondContact O-N 3.09Å; N295-T297 PolarHBondContact OD1-N 3.13Å; N295-T297 PolarHBondContact OD1-OG1 2.88Å; N295-T297 VanDerWaalsContact OD1-OG1 3.12Å
298S93.6Very high93.8Very high18 Ų1858.6 Ų58.613%0.12633%0.329CS..  trans-84131.4-179.6-176.20000111.4N300 D302 G303S298-N300 VanDerWaalsContact C-N 3.27Å; S298-N300 PolarHBondContact OG-N 2.89Å; S298-N300 VanDerWaalsContact OG-N 3.14Å; S298-N300 PolarHBondContact OG-ND2 3.06Å; S298-D302 WeakPolarHBondContact CB-OD1 3.4Å; S298-D302 WeakPolarHBondContact CB-OD2 2.95Å; S298-D302 PolarHBondContact OG-OD1 3.49Å; S298-D302 PolarHBondContact OG-OD2 2.92Å; S298-G303 WeakPolarHBondContact O-CA 3.35Å
299P90.3Very high93.8Very high115 Ų11560.1 Ų60.175%0.74734%0.339SS*.  trans-83.4-3169.535.1-35.6000112.9
300N90.2Very high93.7Very high106 Ų10663.5 Ų63.557%0.56737%0.374SS*.SBendtrans-88-170.6-173-58.7-58.6000112S298 D302 G303S298-N300 VanDerWaalsContact C-N 3.27Å; S298-N300 PolarHBondContact OG-N 2.89Å; S298-N300 VanDerWaalsContact OG-N 3.14Å; S298-N300 PolarHBondContact OG-ND2 3.06Å; N300-D302 WeakPolarHBondContact CB-OD1 3.35Å; N300-D302 PolarHBondContact O-N 2.8Å; N300-D302 VanDerWaalsContact O-N 3.11Å; N300-G303 WeakPolarHBondContact O-CA 3.19Å; N300-G303 PolarHBondContact O-N 2.67Å
301A89.1Confident93.7Very high59 Ų5960.7 Ų60.749%0.48836%0.357SS..THydrogen-bonded Turntrans-58.4-25-178.700000114Y79 G303 M307Y79-A301 CarbonylContact O-C 3.54Å; A301-G303 VanDerWaalsContact C-N 3.33Å; A301-M307 WeakPolarHBondContact O-CG 3.4Å
302D92.5Very high93.7Very high36 Ų3659.6 Ų59.619%0.19335%0.346CS..THydrogen-bonded Turntrans-82.1-11.3176.170.3-49.1000113.5Y79 N295 S298 N300 M307Y79-D302 HydrophobicContact CG-CB 4.33Å; Y79-D302 WeakPolarHBondContact O-CA 3.47Å; Y79-D302 PolarHBondContact O-N 3.5Å; N295-D302 WeakPolarHBondContact CB-OD2 3.39Å; N295-D302 PolarHBondContact N-O 3.44Å; N295-D302 PolarHBondContact ND2-OD2 2.77Å; S298-D302 WeakPolarHBondContact CB-OD1 3.4Å; S298-D302 WeakPolarHBondContact CB-OD2 2.95Å; S298-D302 PolarHBondContact OG-OD1 3.49Å; S298-D302 PolarHBondContact OG-OD2 2.92Å; N300-D302 WeakPolarHBondContact CB-OD1 3.35Å; N300-D302 PolarHBondContact O-N 2.8Å; N300-D302 VanDerWaalsContact O-N 3.11Å; D302-M307 WeakPolarHBondContact O-CG 3.4Å
303G95.7Very high93.8Very high2 Ų261.4 Ų61.42%0.02135%0.354CS..BIsolated β-bridgetrans-58.4140.5177.400000112N295 S298 N300 A301 D305 M306 M307N295-G303 CarbonylContact O-C 3.53Å; N295-G303 WeakPolarHBondContact O-CA 3.04Å; S298-G303 WeakPolarHBondContact O-CA 3.35Å; N300-G303 WeakPolarHBondContact O-CA 3.19Å; N300-G303 PolarHBondContact O-N 2.67Å; A301-G303 VanDerWaalsContact C-N 3.33Å; G303-D305 PolarHBondContact O-N 3.45Å; G303-M306 CarbonylContact O-C 3.41Å; G303-M306 PolarHBondContact O-N 2.9Å; G303-M307 WeakPolarHBondContact O-CB 3.46Å; G303-M307 PolarHBondContact O-N 3.31Å
304C95.4Very high93.9Very high4 Ų458.9 Ų58.93%0.02734%0.34CS..Hα-helixtrans-58.3-35.3-179.2-66.40000113.4C294 N295 M306 C308 Y313C294-C304 HydrophobicContact CB-CB 3.82Å; C294-C304 WeakPolarHBondContact CB-SG 3.42Å; C294-C304 VanDerWaalsContact SG-CA 3.54Å; C294-C304 WeakPolarHBondContact SG-CB 3.11Å; C294-C304 CovalentContact SG-SG 2.05Å; C294-C304 PolarHBondContact SG-SG 2.88Å; N295-C304 VanDerWaalsContact C-SG 3.52Å; N295-C304 PolarHBondContact O-N 2.9Å; C304-M306 VanDerWaalsContact C-N 3.3Å; C304-M306 PolarHBondContact O-N 2.02Å; C304-C308 WeakPolarHBondContact O-CB 3.35Å; C304-C308 PolarHBondContact O-N 3.34Å; C304-C308 PolarHBondContact O-SG 2.97Å; C304-Y313 HydrophobicContact CB-CD1 3.36Å; C304-Y313 HydrophobicContact CB-CE1 3.83Å; C304-Y313 HydrophobicContact CB-CG 3.96Å
305D93.4Very high93.9Very high129 Ų12961.5 Ų61.569%0.6936%0.356SS*.Hα-helixtrans-62.4-40.2176.4-61.4-29.1000111.9G303G303-D305 PolarHBondContact O-N 3.45Å
306M93.1Very high93.9Very high99 Ų9961.9 Ų61.949%0.48836%0.356SS..Hα-helixtrans-79.2-56.4177.8-67.6-61.5-78.500110.9R81 G303 C304 C308 C309R81-M306 PolarHBondContact NE-O 2.92Å; R81-M306 PolarHBondContact NH2-O 3.42Å; G303-M306 CarbonylContact O-C 3.41Å; G303-M306 PolarHBondContact O-N 2.9Å; C304-M306 VanDerWaalsContact C-N 3.3Å; C304-M306 PolarHBondContact O-N 2.02Å; M306-C308 VanDerWaalsContact C-N 3.32Å; M306-C308 PolarHBondContact O-N 2.69Å; M306-C309 PolarHBondContact O-N 2.74Å
307M95.3Very high94Very high2 Ų263.7 Ų63.71%0.0137%0.369CS..Hα-helixtrans-57.1-41.7-178.1-76.7-57.6-71.900113.3G80 R81 T289 C294 A301 D302 G303 C309G80-M307 VanDerWaalsContact C-SD 3.51Å; R81-M307 HydrophobicContact CG-SD 4.29Å; T289-M307 WeakPolarHBondContact CB-O 3.32Å; T289-M307 VanDerWaalsContact CG2-O 3.22Å; T289-M307 WeakPolarHBondContact CG2-O 3.18Å; T289-M307 PolarHBondContact OG1-O 2.81Å; C294-M307 HydrophobicContact CB-CB 3.93Å; C294-M307 HydrophobicContact CB-CG 4.37Å; A301-M307 WeakPolarHBondContact O-CG 3.4Å; D302-M307 WeakPolarHBondContact O-CG 3.4Å; G303-M307 WeakPolarHBondContact O-CB 3.46Å; G303-M307 PolarHBondContact O-N 3.31Å; M307-C309 VanDerWaalsContact C-N 3.29Å; M307-C309 PolarHBondContact O-N 2.72Å
308C96.2Very high93.9Very high1 Ų164.5 Ų64.51%0.00736%0.361CS..THydrogen-bonded Turntrans-90.18.8-171.9-490000113.8C304 M306 G310 R311 G312 C348C304-C308 WeakPolarHBondContact O-CB 3.35Å; C304-C308 PolarHBondContact O-N 3.34Å; C304-C308 PolarHBondContact O-SG 2.97Å; M306-C308 VanDerWaalsContact C-N 3.32Å; M306-C308 PolarHBondContact O-N 2.69Å; C308-G310 PolarHBondContact O-N 2.9Å; C308-R311 WeakPolarHBondContact O-CB 3.05Å; C308-R311 PolarHBondContact O-N 3.11Å; C308-G312 WeakPolarHBondContact CB-O 3.01Å; C308-C348 WeakPolarHBondContact CA-SG 3.43Å; C308-C348 HydrophobicContact CB-CB 3.53Å; C308-C348 WeakPolarHBondContact CB-SG 3.42Å; C308-C348 PolarHBondContact N-SG 3.24Å; C308-C348 VanDerWaalsContact N-SG 3.44Å; C308-C348 WeakPolarHBondContact SG-CA 3.17Å; C308-C348 WeakPolarHBondContact SG-CB 3.32Å; C308-C348 CovalentContact SG-SG 2.04Å; C308-C348 PolarHBondContact SG-SG 2.98Å
309C94.6Very high94Very high36 Ų3667.6 Ų67.624%0.24338%0.379CS..THydrogen-bonded Turntrans53.331.5174.2-60.80000114.5C278 M306 M307 R311C278-C309 VanDerWaalsContact CA-SG 3.56Å; C278-C309 HydrophobicContact CB-CB 3.73Å; C278-C309 WeakPolarHBondContact CB-SG 3.39Å; C278-C309 WeakPolarHBondContact SG-CB 3.48Å; C278-C309 CovalentContact SG-SG 2.02Å; C278-C309 PolarHBondContact SG-SG 2.73Å; M306-C309 PolarHBondContact O-N 2.74Å; M307-C309 VanDerWaalsContact C-N 3.29Å; M307-C309 PolarHBondContact O-N 2.72Å; C309-R311 VanDerWaalsContact C-N 3.27Å; C309-R311 PolarHBondContact O-N 3.44Å
310G92.9Very high94.1Very high72 Ų7268 Ų6874%0.74237%0.369SS*.THydrogen-bonded Turntrans75.52.5-176.600000115.8C308 G312C308-G310 PolarHBondContact O-N 2.9Å; G310-G312 PolarHBondContact O-N 2.83Å
311R94.4Very high94.4Very high75 Ų7567.2 Ų67.228%0.28337%0.368SS..SBendtrans-71.5-12.3174.5-59.7-165.9-60.8-103.1-11.6113.3C278 E279 T289 C308 C309 K349C278-R311 PolarHBondContact O-NH1 2.92Å; E279-R311 IonicContact OE1-CZ 3.83Å; E279-R311 IonicContact OE1-NH1 2.71Å; E279-R311 PolarHBondContact OE1-NH1 3.4Å; T289-R311 PolarHBondContact OG1-NH2 2.59Å; C308-R311 WeakPolarHBondContact O-CB 3.05Å; C308-R311 PolarHBondContact O-N 3.11Å; C309-R311 VanDerWaalsContact C-N 3.27Å; C309-R311 PolarHBondContact O-N 3.44Å; R311-K349 HydrophobicContact CB-CB 4.42Å; R311-K349 PolarHBondContact NE-O 3.32Å; R311-K349 PolarHBondContact NH2-O 2.72Å
312G94.9Very high94.8Very high27 Ų2769.3 Ų69.328%0.27836%0.363SS..  trans80.7-175.9-171.600000112.6C308 G310 K349C308-G312 WeakPolarHBondContact CB-O 3.01Å; G310-G312 PolarHBondContact O-N 2.83Å; G312-K349 PolarHBondContact O-N 3.37Å
313Y96.7Very high95Very high77 Ų7774.6 Ų74.630%0.30239%0.387SS..EExtended strand (participates in β ladder)trans-137.9153.7-175.554.8-91.4000111.7R296 C304 F346 T347 K349R296-Y313 WeakPolarHBondContact CD-OH 2.83Å; R296-Y313 HydrophobicContact CG-CE2 4.23Å; R296-Y313 WeakPolarHBondContact CG-OH 3.26Å; C304-Y313 HydrophobicContact CB-CD1 3.36Å; C304-Y313 HydrophobicContact CB-CE1 3.83Å; C304-Y313 HydrophobicContact CB-CG 3.96Å; Y313-F346 HydrophobicContact CD2-CB 4.19Å; Y313-F346 AromaticContact CD2-CD1 3.72Å; Y313-F346 HydrophobicContact CD2-CD1 3.72Å; Y313-F346 HydrophobicContact CD2-CG 4.32Å; Y313-F346 AromaticContact CE2-CD1 3.78Å; Y313-F346 HydrophobicContact CE2-CD1 3.78Å; Y313-F346 HydrophobicContact CE2-CE1 4.3Å; Y313-T347 CarbonylContact C-O 3.35Å; Y313-T347 WeakPolarHBondContact CA-O 3.22Å; Y313-T347 VanDerWaalsContact CB-O 3.25Å; Y313-T347 WeakPolarHBondContact CB-O 3.46Å; Y313-K349 VanDerWaalsContact O-CE 3.32Å; Y313-K349 WeakPolarHBondContact O-CE 3.41Å
314N96.7Very high95Very high68 Ų6875.2 Ų75.236%0.36439%0.391SS..EExtended strand (participates in β ladder)trans-94.2142.1169.8-62.3-43.8000109.1F346 T347 K349N314-F346 VanDerWaalsContact O-CA 3.3Å; N314-F346 WeakPolarHBondContact O-CA 3.15Å; N314-T347 PolarHBondContact N-O 2.9Å; N314-T347 PolarHBondContact O-N 3.36Å; N314-K349 WeakPolarHBondContact OD1-CE 3.11Å; N314-K349 WeakPolarHBondContact OD1-CG 3.25Å
315T96.2Very high95.1Very high71 Ų7180.5 Ų80.544%0.43642%0.419SS..EExtended strand (participates in β ladder)trans-104.4121.6174.1-56.10000108.7E344 F346T315-E344 HydrophobicContact CG2-CB 4.21Å; T315-E344 HydrophobicContact CG2-CG 4.26Å; T315-F346 HydrophobicContact CG2-CD1 4.06Å; T315-F346 HydrophobicContact CG2-CE1 3.62Å; T315-F346 HydrophobicContact CG2-CZ 4.44Å; T315-F346 WeakPolarHBondContact OG1-CD1 3.38Å; T315-F346 WeakPolarHBondContact OG1-CE1 3.35Å
316H94.8Very high95.2Very high70 Ų7077.4 Ų77.432%0.32441%0.407SS..EExtended strand (participates in β ladder)trans-111.2131.9175.8-60.2-82.8000109.5Y318 E344 V345 T347H316-Y318 HydrophobicContact CB-CD2 3.93Å; H316-Y318 HydrophobicContact CB-CE2 3.26Å; H316-E344 CarbonylContact O-C 3.6Å; H316-E344 WeakPolarHBondContact O-CA 3.48Å; H316-V345 PolarHBondContact N-O 3.05Å; H316-V345 PolarHBondContact O-N 3.4Å; H316-T347 PolarHBondContact CD2-OG1 3.05Å; H316-T347 PolarHBondContact NE2-OG1 3.24Å
317Q94.3Very high95.3Very high158 Ų15879.7 Ų79.774%0.73841%0.414SS*.EExtended strand (participates in β ladder)trans-94124174.9-67.5-176.3-9.500109.8
318Y91.7Very high95.4Very high129 Ų12985.9 Ų85.951%0.50644%0.441SS..EExtended strand (participates in β ladder)trans-127.9142.5178.6-68.4-81.6000110.9H316 K320 T343 V345H316-Y318 HydrophobicContact CB-CD2 3.93Å; H316-Y318 HydrophobicContact CB-CE2 3.26Å; Y318-K320 PolarHBondContact O-N 3.17Å; Y318-T343 PolarHBondContact N-O 3.47Å; Y318-T343 PolarHBondContact O-N 3.42Å; Y318-T343 VanDerWaalsContact O-O 3.07Å; Y318-T343 PolarHBondContact O-OG1 3.48Å; Y318-T343 VanDerWaalsContact O-OG1 3.06Å; Y318-V345 HydrophobicContact CD2-CB 3.78Å; Y318-V345 HydrophobicContact CD2-CG2 3.59Å; Y318-V345 HydrophobicContact CE2-CB 3.83Å; Y318-V345 HydrophobicContact CE2-CG1 4.4Å; Y318-V345 HydrophobicContact CE2-CG2 4.05Å
319T94.9Very high95.2Very high83 Ų8389.5 Ų89.551%0.50946%0.457SS..EExtended strand (participates in β ladder)trans-89.3104.1168.4-57.30000108.6V321 E341T319-V321 HydrophobicContact CG2-CG2 4.15Å; T319-V321 PolarHBondContact O-N 3.44Å; T319-E341 CarbonylContact C-O 3.57Å; T319-E341 WeakPolarHBondContact CA-O 3.41Å
320K94.1Very high94.9Very high123 Ų12399.4 Ų99.454%0.53549%0.49SS..EExtended strand (participates in β ladder)trans-74.7119.3173.9-175.5-177.7179.8-175.40108.5Y318 W322 S340 E341 T343Y318-K320 PolarHBondContact O-N 3.17Å; K320-W322 HydrophobicContact CB-CZ3 4.47Å; K320-W322 HydrophobicContact CD-CE3 4.44Å; K320-W322 HydrophobicContact CD-CZ3 4.5Å; K320-W322 HydrophobicContact CG-CE3 4.11Å; K320-W322 HydrophobicContact CG-CZ3 4.36Å; K320-W322 WeakPolarHBondContact O-CZ3 3.48Å; K320-S340 CarbonylContact O-C 3.55Å; K320-S340 VanDerWaalsContact O-CA 3.26Å; K320-S340 WeakPolarHBondContact O-CA 3.49Å; K320-E341 PolarHBondContact N-O 2.85Å; K320-E341 PolarHBondContact O-N 2.84Å; K320-T343 HydrophobicContact CB-CG2 3.95Å; K320-T343 HydrophobicContact CD-CG2 4.4Å
321V96Very high94.7Very high90 Ų90100.9 Ų100.955%0.54549%0.488SS..EExtended strand (participates in β ladder)trans-109.5130.6179.8-177.10000109.2T319 T338 C339T319-V321 HydrophobicContact CG2-CG2 4.15Å; T319-V321 PolarHBondContact O-N 3.44Å; V321-T338 HydrophobicContact CG1-CG2 3.33Å; V321-C339 WeakPolarHBondContact CA-O 3.2Å
322W96.7Very high94.3Very high103 Ų103102.2 Ų102.239%0.3951%0.508SS..EExtended strand (participates in β ladder)trans-145.7160.9174.871.1101000111.6K320 C339 E341K320-W322 HydrophobicContact CB-CZ3 4.47Å; K320-W322 HydrophobicContact CD-CE3 4.44Å; K320-W322 HydrophobicContact CD-CZ3 4.5Å; K320-W322 HydrophobicContact CG-CE3 4.11Å; K320-W322 HydrophobicContact CG-CZ3 4.36Å; K320-W322 WeakPolarHBondContact O-CZ3 3.48Å; W322-C339 HydrophobicContact CD2-CB 4.26Å; W322-C339 HydrophobicContact CH2-CB 4.49Å; W322-C339 HydrophobicContact CZ2-CB 4.03Å; W322-C339 PolarHBondContact N-O 2.84Å; W322-C339 PolarHBondContact O-N 3Å; W322-E341 HydrophobicContact CH2-CB 3.59Å; W322-E341 HydrophobicContact CZ3-CB 3.53Å
323Q96.6Very high94.3Very high148 Ų148106.7 Ų106.769%0.69252%0.519SS*.EExtended strand (participates in β ladder)trans-76.5126.1173.5-71.1-174.4-29.400110.2C336 N337Q323-C336 HydrophobicContact CB-CB 3.77Å; Q323-C336 HydrophobicContact CG-CB 4.14Å; Q323-N337 WeakPolarHBondContact CA-O 3.44Å
324C96.7Very high94.2Very high14 Ų14107.1 Ų107.110%0.09553%0.53CS..EExtended strand (participates in β ladder)trans-134.2170.2-176.967.20000110.9C326 N337 C339C324-C326 PolarHBondContact O-N 2.87Å; C324-N337 PolarHBondContact N-O 2.04Å; C324-N337 PolarHBondContact O-N 2.98Å; C324-N337 PolarHBondContact SG-O 2.05Å; C324-C339 HydrophobicContact CB-CB 3.6Å; C324-C339 WeakPolarHBondContact CB-SG 3.07Å; C324-C339 WeakPolarHBondContact SG-CB 3.3Å; C324-C339 PolarHBondContact SG-N 3.38Å; C324-C339 VanDerWaalsContact SG-N 3.42Å; C324-C339 CovalentContact SG-SG 2Å; C324-C339 PolarHBondContact SG-SG 2.93Å
325N96.3Very high94.2Very high115 Ų115110 Ų11062%0.61554%0.539SS*.EExtended strand (participates in β ladder)trans49.536.3178.4-61.2-44.6000112.9K327 N337N325-K327 PolarHBondContact O-N 3.38Å; N325-N337 HydrophobicContact CB-CB 4.39Å
326C96.5Very high94.3Very high65 Ų65108 Ų10844%0.43953%0.528SS..EExtended strand (participates in β ladder)trans-66.5124.4-176.2-64.50000110.7C324 V334 K335 C336C324-C326 PolarHBondContact O-N 2.87Å; C326-V334 HydrophobicContact CB-CG1 3.77Å; C326-K335 CarbonylContact C-O 3.56Å; C326-K335 WeakPolarHBondContact CA-O 3Å; C326-C336 HydrophobicContact CB-CB 4.09Å; C326-C336 WeakPolarHBondContact CB-SG 3.11Å; C326-C336 WeakPolarHBondContact SG-CB 3.28Å; C326-C336 CovalentContact SG-SG 2.04Å; C326-C336 PolarHBondContact SG-SG 3Å
327K95.5Very high94.4Very high147 Ų147109 Ų10964%0.63954%0.536SS*.EExtended strand (participates in β ladder)trans-114.8127.9172.2-67.7-175.3178.9-177.40109.2N325 V334 K335N325-K327 PolarHBondContact O-N 3.38Å; K327-V334 WeakPolarHBondContact O-CA 3.25Å; K327-K335 PolarHBondContact N-O 3.12Å; K327-K335 PolarHBondContact O-N 3.18Å
328F95.9Very high94.5Very high131 Ų131106.8 Ų106.858%0.57553%0.533SS*.EExtended strand (participates in β ladder)trans-78.7123.2168.6-176.9-105.9000109V334F328-V334 HydrophobicContact CD2-CG2 3.85Å
329H92.5Very high94.8Very high77 Ų77102.4 Ų102.436%0.35652%0.521SS..EExtended strand (participates in β ladder)trans-92.6116.9171.7-70-87.8000108.4C331 C332 F333H329-C331 CarbonylContact O-C 3.54Å; H329-C331 PolarHBondContact O-N 2.87Å; H329-C332 PolarHBondContact O-N 3.05Å; H329-F333 HydrophobicContact CB-CE1 4.29Å; H329-F333 HydrophobicContact CB-CE2 4.25Å; H329-F333 HydrophobicContact CB-CZ 4.09Å; H329-F333 AromaticContact CD2-CE2 3.66Å; H329-F333 PolarHBondContact N-O 2.77Å
330W88.8Confident94.9Very high245 Ų245102.5 Ų102.593%0.92853%0.525SS*.THydrogen-bonded Turntrans-61.6114.1179.3-156.677.3000108.8
331C87.8Confident95Very high102 Ų102101.7 Ų101.769%0.68952%0.523SS*.THydrogen-bonded Turntrans70.886.2-161.2-156.30000115.6H329H329-C331 CarbonylContact O-C 3.54Å; H329-C331 PolarHBondContact O-N 2.87Å
332C87.1Confident95Very high104 Ų104108 Ų10870%0.70354%0.537SS*.THydrogen-bonded Turncis-154.130.6-2.2-91.50000111.3H329H329-C332 PolarHBondContact O-N 3.05Å
333F94.4Very high94.8Very high120 Ų120104.9 Ų104.953%0.52653%0.529SS..EExtended strand (participates in β ladder)trans-130.5152-173.562.2-87.6000112.5H329 K335H329-F333 HydrophobicContact CB-CE1 4.29Å; H329-F333 HydrophobicContact CB-CE2 4.25Å; H329-F333 HydrophobicContact CB-CZ 4.09Å; H329-F333 AromaticContact CD2-CE2 3.66Å; H329-F333 PolarHBondContact N-O 2.77Å; F333-K335 HydrophobicContact CD2-CB 4.3Å; F333-K335 HydrophobicContact CE2-CB 4.11Å
334V95.6Very high94.6Very high87 Ų87102.4 Ų102.453%0.52752%0.518SS..EExtended strand (participates in β ladder)trans-91.5119.6169.5-177.10000107.6C326 K327 F328C326-V334 HydrophobicContact CB-CG1 3.77Å; K327-V334 WeakPolarHBondContact O-CA 3.25Å; F328-V334 HydrophobicContact CD2-CG2 3.85Å
335K96.2Very high94.5Very high129 Ų129103.8 Ų103.856%0.56153%0.526SS*.EExtended strand (participates in β ladder)trans-98.2116.6169.4-169.1174.4-178.6176.90108.6C326 K327 F333C326-K335 CarbonylContact C-O 3.56Å; C326-K335 WeakPolarHBondContact CA-O 3Å; K327-K335 PolarHBondContact N-O 3.12Å; K327-K335 PolarHBondContact O-N 3.18Å; F333-K335 HydrophobicContact CD2-CB 4.3Å; F333-K335 HydrophobicContact CE2-CB 4.11Å
336C97.6Very high94.5Very high29 Ų2999.5 Ų99.520%0.19650%0.501CS..EExtended strand (participates in β ladder)trans-110.5153.9173.1-55.70000110.1Q323 C326Q323-C336 HydrophobicContact CB-CB 3.77Å; Q323-C336 HydrophobicContact CG-CB 4.14Å; C326-C336 HydrophobicContact CB-CB 4.09Å; C326-C336 WeakPolarHBondContact CB-SG 3.11Å; C326-C336 WeakPolarHBondContact SG-CB 3.28Å; C326-C336 CovalentContact SG-SG 2.04Å; C326-C336 PolarHBondContact SG-SG 3Å
337N97.6Very high94.6Very high90 Ų9097.4 Ų97.448%0.48149%0.487SS..EExtended strand (participates in β ladder)trans-82.9155.5162.4-64.5-8.2000109Q323 C324 N325Q323-N337 WeakPolarHBondContact CA-O 3.44Å; C324-N337 PolarHBondContact N-O 2.04Å; C324-N337 PolarHBondContact O-N 2.98Å; C324-N337 PolarHBondContact SG-O 2.05Å; N325-N337 HydrophobicContact CB-CB 4.39Å
338T97.2Very high94.6Very high112 Ų11290.5 Ų90.569%0.68746%0.457SS*.EExtended strand (participates in β ladder)trans-89.6109168.6-57.40000108V321V321-T338 HydrophobicContact CG1-CG2 3.33Å
339C97.3Very high94.6Very high37 Ų3789.8 Ų89.825%0.2545%0.453CS..EExtended strand (participates in β ladder)trans-93.5150.5170.6-77.30000110V321 W322 C324V321-C339 WeakPolarHBondContact CA-O 3.2Å; W322-C339 HydrophobicContact CD2-CB 4.26Å; W322-C339 HydrophobicContact CH2-CB 4.49Å; W322-C339 HydrophobicContact CZ2-CB 4.03Å; W322-C339 PolarHBondContact N-O 2.84Å; W322-C339 PolarHBondContact O-N 3Å; C324-C339 HydrophobicContact CB-CB 3.6Å; C324-C339 WeakPolarHBondContact CB-SG 3.07Å; C324-C339 WeakPolarHBondContact SG-CB 3.3Å; C324-C339 PolarHBondContact SG-N 3.38Å; C324-C339 VanDerWaalsContact SG-N 3.42Å; C324-C339 CovalentContact SG-SG 2Å; C324-C339 PolarHBondContact SG-SG 2.93Å
340S96.3Very high94.7Very high84 Ų8490.4 Ų90.459%0.58746%0.458SS*.EExtended strand (participates in β ladder)trans-139.3138.8175.1630000110.8K320K320-S340 CarbonylContact O-C 3.55Å; K320-S340 VanDerWaalsContact O-CA 3.26Å; K320-S340 WeakPolarHBondContact O-CA 3.49Å
341E96.4Very high95Very high106 Ų10682.3 Ų82.350%0.49543%0.434SS..EExtended strand (participates in β ladder)trans-130138.3175.3-179.9178.7-138.700109.7T319 K320 W322 T343T319-E341 CarbonylContact C-O 3.57Å; T319-E341 WeakPolarHBondContact CA-O 3.41Å; K320-E341 PolarHBondContact N-O 2.85Å; K320-E341 PolarHBondContact O-N 2.84Å; W322-E341 HydrophobicContact CH2-CB 3.59Å; W322-E341 HydrophobicContact CZ3-CB 3.53Å; E341-T343 HydrophobicContact CB-CG2 4.47Å; E341-T343 HydrophobicContact CG-CG2 4.11Å; E341-T343 PolarHBondContact O-N 3.28Å
342R95.3Very high95.4Very high223 Ų22381.2 Ų81.284%0.84242%0.419SS*.EExtended strand (participates in β ladder)trans-75.9121.1170.9-68.1-175.6178.6-173.8-0.1108.4
343T93.3Very high95.9Very high37 Ų3779.8 Ų79.823%0.22740%0.403CS..EExtended strand (participates in β ladder)trans-125.9146.9-17856.20000110Y318 K320 E341Y318-T343 PolarHBondContact N-O 3.47Å; Y318-T343 PolarHBondContact O-N 3.42Å; Y318-T343 VanDerWaalsContact O-O 3.07Å; Y318-T343 PolarHBondContact O-OG1 3.48Å; Y318-T343 VanDerWaalsContact O-OG1 3.06Å; K320-T343 HydrophobicContact CB-CG2 3.95Å; K320-T343 HydrophobicContact CD-CG2 4.4Å; E341-T343 HydrophobicContact CB-CG2 4.47Å; E341-T343 HydrophobicContact CG-CG2 4.11Å; E341-T343 PolarHBondContact O-N 3.28Å
344E93.6Very high96Very high97 Ų9777.3 Ų77.345%0.45340%0.395SS..EExtended strand (participates in β ladder)trans-100.7136.5174.2-63.3-173.8149.300109.9T315 H316 F346T315-E344 HydrophobicContact CG2-CB 4.21Å; T315-E344 HydrophobicContact CG2-CG 4.26Å; H316-E344 CarbonylContact O-C 3.6Å; H316-E344 WeakPolarHBondContact O-CA 3.48Å; E344-F346 HydrophobicContact CB-CE1 4.36Å; E344-F346 HydrophobicContact CB-CE2 4.15Å; E344-F346 HydrophobicContact CB-CZ 3.75Å; E344-F346 WeakPolarHBondContact OE2-CZ 3.05Å
345V94.6Very high96Very high43 Ų4376.7 Ų76.726%0.26139%0.386SS..EExtended strand (participates in β ladder)trans-120.7128.5174.9176.20000108.1L293 H316 Y318L293-V345 HydrophobicContact CD2-CG1 3.24Å; H316-V345 PolarHBondContact N-O 3.05Å; H316-V345 PolarHBondContact O-N 3.4Å; Y318-V345 HydrophobicContact CD2-CB 3.78Å; Y318-V345 HydrophobicContact CD2-CG2 3.59Å; Y318-V345 HydrophobicContact CE2-CB 3.83Å; Y318-V345 HydrophobicContact CE2-CG1 4.4Å; Y318-V345 HydrophobicContact CE2-CG2 4.05Å
346F96.3Very high96Very high24 Ų2472.9 Ų72.911%0.10537%0.374CS..EExtended strand (participates in β ladder)trans-105.9129.8-179.1-49.3-82.7000110.3L293 C294 R296 Y313 N314 T315 E344L293-F346 WeakPolarHBondContact CA-O 3.33Å; C294-F346 PolarHBondContact N-O 3.14Å; R296-F346 HydrophobicContact CB-CD1 4.23Å; R296-F346 HydrophobicContact CB-CD2 3.83Å; R296-F346 HydrophobicContact CB-CE1 4.18Å; R296-F346 HydrophobicContact CB-CE2 3.8Å; R296-F346 HydrophobicContact CB-CG 4.07Å; R296-F346 HydrophobicContact CB-CZ 3.99Å; R296-F346 VanDerWaalsContact NE-CZ 3.29Å; Y313-F346 HydrophobicContact CD2-CB 4.19Å; Y313-F346 AromaticContact CD2-CD1 3.72Å; Y313-F346 HydrophobicContact CD2-CD1 3.72Å; Y313-F346 HydrophobicContact CD2-CG 4.32Å; Y313-F346 AromaticContact CE2-CD1 3.78Å; Y313-F346 HydrophobicContact CE2-CD1 3.78Å; Y313-F346 HydrophobicContact CE2-CE1 4.3Å; N314-F346 VanDerWaalsContact O-CA 3.3Å; N314-F346 WeakPolarHBondContact O-CA 3.15Å; T315-F346 HydrophobicContact CG2-CD1 4.06Å; T315-F346 HydrophobicContact CG2-CE1 3.62Å; T315-F346 HydrophobicContact CG2-CZ 4.44Å; T315-F346 WeakPolarHBondContact OG1-CD1 3.38Å; T315-F346 WeakPolarHBondContact OG1-CE1 3.35Å; E344-F346 HydrophobicContact CB-CE1 4.36Å; E344-F346 HydrophobicContact CB-CE2 4.15Å; E344-F346 HydrophobicContact CB-CZ 3.75Å; E344-F346 WeakPolarHBondContact OE2-CZ 3.05Å
347T96.6Very high95.9Very high21 Ų2176.3 Ų76.313%0.12939%0.387CS..EExtended strand (participates in β ladder)trans-123.3141.9178.256.50000110.1R292 L293 Y313 N314 H316R292-T347 CarbonylContact O-C 3.57Å; R292-T347 VanDerWaalsContact O-CA 3.31Å; R292-T347 WeakPolarHBondContact O-CA 3.41Å; L293-T347 HydrophobicContact CD2-CG2 4.07Å; Y313-T347 CarbonylContact C-O 3.35Å; Y313-T347 WeakPolarHBondContact CA-O 3.22Å; Y313-T347 VanDerWaalsContact CB-O 3.25Å; Y313-T347 WeakPolarHBondContact CB-O 3.46Å; N314-T347 PolarHBondContact N-O 2.9Å; N314-T347 PolarHBondContact O-N 3.36Å; H316-T347 PolarHBondContact CD2-OG1 3.05Å; H316-T347 PolarHBondContact NE2-OG1 3.24Å
348C96.4Very high95.8Very high2 Ų275.2 Ų75.21%0.01438%0.38CS..EExtended strand (participates in β ladder)trans-67.2136.7177-63.80000111.7T289 G291 R292 C308T289-C348 WeakPolarHBondContact O-CB 3.33Å; G291-C348 PolarHBondContact N-O 2.96Å; R292-C348 PolarHBondContact O-N 3.44Å; C308-C348 WeakPolarHBondContact CA-SG 3.43Å; C308-C348 HydrophobicContact CB-CB 3.53Å; C308-C348 WeakPolarHBondContact CB-SG 3.42Å; C308-C348 PolarHBondContact N-SG 3.24Å; C308-C348 VanDerWaalsContact N-SG 3.44Å; C308-C348 WeakPolarHBondContact SG-CA 3.17Å; C308-C348 WeakPolarHBondContact SG-CB 3.32Å; C308-C348 CovalentContact SG-SG 2.04Å; C308-C348 PolarHBondContact SG-SG 2.98Å
349K95.9Very high95.6Very high116 Ų11671.8 Ų71.850%0.50435%0.352SS..  trans-64.90174-70.8-178.8179.5-178.70112.3Q290 R311 G312 Y313 N314Q290-K349 PolarHBondContact NE2-OXT 3.03Å; R311-K349 HydrophobicContact CB-CB 4.42Å; R311-K349 PolarHBondContact NE-O 3.32Å; R311-K349 PolarHBondContact NH2-O 2.72Å; G312-K349 PolarHBondContact O-N 3.37Å; Y313-K349 VanDerWaalsContact O-CE 3.32Å; Y313-K349 WeakPolarHBondContact O-CE 3.41Å; N314-K349 WeakPolarHBondContact OD1-CE 3.11Å; N314-K349 WeakPolarHBondContact OD1-CG 3.25Å

Retrieved 349 of 349 residues in 132.2 ms (Link to these results)

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