A0A3Q0KDM8_SCHMA Loading...

Putative insulin-inducedprotein

AlphaFold DB , UniProt , Accession A0A3Q0KDM8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 206 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M63.5Low69.1Low193 Ų193114.1 Ų114.195%0.95160%0.596SS**  0-52.40-163.817381.200113.1L3 L4 L5M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.42Å; M1-L4 PolarHBondContact O-N 3.24Å; M1-L5 PolarHBondContact O-N 3.25Å
2V63.9Low70.9Confident112 Ų112109.4 Ų109.468%0.67958%0.576SS**Hα-helixtrans-56.1-44.9-179.4178.90000112.6L4 L5 Q6V2-L4 PolarHBondContact O-N 3.18Å; V2-L5 PolarHBondContact O-N 3.07Å; V2-Q6 WeakPolarHBondContact O-CB 3.48Å; V2-Q6 PolarHBondContact O-N 3.48Å
3L52.6Low72.5Confident138 Ų138107.5 Ų107.572%0.72357%0.565SS**Hα-helixtrans-63.6-41.7-178.7-142.1138.9000112.2M1 Q6 T7M1-L3 VanDerWaalsContact C-N 3.34Å; M1-L3 PolarHBondContact O-N 3.42Å; L3-Q6 PolarHBondContact O-N 3.15Å; L3-T7 HydrophobicContact CD2-CG2 4.33Å; L3-T7 WeakPolarHBondContact O-CG2 3.42Å; L3-T7 PolarHBondContact O-N 2.94Å; L3-T7 PolarHBondContact O-OG1 3.19Å
4L51.4Low74.1Confident124 Ų124104.4 Ų104.465%0.64955%0.553SS**Hα-helixtrans-64.1-39.9173.5-75.9167.5000112.3M1 V2 Q6 T7 T8M1-L4 PolarHBondContact O-N 3.24Å; V2-L4 PolarHBondContact O-N 3.18Å; L4-Q6 VanDerWaalsContact C-N 3.28Å; L4-Q6 PolarHBondContact O-N 3.43Å; L4-T7 WeakPolarHBondContact CA-OG1 3.27Å; L4-T7 PolarHBondContact O-OG1 3.13Å; L4-T8 VanDerWaalsContact O-CG2 3.31Å; L4-T8 WeakPolarHBondContact O-CG2 3.41Å; L4-T8 PolarHBondContact O-N 3.11Å; L4-T8 PolarHBondContact O-OG1 3.37Å; L4-T8 VanDerWaalsContact O-OG1 3.1Å
5L60.1Low75.5Confident75 Ų75107.3 Ų107.339%0.39356%0.555SS.*Hα-helixtrans-68.9-31.2177.4-153.9104.2000111.8M1 V2 T8 K9M1-L5 PolarHBondContact O-N 3.25Å; V2-L5 PolarHBondContact O-N 3.07Å; L5-T8 WeakPolarHBondContact CA-OG1 3.47Å; L5-T8 PolarHBondContact O-OG1 2.99Å; L5-T8 VanDerWaalsContact O-OG1 3.05Å; L5-K9 WeakPolarHBondContact O-CB 3.49Å; L5-K9 VanDerWaalsContact O-CG 3.23Å; L5-K9 WeakPolarHBondContact O-CG 3.29Å; L5-K9 PolarHBondContact O-N 3.37Å
6Q66.1Low76.8Confident133 Ų133101.9 Ų101.962%0.62153%0.525SS*.Hα-helixtrans-76.3-40.8177.1-169.6171.8-30.600111.3V2 L3 L4 K9 F10V2-Q6 WeakPolarHBondContact O-CB 3.48Å; V2-Q6 PolarHBondContact O-N 3.48Å; L3-Q6 PolarHBondContact O-N 3.15Å; L4-Q6 VanDerWaalsContact C-N 3.28Å; L4-Q6 PolarHBondContact O-N 3.43Å; Q6-K9 PolarHBondContact O-N 3.33Å; Q6-F10 WeakPolarHBondContact O-CB 3.25Å; Q6-F10 PolarHBondContact O-N 3.18Å
7T66.4Low78Confident65 Ų6596.6 Ų96.640%0.39950%0.501SS..Hα-helixtrans-64.9-42.1174.754.40000111.4L3 L4 F10 S11L3-T7 HydrophobicContact CD2-CG2 4.33Å; L3-T7 WeakPolarHBondContact O-CG2 3.42Å; L3-T7 PolarHBondContact O-N 2.94Å; L3-T7 PolarHBondContact O-OG1 3.19Å; L4-T7 WeakPolarHBondContact CA-OG1 3.27Å; L4-T7 PolarHBondContact O-OG1 3.13Å; T7-F10 PolarHBondContact O-N 3Å; T7-S11 PolarHBondContact O-N 3.24Å; T7-S11 PolarHBondContact O-OG 3.05Å; T7-S11 VanDerWaalsContact O-OG 3.07Å
8T77.7Confident79.1Confident76 Ų7696.1 Ų96.147%0.46650%0.498SS..Hα-helixtrans-63.5-44.2176.354.10000112.2L4 L5 F10 S11 V12L4-T8 VanDerWaalsContact O-CG2 3.31Å; L4-T8 WeakPolarHBondContact O-CG2 3.41Å; L4-T8 PolarHBondContact O-N 3.11Å; L4-T8 PolarHBondContact O-OG1 3.37Å; L4-T8 VanDerWaalsContact O-OG1 3.1Å; L5-T8 WeakPolarHBondContact CA-OG1 3.47Å; L5-T8 PolarHBondContact O-OG1 2.99Å; L5-T8 VanDerWaalsContact O-OG1 3.05Å; T8-F10 VanDerWaalsContact C-N 3.32Å; T8-F10 PolarHBondContact O-N 3.06Å; T8-S11 PolarHBondContact O-N 2.91Å; T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.27Å; T8-V12 PolarHBondContact O-N 2.79Å
9K83.6Confident80Confident126 Ų12694.4 Ų94.455%0.54849%0.49SS..Hα-helixtrans-59.9-42.5174.7-77.5177.2178.6-175.20112.3L5 Q6 V12 L13L5-K9 WeakPolarHBondContact O-CB 3.49Å; L5-K9 VanDerWaalsContact O-CG 3.23Å; L5-K9 WeakPolarHBondContact O-CG 3.29Å; L5-K9 PolarHBondContact O-N 3.37Å; Q6-K9 PolarHBondContact O-N 3.33Å; K9-V12 PolarHBondContact O-N 2.9Å; K9-L13 WeakPolarHBondContact O-CB 3.45Å; K9-L13 PolarHBondContact O-N 3.13Å
10F86.1Confident80.9Confident138 Ų13889.7 Ų89.761%0.60547%0.465SS*.Hα-helixtrans-63.3-47.8177.1-178.6-100.5000111.2Q6 T7 T8 V12 L13 V14Q6-F10 WeakPolarHBondContact O-CB 3.25Å; Q6-F10 PolarHBondContact O-N 3.18Å; T7-F10 PolarHBondContact O-N 3Å; T8-F10 VanDerWaalsContact C-N 3.32Å; T8-F10 PolarHBondContact O-N 3.06Å; F10-V12 VanDerWaalsContact C-N 3.32Å; F10-V12 PolarHBondContact O-N 3.37Å; F10-L13 PolarHBondContact O-N 3.2Å; F10-L13 VanDerWaalsContact O-N 3.16Å; F10-V14 HydrophobicContact CD1-CG2 4.08Å; F10-V14 HydrophobicContact CE1-CG2 3.66Å; F10-V14 HydrophobicContact CE2-CG2 4.13Å; F10-V14 HydrophobicContact CG-CG2 4.49Å; F10-V14 HydrophobicContact CZ-CG2 3.68Å; F10-V14 WeakPolarHBondContact O-CG2 3.21Å; F10-V14 PolarHBondContact O-N 3.03Å
11S88.2Confident81.8Confident75 Ų7587.5 Ų87.552%0.52445%0.452SS..Hα-helixtrans-58.9-41.8176.7-62.50000112.5T7 T8 V14 Y15T7-S11 PolarHBondContact O-N 3.24Å; T7-S11 PolarHBondContact O-OG 3.05Å; T7-S11 VanDerWaalsContact O-OG 3.07Å; T8-S11 PolarHBondContact O-N 2.91Å; S11-V14 PolarHBondContact O-N 3.25Å; S11-Y15 WeakPolarHBondContact O-CB 3.42Å; S11-Y15 PolarHBondContact O-N 3.44Å
12V90.8Very high83.4Confident58 Ų5884.1 Ų84.135%0.35243%0.432SS..Hα-helixtrans-63.8-43.9175.8171.30000111T8 K9 F10 Y15 R16T8-V12 VanDerWaalsContact O-CG2 3.29Å; T8-V12 WeakPolarHBondContact O-CG2 3.27Å; T8-V12 PolarHBondContact O-N 2.79Å; K9-V12 PolarHBondContact O-N 2.9Å; F10-V12 VanDerWaalsContact C-N 3.32Å; F10-V12 PolarHBondContact O-N 3.37Å; V12-Y15 PolarHBondContact O-N 3.38Å; V12-R16 HydrophobicContact CG1-CG 4.41Å; V12-R16 WeakPolarHBondContact O-CB 3.4Å; V12-R16 VanDerWaalsContact O-CG 3.26Å; V12-R16 WeakPolarHBondContact O-CG 3.36Å; V12-R16 PolarHBondContact O-N 3.35Å
13L92.4Very high85Confident84 Ų8481 Ų8144%0.4441%0.412SS..Hα-helixtrans-64.1-43178.5-171.567.8000111.9K9 F10 R16 G17 L71K9-L13 WeakPolarHBondContact O-CB 3.45Å; K9-L13 PolarHBondContact O-N 3.13Å; F10-L13 PolarHBondContact O-N 3.2Å; F10-L13 VanDerWaalsContact O-N 3.16Å; L13-R16 PolarHBondContact O-N 3.29Å; L13-G17 PolarHBondContact O-N 3.37Å; L13-L71 HydrophobicContact CD1-CD1 4.2Å; L13-L71 HydrophobicContact CD1-CD2 3.84Å
14V94.4Very high87.1Confident64 Ų6474.7 Ų74.739%0.38838%0.38SS..Hα-helixtrans-61.1-46.2175.4171.20000110.5F10 S11 R16 G17 L18F10-V14 HydrophobicContact CD1-CG2 4.08Å; F10-V14 HydrophobicContact CE1-CG2 3.66Å; F10-V14 HydrophobicContact CE2-CG2 4.13Å; F10-V14 HydrophobicContact CG-CG2 4.49Å; F10-V14 HydrophobicContact CZ-CG2 3.68Å; F10-V14 WeakPolarHBondContact O-CG2 3.21Å; F10-V14 PolarHBondContact O-N 3.03Å; S11-V14 PolarHBondContact O-N 3.25Å; V14-R16 PolarHBondContact O-N 3.47Å; V14-G17 PolarHBondContact O-N 2.93Å; V14-L18 HydrophobicContact CG1-CD1 4.11Å; V14-L18 HydrophobicContact CG1-CG 4.45Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 2.8Å
15Y95Very high89.2Confident149 Ų14970.1 Ų70.158%0.58436%0.356SS*.Hα-helixtrans-60.4-45177.4179.4-104.1000112.2S11 V12 G17 L18 L19S11-Y15 WeakPolarHBondContact O-CB 3.42Å; S11-Y15 PolarHBondContact O-N 3.44Å; V12-Y15 PolarHBondContact O-N 3.38Å; Y15-G17 VanDerWaalsContact C-N 3.33Å; Y15-G17 PolarHBondContact O-N 3.15Å; Y15-L18 PolarHBondContact O-N 3.39Å; Y15-L19 HydrophobicContact CD1-CD1 3.93Å; Y15-L19 HydrophobicContact CD1-CG 4.42Å; Y15-L19 HydrophobicContact CE1-CD1 3.3Å; Y15-L19 HydrophobicContact CE1-CG 4Å; Y15-L19 HydrophobicContact CE2-CD1 4.44Å; Y15-L19 HydrophobicContact CE2-CG 4.33Å; Y15-L19 WeakPolarHBondContact O-CG 3.26Å; Y15-L19 PolarHBondContact O-N 3.26Å
16R96Very high90.9Very high21 Ų2170 Ų708%0.07936%0.361CS..Hα-helixtrans-61-42.8175.3-71.5175.353.9-163-12.7111.9V12 L13 V14 L19 L20 L71 L192 D196V12-R16 HydrophobicContact CG1-CG 4.41Å; V12-R16 WeakPolarHBondContact O-CB 3.4Å; V12-R16 VanDerWaalsContact O-CG 3.26Å; V12-R16 WeakPolarHBondContact O-CG 3.36Å; V12-R16 PolarHBondContact O-N 3.35Å; L13-R16 PolarHBondContact O-N 3.29Å; V14-R16 PolarHBondContact O-N 3.47Å; R16-L19 PolarHBondContact O-N 3.44Å; R16-L20 WeakPolarHBondContact O-CB 3.37Å; R16-L20 WeakPolarHBondContact O-CG 3.39Å; R16-L20 PolarHBondContact O-N 2.97Å; R16-L71 HydrophobicContact CB-CD2 4.09Å; R16-L192 WeakPolarHBondContact CD-O 3.25Å; R16-L192 HydrophobicContact CG-CB 4.11Å; R16-D196 IonicContact NH1-OD2 3.59Å; R16-D196 PolarHBondContact NH1-OD2 3.11Å
17G97.5Very high92.2Very high11 Ų1164.9 Ų64.911%0.11334%0.336CS..Hα-helixtrans-59.7-47174.400000111.9L13 V14 Y15 L19 L20 F21 V67L13-G17 PolarHBondContact O-N 3.37Å; V14-G17 PolarHBondContact O-N 2.93Å; Y15-G17 VanDerWaalsContact C-N 3.33Å; Y15-G17 PolarHBondContact O-N 3.15Å; G17-L19 PolarHBondContact O-N 2.92Å; G17-L20 PolarHBondContact O-N 3.42Å; G17-F21 VanDerWaalsContact O-CB 3.32Å; G17-F21 WeakPolarHBondContact O-CB 3.5Å; G17-F21 PolarHBondContact O-N 3.05Å; G17-V67 WeakPolarHBondContact O-CG2 3.31Å
18L97.7Very high93.5Very high87 Ų8762.7 Ų62.746%0.45532%0.324SS..Hα-helixtrans-61.5-45.9177.6-70.7172.5000112V14 Y15 L20 F21 F22V14-L18 HydrophobicContact CG1-CD1 4.11Å; V14-L18 HydrophobicContact CG1-CG 4.45Å; V14-L18 WeakPolarHBondContact O-CG 3.35Å; V14-L18 PolarHBondContact O-N 2.8Å; Y15-L18 PolarHBondContact O-N 3.39Å; L18-L20 PolarHBondContact O-N 3.14Å; L18-F21 WeakPolarHBondContact O-CB 3.27Å; L18-F21 PolarHBondContact O-N 2.95Å; L18-F22 HydrophobicContact CB-CE2 4.44Å; L18-F22 HydrophobicContact CD2-CE2 4.37Å; L18-F22 WeakPolarHBondContact O-CD2 3.44Å; L18-F22 PolarHBondContact O-N 3.21Å
19L97.5Very high94.1Very high64 Ų6466.4 Ų66.434%0.33533%0.329SS..Hα-helixtrans-59.1-46.1176.7-74-178.7000112.2Y15 R16 G17 F21 L23 L192Y15-L19 HydrophobicContact CD1-CD1 3.93Å; Y15-L19 HydrophobicContact CD1-CG 4.42Å; Y15-L19 HydrophobicContact CE1-CD1 3.3Å; Y15-L19 HydrophobicContact CE1-CG 4Å; Y15-L19 HydrophobicContact CE2-CD1 4.44Å; Y15-L19 HydrophobicContact CE2-CG 4.33Å; Y15-L19 WeakPolarHBondContact O-CG 3.26Å; Y15-L19 PolarHBondContact O-N 3.26Å; R16-L19 PolarHBondContact O-N 3.44Å; G17-L19 PolarHBondContact O-N 2.92Å; L19-F21 VanDerWaalsContact C-N 3.34Å; L19-L23 WeakPolarHBondContact O-CB 3.37Å; L19-L23 PolarHBondContact O-N 3.23Å; L19-L192 HydrophobicContact CB-CD1 4.28Å; L19-L192 HydrophobicContact CD1-CD2 3.72Å
20L98Very high94.5Very high0 Ų062.1 Ų62.10%032%0.317CS..Hα-helixtrans-64.1-39.8177.5-74.3167.1000111.8R16 G17 L18 L23 G24 S66 V67 L71 I185 V188 L192R16-L20 WeakPolarHBondContact O-CB 3.37Å; R16-L20 WeakPolarHBondContact O-CG 3.39Å; R16-L20 PolarHBondContact O-N 2.97Å; G17-L20 PolarHBondContact O-N 3.42Å; L18-L20 PolarHBondContact O-N 3.14Å; L20-L23 PolarHBondContact O-N 3.08Å; L20-G24 PolarHBondContact O-N 3.41Å; L20-S66 VanDerWaalsContact O-CB 3.23Å; L20-S66 WeakPolarHBondContact O-CB 3.45Å; L20-S66 PolarHBondContact O-OG 3.28Å; L20-V67 HydrophobicContact CB-CG2 4.07Å; L20-L71 HydrophobicContact CD1-CD2 3.9Å; L20-L71 HydrophobicContact CD1-CG 3.99Å; L20-I185 HydrophobicContact CD2-CG2 4.4Å; L20-V188 HydrophobicContact CD2-CB 4.47Å; L20-V188 HydrophobicContact CD2-CG1 3.95Å; L20-L192 HydrophobicContact CD1-CD1 4.42Å; L20-L192 HydrophobicContact CD2-CD1 4.05Å; L20-L192 HydrophobicContact CG-CD1 3.84Å
21F98.2Very high94.5Very high44 Ų4456.6 Ų56.619%0.19330%0.296CS..Hα-helixtrans-61.2-53.2178.1-177.5-99.3000111.5G17 L18 L19 L23 G24 I25 F60 G63 V64 V67G17-F21 VanDerWaalsContact O-CB 3.32Å; G17-F21 WeakPolarHBondContact O-CB 3.5Å; G17-F21 PolarHBondContact O-N 3.05Å; L18-F21 WeakPolarHBondContact O-CB 3.27Å; L18-F21 PolarHBondContact O-N 2.95Å; L19-F21 VanDerWaalsContact C-N 3.34Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 2.64Å; F21-G24 PolarHBondContact O-N 3.49Å; F21-I25 HydrophobicContact CD1-CD1 3.85Å; F21-I25 HydrophobicContact CE1-CD1 3.35Å; F21-I25 HydrophobicContact CE1-CG1 4.49Å; F21-I25 HydrophobicContact CZ-CD1 3.76Å; F21-I25 PolarHBondContact O-N 3.26Å; F21-I25 VanDerWaalsContact O-N 3.11Å; F21-F60 HydrophobicContact CE2-CD2 4.07Å; F21-F60 HydrophobicContact CE2-CE2 4.01Å; F21-F60 AromaticContact CZ-CD2 3.69Å; F21-F60 HydrophobicContact CZ-CD2 3.69Å; F21-F60 AromaticContact CZ-CE2 3.78Å; F21-F60 HydrophobicContact CZ-CE2 3.78Å; F21-G63 VanDerWaalsContact CD2-C 3.42Å; F21-G63 WeakPolarHBondContact O-CA 3.19Å; F21-V64 HydrophobicContact CE2-CG2 4.11Å; F21-V67 HydrophobicContact CB-CG2 3.62Å; F21-V67 HydrophobicContact CD2-CG2 4.33Å; F21-V67 HydrophobicContact CG-CG2 4.49Å
22F97.9Very high94.4Very high122 Ų12256.4 Ų56.454%0.53529%0.286SS..Hα-helixtrans-64.8-38.9178.3-72.4-64.2000111.9L18 G24 I25 C26L18-F22 HydrophobicContact CB-CE2 4.44Å; L18-F22 HydrophobicContact CD2-CE2 4.37Å; L18-F22 WeakPolarHBondContact O-CD2 3.44Å; L18-F22 PolarHBondContact O-N 3.21Å; F22-G24 VanDerWaalsContact C-N 3.31Å; F22-G24 PolarHBondContact O-N 3.5Å; F22-I25 PolarHBondContact O-N 2.93Å; F22-C26 PolarHBondContact O-N 3.34Å; F22-C26 PolarHBondContact O-SG 2.88Å
23L97Very high94.1Very high47 Ų4756.5 Ų56.525%0.24629%0.293CS..Hα-helixtrans-60.9-41.5175.1-174.268.1000111.8L19 L20 F21 I25 C26 F27 I185 V188L19-L23 WeakPolarHBondContact O-CB 3.37Å; L19-L23 PolarHBondContact O-N 3.23Å; L20-L23 PolarHBondContact O-N 3.08Å; F21-L23 VanDerWaalsContact C-N 3.34Å; F21-L23 PolarHBondContact O-N 2.64Å; L23-I25 VanDerWaalsContact C-N 3.35Å; L23-I25 PolarHBondContact O-N 3.49Å; L23-C26 PolarHBondContact O-N 2.69Å; L23-F27 HydrophobicContact CD1-CD1 3.8Å; L23-F27 HydrophobicContact CD1-CE1 3.54Å; L23-F27 HydrophobicContact CD1-CZ 4.47Å; L23-F27 HydrophobicContact CG-CD1 4.03Å; L23-F27 HydrophobicContact CG-CE1 4.01Å; L23-F27 WeakPolarHBondContact O-CB 3.47Å; L23-F27 WeakPolarHBondContact O-CD1 2.99Å; L23-F27 PolarHBondContact O-N 3.16Å; L23-I185 HydrophobicContact CD2-CD1 4.02Å; L23-I185 HydrophobicContact CG-CD1 4.37Å; L23-V188 HydrophobicContact CD2-CB 4.13Å; L23-V188 HydrophobicContact CD2-CG1 3.69Å; L23-V188 HydrophobicContact CD2-CG2 3.77Å
24G97Very high93.8Very high5 Ų554 Ų545%0.05228%0.28CS..Hα-helixtrans-61.6-41.5176.600000112.5L20 F21 F22 F27 C28L20-G24 PolarHBondContact O-N 3.41Å; F21-G24 PolarHBondContact O-N 3.49Å; F22-G24 VanDerWaalsContact C-N 3.31Å; F22-G24 PolarHBondContact O-N 3.5Å; G24-F27 PolarHBondContact O-N 2.94Å; G24-C28 WeakPolarHBondContact O-CB 3.11Å; G24-C28 PolarHBondContact O-N 3.38Å
25I96.4Very high93Very high28 Ų2851.7 Ų51.714%0.14427%0.265CS..Hα-helixtrans-63.1-49.3173.7-66.9169.4000110.6F21 F22 L23 F27 C28 W29 S59F21-I25 HydrophobicContact CD1-CD1 3.85Å; F21-I25 HydrophobicContact CE1-CD1 3.35Å; F21-I25 HydrophobicContact CE1-CG1 4.49Å; F21-I25 HydrophobicContact CZ-CD1 3.76Å; F21-I25 PolarHBondContact O-N 3.26Å; F21-I25 VanDerWaalsContact O-N 3.11Å; F22-I25 PolarHBondContact O-N 2.93Å; L23-I25 VanDerWaalsContact C-N 3.35Å; L23-I25 PolarHBondContact O-N 3.49Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 3.24Å; I25-C28 WeakPolarHBondContact O-CB 3.31Å; I25-C28 PolarHBondContact O-N 3.36Å; I25-C28 VanDerWaalsContact O-N 3.16Å; I25-W29 HydrophobicContact CG2-CD2 4.14Å; I25-W29 HydrophobicContact CG2-CZ2 4.03Å; I25-W29 PolarHBondContact O-N 3.05Å; I25-S59 WeakPolarHBondContact CG1-O 3.48Å
26C94.8Very high92Very high73 Ų7350 Ų5049%0.49327%0.267SS..Hα-helixtrans-59.2-40.9179.1-68.70000112.1F22 L23 W29 A30F22-C26 PolarHBondContact O-N 3.34Å; F22-C26 PolarHBondContact O-SG 2.88Å; L23-C26 PolarHBondContact O-N 2.69Å; C26-W29 PolarHBondContact O-N 3.49Å; C26-A30 VanDerWaalsContact O-CB 3.3Å; C26-A30 WeakPolarHBondContact O-CB 3.47Å; C26-A30 PolarHBondContact O-N 2.88Å
27F93.8Very high90.5Very high26 Ų2653.6 Ų53.611%0.11429%0.286CS..Hα-helixtrans-64.5-43.4176.2-91.142.9000111.6L23 G24 I25 W29 A30 S31 F100 F101 V184 I185L23-F27 HydrophobicContact CD1-CD1 3.8Å; L23-F27 HydrophobicContact CD1-CE1 3.54Å; L23-F27 HydrophobicContact CD1-CZ 4.47Å; L23-F27 HydrophobicContact CG-CD1 4.03Å; L23-F27 HydrophobicContact CG-CE1 4.01Å; L23-F27 WeakPolarHBondContact O-CB 3.47Å; L23-F27 WeakPolarHBondContact O-CD1 2.99Å; L23-F27 PolarHBondContact O-N 3.16Å; G24-F27 PolarHBondContact O-N 2.94Å; I25-F27 VanDerWaalsContact C-N 3.29Å; I25-F27 PolarHBondContact O-N 3.24Å; F27-W29 PolarHBondContact O-N 2.95Å; F27-A30 PolarHBondContact O-N 3.47Å; F27-S31 WeakPolarHBondContact O-CB 3.32Å; F27-S31 PolarHBondContact O-N 3.24Å; F27-S31 PolarHBondContact O-OG 3.22Å; F27-F100 HydrophobicContact CD2-CD1 4.41Å; F27-F100 HydrophobicContact CD2-CE1 4.11Å; F27-F100 HydrophobicContact CE2-CD1 4.18Å; F27-F100 HydrophobicContact CE2-CE1 4.34Å; F27-F101 HydrophobicContact CB-CZ 4.43Å; F27-F101 HydrophobicContact CD1-CE2 4.15Å; F27-F101 AromaticContact CD1-CZ 3.65Å; F27-F101 HydrophobicContact CD1-CZ 3.65Å; F27-F101 AromaticContact CD2-CZ 3.98Å; F27-F101 HydrophobicContact CD2-CZ 3.98Å; F27-F101 AromaticContact CE1-CE2 3.73Å; F27-F101 HydrophobicContact CE1-CE2 3.73Å; F27-F101 AromaticContact CE1-CZ 3.72Å; F27-F101 HydrophobicContact CE1-CZ 3.72Å; F27-F101 HydrophobicContact CE2-CE2 4.22Å; F27-F101 HydrophobicContact CE2-CZ 4.06Å; F27-F101 AromaticContact CG-CZ 3.77Å; F27-F101 HydrophobicContact CG-CZ 3.77Å; F27-F101 AromaticContact CZ-CE2 3.77Å; F27-F101 HydrophobicContact CZ-CE2 3.77Å; F27-F101 AromaticContact CZ-CZ 3.93Å; F27-F101 HydrophobicContact CZ-CZ 3.93Å; F27-V184 HydrophobicContact CE2-CB 4.11Å; F27-V184 HydrophobicContact CE2-CG1 3.51Å; F27-V184 HydrophobicContact CZ-CG1 3.68Å; F27-I185 HydrophobicContact CD2-CD1 4.46Å
28C92.6Very high88.8Confident19 Ų1957 Ų5713%0.12830%0.295CS..Hα-helixtrans-58-48.8175.5-172.30000111.3G24 I25 S31 E32 C62G24-C28 WeakPolarHBondContact O-CB 3.11Å; G24-C28 PolarHBondContact O-N 3.38Å; I25-C28 WeakPolarHBondContact O-CB 3.31Å; I25-C28 PolarHBondContact O-N 3.36Å; I25-C28 VanDerWaalsContact O-N 3.16Å; C28-S31 PolarHBondContact O-N 3.29Å; C28-E32 WeakPolarHBondContact O-CB 3.49Å; C28-E32 PolarHBondContact O-N 3.45Å; C28-C62 HydrophobicContact CB-CB 3.84Å
29W91.8Very high87.1Confident154 Ų15454.1 Ų54.158%0.58329%0.287SS*.Hα-helixtrans-66.2-41.2179.9-70.41.7000112.8I25 C26 F27 E32 A33 S59I25-W29 HydrophobicContact CG2-CD2 4.14Å; I25-W29 HydrophobicContact CG2-CZ2 4.03Å; I25-W29 PolarHBondContact O-N 3.05Å; C26-W29 PolarHBondContact O-N 3.49Å; F27-W29 PolarHBondContact O-N 2.95Å; W29-E32 PolarHBondContact O-N 2.82Å; W29-A33 VanDerWaalsContact O-CB 3.28Å; W29-A33 WeakPolarHBondContact O-CB 3.49Å; W29-A33 PolarHBondContact O-N 3.25Å; W29-S59 PolarHBondContact NE1-OG 2.85Å
30A91Very high85.3Confident36 Ų3651.3 Ų51.330%0.29827%0.273SS..Hα-helixtrans-62.7-45.917600000111C26 F27 A33 L34 F101C26-A30 VanDerWaalsContact O-CB 3.3Å; C26-A30 WeakPolarHBondContact O-CB 3.47Å; C26-A30 PolarHBondContact O-N 2.88Å; F27-A30 PolarHBondContact O-N 3.47Å; A30-A33 PolarHBondContact O-N 2.84Å; A30-L34 WeakPolarHBondContact O-CB 3.44Å; A30-L34 WeakPolarHBondContact O-CG 3.26Å; A30-L34 PolarHBondContact O-N 2.94Å; A30-F101 HydrophobicContact CB-CD1 4.12Å; A30-F101 HydrophobicContact CB-CE1 3.43Å; A30-F101 VanDerWaalsContact CB-CE1 3.43Å; A30-F101 HydrophobicContact CB-CZ 3.86Å
31S86.8Confident83.4Confident22 Ų2253.3 Ų53.315%0.15428%0.281CS..Hα-helixtrans-64.6-39.7175.9-67.60000112.5F27 C28 L34 H35F27-S31 WeakPolarHBondContact O-CB 3.32Å; F27-S31 PolarHBondContact O-N 3.24Å; F27-S31 PolarHBondContact O-OG 3.22Å; C28-S31 PolarHBondContact O-N 3.29Å; S31-L34 PolarHBondContact O-N 3.22Å; S31-H35 PolarHBondContact O-N 2.88Å; S31-H35 VanDerWaalsContact O-N 3.08Å; S31-H35 PolarHBondContact O-ND1 2.75Å
32E85.1Confident81.5Confident70 Ų7054.8 Ų54.833%0.32729%0.294SS..Hα-helixtrans-63.1-47.7174.7-174.7179.8176.800111.1C28 W29 L34 H35 N36 K55C28-E32 WeakPolarHBondContact O-CB 3.49Å; C28-E32 PolarHBondContact O-N 3.45Å; W29-E32 PolarHBondContact O-N 2.82Å; E32-L34 VanDerWaalsContact C-N 3.27Å; E32-L34 PolarHBondContact O-N 2.91Å; E32-H35 PolarHBondContact O-N 3.27Å; E32-N36 VanDerWaalsContact O-CB 3.29Å; E32-N36 WeakPolarHBondContact O-CB 3.2Å; E32-N36 PolarHBondContact O-N 3.24Å; E32-K55 WeakPolarHBondContact OE1-CD 3.28Å; E32-K55 WeakPolarHBondContact OE1-CE 3.5Å; E32-K55 IonicContact OE1-NZ 3.71Å
33A85.3Confident79.6Confident60 Ų6051.2 Ų51.250%0.49629%0.287SS..Hα-helixtrans-59.1-39.1178.300000112.1W29 A30 I37W29-A33 VanDerWaalsContact O-CB 3.28Å; W29-A33 WeakPolarHBondContact O-CB 3.49Å; W29-A33 PolarHBondContact O-N 3.25Å; A30-A33 PolarHBondContact O-N 2.84Å; A33-I37 WeakPolarHBondContact O-CG1 3.35Å
34L85.5Confident77.6Confident32 Ų3250.6 Ų50.617%0.16829%0.287CS..Hα-helixtrans-65.9-45.9176.5-71.4173.3000112.3A30 S31 E32 F101 H105A30-L34 WeakPolarHBondContact O-CB 3.44Å; A30-L34 WeakPolarHBondContact O-CG 3.26Å; A30-L34 PolarHBondContact O-N 2.94Å; S31-L34 PolarHBondContact O-N 3.22Å; E32-L34 VanDerWaalsContact C-N 3.27Å; E32-L34 PolarHBondContact O-N 2.91Å; L34-F101 HydrophobicContact CD1-CB 4.29Å; L34-F101 HydrophobicContact CD1-CD1 3.87Å; L34-H105 HydrophobicContact CD1-CB 4.49Å; L34-H105 HydrophobicContact CD2-CB 3.83Å
35H78.2Confident75.7Confident15 Ų1561.1 Ų61.17%0.06933%0.331CS..Hα-helixtrans-77.2-27.4-177.8-63.7119.9000113.4S31 E32 I37 R38 E40 F41 W173S31-H35 PolarHBondContact O-N 2.88Å; S31-H35 VanDerWaalsContact O-N 3.08Å; S31-H35 PolarHBondContact O-ND1 2.75Å; E32-H35 PolarHBondContact O-N 3.27Å; H35-I37 PolarHBondContact O-N 2.93Å; H35-R38 PolarHBondContact O-N 3.03Å; H35-E40 IonicContact CD2-OE2 3.47Å; H35-F41 HydrophobicContact CB-CD2 4.11Å; H35-F41 HydrophobicContact CB-CE2 4.24Å; H35-W173 AromaticContact NE2-CH2 3.76Å
36N74.5Confident74Confident115 Ų11563 Ų6362%0.61534%0.341SS*.Hα-helixtrans-65.6-23.1178.2-162.136.8000112.3E32 R38 G39E32-N36 VanDerWaalsContact O-CB 3.29Å; E32-N36 WeakPolarHBondContact O-CB 3.2Å; E32-N36 PolarHBondContact O-N 3.24Å; N36-R38 VanDerWaalsContact C-N 3.28Å; N36-R38 PolarHBondContact O-N 3.41Å; N36-G39 PolarHBondContact O-N 3.34Å
37I64.5Low72.5Confident95 Ų9562.5 Ų62.549%0.48734%0.338SS..THydrogen-bonded Turntrans-60.9-34.3177.9-67.2166.2000112.4A33 H35A33-I37 WeakPolarHBondContact O-CG1 3.35Å; H35-I37 PolarHBondContact O-N 2.93Å
38R61.9Low71.3Confident82 Ų8268.2 Ų68.231%0.30936%0.363SS..THydrogen-bonded Turntrans-95.3-11.5-180-173.1163.9-177-172.232.5113.6H35 N36 E40 T107 A108 I110 D111H35-R38 PolarHBondContact O-N 3.03Å; N36-R38 VanDerWaalsContact C-N 3.28Å; N36-R38 PolarHBondContact O-N 3.41Å; R38-E40 HydrophobicContact CB-CG 3.98Å; R38-E40 WeakPolarHBondContact CD-OE1 3.38Å; R38-E40 HydrophobicContact CG-CG 3.77Å; R38-E40 IonicContact CZ-OE1 3.74Å; R38-E40 IonicContact NE-OE1 3.97Å; R38-E40 IonicContact NH1-OE1 3.46Å; R38-E40 PolarHBondContact NH1-OE1 2.92Å; R38-E40 PolarHBondContact O-N 2.98Å; R38-T107 PolarHBondContact NH1-O 2.78Å; R38-A108 VanDerWaalsContact CB-O 3.32Å; R38-A108 WeakPolarHBondContact CB-O 3.46Å; R38-A108 WeakPolarHBondContact CD-O 3.49Å; R38-I110 PolarHBondContact NH2-O 2.95Å; R38-D111 IonicContact CZ-OD1 3.97Å; R38-D111 IonicContact NH2-OD1 3.63Å; R38-D111 PolarHBondContact NH2-OD1 3.43Å
39G60.6Low70.1Confident28 Ų2876.2 Ų76.229%0.28939%0.392SS..THydrogen-bonded Turntrans63.126.6-172.500000113.1N36 F41N36-G39 PolarHBondContact O-N 3.34Å; G39-F41 PolarHBondContact O-N 3.34Å
40E59.3Low69.3Low5 Ų572 Ų722%0.02338%0.383CS..  trans-59.3-31179.1-75.7-174.516300112.4H35 R38 M170 W173H35-E40 IonicContact CD2-OE2 3.47Å; R38-E40 HydrophobicContact CB-CG 3.98Å; R38-E40 WeakPolarHBondContact CD-OE1 3.38Å; R38-E40 HydrophobicContact CG-CG 3.77Å; R38-E40 IonicContact CZ-OE1 3.74Å; R38-E40 IonicContact NE-OE1 3.97Å; R38-E40 IonicContact NH1-OE1 3.46Å; R38-E40 PolarHBondContact NH1-OE1 2.92Å; R38-E40 PolarHBondContact O-N 2.98Å; E40-M170 HydrophobicContact CG-CE 4.02Å; E40-M170 WeakPolarHBondContact OE1-CE 3.5Å; E40-W173 WeakPolarHBondContact OE2-CZ2 3.3Å
41F59.5Low68.4Low42 Ų4273.3 Ų73.318%0.18438%0.383CS..EExtended strand (participates in β ladder)trans-109.7102.3174-61.3-69000109H35 G39 A43 F154 Y163 F165 L174H35-F41 HydrophobicContact CB-CD2 4.11Å; H35-F41 HydrophobicContact CB-CE2 4.24Å; G39-F41 PolarHBondContact O-N 3.34Å; F41-A43 PolarHBondContact O-N 2.97Å; F41-F154 AromaticContact CD1-CE1 3.95Å; F41-F154 HydrophobicContact CD1-CE1 3.95Å; F41-F154 HydrophobicContact CD1-CE2 4.4Å; F41-F154 AromaticContact CD1-CZ 3.38Å; F41-F154 HydrophobicContact CD1-CZ 3.38Å; F41-F154 AromaticContact CE1-CE1 3.43Å; F41-F154 HydrophobicContact CE1-CE1 3.43Å; F41-F154 VanDerWaalsContact CE1-CE1 3.43Å; F41-F154 HydrophobicContact CE1-CE2 4.16Å; F41-F154 AromaticContact CE1-CZ 3.15Å; F41-F154 HydrophobicContact CE1-CZ 3.15Å; F41-F154 HydrophobicContact CG-CZ 4.28Å; F41-F154 HydrophobicContact CZ-CE1 4.32Å; F41-F154 AromaticContact CZ-CZ 3.95Å; F41-F154 HydrophobicContact CZ-CZ 3.95Å; F41-Y163 HydrophobicContact CB-CD1 4.47Å; F41-F165 HydrophobicContact CD1-CD1 4.43Å; F41-F165 AromaticContact CE1-CD1 3.82Å; F41-F165 HydrophobicContact CE1-CD1 3.82Å; F41-F165 AromaticContact CE1-CE1 3.59Å; F41-F165 HydrophobicContact CE1-CE1 3.59Å; F41-F165 HydrophobicContact CZ-CE1 4.36Å; F41-L174 HydrophobicContact CZ-CD1 4.17Å
42T57Low67.9Low75 Ų7575.1 Ų75.146%0.4639%0.393SS..EExtended strand (participates in β ladder)trans-85.9112.4166.341.60000107.8S44 R164T42-S44 PolarHBondContact O-N 2.86Å; T42-R164 PolarHBondContact O-N 3.42Å
43A58.3Low67.6Low47 Ų4773.9 Ų73.939%0.38840%0.395SS..EExtended strand (participates in β ladder)trans-58.5132.9163.200000107.4F41F41-A43 PolarHBondContact O-N 2.97Å
44S56Low67.4Low34 Ų3473 Ų7324%0.23839%0.387CS..  trans-58.8158170.757.60000109.7T42 I46 Q161 L162T42-S44 PolarHBondContact O-N 2.86Å; S44-I46 WeakPolarHBondContact O-CG1 3.39Å; S44-I46 PolarHBondContact O-N 2.79Å; S44-I46 WeakPolarHBondContact OG-CD1 3.45Å; S44-I46 WeakPolarHBondContact OG-CG1 3.42Å; S44-Q161 VanDerWaalsContact CB-O 3.25Å; S44-Q161 WeakPolarHBondContact CB-O 3.36Å; S44-Q161 PolarHBondContact OG-O 3.46Å; S44-Q161 VanDerWaalsContact OG-O 3.05Å; S44-L162 PolarHBondContact N-O 3.42Å; S44-L162 VanDerWaalsContact N-O 3.16Å; S44-L162 PolarHBondContact OG-O 3.31Å; S44-L162 VanDerWaalsContact OG-O 3.13Å
45K57.1Low67.3Low226 Ų22674.8 Ų74.898%0.98339%0.394SS*.SBendtrans-6575172.9-82-175.1176.1-179.80109.8
46I59.8Low67.7Low68 Ų6880.3 Ų80.335%0.34942%0.418SS..  trans-94.5162.5167.8-30.6-178.6000107.5S44 T50 L162S44-I46 WeakPolarHBondContact O-CG1 3.39Å; S44-I46 PolarHBondContact O-N 2.79Å; S44-I46 WeakPolarHBondContact OG-CD1 3.45Å; S44-I46 WeakPolarHBondContact OG-CG1 3.42Å; I46-T50 HydrophobicContact CG2-CG2 4.28Å; I46-T50 WeakPolarHBondContact CG2-OG1 3.47Å; I46-L162 HydrophobicContact CD1-CB 4.44Å; I46-L162 HydrophobicContact CD1-CD2 3.41Å; I46-L162 VanDerWaalsContact CD1-CD2 3.41Å
47S64.8Low68.4Low61 Ų6182.3 Ų82.343%0.42742%0.417SS..  trans-61149.8177.782.80000111Y49 T50 E51S47-Y49 PolarHBondContact O-N 3.05Å; S47-T50 WeakPolarHBondContact CA-OG1 3.35Å; S47-T50 PolarHBondContact N-OG1 2.86Å; S47-T50 VanDerWaalsContact N-OG1 3.08Å; S47-T50 PolarHBondContact O-N 3.02Å; S47-T50 PolarHBondContact O-OG1 3.23Å; S47-T50 PolarHBondContact OG-N 2.98Å; S47-T50 PolarHBondContact OG-OG1 3.03Å; S47-E51 PolarHBondContact O-N 3.39Å
48F68.7Low69.6Low146 Ų14680 Ų8064%0.6441%0.405SS*.Hα-helixtrans-52.4-38.7176.9176-99.3000113E51 T52F48-E51 PolarHBondContact O-N 2.86Å; F48-T52 HydrophobicContact CD1-CG2 4.47Å; F48-T52 HydrophobicContact CD2-CG2 4.42Å; F48-T52 HydrophobicContact CE1-CG2 4.03Å; F48-T52 HydrophobicContact CE2-CG2 3.98Å; F48-T52 HydrophobicContact CZ-CG2 3.77Å; F48-T52 WeakPolarHBondContact O-CG2 3.07Å; F48-T52 PolarHBondContact O-N 2.93Å; F48-T52 PolarHBondContact O-OG1 3.42Å
49Y67Low71.1Confident188 Ų18876.5 Ų76.574%0.73739%0.393SS*.Hα-helixtrans-63.6-42177.1-68.5-75.6000112.9S47 T52 A53S47-Y49 PolarHBondContact O-N 3.05Å; Y49-T52 WeakPolarHBondContact CA-OG1 3.32Å; Y49-T52 PolarHBondContact O-OG1 3.04Å; Y49-T52 VanDerWaalsContact O-OG1 3.04Å; Y49-A53 VanDerWaalsContact O-CB 3.24Å; Y49-A53 WeakPolarHBondContact O-CB 3.45Å; Y49-A53 PolarHBondContact O-N 3.04Å
50T74.1Confident72.7Confident64 Ų6479.2 Ų79.239%0.39340%0.397SS..Hα-helixtrans-71.1-34.6178.738.20000112.3I46 S47 A54I46-T50 HydrophobicContact CG2-CG2 4.28Å; I46-T50 WeakPolarHBondContact CG2-OG1 3.47Å; S47-T50 WeakPolarHBondContact CA-OG1 3.35Å; S47-T50 PolarHBondContact N-OG1 2.86Å; S47-T50 VanDerWaalsContact N-OG1 3.08Å; S47-T50 PolarHBondContact O-N 3.02Å; S47-T50 PolarHBondContact O-OG1 3.23Å; S47-T50 PolarHBondContact OG-N 2.98Å; S47-T50 PolarHBondContact OG-OG1 3.03Å; T50-A54 VanDerWaalsContact O-CB 3.27Å; T50-A54 WeakPolarHBondContact O-CB 3.15Å; T50-A54 PolarHBondContact O-N 3.17Å
51E71.9Confident74.3Confident65 Ų6582.5 Ų82.530%0.30442%0.42SS..Hα-helixtrans-67.4-48.8175.8-171.8-172.2161.500111.4S47 F48 A53 A54 K55S47-E51 PolarHBondContact O-N 3.39Å; F48-E51 PolarHBondContact O-N 2.86Å; E51-A53 PolarHBondContact O-N 2.71Å; E51-A54 PolarHBondContact O-N 2.86Å; E51-K55 HydrophobicContact CG-CD 4.47Å; E51-K55 WeakPolarHBondContact O-CG 3.19Å; E51-K55 PolarHBondContact O-N 3.25Å; E51-K55 WeakPolarHBondContact OE1-CE 3.27Å; E51-K55 IonicContact OE1-NZ 2.82Å; E51-K55 PolarHBondContact OE1-NZ 2.92Å
52T76.2Confident76Confident60 Ų6082.7 Ų82.737%0.36843%0.426SS..Hα-helixtrans-63.2-41.9178.647.80000112F48 Y49 K55 F56F48-T52 HydrophobicContact CD1-CG2 4.47Å; F48-T52 HydrophobicContact CD2-CG2 4.42Å; F48-T52 HydrophobicContact CE1-CG2 4.03Å; F48-T52 HydrophobicContact CE2-CG2 3.98Å; F48-T52 HydrophobicContact CZ-CG2 3.77Å; F48-T52 WeakPolarHBondContact O-CG2 3.07Å; F48-T52 PolarHBondContact O-N 2.93Å; F48-T52 PolarHBondContact O-OG1 3.42Å; Y49-T52 WeakPolarHBondContact CA-OG1 3.32Å; Y49-T52 PolarHBondContact O-OG1 3.04Å; Y49-T52 VanDerWaalsContact O-OG1 3.04Å; T52-K55 PolarHBondContact O-N 3.33Å; T52-F56 WeakPolarHBondContact O-CB 3.24Å; T52-F56 PolarHBondContact O-N 3.5Å
53A80.3Confident77.9Confident44 Ų4479.1 Ų79.136%0.36440%0.404SS..Hα-helixtrans-62.2-43.6174.100000111.9Y49 E51 F56 W57Y49-A53 VanDerWaalsContact O-CB 3.24Å; Y49-A53 WeakPolarHBondContact O-CB 3.45Å; Y49-A53 PolarHBondContact O-N 3.04Å; E51-A53 PolarHBondContact O-N 2.71Å; A53-F56 PolarHBondContact O-N 3.43Å; A53-W57 PolarHBondContact O-N 3.36Å
54A80Confident79.8Confident41 Ų4180 Ų8034%0.33940%0.404SS..Hα-helixtrans-62.3-46177.400000111.7T50 E51 F56 W57 I58T50-A54 VanDerWaalsContact O-CB 3.27Å; T50-A54 WeakPolarHBondContact O-CB 3.15Å; T50-A54 PolarHBondContact O-N 3.17Å; E51-A54 PolarHBondContact O-N 2.86Å; A54-F56 VanDerWaalsContact C-N 3.3Å; A54-F56 PolarHBondContact O-N 3.26Å; A54-W57 PolarHBondContact O-N 3.32Å; A54-I58 WeakPolarHBondContact O-CB 3.27Å; A54-I58 WeakPolarHBondContact O-CD1 3.24Å; A54-I58 WeakPolarHBondContact O-CG1 3.41Å; A54-I58 PolarHBondContact O-N 2.86Å
55K84Confident81.7Confident69 Ų6980.5 Ų80.530%0.341%0.411SS..Hα-helixtrans-59-41.7176.1-73.2-179.8-178.5176.40112.2E32 E51 T52 S59E32-K55 WeakPolarHBondContact OE1-CD 3.28Å; E32-K55 WeakPolarHBondContact OE1-CE 3.5Å; E32-K55 IonicContact OE1-NZ 3.71Å; E51-K55 HydrophobicContact CG-CD 4.47Å; E51-K55 WeakPolarHBondContact O-CG 3.19Å; E51-K55 PolarHBondContact O-N 3.25Å; E51-K55 WeakPolarHBondContact OE1-CE 3.27Å; E51-K55 IonicContact OE1-NZ 2.82Å; E51-K55 PolarHBondContact OE1-NZ 2.92Å; T52-K55 PolarHBondContact O-N 3.33Å; K55-S59 WeakPolarHBondContact O-CB 3.3Å; K55-S59 PolarHBondContact O-N 3.49Å; K55-S59 PolarHBondContact O-OG 3.26Å
56F87Confident83.6Confident132 Ų13270 Ų7058%0.57937%0.366SS*.Hα-helixtrans-62-49.8175.1178.7-97.3000111.7T52 A53 A54 I58 S59 F60T52-F56 WeakPolarHBondContact O-CB 3.24Å; T52-F56 PolarHBondContact O-N 3.5Å; A53-F56 PolarHBondContact O-N 3.43Å; A54-F56 VanDerWaalsContact C-N 3.3Å; A54-F56 PolarHBondContact O-N 3.26Å; F56-I58 PolarHBondContact O-N 3.36Å; F56-S59 PolarHBondContact O-N 2.96Å; F56-F60 WeakPolarHBondContact O-CB 3.45Å; F56-F60 PolarHBondContact O-N 2.9Å
57W88.7Confident85.5Confident156 Ų15668.2 Ų68.259%0.59136%0.358SS*.Hα-helixtrans-62.5-40.8178.8-81.5112.9000112.8A53 A54 F60 C61A53-W57 PolarHBondContact O-N 3.36Å; A54-W57 PolarHBondContact O-N 3.32Å; W57-F60 HydrophobicContact CE3-CD1 4.36Å; W57-F60 HydrophobicContact CZ3-CD1 4.28Å; W57-F60 PolarHBondContact O-N 2.81Å; W57-C61 WeakPolarHBondContact O-CB 3.46Å; W57-C61 PolarHBondContact O-N 3.08Å; W57-C61 PolarHBondContact O-SG 2.89Å
58I89.4Confident87Confident48 Ų4869 Ų6925%0.24636%0.36CS..Hα-helixtrans-61.3-48.5175.9-68.3164000110.1A54 F56 F60 C61 C62 Y163A54-I58 WeakPolarHBondContact O-CB 3.27Å; A54-I58 WeakPolarHBondContact O-CD1 3.24Å; A54-I58 WeakPolarHBondContact O-CG1 3.41Å; A54-I58 PolarHBondContact O-N 2.86Å; F56-I58 PolarHBondContact O-N 3.36Å; I58-F60 VanDerWaalsContact C-N 3.32Å; I58-F60 PolarHBondContact O-N 3.4Å; I58-C61 PolarHBondContact O-N 3.48Å; I58-C62 PolarHBondContact O-N 3.43Å; I58-C62 PolarHBondContact O-SG 3.37Å; I58-Y163 HydrophobicContact CD1-CE2 4.46Å; I58-Y163 WeakPolarHBondContact CD1-OH 3.26Å
59S93.1Very high88.4Confident8 Ų862.7 Ų62.76%0.05633%0.334CS..Hα-helixtrans-59.1-44.5177.9-58.30000111.6I25 W29 K55 F56 C62 G63I25-S59 WeakPolarHBondContact CG1-O 3.48Å; W29-S59 PolarHBondContact NE1-OG 2.85Å; K55-S59 WeakPolarHBondContact O-CB 3.3Å; K55-S59 PolarHBondContact O-N 3.49Å; K55-S59 PolarHBondContact O-OG 3.26Å; F56-S59 PolarHBondContact O-N 2.96Å; S59-C62 PolarHBondContact O-N 2.83Å; S59-G63 PolarHBondContact O-N 2.73Å
60F94Very high89.8Confident84 Ų8453.7 Ų53.737%0.36830%0.298SS..Hα-helixtrans-61.3-46.3177-176-94.7000111.7F21 F56 W57 I58 C62 G63 V64F21-F60 HydrophobicContact CE2-CD2 4.07Å; F21-F60 HydrophobicContact CE2-CE2 4.01Å; F21-F60 AromaticContact CZ-CD2 3.69Å; F21-F60 HydrophobicContact CZ-CD2 3.69Å; F21-F60 AromaticContact CZ-CE2 3.78Å; F21-F60 HydrophobicContact CZ-CE2 3.78Å; F56-F60 WeakPolarHBondContact O-CB 3.45Å; F56-F60 PolarHBondContact O-N 2.9Å; W57-F60 HydrophobicContact CE3-CD1 4.36Å; W57-F60 HydrophobicContact CZ3-CD1 4.28Å; W57-F60 PolarHBondContact O-N 2.81Å; I58-F60 VanDerWaalsContact C-N 3.32Å; I58-F60 PolarHBondContact O-N 3.4Å; F60-C62 VanDerWaalsContact C-N 3.34Å; F60-C62 PolarHBondContact O-N 2.88Å; F60-G63 PolarHBondContact O-N 2.85Å; F60-V64 HydrophobicContact CD1-CG2 4.15Å; F60-V64 HydrophobicContact CE1-CG2 3.74Å; F60-V64 HydrophobicContact CZ-CG2 4.06Å; F60-V64 WeakPolarHBondContact O-CG2 3.4Å; F60-V64 PolarHBondContact O-N 3.24Å
61C93.6Very high90.9Very high74 Ų7452.4 Ų52.450%0.529%0.289SS..Hα-helixtrans-60.8-40.8175.9-72.40000112.3W57 I58 G63 V64 A65W57-C61 WeakPolarHBondContact O-CB 3.46Å; W57-C61 PolarHBondContact O-N 3.08Å; W57-C61 PolarHBondContact O-SG 2.89Å; I58-C61 PolarHBondContact O-N 3.48Å; C61-G63 VanDerWaalsContact C-N 3.34Å; C61-V64 PolarHBondContact O-N 3.21Å; C61-A65 WeakPolarHBondContact O-CB 3.21Å; C61-A65 PolarHBondContact O-N 3.04Å
62C94.8Very high92Very high47 Ų4753.3 Ų53.332%0.31830%0.295SS..Hα-helixtrans-61.9-41.5174-73.20000112C28 I58 S59 F60 A65 S66C28-C62 HydrophobicContact CB-CB 3.84Å; I58-C62 PolarHBondContact O-N 3.43Å; I58-C62 PolarHBondContact O-SG 3.37Å; S59-C62 PolarHBondContact O-N 2.83Å; F60-C62 VanDerWaalsContact C-N 3.34Å; F60-C62 PolarHBondContact O-N 2.88Å; C62-A65 PolarHBondContact O-N 2.9Å; C62-S66 WeakPolarHBondContact O-CB 3.14Å; C62-S66 PolarHBondContact O-N 3.17Å
63G97.3Very high92.9Very high0 Ų050.4 Ų50.40%028%0.278CS..Hα-helixtrans-58.3-51.3172.700000112.1F21 S59 F60 C61 A65 S66 V67F21-G63 VanDerWaalsContact CD2-C 3.42Å; F21-G63 WeakPolarHBondContact O-CA 3.19Å; S59-G63 PolarHBondContact O-N 2.73Å; F60-G63 PolarHBondContact O-N 2.85Å; C61-G63 VanDerWaalsContact C-N 3.34Å; G63-A65 PolarHBondContact O-N 3.17Å; G63-S66 WeakPolarHBondContact O-CB 3.29Å; G63-S66 PolarHBondContact O-N 2.89Å; G63-V67 WeakPolarHBondContact O-CG2 3.22Å; G63-V67 PolarHBondContact O-N 3.25Å; G63-V67 VanDerWaalsContact O-N 3.08Å
64V97.3Very high93.5Very high64 Ų6448.9 Ų48.939%0.38826%0.264SS..Hα-helixtrans-61.2-46.1178.5175.20000111.6F21 F60 C61 S66 V67 T68F21-V64 HydrophobicContact CE2-CG2 4.11Å; F60-V64 HydrophobicContact CD1-CG2 4.15Å; F60-V64 HydrophobicContact CE1-CG2 3.74Å; F60-V64 HydrophobicContact CZ-CG2 4.06Å; F60-V64 WeakPolarHBondContact O-CG2 3.4Å; F60-V64 PolarHBondContact O-N 3.24Å; C61-V64 PolarHBondContact O-N 3.21Å; V64-S66 VanDerWaalsContact C-N 3.27Å; V64-S66 PolarHBondContact O-N 3.04Å; V64-V67 WeakPolarHBondContact O-CB 3.41Å; V64-V67 PolarHBondContact O-N 3.38Å; V64-V67 VanDerWaalsContact O-N 3.14Å; V64-T68 PolarHBondContact O-N 3.23Å; V64-T68 PolarHBondContact O-OG1 3.46Å; V64-T68 VanDerWaalsContact O-OG1 3.08Å
65A96.4Very high94.1Very high46 Ų4650.1 Ų50.138%0.3827%0.269SS..Hα-helixtrans-59.4-40.517800000111.7C61 C62 G63 V67 T68 V69C61-A65 WeakPolarHBondContact O-CB 3.21Å; C61-A65 PolarHBondContact O-N 3.04Å; C62-A65 PolarHBondContact O-N 2.9Å; G63-A65 PolarHBondContact O-N 3.17Å; A65-V67 PolarHBondContact O-N 2.83Å; A65-T68 PolarHBondContact O-N 3.19Å; A65-V69 WeakPolarHBondContact O-CB 3.48Å; A65-V69 VanDerWaalsContact O-CG2 3.29Å; A65-V69 WeakPolarHBondContact O-CG2 3.25Å; A65-V69 PolarHBondContact O-N 3.4Å
66S98Very high94.5Very high5 Ų548.9 Ų48.94%0.03527%0.267CS..Hα-helixtrans-61-43.6175.81780000112.1L20 C62 G63 V64 G70 I185L20-S66 VanDerWaalsContact O-CB 3.23Å; L20-S66 WeakPolarHBondContact O-CB 3.45Å; L20-S66 PolarHBondContact O-OG 3.28Å; C62-S66 WeakPolarHBondContact O-CB 3.14Å; C62-S66 PolarHBondContact O-N 3.17Å; G63-S66 WeakPolarHBondContact O-CB 3.29Å; G63-S66 PolarHBondContact O-N 2.89Å; V64-S66 VanDerWaalsContact C-N 3.27Å; V64-S66 PolarHBondContact O-N 3.04Å; S66-G70 PolarHBondContact O-N 2.9Å; S66-I185 WeakPolarHBondContact O-CG2 3.42Å; S66-I185 WeakPolarHBondContact OG-CD1 3.37Å
67V98.3Very high94.8Very high31 Ų3142.6 Ų42.619%0.18824%0.24CC..Hα-helixtrans-61-49174177.30000111.1G17 L20 F21 G63 V64 A65 V69 L71G17-V67 WeakPolarHBondContact O-CG2 3.31Å; L20-V67 HydrophobicContact CB-CG2 4.07Å; F21-V67 HydrophobicContact CB-CG2 3.62Å; F21-V67 HydrophobicContact CD2-CG2 4.33Å; F21-V67 HydrophobicContact CG-CG2 4.49Å; G63-V67 WeakPolarHBondContact O-CG2 3.22Å; G63-V67 PolarHBondContact O-N 3.25Å; G63-V67 VanDerWaalsContact O-N 3.08Å; V64-V67 WeakPolarHBondContact O-CB 3.41Å; V64-V67 PolarHBondContact O-N 3.38Å; V64-V67 VanDerWaalsContact O-N 3.14Å; A65-V67 PolarHBondContact O-N 2.83Å; V67-V69 PolarHBondContact O-N 2.87Å; V67-L71 HydrophobicContact CG1-CD1 3.6Å; V67-L71 HydrophobicContact CG1-CG 4.14Å; V67-L71 VanDerWaalsContact O-CB 3.22Å; V67-L71 WeakPolarHBondContact O-CB 3.37Å; V67-L71 VanDerWaalsContact O-CG 3.29Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.48Å
68T97.1Very high94.8Very high77 Ų7738.3 Ų38.347%0.47223%0.233SC..Hα-helixtrans-59.6-50.5-178.8-54.20000111V64 A65 L72V64-T68 PolarHBondContact O-N 3.23Å; V64-T68 PolarHBondContact O-OG1 3.46Å; V64-T68 VanDerWaalsContact O-OG1 3.08Å; A65-T68 PolarHBondContact O-N 3.19Å; T68-L72 WeakPolarHBondContact O-CB 3.37Å; T68-L72 PolarHBondContact O-N 3.34Å
69V97.4Very high94.8Very high13 Ų1344.8 Ų44.88%0.07926%0.26CS..Hα-helixtrans-67.6-47.2-178173.70000111.2A65 V67 L71 L72 S73 F142 V146 I185 V186A65-V69 WeakPolarHBondContact O-CB 3.48Å; A65-V69 VanDerWaalsContact O-CG2 3.29Å; A65-V69 WeakPolarHBondContact O-CG2 3.25Å; A65-V69 PolarHBondContact O-N 3.4Å; V67-V69 PolarHBondContact O-N 2.87Å; V69-L71 PolarHBondContact O-N 2.92Å; V69-L72 PolarHBondContact O-N 3.34Å; V69-S73 WeakPolarHBondContact O-CB 3.4Å; V69-S73 PolarHBondContact O-N 2.86Å; V69-S73 PolarHBondContact O-OG 3.49Å; V69-F142 HydrophobicContact CB-CD1 4.37Å; V69-F142 HydrophobicContact CG1-CB 4.2Å; V69-F142 HydrophobicContact CG1-CD1 3.94Å; V69-F142 HydrophobicContact CG1-CG 4.38Å; V69-F142 HydrophobicContact CG2-CD1 4.25Å; V69-V146 HydrophobicContact CG2-CG2 3.53Å; V69-I185 HydrophobicContact CB-CG2 4.05Å; V69-I185 HydrophobicContact CG1-CG2 4.01Å; V69-V186 HydrophobicContact CG1-CG2 3.47Å; V69-V186 VanDerWaalsContact CG1-CG2 3.47Å
70G97Very high94.7Very high0 Ų049.6 Ų49.60%028%0.284CS..Hα-helixtrans-72.8-24.1-176.100000114.5S66 P74 G189S66-G70 PolarHBondContact O-N 2.9Å; G70-P74 WeakPolarHBondContact O-CD 3.39Å; G70-G189 VanDerWaalsContact O-CA 3.26Å; G70-G189 WeakPolarHBondContact O-CA 3.36Å
71L96.4Very high94.3Very high37 Ų3747.4 Ų47.419%0.19429%0.286CS..Hα-helixtrans-90.1-30.5172.3-65.6-174.4000113L13 R16 L20 V67 V69 P74 C75L13-L71 HydrophobicContact CD1-CD1 4.2Å; L13-L71 HydrophobicContact CD1-CD2 3.84Å; R16-L71 HydrophobicContact CB-CD2 4.09Å; L20-L71 HydrophobicContact CD1-CD2 3.9Å; L20-L71 HydrophobicContact CD1-CG 3.99Å; V67-L71 HydrophobicContact CG1-CD1 3.6Å; V67-L71 HydrophobicContact CG1-CG 4.14Å; V67-L71 VanDerWaalsContact O-CB 3.22Å; V67-L71 WeakPolarHBondContact O-CB 3.37Å; V67-L71 VanDerWaalsContact O-CG 3.29Å; V67-L71 WeakPolarHBondContact O-CG 3.47Å; V67-L71 PolarHBondContact O-N 3.48Å; V69-L71 PolarHBondContact O-N 2.92Å; L71-P74 WeakPolarHBondContact O-CD 3.28Å; L71-C75 PolarHBondContact O-SG 2.88Å
72L95.6Very high94Very high83 Ų8345.4 Ų45.444%0.43527%0.274SS..Hα-helixtrans-79.8-30.7179.8-165.663.1000112T68 V69 C75 V76 F142T68-L72 WeakPolarHBondContact O-CB 3.37Å; T68-L72 PolarHBondContact O-N 3.34Å; V69-L72 PolarHBondContact O-N 3.34Å; L72-C75 HydrophobicContact CD1-CB 4.44Å; L72-C75 WeakPolarHBondContact O-CB 3.37Å; L72-C75 PolarHBondContact O-N 3.49Å; L72-C75 VanDerWaalsContact O-N 3.14Å; L72-V76 HydrophobicContact CG-CG2 4.25Å; L72-V76 WeakPolarHBondContact O-CG2 3.3Å; L72-V76 PolarHBondContact O-N 2.86Å; L72-F142 HydrophobicContact CB-CE1 3.94Å; L72-F142 HydrophobicContact CB-CZ 3.92Å; L72-F142 HydrophobicContact CD2-CE1 3.75Å; L72-F142 HydrophobicContact CD2-CZ 3.67Å; L72-F142 HydrophobicContact CG-CE1 4.03Å; L72-F142 HydrophobicContact CG-CZ 3.66Å
73S94.9Very high93.5Very high0 Ų046.7 Ų46.70%027%0.273CS..Hα-helixtrans-57.3-46.9-179.567.70000113.4V69 C75 V76 D77V69-S73 WeakPolarHBondContact O-CB 3.4Å; V69-S73 PolarHBondContact O-N 2.86Å; V69-S73 PolarHBondContact O-OG 3.49Å; S73-C75 VanDerWaalsContact C-N 3.29Å; S73-C75 PolarHBondContact O-N 3.48Å; S73-V76 PolarHBondContact O-N 3.24Å; S73-D77 PolarHBondContact O-N 3.33Å; S73-D77 VanDerWaalsContact O-OD2 3.09Å
74P92.8Very high93Very high12 Ų1253 Ų538%0.07831%0.307CS..Hα-helixtrans-65.6-31.6177.5-22.839.2000113G70 L71 S78 Y86 A193G70-P74 WeakPolarHBondContact O-CD 3.39Å; L71-P74 WeakPolarHBondContact O-CD 3.28Å; P74-S78 WeakPolarHBondContact O-CB 3.49Å; P74-S78 PolarHBondContact O-N 2.83Å; P74-S78 PolarHBondContact O-OG 3.01Å; P74-Y86 WeakPolarHBondContact CA-OH 3.29Å; P74-Y86 VanDerWaalsContact CB-OH 3.29Å; P74-Y86 WeakPolarHBondContact CB-OH 3.36Å; P74-A193 HydrophobicContact CB-CB 3.73Å; P74-A193 HydrophobicContact CG-CB 3.58Å
75C92.1Very high92.5Very high66 Ų6650.6 Ų50.645%0.44629%0.294SS..Hα-helixtrans-65.5-43.7176.1-63.90000110.6L71 L72 S73 S78 K79L71-C75 PolarHBondContact O-SG 2.88Å; L72-C75 HydrophobicContact CD1-CB 4.44Å; L72-C75 WeakPolarHBondContact O-CB 3.37Å; L72-C75 PolarHBondContact O-N 3.49Å; L72-C75 VanDerWaalsContact O-N 3.14Å; S73-C75 VanDerWaalsContact C-N 3.29Å; S73-C75 PolarHBondContact O-N 3.48Å; C75-S78 PolarHBondContact O-OG 3.46Å; C75-K79 WeakPolarHBondContact O-CG 3.45Å; C75-K79 PolarHBondContact O-N 3.36Å
76V94Very high92.1Very high43 Ų4348.5 Ų48.526%0.26128%0.276SS..Hα-helixtrans-70.7-41.6177.5-179.20000111.1L72 S73 S78 K79 L80 V138 F142L72-V76 HydrophobicContact CG-CG2 4.25Å; L72-V76 WeakPolarHBondContact O-CG2 3.3Å; L72-V76 PolarHBondContact O-N 2.86Å; S73-V76 PolarHBondContact O-N 3.24Å; V76-S78 VanDerWaalsContact C-N 3.28Å; V76-S78 PolarHBondContact O-N 2.94Å; V76-K79 PolarHBondContact O-N 3.29Å; V76-K79 VanDerWaalsContact O-N 3.11Å; V76-L80 HydrophobicContact CG1-CD1 3.8Å; V76-L80 HydrophobicContact CG1-CG 4.31Å; V76-L80 PolarHBondContact O-N 2.91Å; V76-V138 HydrophobicContact CB-CG1 4.38Å; V76-V138 HydrophobicContact CB-CG2 4.4Å; V76-V138 HydrophobicContact CG1-CG1 4.41Å; V76-V138 HydrophobicContact CG1-CG2 3.75Å; V76-F142 HydrophobicContact CB-CE2 4.18Å; V76-F142 HydrophobicContact CG1-CE2 4.49Å; V76-F142 HydrophobicContact CG2-CE2 3.9Å; V76-F142 HydrophobicContact CG2-CZ 3.96Å
77D92.9Very high91.6Very high1 Ų153.9 Ų53.91%0.00530%0.304CS..Hα-helixtrans-57-42.7175.6-66.4-36.5000111.4S73 K79 L80 G81 A82 Y86 V138 R190S73-D77 PolarHBondContact O-N 3.33Å; S73-D77 VanDerWaalsContact O-OD2 3.09Å; D77-K79 VanDerWaalsContact C-N 3.32Å; D77-K79 PolarHBondContact O-N 3.42Å; D77-L80 PolarHBondContact O-N 3.34Å; D77-G81 PolarHBondContact O-N 2.86Å; D77-A82 HydrophobicContact CB-CB 4.35Å; D77-A82 PolarHBondContact O-N 3.44Å; D77-Y86 HydrophobicContact CB-CE2 4.17Å; D77-V138 VanDerWaalsContact OD1-CB 3.27Å; D77-V138 WeakPolarHBondContact OD1-CB 3.29Å; D77-V138 WeakPolarHBondContact OD1-CG1 3.44Å; D77-V138 VanDerWaalsContact OD1-CG2 3.24Å; D77-V138 WeakPolarHBondContact OD1-CG2 3.42Å; D77-R190 IonicContact OD1-CZ 2.55Å; D77-R190 IonicContact OD1-NE 3.3Å; D77-R190 IonicContact OD1-NH2 2.7Å; D77-R190 PolarHBondContact OD1-NH2 2.99Å; D77-R190 IonicContact OD2-CZ 3.93Å; D77-R190 IonicContact OD2-NE 2.83Å; D77-R190 PolarHBondContact OD2-NE 3.38Å; D77-R190 IonicContact OD2-NH2 2.71Å; D77-R190 PolarHBondContact OD2-NH2 3.28Å
78S88.1Confident91.1Very high65 Ų6555.6 Ų55.646%0.45531%0.309SS..Hα-helixtrans-65.9-32.3178.572.50000113.5P74 C75 V76P74-S78 WeakPolarHBondContact O-CB 3.49Å; P74-S78 PolarHBondContact O-N 2.83Å; P74-S78 PolarHBondContact O-OG 3.01Å; C75-S78 PolarHBondContact O-OG 3.46Å; V76-S78 VanDerWaalsContact C-N 3.28Å; V76-S78 PolarHBondContact O-N 2.94Å
79K90.2Very high90.9Very high185 Ų18558.2 Ų58.280%0.80432%0.316SS*.Hα-helixtrans-75.6-33.2175.9-72-179.3180-175.30112.4C75 V76 D77C75-K79 WeakPolarHBondContact O-CG 3.45Å; C75-K79 PolarHBondContact O-N 3.36Å; V76-K79 PolarHBondContact O-N 3.29Å; V76-K79 VanDerWaalsContact O-N 3.11Å; D77-K79 VanDerWaalsContact C-N 3.32Å; D77-K79 PolarHBondContact O-N 3.42Å
80L90.6Very high90.8Very high108 Ų10863.5 Ų63.557%0.56534%0.335SS*.Hα-helixtrans-86.6-6.8178-67175.5000113.2V76 D77 A82 V138V76-L80 HydrophobicContact CG1-CD1 3.8Å; V76-L80 HydrophobicContact CG1-CG 4.31Å; V76-L80 PolarHBondContact O-N 2.91Å; D77-L80 PolarHBondContact O-N 3.34Å; L80-A82 VanDerWaalsContact C-N 3.26Å; L80-A82 PolarHBondContact O-N 3.31Å; L80-V138 HydrophobicContact CD1-CG2 3.5Å
81G86.2Confident90.8Very high39 Ų3965.8 Ų65.840%0.40235%0.351SS..THydrogen-bonded Turntrans68.224-175.900000113.6D77 Y83D77-G81 PolarHBondContact O-N 2.86Å; G81-Y83 VanDerWaalsContact O-CD2 3.3Å; G81-Y83 WeakPolarHBondContact O-CD2 3.47Å; G81-Y83 PolarHBondContact O-N 2.91Å
82A87.7Confident90.7Very high31 Ų3165 Ų6526%0.25635%0.348SS..  trans-80.955.7-174.100000112.8D77 L80 D84 A85D77-A82 HydrophobicContact CB-CB 4.35Å; D77-A82 PolarHBondContact O-N 3.44Å; L80-A82 VanDerWaalsContact C-N 3.26Å; L80-A82 PolarHBondContact O-N 3.31Å; A82-D84 VanDerWaalsContact C-N 3.31Å; A82-D84 PolarHBondContact O-N 3.23Å; A82-A85 WeakPolarHBondContact O-CB 3.31Å; A82-A85 PolarHBondContact O-N 3.4Å
83Y84.2Confident90.7Very high75 Ų7561.1 Ų61.129%0.29433%0.328SS..G310 helixtrans-69.8-25.7-174.9-61.1-71.2000113.6G81 A85 Y86 V197 M201 K204G81-Y83 VanDerWaalsContact O-CD2 3.3Å; G81-Y83 WeakPolarHBondContact O-CD2 3.47Å; G81-Y83 PolarHBondContact O-N 2.91Å; Y83-A85 PolarHBondContact O-N 3.43Å; Y83-A85 VanDerWaalsContact O-N 3.14Å; Y83-Y86 WeakPolarHBondContact O-CB 3.35Å; Y83-Y86 PolarHBondContact O-N 2.96Å; Y83-V197 HydrophobicContact CD1-CG1 4.15Å; Y83-V197 HydrophobicContact CE1-CG1 4.4Å; Y83-M201 HydrophobicContact CD1-CG 4.18Å; Y83-M201 HydrophobicContact CD1-SD 3.59Å; Y83-M201 VanDerWaalsContact CD1-SD 3.59Å; Y83-M201 HydrophobicContact CE1-CG 4.3Å; Y83-M201 HydrophobicContact CE1-SD 4.26Å; Y83-M201 HydrophobicContact CG-SD 3.79Å; Y83-K204 PolarHBondContact OH-NZ 3.4Å
84D85.6Confident90.8Very high131 Ų13166.7 Ų66.770%0.70136%0.357SS*.G310 helixtrans-60.3-25.3178-63.7-40.1000113.1A82 Y86 N87A82-D84 VanDerWaalsContact C-N 3.31Å; A82-D84 PolarHBondContact O-N 3.23Å; D84-Y86 PolarHBondContact O-N 2.86Å; D84-Y86 VanDerWaalsContact O-N 3.14Å; D84-N87 WeakPolarHBondContact O-CB 3.43Å; D84-N87 PolarHBondContact O-N 2.86Å
85A86.5Confident91Very high14 Ų1473.6 Ų73.612%0.11638%0.382CS..G310 helixtrans-61.7-20.5176.400000113.1A82 Y83A82-A85 WeakPolarHBondContact O-CB 3.31Å; A82-A85 PolarHBondContact O-N 3.4Å; Y83-A85 PolarHBondContact O-N 3.43Å; Y83-A85 VanDerWaalsContact O-N 3.14Å
86Y87.7Confident91.2Very high3 Ų370.5 Ų70.51%0.01236%0.361CS..G310 helixtrans-88.7-6.5-179.2-67.6-92.1000114.2P74 D77 Y83 D84 K88 R190 A193 K194 V197 M198P74-Y86 WeakPolarHBondContact CA-OH 3.29Å; P74-Y86 VanDerWaalsContact CB-OH 3.29Å; P74-Y86 WeakPolarHBondContact CB-OH 3.36Å; D77-Y86 HydrophobicContact CB-CE2 4.17Å; Y83-Y86 WeakPolarHBondContact O-CB 3.35Å; Y83-Y86 PolarHBondContact O-N 2.96Å; D84-Y86 PolarHBondContact O-N 2.86Å; D84-Y86 VanDerWaalsContact O-N 3.14Å; Y86-K88 PolarHBondContact O-N 3.4Å; Y86-R190 HydrophobicContact CD1-CB 4.42Å; Y86-R190 HydrophobicContact CE1-CB 4.05Å; Y86-R190 HydrophobicContact CE1-CG 4.31Å; Y86-R190 WeakPolarHBondContact CE1-O 3.26Å; Y86-A193 HydrophobicContact CE1-CB 4.18Å; Y86-K194 HydrophobicContact CD1-CB 4.14Å; Y86-K194 HydrophobicContact CD1-CG 4.3Å; Y86-K194 WeakPolarHBondContact O-CE 3.42Å; Y86-K194 PolarHBondContact O-NZ 3.32Å; Y86-V197 HydrophobicContact CD1-CB 4.34Å; Y86-V197 HydrophobicContact CD1-CG1 4.37Å; Y86-V197 HydrophobicContact CD1-CG2 4.5Å; Y86-V197 HydrophobicContact CD2-CG1 4.18Å; Y86-V197 HydrophobicContact CE1-CB 4.1Å; Y86-V197 HydrophobicContact CE1-CG1 4.3Å; Y86-V197 HydrophobicContact CE1-CG2 3.77Å; Y86-V197 HydrophobicContact CE2-CG1 4.11Å; Y86-V197 HydrophobicContact CE2-CG2 4.47Å; Y86-V197 HydrophobicContact CG-CG1 4.31Å; Y86-M198 VanDerWaalsContact CB-CE 3.42Å; Y86-M198 HydrophobicContact CG-CE 4.3Å
87N87.6Confident91.2Very high118 Ų11869.2 Ų69.263%0.63135%0.354SS*.G310 helixtrans-69.5-9.9177.4-71.5-21.6000113.1D84D84-N87 WeakPolarHBondContact O-CB 3.43Å; D84-N87 PolarHBondContact O-N 2.86Å
88K89Confident91.4Very high66 Ų6672.3 Ų72.329%0.28738%0.379SS..  trans-71.4150.3177.1-55.8-63.6-176.41690111.8Y86 F133 Q191 K194Y86-K88 PolarHBondContact O-N 3.4Å; K88-F133 VanDerWaalsContact CE-O 3.27Å; K88-F133 WeakPolarHBondContact CE-O 3.23Å; K88-Q191 PolarHBondContact O-NE2 3.26Å; K88-Q191 PolarHBondContact O-OE1 2.96Å; K88-K194 PolarHBondContact O-NZ 3.35Å
89E93.2Very high91.8Very high132 Ų13273.4 Ų73.462%0.61738%0.38SS*.  trans-99.4162.4174.5-62-179.7170.500111.8S91 S92 V93E89-S91 PolarHBondContact O-N 3.2Å; E89-S92 WeakPolarHBondContact O-CB 3.37Å; E89-S92 PolarHBondContact O-N 3.23Å; E89-V93 PolarHBondContact O-N 3.44Å
90W95Very high92Very high124 Ų12465 Ų6547%0.4734%0.343SS..Hα-helixtrans-56-32.2172-83.9106.5000113.3S92 V93 L94 V188 Q191 L192W90-S92 PolarHBondContact O-N 3.39Å; W90-V93 HydrophobicContact CE3-CB 4.31Å; W90-V93 HydrophobicContact CE3-CG1 4.48Å; W90-V93 HydrophobicContact CZ3-CG1 4.44Å; W90-V93 WeakPolarHBondContact O-CB 3.43Å; W90-V93 PolarHBondContact O-N 2.9Å; W90-V93 VanDerWaalsContact O-N 3.07Å; W90-L94 WeakPolarHBondContact O-CG 3.2Å; W90-L94 PolarHBondContact O-N 2.88Å; W90-V188 HydrophobicContact CH2-CG1 4.38Å; W90-Q191 HydrophobicContact CD2-CB 4.02Å; W90-Q191 HydrophobicContact CD2-CG 4.2Å; W90-Q191 HydrophobicContact CE3-CB 4.29Å; W90-Q191 HydrophobicContact CE3-CG 4.39Å; W90-Q191 HydrophobicContact CH2-CB 3.81Å; W90-Q191 HydrophobicContact CZ2-CB 3.5Å; W90-Q191 HydrophobicContact CZ3-CB 4.19Å; W90-L192 HydrophobicContact CH2-CD2 4.07Å; W90-L192 HydrophobicContact CH2-CG 4.26Å; W90-L192 HydrophobicContact CZ2-CD2 4.08Å; W90-L192 HydrophobicContact CZ2-CG 4.49Å
91S95.6Very high92.1Very high48 Ų4862.1 Ų62.134%0.33633%0.326SS..Hα-helixtrans-56.7-39.4173.7-177.50000112.1E89 V93 L94 R95E89-S91 PolarHBondContact O-N 3.2Å; S91-V93 PolarHBondContact O-N 3Å; S91-L94 PolarHBondContact O-N 3.36Å; S91-R95 WeakPolarHBondContact O-CB 3.26Å; S91-R95 VanDerWaalsContact O-CG 3.24Å; S91-R95 WeakPolarHBondContact O-CG 3.34Å; S91-R95 PolarHBondContact O-N 3.28Å
92S94.6Very high92.4Very high20 Ų2062.2 Ų62.214%0.1433%0.327CS..Hα-helixtrans-63.8-41.2175.8-169.90000111.7E89 W90 C96 F133E89-S92 WeakPolarHBondContact O-CB 3.37Å; E89-S92 PolarHBondContact O-N 3.23Å; W90-S92 PolarHBondContact O-N 3.39Å; S92-C96 WeakPolarHBondContact O-CB 3.42Å; S92-C96 PolarHBondContact O-N 3.45Å; S92-F133 VanDerWaalsContact O-CD1 3.32Å; S92-F133 WeakPolarHBondContact O-CD1 3.41Å
93V96.2Very high92.5Very high2 Ų261.3 Ų61.31%0.01232%0.317CS..Hα-helixtrans-67-46.3179.4-176.80000110.9E89 W90 S91 R95 C96 S97 L187 V188 Q191E89-V93 PolarHBondContact O-N 3.44Å; W90-V93 HydrophobicContact CE3-CB 4.31Å; W90-V93 HydrophobicContact CE3-CG1 4.48Å; W90-V93 HydrophobicContact CZ3-CG1 4.44Å; W90-V93 WeakPolarHBondContact O-CB 3.43Å; W90-V93 PolarHBondContact O-N 2.9Å; W90-V93 VanDerWaalsContact O-N 3.07Å; S91-V93 PolarHBondContact O-N 3Å; V93-R95 VanDerWaalsContact C-N 3.33Å; V93-R95 PolarHBondContact O-N 2.91Å; V93-C96 WeakPolarHBondContact O-CB 3.46Å; V93-C96 PolarHBondContact O-N 3.32Å; V93-S97 PolarHBondContact O-N 2.95Å; V93-S97 PolarHBondContact O-OG 3.16Å; V93-S97 VanDerWaalsContact O-OG 3.05Å; V93-L187 HydrophobicContact CG1-CB 4.36Å; V93-L187 HydrophobicContact CG2-CB 4.04Å; V93-V188 HydrophobicContact CG1-CB 4.48Å; V93-V188 HydrophobicContact CG1-CG2 3.45Å; V93-V188 VanDerWaalsContact CG1-CG2 3.45Å; V93-Q191 HydrophobicContact CG2-CG 3.43Å; V93-Q191 VanDerWaalsContact CG2-CG 3.43Å
94L96.5Very high92.6Very high117 Ų11757.8 Ų57.861%0.61330%0.303SS*.Hα-helixtrans-61-41.2177.6-68.6173.1000112W90 S91 S97 A98W90-L94 WeakPolarHBondContact O-CG 3.2Å; W90-L94 PolarHBondContact O-N 2.88Å; S91-L94 PolarHBondContact O-N 3.36Å; L94-S97 PolarHBondContact O-N 2.97Å; L94-A98 WeakPolarHBondContact O-CB 3.4Å; L94-A98 PolarHBondContact O-N 3.22Å
95R96.7Very high92.7Very high158 Ų15855 Ų5560%0.59629%0.286SS*.Hα-helixtrans-63-43.3174.5-72.5172-172.9177.62.1112.1S91 V93 A98 L99 F133S91-R95 WeakPolarHBondContact O-CB 3.26Å; S91-R95 VanDerWaalsContact O-CG 3.24Å; S91-R95 WeakPolarHBondContact O-CG 3.34Å; S91-R95 PolarHBondContact O-N 3.28Å; V93-R95 VanDerWaalsContact C-N 3.33Å; V93-R95 PolarHBondContact O-N 2.91Å; R95-A98 PolarHBondContact O-N 3.03Å; R95-L99 WeakPolarHBondContact O-CB 3.39Å; R95-L99 WeakPolarHBondContact O-CG 3.47Å; R95-L99 PolarHBondContact O-N 3.09Å; R95-F133 HydrophobicContact CB-CE1 3.62Å; R95-F133 HydrophobicContact CB-CZ 4.06Å
96C96.3Very high92.7Very high1 Ų155.8 Ų55.81%0.00729%0.292CS..Hα-helixtrans-61.9-46.6176.8-167.20000111.2S92 V93 A98 L99 F100 F133 V184 L187S92-C96 WeakPolarHBondContact O-CB 3.42Å; S92-C96 PolarHBondContact O-N 3.45Å; V93-C96 WeakPolarHBondContact O-CB 3.46Å; V93-C96 PolarHBondContact O-N 3.32Å; C96-A98 PolarHBondContact O-N 3.44Å; C96-L99 PolarHBondContact O-N 3.41Å; C96-F100 PolarHBondContact O-N 2.79Å; C96-F133 HydrophobicContact CB-CB 3.98Å; C96-F133 HydrophobicContact CB-CD1 3.88Å; C96-F133 HydrophobicContact CB-CD2 4.01Å; C96-F133 HydrophobicContact CB-CE1 4.43Å; C96-F133 HydrophobicContact CB-CG 3.65Å; C96-V184 HydrophobicContact CB-CG2 4.42Å; C96-L187 HydrophobicContact CB-CD1 3.95Å
97S95.9Very high92.4Very high16 Ų1655.7 Ų55.711%0.11229%0.292CS..Hα-helixtrans-59.3-45.8174.9-57.60000112.3V93 L94 L99 F100 F101 V184V93-S97 PolarHBondContact O-N 2.95Å; V93-S97 PolarHBondContact O-OG 3.16Å; V93-S97 VanDerWaalsContact O-OG 3.05Å; L94-S97 PolarHBondContact O-N 2.97Å; S97-L99 PolarHBondContact O-N 3.27Å; S97-F100 WeakPolarHBondContact O-CB 3.46Å; S97-F100 PolarHBondContact O-N 3.47Å; S97-F101 WeakPolarHBondContact O-CD2 3.32Å; S97-F101 PolarHBondContact O-N 3.36Å; S97-V184 WeakPolarHBondContact OG-CG1 3.33Å
98A96.2Very high91.9Very high65 Ų6550.2 Ų50.254%0.53726%0.263SS..Hα-helixtrans-62.3-42.3178.900000111.8L94 R95 C96 F101 G102L94-A98 WeakPolarHBondContact O-CB 3.4Å; L94-A98 PolarHBondContact O-N 3.22Å; R95-A98 PolarHBondContact O-N 3.03Å; C96-A98 PolarHBondContact O-N 3.44Å; A98-F101 PolarHBondContact O-N 2.83Å; A98-G102 PolarHBondContact O-N 3.43Å
99L95.5Very high91.2Very high89 Ų8954.3 Ų54.347%0.46628%0.277SS..Hα-helixtrans-68.6-34.2175.7-73.1170.5000112.5R95 C96 S97 G102 F103 L129 F133R95-L99 WeakPolarHBondContact O-CB 3.39Å; R95-L99 WeakPolarHBondContact O-CG 3.47Å; R95-L99 PolarHBondContact O-N 3.09Å; C96-L99 PolarHBondContact O-N 3.41Å; S97-L99 PolarHBondContact O-N 3.27Å; L99-G102 PolarHBondContact O-N 3.45Å; L99-F103 WeakPolarHBondContact O-CB 3.28Å; L99-F103 PolarHBondContact O-N 3.03Å; L99-L129 HydrophobicContact CB-CD2 3.62Å; L99-L129 HydrophobicContact CD1-CD2 3.99Å; L99-L129 HydrophobicContact CG-CD2 4.49Å; L99-F133 HydrophobicContact CD1-CE2 3.38Å; L99-F133 HydrophobicContact CD1-CZ 3.43Å; L99-F133 VanDerWaalsContact CD1-CZ 3.43Å
100F95.1Very high90.4Very high9 Ų952.2 Ų52.24%0.03927%0.268CS..Hα-helixtrans-61.3-48.4172.7165.1-106.7000111.8F27 C96 S97 F103 S104 L177 V184F27-F100 HydrophobicContact CD2-CD1 4.41Å; F27-F100 HydrophobicContact CD2-CE1 4.11Å; F27-F100 HydrophobicContact CE2-CD1 4.18Å; F27-F100 HydrophobicContact CE2-CE1 4.34Å; C96-F100 PolarHBondContact O-N 2.79Å; S97-F100 WeakPolarHBondContact O-CB 3.46Å; S97-F100 PolarHBondContact O-N 3.47Å; F100-F103 PolarHBondContact O-N 2.9Å; F100-S104 WeakPolarHBondContact O-CB 3.28Å; F100-S104 PolarHBondContact O-N 2.81Å; F100-S104 PolarHBondContact O-OG 3.44Å; F100-L177 HydrophobicContact CE2-CD2 4.31Å; F100-L177 WeakPolarHBondContact CE2-O 3.5Å; F100-V184 HydrophobicContact CB-CG2 4.14Å
101F93.6Very high89.4Confident47 Ų4752.7 Ų52.721%0.20628%0.28CS..Hα-helixtrans-69.2-35.7176.6-69.7-59.6000112.3F27 A30 L34 S97 A98 S104 H105F27-F101 HydrophobicContact CB-CZ 4.43Å; F27-F101 HydrophobicContact CD1-CE2 4.15Å; F27-F101 AromaticContact CD1-CZ 3.65Å; F27-F101 HydrophobicContact CD1-CZ 3.65Å; F27-F101 AromaticContact CD2-CZ 3.98Å; F27-F101 HydrophobicContact CD2-CZ 3.98Å; F27-F101 AromaticContact CE1-CE2 3.73Å; F27-F101 HydrophobicContact CE1-CE2 3.73Å; F27-F101 AromaticContact CE1-CZ 3.72Å; F27-F101 HydrophobicContact CE1-CZ 3.72Å; F27-F101 HydrophobicContact CE2-CE2 4.22Å; F27-F101 HydrophobicContact CE2-CZ 4.06Å; F27-F101 AromaticContact CG-CZ 3.77Å; F27-F101 HydrophobicContact CG-CZ 3.77Å; F27-F101 AromaticContact CZ-CE2 3.77Å; F27-F101 HydrophobicContact CZ-CE2 3.77Å; F27-F101 AromaticContact CZ-CZ 3.93Å; F27-F101 HydrophobicContact CZ-CZ 3.93Å; A30-F101 HydrophobicContact CB-CD1 4.12Å; A30-F101 HydrophobicContact CB-CE1 3.43Å; A30-F101 VanDerWaalsContact CB-CE1 3.43Å; A30-F101 HydrophobicContact CB-CZ 3.86Å; L34-F101 HydrophobicContact CD1-CB 4.29Å; L34-F101 HydrophobicContact CD1-CD1 3.87Å; S97-F101 WeakPolarHBondContact O-CD2 3.32Å; S97-F101 PolarHBondContact O-N 3.36Å; A98-F101 PolarHBondContact O-N 2.83Å; F101-S104 PolarHBondContact O-N 3.08Å; F101-H105 VanDerWaalsContact O-CB 3.26Å; F101-H105 WeakPolarHBondContact O-CB 3.44Å; F101-H105 PolarHBondContact O-N 2.91Å
102G92.4Very high88.3Confident40 Ų4052.9 Ų52.941%0.41228%0.275SS..Hα-helixtrans-62.5-43.8173.100000112.2A98 L99 H105 A106A98-G102 PolarHBondContact O-N 3.43Å; L99-G102 PolarHBondContact O-N 3.45Å; G102-H105 PolarHBondContact O-N 2.9Å; G102-A106 WeakPolarHBondContact O-CB 3.39Å; G102-A106 PolarHBondContact O-N 3.29Å
103F88.8Confident87.6Confident13 Ų1356.1 Ų56.16%0.05730%0.303CS..Hα-helixtrans-59.5-50.3172.1164.7-127.6000111.1L99 F100 H105 A106 T107 A122 L125 C176 L177L99-F103 WeakPolarHBondContact O-CB 3.28Å; L99-F103 PolarHBondContact O-N 3.03Å; F100-F103 PolarHBondContact O-N 2.9Å; F103-H105 VanDerWaalsContact C-N 3.33Å; F103-H105 PolarHBondContact O-N 3.46Å; F103-A106 PolarHBondContact O-N 3.28Å; F103-A106 VanDerWaalsContact O-N 3.17Å; F103-T107 HydrophobicContact CD2-CG2 3.79Å; F103-T107 HydrophobicContact CE2-CG2 3.35Å; F103-T107 HydrophobicContact CZ-CG2 4.05Å; F103-T107 WeakPolarHBondContact O-CG2 3.19Å; F103-T107 PolarHBondContact O-N 2.9Å; F103-T107 PolarHBondContact O-OG1 3.13Å; F103-A122 HydrophobicContact CE2-CB 3.8Å; F103-A122 HydrophobicContact CZ-CB 3.62Å; F103-L125 HydrophobicContact CD2-CB 4.29Å; F103-L125 HydrophobicContact CD2-CD1 3.6Å; F103-L125 HydrophobicContact CE2-CB 4.43Å; F103-L125 HydrophobicContact CE2-CD1 4.04Å; F103-L125 HydrophobicContact CG-CD1 4.46Å; F103-C176 HydrophobicContact CZ-CB 4.43Å; F103-L177 HydrophobicContact CD1-CD2 3.87Å; F103-L177 HydrophobicContact CE1-CD2 3.53Å; F103-L177 HydrophobicContact CE1-CG 4.2Å; F103-L177 HydrophobicContact CZ-CD2 4.17Å
104S87.3Confident87Confident0 Ų059.4 Ų59.40%032%0.323CS..Hα-helixtrans-60.4-41.1178.2-53.30000112.5F100 F101 T107 A108 L177F100-S104 WeakPolarHBondContact O-CB 3.28Å; F100-S104 PolarHBondContact O-N 2.81Å; F100-S104 PolarHBondContact O-OG 3.44Å; F101-S104 PolarHBondContact O-N 3.08Å; S104-T107 WeakPolarHBondContact CA-OG1 3.48Å; S104-T107 PolarHBondContact O-OG1 3.27Å; S104-A108 WeakPolarHBondContact O-CB 3.27Å; S104-A108 PolarHBondContact O-N 3.42Å; S104-L177 VanDerWaalsContact OG-CD2 3.3Å; S104-L177 WeakPolarHBondContact OG-CD2 3.45Å
105H86.6Confident86.3Confident74 Ų7458 Ų5834%0.34331%0.311SS..Hα-helixtrans-67.7-41.5175.8-179.9-91.9000111.4L34 F101 G102 F103 A108 R109L34-H105 HydrophobicContact CD1-CB 4.49Å; L34-H105 HydrophobicContact CD2-CB 3.83Å; F101-H105 VanDerWaalsContact O-CB 3.26Å; F101-H105 WeakPolarHBondContact O-CB 3.44Å; F101-H105 PolarHBondContact O-N 2.91Å; G102-H105 PolarHBondContact O-N 2.9Å; F103-H105 VanDerWaalsContact C-N 3.33Å; F103-H105 PolarHBondContact O-N 3.46Å; H105-A108 CarbonylContact O-C 3.56Å; H105-A108 PolarHBondContact O-N 2.8Å; H105-R109 PolarHBondContact O-N 3.45Å
106A86.3Confident85.7Confident29 Ų2953.8 Ų53.824%0.2431%0.305CS..Hα-helixtrans-63.9-43.3178.500000111.5G102 F103 A108 R109 I110G102-A106 WeakPolarHBondContact O-CB 3.39Å; G102-A106 PolarHBondContact O-N 3.29Å; F103-A106 PolarHBondContact O-N 3.28Å; F103-A106 VanDerWaalsContact O-N 3.17Å; A106-A108 VanDerWaalsContact C-N 3.26Å; A106-A108 PolarHBondContact O-N 2.97Å; A106-R109 PolarHBondContact O-N 2.88Å; A106-I110 HydrophobicContact CB-CD1 3.89Å; A106-I110 HydrophobicContact CB-CG1 4.49Å; A106-I110 VanDerWaalsContact O-CB 3.3Å; A106-I110 WeakPolarHBondContact O-CB 3.39Å; A106-I110 WeakPolarHBondContact O-CG1 3.42Å; A106-I110 PolarHBondContact O-N 3.14Å
107T81.2Confident85.3Confident2 Ų257.9 Ų57.91%0.01232%0.324CS..Hα-helixtrans-62.4-36174.951.90000111.8R38 F103 S104 L118 W173R38-T107 PolarHBondContact NH1-O 2.78Å; F103-T107 HydrophobicContact CD2-CG2 3.79Å; F103-T107 HydrophobicContact CE2-CG2 3.35Å; F103-T107 HydrophobicContact CZ-CG2 4.05Å; F103-T107 WeakPolarHBondContact O-CG2 3.19Å; F103-T107 PolarHBondContact O-N 2.9Å; F103-T107 PolarHBondContact O-OG1 3.13Å; S104-T107 WeakPolarHBondContact CA-OG1 3.48Å; S104-T107 PolarHBondContact O-OG1 3.27Å; T107-L118 HydrophobicContact CG2-CD1 3.75Å; T107-W173 HydrophobicContact CG2-CE3 4.15Å; T107-W173 HydrophobicContact CG2-CZ3 3.95Å; T107-W173 WeakPolarHBondContact OG1-CZ3 3.49Å
108A77.8Confident84.8Confident2 Ų257.2 Ų57.22%0.01732%0.319CS..Hα-helixtrans-81.4-8179.200000115R38 S104 H105 A106R38-A108 VanDerWaalsContact CB-O 3.32Å; R38-A108 WeakPolarHBondContact CB-O 3.46Å; R38-A108 WeakPolarHBondContact CD-O 3.49Å; S104-A108 WeakPolarHBondContact O-CB 3.27Å; S104-A108 PolarHBondContact O-N 3.42Å; H105-A108 CarbonylContact O-C 3.56Å; H105-A108 PolarHBondContact O-N 2.8Å; A106-A108 VanDerWaalsContact C-N 3.26Å; A106-A108 PolarHBondContact O-N 2.97Å
109R75.3Confident84.4Confident153 Ų15354.9 Ų54.958%0.57730%0.299SS*.Hα-helixtrans-127.6-27.2-178.9-81.2-141.8-177.9-151.80.2115.3H105 A106H105-R109 PolarHBondContact O-N 3.45Å; A106-R109 PolarHBondContact O-N 2.88Å
110I75.6Confident84.2Confident87 Ų8756.4 Ų56.445%0.44631%0.307SS..  trans-80.4125.9-178.7-60.7177.5000108.2R38 A106 F112R38-I110 PolarHBondContact NH2-O 2.95Å; A106-I110 HydrophobicContact CB-CD1 3.89Å; A106-I110 HydrophobicContact CB-CG1 4.49Å; A106-I110 VanDerWaalsContact O-CB 3.3Å; A106-I110 WeakPolarHBondContact O-CB 3.39Å; A106-I110 WeakPolarHBondContact O-CG1 3.42Å; A106-I110 PolarHBondContact O-N 3.14Å; I110-F112 HydrophobicContact CB-CD2 4.35Å; I110-F112 HydrophobicContact CB-CE2 3.79Å; I110-F112 HydrophobicContact CB-CZ 4.16Å; I110-F112 HydrophobicContact CG2-CD2 4.24Å; I110-F112 HydrophobicContact CG2-CE1 4.46Å; I110-F112 HydrophobicContact CG2-CE2 3.97Å; I110-F112 HydrophobicContact CG2-CZ 4.1Å; I110-F112 WeakPolarHBondContact O-CD2 3.4Å; I110-F112 PolarHBondContact O-N 3.18Å
111D73.7Confident84Confident134 Ų13458.4 Ų58.472%0.71732%0.32SS*.  trans-78.1103.9168.4-68.5-36.5000108.5R38R38-D111 IonicContact CZ-OD1 3.97Å; R38-D111 IonicContact NH2-OD1 3.63Å; R38-D111 PolarHBondContact NH2-OD1 3.43Å
112F72.8Confident83.9Confident52 Ų5256.2 Ų56.223%0.22831%0.31CS..  trans-78.4143.7173.8-68.5-92.2000109.4I110 T114 Q117 L118 T121I110-F112 HydrophobicContact CB-CD2 4.35Å; I110-F112 HydrophobicContact CB-CE2 3.79Å; I110-F112 HydrophobicContact CB-CZ 4.16Å; I110-F112 HydrophobicContact CG2-CD2 4.24Å; I110-F112 HydrophobicContact CG2-CE1 4.46Å; I110-F112 HydrophobicContact CG2-CE2 3.97Å; I110-F112 HydrophobicContact CG2-CZ 4.1Å; I110-F112 WeakPolarHBondContact O-CD2 3.4Å; I110-F112 PolarHBondContact O-N 3.18Å; F112-T114 PolarHBondContact O-N 2.99Å; F112-Q117 HydrophobicContact CD1-CG 4.4Å; F112-L118 HydrophobicContact CB-CB 4.05Å; F112-L118 HydrophobicContact CD1-CB 4.26Å; F112-L118 HydrophobicContact CD2-CB 3.92Å; F112-L118 HydrophobicContact CD2-CD1 3.57Å; F112-L118 HydrophobicContact CD2-CD2 4.49Å; F112-L118 HydrophobicContact CD2-CG 4.18Å; F112-L118 HydrophobicContact CE1-CD1 4.47Å; F112-L118 HydrophobicContact CE2-CB 4.48Å; F112-L118 HydrophobicContact CE2-CD1 3.36Å; F112-L118 HydrophobicContact CE2-CG 4.42Å; F112-L118 HydrophobicContact CG-CB 3.8Å; F112-L118 HydrophobicContact CG-CD1 4.24Å; F112-L118 HydrophobicContact CZ-CD1 3.85Å; F112-T121 HydrophobicContact CE1-CG2 4.48Å
113A79.1Confident84Confident89 Ų8957.5 Ų57.574%0.73631%0.307SS*.SBendtrans-61.1-31.6179.100000112.1
114T84.5Confident84.2Confident70 Ų7058.8 Ų58.843%0.42932%0.324SS..  trans-144.7150.5175.657.70000111.5F112 S116 Q117 L118F112-T114 PolarHBondContact O-N 2.99Å; T114-S116 PolarHBondContact O-N 3.29Å; T114-S116 PolarHBondContact OG1-OG 2.92Å; T114-S116 VanDerWaalsContact OG1-OG 3.11Å; T114-Q117 WeakPolarHBondContact O-CB 3.42Å; T114-Q117 PolarHBondContact O-N 3.49Å; T114-Q117 VanDerWaalsContact OG1-CB 3.27Å; T114-Q117 WeakPolarHBondContact OG1-CB 3.47Å; T114-Q117 PolarHBondContact OG1-N 3.08Å; T114-L118 PolarHBondContact O-N 3.08Å; T114-L118 VanDerWaalsContact O-N 3.14Å
115Y81.9Confident84.6Confident89 Ų8962.9 Ų62.935%0.34935%0.346SS..Hα-helixtrans-65.4-27.4174.1-66.2-72000113.2L118 S119 H167 M169 M170Y115-L118 HydrophobicContact CD1-CD2 4.4Å; Y115-L118 PolarHBondContact O-N 2.69Å; Y115-S119 PolarHBondContact O-N 3.35Å; Y115-H167 HydrophobicContact CD2-CB 4.39Å; Y115-H167 AromaticContact CD2-CD2 3.94Å; Y115-H167 AromaticContact CD2-CE1 3.42Å; Y115-H167 VanDerWaalsContact CD2-CE1 3.42Å; Y115-H167 WeakPolarHBondContact CD2-CE1 3.43Å; Y115-H167 AromaticContact CD2-CG 3.65Å; Y115-H167 AromaticContact CD2-ND1 3.29Å; Y115-H167 VanDerWaalsContact CD2-ND1 3.29Å; Y115-H167 WeakPolarHBondContact CD2-ND1 3.29Å; Y115-H167 AromaticContact CD2-NE2 3.82Å; Y115-H167 HydrophobicContact CE1-CB 4.05Å; Y115-H167 HydrophobicContact CE2-CB 3.78Å; Y115-H167 AromaticContact CE2-CD2 3.48Å; Y115-H167 VanDerWaalsContact CE2-CD2 3.48Å; Y115-H167 WeakPolarHBondContact CE2-CD2 3.4Å; Y115-H167 AromaticContact CE2-CE1 3.79Å; Y115-H167 AromaticContact CE2-CG 3.3Å; Y115-H167 AromaticContact CE2-ND1 3.5Å; Y115-H167 AromaticContact CE2-NE2 3.8Å; Y115-H167 AromaticContact CG-ND1 3.71Å; Y115-H167 AromaticContact CZ-CG 3.68Å; Y115-M169 VanDerWaalsContact CB-CB 3.42Å; Y115-M169 HydrophobicContact CG-CB 4.03Å; Y115-M170 HydrophobicContact CD1-CE 4.25Å; Y115-M170 HydrophobicContact CD1-SD 3.81Å; Y115-M170 HydrophobicContact CE1-CE 3.52Å; Y115-M170 HydrophobicContact CE1-CG 4.32Å; Y115-M170 HydrophobicContact CE1-SD 3.66Å
116S83.3Confident85Confident68 Ų6859.7 Ų59.748%0.47633%0.332SS..Hα-helixtrans-65.5-42.5172.950.20000111.1T114 S119 L120T114-S116 PolarHBondContact O-N 3.29Å; T114-S116 PolarHBondContact OG1-OG 2.92Å; T114-S116 VanDerWaalsContact OG1-OG 3.11Å; S116-S119 PolarHBondContact O-N 2.91Å; S116-L120 WeakPolarHBondContact O-CB 3.45Å; S116-L120 WeakPolarHBondContact O-CG 3.26Å; S116-L120 PolarHBondContact O-N 2.96Å
117Q87.4Confident85.5Confident87 Ų8762.3 Ų62.341%0.40734%0.341SS..Hα-helixtrans-60.7-45173.6-175.3-176.83.800111.4F112 T114 S119 L120 T121F112-Q117 HydrophobicContact CD1-CG 4.4Å; T114-Q117 WeakPolarHBondContact O-CB 3.42Å; T114-Q117 PolarHBondContact O-N 3.49Å; T114-Q117 VanDerWaalsContact OG1-CB 3.27Å; T114-Q117 WeakPolarHBondContact OG1-CB 3.47Å; T114-Q117 PolarHBondContact OG1-N 3.08Å; Q117-S119 VanDerWaalsContact C-N 3.34Å; Q117-S119 PolarHBondContact O-N 3.26Å; Q117-L120 PolarHBondContact O-N 2.91Å; Q117-T121 HydrophobicContact CG-CG2 4.43Å; Q117-T121 VanDerWaalsContact O-CG2 3.27Å; Q117-T121 WeakPolarHBondContact O-CG2 3.3Å; Q117-T121 PolarHBondContact O-N 3.49Å; Q117-T121 PolarHBondContact O-OG1 3.14Å; Q117-T121 VanDerWaalsContact O-OG1 3.05Å
118L86.3Confident86.2Confident2 Ų264.3 Ų64.31%0.0136%0.357CS..Hα-helixtrans-56.9-45.3174.2169.364.5000112T107 F112 T114 Y115 T121 A122 M170 W173T107-L118 HydrophobicContact CG2-CD1 3.75Å; F112-L118 HydrophobicContact CB-CB 4.05Å; F112-L118 HydrophobicContact CD1-CB 4.26Å; F112-L118 HydrophobicContact CD2-CB 3.92Å; F112-L118 HydrophobicContact CD2-CD1 3.57Å; F112-L118 HydrophobicContact CD2-CD2 4.49Å; F112-L118 HydrophobicContact CD2-CG 4.18Å; F112-L118 HydrophobicContact CE1-CD1 4.47Å; F112-L118 HydrophobicContact CE2-CB 4.48Å; F112-L118 HydrophobicContact CE2-CD1 3.36Å; F112-L118 HydrophobicContact CE2-CG 4.42Å; F112-L118 HydrophobicContact CG-CB 3.8Å; F112-L118 HydrophobicContact CG-CD1 4.24Å; F112-L118 HydrophobicContact CZ-CD1 3.85Å; T114-L118 PolarHBondContact O-N 3.08Å; T114-L118 VanDerWaalsContact O-N 3.14Å; Y115-L118 HydrophobicContact CD1-CD2 4.4Å; Y115-L118 PolarHBondContact O-N 2.69Å; L118-T121 PolarHBondContact O-OG1 3.49Å; L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.49Å; L118-M170 HydrophobicContact CD2-SD 4.04Å; L118-W173 HydrophobicContact CD2-CG 4.37Å; L118-W173 HydrophobicContact CG-CG 4.29Å
119S88.5Confident87.1Confident16 Ų1664.8 Ų64.811%0.11236%0.36CS..Hα-helixtrans-67.1-43.2180179.30000112.3Y115 S116 Q117 A122 I123Y115-S119 PolarHBondContact O-N 3.35Å; S116-S119 PolarHBondContact O-N 2.91Å; Q117-S119 VanDerWaalsContact C-N 3.34Å; Q117-S119 PolarHBondContact O-N 3.26Å; S119-A122 PolarHBondContact O-N 3.11Å; S119-I123 VanDerWaalsContact O-CG1 3.27Å; S119-I123 WeakPolarHBondContact O-CG1 3.42Å; S119-I123 PolarHBondContact O-N 2.99Å
120L90.1Very high88.1Confident122 Ų12259.3 Ų59.364%0.63934%0.339SS*.Hα-helixtrans-65.2-41.2178-72.1172.3000112.3S116 Q117 I123 G124S116-L120 WeakPolarHBondContact O-CB 3.45Å; S116-L120 WeakPolarHBondContact O-CG 3.26Å; S116-L120 PolarHBondContact O-N 2.96Å; Q117-L120 PolarHBondContact O-N 2.91Å; L120-I123 PolarHBondContact O-N 3.47Å; L120-G124 PolarHBondContact O-N 3.3Å
121T90.9Very high89.1Confident51 Ų5161.8 Ų61.831%0.31334%0.343SS..Hα-helixtrans-66.1-40.917656.50000111.1F112 Q117 L118 G124 L125F112-T121 HydrophobicContact CE1-CG2 4.48Å; Q117-T121 HydrophobicContact CG-CG2 4.43Å; Q117-T121 VanDerWaalsContact O-CG2 3.27Å; Q117-T121 WeakPolarHBondContact O-CG2 3.3Å; Q117-T121 PolarHBondContact O-N 3.49Å; Q117-T121 PolarHBondContact O-OG1 3.14Å; Q117-T121 VanDerWaalsContact O-OG1 3.05Å; L118-T121 PolarHBondContact O-OG1 3.49Å; T121-G124 PolarHBondContact O-N 3.44Å; T121-L125 WeakPolarHBondContact O-CB 3.36Å; T121-L125 VanDerWaalsContact O-CG 3.28Å; T121-L125 WeakPolarHBondContact O-CG 3.42Å; T121-L125 PolarHBondContact O-N 3.49Å
122A91.8Very high90.2Very high0 Ų059.7 Ų59.70%034%0.335CS..Hα-helixtrans-60.2-45.1174.800000112.6F103 L118 S119 L125 S126 W173 C176F103-A122 HydrophobicContact CE2-CB 3.8Å; F103-A122 HydrophobicContact CZ-CB 3.62Å; L118-A122 VanDerWaalsContact O-CB 3.24Å; L118-A122 WeakPolarHBondContact O-CB 3.4Å; L118-A122 PolarHBondContact O-N 3.49Å; S119-A122 PolarHBondContact O-N 3.11Å; A122-L125 PolarHBondContact O-N 3.25Å; A122-S126 VanDerWaalsContact O-CB 3.29Å; A122-S126 WeakPolarHBondContact O-CB 3.37Å; A122-S126 PolarHBondContact O-N 3.48Å; A122-S126 PolarHBondContact O-OG 2.91Å; A122-W173 HydrophobicContact CB-CB 3.76Å; A122-C176 HydrophobicContact CB-CB 4.04Å
123I93.9Very high91.3Very high68 Ų6858.3 Ų58.335%0.34933%0.329SS..Hα-helixtrans-60-51.8175.4-68.8164.7000109.7S119 L120 L125 S126 I127 C176S119-I123 VanDerWaalsContact O-CG1 3.27Å; S119-I123 WeakPolarHBondContact O-CG1 3.42Å; S119-I123 PolarHBondContact O-N 2.99Å; L120-I123 PolarHBondContact O-N 3.47Å; I123-L125 PolarHBondContact O-N 3.23Å; I123-S126 PolarHBondContact O-N 2.9Å; I123-S126 PolarHBondContact O-OG 3.42Å; I123-I127 HydrophobicContact CG2-CD1 3.81Å; I123-I127 WeakPolarHBondContact O-CG1 3.17Å; I123-I127 PolarHBondContact O-N 2.86Å; I123-C176 WeakPolarHBondContact CG1-SG 3.34Å
124G95Very high91.9Very high40 Ų4054.5 Ų54.541%0.41230%0.296SS..Hα-helixtrans-58-45.8179.900000113.1L120 T121 I127 A128L120-G124 PolarHBondContact O-N 3.3Å; T121-G124 PolarHBondContact O-N 3.44Å; G124-I127 PolarHBondContact O-N 2.9Å; G124-A128 VanDerWaalsContact O-CB 3.26Å; G124-A128 WeakPolarHBondContact O-CB 3.48Å; G124-A128 PolarHBondContact O-N 3.02Å
125L94.2Very high92.4Very high86 Ų8659.3 Ų59.345%0.4531%0.306SS..Hα-helixtrans-65.6-39.8178-72.6173.9000112.3F103 T121 A122 I123 A128 L129F103-L125 HydrophobicContact CD2-CB 4.29Å; F103-L125 HydrophobicContact CD2-CD1 3.6Å; F103-L125 HydrophobicContact CE2-CB 4.43Å; F103-L125 HydrophobicContact CE2-CD1 4.04Å; F103-L125 HydrophobicContact CG-CD1 4.46Å; T121-L125 WeakPolarHBondContact O-CB 3.36Å; T121-L125 VanDerWaalsContact O-CG 3.28Å; T121-L125 WeakPolarHBondContact O-CG 3.42Å; T121-L125 PolarHBondContact O-N 3.49Å; A122-L125 PolarHBondContact O-N 3.25Å; I123-L125 PolarHBondContact O-N 3.23Å; L125-A128 PolarHBondContact O-N 3.46Å; L125-L129 WeakPolarHBondContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.96Å
126S95.8Very high93Very high7 Ų755.7 Ų55.75%0.04929%0.294CS..Hα-helixtrans-64.7-43.2178.471.90000112A122 I123 L129 W130 F179 S180A122-S126 VanDerWaalsContact O-CB 3.29Å; A122-S126 WeakPolarHBondContact O-CB 3.37Å; A122-S126 PolarHBondContact O-N 3.48Å; A122-S126 PolarHBondContact O-OG 2.91Å; I123-S126 PolarHBondContact O-N 2.9Å; I123-S126 PolarHBondContact O-OG 3.42Å; S126-L129 PolarHBondContact O-N 3.16Å; S126-W130 PolarHBondContact O-N 3.35Å; S126-F179 WeakPolarHBondContact O-CE1 3.41Å; S126-S180 WeakPolarHBondContact CB-OG 3.47Å
127I96.2Very high93.5Very high83 Ų8358.1 Ų58.143%0.42630%0.301SS..Hα-helixtrans-66.2-42.3174.9-65.2170.7000110.4I123 G124 L129 W130 W131I123-I127 HydrophobicContact CG2-CD1 3.81Å; I123-I127 WeakPolarHBondContact O-CG1 3.17Å; I123-I127 PolarHBondContact O-N 2.86Å; G124-I127 PolarHBondContact O-N 2.9Å; I127-L129 PolarHBondContact O-N 3.41Å; I127-W130 PolarHBondContact O-N 2.97Å; I127-W131 WeakPolarHBondContact O-CB 3.28Å; I127-W131 PolarHBondContact O-N 3.14Å
128A96.2Very high93.9Very high44 Ų4454.2 Ų54.236%0.36428%0.283SS..Hα-helixtrans-62.5-41.9178.100000112.2G124 L125 W131 V132G124-A128 VanDerWaalsContact O-CB 3.26Å; G124-A128 WeakPolarHBondContact O-CB 3.48Å; G124-A128 PolarHBondContact O-N 3.02Å; L125-A128 PolarHBondContact O-N 3.46Å; A128-W131 PolarHBondContact O-N 3.33Å; A128-V132 WeakPolarHBondContact O-CB 3.37Å; A128-V132 VanDerWaalsContact O-CG2 3.28Å; A128-V132 WeakPolarHBondContact O-CG2 3.47Å; A128-V132 PolarHBondContact O-N 2.98Å
129L96Very high94.4Very high13 Ų1354.1 Ų54.17%0.06828%0.283CS..Hα-helixtrans-58-49.6175-84.8174.9000111.5L99 L125 S126 I127 F133L99-L129 HydrophobicContact CB-CD2 3.62Å; L99-L129 HydrophobicContact CD1-CD2 3.99Å; L99-L129 HydrophobicContact CG-CD2 4.49Å; L125-L129 WeakPolarHBondContact O-CB 3.29Å; L125-L129 WeakPolarHBondContact O-CG 3.48Å; L125-L129 PolarHBondContact O-N 2.96Å; S126-L129 PolarHBondContact O-N 3.16Å; I127-L129 PolarHBondContact O-N 3.41Å; L129-F133 HydrophobicContact CD2-CD2 3.95Å; L129-F133 HydrophobicContact CD2-CE2 3.88Å; L129-F133 WeakPolarHBondContact O-CD2 3.22Å; L129-F133 PolarHBondContact O-N 2.94Å; L129-F133 VanDerWaalsContact O-N 3.14Å
130W97.5Very high94.8Very high38 Ų3856.9 Ų56.914%0.14429%0.293CS..Iπ-helixtrans-60.4-47.4175.2166.770.1000111.6S126 I127 V132 D134 R135 S136 F140 F179 V183S126-W130 PolarHBondContact O-N 3.35Å; I127-W130 PolarHBondContact O-N 2.97Å; W130-V132 PolarHBondContact O-N 2.86Å; W130-D134 PolarHBondContact NE1-OD2 3.11Å; W130-D134 CarbonylContact O-C 3.51Å; W130-D134 WeakPolarHBondContact O-CA 3.43Å; W130-D134 WeakPolarHBondContact O-CB 3.36Å; W130-D134 PolarHBondContact O-N 3.46Å; W130-R135 PolarHBondContact O-N 3.39Å; W130-S136 PolarHBondContact NE1-O 2.85Å; W130-F140 HydrophobicContact CD2-CB 4.41Å; W130-F140 AromaticContact CD2-CD2 3.84Å; W130-F140 HydrophobicContact CD2-CD2 3.84Å; W130-F140 AromaticContact CE2-CD2 3.83Å; W130-F140 AromaticContact CE3-CD2 3.94Å; W130-F140 HydrophobicContact CE3-CD2 3.94Å; W130-F140 HydrophobicContact CE3-CE2 4.48Å; W130-F140 HydrophobicContact CG-CD2 4.45Å; W130-F140 HydrophobicContact CH2-CD2 4.03Å; W130-F140 HydrophobicContact CH2-CG 4.46Å; W130-F140 HydrophobicContact CZ2-CB 3.72Å; W130-F140 AromaticContact CZ2-CD2 3.95Å; W130-F140 HydrophobicContact CZ2-CD2 3.95Å; W130-F140 HydrophobicContact CZ2-CG 4.11Å; W130-F140 HydrophobicContact CZ3-CD2 4.02Å; W130-F140 HydrophobicContact CZ3-CE2 4.44Å; W130-F179 HydrophobicContact CB-CE1 3.73Å; W130-F179 HydrophobicContact CB-CZ 3.83Å; W130-F179 HydrophobicContact CG-CE1 4.44Å; W130-F179 HydrophobicContact CG-CZ 4.06Å; W130-V183 HydrophobicContact CB-CG1 4.49Å; W130-V183 HydrophobicContact CB-CG2 4.2Å
131W96.8Very high95.1Very high139 Ų13954.8 Ų54.853%0.52729%0.285SS..Iπ-helixtrans-63.8-41.5-176.2-172.3-99.9000113.5I127 A128 R135I127-W131 WeakPolarHBondContact O-CB 3.28Å; I127-W131 PolarHBondContact O-N 3.14Å; A128-W131 PolarHBondContact O-N 3.33Å; W131-R135 HydrophobicContact CD2-CG 4.42Å; W131-R135 HydrophobicContact CE3-CG 4.21Å; W131-R135 HydrophobicContact CZ3-CG 4.32Å
132V95.9Very high95.4Very high90 Ų9053.6 Ų53.655%0.54528%0.275SS..Iπ-helixtrans-76.1-45.4-176.3171.70000111.7A128 W130A128-V132 WeakPolarHBondContact O-CB 3.37Å; A128-V132 VanDerWaalsContact O-CG2 3.28Å; A128-V132 WeakPolarHBondContact O-CG2 3.47Å; A128-V132 PolarHBondContact O-N 2.98Å; W130-V132 PolarHBondContact O-N 2.86Å
133F95.1Very high95.6Very high22 Ų2253.6 Ų53.610%0.09628%0.275CS..Iπ-helixtrans-94.5-31.8-169.7-66.6-78.3000113.6K88 S92 R95 C96 L99 L129 L187K88-F133 VanDerWaalsContact CE-O 3.27Å; K88-F133 WeakPolarHBondContact CE-O 3.23Å; S92-F133 VanDerWaalsContact O-CD1 3.32Å; S92-F133 WeakPolarHBondContact O-CD1 3.41Å; R95-F133 HydrophobicContact CB-CE1 3.62Å; R95-F133 HydrophobicContact CB-CZ 4.06Å; C96-F133 HydrophobicContact CB-CB 3.98Å; C96-F133 HydrophobicContact CB-CD1 3.88Å; C96-F133 HydrophobicContact CB-CD2 4.01Å; C96-F133 HydrophobicContact CB-CE1 4.43Å; C96-F133 HydrophobicContact CB-CG 3.65Å; L99-F133 HydrophobicContact CD1-CE2 3.38Å; L99-F133 HydrophobicContact CD1-CZ 3.43Å; L99-F133 VanDerWaalsContact CD1-CZ 3.43Å; L129-F133 HydrophobicContact CD2-CD2 3.95Å; L129-F133 HydrophobicContact CD2-CE2 3.88Å; L129-F133 WeakPolarHBondContact O-CD2 3.22Å; L129-F133 PolarHBondContact O-N 2.94Å; L129-F133 VanDerWaalsContact O-N 3.14Å; F133-L187 HydrophobicContact CB-CD1 3.91Å
134D93.4Very high95.8Very high9 Ų953.9 Ų53.95%0.04828%0.276CS..Iπ-helixtrans-114.6-61.5-171.2-176.751.5000113.1W130 S136 G139 V183 L187 R190W130-D134 PolarHBondContact NE1-OD2 3.11Å; W130-D134 CarbonylContact O-C 3.51Å; W130-D134 WeakPolarHBondContact O-CA 3.43Å; W130-D134 WeakPolarHBondContact O-CB 3.36Å; W130-D134 PolarHBondContact O-N 3.46Å; D134-S136 PolarHBondContact O-N 2.76Å; D134-S136 VanDerWaalsContact O-N 3.13Å; D134-S136 PolarHBondContact OD1-OG 3.18Å; D134-S136 VanDerWaalsContact OD1-OG 3.12Å; D134-S136 WeakPolarHBondContact OD2-CB 3.45Å; D134-S136 PolarHBondContact OD2-N 3.32Å; D134-S136 VanDerWaalsContact OD2-N 3.15Å; D134-S136 PolarHBondContact OD2-OG 3.31Å; D134-G139 VanDerWaalsContact OD2-CA 3.3Å; D134-G139 WeakPolarHBondContact OD2-CA 3.38Å; D134-V183 HydrophobicContact CB-CG1 4Å; D134-L187 HydrophobicContact CB-CD2 4.05Å; D134-L187 HydrophobicContact CB-CG 4.46Å; D134-R190 IonicContact OD1-CZ 2.88Å; D134-R190 IonicContact OD1-NH1 3.58Å; D134-R190 PolarHBondContact OD1-NH1 3.07Å; D134-R190 IonicContact OD2-NH1 3.68Å
135R94Very high95.9Very high171 Ų17154 Ų5465%0.64527%0.273SS*.  trans54.922.9-177.5-156.4-177.7171.3178.7-3.6113.8W130 W131W130-R135 PolarHBondContact O-N 3.39Å; W131-R135 HydrophobicContact CD2-CG 4.42Å; W131-R135 HydrophobicContact CE3-CG 4.21Å; W131-R135 HydrophobicContact CZ3-CG 4.32Å
136S94.5Very high96Very high13 Ų1351.6 Ų51.69%0.09126%0.262CS..  trans-106.3145.2-177.682.10000111.4W130 D134 V138 G139 F140 R190W130-S136 PolarHBondContact NE1-O 2.85Å; D134-S136 PolarHBondContact O-N 2.76Å; D134-S136 VanDerWaalsContact O-N 3.13Å; D134-S136 PolarHBondContact OD1-OG 3.18Å; D134-S136 VanDerWaalsContact OD1-OG 3.12Å; D134-S136 WeakPolarHBondContact OD2-CB 3.45Å; D134-S136 PolarHBondContact OD2-N 3.32Å; D134-S136 VanDerWaalsContact OD2-N 3.15Å; D134-S136 PolarHBondContact OD2-OG 3.31Å; S136-V138 VanDerWaalsContact C-N 3.29Å; S136-V138 PolarHBondContact O-N 3.49Å; S136-G139 PolarHBondContact O-N 3.26Å; S136-G139 PolarHBondContact OG-N 3.43Å; S136-F140 PolarHBondContact O-N 2.83Å; S136-F140 VanDerWaalsContact O-N 3.08Å; S136-R190 PolarHBondContact OG-NH1 3.06Å; S136-R190 PolarHBondContact OG-NH2 2.99Å
137L94.8Very high96.1Very high120 Ų12051.4 Ų51.463%0.62826%0.261SS*.Hα-helixtrans-61.5-40.9174.1-178.566.5000111.2F140 V141L137-F140 WeakPolarHBondContact O-CB 3.41Å; L137-F140 PolarHBondContact O-N 3.36Å; L137-V141 HydrophobicContact CD1-CG2 4.14Å; L137-V141 HydrophobicContact CG-CG2 4.24Å; L137-V141 WeakPolarHBondContact O-CB 3.3Å; L137-V141 VanDerWaalsContact O-CG2 3.31Å; L137-V141 WeakPolarHBondContact O-CG2 3.39Å; L137-V141 PolarHBondContact O-N 3.47Å
138V95.7Very high96Very high5 Ų553 Ų533%0.0327%0.27CS..Hα-helixtrans-61.8-48.11791730000110.5V76 D77 L80 S136 F140 V141 F142V76-V138 HydrophobicContact CB-CG1 4.38Å; V76-V138 HydrophobicContact CB-CG2 4.4Å; V76-V138 HydrophobicContact CG1-CG1 4.41Å; V76-V138 HydrophobicContact CG1-CG2 3.75Å; D77-V138 VanDerWaalsContact OD1-CB 3.27Å; D77-V138 WeakPolarHBondContact OD1-CB 3.29Å; D77-V138 WeakPolarHBondContact OD1-CG1 3.44Å; D77-V138 VanDerWaalsContact OD1-CG2 3.24Å; D77-V138 WeakPolarHBondContact OD1-CG2 3.42Å; L80-V138 HydrophobicContact CD1-CG2 3.5Å; S136-V138 VanDerWaalsContact C-N 3.29Å; S136-V138 PolarHBondContact O-N 3.49Å; V138-F140 VanDerWaalsContact C-N 3.29Å; V138-F140 PolarHBondContact O-N 3Å; V138-V141 PolarHBondContact O-N 3.2Å; V138-F142 HydrophobicContact CG1-CD2 3.52Å; V138-F142 HydrophobicContact CG1-CE2 3.72Å; V138-F142 WeakPolarHBondContact O-CB 3.48Å; V138-F142 VanDerWaalsContact O-CD2 3.27Å; V138-F142 WeakPolarHBondContact O-CD2 3.02Å; V138-F142 PolarHBondContact O-N 2.95Å
139G95.6Very high96Very high0 Ų056 Ų560%028%0.278CS..Hα-helixtrans-63-36.2177.400000112.9D134 S136 G143D134-G139 VanDerWaalsContact OD2-CA 3.3Å; D134-G139 WeakPolarHBondContact OD2-CA 3.38Å; S136-G139 PolarHBondContact O-N 3.26Å; S136-G139 PolarHBondContact OG-N 3.43Å; G139-G143 PolarHBondContact O-N 3.3Å
140F96.9Very high95.9Very high73 Ų7356.4 Ų56.432%0.3228%0.284SS..Hα-helixtrans-62.9-52172.8-171-99000112W130 S136 L137 V138 G143 M144 F179W130-F140 HydrophobicContact CD2-CB 4.41Å; W130-F140 AromaticContact CD2-CD2 3.84Å; W130-F140 HydrophobicContact CD2-CD2 3.84Å; W130-F140 AromaticContact CE2-CD2 3.83Å; W130-F140 AromaticContact CE3-CD2 3.94Å; W130-F140 HydrophobicContact CE3-CD2 3.94Å; W130-F140 HydrophobicContact CE3-CE2 4.48Å; W130-F140 HydrophobicContact CG-CD2 4.45Å; W130-F140 HydrophobicContact CH2-CD2 4.03Å; W130-F140 HydrophobicContact CH2-CG 4.46Å; W130-F140 HydrophobicContact CZ2-CB 3.72Å; W130-F140 AromaticContact CZ2-CD2 3.95Å; W130-F140 HydrophobicContact CZ2-CD2 3.95Å; W130-F140 HydrophobicContact CZ2-CG 4.11Å; W130-F140 HydrophobicContact CZ3-CD2 4.02Å; W130-F140 HydrophobicContact CZ3-CE2 4.44Å; S136-F140 PolarHBondContact O-N 2.83Å; S136-F140 VanDerWaalsContact O-N 3.08Å; L137-F140 WeakPolarHBondContact O-CB 3.41Å; L137-F140 PolarHBondContact O-N 3.36Å; V138-F140 VanDerWaalsContact C-N 3.29Å; V138-F140 PolarHBondContact O-N 3Å; F140-G143 PolarHBondContact O-N 3.47Å; F140-M144 HydrophobicContact CD1-CG 4.13Å; F140-M144 HydrophobicContact CE1-CG 3.78Å; F140-M144 HydrophobicContact CE2-CG 4.39Å; F140-M144 HydrophobicContact CZ-CG 3.92Å; F140-M144 HydrophobicContact CZ-SD 4.34Å; F140-M144 WeakPolarHBondContact O-CB 3.38Å; F140-M144 VanDerWaalsContact O-CG 3.31Å; F140-M144 WeakPolarHBondContact O-CG 3.42Å; F140-M144 PolarHBondContact O-N 2.95Å; F140-F179 AromaticContact CD2-CE2 3.99Å; F140-F179 HydrophobicContact CD2-CE2 3.99Å; F140-F179 AromaticContact CD2-CZ 3.84Å; F140-F179 HydrophobicContact CD2-CZ 3.84Å; F140-F179 HydrophobicContact CE2-CE2 4.22Å; F140-F179 HydrophobicContact CE2-CZ 4.17Å
141V97.3Very high95.6Very high78 Ų7856 Ų5647%0.47329%0.286SS..Hα-helixtrans-64-46.1-176.8169.90000111.3L137 V138 M144 A145L137-V141 HydrophobicContact CD1-CG2 4.14Å; L137-V141 HydrophobicContact CG-CG2 4.24Å; L137-V141 WeakPolarHBondContact O-CB 3.3Å; L137-V141 VanDerWaalsContact O-CG2 3.31Å; L137-V141 WeakPolarHBondContact O-CG2 3.39Å; L137-V141 PolarHBondContact O-N 3.47Å; V138-V141 PolarHBondContact O-N 3.2Å; V141-M144 PolarHBondContact O-N 3.24Å; V141-A145 WeakPolarHBondContact O-CB 3.45Å; V141-A145 PolarHBondContact O-N 2.82Å
142F96.9Very high95.4Very high26 Ų2656.3 Ų56.311%0.11429%0.291CS..Hα-helixtrans-65.9-42.6177-86.2-86.5000111.9V69 L72 V76 V138 M144 A145 V146 V186V69-F142 HydrophobicContact CB-CD1 4.37Å; V69-F142 HydrophobicContact CG1-CB 4.2Å; V69-F142 HydrophobicContact CG1-CD1 3.94Å; V69-F142 HydrophobicContact CG1-CG 4.38Å; V69-F142 HydrophobicContact CG2-CD1 4.25Å; L72-F142 HydrophobicContact CB-CE1 3.94Å; L72-F142 HydrophobicContact CB-CZ 3.92Å; L72-F142 HydrophobicContact CD2-CE1 3.75Å; L72-F142 HydrophobicContact CD2-CZ 3.67Å; L72-F142 HydrophobicContact CG-CE1 4.03Å; L72-F142 HydrophobicContact CG-CZ 3.66Å; V76-F142 HydrophobicContact CB-CE2 4.18Å; V76-F142 HydrophobicContact CG1-CE2 4.49Å; V76-F142 HydrophobicContact CG2-CE2 3.9Å; V76-F142 HydrophobicContact CG2-CZ 3.96Å; V138-F142 HydrophobicContact CG1-CD2 3.52Å; V138-F142 HydrophobicContact CG1-CE2 3.72Å; V138-F142 WeakPolarHBondContact O-CB 3.48Å; V138-F142 VanDerWaalsContact O-CD2 3.27Å; V138-F142 WeakPolarHBondContact O-CD2 3.02Å; V138-F142 PolarHBondContact O-N 2.95Å; F142-M144 VanDerWaalsContact C-N 3.34Å; F142-M144 PolarHBondContact O-N 2.83Å; F142-A145 PolarHBondContact O-N 3.46Å; F142-V146 VanDerWaalsContact O-CG2 3.28Å; F142-V146 WeakPolarHBondContact O-CG2 3.48Å; F142-V146 PolarHBondContact O-N 2.55Å; F142-V186 HydrophobicContact CB-CG2 3.69Å; F142-V186 HydrophobicContact CG-CG2 4.33Å
143G97.1Very high95.1Very high0 Ų055.9 Ų55.90%029%0.285CS..Hα-helixtrans-57.6-47.3173.800000111.8G139 F140 V146 A147G139-G143 PolarHBondContact O-N 3.3Å; F140-G143 PolarHBondContact O-N 3.47Å; G143-V146 PolarHBondContact O-N 2.7Å; G143-A147 WeakPolarHBondContact O-CB 3.37Å; G143-A147 PolarHBondContact O-N 3.12Å
144M97.2Very high94.7Very high74 Ų7456.3 Ų56.337%0.36529%0.287SS..Hα-helixtrans-64.3-43.3178.2-75.2-55.9-6500112.2F140 V141 F142 V146 A147 L148 F179F140-M144 HydrophobicContact CD1-CG 4.13Å; F140-M144 HydrophobicContact CE1-CG 3.78Å; F140-M144 HydrophobicContact CE2-CG 4.39Å; F140-M144 HydrophobicContact CZ-CG 3.92Å; F140-M144 HydrophobicContact CZ-SD 4.34Å; F140-M144 WeakPolarHBondContact O-CB 3.38Å; F140-M144 VanDerWaalsContact O-CG 3.31Å; F140-M144 WeakPolarHBondContact O-CG 3.42Å; F140-M144 PolarHBondContact O-N 2.95Å; V141-M144 PolarHBondContact O-N 3.24Å; F142-M144 VanDerWaalsContact C-N 3.34Å; F142-M144 PolarHBondContact O-N 2.83Å; M144-V146 PolarHBondContact O-N 2.59Å; M144-A147 PolarHBondContact O-N 3.15Å; M144-L148 WeakPolarHBondContact O-CG 3.33Å; M144-L148 PolarHBondContact O-N 2.96Å; M144-F179 HydrophobicContact CG-CD2 3.99Å; M144-F179 HydrophobicContact CG-CE2 3.83Å; M144-F179 HydrophobicContact SD-CD2 3.63Å; M144-F179 HydrophobicContact SD-CE2 3.86Å
145A97.5Very high94.4Very high43 Ų4359.8 Ų59.836%0.35530%0.303SS..Hα-helixtrans-61.1-45.8177.700000111.5V141 F142 A147 L148 I149V141-A145 WeakPolarHBondContact O-CB 3.45Å; V141-A145 PolarHBondContact O-N 2.82Å; F142-A145 PolarHBondContact O-N 3.46Å; A145-A147 VanDerWaalsContact C-N 3.34Å; A145-A147 PolarHBondContact O-N 3.07Å; A145-L148 PolarHBondContact O-N 3.48Å; A145-I149 WeakPolarHBondContact O-CB 3.45Å; A145-I149 WeakPolarHBondContact O-CD1 3.24Å; A145-I149 VanDerWaalsContact O-CG1 3.25Å; A145-I149 WeakPolarHBondContact O-CG1 3.16Å; A145-I149 PolarHBondContact O-N 2.89Å
146V96.5Very high94Very high35 Ų3553.9 Ų53.921%0.21229%0.287CS..Hα-helixtrans-60-45.9174.8171.20000110.7V69 F142 G143 M144 L148 I149 A150V69-V146 HydrophobicContact CG2-CG2 3.53Å; F142-V146 VanDerWaalsContact O-CG2 3.28Å; F142-V146 WeakPolarHBondContact O-CG2 3.48Å; F142-V146 PolarHBondContact O-N 2.55Å; G143-V146 PolarHBondContact O-N 2.7Å; M144-V146 PolarHBondContact O-N 2.59Å; V146-L148 PolarHBondContact O-N 3.38Å; V146-I149 PolarHBondContact O-N 3.43Å; V146-A150 WeakPolarHBondContact O-CB 3.27Å; V146-A150 PolarHBondContact O-N 2.9Å
147A96.5Very high93.5Very high3 Ų356.4 Ų56.43%0.02530%0.297CS..Hα-helixtrans-58.6-50.2179.700000112.3G143 M144 A145 T151 P175 F178 F179G143-A147 WeakPolarHBondContact O-CB 3.37Å; G143-A147 PolarHBondContact O-N 3.12Å; M144-A147 PolarHBondContact O-N 3.15Å; A145-A147 VanDerWaalsContact C-N 3.34Å; A145-A147 PolarHBondContact O-N 3.07Å; A147-T151 WeakPolarHBondContact O-CB 3.19Å; A147-T151 PolarHBondContact O-N 3.2Å; A147-T151 PolarHBondContact O-OG1 3.33Å; A147-P175 HydrophobicContact CB-CB 4.41Å; A147-P175 WeakPolarHBondContact CB-O 3.42Å; A147-F178 HydrophobicContact CB-CB 4.23Å; A147-F179 HydrophobicContact CB-CB 3.94Å
148L95.8Very high92.9Very high117 Ų11751.7 Ų51.761%0.61327%0.273SS*.Hα-helixtrans-63.4-45.8-179.4-67.7174.6000112M144 A145 V146 F152M144-L148 WeakPolarHBondContact O-CG 3.33Å; M144-L148 PolarHBondContact O-N 2.96Å; A145-L148 PolarHBondContact O-N 3.48Å; V146-L148 PolarHBondContact O-N 3.38Å; L148-F152 VanDerWaalsContact O-CB 3.26Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 PolarHBondContact O-N 3.01Å
149I95.4Very high92.2Very high106 Ų10661.3 Ų61.354%0.54431%0.309SS..Hα-helixtrans-65.6-48.7-179.8-66.4167.7000110.5A145 V146 F152 I153A145-I149 WeakPolarHBondContact O-CB 3.45Å; A145-I149 WeakPolarHBondContact O-CD1 3.24Å; A145-I149 VanDerWaalsContact O-CG1 3.25Å; A145-I149 WeakPolarHBondContact O-CG1 3.16Å; A145-I149 PolarHBondContact O-N 2.89Å; V146-I149 PolarHBondContact O-N 3.43Å; I149-F152 PolarHBondContact O-N 2.86Å; I149-I153 HydrophobicContact CG2-CD1 3.81Å; I149-I153 VanDerWaalsContact O-CG1 3.31Å; I149-I153 WeakPolarHBondContact O-CG1 3.43Å; I149-I153 PolarHBondContact O-N 3Å
150A93.4Very high91.6Very high23 Ų2368.9 Ų68.919%0.1934%0.342CS..Hα-helixtrans-65.5-42.1-178.600000111.7V146 F152 I153 F154 F178V146-A150 WeakPolarHBondContact O-CB 3.27Å; V146-A150 PolarHBondContact O-N 2.9Å; A150-F152 VanDerWaalsContact C-N 3.35Å; A150-F152 PolarHBondContact O-N 3.24Å; A150-I153 PolarHBondContact O-N 3.44Å; A150-F154 WeakPolarHBondContact O-CB 3.49Å; A150-F154 PolarHBondContact O-N 3.47Å; A150-F178 HydrophobicContact CB-CB 4.08Å; A150-F178 HydrophobicContact CB-CD1 3.96Å; A150-F178 HydrophobicContact CB-CD2 3.4Å; A150-F178 HydrophobicContact CB-CE1 4.21Å; A150-F178 HydrophobicContact CB-CE2 3.66Å; A150-F178 HydrophobicContact CB-CG 3.56Å; A150-F178 HydrophobicContact CB-CZ 4.07Å
151T92.2Very high90.6Very high30 Ų3070.1 Ų70.118%0.18435%0.349CS..Hα-helixtrans-62.7-41.4173.7-64.30000111.4A147 F154 Q155 P175A147-T151 WeakPolarHBondContact O-CB 3.19Å; A147-T151 PolarHBondContact O-N 3.2Å; A147-T151 PolarHBondContact O-OG1 3.33Å; T151-F154 PolarHBondContact O-N 3.46Å; T151-Q155 WeakPolarHBondContact O-CB 3.35Å; T151-Q155 PolarHBondContact O-N 2.92Å; T151-P175 HydrophobicContact CG2-CG 3.99Å; T151-P175 WeakPolarHBondContact OG1-CA 3.39Å; T151-P175 WeakPolarHBondContact OG1-CG 3.39Å
152F92Very high89.5Confident145 Ų14569.5 Ų69.564%0.63634%0.342SS*.Hα-helixtrans-63-43.9177.1179-98000112.4L148 I149 A150 Q155 S156L148-F152 VanDerWaalsContact O-CB 3.26Å; L148-F152 WeakPolarHBondContact O-CB 3.49Å; L148-F152 PolarHBondContact O-N 3.01Å; I149-F152 PolarHBondContact O-N 2.86Å; A150-F152 VanDerWaalsContact C-N 3.35Å; A150-F152 PolarHBondContact O-N 3.24Å; F152-Q155 PolarHBondContact O-N 3.33Å; F152-S156 WeakPolarHBondContact O-CB 3.27Å; F152-S156 PolarHBondContact O-N 3.27Å; F152-S156 PolarHBondContact O-OG 3.39Å
153I89.7Confident88.4Confident81 Ų8170.2 Ų70.242%0.41535%0.345SS..Hα-helixtrans-61.2-47.3175.1-68.7167.3000110.1I149 A150 Q155 S156 F157I149-I153 HydrophobicContact CG2-CD1 3.81Å; I149-I153 VanDerWaalsContact O-CG1 3.31Å; I149-I153 WeakPolarHBondContact O-CG1 3.43Å; I149-I153 PolarHBondContact O-N 3Å; A150-I153 PolarHBondContact O-N 3.44Å; I153-Q155 PolarHBondContact O-N 3.48Å; I153-S156 WeakPolarHBondContact O-CB 3.32Å; I153-S156 PolarHBondContact O-N 3.45Å; I153-F157 HydrophobicContact CG2-CD2 4.12Å; I153-F157 HydrophobicContact CG2-CE2 3.57Å; I153-F157 HydrophobicContact CG2-CZ 4.06Å; I153-F157 WeakPolarHBondContact O-CD2 3.19Å; I153-F157 PolarHBondContact O-N 3Å
154F85.6Confident87.3Confident30 Ų3077.2 Ų77.213%0.13237%0.371CS..Hα-helixtrans-62.7-45.2179.9-161-84.7000111.9F41 A150 T151 S156 F157 V158 Y163 F165 L174F41-F154 AromaticContact CD1-CE1 3.95Å; F41-F154 HydrophobicContact CD1-CE1 3.95Å; F41-F154 HydrophobicContact CD1-CE2 4.4Å; F41-F154 AromaticContact CD1-CZ 3.38Å; F41-F154 HydrophobicContact CD1-CZ 3.38Å; F41-F154 AromaticContact CE1-CE1 3.43Å; F41-F154 HydrophobicContact CE1-CE1 3.43Å; F41-F154 VanDerWaalsContact CE1-CE1 3.43Å; F41-F154 HydrophobicContact CE1-CE2 4.16Å; F41-F154 AromaticContact CE1-CZ 3.15Å; F41-F154 HydrophobicContact CE1-CZ 3.15Å; F41-F154 HydrophobicContact CG-CZ 4.28Å; F41-F154 HydrophobicContact CZ-CE1 4.32Å; F41-F154 AromaticContact CZ-CZ 3.95Å; F41-F154 HydrophobicContact CZ-CZ 3.95Å; A150-F154 WeakPolarHBondContact O-CB 3.49Å; A150-F154 PolarHBondContact O-N 3.47Å; T151-F154 PolarHBondContact O-N 3.46Å; F154-S156 VanDerWaalsContact C-N 3.27Å; F154-S156 PolarHBondContact O-N 3.42Å; F154-F157 WeakPolarHBondContact O-CB 3.48Å; F154-F157 PolarHBondContact O-N 3.27Å; F154-F157 VanDerWaalsContact O-N 3.13Å; F154-V158 HydrophobicContact CD1-CG2 3.99Å; F154-V158 HydrophobicContact CE1-CG2 3.77Å; F154-V158 WeakPolarHBondContact O-CG2 3.39Å; F154-V158 PolarHBondContact O-N 3.39Å; F154-Y163 HydrophobicContact CE2-CD2 4.35Å; F154-Y163 HydrophobicContact CZ-CD2 4.3Å; F154-Y163 HydrophobicContact CZ-CG 4.17Å; F154-F165 HydrophobicContact CD1-CE1 4.12Å; F154-F165 AromaticContact CD1-CZ 3.65Å; F154-F165 HydrophobicContact CD1-CZ 3.65Å; F154-F165 HydrophobicContact CE1-CD1 4.49Å; F154-F165 AromaticContact CE1-CE1 3.58Å; F154-F165 HydrophobicContact CE1-CE1 3.58Å; F154-F165 HydrophobicContact CE1-CE2 4.39Å; F154-F165 AromaticContact CE1-CZ 3.5Å; F154-F165 HydrophobicContact CE1-CZ 3.5Å; F154-L174 HydrophobicContact CB-CD2 4Å; F154-L174 HydrophobicContact CD1-CD2 3.41Å; F154-L174 VanDerWaalsContact CD1-CD2 3.41Å; F154-L174 HydrophobicContact CD2-CD2 4.18Å; F154-L174 HydrophobicContact CE1-CD2 3.97Å; F154-L174 HydrophobicContact CG-CD2 3.56Å
155Q87.1Confident86Confident83 Ų8375.5 Ų75.539%0.38836%0.362SS..Hα-helixtrans-62-36.4176.2-171.362.726.700111.7T151 F152 I153 V158 W159T151-Q155 WeakPolarHBondContact O-CB 3.35Å; T151-Q155 PolarHBondContact O-N 2.92Å; F152-Q155 PolarHBondContact O-N 3.33Å; I153-Q155 PolarHBondContact O-N 3.48Å; Q155-V158 PolarHBondContact O-N 2.97Å; Q155-W159 PolarHBondContact O-N 3Å
156S86Confident84.7Confident46 Ų4677.2 Ų77.232%0.32237%0.371SS..Hα-helixtrans-63.1-41.4174.4-61.40000111.5F152 I153 F154 W159 K160F152-S156 WeakPolarHBondContact O-CB 3.27Å; F152-S156 PolarHBondContact O-N 3.27Å; F152-S156 PolarHBondContact O-OG 3.39Å; I153-S156 WeakPolarHBondContact O-CB 3.32Å; I153-S156 PolarHBondContact O-N 3.45Å; F154-S156 VanDerWaalsContact C-N 3.27Å; F154-S156 PolarHBondContact O-N 3.42Å; S156-W159 PolarHBondContact O-N 3.05Å; S156-K160 VanDerWaalsContact O-CG 3.27Å; S156-K160 WeakPolarHBondContact O-CG 3.46Å; S156-K160 PolarHBondContact O-N 2.91Å
157F83.9Confident83.4Confident67 Ų6778.7 Ų78.729%0.29438%0.375SS..Hα-helixtrans-65.5-37.4174.7-66.6-42000113I153 F154 K160 Q161 L162 Y163I153-F157 HydrophobicContact CG2-CD2 4.12Å; I153-F157 HydrophobicContact CG2-CE2 3.57Å; I153-F157 HydrophobicContact CG2-CZ 4.06Å; I153-F157 WeakPolarHBondContact O-CD2 3.19Å; I153-F157 PolarHBondContact O-N 3Å; F154-F157 WeakPolarHBondContact O-CB 3.48Å; F154-F157 PolarHBondContact O-N 3.27Å; F154-F157 VanDerWaalsContact O-N 3.13Å; F157-K160 CarbonylContact O-C 3.56Å; F157-K160 PolarHBondContact O-N 3.11Å; F157-Q161 PolarHBondContact O-N 3.03Å; F157-L162 HydrophobicContact CB-CB 4.3Å; F157-L162 HydrophobicContact CB-CD1 4.47Å; F157-L162 HydrophobicContact CD1-CD1 3.64Å; F157-L162 HydrophobicContact CE1-CD1 4.29Å; F157-L162 HydrophobicContact CG-CD1 4.43Å; F157-L162 PolarHBondContact O-N 3.42Å; F157-Y163 HydrophobicContact CB-CD2 3.74Å; F157-Y163 HydrophobicContact CB-CE2 4.32Å; F157-Y163 HydrophobicContact CD2-CD2 4.37Å; F157-Y163 HydrophobicContact CD2-CE2 4.21Å; F157-Y163 HydrophobicContact CG-CD2 4.37Å; F157-Y163 HydrophobicContact CG-CE2 4.48Å
158V82.3Confident82.1Confident20 Ų2083.3 Ų83.312%0.12141%0.405CS..Hα-helixtrans-65.7-42.2175.1172.40000111.1F154 Q155 K160 Q161 Y163 F165F154-V158 HydrophobicContact CD1-CG2 3.99Å; F154-V158 HydrophobicContact CE1-CG2 3.77Å; F154-V158 WeakPolarHBondContact O-CG2 3.39Å; F154-V158 PolarHBondContact O-N 3.39Å; Q155-V158 PolarHBondContact O-N 2.97Å; V158-K160 VanDerWaalsContact C-N 3.31Å; V158-K160 PolarHBondContact O-N 3.49Å; V158-Q161 WeakPolarHBondContact O-CA 3.2Å; V158-Q161 PolarHBondContact O-N 3.05Å; V158-Q161 PolarHBondContact O-NE2 2.98Å; V158-Y163 WeakPolarHBondContact CA-O 3.33Å; V158-F165 HydrophobicContact CB-CD2 4.45Å; V158-F165 HydrophobicContact CB-CE2 4.09Å; V158-F165 HydrophobicContact CG1-CD2 3.79Å; V158-F165 HydrophobicContact CG1-CE2 3.85Å; V158-F165 HydrophobicContact CG2-CD2 3.92Å; V158-F165 HydrophobicContact CG2-CE2 3.48Å; V158-F165 VanDerWaalsContact CG2-CE2 3.48Å; V158-F165 HydrophobicContact CG2-CZ 3.94Å
159W82.4Confident81Confident208 Ų20882.4 Ų82.479%0.78840%0.399SS*.Hα-helixtrans-59.4-44.8173.8-168-53.2000111.1Q155 S156 Q161Q155-W159 PolarHBondContact O-N 3Å; S156-W159 PolarHBondContact O-N 3.05Å; W159-Q161 PolarHBondContact O-N 3.29Å; W159-Q161 VanDerWaalsContact O-N 3.07Å
160K81.6Confident79.9Confident159 Ų15977.7 Ų77.769%0.69138%0.375SS*.THydrogen-bonded Turntrans-70.76176-64-68.2-175.2-176.30113.7S156 F157 V158 L162S156-K160 VanDerWaalsContact O-CG 3.27Å; S156-K160 WeakPolarHBondContact O-CG 3.46Å; S156-K160 PolarHBondContact O-N 2.91Å; F157-K160 CarbonylContact O-C 3.56Å; F157-K160 PolarHBondContact O-N 3.11Å; V158-K160 VanDerWaalsContact C-N 3.31Å; V158-K160 PolarHBondContact O-N 3.49Å; K160-L162 HydrophobicContact CB-CD1 4.12Å; K160-L162 HydrophobicContact CB-CG 4.11Å; K160-L162 PolarHBondContact O-N 3.4Å
161Q77.1Confident79.2Confident99 Ų9977.7 Ų77.746%0.46338%0.375SS..THydrogen-bonded Turntrans60.519.2-179.9-61.1-66.2-53.800114.4S44 F157 V158 W159S44-Q161 VanDerWaalsContact CB-O 3.25Å; S44-Q161 WeakPolarHBondContact CB-O 3.36Å; S44-Q161 PolarHBondContact OG-O 3.46Å; S44-Q161 VanDerWaalsContact OG-O 3.05Å; F157-Q161 PolarHBondContact O-N 3.03Å; V158-Q161 WeakPolarHBondContact O-CA 3.2Å; V158-Q161 PolarHBondContact O-N 3.05Å; V158-Q161 PolarHBondContact O-NE2 2.98Å; W159-Q161 PolarHBondContact O-N 3.29Å; W159-Q161 VanDerWaalsContact O-N 3.07Å
162L74.2Confident78.8Confident64 Ų6478.3 Ų78.334%0.33538%0.383SS..SBendtrans-75.1-36.6176.9-62.7170.7000110.7S44 I46 F157 K160S44-L162 PolarHBondContact N-O 3.42Å; S44-L162 VanDerWaalsContact N-O 3.16Å; S44-L162 PolarHBondContact OG-O 3.31Å; S44-L162 VanDerWaalsContact OG-O 3.13Å; I46-L162 HydrophobicContact CD1-CB 4.44Å; I46-L162 HydrophobicContact CD1-CD2 3.41Å; I46-L162 VanDerWaalsContact CD1-CD2 3.41Å; F157-L162 HydrophobicContact CB-CB 4.3Å; F157-L162 HydrophobicContact CB-CD1 4.47Å; F157-L162 HydrophobicContact CD1-CD1 3.64Å; F157-L162 HydrophobicContact CE1-CD1 4.29Å; F157-L162 HydrophobicContact CG-CD1 4.43Å; F157-L162 PolarHBondContact O-N 3.42Å; K160-L162 HydrophobicContact CB-CD1 4.12Å; K160-L162 HydrophobicContact CB-CG 4.11Å; K160-L162 PolarHBondContact O-N 3.4Å
163Y73.3Confident78.6Confident42 Ų4271.5 Ų71.517%0.16535%0.353CS..EExtended strand (participates in β ladder)trans-120.2147.1172-71.3-71.8000111.2F41 I58 F154 F157 V158F41-Y163 HydrophobicContact CB-CD1 4.47Å; I58-Y163 HydrophobicContact CD1-CE2 4.46Å; I58-Y163 WeakPolarHBondContact CD1-OH 3.26Å; F154-Y163 HydrophobicContact CE2-CD2 4.35Å; F154-Y163 HydrophobicContact CZ-CD2 4.3Å; F154-Y163 HydrophobicContact CZ-CG 4.17Å; F157-Y163 HydrophobicContact CB-CD2 3.74Å; F157-Y163 HydrophobicContact CB-CE2 4.32Å; F157-Y163 HydrophobicContact CD2-CD2 4.37Å; F157-Y163 HydrophobicContact CD2-CE2 4.21Å; F157-Y163 HydrophobicContact CG-CD2 4.37Å; F157-Y163 HydrophobicContact CG-CE2 4.48Å; V158-Y163 WeakPolarHBondContact CA-O 3.33Å
164R72.7Confident78.4Confident147 Ų14768 Ų6856%0.55534%0.335SS*.EExtended strand (participates in β ladder)trans-119.4132.5167.4-73.5-176-179170.42.2110.4T42T42-R164 PolarHBondContact O-N 3.42Å
165F70.8Confident78.8Confident38 Ų3868.5 Ų68.517%0.16734%0.341CS..EExtended strand (participates in β ladder)trans-78.3139166.1-66.6-69000109.6F41 F154 V158 H167 M170 A171 L174F41-F165 HydrophobicContact CD1-CD1 4.43Å; F41-F165 AromaticContact CE1-CD1 3.82Å; F41-F165 HydrophobicContact CE1-CD1 3.82Å; F41-F165 AromaticContact CE1-CE1 3.59Å; F41-F165 HydrophobicContact CE1-CE1 3.59Å; F41-F165 HydrophobicContact CZ-CE1 4.36Å; F154-F165 HydrophobicContact CD1-CE1 4.12Å; F154-F165 AromaticContact CD1-CZ 3.65Å; F154-F165 HydrophobicContact CD1-CZ 3.65Å; F154-F165 HydrophobicContact CE1-CD1 4.49Å; F154-F165 AromaticContact CE1-CE1 3.58Å; F154-F165 HydrophobicContact CE1-CE1 3.58Å; F154-F165 HydrophobicContact CE1-CE2 4.39Å; F154-F165 AromaticContact CE1-CZ 3.5Å; F154-F165 HydrophobicContact CE1-CZ 3.5Å; V158-F165 HydrophobicContact CB-CD2 4.45Å; V158-F165 HydrophobicContact CB-CE2 4.09Å; V158-F165 HydrophobicContact CG1-CD2 3.79Å; V158-F165 HydrophobicContact CG1-CE2 3.85Å; V158-F165 HydrophobicContact CG2-CD2 3.92Å; V158-F165 HydrophobicContact CG2-CE2 3.48Å; V158-F165 VanDerWaalsContact CG2-CE2 3.48Å; V158-F165 HydrophobicContact CG2-CZ 3.94Å; F165-H167 PolarHBondContact O-N 3.07Å; F165-M170 HydrophobicContact CD1-CB 3.94Å; F165-A171 HydrophobicContact CD2-CB 4.31Å; F165-A171 HydrophobicContact CE1-CB 4.16Å; F165-A171 HydrophobicContact CE2-CB 3.68Å; F165-A171 HydrophobicContact CZ-CB 3.6Å; F165-L174 HydrophobicContact CE1-CD2 4.48Å; F165-L174 HydrophobicContact CZ-CD2 4.46Å
166S70.6Confident79.1Confident78 Ų7865 Ų6555%0.54533%0.325SS..SBendtrans-64.6-30.1170.3-57.30000112.7
167H69.7Low79.4Confident66 Ų6663.1 Ų63.131%0.30631%0.312SS..SBendtrans-149141176.2-171.2-90.1000110.2Y115 F165 M169 M170Y115-H167 HydrophobicContact CD2-CB 4.39Å; Y115-H167 AromaticContact CD2-CD2 3.94Å; Y115-H167 AromaticContact CD2-CE1 3.42Å; Y115-H167 VanDerWaalsContact CD2-CE1 3.42Å; Y115-H167 WeakPolarHBondContact CD2-CE1 3.43Å; Y115-H167 AromaticContact CD2-CG 3.65Å; Y115-H167 AromaticContact CD2-ND1 3.29Å; Y115-H167 VanDerWaalsContact CD2-ND1 3.29Å; Y115-H167 WeakPolarHBondContact CD2-ND1 3.29Å; Y115-H167 AromaticContact CD2-NE2 3.82Å; Y115-H167 HydrophobicContact CE1-CB 4.05Å; Y115-H167 HydrophobicContact CE2-CB 3.78Å; Y115-H167 AromaticContact CE2-CD2 3.48Å; Y115-H167 VanDerWaalsContact CE2-CD2 3.48Å; Y115-H167 WeakPolarHBondContact CE2-CD2 3.4Å; Y115-H167 AromaticContact CE2-CE1 3.79Å; Y115-H167 AromaticContact CE2-CG 3.3Å; Y115-H167 AromaticContact CE2-ND1 3.5Å; Y115-H167 AromaticContact CE2-NE2 3.8Å; Y115-H167 AromaticContact CG-ND1 3.71Å; Y115-H167 AromaticContact CZ-CG 3.68Å; F165-H167 PolarHBondContact O-N 3.07Å; H167-M169 WeakPolarHBondContact ND1-CB 3.34Å; H167-M169 PolarHBondContact ND1-N 3.49Å; H167-M169 PolarHBondContact O-N 3.02Å; H167-M170 HydrophobicContact CB-CG 4.25Å; H167-M170 VanDerWaalsContact O-CB 3.25Å; H167-M170 WeakPolarHBondContact O-CB 3.43Å; H167-M170 WeakPolarHBondContact O-CG 3.44Å; H167-M170 PolarHBondContact O-N 2.95Å
168P68.9Low79.9Confident101 Ų10162.7 Ų62.766%0.65631%0.31SS*.THydrogen-bonded Turntrans-58.4-33.4-175.921.1-34000113.8M170 A171P168-M170 PolarHBondContact O-N 3.48Å; P168-A171 WeakPolarHBondContact O-CB 3.42Å; P168-A171 PolarHBondContact O-N 3.49Å; P168-A171 VanDerWaalsContact O-N 3.15Å
169M72.9Confident80.6Confident98 Ų9862.1 Ų62.148%0.48331%0.306SS..THydrogen-bonded Turntrans-68.3-10.8176.5-67-71170.900113.9Y115 H167 A171 A172Y115-M169 VanDerWaalsContact CB-CB 3.42Å; Y115-M169 HydrophobicContact CG-CB 4.03Å; H167-M169 WeakPolarHBondContact ND1-CB 3.34Å; H167-M169 PolarHBondContact ND1-N 3.49Å; H167-M169 PolarHBondContact O-N 3.02Å; M169-A171 PolarHBondContact O-N 3.14Å; M169-A172 WeakPolarHBondContact O-CB 3.24Å; M169-A172 PolarHBondContact O-N 3.22Å; M169-A172 VanDerWaalsContact O-N 3.15Å
170M70.9Confident81.2Confident7 Ų752.3 Ų52.33%0.03427%0.269CS..Hα-helixtrans-64.8-28.7170.9-66-57.5-148.500112E40 Y115 L118 F165 H167 P168 A172 W173E40-M170 HydrophobicContact CG-CE 4.02Å; E40-M170 WeakPolarHBondContact OE1-CE 3.5Å; Y115-M170 HydrophobicContact CD1-CE 4.25Å; Y115-M170 HydrophobicContact CD1-SD 3.81Å; Y115-M170 HydrophobicContact CE1-CE 3.52Å; Y115-M170 HydrophobicContact CE1-CG 4.32Å; Y115-M170 HydrophobicContact CE1-SD 3.66Å; L118-M170 HydrophobicContact CD2-SD 4.04Å; F165-M170 HydrophobicContact CD1-CB 3.94Å; H167-M170 HydrophobicContact CB-CG 4.25Å; H167-M170 VanDerWaalsContact O-CB 3.25Å; H167-M170 WeakPolarHBondContact O-CB 3.43Å; H167-M170 WeakPolarHBondContact O-CG 3.44Å; H167-M170 PolarHBondContact O-N 2.95Å; P168-M170 PolarHBondContact O-N 3.48Å; M170-A172 PolarHBondContact O-N 2.92Å; M170-W173 PolarHBondContact O-NE1 3.03Å; M170-W173 VanDerWaalsContact O-NE1 3.11Å; M170-W173 PolarHBondContact SD-NE1 3.14Å; M170-W173 VanDerWaalsContact SD-NE1 3.37Å
171A79.7Confident81.9Confident23 Ų2345.3 Ų45.319%0.1924%0.242CC..Hα-helixtrans-67.4-25.1175.100000112.5F165 P168 M169 W173 P175F165-A171 HydrophobicContact CD2-CB 4.31Å; F165-A171 HydrophobicContact CE1-CB 4.16Å; F165-A171 HydrophobicContact CE2-CB 3.68Å; F165-A171 HydrophobicContact CZ-CB 3.6Å; P168-A171 WeakPolarHBondContact O-CB 3.42Å; P168-A171 PolarHBondContact O-N 3.49Å; P168-A171 VanDerWaalsContact O-N 3.15Å; M169-A171 PolarHBondContact O-N 3.14Å; A171-W173 PolarHBondContact O-N 3.18Å; A171-P175 VanDerWaalsContact O-CD 3.26Å; A171-P175 WeakPolarHBondContact O-CD 3.32Å
172A84Confident82.9Confident43 Ų4340.8 Ų40.836%0.35522%0.222SC..Hα-helixtrans-72.4-26.5-172.400000113.6M169 M170M169-A172 WeakPolarHBondContact O-CB 3.24Å; M169-A172 PolarHBondContact O-N 3.22Å; M169-A172 VanDerWaalsContact O-N 3.15Å; M170-A172 PolarHBondContact O-N 2.92Å
173W86.3Confident84Confident2 Ų237.8 Ų37.81%0.00821%0.206CC..Hα-helixtrans-100.3-15.2-179.468.1-93.4000113.3H35 E40 T107 L118 A122 M170 A171 P175 C176 L177H35-W173 AromaticContact NE2-CH2 3.76Å; E40-W173 WeakPolarHBondContact OE2-CZ2 3.3Å; T107-W173 HydrophobicContact CG2-CE3 4.15Å; T107-W173 HydrophobicContact CG2-CZ3 3.95Å; T107-W173 WeakPolarHBondContact OG1-CZ3 3.49Å; L118-W173 HydrophobicContact CD2-CG 4.37Å; L118-W173 HydrophobicContact CG-CG 4.29Å; A122-W173 HydrophobicContact CB-CB 3.76Å; M170-W173 PolarHBondContact O-NE1 3.03Å; M170-W173 VanDerWaalsContact O-NE1 3.11Å; M170-W173 PolarHBondContact SD-NE1 3.14Å; M170-W173 VanDerWaalsContact SD-NE1 3.37Å; A171-W173 PolarHBondContact O-N 3.18Å; W173-P175 VanDerWaalsContact C-CD 3.43Å; W173-C176 WeakPolarHBondContact O-CA 3.47Å; W173-C176 WeakPolarHBondContact O-CB 3.1Å; W173-C176 PolarHBondContact O-N 2.93Å; W173-L177 HydrophobicContact CE3-CD1 3.85Å; W173-L177 HydrophobicContact CE3-CG 3.86Å; W173-L177 HydrophobicContact CH2-CD1 3.65Å; W173-L177 HydrophobicContact CH2-CG 4.46Å; W173-L177 HydrophobicContact CZ3-CD1 3.09Å; W173-L177 HydrophobicContact CZ3-CD2 4Å; W173-L177 HydrophobicContact CZ3-CG 3.45Å; W173-L177 VanDerWaalsContact CZ3-CG 3.45Å
174L86.9Confident85.2Confident7 Ų735.8 Ų35.84%0.03720%0.198CC..Hα-helixtrans-55.2-39.8177.3-168.365.7000114.3F41 F154 F165 C176 L177 F178F41-L174 HydrophobicContact CZ-CD1 4.17Å; F154-L174 HydrophobicContact CB-CD2 4Å; F154-L174 HydrophobicContact CD1-CD2 3.41Å; F154-L174 VanDerWaalsContact CD1-CD2 3.41Å; F154-L174 HydrophobicContact CD2-CD2 4.18Å; F154-L174 HydrophobicContact CE1-CD2 3.97Å; F154-L174 HydrophobicContact CG-CD2 3.56Å; F165-L174 HydrophobicContact CE1-CD2 4.48Å; F165-L174 HydrophobicContact CZ-CD2 4.46Å; L174-C176 PolarHBondContact O-N 2.88Å; L174-L177 HydrophobicContact CD1-CD1 4.06Å; L174-L177 WeakPolarHBondContact O-CB 3.35Å; L174-L177 PolarHBondContact O-N 3.46Å; L174-F178 HydrophobicContact CD1-CE2 4.09Å; L174-F178 HydrophobicContact CD1-CZ 3.96Å; L174-F178 HydrophobicContact CD2-CE2 3.78Å; L174-F178 HydrophobicContact CD2-CZ 4.12Å; L174-F178 HydrophobicContact CG-CD2 4.14Å; L174-F178 HydrophobicContact CG-CE2 3.51Å; L174-F178 HydrophobicContact CG-CZ 3.89Å; L174-F178 WeakPolarHBondContact O-CD2 3.39Å; L174-F178 PolarHBondContact O-N 3.34Å
175P92.8Very high86.4Confident40 Ų4029.4 Ų29.426%0.2618%0.175SC..Hα-helixtrans-57.2-32.4172.2-20.928.5000113.3A147 T151 A171 W173 F178 F179A147-P175 HydrophobicContact CB-CB 4.41Å; A147-P175 WeakPolarHBondContact CB-O 3.42Å; T151-P175 HydrophobicContact CG2-CG 3.99Å; T151-P175 WeakPolarHBondContact OG1-CA 3.39Å; T151-P175 WeakPolarHBondContact OG1-CG 3.39Å; A171-P175 VanDerWaalsContact O-CD 3.26Å; A171-P175 WeakPolarHBondContact O-CD 3.32Å; W173-P175 VanDerWaalsContact C-CD 3.43Å; P175-F178 PolarHBondContact O-N 3.46Å; P175-F179 VanDerWaalsContact O-CB 3.28Å; P175-F179 WeakPolarHBondContact O-CB 3.37Å; P175-F179 PolarHBondContact O-N 3.37Å
176C93.9Very high87.6Confident9 Ų927.6 Ų27.66%0.06117%0.168CC..Hα-helixtrans-69-36.6-178.5-54.10000111.5F103 A122 I123 W173 L174 S180F103-C176 HydrophobicContact CZ-CB 4.43Å; A122-C176 HydrophobicContact CB-CB 4.04Å; I123-C176 WeakPolarHBondContact CG1-SG 3.34Å; W173-C176 WeakPolarHBondContact O-CA 3.47Å; W173-C176 WeakPolarHBondContact O-CB 3.1Å; W173-C176 PolarHBondContact O-N 2.93Å; L174-C176 PolarHBondContact O-N 2.88Å; C176-S180 WeakPolarHBondContact O-CB 3.46Å; C176-S180 PolarHBondContact O-N 2.96Å; C176-S180 PolarHBondContact O-OG 2.87Å
177L91.6Very high88.9Confident8 Ų824 Ų244%0.04214%0.142CC..Hα-helixtrans-63.1-51.2171.6-75.2176.3000111.1F100 F103 S104 W173 L174 F179 S180 G181F100-L177 HydrophobicContact CE2-CD2 4.31Å; F100-L177 WeakPolarHBondContact CE2-O 3.5Å; F103-L177 HydrophobicContact CD1-CD2 3.87Å; F103-L177 HydrophobicContact CE1-CD2 3.53Å; F103-L177 HydrophobicContact CE1-CG 4.2Å; F103-L177 HydrophobicContact CZ-CD2 4.17Å; S104-L177 VanDerWaalsContact OG-CD2 3.3Å; S104-L177 WeakPolarHBondContact OG-CD2 3.45Å; W173-L177 HydrophobicContact CE3-CD1 3.85Å; W173-L177 HydrophobicContact CE3-CG 3.86Å; W173-L177 HydrophobicContact CH2-CD1 3.65Å; W173-L177 HydrophobicContact CH2-CG 4.46Å; W173-L177 HydrophobicContact CZ3-CD1 3.09Å; W173-L177 HydrophobicContact CZ3-CD2 4Å; W173-L177 HydrophobicContact CZ3-CG 3.45Å; W173-L177 VanDerWaalsContact CZ3-CG 3.45Å; L174-L177 HydrophobicContact CD1-CD1 4.06Å; L174-L177 WeakPolarHBondContact O-CB 3.35Å; L174-L177 PolarHBondContact O-N 3.46Å; L177-F179 VanDerWaalsContact C-N 3.32Å; L177-F179 PolarHBondContact O-N 3.45Å; L177-S180 PolarHBondContact O-N 3.26Å; L177-G181 PolarHBondContact O-N 3.46Å
178F94.6Very high90.2Very high58 Ų5821.4 Ų21.425%0.25413%0.131SC..Hα-helixtrans-64.2-38.2-178.5-64.8-39.2000112.4A147 A150 L174 P175 G182A147-F178 HydrophobicContact CB-CB 4.23Å; A150-F178 HydrophobicContact CB-CB 4.08Å; A150-F178 HydrophobicContact CB-CD1 3.96Å; A150-F178 HydrophobicContact CB-CD2 3.4Å; A150-F178 HydrophobicContact CB-CE1 4.21Å; A150-F178 HydrophobicContact CB-CE2 3.66Å; A150-F178 HydrophobicContact CB-CG 3.56Å; A150-F178 HydrophobicContact CB-CZ 4.07Å; L174-F178 HydrophobicContact CD1-CE2 4.09Å; L174-F178 HydrophobicContact CD1-CZ 3.96Å; L174-F178 HydrophobicContact CD2-CE2 3.78Å; L174-F178 HydrophobicContact CD2-CZ 4.12Å; L174-F178 HydrophobicContact CG-CD2 4.14Å; L174-F178 HydrophobicContact CG-CE2 3.51Å; L174-F178 HydrophobicContact CG-CZ 3.89Å; L174-F178 WeakPolarHBondContact O-CD2 3.39Å; L174-F178 PolarHBondContact O-N 3.34Å; P175-F178 PolarHBondContact O-N 3.46Å; F178-G182 PolarHBondContact O-N 2.9Å
179F97.1Very high91.5Very high7 Ų716.6 Ų16.63%0.03110%0.099CC..Hα-helixtrans-58-52.1171.8175.7-93.5000111S126 W130 F140 M144 A147 P175 L177 G181 G182 V183S126-F179 WeakPolarHBondContact O-CE1 3.41Å; W130-F179 HydrophobicContact CB-CE1 3.73Å; W130-F179 HydrophobicContact CB-CZ 3.83Å; W130-F179 HydrophobicContact CG-CE1 4.44Å; W130-F179 HydrophobicContact CG-CZ 4.06Å; F140-F179 AromaticContact CD2-CE2 3.99Å; F140-F179 HydrophobicContact CD2-CE2 3.99Å; F140-F179 AromaticContact CD2-CZ 3.84Å; F140-F179 HydrophobicContact CD2-CZ 3.84Å; F140-F179 HydrophobicContact CE2-CE2 4.22Å; F140-F179 HydrophobicContact CE2-CZ 4.17Å; M144-F179 HydrophobicContact CG-CD2 3.99Å; M144-F179 HydrophobicContact CG-CE2 3.83Å; M144-F179 HydrophobicContact SD-CD2 3.63Å; M144-F179 HydrophobicContact SD-CE2 3.86Å; A147-F179 HydrophobicContact CB-CB 3.94Å; P175-F179 VanDerWaalsContact O-CB 3.28Å; P175-F179 WeakPolarHBondContact O-CB 3.37Å; P175-F179 PolarHBondContact O-N 3.37Å; L177-F179 VanDerWaalsContact C-N 3.32Å; L177-F179 PolarHBondContact O-N 3.45Å; F179-G181 PolarHBondContact O-N 3.3Å; F179-G182 PolarHBondContact O-N 3.1Å; F179-G182 VanDerWaalsContact O-N 3.16Å; F179-V183 HydrophobicContact CD1-CG2 4.26Å; F179-V183 HydrophobicContact CE1-CG2 3.84Å; F179-V183 HydrophobicContact CE2-CG2 4.36Å; F179-V183 HydrophobicContact CZ-CG2 3.88Å; F179-V183 WeakPolarHBondContact O-CG2 3.45Å; F179-V183 PolarHBondContact O-N 3.41Å
180S96.6Very high92.6Very high2 Ų212 Ų121%0.0148%0.077CC..Hα-helixtrans-62.1-43.4-178.2-56.80000111.9S126 C176 L177 V183 V184S126-S180 WeakPolarHBondContact CB-OG 3.47Å; C176-S180 WeakPolarHBondContact O-CB 3.46Å; C176-S180 PolarHBondContact O-N 2.96Å; C176-S180 PolarHBondContact O-OG 2.87Å; L177-S180 PolarHBondContact O-N 3.26Å; S180-V183 PolarHBondContact O-N 3.38Å; S180-V184 WeakPolarHBondContact O-CG2 3.35Å; S180-V184 PolarHBondContact O-N 2.91Å; S180-V184 VanDerWaalsContact O-N 3.09Å
181G96.1Very high93.8Very high12 Ų1212 Ų1212%0.1248%0.077CC..Hα-helixtrans-61.2-43.1173.700000112.3L177 F179 V183 V184 I185L177-G181 PolarHBondContact O-N 3.46Å; F179-G181 PolarHBondContact O-N 3.3Å; G181-V183 PolarHBondContact O-N 2.89Å; G181-V184 PolarHBondContact O-N 2.87Å; G181-I185 WeakPolarHBondContact O-CG1 3.4Å; G181-I185 PolarHBondContact O-N 3.31Å
182G97.1Very high94.5Very high4 Ų412.2 Ų12.24%0.0418%0.075CC..Hα-helixtrans-58.4-44.4174.900000112.8F178 F179 V184 I185 V186F178-G182 PolarHBondContact O-N 2.9Å; F179-G182 PolarHBondContact O-N 3.1Å; F179-G182 VanDerWaalsContact O-N 3.16Å; G182-V184 PolarHBondContact O-N 3.13Å; G182-I185 PolarHBondContact O-N 3.08Å; G182-V186 WeakPolarHBondContact O-CG2 3.05Å; G182-V186 PolarHBondContact O-N 3.45Å
183V97.3Very high95Very high1 Ų110.2 Ų10.21%0.0066%0.058CC..Hα-helixtrans-60.8-43.2175.8172.10000111.4W130 D134 F179 S180 G181 I185 V186 L187W130-V183 HydrophobicContact CB-CG1 4.49Å; W130-V183 HydrophobicContact CB-CG2 4.2Å; D134-V183 HydrophobicContact CB-CG1 4Å; F179-V183 HydrophobicContact CD1-CG2 4.26Å; F179-V183 HydrophobicContact CE1-CG2 3.84Å; F179-V183 HydrophobicContact CE2-CG2 4.36Å; F179-V183 HydrophobicContact CZ-CG2 3.88Å; F179-V183 WeakPolarHBondContact O-CG2 3.45Å; F179-V183 PolarHBondContact O-N 3.41Å; S180-V183 PolarHBondContact O-N 3.38Å; G181-V183 PolarHBondContact O-N 2.89Å; V183-I185 PolarHBondContact O-N 3.32Å; V183-V186 PolarHBondContact O-N 3.18Å; V183-L187 HydrophobicContact CG1-CD1 4.37Å; V183-L187 WeakPolarHBondContact O-CG 3.48Å; V183-L187 PolarHBondContact O-N 2.95Å
184V97.6Very high95.3Very high0 Ų012.8 Ų12.80%07%0.069CC..Hα-helixtrans-60.5-45.7176.5174.70000111.2F27 C96 S97 F100 S180 G181 G182 V186 L187 V188F27-V184 HydrophobicContact CE2-CB 4.11Å; F27-V184 HydrophobicContact CE2-CG1 3.51Å; F27-V184 HydrophobicContact CZ-CG1 3.68Å; C96-V184 HydrophobicContact CB-CG2 4.42Å; S97-V184 WeakPolarHBondContact OG-CG1 3.33Å; F100-V184 HydrophobicContact CB-CG2 4.14Å; S180-V184 WeakPolarHBondContact O-CG2 3.35Å; S180-V184 PolarHBondContact O-N 2.91Å; S180-V184 VanDerWaalsContact O-N 3.09Å; G181-V184 PolarHBondContact O-N 2.87Å; G182-V184 PolarHBondContact O-N 3.13Å; V184-V186 VanDerWaalsContact C-N 3.33Å; V184-V186 PolarHBondContact O-N 2.84Å; V184-L187 WeakPolarHBondContact O-CB 3.47Å; V184-L187 PolarHBondContact O-N 3.46Å; V184-V188 HydrophobicContact CG1-CG2 4.41Å; V184-V188 WeakPolarHBondContact O-CG2 3.22Å; V184-V188 PolarHBondContact O-N 3.21Å
185I97.9Very high95.5Very high14 Ų1416.7 Ų16.77%0.07210%0.095CC..Hα-helixtrans-62.7-39.1177.5-65.7-49.7000111.8L20 L23 F27 S66 V69 G181 G182 V183 L187 V188 G189L20-I185 HydrophobicContact CD2-CG2 4.4Å; L23-I185 HydrophobicContact CD2-CD1 4.02Å; L23-I185 HydrophobicContact CG-CD1 4.37Å; F27-I185 HydrophobicContact CD2-CD1 4.46Å; S66-I185 WeakPolarHBondContact O-CG2 3.42Å; S66-I185 WeakPolarHBondContact OG-CD1 3.37Å; V69-I185 HydrophobicContact CB-CG2 4.05Å; V69-I185 HydrophobicContact CG1-CG2 4.01Å; G181-I185 WeakPolarHBondContact O-CG1 3.4Å; G181-I185 PolarHBondContact O-N 3.31Å; G182-I185 PolarHBondContact O-N 3.08Å; V183-I185 PolarHBondContact O-N 3.32Å; I185-L187 VanDerWaalsContact C-N 3.35Å; I185-L187 PolarHBondContact O-N 3.31Å; I185-V188 PolarHBondContact O-N 2.97Å; I185-G189 PolarHBondContact O-N 3Å
186V97.6Very high95.3Very high0 Ų017.9 Ų17.90%010%0.099CC..Hα-helixtrans-60.1-46174169.30000111V69 F142 G182 V183 V184 V188 G189 R190V69-V186 HydrophobicContact CG1-CG2 3.47Å; V69-V186 VanDerWaalsContact CG1-CG2 3.47Å; F142-V186 HydrophobicContact CB-CG2 3.69Å; F142-V186 HydrophobicContact CG-CG2 4.33Å; G182-V186 WeakPolarHBondContact O-CG2 3.05Å; G182-V186 PolarHBondContact O-N 3.45Å; V183-V186 PolarHBondContact O-N 3.18Å; V184-V186 VanDerWaalsContact C-N 3.33Å; V184-V186 PolarHBondContact O-N 2.84Å; V186-V188 PolarHBondContact O-N 3.38Å; V186-G189 PolarHBondContact O-N 3.44Å; V186-R190 WeakPolarHBondContact O-CG 3.48Å; V186-R190 PolarHBondContact O-N 2.93Å
187L97Very high95Very high3 Ų318.4 Ų18.42%0.01610%0.102CC..Hα-helixtrans-60.3-45.2177.7-72.5173.5000111.7V93 C96 F133 D134 V183 V184 I185 R190 Q191V93-L187 HydrophobicContact CG1-CB 4.36Å; V93-L187 HydrophobicContact CG2-CB 4.04Å; C96-L187 HydrophobicContact CB-CD1 3.95Å; F133-L187 HydrophobicContact CB-CD1 3.91Å; D134-L187 HydrophobicContact CB-CD2 4.05Å; D134-L187 HydrophobicContact CB-CG 4.46Å; V183-L187 HydrophobicContact CG1-CD1 4.37Å; V183-L187 WeakPolarHBondContact O-CG 3.48Å; V183-L187 PolarHBondContact O-N 2.95Å; V184-L187 WeakPolarHBondContact O-CB 3.47Å; V184-L187 PolarHBondContact O-N 3.46Å; I185-L187 VanDerWaalsContact C-N 3.35Å; I185-L187 PolarHBondContact O-N 3.31Å; L187-R190 PolarHBondContact O-N 3.31Å; L187-Q191 WeakPolarHBondContact O-CG 3.46Å; L187-Q191 PolarHBondContact O-N 3.16Å
188V97.5Very high94.8Very high10 Ų1020.7 Ų20.76%0.06111%0.113CC..Hα-helixtrans-61.4-47.8175.5175.20000110.8L20 L23 W90 V93 V184 I185 V186 R190 Q191 L192L20-V188 HydrophobicContact CD2-CB 4.47Å; L20-V188 HydrophobicContact CD2-CG1 3.95Å; L23-V188 HydrophobicContact CD2-CB 4.13Å; L23-V188 HydrophobicContact CD2-CG1 3.69Å; L23-V188 HydrophobicContact CD2-CG2 3.77Å; W90-V188 HydrophobicContact CH2-CG1 4.38Å; V93-V188 HydrophobicContact CG1-CB 4.48Å; V93-V188 HydrophobicContact CG1-CG2 3.45Å; V93-V188 VanDerWaalsContact CG1-CG2 3.45Å; V184-V188 HydrophobicContact CG1-CG2 4.41Å; V184-V188 WeakPolarHBondContact O-CG2 3.22Å; V184-V188 PolarHBondContact O-N 3.21Å; I185-V188 PolarHBondContact O-N 2.97Å; V186-V188 PolarHBondContact O-N 3.38Å; V188-R190 VanDerWaalsContact C-N 3.25Å; V188-R190 PolarHBondContact O-N 3.44Å; V188-Q191 PolarHBondContact O-N 3.43Å; V188-Q191 VanDerWaalsContact O-N 3.11Å; V188-L192 HydrophobicContact CG1-CD1 3.91Å; V188-L192 HydrophobicContact CG1-CG 4.23Å; V188-L192 WeakPolarHBondContact O-CG 3.34Å; V188-L192 PolarHBondContact O-N 2.97Å
189G96.9Very high94.4Very high0 Ų020 Ų200%012%0.118CC..Hα-helixtrans-55.7-40.4179.100000112.8G70 I185 V186 A193G70-G189 VanDerWaalsContact O-CA 3.26Å; G70-G189 WeakPolarHBondContact O-CA 3.36Å; I185-G189 PolarHBondContact O-N 3Å; V186-G189 PolarHBondContact O-N 3.44Å; G189-A193 WeakPolarHBondContact O-CB 3.29Å; G189-A193 PolarHBondContact O-N 3.21Å
190R95.8Very high93.7Very high1 Ų124.5 Ų24.50%0.00414%0.142CC..Hα-helixtrans-68.4-43.7174.2-73174.7179.2160.9-1113.3D77 Y86 D134 S136 V186 L187 V188 L192 A193 K194D77-R190 IonicContact OD1-CZ 2.55Å; D77-R190 IonicContact OD1-NE 3.3Å; D77-R190 IonicContact OD1-NH2 2.7Å; D77-R190 PolarHBondContact OD1-NH2 2.99Å; D77-R190 IonicContact OD2-CZ 3.93Å; D77-R190 IonicContact OD2-NE 2.83Å; D77-R190 PolarHBondContact OD2-NE 3.38Å; D77-R190 IonicContact OD2-NH2 2.71Å; D77-R190 PolarHBondContact OD2-NH2 3.28Å; Y86-R190 HydrophobicContact CD1-CB 4.42Å; Y86-R190 HydrophobicContact CE1-CB 4.05Å; Y86-R190 HydrophobicContact CE1-CG 4.31Å; Y86-R190 WeakPolarHBondContact CE1-O 3.26Å; D134-R190 IonicContact OD1-CZ 2.88Å; D134-R190 IonicContact OD1-NH1 3.58Å; D134-R190 PolarHBondContact OD1-NH1 3.07Å; D134-R190 IonicContact OD2-NH1 3.68Å; S136-R190 PolarHBondContact OG-NH1 3.06Å; S136-R190 PolarHBondContact OG-NH2 2.99Å; V186-R190 WeakPolarHBondContact O-CG 3.48Å; V186-R190 PolarHBondContact O-N 2.93Å; L187-R190 PolarHBondContact O-N 3.31Å; V188-R190 VanDerWaalsContact C-N 3.25Å; V188-R190 PolarHBondContact O-N 3.44Å; R190-L192 VanDerWaalsContact C-N 3.27Å; R190-L192 PolarHBondContact O-N 3.07Å; R190-A193 CarbonylContact O-C 3.52Å; R190-A193 PolarHBondContact O-N 3.3Å; R190-A193 VanDerWaalsContact O-N 3.08Å; R190-K194 PolarHBondContact O-N 2.92Å
191Q95.3Very high93Very high8 Ų826.9 Ų26.94%0.03715%0.154CC..Hα-helixtrans-62.2-38.7176.8-68.8-54.2-39.600111.7K88 W90 V93 L187 V188 A193 K194K88-Q191 PolarHBondContact O-NE2 3.26Å; K88-Q191 PolarHBondContact O-OE1 2.96Å; W90-Q191 HydrophobicContact CD2-CB 4.02Å; W90-Q191 HydrophobicContact CD2-CG 4.2Å; W90-Q191 HydrophobicContact CE3-CB 4.29Å; W90-Q191 HydrophobicContact CE3-CG 4.39Å; W90-Q191 HydrophobicContact CH2-CB 3.81Å; W90-Q191 HydrophobicContact CZ2-CB 3.5Å; W90-Q191 HydrophobicContact CZ3-CB 4.19Å; V93-Q191 HydrophobicContact CG2-CG 3.43Å; V93-Q191 VanDerWaalsContact CG2-CG 3.43Å; L187-Q191 WeakPolarHBondContact O-CG 3.46Å; L187-Q191 PolarHBondContact O-N 3.16Å; V188-Q191 PolarHBondContact O-N 3.43Å; V188-Q191 VanDerWaalsContact O-N 3.11Å; Q191-A193 VanDerWaalsContact C-N 3.29Å; Q191-A193 PolarHBondContact O-N 3.42Å; Q191-K194 WeakPolarHBondContact O-CB 3.37Å; Q191-K194 PolarHBondContact O-N 3.3Å
192L95.4Very high92.4Very high28 Ų2832.8 Ų32.815%0.14718%0.178CC..Hα-helixtrans-66.1-30.5173.9-69.8177.5000112.8R16 L19 L20 W90 V188 R190R16-L192 WeakPolarHBondContact CD-O 3.25Å; R16-L192 HydrophobicContact CG-CB 4.11Å; L19-L192 HydrophobicContact CB-CD1 4.28Å; L19-L192 HydrophobicContact CD1-CD2 3.72Å; L20-L192 HydrophobicContact CD1-CD1 4.42Å; L20-L192 HydrophobicContact CD2-CD1 4.05Å; L20-L192 HydrophobicContact CG-CD1 3.84Å; W90-L192 HydrophobicContact CH2-CD2 4.07Å; W90-L192 HydrophobicContact CH2-CG 4.26Å; W90-L192 HydrophobicContact CZ2-CD2 4.08Å; W90-L192 HydrophobicContact CZ2-CG 4.49Å; V188-L192 HydrophobicContact CG1-CD1 3.91Å; V188-L192 HydrophobicContact CG1-CG 4.23Å; V188-L192 WeakPolarHBondContact O-CG 3.34Å; V188-L192 PolarHBondContact O-N 2.97Å; R190-L192 VanDerWaalsContact C-N 3.27Å; R190-L192 PolarHBondContact O-N 3.07Å
193A94.5Very high91.6Very high1 Ų140.5 Ų40.51%0.00821%0.206CC..Hα-helixtrans-85.2-15176.300000114.3P74 Y86 G189 R190 Q191 P195 D196 V197P74-A193 HydrophobicContact CB-CB 3.73Å; P74-A193 HydrophobicContact CG-CB 3.58Å; Y86-A193 HydrophobicContact CE1-CB 4.18Å; G189-A193 WeakPolarHBondContact O-CB 3.29Å; G189-A193 PolarHBondContact O-N 3.21Å; R190-A193 CarbonylContact O-C 3.52Å; R190-A193 PolarHBondContact O-N 3.3Å; R190-A193 VanDerWaalsContact O-N 3.08Å; Q191-A193 VanDerWaalsContact C-N 3.29Å; Q191-A193 PolarHBondContact O-N 3.42Å; A193-P195 VanDerWaalsContact C-CD 3.47Å; A193-D196 PolarHBondContact O-N 3.26Å; A193-D196 VanDerWaalsContact O-N 3.13Å; A193-V197 HydrophobicContact CB-CG2 4.41Å; A193-V197 WeakPolarHBondContact O-CG2 3.46Å; A193-V197 PolarHBondContact O-N 3.33Å; A193-V197 VanDerWaalsContact O-N 3.1Å
194K92.6Very high90.7Very high55 Ų5547.8 Ų47.824%0.23924%0.237CC..Hα-helixtrans-53.9-44.5-170.7-171.7173.4179.3171.50113.1Y86 K88 R190 Q191 D196 V197 M198Y86-K194 HydrophobicContact CD1-CB 4.14Å; Y86-K194 HydrophobicContact CD1-CG 4.3Å; Y86-K194 WeakPolarHBondContact O-CE 3.42Å; Y86-K194 PolarHBondContact O-NZ 3.32Å; K88-K194 PolarHBondContact O-NZ 3.35Å; R190-K194 PolarHBondContact O-N 2.92Å; Q191-K194 WeakPolarHBondContact O-CB 3.37Å; Q191-K194 PolarHBondContact O-N 3.3Å; K194-D196 VanDerWaalsContact C-N 3.34Å; K194-D196 PolarHBondContact O-N 3.28Å; K194-V197 PolarHBondContact O-N 3.22Å; K194-M198 HydrophobicContact CG-CE 4.05Å; K194-M198 HydrophobicContact CG-CG 4.02Å; K194-M198 WeakPolarHBondContact O-CB 3.41Å; K194-M198 WeakPolarHBondContact O-CG 3.15Å; K194-M198 PolarHBondContact O-N 2.96Å
195P90.2Very high89.6Confident90 Ų9053.9 Ų53.958%0.58428%0.275SS*.Hα-helixtrans-58.6-43.4178.6-24.235.2000113.3A193 A199A193-P195 VanDerWaalsContact C-CD 3.47Å; P195-A199 WeakPolarHBondContact O-CB 3.45Å; P195-A199 PolarHBondContact O-N 2.88Å; P195-A199 VanDerWaalsContact O-N 3.07Å
196D88.4Confident87.8Confident64 Ų6464.6 Ų64.634%0.34232%0.32SS..Hα-helixtrans-65.5-44.3179.8-61.6-39000111.2R16 A193 K194 A199 L200R16-D196 IonicContact NH1-OD2 3.59Å; R16-D196 PolarHBondContact NH1-OD2 3.11Å; A193-D196 PolarHBondContact O-N 3.26Å; A193-D196 VanDerWaalsContact O-N 3.13Å; K194-D196 VanDerWaalsContact C-N 3.34Å; K194-D196 PolarHBondContact O-N 3.28Å; D196-A199 PolarHBondContact O-N 3.46Å; D196-L200 WeakPolarHBondContact O-CG 3.38Å; D196-L200 PolarHBondContact O-N 3.28Å
197V87.5Confident87.3Confident20 Ų2067.8 Ų67.812%0.12134%0.336CS..Hα-helixtrans-67.5-42.1-178.2176.20000111.1Y83 Y86 A193 K194 L200 M201Y83-V197 HydrophobicContact CD1-CG1 4.15Å; Y83-V197 HydrophobicContact CE1-CG1 4.4Å; Y86-V197 HydrophobicContact CD1-CB 4.34Å; Y86-V197 HydrophobicContact CD1-CG1 4.37Å; Y86-V197 HydrophobicContact CD1-CG2 4.5Å; Y86-V197 HydrophobicContact CD2-CG1 4.18Å; Y86-V197 HydrophobicContact CE1-CB 4.1Å; Y86-V197 HydrophobicContact CE1-CG1 4.3Å; Y86-V197 HydrophobicContact CE1-CG2 3.77Å; Y86-V197 HydrophobicContact CE2-CG1 4.11Å; Y86-V197 HydrophobicContact CE2-CG2 4.47Å; Y86-V197 HydrophobicContact CG-CG1 4.31Å; A193-V197 HydrophobicContact CB-CG2 4.41Å; A193-V197 WeakPolarHBondContact O-CG2 3.46Å; A193-V197 PolarHBondContact O-N 3.33Å; A193-V197 VanDerWaalsContact O-N 3.1Å; K194-V197 PolarHBondContact O-N 3.22Å; V197-L200 PolarHBondContact O-N 3.28Å; V197-M201 HydrophobicContact CG1-CE 4.33Å; V197-M201 WeakPolarHBondContact O-CG 3.23Å; V197-M201 PolarHBondContact O-N 3.18Å
198M86.8Confident86.8Confident56 Ų5671.2 Ų71.228%0.27635%0.353SS..Hα-helixtrans-64.8-40.9177.2-65.5-63.9149.200111.6Y86 K194 L200 M201 Q202Y86-M198 VanDerWaalsContact CB-CE 3.42Å; Y86-M198 HydrophobicContact CG-CE 4.3Å; K194-M198 HydrophobicContact CG-CE 4.05Å; K194-M198 HydrophobicContact CG-CG 4.02Å; K194-M198 WeakPolarHBondContact O-CB 3.41Å; K194-M198 WeakPolarHBondContact O-CG 3.15Å; K194-M198 PolarHBondContact O-N 2.96Å; M198-L200 VanDerWaalsContact C-N 3.31Å; M198-L200 PolarHBondContact O-N 3.07Å; M198-M201 HydrophobicContact CE-CE 3.46Å; M198-M201 VanDerWaalsContact CE-CE 3.46Å; M198-M201 PolarHBondContact O-N 3.48Å; M198-M201 HydrophobicContact SD-CE 3.33Å; M198-M201 WeakPolarHBondContact SD-CE 3.48Å; M198-Q202 WeakPolarHBondContact O-CG 3.41Å; M198-Q202 PolarHBondContact O-N 3.05Å
199A86.6Confident86.2Confident43 Ų4374.6 Ų74.636%0.35537%0.37SS..Hα-helixtrans-63.1-36.5175.200000112.5P195 D196 R203P195-A199 WeakPolarHBondContact O-CB 3.45Å; P195-A199 PolarHBondContact O-N 2.88Å; P195-A199 VanDerWaalsContact O-N 3.07Å; D196-A199 PolarHBondContact O-N 3.46Å; A199-R203 WeakPolarHBondContact O-CG 3.36Å; A199-R203 PolarHBondContact O-N 2.89Å
200L83.1Confident85.6Confident102 Ų10279 Ų7953%0.53439%0.391SS..Hα-helixtrans-68.9-40.6174.3-72.1172.2000112.3D196 V197 M198 R203 K204D196-L200 WeakPolarHBondContact O-CG 3.38Å; D196-L200 PolarHBondContact O-N 3.28Å; V197-L200 PolarHBondContact O-N 3.28Å; M198-L200 VanDerWaalsContact C-N 3.31Å; M198-L200 PolarHBondContact O-N 3.07Å; L200-R203 PolarHBondContact O-N 2.9Å; L200-K204 PolarHBondContact O-N 3.1Å
201M81.7Confident85Confident52 Ų5283.9 Ų83.926%0.25642%0.416SS..Hα-helixtrans-64.1-42.9176.5-72-161.3-70.500111.7Y83 V197 M198 R203 K204 V205Y83-M201 HydrophobicContact CD1-CG 4.18Å; Y83-M201 HydrophobicContact CD1-SD 3.59Å; Y83-M201 VanDerWaalsContact CD1-SD 3.59Å; Y83-M201 HydrophobicContact CE1-CG 4.3Å; Y83-M201 HydrophobicContact CE1-SD 4.26Å; Y83-M201 HydrophobicContact CG-SD 3.79Å; V197-M201 HydrophobicContact CG1-CE 4.33Å; V197-M201 WeakPolarHBondContact O-CG 3.23Å; V197-M201 PolarHBondContact O-N 3.18Å; M198-M201 HydrophobicContact CE-CE 3.46Å; M198-M201 VanDerWaalsContact CE-CE 3.46Å; M198-M201 PolarHBondContact O-N 3.48Å; M198-M201 HydrophobicContact SD-CE 3.33Å; M198-M201 WeakPolarHBondContact SD-CE 3.48Å; M201-R203 PolarHBondContact O-N 3.05Å; M201-K204 PolarHBondContact O-N 3.01Å; M201-V205 WeakPolarHBondContact O-CG2 3.31Å; M201-V205 PolarHBondContact O-N 3.26Å
202Q82.9Confident84.3Confident137 Ų13788.9 Ų88.964%0.6444%0.441SS*.Hα-helixtrans-60-32.2176-73.7179.8-26.800113.3M198M198-Q202 WeakPolarHBondContact O-CG 3.41Å; M198-Q202 PolarHBondContact O-N 3.05Å
203R81.8Confident83.5Confident166 Ų16693.3 Ų93.363%0.62646%0.462SS*.Hα-helixtrans-74.8-24.5175.5-73.2-179.6-172.4-167.10.8114A199 L200 M201A199-R203 WeakPolarHBondContact O-CG 3.36Å; A199-R203 PolarHBondContact O-N 2.89Å; L200-R203 PolarHBondContact O-N 2.9Å; M201-R203 PolarHBondContact O-N 3.05Å
204K77.3Confident82.6Confident153 Ų153100.4 Ų100.467%0.66550%0.497SS*.Hα-helixtrans-81-19.2176-72-174.9177.2-174.50112.8Y83 L200 M201Y83-K204 PolarHBondContact OH-NZ 3.4Å; L200-K204 PolarHBondContact O-N 3.1Å; M201-K204 PolarHBondContact O-N 3.01Å
205V75.9Confident81.8Confident129 Ų129104.2 Ų104.278%0.78252%0.518SS*.Hα-helixtrans-87.3-23.9179.2175.70000112M201M201-V205 WeakPolarHBondContact O-CG2 3.31Å; M201-V205 PolarHBondContact O-N 3.26Å
206K59.6Low81.1Confident238 Ų238105.5 Ų105.5100%1.03551%0.512SS*.  trans-86.30172.6-71.6-174.4177.3-173.20110.9

Retrieved 206 of 206 residues in 92.1 ms (Link to these results)

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