A0A096NFB7_PAPAN Loading...

Acylglycerol kinase, mitochondrial

AlphaFold DB , UniProt , Accession A0A096NFB7, Species PAPAN (Papio anubis, Olive baboon), Gene AGK, Length 422 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
1M56.5Low72.8Confident192 Ų192121.4 Ų121.495%0.94659%0.594SS**  0-42.70-91.4-167.2-88.600114.1V3 F4 F5M1-V3 PolarHBondContact O-N 3.3Å; M1-F4 PolarHBondContact O-N 3.16Å; M1-F5 WeakPolarHBondContact O-CD2 3.3Å; M1-F5 PolarHBondContact O-N 3.05Å
2T64.3Low73.9Confident112 Ų112124.8 Ų124.869%0.68760%0.595SS**Hα-helixtrans-62.8-32.5-174.742.30000115.6K6T2-K6 WeakPolarHBondContact O-CB 3.24Å; T2-K6 WeakPolarHBondContact O-CG 3.04Å; T2-K6 PolarHBondContact O-N 3.42Å; T2-K6 VanDerWaalsContact O-N 3.13Å
3V72.9Confident75.1Confident108 Ų108126.7 Ų126.766%0.65560%0.6SS**Hα-helixtrans-70.8-42177.3-178.70000111.5M1 K6 T7M1-V3 PolarHBondContact O-N 3.3Å; V3-K6 PolarHBondContact O-N 3.39Å; V3-T7 PolarHBondContact O-N 2.71Å; V3-T7 PolarHBondContact O-OG1 3.03Å
4F72.4Confident76.1Confident139 Ų139128.3 Ų128.361%0.6160%0.603SS**Hα-helixtrans-62.5-47179.4-176.4-102000112.1M1 K6 T7 L8M1-F4 PolarHBondContact O-N 3.16Å; F4-K6 PolarHBondContact O-N 3.06Å; F4-T7 PolarHBondContact O-N 2.94Å; F4-L8 HydrophobicContact CD1-CD1 3.78Å; F4-L8 HydrophobicContact CD2-CD1 4.21Å; F4-L8 HydrophobicContact CE1-CD1 3.39Å; F4-L8 HydrophobicContact CE2-CD1 3.86Å; F4-L8 HydrophobicContact CG-CD1 4.18Å; F4-L8 HydrophobicContact CZ-CD1 3.44Å; F4-L8 VanDerWaalsContact CZ-CD1 3.44Å; F4-L8 WeakPolarHBondContact O-CD1 3.31Å; F4-L8 PolarHBondContact O-N 3.37Å
5F71.9Confident76.9Confident134 Ų134123.1 Ų123.159%0.58858%0.583SS**Hα-helixtrans-65.6-35.6175.6-78.6-76.5000112.8M1 R9M1-F5 WeakPolarHBondContact O-CD2 3.3Å; M1-F5 PolarHBondContact O-N 3.05Å; F5-R9 WeakPolarHBondContact O-CB 3.29Å; F5-R9 PolarHBondContact O-N 3.36Å
6K72.7Confident77.7Confident131 Ų131119.9 Ų119.957%0.5757%0.574SS**Hα-helixtrans-63.9-41.8172.2-85.8-178.4175.4-179.50111.9T2 V3 F4 R9 N10T2-K6 WeakPolarHBondContact O-CB 3.24Å; T2-K6 WeakPolarHBondContact O-CG 3.04Å; T2-K6 PolarHBondContact O-N 3.42Å; T2-K6 VanDerWaalsContact O-N 3.13Å; V3-K6 PolarHBondContact O-N 3.39Å; F4-K6 PolarHBondContact O-N 3.06Å; K6-R9 PolarHBondContact O-N 2.63Å; K6-N10 WeakPolarHBondContact O-CB 3.19Å; K6-N10 VanDerWaalsContact O-CG 3.22Å; K6-N10 PolarHBondContact O-N 3.4Å; K6-N10 PolarHBondContact O-OD1 2.71Å
7T73.4Confident78.6Confident72 Ų72115.9 Ų115.944%0.44257%0.566SS.*Hα-helixtrans-66.7-43177.8-54.30000112V3 F4 R9 N10 H11V3-T7 PolarHBondContact O-N 2.71Å; V3-T7 PolarHBondContact O-OG1 3.03Å; F4-T7 PolarHBondContact O-N 2.94Å; T7-R9 VanDerWaalsContact C-N 3.3Å; T7-R9 PolarHBondContact O-N 2.72Å; T7-N10 PolarHBondContact O-N 3.2Å; T7-H11 PolarHBondContact O-N 3.45Å; T7-H11 VanDerWaalsContact O-N 3.08Å
8L73.3Confident79.4Confident60 Ų60111.1 Ų111.131%0.31455%0.552SS.*Hα-helixtrans-58.5-42.1173.9-104.789.8000112F4 H11 W12 T15F4-L8 HydrophobicContact CD1-CD1 3.78Å; F4-L8 HydrophobicContact CD2-CD1 4.21Å; F4-L8 HydrophobicContact CE1-CD1 3.39Å; F4-L8 HydrophobicContact CE2-CD1 3.86Å; F4-L8 HydrophobicContact CG-CD1 4.18Å; F4-L8 HydrophobicContact CZ-CD1 3.44Å; F4-L8 VanDerWaalsContact CZ-CD1 3.44Å; F4-L8 WeakPolarHBondContact O-CD1 3.31Å; F4-L8 PolarHBondContact O-N 3.37Å; L8-H11 CarbonylContact O-C 3.46Å; L8-W12 WeakPolarHBondContact O-CA 3.43Å; L8-W12 PolarHBondContact O-N 3.5Å; L8-T15 HydrophobicContact CD2-CG2 3.51Å; L8-T15 HydrophobicContact CG-CG2 3.68Å; L8-T15 PolarHBondContact O-OG1 2.81Å
9R75.3Confident80.1Confident179 Ų179111.1 Ų111.168%0.67555%0.553SS**Hα-helixtrans-68.6-43.5178.8-168.2178.973.9162.55.7112.2F5 K6 T7 H11F5-R9 WeakPolarHBondContact O-CB 3.29Å; F5-R9 PolarHBondContact O-N 3.36Å; K6-R9 PolarHBondContact O-N 2.63Å; T7-R9 VanDerWaalsContact C-N 3.3Å; T7-R9 PolarHBondContact O-N 2.72Å; R9-H11 VanDerWaalsContact C-N 3.25Å; R9-H11 PolarHBondContact O-N 3.16Å
10N82.6Confident80.8Confident112 Ų112109.1 Ų109.160%0.59955%0.55SS*.Hα-helixtrans-68.3-25.1-179.6-73.9-1.4000112.8K6 T7K6-N10 WeakPolarHBondContact O-CB 3.19Å; K6-N10 VanDerWaalsContact O-CG 3.22Å; K6-N10 PolarHBondContact O-N 3.4Å; K6-N10 PolarHBondContact O-OD1 2.71Å; T7-N10 PolarHBondContact O-N 3.2Å
11H85.4Confident81.5Confident96 Ų96109.6 Ų109.644%0.44455%0.553SS.*THydrogen-bonded Turntrans-12041.4177.5-65.9-51.4000113.1T7 L8 R9 K13 K14 T15T7-H11 PolarHBondContact O-N 3.45Å; T7-H11 VanDerWaalsContact O-N 3.08Å; L8-H11 CarbonylContact O-C 3.46Å; R9-H11 VanDerWaalsContact C-N 3.25Å; R9-H11 PolarHBondContact O-N 3.16Å; H11-K13 VanDerWaalsContact C-N 3.25Å; H11-K13 PolarHBondContact O-N 3.37Å; H11-K13 VanDerWaalsContact O-N 3.09Å; H11-K14 HydrophobicContact CB-CB 4.23Å; H11-K14 HydrophobicContact CB-CD 4.21Å; H11-K14 HydrophobicContact CB-CG 4.38Å; H11-K14 PolarHBondContact O-N 2.79Å; H11-T15 PolarHBondContact O-N 2.7Å; H11-T15 PolarHBondContact O-OG1 2.87Å
12W86Confident83.3Confident162 Ų162106.7 Ų106.761%0.61454%0.541SS*.Hα-helixtrans-50.5-40.3-175.173.9-91.6000113.8L8 K14 T15 T16L8-W12 WeakPolarHBondContact O-CA 3.43Å; L8-W12 PolarHBondContact O-N 3.5Å; W12-K14 PolarHBondContact O-N 2.81Å; W12-T15 PolarHBondContact O-N 3.05Å; W12-T16 PolarHBondContact O-N 2.74Å; W12-T16 PolarHBondContact O-OG1 3.38Å
13K89.5Confident84.8Confident150 Ų150105.5 Ų105.565%0.65253%0.533SS*.Hα-helixtrans-60.3-40.9176.1-62.2-175.8-179.2-179.40113.1H11 A17H11-K13 VanDerWaalsContact C-N 3.25Å; H11-K13 PolarHBondContact O-N 3.37Å; H11-K13 VanDerWaalsContact O-N 3.09Å; K13-A17 WeakPolarHBondContact O-CB 3.43Å; K13-A17 PolarHBondContact O-N 3.39Å; K13-A17 VanDerWaalsContact O-N 3.11Å
14K89.3Confident85.9Confident149 Ų149108.5 Ų108.565%0.64853%0.533SS*.Hα-helixtrans-72.4-39.9179-61-176-179.5178.60110.9H11 W12 A17 G18H11-K14 HydrophobicContact CB-CB 4.23Å; H11-K14 HydrophobicContact CB-CD 4.21Å; H11-K14 HydrophobicContact CB-CG 4.38Å; H11-K14 PolarHBondContact O-N 2.79Å; W12-K14 PolarHBondContact O-N 2.81Å; K14-A17 PolarHBondContact O-N 2.84Å; K14-G18 PolarHBondContact O-N 3.27Å
15T88.5Confident87.1Confident50 Ų50103 Ų10331%0.30752%0.515SS..Hα-helixtrans-61.6-47.4175.8-52.10000111.2L8 H11 W12 G18 L19L8-T15 HydrophobicContact CD2-CG2 3.51Å; L8-T15 HydrophobicContact CG-CG2 3.68Å; L8-T15 PolarHBondContact O-OG1 2.81Å; H11-T15 PolarHBondContact O-N 2.7Å; H11-T15 PolarHBondContact O-OG1 2.87Å; W12-T15 PolarHBondContact O-N 3.05Å; T15-G18 PolarHBondContact O-N 3.03Å; T15-L19 PolarHBondContact O-N 2.56Å
16T89.7Confident88.3Confident72 Ų7298.5 Ų98.544%0.44251%0.507SS..Hα-helixtrans-63-45.6178-53.60000111.4W12 G18 L19 C20W12-T16 PolarHBondContact O-N 2.74Å; W12-T16 PolarHBondContact O-OG1 3.38Å; T16-G18 VanDerWaalsContact C-N 3.34Å; T16-G18 PolarHBondContact O-N 2.93Å; T16-L19 PolarHBondContact O-N 2.81Å; T16-C20 PolarHBondContact O-N 2.96Å; T16-C20 PolarHBondContact O-SG 2.82Å; T16-C20 VanDerWaalsContact O-SG 3.32Å
17A92.7Very high89.4Confident53 Ų5399 Ų9944%0.43851%0.511SS..Hα-helixtrans-60.6-42.8176.200000112.2K13 K14 C20 L21K13-A17 WeakPolarHBondContact O-CB 3.43Å; K13-A17 PolarHBondContact O-N 3.39Å; K13-A17 VanDerWaalsContact O-N 3.11Å; K14-A17 PolarHBondContact O-N 2.84Å; A17-C20 PolarHBondContact O-N 2.83Å; A17-L21 WeakPolarHBondContact O-CG 3.48Å; A17-L21 PolarHBondContact O-N 2.79Å
18G92.2Very high90.4Very high29 Ų29102.3 Ų102.330%0.29952%0.516SS..Hα-helixtrans-61.4-43175.200000112.6K14 T15 T16 L21 L22K14-G18 PolarHBondContact O-N 3.27Å; T15-G18 PolarHBondContact O-N 3.03Å; T16-G18 VanDerWaalsContact C-N 3.34Å; T16-G18 PolarHBondContact O-N 2.93Å; G18-L21 PolarHBondContact O-N 3Å; G18-L22 WeakPolarHBondContact O-CB 3.38Å; G18-L22 VanDerWaalsContact O-CG 3.32Å; G18-L22 WeakPolarHBondContact O-CG 3.06Å; G18-L22 PolarHBondContact O-N 3.06Å
19L92.9Very high91.6Very high110 Ų110104.6 Ų104.658%0.57653%0.527SS*.Hα-helixtrans-63.4-45.5176.3-174.365.4000111.5T15 T16 L21 L22 T23T15-L19 PolarHBondContact O-N 2.56Å; T16-L19 PolarHBondContact O-N 2.81Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 2.91Å; L19-L22 PolarHBondContact O-N 2.75Å; L19-T23 HydrophobicContact CD1-CG2 4.4Å; L19-T23 HydrophobicContact CG-CG2 4.47Å; L19-T23 WeakPolarHBondContact O-CG2 3.39Å; L19-T23 PolarHBondContact O-N 2.95Å; L19-T23 PolarHBondContact O-OG1 3.01Å
20C94.2Very high92.5Very high72 Ų72103.3 Ų103.349%0.48652%0.524SS..Hα-helixtrans-60.3-40.3176.2-68.80000112.5T16 A17 T23 W24T16-C20 PolarHBondContact O-N 2.96Å; T16-C20 PolarHBondContact O-SG 2.82Å; T16-C20 VanDerWaalsContact O-SG 3.32Å; A17-C20 PolarHBondContact O-N 2.83Å; C20-T23 WeakPolarHBondContact CA-OG1 3.5Å; C20-T23 PolarHBondContact O-OG1 2.86Å; C20-W24 WeakPolarHBondContact O-CB 3.45Å; C20-W24 PolarHBondContact O-N 3Å
21L95Very high93.1Very high119 Ų11999.3 Ų99.362%0.62351%0.509SS*.Hα-helixtrans-67.7-39.4176.5-74.9171.8000112.1A17 G18 L19 G25A17-L21 WeakPolarHBondContact O-CG 3.48Å; A17-L21 PolarHBondContact O-N 2.79Å; G18-L21 PolarHBondContact O-N 3Å; L19-L21 VanDerWaalsContact C-N 3.32Å; L19-L21 PolarHBondContact O-N 2.91Å; L21-G25 WeakPolarHBondContact O-CA 3.41Å; L21-G25 PolarHBondContact O-N 2.81Å
22L95.1Very high93.6Very high131 Ų13199.9 Ų99.969%0.68651%0.511SS*.Hα-helixtrans-68.1-42.4177.1-73.8173.2000112G18 L19 G26G18-L22 WeakPolarHBondContact O-CB 3.38Å; G18-L22 VanDerWaalsContact O-CG 3.32Å; G18-L22 WeakPolarHBondContact O-CG 3.06Å; G18-L22 PolarHBondContact O-N 3.06Å; L19-L22 PolarHBondContact O-N 2.75Å; L22-G26 PolarHBondContact O-N 3.48Å
23T95.8Very high94.1Very high87 Ų8797.1 Ų97.153%0.53450%0.504SS..Hα-helixtrans-66.6-44.8177.355.60000111.2L19 C20 H27L19-T23 HydrophobicContact CD1-CG2 4.4Å; L19-T23 HydrophobicContact CG-CG2 4.47Å; L19-T23 WeakPolarHBondContact O-CG2 3.39Å; L19-T23 PolarHBondContact O-N 2.95Å; L19-T23 PolarHBondContact O-OG1 3.01Å; C20-T23 WeakPolarHBondContact CA-OG1 3.5Å; C20-T23 PolarHBondContact O-OG1 2.86Å; T23-H27 WeakPolarHBondContact O-CB 3.24Å; T23-H27 PolarHBondContact O-N 2.81Å
24W96.6Very high94.3Very high172 Ų17291.6 Ų91.665%0.65248%0.484SS*.Hα-helixtrans-63.1-47.6175.5177.183.5000112.1C20 G26 H27 W28C20-W24 WeakPolarHBondContact O-CB 3.45Å; C20-W24 PolarHBondContact O-N 3Å; W24-G26 PolarHBondContact O-N 2.95Å; W24-H27 PolarHBondContact O-N 3.15Å; W24-W28 WeakPolarHBondContact O-CB 3.05Å; W24-W28 PolarHBondContact O-N 3.07Å
25G97.1Very high94.6Very high23 Ų2386.1 Ų86.124%0.23746%0.462CS..Hα-helixtrans-64.9-38.8179.400000112.5L21 W28 L29L21-G25 WeakPolarHBondContact O-CA 3.41Å; L21-G25 PolarHBondContact O-N 2.81Å; G25-W28 PolarHBondContact O-N 2.86Å; G25-L29 WeakPolarHBondContact O-CB 3.27Å; G25-L29 PolarHBondContact O-N 2.79Å
26G97Very high95Very high40 Ų4087.6 Ų87.641%0.41247%0.468SS..Hα-helixtrans-62-45.7172.700000112.1L22 W24 L29 Y30L22-G26 PolarHBondContact O-N 3.48Å; W24-G26 PolarHBondContact O-N 2.95Å; G26-L29 PolarHBondContact O-N 2.72Å; G26-Y30 WeakPolarHBondContact O-CB 3.13Å; G26-Y30 PolarHBondContact O-N 2.84Å
27H95.8Very high95.3Very high141 Ų14188.2 Ų88.265%0.65347%0.468SS*.Hα-helixtrans-63.5-42.8175.9-173.176.1000112.3T23 W24 Y30 G31T23-H27 WeakPolarHBondContact O-CB 3.24Å; T23-H27 PolarHBondContact O-N 2.81Å; W24-H27 PolarHBondContact O-N 3.15Å; H27-Y30 PolarHBondContact O-N 2.85Å; H27-G31 PolarHBondContact O-N 3.01Å
28W95.4Very high95.5Very high142 Ų14288.4 Ų88.454%0.53846%0.461SS..Hα-helixtrans-61.4-44.4175.5176.486.1000112.2W24 G25 G31 K32W24-W28 WeakPolarHBondContact O-CB 3.05Å; W24-W28 PolarHBondContact O-N 3.07Å; G25-W28 PolarHBondContact O-N 2.86Å; W28-G31 PolarHBondContact O-N 2.77Å; W28-K32 HydrophobicContact CH2-CD 4.04Å; W28-K32 HydrophobicContact CZ2-CD 4.35Å; W28-K32 HydrophobicContact CZ3-CD 4.48Å; W28-K32 PolarHBondContact O-N 3.4Å
29L96.8Very high95.7Very high107 Ų10789.3 Ų89.356%0.5646%0.456SS*.Hα-helixtrans-66.9-40.5178.9-17168.5000111.5G25 G26 K32 H33G25-L29 WeakPolarHBondContact O-CB 3.27Å; G25-L29 PolarHBondContact O-N 2.79Å; G26-L29 PolarHBondContact O-N 2.72Å; L29-K32 PolarHBondContact O-N 3.07Å; L29-H33 PolarHBondContact O-N 2.88Å
30Y95.9Very high95.9Very high152 Ų15292.2 Ų92.260%0.59646%0.459SS*.Hα-helixtrans-59.6-46.9173.7179.5-101.8000111.4G26 H27 K32 H33 C34G26-Y30 WeakPolarHBondContact O-CB 3.13Å; G26-Y30 PolarHBondContact O-N 2.84Å; H27-Y30 PolarHBondContact O-N 2.85Å; Y30-K32 VanDerWaalsContact C-N 3.33Å; Y30-K32 PolarHBondContact O-N 3.42Å; Y30-H33 WeakPolarHBondContact O-CB 3.19Å; Y30-H33 PolarHBondContact O-N 3.41Å; Y30-H33 VanDerWaalsContact O-N 3.09Å; Y30-C34 VanDerWaalsContact CE1-SG 3.54Å; Y30-C34 VanDerWaalsContact CZ-SG 3.51Å; Y30-C34 PolarHBondContact O-N 2.75Å; Y30-C34 PolarHBondContact O-SG 3.31Å; Y30-C34 VanDerWaalsContact O-SG 3.35Å
31G94.7Very high96Very high29 Ų2991.2 Ų91.230%0.29946%0.456SS..Hα-helixtrans-56.2-46174.700000112.4H27 W28 H33 C34 D35H27-G31 PolarHBondContact O-N 3.01Å; W28-G31 PolarHBondContact O-N 2.77Å; G31-H33 VanDerWaalsContact C-N 3.31Å; G31-H33 PolarHBondContact O-N 2.87Å; G31-C34 PolarHBondContact O-N 2.69Å; G31-D35 VanDerWaalsContact O-CG 3.3Å; G31-D35 PolarHBondContact O-N 3.32Å
32K94.8Very high96.1Very high108 Ų10885.9 Ų85.947%0.4743%0.429SS..Hα-helixtrans-63-35.9176.4-170.1176.2-178.6-178.10112.9W28 L29 Y30 N36W28-K32 HydrophobicContact CH2-CD 4.04Å; W28-K32 HydrophobicContact CZ2-CD 4.35Å; W28-K32 HydrophobicContact CZ3-CD 4.48Å; W28-K32 PolarHBondContact O-N 3.4Å; L29-K32 PolarHBondContact O-N 3.07Å; Y30-K32 VanDerWaalsContact C-N 3.33Å; Y30-K32 PolarHBondContact O-N 3.42Å; K32-N36 VanDerWaalsContact O-CG 3.3Å; K32-N36 PolarHBondContact O-N 3.01Å; K32-N36 PolarHBondContact O-ND2 3.14Å
33H96.5Very high96.2Very high104 Ų10481.1 Ų81.148%0.48141%0.406SS..Hα-helixtrans-65.8-47.4174.6-179.773.3000111.3L29 Y30 G31 D35 N36 L37L29-H33 PolarHBondContact O-N 2.88Å; Y30-H33 WeakPolarHBondContact O-CB 3.19Å; Y30-H33 PolarHBondContact O-N 3.41Å; Y30-H33 VanDerWaalsContact O-N 3.09Å; G31-H33 VanDerWaalsContact C-N 3.31Å; G31-H33 PolarHBondContact O-N 2.87Å; H33-D35 VanDerWaalsContact C-N 3.33Å; H33-D35 PolarHBondContact O-N 3.1Å; H33-N36 WeakPolarHBondContact O-CB 3.28Å; H33-N36 PolarHBondContact O-N 2.96Å; H33-N36 VanDerWaalsContact O-N 3.09Å; H33-L37 WeakPolarHBondContact NE2-CD1 3.49Å; H33-L37 PolarHBondContact O-N 3.45Å
34C95.3Very high96.3Very high34 Ų3482.1 Ų82.123%0.2341%0.405CS..Hα-helixtrans-58.4-43.4175.3-66.40000112.1Y30 G31 N36 L37 L38Y30-C34 VanDerWaalsContact CE1-SG 3.54Å; Y30-C34 VanDerWaalsContact CZ-SG 3.51Å; Y30-C34 PolarHBondContact O-N 2.75Å; Y30-C34 PolarHBondContact O-SG 3.31Å; Y30-C34 VanDerWaalsContact O-SG 3.35Å; G31-C34 PolarHBondContact O-N 2.69Å; C34-N36 VanDerWaalsContact C-N 3.27Å; C34-N36 PolarHBondContact O-N 3.44Å; C34-L37 WeakPolarHBondContact O-CB 3.26Å; C34-L37 PolarHBondContact O-N 3.4Å; C34-L38 WeakPolarHBondContact O-CG 3.35Å; C34-L38 PolarHBondContact O-N 3.18Å
35D95.3Very high96.3Very high34 Ų3477 Ų7718%0.18239%0.388CS..Hα-helixtrans-59.6-38.7175.6-67.6-12.9000112.1G31 H33 L38 R39 N170 V172G31-D35 VanDerWaalsContact O-CG 3.3Å; G31-D35 PolarHBondContact O-N 3.32Å; H33-D35 VanDerWaalsContact C-N 3.33Å; H33-D35 PolarHBondContact O-N 3.1Å; D35-L38 PolarHBondContact O-N 2.78Å; D35-R39 VanDerWaalsContact CB-NH1 3.27Å; D35-R39 VanDerWaalsContact O-CG 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.36Å; D35-R39 PolarHBondContact O-N 3.47Å; D35-N170 PolarHBondContact OD1-ND2 2.92Å; D35-V172 HydrophobicContact CB-CG1 4.47Å; D35-V172 HydrophobicContact CB-CG2 4.36Å
36N96.4Very high96.3Very high81 Ų8175.9 Ų75.943%0.43338%0.377SS..Hα-helixtrans-70.4-36177.6-71.9-18.5000112.3K32 H33 C34 R39 R40K32-N36 VanDerWaalsContact O-CG 3.3Å; K32-N36 PolarHBondContact O-N 3.01Å; K32-N36 PolarHBondContact O-ND2 3.14Å; H33-N36 WeakPolarHBondContact O-CB 3.28Å; H33-N36 PolarHBondContact O-N 2.96Å; H33-N36 VanDerWaalsContact O-N 3.09Å; C34-N36 VanDerWaalsContact C-N 3.27Å; C34-N36 PolarHBondContact O-N 3.44Å; N36-R39 PolarHBondContact O-N 2.89Å; N36-R39 PolarHBondContact OD1-NH1 3.41Å; N36-R40 WeakPolarHBondContact O-CB 3.3Å; N36-R40 PolarHBondContact O-N 3.46Å
37L96.8Very high96.3Very high85 Ų8578.5 Ų78.545%0.44538%0.378SS..Hα-helixtrans-62.6-44.8173.4-70.9174.3000110.9H33 C34 R40 A41H33-L37 WeakPolarHBondContact NE2-CD1 3.49Å; H33-L37 PolarHBondContact O-N 3.45Å; C34-L37 WeakPolarHBondContact O-CB 3.26Å; C34-L37 PolarHBondContact O-N 3.4Å; L37-R40 PolarHBondContact O-N 3.09Å; L37-A41 PolarHBondContact O-N 3.22Å
38L95.6Very high96.2Very high56 Ų5678.4 Ų78.429%0.29338%0.378SS..Hα-helixtrans-59.8-47.2175.7-71.3171.3000111.8C34 D35 R40 A41 A42 Q173C34-L38 WeakPolarHBondContact O-CG 3.35Å; C34-L38 PolarHBondContact O-N 3.18Å; D35-L38 PolarHBondContact O-N 2.78Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 2.98Å; L38-A41 PolarHBondContact O-N 2.85Å; L38-A42 WeakPolarHBondContact O-CB 3.39Å; L38-A42 PolarHBondContact O-N 2.93Å; L38-Q173 HydrophobicContact CD1-CB 4.13Å
39R96.8Very high96.1Very high49 Ų4974.6 Ų74.619%0.18537%0.365CS..Hα-helixtrans-57.7-44.7175.4-71.5172.3-170104.216.5112D35 N36 C43 N83 V172D35-R39 VanDerWaalsContact CB-NH1 3.27Å; D35-R39 VanDerWaalsContact O-CG 3.31Å; D35-R39 WeakPolarHBondContact O-CG 3.36Å; D35-R39 PolarHBondContact O-N 3.47Å; N36-R39 PolarHBondContact O-N 2.89Å; N36-R39 PolarHBondContact OD1-NH1 3.41Å; R39-C43 WeakPolarHBondContact O-CB 3.41Å; R39-C43 PolarHBondContact O-N 3.34Å; R39-C43 PolarHBondContact O-SG 2.85Å; R39-N83 VanDerWaalsContact CZ-OD1 3.29Å; R39-N83 PolarHBondContact NE-OD1 3.49Å; R39-N83 PolarHBondContact NH2-OD1 3.23Å; R39-V172 HydrophobicContact CG-CG1 4.29Å
40R97.7Very high95.9Very high171 Ų17170.8 Ų70.865%0.64535%0.352SS*.Hα-helixtrans-62-48.4178.7173.8177.9-88.4173.9-8.1110.9N36 L37 L38 A42 C43 Q44N36-R40 WeakPolarHBondContact O-CB 3.3Å; N36-R40 PolarHBondContact O-N 3.46Å; L37-R40 PolarHBondContact O-N 3.09Å; L38-R40 VanDerWaalsContact C-N 3.32Å; L38-R40 PolarHBondContact O-N 2.98Å; R40-A42 PolarHBondContact O-N 3.49Å; R40-C43 PolarHBondContact O-N 3.45Å; R40-Q44 WeakPolarHBondContact O-CG 2.77Å; R40-Q44 PolarHBondContact O-N 3.06Å
41A96.9Very high95.9Very high51 Ų5169.1 Ų69.142%0.42135%0.354SS..Hα-helixtrans-59.9-46.7179.400000111.5L37 L38 C43 Q44 E45L37-A41 PolarHBondContact O-N 3.22Å; L38-A41 PolarHBondContact O-N 2.85Å; A41-C43 VanDerWaalsContact C-N 3.34Å; A41-C43 PolarHBondContact O-N 3.4Å; A41-Q44 WeakPolarHBondContact O-CB 3.45Å; A41-Q44 PolarHBondContact O-N 3.48Å; A41-E45 PolarHBondContact O-N 3.1Å
42A96.2Very high95.8Very high7 Ų774.1 Ų74.16%0.05837%0.369CS..Hα-helixtrans-63.5-37.2177.700000112.9L38 R40 A46 I87 T176L38-A42 WeakPolarHBondContact O-CB 3.39Å; L38-A42 PolarHBondContact O-N 2.93Å; R40-A42 PolarHBondContact O-N 3.49Å; A42-A46 WeakPolarHBondContact O-CB 3.42Å; A42-A46 PolarHBondContact O-N 3.12Å; A42-I87 HydrophobicContact CB-CD1 3.8Å; A42-I87 HydrophobicContact CB-CG1 4.43Å; A42-T176 HydrophobicContact CB-CG2 4.42Å
43C97.7Very high95.8Very high31 Ų3177.5 Ų77.521%0.20939%0.392CS..Hα-helixtrans-68.5-36175.2-68.10000112.4R39 R40 A41 A46 Q47 L90R39-C43 WeakPolarHBondContact O-CB 3.41Å; R39-C43 PolarHBondContact O-N 3.34Å; R39-C43 PolarHBondContact O-SG 2.85Å; R40-C43 PolarHBondContact O-N 3.45Å; A41-C43 VanDerWaalsContact C-N 3.34Å; A41-C43 PolarHBondContact O-N 3.4Å; C43-A46 PolarHBondContact O-N 2.92Å; C43-Q47 VanDerWaalsContact O-CB 3.29Å; C43-Q47 WeakPolarHBondContact O-CB 3.42Å; C43-Q47 PolarHBondContact O-N 2.82Å; C43-L90 HydrophobicContact CB-CD1 3.77Å
44Q97.6Very high95.6Very high108 Ų10877 Ų7751%0.50539%0.392SS..Hα-helixtrans-64.4-46175.3-73.6171.6-34.200110.6R40 A41 Q47 E48R40-Q44 WeakPolarHBondContact O-CG 2.77Å; R40-Q44 PolarHBondContact O-N 3.06Å; A41-Q44 WeakPolarHBondContact O-CB 3.45Å; A41-Q44 PolarHBondContact O-N 3.48Å; Q44-Q47 WeakPolarHBondContact O-CB 3.49Å; Q44-Q47 PolarHBondContact O-N 2.85Å; Q44-E48 PolarHBondContact O-N 2.86Å; Q44-E48 VanDerWaalsContact O-N 3.17Å
45E96.3Very high95.6Very high64 Ų6478.8 Ų78.830%0.29940%0.403SS..Hα-helixtrans-60.9-46.4175.2-169.5175.316500111A41 Q47 E48 F49 L180 K184A41-E45 PolarHBondContact O-N 3.1Å; E45-Q47 VanDerWaalsContact C-N 3.29Å; E45-Q47 PolarHBondContact O-N 2.74Å; E45-E48 WeakPolarHBondContact O-CB 3.49Å; E45-E48 PolarHBondContact O-N 2.94Å; E45-E48 VanDerWaalsContact O-N 3.13Å; E45-F49 HydrophobicContact CG-CE2 4.07Å; E45-F49 WeakPolarHBondContact O-CD2 3.45Å; E45-F49 PolarHBondContact O-N 2.98Å; E45-L180 HydrophobicContact CB-CD1 4.3Å; E45-L180 VanDerWaalsContact CD-CD2 3.48Å; E45-L180 HydrophobicContact CG-CD1 3.96Å; E45-L180 HydrophobicContact CG-CD2 4.47Å; E45-L180 WeakPolarHBondContact OE1-CD2 3.36Å; E45-L180 VanDerWaalsContact OE2-CD2 3.25Å; E45-L180 WeakPolarHBondContact OE2-CD2 3.37Å; E45-K184 WeakPolarHBondContact OE1-CE 3.24Å; E45-K184 IonicContact OE1-NZ 3.1Å; E45-K184 PolarHBondContact OE1-NZ 3.26Å
46A96.1Very high95.4Very high0 Ų084 Ų840%044%0.438CS..Hα-helixtrans-61.1-36.5176.700000113.4A42 C43 E48 F49 G50 I87 L90A42-A46 WeakPolarHBondContact O-CB 3.42Å; A42-A46 PolarHBondContact O-N 3.12Å; C43-A46 PolarHBondContact O-N 2.92Å; A46-E48 VanDerWaalsContact C-N 3.3Å; A46-E48 PolarHBondContact O-N 2.97Å; A46-F49 WeakPolarHBondContact O-CB 3.27Å; A46-F49 PolarHBondContact O-N 2.79Å; A46-G50 PolarHBondContact O-N 3.26Å; A46-I87 HydrophobicContact CB-CB 4.4Å; A46-I87 HydrophobicContact CB-CG2 3.8Å; A46-L90 HydrophobicContact CB-CB 4.15Å
47Q96.9Very high95.2Very high94 Ų9486.7 Ų86.744%0.43945%0.453SS..Hα-helixtrans-64.7-35.2176.7-175.2-177.52.800111.7C43 Q44 E45 F49 G50 N51C43-Q47 VanDerWaalsContact O-CB 3.29Å; C43-Q47 WeakPolarHBondContact O-CB 3.42Å; C43-Q47 PolarHBondContact O-N 2.82Å; Q44-Q47 WeakPolarHBondContact O-CB 3.49Å; Q44-Q47 PolarHBondContact O-N 2.85Å; E45-Q47 VanDerWaalsContact C-N 3.29Å; E45-Q47 PolarHBondContact O-N 2.74Å; Q47-F49 VanDerWaalsContact C-N 3.29Å; Q47-F49 PolarHBondContact O-N 2.94Å; Q47-G50 PolarHBondContact O-N 2.85Å; Q47-N51 WeakPolarHBondContact O-CB 3.28Å; Q47-N51 PolarHBondContact O-N 2.99Å; Q47-N51 PolarHBondContact O-ND2 3.49Å
48E95.6Very high95Very high140 Ų14084.8 Ų84.865%0.65445%0.449SS*.Hα-helixtrans-62.2-37.8173.8-67.3176-178.300111.6Q44 E45 A46Q44-E48 PolarHBondContact O-N 2.86Å; Q44-E48 VanDerWaalsContact O-N 3.17Å; E45-E48 WeakPolarHBondContact O-CB 3.49Å; E45-E48 PolarHBondContact O-N 2.94Å; E45-E48 VanDerWaalsContact O-N 3.13Å; A46-E48 VanDerWaalsContact C-N 3.3Å; A46-E48 PolarHBondContact O-N 2.97Å
49F92.6Very high94.7Very high61 Ų6189.8 Ų89.827%0.26847%0.471SS..Hα-helixtrans-67.2-40.2172.3-71.8-81.7000112.5E45 A46 Q47 Q52 V183 K184E45-F49 HydrophobicContact CG-CE2 4.07Å; E45-F49 WeakPolarHBondContact O-CD2 3.45Å; E45-F49 PolarHBondContact O-N 2.98Å; A46-F49 WeakPolarHBondContact O-CB 3.27Å; A46-F49 PolarHBondContact O-N 2.79Å; Q47-F49 VanDerWaalsContact C-N 3.29Å; Q47-F49 PolarHBondContact O-N 2.94Å; F49-Q52 WeakPolarHBondContact O-CB 3.33Å; F49-Q52 VanDerWaalsContact O-CG 3.24Å; F49-Q52 WeakPolarHBondContact O-CG 3.42Å; F49-Q52 PolarHBondContact O-N 3.28Å; F49-V183 HydrophobicContact CB-CG1 3.7Å; F49-V183 HydrophobicContact CD1-CG1 4.21Å; F49-V183 HydrophobicContact CD2-CG1 3.71Å; F49-V183 HydrophobicContact CE2-CG1 4.42Å; F49-V183 HydrophobicContact CG-CG1 3.61Å; F49-K184 HydrophobicContact CE2-CG 4.38Å; F49-K184 HydrophobicContact CZ-CG 3.93Å
50G93.1Very high94.5Very high28 Ų2890.5 Ų90.529%0.28948%0.48SS..Hα-helixtrans-71.2-26.2178.500000115.2A46 Q47 Q52 L90A46-G50 PolarHBondContact O-N 3.26Å; Q47-G50 PolarHBondContact O-N 2.85Å; G50-Q52 PolarHBondContact O-N 3.31Å; G50-L90 WeakPolarHBondContact CA-O 3.25Å
51N95.1Very high94.3Very high116 Ų11688.8 Ų88.862%0.6248%0.478SS*.THydrogen-bonded Turntrans-77.75.6178.7-71.6-23000113.5Q47Q47-N51 WeakPolarHBondContact O-CB 3.28Å; Q47-N51 PolarHBondContact O-N 2.99Å; Q47-N51 PolarHBondContact O-ND2 3.49Å
52Q92.9Very high94.3Very high134 Ų13491.1 Ų91.163%0.62648%0.478SS*.  trans-70.2139.2176.6-66.5179.711.100111.2F49 G50F49-Q52 WeakPolarHBondContact O-CB 3.33Å; F49-Q52 VanDerWaalsContact O-CG 3.24Å; F49-Q52 WeakPolarHBondContact O-CG 3.42Å; F49-Q52 PolarHBondContact O-N 3.28Å; G50-Q52 PolarHBondContact O-N 3.31Å
53L93.7Very high94.3Very high180 Ų18090.8 Ų90.894%0.94248%0.476SS*.  trans-76.9131-179.4-66.3165000110.4
54I93.8Very high94.3Very high94 Ų9490 Ų9048%0.48247%0.47SS..  trans-115.5137.3173-169.9170.6000109.9A58 V60I54-A58 HydrophobicContact CD1-CB 3.87Å; I54-A58 HydrophobicContact CG1-CB 3.65Å; I54-V60 HydrophobicContact CD1-CG1 4.43Å
55P94.2Very high94.3Very high71 Ų7184.8 Ų84.846%0.46145%0.446SS..  trans-58.1145.3170.7-26.536.3000111.7N57 A58P55-N57 WeakPolarHBondContact CB-OD1 3.36Å; P55-N57 PolarHBondContact O-N 3.47Å; P55-N57 VanDerWaalsContact O-N 3.07Å; P55-A58 HydrophobicContact CB-CB 4.26Å; P55-A58 HydrophobicContact CG-CB 4.49Å; P55-A58 PolarHBondContact O-N 2.61Å
56P92.1Very high94.3Very high143 Ų14381.8 Ų81.893%0.92943%0.432SS*.THydrogen-bonded Turntrans-65.8-16.6-176.427.3-35.7000113.9
57N92.6Very high94.3Very high138 Ų13881.8 Ų81.874%0.73843%0.432SS*.THydrogen-bonded Turntrans-93.5-10.4176.462.7-22000113.7P55P55-N57 WeakPolarHBondContact CB-OD1 3.36Å; P55-N57 PolarHBondContact O-N 3.47Å; P55-N57 VanDerWaalsContact O-N 3.07Å
58A91.3Very high94.2Very high44 Ų4479 Ų7936%0.36442%0.42SS..SBendtrans-85.6143177.300000110.2I54 P55I54-A58 HydrophobicContact CD1-CB 3.87Å; I54-A58 HydrophobicContact CG1-CB 3.65Å; P55-A58 HydrophobicContact CB-CB 4.26Å; P55-A58 HydrophobicContact CG-CB 4.49Å; P55-A58 PolarHBondContact O-N 2.61Å
59Q90.3Very high94.1Very high161 Ų16173.8 Ų73.875%0.75240%0.398SS*.PPolyproline II helixtrans-87.9144.2179-67.7-68.4-28.500110.1
60V92.5Very high93.9Very high64 Ų6474.4 Ų74.439%0.38841%0.414SS..PPolyproline II helixtrans-70.3146.8171.2-65.40000110I54 K62 D94I54-V60 HydrophobicContact CD1-CG1 4.43Å; V60-K62 PolarHBondContact O-N 2.94Å; V60-D94 HydrophobicContact CG2-CB 3.99Å
61K93.6Very high93.4Very high135 Ų13573.8 Ų73.859%0.58741%0.406SS*.PPolyproline II helixtrans-66.8131.4176.4-67.5-178-177.91780109.8M93 D94 D117K61-M93 HydrophobicContact CB-CE 4.07Å; K61-M93 HydrophobicContact CB-CG 4.41Å; K61-M93 WeakPolarHBondContact O-CA 3.18Å; K61-D94 PolarHBondContact O-N 3.5Å; K61-D117 WeakPolarHBondContact CA-OD2 3.41Å
62K95.8Very high93Very high100 Ų10070 Ų7044%0.43539%0.389SS..EExtended strand (participates in β ladder)trans-94.5126.5176.8-62.7-177179.3-176.50110.8V60 D94 D117 V118V60-K62 PolarHBondContact O-N 2.94Å; K62-D94 WeakPolarHBondContact CA-O 3.41Å; K62-D94 HydrophobicContact CG-CB 4.32Å; K62-D117 PolarHBondContact N-OD2 3.2Å; K62-D117 PolarHBondContact O-N 2.72Å; K62-V118 PolarHBondContact O-N 3.39Å; K62-V118 VanDerWaalsContact O-N 3.11Å
63A96.5Very high92.6Very high1 Ų170.8 Ų70.81%0.00839%0.39CS..EExtended strand (participates in β ladder)trans-117.2132.6174.400000111M93 D94 V95 T96 V118 I120A63-M93 HydrophobicContact CB-CE 3.75Å; A63-D94 PolarHBondContact N-O 2.92Å; A63-V95 HydrophobicContact CB-CG2 4.42Å; A63-V95 WeakPolarHBondContact O-CA 3.31Å; A63-T96 PolarHBondContact O-N 3.36Å; A63-V118 WeakPolarHBondContact CA-O 3.33Å; A63-V118 HydrophobicContact CB-CB 4.28Å; A63-I120 HydrophobicContact CB-CD1 4.13Å
64T97.1Very high92.3Very high13 Ų1364.4 Ų64.48%0.0837%0.368CS..EExtended strand (participates in β ladder)trans-111.8123.6171-60.30000110.5F66 T96 V98 M113 V118 I120T64-F66 HydrophobicContact CG2-CD2 4.41Å; T64-F66 HydrophobicContact CG2-CE2 3.81Å; T64-F66 HydrophobicContact CG2-CZ 4.24Å; T64-T96 CarbonylContact C-O 3.53Å; T64-T96 WeakPolarHBondContact CA-O 3.33Å; T64-V98 HydrophobicContact CG2-CG2 4.03Å; T64-M113 HydrophobicContact CG2-CE 3.7Å; T64-M113 HydrophobicContact CG2-SD 4.02Å; T64-M113 VanDerWaalsContact OG1-CE 3.22Å; T64-M113 WeakPolarHBondContact OG1-CE 3.48Å; T64-V118 PolarHBondContact N-O 2.96Å; T64-I120 PolarHBondContact O-N 2.83Å
65V97.5Very high92.2Very high0 Ų066.3 Ų66.30%037%0.373CS..EExtended strand (participates in β ladder)trans-102.5120.3-178.2-172.30000109.9F80 L88 V95 T96 I97 V98 I120 A122V65-F80 HydrophobicContact CG1-CE2 3.93Å; V65-F80 HydrophobicContact CG1-CZ 3.76Å; V65-F80 HydrophobicContact CG2-CZ 4.48Å; V65-L88 HydrophobicContact CG2-CD1 4.12Å; V65-V95 HydrophobicContact CG2-CG1 3.67Å; V65-T96 PolarHBondContact N-O 2.72Å; V65-I97 HydrophobicContact CB-CG1 4.21Å; V65-I97 HydrophobicContact CG2-CG1 4.27Å; V65-V98 PolarHBondContact O-N 3.45Å; V65-V98 VanDerWaalsContact O-O 3.12Å; V65-I120 CarbonylContact C-O 3.52Å; V65-I120 VanDerWaalsContact CA-O 3.28Å; V65-I120 WeakPolarHBondContact CA-O 3.43Å; V65-I120 HydrophobicContact CB-CB 4.41Å; V65-I120 HydrophobicContact CG1-CB 4.34Å; V65-I120 HydrophobicContact CG1-CG2 4.22Å; V65-I120 HydrophobicContact CG2-CB 4.05Å; V65-I120 HydrophobicContact CG2-CD1 4.23Å; V65-I120 HydrophobicContact CG2-CG2 4.45Å; V65-A122 HydrophobicContact CG1-CB 4.18Å
66F97.1Very high92.1Very high0 Ų063 Ų630%035%0.351CS..EExtended strand (participates in β ladder)trans-92.9106.4168.1-70.9-91.4000109.5T64 T100 A106 L109 L110 M113 I119 I120 A122 V131T64-F66 HydrophobicContact CG2-CD2 4.41Å; T64-F66 HydrophobicContact CG2-CE2 3.81Å; T64-F66 HydrophobicContact CG2-CZ 4.24Å; F66-T100 HydrophobicContact CD1-CG2 4.46Å; F66-A106 HydrophobicContact CD1-CB 4.11Å; F66-L109 HydrophobicContact CE1-CB 4.34Å; F66-L109 HydrophobicContact CE1-CD2 3.85Å; F66-L109 HydrophobicContact CE1-CG 4.29Å; F66-L109 HydrophobicContact CZ-CD2 4.4Å; F66-L110 HydrophobicContact CD2-CD1 4.32Å; F66-L110 HydrophobicContact CE1-CD1 4.17Å; F66-L110 HydrophobicContact CE2-CD1 3.29Å; F66-L110 HydrophobicContact CZ-CD1 3.22Å; F66-L110 HydrophobicContact CZ-CG 4.47Å; F66-M113 HydrophobicContact CE2-SD 3.9Å; F66-M113 HydrophobicContact CZ-SD 3.76Å; F66-I119 HydrophobicContact CD2-CG2 4.05Å; F66-I119 HydrophobicContact CE2-CG2 4.17Å; F66-I120 PolarHBondContact N-O 2.83Å; F66-A122 PolarHBondContact O-N 3.32Å; F66-V131 HydrophobicContact CB-CG2 4.06Å; F66-V131 HydrophobicContact CD2-CG2 4.37Å; F66-V131 HydrophobicContact CG-CG2 4.05Å
67L96.7Very high92.3Very high0 Ų062.2 Ų62.20%033%0.33CS..EExtended strand (participates in β ladder)trans-105.3123179.3173.564000110.1P69 F80 I97 V98 K99 T100 A122 L154L67-P69 VanDerWaalsContact O-CD 3.26Å; L67-P69 WeakPolarHBondContact O-CD 3.49Å; L67-F80 HydrophobicContact CD1-CB 3.94Å; L67-F80 HydrophobicContact CD1-CG 4.06Å; L67-F80 HydrophobicContact CD2-CB 4.46Å; L67-F80 HydrophobicContact CD2-CD1 3.96Å; L67-F80 HydrophobicContact CD2-CG 4.32Å; L67-I97 HydrophobicContact CB-CG2 4.44Å; L67-V98 PolarHBondContact N-O 2.77Å; L67-K99 HydrophobicContact CD2-CG 4.3Å; L67-K99 WeakPolarHBondContact O-CA 3.23Å; L67-T100 PolarHBondContact O-N 3.37Å; L67-T100 PolarHBondContact O-OG1 2.85Å; L67-A122 HydrophobicContact CB-CB 4.43Å; L67-A122 HydrophobicContact CD1-CB 3.82Å; L67-L154 HydrophobicContact CD1-CD1 3.76Å
68N94.5Very high92.4Very high35 Ų3559.2 Ų59.219%0.18732%0.316CS..  trans-92.2104.2167.1-179.9-10.4000110.1A70 A71 A76 T100 A122 T127N68-A70 VanDerWaalsContact C-N 3.3Å; N68-A70 PolarHBondContact O-N 3.34Å; N68-A70 WeakPolarHBondContact OD1-CB 3.22Å; N68-A70 PolarHBondContact OD1-N 3.12Å; N68-A71 HydrophobicContact CB-CB 4.26Å; N68-A71 WeakPolarHBondContact O-CB 3.15Å; N68-A71 PolarHBondContact O-N 2.79Å; N68-A71 PolarHBondContact OD1-N 2.88Å; N68-A76 VanDerWaalsContact O-CB 3.29Å; N68-A76 WeakPolarHBondContact O-CB 3.41Å; N68-T100 WeakPolarHBondContact CA-OG1 3.35Å; N68-A122 PolarHBondContact N-O 3.4Å; N68-A122 VanDerWaalsContact N-O 3.16Å; N68-T127 HydrophobicContact CB-CG2 3.92Å; N68-T127 PolarHBondContact ND2-OG1 2.93Å; N68-T127 VanDerWaalsContact ND2-OG1 3.08Å
69P92.6Very high92.6Very high31 Ų3159 Ų5920%0.20131%0.309CS..THydrogen-bonded Turntrans-68.2-29-177.8-19.235.4000113.2L67 A71 G74 R77 K99 T100L67-P69 VanDerWaalsContact O-CD 3.26Å; L67-P69 WeakPolarHBondContact O-CD 3.49Å; P69-A71 VanDerWaalsContact C-N 3.28Å; P69-A71 PolarHBondContact O-N 2.85Å; P69-G74 CarbonylContact O-C 3.21Å; P69-G74 WeakPolarHBondContact O-CA 3.4Å; P69-R77 HydrophobicContact CB-CB 4.2Å; P69-K99 HydrophobicContact CG-CB 4.2Å; P69-K99 HydrophobicContact CG-CG 4.33Å; P69-T100 WeakPolarHBondContact CD-O 3.44Å
70A88.6Confident92.9Very high74 Ų7451.4 Ų51.461%0.61227%0.273SS*.THydrogen-bonded Turntrans-75-18.5-177.600000112.8N68 G74N68-A70 VanDerWaalsContact C-N 3.3Å; N68-A70 PolarHBondContact O-N 3.34Å; N68-A70 WeakPolarHBondContact OD1-CB 3.22Å; N68-A70 PolarHBondContact OD1-N 3.12Å; A70-G74 PolarHBondContact O-N 3.46Å
71A84Confident93.1Very high15 Ų1552 Ų5212%0.12427%0.272CS..Hα-helixtrans-56.5153.8175.900000112.5N68 P69 K73 G74 K75 A76N68-A71 HydrophobicContact CB-CB 4.26Å; N68-A71 WeakPolarHBondContact O-CB 3.15Å; N68-A71 PolarHBondContact O-N 2.79Å; N68-A71 PolarHBondContact OD1-N 2.88Å; P69-A71 VanDerWaalsContact C-N 3.28Å; P69-A71 PolarHBondContact O-N 2.85Å; A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 3.39Å; A71-G74 PolarHBondContact O-N 3.07Å; A71-K75 PolarHBondContact O-N 2.86Å; A71-A76 HydrophobicContact CB-CB 3.81Å; A71-A76 VanDerWaalsContact O-CB 3.28Å; A71-A76 WeakPolarHBondContact O-CB 3.45Å; A71-A76 PolarHBondContact O-N 2.93Å
72C85.3Confident93.2Very high36 Ų3652.3 Ų52.324%0.24327%0.273CS..Hα-helixtrans52.845.7-179-158.30000113.4G74 K75 L154C72-G74 VanDerWaalsContact C-N 3.32Å; C72-G74 PolarHBondContact O-N 3.3Å; C72-K75 PolarHBondContact O-N 3.4Å; C72-L154 VanDerWaalsContact CB-O 3.23Å; C72-L154 WeakPolarHBondContact CB-O 3.43Å
73K85.3Confident93.3Very high152 Ų15247.7 Ų47.766%0.66125%0.253SS*.Hα-helixtrans59.641.6179.6-53.7167.3-173.2142.80111.8A71 K75 E156A71-K73 VanDerWaalsContact C-N 3.33Å; A71-K73 PolarHBondContact O-N 3.39Å; K73-K75 VanDerWaalsContact C-N 3.3Å; K73-K75 PolarHBondContact O-N 3.27Å; K73-E156 WeakPolarHBondContact CE-OE2 3.29Å; K73-E156 IonicContact NZ-OE1 3.36Å; K73-E156 IonicContact NZ-OE2 2.79Å; K73-E156 PolarHBondContact NZ-OE2 3.19Å
74G86.9Confident93.3Very high46 Ų4647.6 Ų47.647%0.47425%0.253SS..Hα-helixtrans75.97.4178.200000115.8P69 A70 A71 C72P69-G74 CarbonylContact O-C 3.21Å; P69-G74 WeakPolarHBondContact O-CA 3.4Å; A70-G74 PolarHBondContact O-N 3.46Å; A71-G74 PolarHBondContact O-N 3.07Å; C72-G74 VanDerWaalsContact C-N 3.32Å; C72-G74 PolarHBondContact O-N 3.3Å
75K91.1Very high93.3Very high134 Ų13447.2 Ų47.258%0.58325%0.25SS*.THydrogen-bonded Turntrans-92.3-13.2-178.7-64.7-179-178.7178.10113.5A71 C72 K73 R77 T78 L79A71-K75 PolarHBondContact O-N 2.86Å; C72-K75 PolarHBondContact O-N 3.4Å; K73-K75 VanDerWaalsContact C-N 3.3Å; K73-K75 PolarHBondContact O-N 3.27Å; K75-R77 VanDerWaalsContact C-N 3.33Å; K75-R77 PolarHBondContact O-N 3.17Å; K75-T78 PolarHBondContact O-N 3.32Å; K75-T78 VanDerWaalsContact O-N 3.1Å; K75-T78 PolarHBondContact O-OG1 3.44Å; K75-L79 HydrophobicContact CB-CD1 4.31Å; K75-L79 WeakPolarHBondContact O-CG 3.12Å; K75-L79 PolarHBondContact O-N 3.28Å
76A92.9Very high93.4Very high0 Ų049.4 Ų49.40%027%0.265CS..Hα-helixtrans-53.2-45.6-174.700000112.9N68 A71 T78 L79 F80 L154N68-A76 VanDerWaalsContact O-CB 3.29Å; N68-A76 WeakPolarHBondContact O-CB 3.41Å; A71-A76 HydrophobicContact CB-CB 3.81Å; A71-A76 VanDerWaalsContact O-CB 3.28Å; A71-A76 WeakPolarHBondContact O-CB 3.45Å; A71-A76 PolarHBondContact O-N 2.93Å; A76-T78 PolarHBondContact O-N 3.05Å; A76-L79 PolarHBondContact O-N 3.46Å; A76-F80 WeakPolarHBondContact O-CB 3.06Å; A76-F80 PolarHBondContact O-N 3.19Å; A76-L154 HydrophobicContact CB-CB 4.15Å; A76-L154 HydrophobicContact CB-CD1 3.92Å
77R95.5Very high93.4Very high128 Ų12849.5 Ų49.548%0.48327%0.265SS..Hα-helixtrans-54.8-52.3176.3-178.9178.8176.3-177.8-1.8112P69 K75 L79 F80 E81P69-R77 HydrophobicContact CB-CB 4.2Å; K75-R77 VanDerWaalsContact C-N 3.33Å; K75-R77 PolarHBondContact O-N 3.17Å; R77-L79 VanDerWaalsContact C-N 3.28Å; R77-L79 PolarHBondContact O-N 3.45Å; R77-F80 PolarHBondContact O-N 3.21Å; R77-E81 HydrophobicContact CG-CG 4.24Å; R77-E81 WeakPolarHBondContact O-CB 3.36Å; R77-E81 WeakPolarHBondContact O-CG 3.41Å; R77-E81 PolarHBondContact O-N 2.8Å
78T95.1Very high93.4Very high75 Ų7549.5 Ų49.546%0.4627%0.265SS..Hα-helixtrans-66.6-31.1-178.264.30000113.1K75 A76 K82K75-T78 PolarHBondContact O-N 3.32Å; K75-T78 VanDerWaalsContact O-N 3.1Å; K75-T78 PolarHBondContact O-OG1 3.44Å; A76-T78 PolarHBondContact O-N 3.05Å; T78-K82 WeakPolarHBondContact O-CB 3.48Å; T78-K82 WeakPolarHBondContact O-CD 3.33Å; T78-K82 VanDerWaalsContact O-CG 3.24Å; T78-K82 WeakPolarHBondContact O-CG 3.4Å; T78-K82 PolarHBondContact O-N 3.18Å
79L95.3Very high93.5Very high40 Ų4052.9 Ų52.921%0.20928%0.28CS..Hα-helixtrans-71.2-44.5175.9-72.3170.6000111.2K75 A76 R77 K82 N83 L154 I175K75-L79 HydrophobicContact CB-CD1 4.31Å; K75-L79 WeakPolarHBondContact O-CG 3.12Å; K75-L79 PolarHBondContact O-N 3.28Å; A76-L79 PolarHBondContact O-N 3.46Å; R77-L79 VanDerWaalsContact C-N 3.28Å; R77-L79 PolarHBondContact O-N 3.45Å; L79-K82 PolarHBondContact O-N 2.97Å; L79-N83 VanDerWaalsContact O-CB 3.26Å; L79-N83 WeakPolarHBondContact O-CB 3.17Å; L79-N83 VanDerWaalsContact O-CG 3.28Å; L79-N83 PolarHBondContact O-N 2.81Å; L79-N83 PolarHBondContact O-ND2 3.02Å; L79-L154 HydrophobicContact CB-CD2 4.19Å; L79-I175 HydrophobicContact CB-CD1 4.43Å
80F97.2Very high93.8Very high0 Ų054.7 Ų54.70%029%0.287CS..Hα-helixtrans-61.3-53.7178178.7-98.7000111.5V65 L67 A76 R77 K82 N83 A84 A85 L88 I97 A122 I152 L154V65-F80 HydrophobicContact CG1-CE2 3.93Å; V65-F80 HydrophobicContact CG1-CZ 3.76Å; V65-F80 HydrophobicContact CG2-CZ 4.48Å; L67-F80 HydrophobicContact CD1-CB 3.94Å; L67-F80 HydrophobicContact CD1-CG 4.06Å; L67-F80 HydrophobicContact CD2-CB 4.46Å; L67-F80 HydrophobicContact CD2-CD1 3.96Å; L67-F80 HydrophobicContact CD2-CG 4.32Å; A76-F80 WeakPolarHBondContact O-CB 3.06Å; A76-F80 PolarHBondContact O-N 3.19Å; R77-F80 PolarHBondContact O-N 3.21Å; F80-K82 PolarHBondContact O-N 3.39Å; F80-N83 PolarHBondContact O-N 3.03Å; F80-A84 HydrophobicContact CD2-CB 3.8Å; F80-A84 HydrophobicContact CE2-CB 3.9Å; F80-A84 PolarHBondContact O-N 2.92Å; F80-A85 HydrophobicContact CD1-CB 4.21Å; F80-A85 HydrophobicContact CE1-CB 3.82Å; F80-A85 HydrophobicContact CZ-CB 4.32Å; F80-A85 PolarHBondContact O-N 2.85Å; F80-L88 HydrophobicContact CE2-CD1 4.22Å; F80-L88 HydrophobicContact CZ-CD1 4.04Å; F80-I97 HydrophobicContact CE1-CD1 3.91Å; F80-I97 HydrophobicContact CE1-CG1 4.34Å; F80-I97 HydrophobicContact CE1-CG2 4.45Å; F80-I97 HydrophobicContact CZ-CD1 4.47Å; F80-A122 HydrophobicContact CD2-CB 3.75Å; F80-A122 HydrophobicContact CE2-CB 3.99Å; F80-I152 HydrophobicContact CD2-CD1 4.38Å; F80-I152 HydrophobicContact CE2-CD1 3.87Å; F80-L154 HydrophobicContact CB-CD1 3.96Å
81E96.6Very high94Very high76 Ų7651.8 Ų51.836%0.35526%0.262SS..Hα-helixtrans-60.4-30.3-177.2-62.8-78.2-172.200112.4R77 P86R77-E81 HydrophobicContact CG-CG 4.24Å; R77-E81 WeakPolarHBondContact O-CB 3.36Å; R77-E81 WeakPolarHBondContact O-CG 3.41Å; R77-E81 PolarHBondContact O-N 2.8Å; E81-P86 WeakPolarHBondContact O-CD 3.31Å
82K96.2Very high94.5Very high142 Ų14253.1 Ų53.162%0.61728%0.278SS*.Hα-helixtrans-88.8-34.3-179.3-73.4-179.7178.1179.40114.5T78 L79 F80T78-K82 WeakPolarHBondContact O-CB 3.48Å; T78-K82 WeakPolarHBondContact O-CD 3.33Å; T78-K82 VanDerWaalsContact O-CG 3.24Å; T78-K82 WeakPolarHBondContact O-CG 3.4Å; T78-K82 PolarHBondContact O-N 3.18Å; L79-K82 PolarHBondContact O-N 2.97Å; F80-K82 PolarHBondContact O-N 3.39Å
83N96.7Very high94.9Very high3 Ų352.9 Ų52.92%0.01627%0.274CS..Hα-helixtrans-111.2-28.2-166.8-53.7-40.2000113R39 L79 F80 I87 I175 T176R39-N83 VanDerWaalsContact CZ-OD1 3.29Å; R39-N83 PolarHBondContact NE-OD1 3.49Å; R39-N83 PolarHBondContact NH2-OD1 3.23Å; L79-N83 VanDerWaalsContact O-CB 3.26Å; L79-N83 WeakPolarHBondContact O-CB 3.17Å; L79-N83 VanDerWaalsContact O-CG 3.28Å; L79-N83 PolarHBondContact O-N 2.81Å; L79-N83 PolarHBondContact O-ND2 3.02Å; F80-N83 PolarHBondContact O-N 3.03Å; N83-I87 VanDerWaalsContact O-CD1 3.25Å; N83-I87 WeakPolarHBondContact O-CD1 3.29Å; N83-I175 HydrophobicContact CB-CB 4.42Å; N83-I175 HydrophobicContact CB-CG2 3.82Å; N83-T176 HydrophobicContact CB-CG2 4.38Å
84A97.3Very high95.4Very high0 Ų049.4 Ų49.40%026%0.262CS..THydrogen-bonded Turntrans-117.5-44.3-172.500000113F80 P86 I87 L88 I152 I175 T179F80-A84 HydrophobicContact CD2-CB 3.8Å; F80-A84 HydrophobicContact CE2-CB 3.9Å; F80-A84 PolarHBondContact O-N 2.92Å; A84-P86 VanDerWaalsContact C-CD 3.5Å; A84-I87 WeakPolarHBondContact O-CB 3.28Å; A84-I87 PolarHBondContact O-N 3.28Å; A84-L88 PolarHBondContact O-N 2.79Å; A84-L88 VanDerWaalsContact O-N 3.15Å; A84-I152 HydrophobicContact CB-CD1 4.15Å; A84-I152 HydrophobicContact CB-CG2 4.43Å; A84-I175 HydrophobicContact CB-CG2 4.15Å; A84-T179 HydrophobicContact CB-CG2 4.02Å; A84-T179 VanDerWaalsContact CB-OG1 3.28Å; A84-T179 WeakPolarHBondContact CB-OG1 3.46Å
85A97.6Very high95.9Very high4 Ų448.1 Ų48.13%0.03325%0.245CC..Hα-helixtrans-55.1-42.9-176.400000113.9F80 I87 L88 H89F80-A85 HydrophobicContact CD1-CB 4.21Å; F80-A85 HydrophobicContact CE1-CB 3.82Å; F80-A85 HydrophobicContact CZ-CB 4.32Å; F80-A85 PolarHBondContact O-N 2.85Å; A85-I87 VanDerWaalsContact C-N 3.31Å; A85-I87 PolarHBondContact O-N 3.18Å; A85-L88 PolarHBondContact O-N 3.16Å; A85-H89 PolarHBondContact O-CD2 3.46Å; A85-H89 PolarHBondContact O-N 3.38Å
86P97.9Very high96.2Very high46 Ų4645.2 Ų45.230%0.29924%0.239SC..Hα-helixtrans-62-38177.4-23.635.4000113.1E81 A84 H89 L90E81-P86 WeakPolarHBondContact O-CD 3.31Å; A84-P86 VanDerWaalsContact C-CD 3.5Å; P86-H89 PolarHBondContact O-N 3.05Å; P86-L90 WeakPolarHBondContact O-CB 3.27Å; P86-L90 WeakPolarHBondContact O-CG 3.24Å; P86-L90 PolarHBondContact O-N 2.78Å
87I98.1Very high96.3Very high2 Ų247.7 Ų47.71%0.0125%0.252CS..Hα-helixtrans-64.1-45179.6-60.5175.8000109.7A42 A46 N83 A84 A85 L90 S91 T176 T179 V183A42-I87 HydrophobicContact CB-CD1 3.8Å; A42-I87 HydrophobicContact CB-CG1 4.43Å; A46-I87 HydrophobicContact CB-CB 4.4Å; A46-I87 HydrophobicContact CB-CG2 3.8Å; N83-I87 VanDerWaalsContact O-CD1 3.25Å; N83-I87 WeakPolarHBondContact O-CD1 3.29Å; A84-I87 WeakPolarHBondContact O-CB 3.28Å; A84-I87 PolarHBondContact O-N 3.28Å; A85-I87 VanDerWaalsContact C-N 3.31Å; A85-I87 PolarHBondContact O-N 3.18Å; I87-L90 PolarHBondContact O-N 3.03Å; I87-S91 PolarHBondContact O-N 3.22Å; I87-S91 VanDerWaalsContact O-N 3.16Å; I87-T176 HydrophobicContact CD1-CG2 4.1Å; I87-T179 HydrophobicContact CB-CG2 3.93Å; I87-T179 HydrophobicContact CD1-CG2 4.48Å; I87-T179 HydrophobicContact CG2-CG2 3.81Å; I87-V183 HydrophobicContact CG2-CG2 4.05Å
88L97.5Very high96.3Very high1 Ų143.1 Ų43.11%0.00524%0.238CC..Hα-helixtrans-66.8-37.1179-65.8177.1000112.9V65 F80 A84 A85 S91 V95 I120 I152 T179V65-L88 HydrophobicContact CG2-CD1 4.12Å; F80-L88 HydrophobicContact CE2-CD1 4.22Å; F80-L88 HydrophobicContact CZ-CD1 4.04Å; A84-L88 PolarHBondContact O-N 2.79Å; A84-L88 VanDerWaalsContact O-N 3.15Å; A85-L88 PolarHBondContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 3.06Å; L88-V95 HydrophobicContact CB-CG1 4.43Å; L88-V95 HydrophobicContact CB-CG2 4.08Å; L88-V95 HydrophobicContact CD1-CG1 4.49Å; L88-I120 HydrophobicContact CD1-CD1 4.14Å; L88-I120 HydrophobicContact CD2-CD1 3.82Å; L88-I152 HydrophobicContact CD1-CD1 4.43Å; L88-T179 HydrophobicContact CD1-CG2 4.43Å; L88-T179 HydrophobicContact CD2-CG2 3.71Å; L88-T179 HydrophobicContact CG-CG2 3.72Å
89H96.8Very high96.3Very high106 Ų10643.1 Ų43.149%0.49123%0.232SC..Hα-helixtrans-74.3-28.1177.2-70.6-52.4000113A85 P86A85-H89 PolarHBondContact O-CD2 3.46Å; A85-H89 PolarHBondContact O-N 3.38Å; P86-H89 PolarHBondContact O-N 3.05Å
90L97.1Very high96.3Very high68 Ų6841.7 Ų41.736%0.35622%0.224SC..Hα-helixtrans-80-17176.4-70.3172.6000113.3C43 A46 G50 P86 I87 G92C43-L90 HydrophobicContact CB-CD1 3.77Å; A46-L90 HydrophobicContact CB-CB 4.15Å; G50-L90 WeakPolarHBondContact CA-O 3.25Å; P86-L90 WeakPolarHBondContact O-CB 3.27Å; P86-L90 WeakPolarHBondContact O-CG 3.24Å; P86-L90 PolarHBondContact O-N 2.78Å; I87-L90 PolarHBondContact O-N 3.03Å; L90-G92 PolarHBondContact O-N 3.36Å
91S94.6Very high96Very high13 Ų1347.9 Ų47.99%0.09126%0.257CS..THydrogen-bonded Turntrans-77.4-1.4-175.867.30000115.1I87 L88I87-S91 PolarHBondContact O-N 3.22Å; I87-S91 VanDerWaalsContact O-N 3.16Å; L88-S91 PolarHBondContact O-OG 3.06Å
92G93Very high95.7Very high44 Ų4450.3 Ų50.345%0.45426%0.264SS..THydrogen-bonded Turntrans77.622.2179.600000114.6L90L90-G92 PolarHBondContact O-N 3.36Å
93M94.8Very high95.2Very high30 Ų3051 Ų5115%0.14827%0.269CS..  trans-99.2150.2174.8-59.2177.678.600111.2K61 A63 V95 V118K61-M93 HydrophobicContact CB-CE 4.07Å; K61-M93 HydrophobicContact CB-CG 4.41Å; K61-M93 WeakPolarHBondContact O-CA 3.18Å; A63-M93 HydrophobicContact CB-CE 3.75Å; M93-V95 HydrophobicContact CB-CG2 4Å; M93-V95 PolarHBondContact O-N 2.75Å; M93-V118 HydrophobicContact CE-CB 4.16Å; M93-V118 HydrophobicContact CE-CG2 3.82Å
94D95.8Very high94.7Very high80 Ų8051.5 Ų51.543%0.42828%0.276SS..EExtended strand (participates in β ladder)trans-82.7101.6168.3-17710.9000109V60 K61 K62 A63V60-D94 HydrophobicContact CG2-CB 3.99Å; K61-D94 PolarHBondContact O-N 3.5Å; K62-D94 WeakPolarHBondContact CA-O 3.41Å; K62-D94 HydrophobicContact CG-CB 4.32Å; A63-D94 PolarHBondContact N-O 2.92Å
95V97.1Very high94.4Very high19 Ų1953.4 Ų53.412%0.11529%0.285CS..EExtended strand (participates in β ladder)trans-103.3111-169.5-175.80000110.5A63 V65 L88 M93 I97A63-V95 HydrophobicContact CB-CG2 4.42Å; A63-V95 WeakPolarHBondContact O-CA 3.31Å; V65-V95 HydrophobicContact CG2-CG1 3.67Å; L88-V95 HydrophobicContact CB-CG1 4.43Å; L88-V95 HydrophobicContact CB-CG2 4.08Å; L88-V95 HydrophobicContact CD1-CG1 4.49Å; M93-V95 HydrophobicContact CB-CG2 4Å; M93-V95 PolarHBondContact O-N 2.75Å; V95-I97 HydrophobicContact CG1-CG1 4.18Å
96T96.4Very high94.1Very high73 Ų7353.2 Ų53.245%0.44828%0.283SS..EExtended strand (participates in β ladder)trans-99.1119.7172.5-62.90000110.3A63 T64 V65A63-T96 PolarHBondContact O-N 3.36Å; T64-T96 CarbonylContact C-O 3.53Å; T64-T96 WeakPolarHBondContact CA-O 3.33Å; V65-T96 PolarHBondContact N-O 2.72Å
97I96.5Very high93.7Very high52 Ų5252.8 Ų52.827%0.26728%0.277SS..EExtended strand (participates in β ladder)trans-100.6116.5-179.7-58.3161.5000110V65 L67 F80 V95V65-I97 HydrophobicContact CB-CG1 4.21Å; V65-I97 HydrophobicContact CG2-CG1 4.27Å; L67-I97 HydrophobicContact CB-CG2 4.44Å; F80-I97 HydrophobicContact CE1-CD1 3.91Å; F80-I97 HydrophobicContact CE1-CG1 4.34Å; F80-I97 HydrophobicContact CE1-CG2 4.45Å; F80-I97 HydrophobicContact CZ-CD1 4.47Å; V95-I97 HydrophobicContact CG1-CG1 4.18Å
98V95.4Very high93.4Very high32 Ų3258.5 Ų58.519%0.19430%0.302CS..EExtended strand (participates in β ladder)trans-102.9127172.7-175.70000109.2T64 V65 L67 L109T64-V98 HydrophobicContact CG2-CG2 4.03Å; V65-V98 PolarHBondContact O-N 3.45Å; V65-V98 VanDerWaalsContact O-O 3.12Å; L67-V98 PolarHBondContact N-O 2.77Å; V98-L109 HydrophobicContact CB-CD2 4.15Å; V98-L109 HydrophobicContact CG1-CD2 3.22Å; V98-L109 HydrophobicContact CG2-CD2 4.06Å
99K95.4Very high93.1Very high75 Ų7561.7 Ų61.733%0.32632%0.318SS..EExtended strand (participates in β ladder)trans-94.7132.5173-69166.5-175.7157.90109.3L67 P69L67-K99 HydrophobicContact CD2-CG 4.3Å; L67-K99 WeakPolarHBondContact O-CA 3.23Å; P69-K99 HydrophobicContact CG-CB 4.2Å; P69-K99 HydrophobicContact CG-CG 4.33Å
100T93.7Very high92.9Very high9 Ų956.6 Ų56.66%0.05530%0.295CS..PPolyproline II helixtrans-91.6132.8171.260.40000109.6F66 L67 N68 P69 A106F66-T100 HydrophobicContact CD1-CG2 4.46Å; L67-T100 PolarHBondContact O-N 3.37Å; L67-T100 PolarHBondContact O-OG1 2.85Å; N68-T100 WeakPolarHBondContact CA-OG1 3.35Å; P69-T100 WeakPolarHBondContact CD-O 3.44Å; T100-A106 HydrophobicContact CG2-CB 3.92Å
101D91.2Very high92.4Very high130 Ų13058.6 Ų58.670%0.69530%0.302SS*.  trans-96-32.8-179.3-56.4-52.4000111.5Q105D101-Q105 VanDerWaalsContact CB-OE1 3.28Å; D101-Q105 PolarHBondContact OD2-NE2 3.26Å
102Y90.1Very high92.1Very high128 Ų12865 Ų6550%0.50234%0.335SS..SBendtrans-147.2165.5-178.866.2-87.3000113Q105Y102-Q105 HydrophobicContact CD1-CB 4.2Å; Y102-Q105 HydrophobicContact CD2-CB 4.32Å; Y102-Q105 HydrophobicContact CE1-CB 3.96Å; Y102-Q105 HydrophobicContact CE1-CG 4.09Å; Y102-Q105 HydrophobicContact CE2-CB 4.07Å; Y102-Q105 HydrophobicContact CG-CB 4.37Å; Y102-Q105 VanDerWaalsContact O-CB 3.31Å; Y102-Q105 WeakPolarHBondContact O-CB 3.38Å; Y102-Q105 PolarHBondContact O-N 3.47Å
103E85.9Confident91.9Very high155 Ų15564.1 Ų64.172%0.72432%0.319SS*.THydrogen-bonded Turntrans-61.4132.2179.8-65.9171.318000111.7Q105E103-Q105 VanDerWaalsContact C-N 3.27Å; E103-Q105 PolarHBondContact O-N 2.87Å
104G86.4Confident91.5Very high15 Ų1570.7 Ų70.716%0.15535%0.349CS..THydrogen-bonded Turntrans81.2-3.5-178.400000114.8A106 K107 K108 E130G104-A106 VanDerWaalsContact C-N 3.34Å; G104-K107 WeakPolarHBondContact O-CB 3.22Å; G104-K107 PolarHBondContact O-N 3.24Å; G104-K108 PolarHBondContact O-N 3.42Å; G104-K108 VanDerWaalsContact O-N 3.16Å; G104-E130 WeakPolarHBondContact CA-OE2 3.39Å; G104-E130 PolarHBondContact N-OE1 2.98Å; G104-E130 PolarHBondContact N-OE2 3.21Å
105Q91.8Very high91Very high39 Ų3972.4 Ų72.418%0.18236%0.358CS..Hα-helixtrans-66-38.3172-175.1177.6-0.500111.6D101 Y102 E103 K107 K108 L109D101-Q105 VanDerWaalsContact CB-OE1 3.28Å; D101-Q105 PolarHBondContact OD2-NE2 3.26Å; Y102-Q105 HydrophobicContact CD1-CB 4.2Å; Y102-Q105 HydrophobicContact CD2-CB 4.32Å; Y102-Q105 HydrophobicContact CE1-CB 3.96Å; Y102-Q105 HydrophobicContact CE1-CG 4.09Å; Y102-Q105 HydrophobicContact CE2-CB 4.07Å; Y102-Q105 HydrophobicContact CG-CB 4.37Å; Y102-Q105 VanDerWaalsContact O-CB 3.31Å; Y102-Q105 WeakPolarHBondContact O-CB 3.38Å; Y102-Q105 PolarHBondContact O-N 3.47Å; E103-Q105 VanDerWaalsContact C-N 3.27Å; E103-Q105 PolarHBondContact O-N 2.87Å; Q105-K107 VanDerWaalsContact C-N 3.3Å; Q105-K107 PolarHBondContact O-N 3.49Å; Q105-K108 PolarHBondContact O-N 2.87Å; Q105-L109 WeakPolarHBondContact O-CB 3.14Å; Q105-L109 PolarHBondContact O-N 3.06Å
106A90.9Very high90.7Very high1 Ų172.3 Ų72.31%0.00836%0.358CS..Hα-helixtrans-58.4-46.8175.200000110.5F66 T100 G104 K108 L109 L110 E130 V131F66-A106 HydrophobicContact CD1-CB 4.11Å; T100-A106 HydrophobicContact CG2-CB 3.92Å; G104-A106 VanDerWaalsContact C-N 3.34Å; A106-K108 PolarHBondContact O-N 2.93Å; A106-L109 PolarHBondContact O-N 2.71Å; A106-L110 VanDerWaalsContact O-CB 3.27Å; A106-L110 WeakPolarHBondContact O-CB 3.46Å; A106-L110 PolarHBondContact O-N 2.87Å; A106-E130 HydrophobicContact CB-CB 4.23Å; A106-V131 HydrophobicContact CB-CG2 4.02Å
107K90.3Very high90.6Very high36 Ų3672.9 Ų72.916%0.15736%0.358CS..Hα-helixtrans-55.9-49.8178.2-169.7-179-59.3177.10112.1G104 Q105 L110 E111 T133G104-K107 WeakPolarHBondContact O-CB 3.22Å; G104-K107 PolarHBondContact O-N 3.24Å; Q105-K107 VanDerWaalsContact C-N 3.3Å; Q105-K107 PolarHBondContact O-N 3.49Å; K107-L110 PolarHBondContact O-N 3.37Å; K107-E111 PolarHBondContact O-N 2.94Å; K107-T133 HydrophobicContact CD-CG2 3.96Å; K107-T133 HydrophobicContact CG-CG2 4.41Å
108K90.8Very high90.6Very high123 Ų12370.7 Ų70.754%0.53535%0.347SS..Hα-helixtrans-66.3-43.1178.9-68.6177-174.5175.50112.8G104 Q105 A106 L110 E111G104-K108 PolarHBondContact O-N 3.42Å; G104-K108 VanDerWaalsContact O-N 3.16Å; Q105-K108 PolarHBondContact O-N 2.87Å; A106-K108 PolarHBondContact O-N 2.93Å; K108-L110 VanDerWaalsContact C-N 3.3Å; K108-L110 PolarHBondContact O-N 2.8Å; K108-E111 PolarHBondContact O-N 3.11Å
109L91.9Very high90.7Very high67 Ų6769.2 Ų69.235%0.35134%0.338SS..Hα-helixtrans-66.1-39.7179.9-176.962.9000110.6F66 V98 Q105 A106 E111 L112 M113F66-L109 HydrophobicContact CE1-CB 4.34Å; F66-L109 HydrophobicContact CE1-CD2 3.85Å; F66-L109 HydrophobicContact CE1-CG 4.29Å; F66-L109 HydrophobicContact CZ-CD2 4.4Å; V98-L109 HydrophobicContact CB-CD2 4.15Å; V98-L109 HydrophobicContact CG1-CD2 3.22Å; V98-L109 HydrophobicContact CG2-CD2 4.06Å; Q105-L109 WeakPolarHBondContact O-CB 3.14Å; Q105-L109 PolarHBondContact O-N 3.06Å; A106-L109 PolarHBondContact O-N 2.71Å; L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.03Å; L109-L112 CarbonylContact O-C 3.55Å; L109-L112 PolarHBondContact O-N 3.3Å; L109-L112 VanDerWaalsContact O-N 3.14Å; L109-M113 WeakPolarHBondContact O-CB 3.43Å; L109-M113 PolarHBondContact O-N 3.45Å
110L91.4Very high90.8Very high0 Ų065.6 Ų65.60%032%0.323CS..Hα-helixtrans-67.5-28.8179.7-148.877.1000112.7F66 A106 K107 K108 L112 M113 I119 V131 V135 R138F66-L110 HydrophobicContact CD2-CD1 4.32Å; F66-L110 HydrophobicContact CE1-CD1 4.17Å; F66-L110 HydrophobicContact CE2-CD1 3.29Å; F66-L110 HydrophobicContact CZ-CD1 3.22Å; F66-L110 HydrophobicContact CZ-CG 4.47Å; A106-L110 VanDerWaalsContact O-CB 3.27Å; A106-L110 WeakPolarHBondContact O-CB 3.46Å; A106-L110 PolarHBondContact O-N 2.87Å; K107-L110 PolarHBondContact O-N 3.37Å; K108-L110 VanDerWaalsContact C-N 3.3Å; K108-L110 PolarHBondContact O-N 2.8Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 2.84Å; L110-M113 HydrophobicContact CD1-SD 3.56Å; L110-M113 VanDerWaalsContact CD1-SD 3.56Å; L110-M113 PolarHBondContact O-N 3.18Å; L110-I119 HydrophobicContact CD1-CD1 4.41Å; L110-V131 HydrophobicContact CD2-CG1 3.89Å; L110-V131 WeakPolarHBondContact CD2-O 3.45Å; L110-V135 HydrophobicContact CD2-CB 4.1Å; L110-V135 HydrophobicContact CD2-CG2 3.25Å; L110-V135 HydrophobicContact CG-CG2 4.41Å; L110-R138 WeakPolarHBondContact O-CD 3.38Å; L110-R138 PolarHBondContact O-NH1 3.49Å
111E86.6Confident91Very high110 Ų11065.2 Ų65.251%0.51432%0.32SS..Hα-helixtrans-65.8-29.6173.1-169.9173-175.400112.7K107 K108 L109 R138K107-E111 PolarHBondContact O-N 2.94Å; K108-E111 PolarHBondContact O-N 3.11Å; L109-E111 VanDerWaalsContact C-N 3.27Å; L109-E111 PolarHBondContact O-N 3.03Å; E111-R138 PolarHBondContact O-NH1 2.97Å
112L87.9Confident91.2Very high147 Ų14759 Ų5977%0.7729%0.287SS*.Hα-helixtrans-99.5-5.5179.7-60.4175.5000113.5L109 L110L109-L112 CarbonylContact O-C 3.55Å; L109-L112 PolarHBondContact O-N 3.3Å; L109-L112 VanDerWaalsContact O-N 3.14Å; L110-L112 VanDerWaalsContact C-N 3.27Å; L110-L112 PolarHBondContact O-N 2.84Å
113M89.3Confident91.4Very high25 Ų2552.9 Ų52.912%0.12326%0.263CS..PPolyproline II helixtrans-69.7143.3-173.4-171.2175152.700111.4T64 F66 L109 L110 T116 R138T64-M113 HydrophobicContact CG2-CE 3.7Å; T64-M113 HydrophobicContact CG2-SD 4.02Å; T64-M113 VanDerWaalsContact OG1-CE 3.22Å; T64-M113 WeakPolarHBondContact OG1-CE 3.48Å; F66-M113 HydrophobicContact CE2-SD 3.9Å; F66-M113 HydrophobicContact CZ-SD 3.76Å; L109-M113 WeakPolarHBondContact O-CB 3.43Å; L109-M113 PolarHBondContact O-N 3.45Å; L110-M113 HydrophobicContact CD1-SD 3.56Å; L110-M113 VanDerWaalsContact CD1-SD 3.56Å; L110-M113 PolarHBondContact O-N 3.18Å; M113-T116 HydrophobicContact CE-CG2 3.25Å; M113-T116 WeakPolarHBondContact CE-OG1 3.14Å; M113-R138 PolarHBondContact O-NH1 3.19Å; M113-R138 PolarHBondContact O-NH2 3.44Å
114E86.3Confident91.7Very high169 Ų16946.1 Ų46.179%0.7924%0.235SC*.PPolyproline II helixtrans-75.4171.5172.9-61.4-175.3176.900111.8T116E114-T116 PolarHBondContact O-N 3.15Å
115N84.8Confident91.9Very high115 Ų11546.1 Ų46.162%0.61523%0.231SC*.PPolyproline II helixtrans-65.4133.2178.5-66.1-31.5000111.4F144N115-F144 VanDerWaalsContact OD1-CE2 3.23Å; N115-F144 WeakPolarHBondContact OD1-CE2 3.47Å
116T91.8Very high91.8Very high17 Ų1745.1 Ų45.110%0.10423%0.232CC..  trans-136156.6175.556.80000111M113 E114 I147M113-T116 HydrophobicContact CE-CG2 3.25Å; M113-T116 WeakPolarHBondContact CE-OG1 3.14Å; E114-T116 PolarHBondContact O-N 3.15Å; T116-I147 VanDerWaalsContact O-CD1 3.31Å; T116-I147 WeakPolarHBondContact O-CD1 3.4Å
117D94.8Very high91.9Very high85 Ų8545.5 Ų45.546%0.45523%0.234SC..SBendtrans-80.5-28.3-177.6-53.5-49.6000112.3K61 K62 P148K61-D117 WeakPolarHBondContact CA-OD2 3.41Å; K62-D117 PolarHBondContact N-OD2 3.2Å; K62-D117 PolarHBondContact O-N 2.72Å; D117-P148 WeakPolarHBondContact O-CD 3.38Å
118V96.1Very high92.2Very high7 Ų743.8 Ų43.84%0.04223%0.227CC..EExtended strand (participates in β ladder)trans-144.3135.1-178.1178.80000111K62 A63 T64 M93 I120 P148 F407K62-V118 PolarHBondContact O-N 3.39Å; K62-V118 VanDerWaalsContact O-N 3.11Å; A63-V118 WeakPolarHBondContact CA-O 3.33Å; A63-V118 HydrophobicContact CB-CB 4.28Å; T64-V118 PolarHBondContact N-O 2.96Å; M93-V118 HydrophobicContact CE-CB 4.16Å; M93-V118 HydrophobicContact CE-CG2 3.82Å; V118-I120 HydrophobicContact CG1-CD1 4.34Å; V118-I120 HydrophobicContact CG1-CG1 3.8Å; V118-P148 HydrophobicContact CG2-CG 4.32Å; V118-F407 HydrophobicContact CG1-CE2 3.67Å; V118-F407 HydrophobicContact CG1-CZ 4.24Å; V118-F407 HydrophobicContact CG2-CE2 4.37Å; V118-F407 HydrophobicContact CG2-CZ 4.14Å
119I97.3Very high92.3Very high0 Ų038 Ų380%020%0.201CC..EExtended strand (participates in β ladder)trans-108129.3170.1-62.1168.1000108.1F66 L110 V131 V135 F144 I147 P148 I149 G150F66-I119 HydrophobicContact CD2-CG2 4.05Å; F66-I119 HydrophobicContact CE2-CG2 4.17Å; L110-I119 HydrophobicContact CD1-CD1 4.41Å; I119-V131 HydrophobicContact CG2-CG1 3.92Å; I119-V135 HydrophobicContact CD1-CG2 4.1Å; I119-F144 HydrophobicContact CD1-CD1 4.37Å; I119-I147 HydrophobicContact CD1-CG2 4.22Å; I119-I147 HydrophobicContact CG1-CG2 4.08Å; I119-P148 PolarHBondContact N-O 2.88Å; I119-I149 CarbonylContact O-C 3.55Å; I119-I149 VanDerWaalsContact O-CA 3.26Å; I119-I149 WeakPolarHBondContact O-CA 3.42Å; I119-G150 PolarHBondContact O-N 2.81Å
120I97.9Very high92.5Very high0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-118.5129.8179.1-55.9179.8000108.9A63 T64 V65 F66 L88 V118 G150 I152 I182A63-I120 HydrophobicContact CB-CD1 4.13Å; T64-I120 PolarHBondContact O-N 2.83Å; V65-I120 CarbonylContact C-O 3.52Å; V65-I120 VanDerWaalsContact CA-O 3.28Å; V65-I120 WeakPolarHBondContact CA-O 3.43Å; V65-I120 HydrophobicContact CB-CB 4.41Å; V65-I120 HydrophobicContact CG1-CB 4.34Å; V65-I120 HydrophobicContact CG1-CG2 4.22Å; V65-I120 HydrophobicContact CG2-CB 4.05Å; V65-I120 HydrophobicContact CG2-CD1 4.23Å; V65-I120 HydrophobicContact CG2-CG2 4.45Å; F66-I120 PolarHBondContact N-O 2.83Å; L88-I120 HydrophobicContact CD1-CD1 4.14Å; L88-I120 HydrophobicContact CD2-CD1 3.82Å; V118-I120 HydrophobicContact CG1-CD1 4.34Å; V118-I120 HydrophobicContact CG1-CG1 3.8Å; I120-G150 CarbonylContact C-O 3.54Å; I120-G150 WeakPolarHBondContact CA-O 3.39Å; I120-I152 HydrophobicContact CG2-CD1 3.57Å; I120-I152 HydrophobicContact CG2-CG1 3.98Å; I120-I182 HydrophobicContact CD1-CD1 4.35Å; I120-I182 HydrophobicContact CD1-CG2 4Å; I120-I182 HydrophobicContact CG1-CD1 4.42Å; I120-I182 HydrophobicContact CG1-CG2 4.43Å; I120-I182 HydrophobicContact CG2-CD1 3.97Å
121V97Very high92.6Very high0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-109.5119.1176.3-171.70000109.9T127 L128 V131 I149 G150 F151 I152V121-T127 HydrophobicContact CG1-CG2 3.82Å; V121-L128 HydrophobicContact CB-CD1 4.2Å; V121-L128 HydrophobicContact CG1-CB 4.36Å; V121-L128 HydrophobicContact CG2-CD1 3.93Å; V121-V131 HydrophobicContact CG1-CG2 4.32Å; V121-V131 HydrophobicContact CG2-CB 3.83Å; V121-V131 HydrophobicContact CG2-CG1 3.7Å; V121-V131 HydrophobicContact CG2-CG2 3.83Å; V121-I149 HydrophobicContact CG2-CG2 4.17Å; V121-G150 PolarHBondContact N-O 3.03Å; V121-F151 HydrophobicContact CB-CD2 4.41Å; V121-I152 PolarHBondContact O-N 3.11Å
122A96.4Very high93.1Very high0 Ų030.1 Ų30.10%016%0.163CC..EExtended strand (participates in β ladder)trans-111.195.8178.300000109.9V65 F66 L67 N68 F80 I152 L154V65-A122 HydrophobicContact CG1-CB 4.18Å; F66-A122 PolarHBondContact O-N 3.32Å; L67-A122 HydrophobicContact CB-CB 4.43Å; L67-A122 HydrophobicContact CD1-CB 3.82Å; N68-A122 PolarHBondContact N-O 3.4Å; N68-A122 VanDerWaalsContact N-O 3.16Å; F80-A122 HydrophobicContact CD2-CB 3.75Å; F80-A122 HydrophobicContact CE2-CB 3.99Å; A122-I152 HydrophobicContact CB-CB 4.26Å; A122-L154 HydrophobicContact CB-CD1 3.85Å
123G93.6Very high93.4Very high0 Ų023.1 Ų23.10%013%0.126CC..EExtended strand (participates in β ladder)trans-178.5-152.3-170.500000114.3I152 L154 G155G123-I152 PolarHBondContact N-O 3.3Å; G123-L154 PolarHBondContact O-N 3.08Å; G123-G155 PolarHBondContact O-N 3.32Å; G123-G155 VanDerWaalsContact O-N 3.15Å
124G91.9Very high93.6Very high13 Ų1322 Ų2213%0.13412%0.121CC..  trans-107.8-172.3167.700000111.3G126 T127 L128G124-G126 VanDerWaalsContact C-N 3.32Å; G124-G126 PolarHBondContact O-N 3.07Å; G124-T127 PolarHBondContact O-N 2.8Å; G124-T127 VanDerWaalsContact O-N 3.15Å; G124-L128 PolarHBondContact O-N 3.45Å
125D90.6Very high94Very high14 Ų1414 Ų148%0.0758%0.084CC..Hα-helixtrans-60.2-38-175.3-56.5-26000112.4T127 L128 Q129 S158 S159 D386D125-T127 PolarHBondContact O-N 2.85Å; D125-L128 WeakPolarHBondContact O-CB 3.31Å; D125-L128 PolarHBondContact O-N 2.8Å; D125-Q129 WeakPolarHBondContact O-CB 3.14Å; D125-Q129 PolarHBondContact O-N 2.82Å; D125-S158 WeakPolarHBondContact OD1-CA 3.36Å; D125-S158 WeakPolarHBondContact OD1-CB 3.31Å; D125-S158 PolarHBondContact OD1-OG 3.29Å; D125-S158 WeakPolarHBondContact OD2-CA 3.27Å; D125-S159 PolarHBondContact OD2-N 2.9Å; D125-S159 VanDerWaalsContact OD2-N 3.08Å; D125-S159 PolarHBondContact OD2-OG 2.86Å; D125-D386 CarbonylContact C-O 3.58Å; D125-D386 HydrophobicContact CB-CB 4.46Å; D125-D386 WeakPolarHBondContact CB-O 3.41Å
126G90.9Very high94.5Very high19 Ų198.9 Ų8.920%0.1966%0.056CC..Hα-helixtrans-63.4-38.6175.800000114.1G124 L128 Q129 E130 D386G124-G126 VanDerWaalsContact C-N 3.32Å; G124-G126 PolarHBondContact O-N 3.07Å; G126-L128 VanDerWaalsContact C-N 3.3Å; G126-L128 PolarHBondContact O-N 2.85Å; G126-Q129 WeakPolarHBondContact O-CB 3.4Å; G126-Q129 PolarHBondContact O-N 2.68Å; G126-E130 PolarHBondContact O-N 3.07Å; G126-D386 PolarHBondContact N-O 3.14Å
127T93.2Very high94.5Very high8 Ų811 Ų115%0.0496%0.062CC..Hα-helixtrans-68.3-34.4175.3-53.50000111.4N68 V121 G124 D125 V131N68-T127 HydrophobicContact CB-CG2 3.92Å; N68-T127 PolarHBondContact ND2-OG1 2.93Å; N68-T127 VanDerWaalsContact ND2-OG1 3.08Å; V121-T127 HydrophobicContact CG1-CG2 3.82Å; G124-T127 PolarHBondContact O-N 2.8Å; G124-T127 VanDerWaalsContact O-N 3.15Å; D125-T127 PolarHBondContact O-N 2.85Å; T127-V131 WeakPolarHBondContact O-CG2 3.26Å; T127-V131 PolarHBondContact O-N 3.4Å
128L94.7Very high94.3Very high1 Ų18.4 Ų8.41%0.0055%0.046CC..Hα-helixtrans-66.8-43.6173.3178.262.9000111.6V121 G124 D125 G126 E130 V131 V132 I149 F151 L160 M206 F406V121-L128 HydrophobicContact CB-CD1 4.2Å; V121-L128 HydrophobicContact CG1-CB 4.36Å; V121-L128 HydrophobicContact CG2-CD1 3.93Å; G124-L128 PolarHBondContact O-N 3.45Å; D125-L128 WeakPolarHBondContact O-CB 3.31Å; D125-L128 PolarHBondContact O-N 2.8Å; G126-L128 VanDerWaalsContact C-N 3.3Å; G126-L128 PolarHBondContact O-N 2.85Å; L128-E130 VanDerWaalsContact C-N 3.31Å; L128-E130 PolarHBondContact O-N 3.07Å; L128-V131 PolarHBondContact O-N 3.06Å; L128-V132 HydrophobicContact CD1-CG2 4.07Å; L128-V132 HydrophobicContact CG-CG2 4.32Å; L128-V132 WeakPolarHBondContact O-CB 3.42Å; L128-V132 WeakPolarHBondContact O-CG2 3.41Å; L128-V132 PolarHBondContact O-N 3.43Å; L128-I149 HydrophobicContact CD1-CG2 4.27Å; L128-F151 HydrophobicContact CB-CD2 4.32Å; L128-F151 HydrophobicContact CB-CE2 4.14Å; L128-F151 HydrophobicContact CD1-CD2 4.38Å; L128-F151 HydrophobicContact CD2-CD2 4.05Å; L128-F151 HydrophobicContact CD2-CE2 4.23Å; L128-F151 HydrophobicContact CD2-CG 4.29Å; L128-F151 HydrophobicContact CG-CD2 4.49Å; L128-L160 HydrophobicContact CD2-CD1 3.32Å; L128-M206 HydrophobicContact CD2-CG 4.29Å; L128-M206 HydrophobicContact CG-CG 4.46Å; L128-F406 HydrophobicContact CD1-CE1 3.8Å; L128-F406 HydrophobicContact CD1-CZ 4Å; L128-F406 HydrophobicContact CD2-CE1 4Å; L128-F406 HydrophobicContact CD2-CZ 4.39Å; L128-F406 HydrophobicContact CG-CE1 4.47Å
129Q94.8Very high93.9Very high0 Ų015.4 Ų15.40%09%0.089CC..Hα-helixtrans-56.8-44.2175.4-174.6-71.5-27.800111.4D125 G126 V131 V132 T133 F204 D386 E388 Y390D125-Q129 WeakPolarHBondContact O-CB 3.14Å; D125-Q129 PolarHBondContact O-N 2.82Å; G126-Q129 WeakPolarHBondContact O-CB 3.4Å; G126-Q129 PolarHBondContact O-N 2.68Å; Q129-V131 PolarHBondContact O-N 2.98Å; Q129-V132 PolarHBondContact O-N 3.46Å; Q129-T133 PolarHBondContact NE2-OG1 3.35Å; Q129-T133 VanDerWaalsContact O-CB 3.25Å; Q129-T133 WeakPolarHBondContact O-CB 3.06Å; Q129-T133 PolarHBondContact O-N 3.02Å; Q129-T133 PolarHBondContact O-OG1 3.38Å; Q129-F204 WeakPolarHBondContact CG-O 3.38Å; Q129-F204 PolarHBondContact NE2-O 2.86Å; Q129-D386 HydrophobicContact CB-CB 4.01Å; Q129-D386 HydrophobicContact CG-CB 4.06Å; Q129-E388 PolarHBondContact OE1-OE2 2.7Å; Q129-Y390 PolarHBondContact OE1-OH 3Å
130E94.3Very high93.5Very high13 Ų1317.9 Ų17.96%0.06110%0.103CC..Hα-helixtrans-62.1-44.6178.2-79-172.6-142.700112.2G104 A106 G126 L128 T133 G134G104-E130 WeakPolarHBondContact CA-OE2 3.39Å; G104-E130 PolarHBondContact N-OE1 2.98Å; G104-E130 PolarHBondContact N-OE2 3.21Å; A106-E130 HydrophobicContact CB-CB 4.23Å; G126-E130 PolarHBondContact O-N 3.07Å; L128-E130 VanDerWaalsContact C-N 3.31Å; L128-E130 PolarHBondContact O-N 3.07Å; E130-T133 PolarHBondContact O-N 3.49Å; E130-G134 PolarHBondContact O-N 3.37Å
131V95.5Very high92.9Very high0 Ų020.2 Ų20.20%011%0.114CC..Hα-helixtrans-66.6-47.8179.2171.80000110.3F66 A106 L110 I119 V121 T127 L128 Q129 T133 G134 V135F66-V131 HydrophobicContact CB-CG2 4.06Å; F66-V131 HydrophobicContact CD2-CG2 4.37Å; F66-V131 HydrophobicContact CG-CG2 4.05Å; A106-V131 HydrophobicContact CB-CG2 4.02Å; L110-V131 HydrophobicContact CD2-CG1 3.89Å; L110-V131 WeakPolarHBondContact CD2-O 3.45Å; I119-V131 HydrophobicContact CG2-CG1 3.92Å; V121-V131 HydrophobicContact CG1-CG2 4.32Å; V121-V131 HydrophobicContact CG2-CB 3.83Å; V121-V131 HydrophobicContact CG2-CG1 3.7Å; V121-V131 HydrophobicContact CG2-CG2 3.83Å; T127-V131 WeakPolarHBondContact O-CG2 3.26Å; T127-V131 PolarHBondContact O-N 3.4Å; L128-V131 PolarHBondContact O-N 3.06Å; Q129-V131 PolarHBondContact O-N 2.98Å; V131-T133 VanDerWaalsContact C-N 3.29Å; V131-T133 PolarHBondContact O-N 3.01Å; V131-G134 CarbonylContact O-C 3.53Å; V131-G134 WeakPolarHBondContact O-CA 3.28Å; V131-G134 PolarHBondContact O-N 3.35Å; V131-V135 WeakPolarHBondContact O-CG2 3Å; V131-V135 PolarHBondContact O-N 3.2Å
132V95.7Very high92.5Very high0 Ų023.4 Ų23.40%014%0.139CC..Hα-helixtrans-58.6-43.1176.8165.30000111L128 Q129 G134 V135 L136 I149 V192 F204 M206 L404 F406L128-V132 HydrophobicContact CD1-CG2 4.07Å; L128-V132 HydrophobicContact CG-CG2 4.32Å; L128-V132 WeakPolarHBondContact O-CB 3.42Å; L128-V132 WeakPolarHBondContact O-CG2 3.41Å; L128-V132 PolarHBondContact O-N 3.43Å; Q129-V132 PolarHBondContact O-N 3.46Å; V132-G134 VanDerWaalsContact C-N 3.34Å; V132-G134 PolarHBondContact O-N 3.49Å; V132-V135 PolarHBondContact O-N 3.22Å; V132-L136 HydrophobicContact CG1-CD1 3.89Å; V132-L136 WeakPolarHBondContact O-CB 3.43Å; V132-L136 WeakPolarHBondContact O-CG 3.39Å; V132-L136 PolarHBondContact O-N 3.08Å; V132-I149 HydrophobicContact CG2-CD1 4.41Å; V132-V192 HydrophobicContact CG1-CG1 4.18Å; V132-F204 HydrophobicContact CG1-CB 3.98Å; V132-M206 HydrophobicContact CG1-SD 4.17Å; V132-M206 HydrophobicContact CG2-CG 4.11Å; V132-M206 HydrophobicContact CG2-SD 4Å; V132-L404 HydrophobicContact CB-CD1 4.31Å; V132-L404 HydrophobicContact CG1-CD1 3.68Å; V132-L404 HydrophobicContact CG2-CD1 3.84Å; V132-F406 HydrophobicContact CG2-CZ 4.29Å
133T95.1Very high92.1Very high0 Ų027.4 Ų27.40%016%0.164CC..Hα-helixtrans-63.8-40.7174.9-66.90000111.7K107 Q129 E130 V131 V135 R137 F204K107-T133 HydrophobicContact CD-CG2 3.96Å; K107-T133 HydrophobicContact CG-CG2 4.41Å; Q129-T133 PolarHBondContact NE2-OG1 3.35Å; Q129-T133 VanDerWaalsContact O-CB 3.25Å; Q129-T133 WeakPolarHBondContact O-CB 3.06Å; Q129-T133 PolarHBondContact O-N 3.02Å; Q129-T133 PolarHBondContact O-OG1 3.38Å; E130-T133 PolarHBondContact O-N 3.49Å; V131-T133 VanDerWaalsContact C-N 3.29Å; V131-T133 PolarHBondContact O-N 3.01Å; T133-V135 VanDerWaalsContact C-N 3.33Å; T133-V135 PolarHBondContact O-N 2.92Å; T133-R137 HydrophobicContact CG2-CG 4.2Å; T133-R137 VanDerWaalsContact CG2-CZ 3.48Å; T133-R137 VanDerWaalsContact O-CB 3.29Å; T133-R137 WeakPolarHBondContact O-CB 3.46Å; T133-R137 WeakPolarHBondContact O-CG 3.04Å; T133-R137 PolarHBondContact O-N 3.25Å; T133-R137 VanDerWaalsContact O-N 3.09Å; T133-F204 HydrophobicContact CG2-CD2 4.39Å; T133-F204 PolarHBondContact OG1-N 3.26Å; T133-F204 VanDerWaalsContact OG1-N 3.1Å; T133-F204 PolarHBondContact OG1-O 3.18Å; T133-F204 VanDerWaalsContact OG1-O 3.12Å
134G94Very high92Very high2 Ų227.5 Ų27.52%0.02117%0.165CC..Hα-helixtrans-58.1-45172.400000111.8E130 V131 V132 R138E130-G134 PolarHBondContact O-N 3.37Å; V131-G134 CarbonylContact O-C 3.53Å; V131-G134 WeakPolarHBondContact O-CA 3.28Å; V131-G134 PolarHBondContact O-N 3.35Å; V132-G134 VanDerWaalsContact C-N 3.34Å; V132-G134 PolarHBondContact O-N 3.49Å; G134-R138 WeakPolarHBondContact O-CG 3.49Å
135V94.5Very high91.9Very high0 Ų027.5 Ų27.50%016%0.162CC..Hα-helixtrans-63.8-49.7-177.4166.60000109.6L110 I119 V131 V132 T133 R137 R138 F144 L404L110-V135 HydrophobicContact CD2-CB 4.1Å; L110-V135 HydrophobicContact CD2-CG2 3.25Å; L110-V135 HydrophobicContact CG-CG2 4.41Å; I119-V135 HydrophobicContact CD1-CG2 4.1Å; V131-V135 WeakPolarHBondContact O-CG2 3Å; V131-V135 PolarHBondContact O-N 3.2Å; V132-V135 PolarHBondContact O-N 3.22Å; T133-V135 VanDerWaalsContact C-N 3.33Å; T133-V135 PolarHBondContact O-N 2.92Å; V135-R137 VanDerWaalsContact C-N 3.33Å; V135-R137 PolarHBondContact O-N 3.07Å; V135-R138 PolarHBondContact O-N 2.82Å; V135-F144 HydrophobicContact CG1-CB 3.94Å; V135-L404 HydrophobicContact CG1-CD2 4.32Å
136L94.3Very high92Very high8 Ų833.5 Ų33.54%0.04219%0.188CC..Hα-helixtrans-81.8-11.9-169.6-63.9176.8000114.1V132 E141 V192 F204 K403 L404V132-L136 HydrophobicContact CG1-CD1 3.89Å; V132-L136 WeakPolarHBondContact O-CB 3.43Å; V132-L136 WeakPolarHBondContact O-CG 3.39Å; V132-L136 PolarHBondContact O-N 3.08Å; L136-E141 HydrophobicContact CD2-CG 3.85Å; L136-E141 WeakPolarHBondContact CD2-OE1 3.18Å; L136-V192 HydrophobicContact CD1-CB 4.36Å; L136-V192 HydrophobicContact CD1-CG1 3.77Å; L136-V192 HydrophobicContact CD1-CG2 4.32Å; L136-F204 HydrophobicContact CB-CD1 4.07Å; L136-F204 HydrophobicContact CB-CD2 3.61Å; L136-F204 HydrophobicContact CB-CE1 4.01Å; L136-F204 HydrophobicContact CB-CE2 3.55Å; L136-F204 HydrophobicContact CB-CG 3.86Å; L136-F204 HydrophobicContact CB-CZ 3.75Å; L136-F204 HydrophobicContact CD1-CB 3.95Å; L136-F204 HydrophobicContact CD1-CD1 3.59Å; L136-F204 HydrophobicContact CD1-CD2 4.34Å; L136-F204 HydrophobicContact CD1-CE1 4.1Å; L136-F204 HydrophobicContact CD1-CG 3.7Å; L136-F204 HydrophobicContact CG-CG 4.43Å; L136-K403 HydrophobicContact CD2-CG 4.01Å; L136-L404 HydrophobicContact CD1-CD1 4.28Å; L136-L404 HydrophobicContact CD2-CD2 3.98Å; L136-L404 HydrophobicContact CG-CD2 4.5Å
137R92.3Very high92.1Very high61 Ų6133.4 Ų33.423%0.2318%0.183CC..Hα-helixtrans-86.1-13.1172.5-76.2-178.2-176.5-1695.2113.9T133 V135 Q201 P202 F204T133-R137 HydrophobicContact CG2-CG 4.2Å; T133-R137 VanDerWaalsContact CG2-CZ 3.48Å; T133-R137 VanDerWaalsContact O-CB 3.29Å; T133-R137 WeakPolarHBondContact O-CB 3.46Å; T133-R137 WeakPolarHBondContact O-CG 3.04Å; T133-R137 PolarHBondContact O-N 3.25Å; T133-R137 VanDerWaalsContact O-N 3.09Å; V135-R137 VanDerWaalsContact C-N 3.33Å; V135-R137 PolarHBondContact O-N 3.07Å; R137-Q201 VanDerWaalsContact NH1-OE1 3.08Å; R137-Q201 PolarHBondContact NH2-O 3.49Å; R137-P202 PolarHBondContact NE-O 3.01Å; R137-P202 VanDerWaalsContact NH2-C 3.34Å; R137-P202 PolarHBondContact NH2-O 3.48Å; R137-F204 HydrophobicContact CG-CD2 4.47Å; R137-F204 HydrophobicContact CG-CE2 4.01Å
138R90.9Very high92.3Very high30 Ų3034.1 Ų34.111%0.11319%0.187CC..SBendtrans-65.3152.1-178.6-70.5177.562101.72.5111.9L110 E111 M113 G134 V135 D140 E141L110-R138 WeakPolarHBondContact O-CD 3.38Å; L110-R138 PolarHBondContact O-NH1 3.49Å; E111-R138 PolarHBondContact O-NH1 2.97Å; M113-R138 PolarHBondContact O-NH1 3.19Å; M113-R138 PolarHBondContact O-NH2 3.44Å; G134-R138 WeakPolarHBondContact O-CG 3.49Å; V135-R138 PolarHBondContact O-N 2.82Å; R138-D140 VanDerWaalsContact C-N 3.27Å; R138-D140 VanDerWaalsContact CB-OD1 3.3Å; R138-D140 WeakPolarHBondContact CB-OD1 3.36Å; R138-D140 IonicContact CZ-OD1 3.76Å; R138-D140 IonicContact CZ-OD2 2.7Å; R138-D140 IonicContact NE-OD1 2.68Å; R138-D140 PolarHBondContact NE-OD1 3.42Å; R138-D140 IonicContact NE-OD2 3.59Å; R138-D140 IonicContact NH2-OD1 3.98Å; R138-D140 PolarHBondContact NH2-OD1 2.98Å; R138-D140 VanDerWaalsContact NH2-OD1 3.1Å; R138-D140 IonicContact NH2-OD2 2.72Å; R138-D140 PolarHBondContact NH2-OD2 3.01Å; R138-D140 PolarHBondContact O-N 3.31Å; R138-E141 WeakPolarHBondContact O-CB 3.48Å; R138-E141 PolarHBondContact O-N 3.28Å
139T87.3Confident92.4Very high155 Ų15534.1 Ų34.195%0.95119%0.187SC*.THydrogen-bonded Turntrans-67.7-28.2174.853.60000112.9
140D87.9Confident92.6Very high52 Ų5234.1 Ų34.128%0.27819%0.187SC..THydrogen-bonded Turntrans-100.126.4177.160.8-11000112.8R138 A142 T143 F144R138-D140 VanDerWaalsContact C-N 3.27Å; R138-D140 VanDerWaalsContact CB-OD1 3.3Å; R138-D140 WeakPolarHBondContact CB-OD1 3.36Å; R138-D140 IonicContact CZ-OD1 3.76Å; R138-D140 IonicContact CZ-OD2 2.7Å; R138-D140 IonicContact NE-OD1 2.68Å; R138-D140 PolarHBondContact NE-OD1 3.42Å; R138-D140 IonicContact NE-OD2 3.59Å; R138-D140 IonicContact NH2-OD1 3.98Å; R138-D140 PolarHBondContact NH2-OD1 2.98Å; R138-D140 VanDerWaalsContact NH2-OD1 3.1Å; R138-D140 IonicContact NH2-OD2 2.72Å; R138-D140 PolarHBondContact NH2-OD2 3.01Å; R138-D140 PolarHBondContact O-N 3.31Å; D140-A142 PolarHBondContact O-N 2.93Å; D140-T143 PolarHBondContact O-N 3.44Å; D140-F144 PolarHBondContact O-N 3.29Å; D140-F144 WeakPolarHBondContact OD2-CE2 3.46Å
141E86.8Confident92.7Very high49 Ų4933.5 Ų33.523%0.22919%0.185CC..Hα-helixtrans-42-45.6178.5174.8-152.6-163.500113L136 R138 T143 F144 S145 K403L136-E141 HydrophobicContact CD2-CG 3.85Å; L136-E141 WeakPolarHBondContact CD2-OE1 3.18Å; R138-E141 WeakPolarHBondContact O-CB 3.48Å; R138-E141 PolarHBondContact O-N 3.28Å; E141-T143 PolarHBondContact O-N 3.05Å; E141-F144 PolarHBondContact O-N 2.85Å; E141-S145 WeakPolarHBondContact O-CB 3.38Å; E141-S145 PolarHBondContact O-N 3.17Å; E141-S145 PolarHBondContact O-OG 3.23Å; E141-K403 WeakPolarHBondContact OE1-CE 3.16Å; E141-K403 IonicContact OE1-NZ 2.75Å; E141-K403 PolarHBondContact OE1-NZ 3.33Å; E141-K403 IonicContact OE2-NZ 3.71Å; E141-K403 PolarHBondContact OE2-NZ 3.47Å
142A87.6Confident92.7Very high66 Ų6633.5 Ų33.555%0.54519%0.185SC..Hα-helixtrans-59.4-23.7-174.300000114D140D140-A142 PolarHBondContact O-N 2.93Å
143T88Confident92.7Very high85 Ų8533.5 Ų33.552%0.52119%0.185SC..Hα-helixtrans-87.2-47.3173.5-51.40000110.2D140 E141 S145 K146D140-T143 PolarHBondContact O-N 3.44Å; E141-T143 PolarHBondContact O-N 3.05Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 3.45Å; T143-K146 WeakPolarHBondContact O-CB 3.42Å; T143-K146 PolarHBondContact O-N 3Å; T143-K146 VanDerWaalsContact O-N 3.16Å
144F91.2Very high92.5Very high1 Ų133.5 Ų33.50%0.00419%0.185CC..Hα-helixtrans-67.4-29.1-177.5-88.2-106.8000113.6N115 I119 V135 D140 E141 K146 I147N115-F144 VanDerWaalsContact OD1-CE2 3.23Å; N115-F144 WeakPolarHBondContact OD1-CE2 3.47Å; I119-F144 HydrophobicContact CD1-CD1 4.37Å; V135-F144 HydrophobicContact CG1-CB 3.94Å; D140-F144 PolarHBondContact O-N 3.29Å; D140-F144 WeakPolarHBondContact OD2-CE2 3.46Å; E141-F144 PolarHBondContact O-N 2.85Å; F144-K146 PolarHBondContact O-N 3.19Å; F144-I147 HydrophobicContact CB-CD1 4.29Å; F144-I147 HydrophobicContact CD1-CD1 3.69Å; F144-I147 HydrophobicContact CD2-CD1 4.38Å; F144-I147 HydrophobicContact CE1-CD1 4.04Å; F144-I147 HydrophobicContact CG-CD1 3.87Å; F144-I147 WeakPolarHBondContact O-CB 3.28Å; F144-I147 PolarHBondContact O-N 3.29Å
145S90.2Very high92Very high13 Ų1333.8 Ų33.89%0.09119%0.188CC..THydrogen-bonded Turntrans-66.2-19.7176.372.50000112.8E141 T143E141-S145 WeakPolarHBondContact O-CB 3.38Å; E141-S145 PolarHBondContact O-N 3.17Å; E141-S145 PolarHBondContact O-OG 3.23Å; T143-S145 VanDerWaalsContact C-N 3.31Å; T143-S145 PolarHBondContact O-N 3.45Å
146K92.1Very high91.1Very high140 Ų14040.3 Ų40.361%0.60922%0.218SC*.THydrogen-bonded Turntrans-85.3-13.9174.5-57.9-177.4-178.7-172.40112.7T143 F144T143-K146 WeakPolarHBondContact O-CB 3.42Å; T143-K146 PolarHBondContact O-N 3Å; T143-K146 VanDerWaalsContact O-N 3.16Å; F144-K146 PolarHBondContact O-N 3.19Å
147I94.9Very high90.3Very high17 Ų1744.4 Ų44.49%0.08724%0.244CC..SBendtrans-73.2124.1176.9-61.2170.4000107.8T116 I119 F144T116-I147 VanDerWaalsContact O-CD1 3.31Å; T116-I147 WeakPolarHBondContact O-CD1 3.4Å; I119-I147 HydrophobicContact CD1-CG2 4.22Å; I119-I147 HydrophobicContact CG1-CG2 4.08Å; F144-I147 HydrophobicContact CB-CD1 4.29Å; F144-I147 HydrophobicContact CD1-CD1 3.69Å; F144-I147 HydrophobicContact CD2-CD1 4.38Å; F144-I147 HydrophobicContact CE1-CD1 4.04Å; F144-I147 HydrophobicContact CG-CD1 3.87Å; F144-I147 WeakPolarHBondContact O-CB 3.28Å; F144-I147 PolarHBondContact O-N 3.29Å
148P96.6Very high89.9Confident23 Ų2342 Ų4215%0.14924%0.236CC..  trans-70.6137.2-179.530.2-36.9000111.5D117 V118 I119 T187 Q405 F407D117-P148 WeakPolarHBondContact O-CD 3.38Å; V118-P148 HydrophobicContact CG2-CG 4.32Å; I119-P148 PolarHBondContact N-O 2.88Å; P148-T187 HydrophobicContact CB-CG2 3.9Å; P148-Q405 WeakPolarHBondContact CA-O 3.38Å; P148-Q405 HydrophobicContact CB-CB 4.35Å; P148-F407 HydrophobicContact CB-CD2 4.39Å; P148-F407 HydrophobicContact CB-CE1 4.24Å; P148-F407 HydrophobicContact CB-CE2 3.63Å; P148-F407 HydrophobicContact CB-CZ 3.55Å; P148-F407 HydrophobicContact CG-CE1 4.47Å; P148-F407 HydrophobicContact CG-CE2 3.94Å; P148-F407 HydrophobicContact CG-CZ 3.58Å
149I97.5Very high89.5Confident1 Ų141.4 Ų41.41%0.00524%0.237CC..EExtended strand (participates in β ladder)trans-104122.5-178.4-56.5178.2000109.7I119 V121 L128 V132 L404 Q405 F406 F407I119-I149 CarbonylContact O-C 3.55Å; I119-I149 VanDerWaalsContact O-CA 3.26Å; I119-I149 WeakPolarHBondContact O-CA 3.42Å; V121-I149 HydrophobicContact CG2-CG2 4.17Å; L128-I149 HydrophobicContact CD1-CG2 4.27Å; V132-I149 HydrophobicContact CG2-CD1 4.41Å; I149-L404 HydrophobicContact CD1-CD1 4.15Å; I149-L404 HydrophobicContact CD1-CD2 4.35Å; I149-Q405 PolarHBondContact N-O 2.91Å; I149-F406 HydrophobicContact CB-CD1 4.41Å; I149-F406 HydrophobicContact CB-CE1 4.23Å; I149-F406 HydrophobicContact CB-CE2 4.39Å; I149-F406 HydrophobicContact CB-CZ 4.22Å; I149-F406 HydrophobicContact CD1-CE2 4.41Å; I149-F406 HydrophobicContact CD1-CZ 4.39Å; I149-F406 HydrophobicContact CG2-CD1 4.48Å; I149-F406 HydrophobicContact CG2-CE1 3.98Å; I149-F406 HydrophobicContact CG2-CZ 4.18Å; I149-F406 VanDerWaalsContact O-CA 3.29Å; I149-F406 WeakPolarHBondContact O-CA 3.47Å; I149-F407 PolarHBondContact O-N 3.21Å; I149-F407 VanDerWaalsContact O-N 3.09Å
150G97.1Very high89.5Confident0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-89.7137.6170.300000111.1I119 I120 V121I119-G150 PolarHBondContact O-N 2.81Å; I120-G150 CarbonylContact C-O 3.54Å; I120-G150 WeakPolarHBondContact CA-O 3.39Å; V121-G150 PolarHBondContact N-O 3.03Å
151F97Very high89.5Confident0 Ų031.9 Ų31.90%018%0.18CC..EExtended strand (participates in β ladder)trans-120.1123.2176.7179.9-122.7000110.9V121 L128 P153 S158 F165V121-F151 HydrophobicContact CB-CD2 4.41Å; L128-F151 HydrophobicContact CB-CD2 4.32Å; L128-F151 HydrophobicContact CB-CE2 4.14Å; L128-F151 HydrophobicContact CD1-CD2 4.38Å; L128-F151 HydrophobicContact CD2-CD2 4.05Å; L128-F151 HydrophobicContact CD2-CE2 4.23Å; L128-F151 HydrophobicContact CD2-CG 4.29Å; L128-F151 HydrophobicContact CG-CD2 4.49Å; F151-P153 HydrophobicContact CE1-CB 3.87Å; F151-P153 HydrophobicContact CZ-CB 4.19Å; F151-S158 WeakPolarHBondContact CE1-OG 3.41Å; F151-S158 WeakPolarHBondContact CZ-OG 3.33Å; F151-F165 HydrophobicContact CD1-CE2 4.28Å; F151-F165 VanDerWaalsContact O-CE2 3.29Å; F151-F165 WeakPolarHBondContact O-CE2 3.3Å; F151-F165 VanDerWaalsContact O-CZ 3.22Å; F151-F165 WeakPolarHBondContact O-CZ 3.38Å
152I96.7Very high89.4Confident0 Ų033.6 Ų33.60%019%0.188CC..EExtended strand (participates in β ladder)trans-111.1104.2177.1-59.1174.1000107.9F80 A84 L88 I120 V121 A122 G123 L154 I175 T179 I182F80-I152 HydrophobicContact CD2-CD1 4.38Å; F80-I152 HydrophobicContact CE2-CD1 3.87Å; A84-I152 HydrophobicContact CB-CD1 4.15Å; A84-I152 HydrophobicContact CB-CG2 4.43Å; L88-I152 HydrophobicContact CD1-CD1 4.43Å; I120-I152 HydrophobicContact CG2-CD1 3.57Å; I120-I152 HydrophobicContact CG2-CG1 3.98Å; V121-I152 PolarHBondContact O-N 3.11Å; A122-I152 HydrophobicContact CB-CB 4.26Å; G123-I152 PolarHBondContact N-O 3.3Å; I152-L154 HydrophobicContact CG2-CD2 4.04Å; I152-L154 HydrophobicContact CG2-CG 4.22Å; I152-L154 PolarHBondContact O-N 3.03Å; I152-I175 HydrophobicContact CG2-CG2 3.87Å; I152-T179 HydrophobicContact CD1-CG2 4.38Å; I152-I182 HydrophobicContact CD1-CD1 4.27Å; I152-I182 HydrophobicContact CG1-CD1 3.94Å
153P94.2Very high89.4Confident1 Ų130.9 Ų30.91%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-76.289.8-171.929.7-35.1000111.5F151 K171 H174 A178F151-P153 HydrophobicContact CE1-CB 3.87Å; F151-P153 HydrophobicContact CZ-CB 4.19Å; P153-K171 PolarHBondContact O-NZ 2.72Å; P153-H174 VanDerWaalsContact CG-CD2 3.41Å; P153-H174 WeakPolarHBondContact CG-CD2 3.39Å; P153-A178 HydrophobicContact CG-CB 4.36Å
154L92.3Very high89.5Confident0 Ų026.9 Ų26.90%014%0.14CC..  trans-88.2-18.5175.2-59.7-179.6000112.7L67 C72 A76 L79 F80 A122 G123 I152 I175L67-L154 HydrophobicContact CD1-CD1 3.76Å; C72-L154 VanDerWaalsContact CB-O 3.23Å; C72-L154 WeakPolarHBondContact CB-O 3.43Å; A76-L154 HydrophobicContact CB-CB 4.15Å; A76-L154 HydrophobicContact CB-CD1 3.92Å; L79-L154 HydrophobicContact CB-CD2 4.19Å; F80-L154 HydrophobicContact CB-CD1 3.96Å; A122-L154 HydrophobicContact CB-CD1 3.85Å; G123-L154 PolarHBondContact O-N 3.08Å; I152-L154 HydrophobicContact CG2-CD2 4.04Å; I152-L154 HydrophobicContact CG2-CG 4.22Å; I152-L154 PolarHBondContact O-N 3.03Å; L154-I175 HydrophobicContact CD2-CD1 3.72Å; L154-I175 HydrophobicContact CD2-CG1 4.1Å; L154-I175 HydrophobicContact CD2-CG2 4.25Å
155G82.9Confident89.5Confident8 Ų826.9 Ų26.98%0.08214%0.14CC..SBendtrans-58.6163.2176.200000114.8G123 K171G123-G155 PolarHBondContact O-N 3.32Å; G123-G155 VanDerWaalsContact O-N 3.15Å; G155-K171 PolarHBondContact O-NZ 2.78Å
156E76.3Confident89.3Confident137 Ų13727.6 Ų27.664%0.6415%0.147SC*.SBendtrans-68.9-38.4176.6-170.9164175.700111.2K73K73-E156 WeakPolarHBondContact CE-OE2 3.29Å; K73-E156 IonicContact NZ-OE1 3.36Å; K73-E156 IonicContact NZ-OE2 2.79Å; K73-E156 PolarHBondContact NZ-OE2 3.19Å
157T76.3Confident88.8Confident94 Ų9428 Ų2858%0.57715%0.151SC*.SBendtrans-132147.2171.853.50000108.5
158S83.4Confident87.8Confident9 Ų928.8 Ų28.86%0.06316%0.158CC..  trans-142.5133170.5175.10000109.4D125 F151 S161 H162D125-S158 WeakPolarHBondContact OD1-CA 3.36Å; D125-S158 WeakPolarHBondContact OD1-CB 3.31Å; D125-S158 PolarHBondContact OD1-OG 3.29Å; D125-S158 WeakPolarHBondContact OD2-CA 3.27Å; F151-S158 WeakPolarHBondContact CE1-OG 3.41Å; F151-S158 WeakPolarHBondContact CZ-OG 3.33Å; S158-S161 PolarHBondContact O-OG 3.47Å; S158-H162 PolarHBondContact O-CD2 2.89Å; S158-H162 VanDerWaalsContact O-CD2 3.29Å
159S83.4Confident86.8Confident19 Ų1932.1 Ų32.113%0.13320%0.196CC..SBendtrans-69.7-50.3179.552.60000111.9D125 S161 T207D125-S159 PolarHBondContact OD2-N 2.9Å; D125-S159 VanDerWaalsContact OD2-N 3.08Å; D125-S159 PolarHBondContact OD2-OG 2.86Å; S159-S161 VanDerWaalsContact C-N 3.34Å; S159-S161 PolarHBondContact O-N 3.26Å; S159-T207 PolarHBondContact OG-OG1 3.36Å
160L87.5Confident86.3Confident1 Ų134.2 Ų34.21%0.00521%0.208CC..THydrogen-bonded Turntrans-73.2-24.7-173.2-66.3179.6000113.6L128 H162 T163 L164 M206 N319L128-L160 HydrophobicContact CD2-CD1 3.32Å; L160-H162 PolarHBondContact O-N 3Å; L160-T163 WeakPolarHBondContact O-CB 3.39Å; L160-T163 PolarHBondContact O-N 2.81Å; L160-L164 PolarHBondContact O-N 2.76Å; L160-M206 HydrophobicContact CD1-CB 3.53Å; L160-M206 HydrophobicContact CD1-CE 4.33Å; L160-M206 HydrophobicContact CD1-CG 3.93Å; L160-M206 HydrophobicContact CD2-CB 4.31Å; L160-M206 HydrophobicContact CG-CB 4.33Å; L160-N319 HydrophobicContact CD2-CB 4.03Å
161S88.3Confident86Confident5 Ų537.7 Ų37.74%0.03522%0.223CC..Hα-helixtrans-62.5-32.4-17674.30000112.8S158 S159 T163 F165 H174S158-S161 PolarHBondContact O-OG 3.47Å; S159-S161 VanDerWaalsContact C-N 3.34Å; S159-S161 PolarHBondContact O-N 3.26Å; S161-T163 VanDerWaalsContact C-N 3.3Å; S161-T163 PolarHBondContact O-N 2.73Å; S161-F165 PolarHBondContact O-N 3.12Å; S161-H174 WeakPolarHBondContact CB-NE2 3.27Å; S161-H174 PolarHBondContact OG-NE2 2.87Å
162H84.6Confident85.8Confident85 Ų8538.2 Ų38.239%0.39423%0.226SC..Hα-helixtrans-68.2-28.1176.4-69.6-80.9000113.5S158 L160 E167 K412S158-H162 PolarHBondContact O-CD2 2.89Å; S158-H162 VanDerWaalsContact O-CD2 3.29Å; L160-H162 PolarHBondContact O-N 3Å; H162-E167 IonicContact ND1-OE1 3.33Å; H162-E167 PolarHBondContact ND1-OE1 3.03Å; H162-K412 PolarHBondContact O-NZ 3.37Å
163T87Confident85.6Confident10 Ų1041.5 Ų41.56%0.06124%0.241CC..Hα-helixtrans-77.8-50.4175-57.10000110.5L160 S161 N319 N320 L322 M416L160-T163 WeakPolarHBondContact O-CB 3.39Å; L160-T163 PolarHBondContact O-N 2.81Å; S161-T163 VanDerWaalsContact C-N 3.3Å; S161-T163 PolarHBondContact O-N 2.73Å; T163-N319 WeakPolarHBondContact CB-O 3.34Å; T163-N319 WeakPolarHBondContact CG2-O 3.04Å; T163-N319 PolarHBondContact OG1-O 3.47Å; T163-N320 WeakPolarHBondContact OG1-CA 3.47Å; T163-L322 HydrophobicContact CG2-CD1 3.88Å; T163-L322 HydrophobicContact CG2-CG 4.25Å; T163-M416 HydrophobicContact CG2-CE 3.74Å; T163-M416 WeakPolarHBondContact O-CE 3.39Å
164L90.6Very high85.6Confident0 Ų042.4 Ų42.40%025%0.245CC..Hα-helixtrans-78.4-31.4-169.8-67.4175.4000113.4L160 L190 F406 C408 D409L160-L164 PolarHBondContact O-N 2.76Å; L164-L190 HydrophobicContact CD2-CD1 4.22Å; L164-F406 HydrophobicContact CD1-CB 4.14Å; L164-F406 HydrophobicContact CD1-CD1 3.85Å; L164-F406 HydrophobicContact CD1-CG 4.35Å; L164-F406 HydrophobicContact CD2-CB 4Å; L164-C408 HydrophobicContact CD2-CB 4Å; L164-C408 WeakPolarHBondContact O-CA 3.42Å; L164-C408 WeakPolarHBondContact O-CB 3.34Å; L164-D409 PolarHBondContact O-N 2.92Å
165F91.4Very high85.7Confident1 Ų142.4 Ų42.40%0.00425%0.245CC..SBendtrans-127156.9-171.1-49.6-58.4000111.9F151 S161 A178 A181 K412F151-F165 HydrophobicContact CD1-CE2 4.28Å; F151-F165 VanDerWaalsContact O-CE2 3.29Å; F151-F165 WeakPolarHBondContact O-CE2 3.3Å; F151-F165 VanDerWaalsContact O-CZ 3.22Å; F151-F165 WeakPolarHBondContact O-CZ 3.38Å; S161-F165 PolarHBondContact O-N 3.12Å; F165-A178 HydrophobicContact CD1-CB 4.01Å; F165-A178 HydrophobicContact CD2-CB 3.75Å; F165-A178 HydrophobicContact CE1-CB 3.89Å; F165-A178 HydrophobicContact CE2-CB 3.6Å; F165-A178 HydrophobicContact CG-CB 3.95Å; F165-A178 HydrophobicContact CZ-CB 3.68Å; F165-A181 HydrophobicContact CD1-CB 4.15Å; F165-A181 HydrophobicContact CE1-CB 3.84Å; F165-K412 VanDerWaalsContact O-CE 3.24Å; F165-K412 WeakPolarHBondContact O-CE 3.37Å
166A85.3Confident86.3Confident28 Ų2842.1 Ų42.123%0.23124%0.242CC..  trans-60.8144.4173.700000111.7S168 H174A166-S168 PolarHBondContact O-N 3.34Å; A166-H174 PolarHBondContact O-ND1 3.33Å
167E80.5Confident87.2Confident150 Ų15037.5 Ų37.570%0.70122%0.222SC*.  trans-67.5128171.3-64.9-166.215800109.5H162H162-E167 IonicContact ND1-OE1 3.33Å; H162-E167 PolarHBondContact ND1-OE1 3.03Å
168S75.4Confident88.1Confident33 Ų3333 Ų3323%0.23119%0.194CC..  trans-127.9136.2-178.263.70000110.4A166 N170 H174A166-S168 PolarHBondContact O-N 3.34Å; S168-N170 VanDerWaalsContact C-N 3.26Å; S168-N170 PolarHBondContact O-N 2.8Å; S168-N170 PolarHBondContact OG-O 2.98Å; S168-H174 WeakPolarHBondContact OG-CA 3.37Å; S168-H174 WeakPolarHBondContact OG-CB 3.45Å; S168-H174 PolarHBondContact OG-N 2.83Å; S168-H174 PolarHBondContact OG-ND1 2.75Å
169G74.1Confident88.8Confident92 Ų9232.6 Ų32.695%0.94819%0.191SC*.SBendtrans-71.8-18.3176.700000114.2
170N88.1Confident89.4Confident46 Ų4632.1 Ų32.125%0.24619%0.187CC..SBendtrans-113.4131.2-179.1-174-5.3000111.3D35 S168 V172 Q173 H174D35-N170 PolarHBondContact OD1-ND2 2.92Å; S168-N170 VanDerWaalsContact C-N 3.26Å; S168-N170 PolarHBondContact O-N 2.8Å; S168-N170 PolarHBondContact OG-O 2.98Å; N170-V172 VanDerWaalsContact C-N 3.28Å; N170-V172 PolarHBondContact O-N 2.76Å; N170-V172 PolarHBondContact OD1-N 3.27Å; N170-Q173 HydrophobicContact CB-CB 4.03Å; N170-Q173 WeakPolarHBondContact O-CB 3.17Å; N170-Q173 PolarHBondContact O-N 3.16Å; N170-H174 PolarHBondContact O-N 3.22Å
171K89.7Confident89.8Confident73 Ų7332.2 Ų32.232%0.31719%0.188SC..Hα-helixtrans-59.8-36.5177.5-175.856.8166177.10112.9P153 G155 H174 I175P153-K171 PolarHBondContact O-NZ 2.72Å; G155-K171 PolarHBondContact O-NZ 2.78Å; K171-H174 PolarHBondContact O-N 2.77Å; K171-I175 HydrophobicContact CD-CD1 4.23Å; K171-I175 HydrophobicContact CG-CD1 4.14Å; K171-I175 WeakPolarHBondContact O-CG1 3.34Å; K171-I175 PolarHBondContact O-N 2.89Å
172V93Very high90.2Very high10 Ų1032.3 Ų32.36%0.06119%0.188CC..Hα-helixtrans-65.9-46.9178.8176.20000109.9D35 R39 N170 H174 I175 T176D35-V172 HydrophobicContact CB-CG1 4.47Å; D35-V172 HydrophobicContact CB-CG2 4.36Å; R39-V172 HydrophobicContact CG-CG1 4.29Å; N170-V172 VanDerWaalsContact C-N 3.28Å; N170-V172 PolarHBondContact O-N 2.76Å; N170-V172 PolarHBondContact OD1-N 3.27Å; V172-H174 VanDerWaalsContact C-N 3.32Å; V172-H174 PolarHBondContact O-N 2.84Å; V172-I175 PolarHBondContact O-N 2.86Å; V172-T176 HydrophobicContact CG1-CG2 4.3Å; V172-T176 WeakPolarHBondContact O-CG2 3.44Å; V172-T176 PolarHBondContact O-N 3.28Å; V172-T176 PolarHBondContact O-OG1 3.15Å
173Q93.5Very high90.8Very high69 Ų6929.2 Ų29.232%0.32218%0.175SC..Hα-helixtrans-57.9-45.3177-172.9178.6-4.600111.3L38 N170 I175 T176 D177L38-Q173 HydrophobicContact CD1-CB 4.13Å; N170-Q173 HydrophobicContact CB-CB 4.03Å; N170-Q173 WeakPolarHBondContact O-CB 3.17Å; N170-Q173 PolarHBondContact O-N 3.16Å; Q173-I175 VanDerWaalsContact C-N 3.29Å; Q173-I175 PolarHBondContact O-N 2.85Å; Q173-T176 WeakPolarHBondContact CA-OG1 3.34Å; Q173-T176 PolarHBondContact O-N 3.41Å; Q173-T176 PolarHBondContact O-OG1 2.88Å; Q173-D177 WeakPolarHBondContact CG-OD2 3.21Å; Q173-D177 VanDerWaalsContact O-CB 3.28Å; Q173-D177 WeakPolarHBondContact O-CB 3.41Å; Q173-D177 PolarHBondContact O-N 2.65Å
174H93.8Very high91.1Very high21 Ų2132 Ų3210%0.09719%0.186CC..Hα-helixtrans-57.2-43.1178-154.549.6000112.8P153 S161 A166 S168 N170 K171 V172 A178P153-H174 VanDerWaalsContact CG-CD2 3.41Å; P153-H174 WeakPolarHBondContact CG-CD2 3.39Å; S161-H174 WeakPolarHBondContact CB-NE2 3.27Å; S161-H174 PolarHBondContact OG-NE2 2.87Å; A166-H174 PolarHBondContact O-ND1 3.33Å; S168-H174 WeakPolarHBondContact OG-CA 3.37Å; S168-H174 WeakPolarHBondContact OG-CB 3.45Å; S168-H174 PolarHBondContact OG-N 2.83Å; S168-H174 PolarHBondContact OG-ND1 2.75Å; N170-H174 PolarHBondContact O-N 3.22Å; K171-H174 PolarHBondContact O-N 2.77Å; V172-H174 VanDerWaalsContact C-N 3.32Å; V172-H174 PolarHBondContact O-N 2.84Å; H174-A178 VanDerWaalsContact O-CB 3.23Å; H174-A178 WeakPolarHBondContact O-CB 3.31Å; H174-A178 PolarHBondContact O-N 2.7Å
175I95.3Very high91.2Very high0 Ų033.7 Ų33.70%020%0.204CC..Hα-helixtrans-71.1-42.9-179-66.5165.3000110.6L79 N83 A84 I152 L154 K171 V172 Q173 T179L79-I175 HydrophobicContact CB-CD1 4.43Å; N83-I175 HydrophobicContact CB-CB 4.42Å; N83-I175 HydrophobicContact CB-CG2 3.82Å; A84-I175 HydrophobicContact CB-CG2 4.15Å; I152-I175 HydrophobicContact CG2-CG2 3.87Å; L154-I175 HydrophobicContact CD2-CD1 3.72Å; L154-I175 HydrophobicContact CD2-CG1 4.1Å; L154-I175 HydrophobicContact CD2-CG2 4.25Å; K171-I175 HydrophobicContact CD-CD1 4.23Å; K171-I175 HydrophobicContact CG-CD1 4.14Å; K171-I175 WeakPolarHBondContact O-CG1 3.34Å; K171-I175 PolarHBondContact O-N 2.89Å; V172-I175 PolarHBondContact O-N 2.86Å; Q173-I175 VanDerWaalsContact C-N 3.29Å; Q173-I175 PolarHBondContact O-N 2.85Å; I175-T179 WeakPolarHBondContact O-CB 3.35Å; I175-T179 PolarHBondContact O-N 3.08Å; I175-T179 PolarHBondContact O-OG1 3.44Å
176T95.4Very high91.3Very high1 Ų136.6 Ų36.61%0.00622%0.217CC..Hα-helixtrans-65.2-44.817951.10000111A42 N83 I87 V172 Q173 T179 L180A42-T176 HydrophobicContact CB-CG2 4.42Å; N83-T176 HydrophobicContact CB-CG2 4.38Å; I87-T176 HydrophobicContact CD1-CG2 4.1Å; V172-T176 HydrophobicContact CG1-CG2 4.3Å; V172-T176 WeakPolarHBondContact O-CG2 3.44Å; V172-T176 PolarHBondContact O-N 3.28Å; V172-T176 PolarHBondContact O-OG1 3.15Å; Q173-T176 WeakPolarHBondContact CA-OG1 3.34Å; Q173-T176 PolarHBondContact O-N 3.41Å; Q173-T176 PolarHBondContact O-OG1 2.88Å; T176-T179 PolarHBondContact O-N 3.42Å; T176-L180 VanDerWaalsContact O-CB 3.27Å; T176-L180 WeakPolarHBondContact O-CB 3.42Å; T176-L180 PolarHBondContact O-N 3.37Å
177D94.9Very high91.7Very high41 Ų4137 Ų3722%0.21922%0.217CC..Hα-helixtrans-66.8-41.9-178.2-65.5-0.1000110.6Q173 T179 L180 A181Q173-D177 WeakPolarHBondContact CG-OD2 3.21Å; Q173-D177 VanDerWaalsContact O-CB 3.28Å; Q173-D177 WeakPolarHBondContact O-CB 3.41Å; Q173-D177 PolarHBondContact O-N 2.65Å; D177-T179 VanDerWaalsContact C-N 3.35Å; D177-T179 PolarHBondContact O-N 3.28Å; D177-L180 PolarHBondContact O-N 3.41Å; D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 3.22Å
178A95.6Very high92.3Very high0 Ų030.5 Ų30.50%019%0.187CC..Hα-helixtrans-61.7-40.6173.800000112.6P153 F165 H174 A181 I182P153-A178 HydrophobicContact CG-CB 4.36Å; F165-A178 HydrophobicContact CD1-CB 4.01Å; F165-A178 HydrophobicContact CD2-CB 3.75Å; F165-A178 HydrophobicContact CE1-CB 3.89Å; F165-A178 HydrophobicContact CE2-CB 3.6Å; F165-A178 HydrophobicContact CG-CB 3.95Å; F165-A178 HydrophobicContact CZ-CB 3.68Å; H174-A178 VanDerWaalsContact O-CB 3.23Å; H174-A178 WeakPolarHBondContact O-CB 3.31Å; H174-A178 PolarHBondContact O-N 2.7Å; A178-A181 PolarHBondContact O-N 3.37Å; A178-I182 PolarHBondContact O-N 3.44Å
179T97Very high93Very high0 Ų032.1 Ų32.10%020%0.197CC..Hα-helixtrans-69.1-39.5177.7-51.40000111.1A84 I87 L88 I152 I175 T176 D177 A181 I182 V183A84-T179 HydrophobicContact CB-CG2 4.02Å; A84-T179 VanDerWaalsContact CB-OG1 3.28Å; A84-T179 WeakPolarHBondContact CB-OG1 3.46Å; I87-T179 HydrophobicContact CB-CG2 3.93Å; I87-T179 HydrophobicContact CD1-CG2 4.48Å; I87-T179 HydrophobicContact CG2-CG2 3.81Å; L88-T179 HydrophobicContact CD1-CG2 4.43Å; L88-T179 HydrophobicContact CD2-CG2 3.71Å; L88-T179 HydrophobicContact CG-CG2 3.72Å; I152-T179 HydrophobicContact CD1-CG2 4.38Å; I175-T179 WeakPolarHBondContact O-CB 3.35Å; I175-T179 PolarHBondContact O-N 3.08Å; I175-T179 PolarHBondContact O-OG1 3.44Å; T176-T179 PolarHBondContact O-N 3.42Å; D177-T179 VanDerWaalsContact C-N 3.35Å; D177-T179 PolarHBondContact O-N 3.28Å; T179-A181 VanDerWaalsContact C-N 3.34Å; T179-I182 WeakPolarHBondContact O-CB 3.26Å; T179-I182 PolarHBondContact O-N 3.3Å; T179-V183 PolarHBondContact O-N 2.69Å
180L96.3Very high93.9Very high9 Ų927.8 Ų27.85%0.04715%0.152CC..Hα-helixtrans-67.7-33.9177.8-176.666.9000112.1E45 T176 D177 I182 V183 K184E45-L180 HydrophobicContact CB-CD1 4.3Å; E45-L180 VanDerWaalsContact CD-CD2 3.48Å; E45-L180 HydrophobicContact CG-CD1 3.96Å; E45-L180 HydrophobicContact CG-CD2 4.47Å; E45-L180 WeakPolarHBondContact OE1-CD2 3.36Å; E45-L180 VanDerWaalsContact OE2-CD2 3.25Å; E45-L180 WeakPolarHBondContact OE2-CD2 3.37Å; T176-L180 VanDerWaalsContact O-CB 3.27Å; T176-L180 WeakPolarHBondContact O-CB 3.42Å; T176-L180 PolarHBondContact O-N 3.37Å; D177-L180 PolarHBondContact O-N 3.41Å; L180-I182 VanDerWaalsContact C-N 3.27Å; L180-I182 PolarHBondContact O-N 2.68Å; L180-V183 WeakPolarHBondContact O-CB 3.33Å; L180-V183 PolarHBondContact O-N 3.3Å; L180-V183 VanDerWaalsContact O-N 3.13Å; L180-K184 HydrophobicContact CG-CD 4.44Å; L180-K184 WeakPolarHBondContact O-CG 3.43Å; L180-K184 PolarHBondContact O-N 2.84Å
181A96.3Very high94.2Very high3 Ų326.2 Ų26.23%0.02514%0.144CC..Hα-helixtrans-59.3-38.117200000112.2F165 D177 A178 T179 K184 G185F165-A181 HydrophobicContact CD1-CB 4.15Å; F165-A181 HydrophobicContact CE1-CB 3.84Å; D177-A181 WeakPolarHBondContact O-CB 3.4Å; D177-A181 PolarHBondContact O-N 3.22Å; A178-A181 PolarHBondContact O-N 3.37Å; T179-A181 VanDerWaalsContact C-N 3.34Å; A181-K184 PolarHBondContact O-N 3.34Å; A181-G185 PolarHBondContact O-N 3.48Å; A181-G185 VanDerWaalsContact O-N 3.15Å
182I96.8Very high94.4Very high7 Ų722.8 Ų22.84%0.03613%0.129CC..Hα-helixtrans-62.7-43.6173.7-60166.5000110.6I120 I152 A178 T179 L180 K184 G185 F407I120-I182 HydrophobicContact CD1-CD1 4.35Å; I120-I182 HydrophobicContact CD1-CG2 4Å; I120-I182 HydrophobicContact CG1-CD1 4.42Å; I120-I182 HydrophobicContact CG1-CG2 4.43Å; I120-I182 HydrophobicContact CG2-CD1 3.97Å; I152-I182 HydrophobicContact CD1-CD1 4.27Å; I152-I182 HydrophobicContact CG1-CD1 3.94Å; A178-I182 PolarHBondContact O-N 3.44Å; T179-I182 WeakPolarHBondContact O-CB 3.26Å; T179-I182 PolarHBondContact O-N 3.3Å; L180-I182 VanDerWaalsContact C-N 3.27Å; L180-I182 PolarHBondContact O-N 2.68Å; I182-K184 VanDerWaalsContact C-N 3.33Å; I182-K184 PolarHBondContact O-N 3.32Å; I182-G185 PolarHBondContact O-N 3.49Å; I182-F407 HydrophobicContact CB-CD2 4.35Å; I182-F407 HydrophobicContact CB-CG 4.35Å; I182-F407 HydrophobicContact CG1-CB 4Å; I182-F407 HydrophobicContact CG1-CD2 4.1Å; I182-F407 HydrophobicContact CG1-CG 4.19Å; I182-F407 HydrophobicContact CG2-CD2 4.01Å; I182-F407 HydrophobicContact CG2-CE2 4.11Å; I182-F407 HydrophobicContact CG2-CG 4.4Å
183V96.1Very high94.5Very high19 Ų1922.3 Ų22.312%0.11513%0.126CC..Hα-helixtrans-64.4-38.3177.9176.40000111.7F49 I87 T179 L180 G185F49-V183 HydrophobicContact CB-CG1 3.7Å; F49-V183 HydrophobicContact CD1-CG1 4.21Å; F49-V183 HydrophobicContact CD2-CG1 3.71Å; F49-V183 HydrophobicContact CE2-CG1 4.42Å; F49-V183 HydrophobicContact CG-CG1 3.61Å; I87-V183 HydrophobicContact CG2-CG2 4.05Å; T179-V183 PolarHBondContact O-N 2.69Å; L180-V183 WeakPolarHBondContact O-CB 3.33Å; L180-V183 PolarHBondContact O-N 3.3Å; L180-V183 VanDerWaalsContact O-N 3.13Å; V183-G185 PolarHBondContact O-N 2.75Å
184K94.6Very high94.7Very high68 Ų6821.4 Ų21.430%0.29612%0.122SC..Hα-helixtrans-64.1-29.4175.9-73.7173.6177.6173.20112.7E45 F49 L180 A181 I182 P410E45-K184 WeakPolarHBondContact OE1-CE 3.24Å; E45-K184 IonicContact OE1-NZ 3.1Å; E45-K184 PolarHBondContact OE1-NZ 3.26Å; F49-K184 HydrophobicContact CE2-CG 4.38Å; F49-K184 HydrophobicContact CZ-CG 3.93Å; L180-K184 HydrophobicContact CG-CD 4.44Å; L180-K184 WeakPolarHBondContact O-CG 3.43Å; L180-K184 PolarHBondContact O-N 2.84Å; A181-K184 PolarHBondContact O-N 3.34Å; I182-K184 VanDerWaalsContact C-N 3.33Å; I182-K184 PolarHBondContact O-N 3.32Å; K184-P410 HydrophobicContact CD-CG 3.87Å
185G93Very high94.7Very high36 Ų3620.7 Ų20.737%0.37112%0.119SC..THydrogen-bonded Turntrans82.810.5170.500000115.2A181 I182 V183A181-G185 PolarHBondContact O-N 3.48Å; A181-G185 VanDerWaalsContact O-N 3.15Å; I182-G185 PolarHBondContact O-N 3.49Å; V183-G185 PolarHBondContact O-N 2.75Å
186E93.1Very high94.7Very high63 Ų6325.8 Ų25.829%0.29414%0.141SC..  trans-75.3127.1177.7-68.8-62.8155.800111F407 C408 P410 R413E186-F407 VanDerWaalsContact O-CA 3.23Å; E186-F407 WeakPolarHBondContact O-CA 3.39Å; E186-F407 WeakPolarHBondContact O-CD1 3.49Å; E186-C408 PolarHBondContact O-N 3.31Å; E186-P410 HydrophobicContact CG-CB 4.15Å; E186-P410 HydrophobicContact CG-CG 3.85Å; E186-R413 WeakPolarHBondContact OE2-CD 3.47Å; E186-R413 IonicContact OE2-CZ 2.6Å; E186-R413 IonicContact OE2-NE 2.79Å; E186-R413 IonicContact OE2-NH1 3.84Å; E186-R413 PolarHBondContact OE2-NH1 3.36Å
187T93.3Very high94.5Very high36 Ų3626.2 Ų26.222%0.22115%0.145CC..EExtended strand (participates in β ladder)trans-120.8147.2-175.258.40000113.2P148 F406 F407P148-T187 HydrophobicContact CB-CG2 3.9Å; T187-F406 CarbonylContact C-O 3.56Å; T187-F406 VanDerWaalsContact CA-O 3.25Å; T187-F406 WeakPolarHBondContact CA-O 3.2Å; T187-F407 HydrophobicContact CG2-CD1 3.78Å; T187-F407 HydrophobicContact CG2-CE1 3.66Å; T187-F407 HydrophobicContact CG2-CZ 4.36Å
188V92.1Very high93.9Very high13 Ų1331.5 Ų31.58%0.07917%0.169CC..EExtended strand (participates in β ladder)trans-128.7133.2173.5166.10000109.7L190 L322 F406 C408 R413 M416V188-L190 HydrophobicContact CG1-CD2 4.12Å; V188-L322 HydrophobicContact CG1-CD1 3.79Å; V188-F406 PolarHBondContact N-O 3.28Å; V188-F406 PolarHBondContact O-N 2.9Å; V188-C408 HydrophobicContact CG2-CB 4.23Å; V188-C408 WeakPolarHBondContact CG2-SG 3.48Å; V188-R413 HydrophobicContact CG2-CG 4.15Å; V188-M416 HydrophobicContact CG1-SD 4.21Å; V188-M416 HydrophobicContact CG2-SD 4.05Å
189P91.7Very high93.2Very high68 Ų6841 Ų4144%0.44221%0.21SC..EExtended strand (participates in β ladder)trans-74.3133.7173.431.3-34000110.7R402 L404P189-R402 HydrophobicContact CB-CB 3.89Å; P189-R402 HydrophobicContact CB-CG 4.02Å; P189-R402 HydrophobicContact CG-CG 4.26Å; P189-L404 CarbonylContact C-O 3.54Å; P189-L404 WeakPolarHBondContact CA-O 3.45Å
190L92.8Very high92.5Very high0 Ų045.5 Ų45.50%023%0.231CC..EExtended strand (participates in β ladder)trans-120.2152178.1-65.8-172.4000111.7L164 V188 M206 L322 R402 K403 L404 F406L164-L190 HydrophobicContact CD2-CD1 4.22Å; V188-L190 HydrophobicContact CG1-CD2 4.12Å; L190-M206 HydrophobicContact CB-CE 3.72Å; L190-M206 HydrophobicContact CD1-CE 3.69Å; L190-M206 HydrophobicContact CG-CE 4.39Å; L190-L322 HydrophobicContact CD2-CD1 3.55Å; L190-L322 HydrophobicContact CD2-CD2 3.95Å; L190-L322 HydrophobicContact CD2-CG 4.27Å; L190-R402 CarbonylContact O-C 3.57Å; L190-R402 WeakPolarHBondContact O-CA 3.47Å; L190-K403 PolarHBondContact O-N 3.38Å; L190-L404 PolarHBondContact N-O 3.25Å; L190-L404 PolarHBondContact O-N 3.15Å; L190-F406 HydrophobicContact CB-CD2 4.23Å; L190-F406 HydrophobicContact CD1-CB 3.96Å; L190-F406 HydrophobicContact CD1-CD1 4.3Å; L190-F406 HydrophobicContact CD1-CD2 3.7Å; L190-F406 HydrophobicContact CD1-CE2 4.26Å; L190-F406 HydrophobicContact CD1-CG 3.72Å; L190-F406 HydrophobicContact CG-CB 4.31Å; L190-F406 HydrophobicContact CG-CD2 4.1Å; L190-F406 HydrophobicContact CG-CG 4.36Å
191D93.2Very high92.1Very high14 Ų1450.5 Ų50.58%0.07525%0.254CS..EExtended strand (participates in β ladder)trans-81.6153.7176.2-54.2-28.3000110.8N319 L399 L400 P401 R402D191-N319 PolarHBondContact N-OD1 3Å; D191-N319 VanDerWaalsContact N-OD1 3.12Å; D191-N319 PolarHBondContact O-ND2 3.37Å; D191-L399 HydrophobicContact CB-CD1 3.92Å; D191-L400 WeakPolarHBondContact CA-O 3.46Å; D191-P401 VanDerWaalsContact OD1-CA 3.24Å; D191-P401 WeakPolarHBondContact OD1-CA 3.35Å; D191-R402 PolarHBondContact OD1-N 2.89Å
192V95.1Very high91.9Very high0 Ų052 Ų520%026%0.263CS..EExtended strand (participates in β ladder)trans-129.7141.2177.4-174.40000109.2V132 L136 F204 A205 M206 L400 K403 L404V132-V192 HydrophobicContact CG1-CG1 4.18Å; L136-V192 HydrophobicContact CD1-CB 4.36Å; L136-V192 HydrophobicContact CD1-CG1 3.77Å; L136-V192 HydrophobicContact CD1-CG2 4.32Å; V192-F204 HydrophobicContact CG1-CB 3.9Å; V192-F204 HydrophobicContact CG1-CD1 4.12Å; V192-F204 HydrophobicContact CG1-CG 4.48Å; V192-A205 WeakPolarHBondContact CG1-O 3.4Å; V192-M206 HydrophobicContact CG2-CE 4.49Å; V192-M206 HydrophobicContact CG2-SD 3.79Å; V192-L400 HydrophobicContact CB-CB 4.41Å; V192-L400 PolarHBondContact N-O 3.28Å; V192-L400 WeakPolarHBondContact O-CA 3.33Å; V192-L400 WeakPolarHBondContact O-CB 3.46Å; V192-L400 PolarHBondContact O-N 3.35Å; V192-K403 HydrophobicContact CG2-CB 4.11Å; V192-L404 HydrophobicContact CG2-CB 4.38Å; V192-L404 HydrophobicContact CG2-CD1 3.68Å; V192-L404 HydrophobicContact CG2-CG 3.85Å
193L95.3Very high91.8Very high1 Ų152.1 Ų52.11%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-92.5125.2169.7-65.1166.7000109.1F204 A205 T317 L331 V397 L399L193-F204 CarbonylContact O-C 3.57Å; L193-F204 VanDerWaalsContact O-CA 3.28Å; L193-F204 WeakPolarHBondContact O-CA 3.28Å; L193-A205 HydrophobicContact CB-CB 4.39Å; L193-A205 PolarHBondContact N-O 3.18Å; L193-A205 PolarHBondContact O-N 2.76Å; L193-T317 HydrophobicContact CD1-CG2 3.59Å; L193-T317 HydrophobicContact CD2-CG2 4.04Å; L193-T317 HydrophobicContact CG-CG2 3.43Å; L193-T317 VanDerWaalsContact CG-CG2 3.43Å; L193-L331 HydrophobicContact CD2-CB 4.01Å; L193-L331 HydrophobicContact CD2-CD2 3.67Å; L193-L331 HydrophobicContact CD2-CG 4.49Å; L193-V397 HydrophobicContact CD2-CG1 4.19Å; L193-L399 HydrophobicContact CD2-CB 4.5Å; L193-L399 HydrophobicContact CD2-CD1 3.75Å
194Q96.1Very high91.8Very high49 Ų4951.5 Ų51.523%0.22926%0.26CS..EExtended strand (participates in β ladder)trans-92.8120.1166.4-177.6175.824.600108.5P202 F204 V397 K398 L400Q194-P202 HydrophobicContact CG-CB 4.11Å; Q194-F204 HydrophobicContact CB-CD1 3.9Å; Q194-F204 HydrophobicContact CB-CE1 3.7Å; Q194-F204 HydrophobicContact CG-CD1 4.09Å; Q194-F204 HydrophobicContact CG-CE1 3.54Å; Q194-F204 HydrophobicContact CG-CZ 4.1Å; Q194-V397 CarbonylContact O-C 3.58Å; Q194-V397 WeakPolarHBondContact O-CA 3.28Å; Q194-K398 HydrophobicContact CB-CB 4.5Å; Q194-K398 PolarHBondContact N-O 3.36Å; Q194-K398 PolarHBondContact O-N 3.4Å; Q194-L400 HydrophobicContact CB-CD1 4.1Å; Q194-L400 HydrophobicContact CB-CG 4.28Å
195I95.6Very high91.8Very high6 Ų648.2 Ų48.23%0.03125%0.246CC..EExtended strand (participates in β ladder)trans-115.4112.5179-56.3165.6000106.9V203 A205 L209 I385 V395 E396 V397I195-V203 PolarHBondContact N-O 2.84Å; I195-V203 PolarHBondContact O-N 3.31Å; I195-A205 HydrophobicContact CD1-CB 4.16Å; I195-L209 HydrophobicContact CD1-CB 4.1Å; I195-L209 HydrophobicContact CD1-CD1 4.21Å; I195-L209 HydrophobicContact CG2-CD1 4.33Å; I195-I385 HydrophobicContact CD1-CD1 3.84Å; I195-I385 HydrophobicContact CD1-CG1 4.12Å; I195-I385 HydrophobicContact CD1-CG2 3.87Å; I195-I385 HydrophobicContact CG2-CD1 4.38Å; I195-V395 HydrophobicContact CG2-CB 3.96Å; I195-V395 HydrophobicContact CG2-CG1 4.08Å; I195-V395 HydrophobicContact CG2-CG2 4.24Å; I195-E396 CarbonylContact C-O 3.42Å; I195-E396 WeakPolarHBondContact CA-O 3.48Å; I195-V397 HydrophobicContact CG1-CG1 4.18Å; I195-V397 HydrophobicContact CG1-CG2 4.27Å; I195-V397 HydrophobicContact CG2-CG2 4.36Å
196K94.9Very high91.9Very high108 Ų10846.5 Ų46.547%0.4723%0.228SC..EExtended strand (participates in β ladder)trans-115.5115.5-176.5-174.3-179.1175.7-170.90109.9P202 V395 E396K196-P202 HydrophobicContact CB-CB 4.38Å; K196-P202 HydrophobicContact CG-CB 4.47Å; K196-V395 WeakPolarHBondContact O-CA 3.34Å; K196-E396 PolarHBondContact N-O 2.98Å; K196-E396 PolarHBondContact O-N 2.89Å
197G90.4Very high91.8Very high9 Ų944.4 Ų44.49%0.09322%0.22CC..EExtended strand (participates in β ladder)trans-78.4162.5165.500000111.3K199G197-K199 PolarHBondContact O-N 3.25Å
198E83.6Confident91.8Very high153 Ų15343 Ų4372%0.71521%0.212SC*.SBendtrans-63.2-38.9-177.6-65.3-175.516900113.5
199K79.4Confident91.9Very high198 Ų19842.4 Ų42.486%0.86121%0.209SC*.SBendtrans-106.5-18.6-172.7-64.5178.3-176.8171.30113.8G197G197-K199 PolarHBondContact O-N 3.25Å
200E82.6Confident92Very high95 Ų9541.9 Ų41.944%0.44420%0.198SC..SBendtrans-100.5159.1-173.5-64.9-167.8173.500112.5M393E200-M393 HydrophobicContact CG-CE 4.46Å
201Q88.3Confident92Very high115 Ų11542.4 Ų42.454%0.53720%0.2SC..PPolyproline II helixtrans-65147170.1-72.2-172.5-1.800111R137 V203R137-Q201 VanDerWaalsContact NH1-OE1 3.08Å; R137-Q201 PolarHBondContact NH2-O 3.49Å; Q201-V203 PolarHBondContact O-N 2.81Å
202P93.1Very high91.9Very high33 Ų3341.8 Ų41.821%0.21420%0.197CC..PPolyproline II helixtrans-61.1131.4-176.626.2-35.4000111.7R137 Q194 K196 F204R137-P202 PolarHBondContact NE-O 3.01Å; R137-P202 VanDerWaalsContact NH2-C 3.34Å; R137-P202 PolarHBondContact NH2-O 3.48Å; Q194-P202 HydrophobicContact CG-CB 4.11Å; K196-P202 HydrophobicContact CB-CB 4.38Å; K196-P202 HydrophobicContact CG-CB 4.47Å; P202-F204 HydrophobicContact CB-CE2 4.29Å; P202-F204 HydrophobicContact CB-CZ 4.32Å; P202-F204 HydrophobicContact CG-CE2 4.22Å; P202-F204 HydrophobicContact CG-CZ 4.35Å
203V94.5Very high91.7Very high10 Ų1041.9 Ų41.96%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-96.7138.2175.8-179.50000108.2I195 Q201 I385 Y390I195-V203 PolarHBondContact N-O 2.84Å; I195-V203 PolarHBondContact O-N 3.31Å; Q201-V203 PolarHBondContact O-N 2.81Å; V203-I385 HydrophobicContact CG1-CD1 4.24Å; V203-I385 HydrophobicContact CG1-CG2 4.47Å; V203-Y390 HydrophobicContact CG1-CE1 4.14Å; V203-Y390 HydrophobicContact CG1-CE2 4.47Å; V203-Y390 HydrophobicContact CG2-CD1 4.45Å; V203-Y390 HydrophobicContact CG2-CE1 3.8Å
204F95.3Very high91.6Very high6 Ų642 Ų423%0.02620%0.198CC..EExtended strand (participates in β ladder)trans-112140.2179.5-62.8-87.3000110.3Q129 V132 T133 L136 R137 V192 L193 Q194 P202 L400Q129-F204 WeakPolarHBondContact CG-O 3.38Å; Q129-F204 PolarHBondContact NE2-O 2.86Å; V132-F204 HydrophobicContact CG1-CB 3.98Å; T133-F204 HydrophobicContact CG2-CD2 4.39Å; T133-F204 PolarHBondContact OG1-N 3.26Å; T133-F204 VanDerWaalsContact OG1-N 3.1Å; T133-F204 PolarHBondContact OG1-O 3.18Å; T133-F204 VanDerWaalsContact OG1-O 3.12Å; L136-F204 HydrophobicContact CB-CD1 4.07Å; L136-F204 HydrophobicContact CB-CD2 3.61Å; L136-F204 HydrophobicContact CB-CE1 4.01Å; L136-F204 HydrophobicContact CB-CE2 3.55Å; L136-F204 HydrophobicContact CB-CG 3.86Å; L136-F204 HydrophobicContact CB-CZ 3.75Å; L136-F204 HydrophobicContact CD1-CB 3.95Å; L136-F204 HydrophobicContact CD1-CD1 3.59Å; L136-F204 HydrophobicContact CD1-CD2 4.34Å; L136-F204 HydrophobicContact CD1-CE1 4.1Å; L136-F204 HydrophobicContact CD1-CG 3.7Å; L136-F204 HydrophobicContact CG-CG 4.43Å; R137-F204 HydrophobicContact CG-CD2 4.47Å; R137-F204 HydrophobicContact CG-CE2 4.01Å; V192-F204 HydrophobicContact CG1-CB 3.9Å; V192-F204 HydrophobicContact CG1-CD1 4.12Å; V192-F204 HydrophobicContact CG1-CG 4.48Å; L193-F204 CarbonylContact O-C 3.57Å; L193-F204 VanDerWaalsContact O-CA 3.28Å; L193-F204 WeakPolarHBondContact O-CA 3.28Å; Q194-F204 HydrophobicContact CB-CD1 3.9Å; Q194-F204 HydrophobicContact CB-CE1 3.7Å; Q194-F204 HydrophobicContact CG-CD1 4.09Å; Q194-F204 HydrophobicContact CG-CE1 3.54Å; Q194-F204 HydrophobicContact CG-CZ 4.1Å; P202-F204 HydrophobicContact CB-CE2 4.29Å; P202-F204 HydrophobicContact CB-CZ 4.32Å; P202-F204 HydrophobicContact CG-CE2 4.22Å; P202-F204 HydrophobicContact CG-CZ 4.35Å; F204-L400 HydrophobicContact CD1-CD1 4.16Å; F204-L400 HydrophobicContact CE1-CD1 3.77Å
205A94.9Very high91.4Very high0 Ų040.3 Ų40.30%019%0.189CC..EExtended strand (participates in β ladder)trans-134.9144.3-176.800000111.3V192 L193 I195 I385V192-A205 WeakPolarHBondContact CG1-O 3.4Å; L193-A205 HydrophobicContact CB-CB 4.39Å; L193-A205 PolarHBondContact N-O 3.18Å; L193-A205 PolarHBondContact O-N 2.76Å; I195-A205 HydrophobicContact CD1-CB 4.16Å; A205-I385 HydrophobicContact CB-CG2 3.47Å; A205-I385 VanDerWaalsContact CB-CG2 3.47Å
206M93.9Very high91.2Very high0 Ų042 Ų420%020%0.199CC..SBendtrans-92.5-35.5178.4-65.4-59.3-56.700112.4L128 V132 L160 L190 V192 T317 N319 D386 L404 F406L128-M206 HydrophobicContact CD2-CG 4.29Å; L128-M206 HydrophobicContact CG-CG 4.46Å; V132-M206 HydrophobicContact CG1-SD 4.17Å; V132-M206 HydrophobicContact CG2-CG 4.11Å; V132-M206 HydrophobicContact CG2-SD 4Å; L160-M206 HydrophobicContact CD1-CB 3.53Å; L160-M206 HydrophobicContact CD1-CE 4.33Å; L160-M206 HydrophobicContact CD1-CG 3.93Å; L160-M206 HydrophobicContact CD2-CB 4.31Å; L160-M206 HydrophobicContact CG-CB 4.33Å; L190-M206 HydrophobicContact CB-CE 3.72Å; L190-M206 HydrophobicContact CD1-CE 3.69Å; L190-M206 HydrophobicContact CG-CE 4.39Å; V192-M206 HydrophobicContact CG2-CE 4.49Å; V192-M206 HydrophobicContact CG2-SD 3.79Å; M206-T317 WeakPolarHBondContact O-CG2 3.26Å; M206-T317 PolarHBondContact O-OG1 3.23Å; M206-N319 PolarHBondContact O-ND2 2.9Å; M206-D386 PolarHBondContact N-OD2 3.4Å; M206-L404 HydrophobicContact SD-CD1 4.09Å; M206-F406 HydrophobicContact CE-CD2 4.2Å; M206-F406 HydrophobicContact CE-CE2 3.47Å; M206-F406 VanDerWaalsContact CE-CE2 3.47Å; M206-F406 HydrophobicContact CE-CZ 3.69Å; M206-F406 HydrophobicContact CG-CZ 4.45Å; M206-F406 HydrophobicContact SD-CE2 4.02Å; M206-F406 HydrophobicContact SD-CZ 3.97Å
207T91.9Very high91Very high19 Ų1936.9 Ų36.912%0.11718%0.176CC..SBendtrans-101-58-176.4-42.30000111.5S159 T316 T317 D386S159-T207 PolarHBondContact OG-OG1 3.36Å; T207-T316 CarbonylContact O-C 3.57Å; T207-T316 VanDerWaalsContact O-CA 3.28Å; T207-T316 WeakPolarHBondContact O-CA 3.33Å; T207-T317 PolarHBondContact O-N 3.35Å; T207-T317 PolarHBondContact O-OG1 3.22Å; T207-D386 VanDerWaalsContact CA-OD1 3.28Å; T207-D386 WeakPolarHBondContact CA-OD1 3.45Å; T207-D386 WeakPolarHBondContact CB-OD1 3.29Å; T207-D386 PolarHBondContact N-OD1 3.29Å; T207-D386 PolarHBondContact N-OD2 3.36Å; T207-D386 PolarHBondContact OG1-OD1 3.05Å
208G92.8Very high91Very high6 Ų637.6 Ų37.66%0.06218%0.184CC..EExtended strand (participates in β ladder)trans163.2174.5-174.900000116.6I315 D386G208-I315 CarbonylContact C-O 3.56Å; G208-I315 WeakPolarHBondContact CA-O 3.28Å; G208-D386 PolarHBondContact N-OD1 2.9Å; G208-D386 PolarHBondContact O-N 3.37Å; G208-D386 VanDerWaalsContact O-N 3.14Å
209L93.9Very high91.4Very high1 Ų133 Ų331%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-104.3139172.9176.9151.2000109.7I195 W211 S314 I315 F383 S384 I385I195-L209 HydrophobicContact CD1-CB 4.1Å; I195-L209 HydrophobicContact CD1-CD1 4.21Å; I195-L209 HydrophobicContact CG2-CD1 4.33Å; L209-W211 HydrophobicContact CD2-CB 4.45Å; L209-S314 CarbonylContact O-C 3.53Å; L209-S314 WeakPolarHBondContact O-CA 3.34Å; L209-I315 HydrophobicContact CD2-CD1 4.49Å; L209-I315 PolarHBondContact N-O 3.48Å; L209-I315 PolarHBondContact O-N 3.2Å; L209-F383 HydrophobicContact CD1-CB 4.22Å; L209-F383 HydrophobicContact CD1-CD2 4.06Å; L209-F383 HydrophobicContact CD1-CG 4.04Å; L209-F383 HydrophobicContact CD2-CD1 4.35Å; L209-F383 HydrophobicContact CG-CB 4.34Å; L209-F383 HydrophobicContact CG-CG 4.43Å; L209-S384 CarbonylContact C-O 3.42Å; L209-S384 WeakPolarHBondContact CA-O 3.43Å; L209-I385 HydrophobicContact CB-CG1 4.42Å; L209-I385 HydrophobicContact CD1-CD1 4.33Å; L209-I385 HydrophobicContact CD1-CG1 4.13Å; L209-I385 HydrophobicContact CG-CG1 4.32Å
210R93.7Very high91.9Very high57 Ų5726.3 Ų26.322%0.21514%0.137CC..EExtended strand (participates in β ladder)trans-130.1137.7174.1-63.8176.863.2-172.73.9110.9E312 L313 S384R210-E312 IonicContact CZ-OE1 2.95Å; R210-E312 IonicContact NE-OE1 3.36Å; R210-E312 PolarHBondContact NE-OE1 3.43Å; R210-E312 IonicContact NH2-OE1 2.68Å; R210-E312 PolarHBondContact NH2-OE1 3.24Å; R210-E312 IonicContact NH2-OE2 3.42Å; R210-L313 WeakPolarHBondContact CA-O 3.29Å; R210-S384 PolarHBondContact N-O 2.92Å; R210-S384 PolarHBondContact O-N 3.38Å
211W93.5Very high92.4Very high11 Ų1122.5 Ų22.54%0.04212%0.12CC..EExtended strand (participates in β ladder)trans-141.1125.6179.6-178.951.9000110.6L209 H248 A250 E312 L313 V375 F383L209-W211 HydrophobicContact CD2-CB 4.45Å; W211-H248 HydrophobicContact CH2-CB 3.56Å; W211-H248 HydrophobicContact CZ2-CB 3.81Å; W211-H248 HydrophobicContact CZ3-CB 3.95Å; W211-A250 HydrophobicContact CH2-CB 3.79Å; W211-A250 HydrophobicContact CZ3-CB 3.42Å; W211-A250 VanDerWaalsContact CZ3-CB 3.42Å; W211-E312 CarbonylContact O-C 3.57Å; W211-E312 VanDerWaalsContact O-CA 3.29Å; W211-E312 WeakPolarHBondContact O-CA 3.28Å; W211-E312 WeakPolarHBondContact O-CG 3.44Å; W211-L313 HydrophobicContact CE3-CB 4.27Å; W211-L313 HydrophobicContact CE3-CD2 4.42Å; W211-L313 PolarHBondContact N-O 3.46Å; W211-L313 PolarHBondContact O-N 3.07Å; W211-V375 HydrophobicContact CH2-CG1 4.02Å; W211-V375 HydrophobicContact CH2-CG2 4.36Å; W211-V375 HydrophobicContact CZ2-CG1 3.72Å; W211-V375 HydrophobicContact CZ2-CG2 4.39Å; W211-F383 HydrophobicContact CB-CD1 3.64Å; W211-F383 HydrophobicContact CB-CE1 3.88Å; W211-F383 AromaticContact CD1-CD1 3.48Å; W211-F383 VanDerWaalsContact CD1-CD1 3.48Å; W211-F383 AromaticContact CD1-CE1 3.6Å; W211-F383 HydrophobicContact CD2-CD1 4.48Å; W211-F383 AromaticContact CD2-CE1 3.97Å; W211-F383 HydrophobicContact CD2-CE1 3.97Å; W211-F383 AromaticContact CG-CD1 3.58Å; W211-F383 HydrophobicContact CG-CD1 3.58Å; W211-F383 AromaticContact CG-CE1 3.53Å; W211-F383 HydrophobicContact CG-CE1 3.53Å
212G91.5Very high92.5Very high1 Ų121 Ų211%0.0112%0.123CC..EExtended strand (participates in β ladder)trans133.6-164.5172.700000114.9F214 R215 D216 V311G212-F214 PolarHBondContact O-N 2.81Å; G212-R215 WeakPolarHBondContact O-CB 3.44Å; G212-R215 PolarHBondContact O-N 3.09Å; G212-D216 PolarHBondContact O-N 3.07Å; G212-D216 VanDerWaalsContact O-N 3.12Å; G212-V311 CarbonylContact C-O 3.38Å; G212-V311 WeakPolarHBondContact CA-O 3.39Å
213S90.9Very high92.4Very high1 Ų126.2 Ų26.21%0.00714%0.142CC..Hα-helixtrans-67-37.6-163.4-66.60000114.4R215 D216 A217 Q246 H248 V311S213-R215 VanDerWaalsContact C-N 3.31Å; S213-R215 PolarHBondContact O-N 3.28Å; S213-D216 PolarHBondContact O-N 3.33Å; S213-A217 WeakPolarHBondContact O-CB 3.45Å; S213-A217 PolarHBondContact O-N 2.59Å; S213-Q246 WeakPolarHBondContact OG-CB 3.46Å; S213-Q246 PolarHBondContact OG-O 3.22Å; S213-H248 PolarHBondContact OG-NE2 3.25Å; S213-V311 PolarHBondContact N-O 3.48Å
214F92.1Very high92.4Very high4 Ų428 Ų282%0.01815%0.148CC..Hα-helixtrans-64.6-37.5177-71.7-55.6000112G212 G218 V311 E312 I340 F345 I348 K352G212-F214 PolarHBondContact O-N 2.81Å; F214-G218 PolarHBondContact O-N 3.16Å; F214-V311 HydrophobicContact CD2-CG1 4.37Å; F214-V311 HydrophobicContact CE2-CG1 4.2Å; F214-E312 WeakPolarHBondContact CB-OE2 3.35Å; F214-E312 HydrophobicContact CD2-CB 3.85Å; F214-E312 WeakPolarHBondContact CD2-OE2 3.49Å; F214-I340 HydrophobicContact CZ-CD1 4.01Å; F214-F345 AromaticContact CD1-CD2 3.94Å; F214-F345 HydrophobicContact CD1-CD2 3.94Å; F214-F345 AromaticContact CD1-CE2 3.51Å; F214-F345 HydrophobicContact CD1-CE2 3.51Å; F214-F345 HydrophobicContact CD1-CZ 4.03Å; F214-F345 AromaticContact CE1-CD2 3.25Å; F214-F345 HydrophobicContact CE1-CD2 3.25Å; F214-F345 AromaticContact CE1-CE2 3.35Å; F214-F345 HydrophobicContact CE1-CE2 3.35Å; F214-F345 AromaticContact CE1-CG 3.97Å; F214-F345 HydrophobicContact CE1-CG 3.97Å; F214-F345 HydrophobicContact CE1-CZ 4.14Å; F214-F345 WeakPolarHBondContact CE1-O 3.45Å; F214-F345 HydrophobicContact CE2-CD2 4.41Å; F214-F345 HydrophobicContact CE2-CE2 4.46Å; F214-F345 HydrophobicContact CG-CE2 4.13Å; F214-F345 AromaticContact CZ-CD2 3.56Å; F214-F345 HydrophobicContact CZ-CD2 3.56Å; F214-F345 AromaticContact CZ-CE2 3.89Å; F214-F345 HydrophobicContact CZ-CE2 3.89Å; F214-F345 HydrophobicContact CZ-CG 4.46Å; F214-I348 HydrophobicContact CZ-CG2 4.35Å; F214-K352 HydrophobicContact CD2-CD 4.16Å; F214-K352 HydrophobicContact CG-CD 4.3Å
215R91.8Very high92.2Very high13 Ų1337.2 Ų37.25%0.04918%0.183CC..Hα-helixtrans-63.8-48.7174.3174.2-86-173.6-154.3-4.3110.3G212 S213 A217 G218 V219 S382 F383 E389G212-R215 WeakPolarHBondContact O-CB 3.44Å; G212-R215 PolarHBondContact O-N 3.09Å; S213-R215 VanDerWaalsContact C-N 3.31Å; S213-R215 PolarHBondContact O-N 3.28Å; R215-A217 PolarHBondContact O-N 3.15Å; R215-G218 WeakPolarHBondContact O-CA 3.35Å; R215-G218 PolarHBondContact O-N 2.95Å; R215-V219 PolarHBondContact O-N 2.85Å; R215-S382 PolarHBondContact NE-O 2.92Å; R215-F383 PolarHBondContact NH2-O 2.91Å; R215-E389 IonicContact CZ-OE1 3.52Å; R215-E389 IonicContact NH1-OE1 3.16Å; R215-E389 PolarHBondContact NH1-OE1 2.89Å; R215-E389 IonicContact NH2-OE1 2.68Å; R215-E389 PolarHBondContact NH2-OE1 3.49Å
216D91.4Very high92.1Very high42 Ų4243.6 Ų43.623%0.22521%0.208CC..Hα-helixtrans-65-37.5-179.1-72.5-15.4000113.2G212 S213 G218 K220G212-D216 PolarHBondContact O-N 3.07Å; G212-D216 VanDerWaalsContact O-N 3.12Å; S213-D216 PolarHBondContact O-N 3.33Å; D216-G218 VanDerWaalsContact C-N 3.35Å; D216-K220 WeakPolarHBondContact O-CG 3.41Å; D216-K220 PolarHBondContact O-N 3.44Å
217A91.3Very high92Very high0 Ų046 Ų460%022%0.22CC..Hα-helixtrans-62.7-43.917100000110.8S213 R215 V219 K220 V221S213-A217 WeakPolarHBondContact O-CB 3.45Å; S213-A217 PolarHBondContact O-N 2.59Å; R215-A217 PolarHBondContact O-N 3.15Å; A217-V219 PolarHBondContact O-N 3.03Å; A217-K220 PolarHBondContact O-N 3.34Å; A217-V221 WeakPolarHBondContact O-CG2 3.49Å; A217-V221 PolarHBondContact O-N 3.45Å
218G91.1Very high91.9Very high25 Ų2546.9 Ų46.926%0.25823%0.233SC..Hα-helixtrans-55.7-47.8176.500000113.5F214 R215 D216 K220 V221F214-G218 PolarHBondContact O-N 3.16Å; R215-G218 WeakPolarHBondContact O-CA 3.35Å; R215-G218 PolarHBondContact O-N 2.95Å; D216-G218 VanDerWaalsContact C-N 3.35Å; G218-K220 VanDerWaalsContact C-N 3.31Å; G218-K220 PolarHBondContact O-N 3.42Å; G218-V221 VanDerWaalsContact O-CB 3.3Å; G218-V221 WeakPolarHBondContact O-CB 3.43Å; G218-V221 WeakPolarHBondContact O-CG2 3.23Å; G218-V221 PolarHBondContact O-N 3.14Å
219V91Very high91.8Very high57 Ų5752.5 Ų52.535%0.34527%0.268SS..Hα-helixtrans-60.8-41177.8174.60000111.3R215 A217 V221 S222R215-V219 PolarHBondContact O-N 2.85Å; A217-V219 PolarHBondContact O-N 3.03Å; V219-V221 VanDerWaalsContact C-N 3.29Å; V219-V221 PolarHBondContact O-N 2.83Å; V219-S222 PolarHBondContact O-OG 3.33Å
220K91.4Very high91.7Very high57 Ų5757.8 Ų57.825%0.24830%0.296CS..Hα-helixtrans-71.5-16.9-179.9-67.7169.5-169.6160.70114D216 A217 G218 S222 K223 Y224D216-K220 WeakPolarHBondContact O-CG 3.41Å; D216-K220 PolarHBondContact O-N 3.44Å; A217-K220 PolarHBondContact O-N 3.34Å; G218-K220 VanDerWaalsContact C-N 3.31Å; G218-K220 PolarHBondContact O-N 3.42Å; K220-S222 PolarHBondContact O-N 3.27Å; K220-K223 WeakPolarHBondContact O-CB 3.46Å; K220-K223 PolarHBondContact O-N 2.95Å; K220-Y224 HydrophobicContact CB-CE2 4.04Å; K220-Y224 WeakPolarHBondContact O-CD2 3.1Å
221V92.1Very high91.7Very high14 Ų1458 Ų589%0.08530%0.298CS..THydrogen-bonded Turntrans-54.5-37.6178.2176.30000111.9A217 G218 V219 K223 Y224 K231 I232 A235A217-V221 WeakPolarHBondContact O-CG2 3.49Å; A217-V221 PolarHBondContact O-N 3.45Å; G218-V221 VanDerWaalsContact O-CB 3.3Å; G218-V221 WeakPolarHBondContact O-CB 3.43Å; G218-V221 WeakPolarHBondContact O-CG2 3.23Å; G218-V221 PolarHBondContact O-N 3.14Å; V219-V221 VanDerWaalsContact C-N 3.29Å; V219-V221 PolarHBondContact O-N 2.83Å; V221-K223 VanDerWaalsContact C-N 3.34Å; V221-K223 PolarHBondContact O-N 2.68Å; V221-Y224 PolarHBondContact O-N 3.13Å; V221-K231 HydrophobicContact CG1-CD 4.16Å; V221-K231 HydrophobicContact CG1-CG 3.9Å; V221-I232 HydrophobicContact CG1-CG1 3.93Å; V221-A235 HydrophobicContact CB-CB 4.44Å; V221-A235 HydrophobicContact CG2-CB 3.67Å
222S89.6Confident91.6Very high84 Ų8458.6 Ų58.659%0.58730%0.302SS*.THydrogen-bonded Turntrans-64.7-36.4179.164.90000112.6V219 K220 Y224 W225V219-S222 PolarHBondContact O-OG 3.33Å; K220-S222 PolarHBondContact O-N 3.27Å; S222-Y224 VanDerWaalsContact C-N 3.26Å; S222-Y224 PolarHBondContact O-N 2.89Å; S222-W225 PolarHBondContact O-N 2.82Å
223K92.4Very high91.7Very high142 Ų14264.2 Ų64.262%0.61733%0.326SS*.THydrogen-bonded Turntrans-64.5-31.5179.2-61.8-176.4177-179.80111.9K220 V221 W225K220-K223 WeakPolarHBondContact O-CB 3.46Å; K220-K223 PolarHBondContact O-N 2.95Å; V221-K223 VanDerWaalsContact C-N 3.34Å; V221-K223 PolarHBondContact O-N 2.68Å; K223-W225 VanDerWaalsContact C-N 3.26Å; K223-W225 PolarHBondContact O-N 3.09Å
224Y93.4Very high91.9Very high49 Ų4964.9 Ų64.919%0.19233%0.332CS..THydrogen-bonded Turntrans-89.934.5179.7-53.7-50.3000113.7K220 V221 S222 Y226 L227 K231 A235 F238K220-Y224 HydrophobicContact CB-CE2 4.04Å; K220-Y224 WeakPolarHBondContact O-CD2 3.1Å; V221-Y224 PolarHBondContact O-N 3.13Å; S222-Y224 VanDerWaalsContact C-N 3.26Å; S222-Y224 PolarHBondContact O-N 2.89Å; Y224-Y226 HydrophobicContact CD1-CE1 4.08Å; Y224-Y226 WeakPolarHBondContact CD1-OH 3.46Å; Y224-Y226 PolarHBondContact O-N 2.82Å; Y224-Y226 VanDerWaalsContact O-N 3.08Å; Y224-L227 PolarHBondContact O-N 3.34Å; Y224-L227 VanDerWaalsContact O-N 3.07Å; Y224-K231 WeakPolarHBondContact O-CB 3.48Å; Y224-A235 HydrophobicContact CD2-CB 3.8Å; Y224-A235 HydrophobicContact CE2-CB 3.94Å; Y224-F238 HydrophobicContact CD1-CD2 4.42Å; Y224-F238 HydrophobicContact CD1-CE2 4.46Å; Y224-F238 HydrophobicContact CD2-CD2 4.44Å; Y224-F238 AromaticContact CE1-CD2 3.95Å; Y224-F238 HydrophobicContact CE1-CD2 3.95Å; Y224-F238 HydrophobicContact CE1-CE2 4.31Å; Y224-F238 AromaticContact CE2-CD2 3.98Å; Y224-F238 HydrophobicContact CE2-CD2 3.98Å; Y224-F238 AromaticContact CZ-CD2 3.7Å
225W90.9Very high92Very high199 Ų19964.7 Ų64.775%0.75433%0.331SS*.G310 helixtrans-54.9-30.1-177.468.4-92.1000113.7S222 K223 L227 G228S222-W225 PolarHBondContact O-N 2.82Å; K223-W225 VanDerWaalsContact C-N 3.26Å; K223-W225 PolarHBondContact O-N 3.09Å; W225-L227 VanDerWaalsContact C-N 3.28Å; W225-L227 PolarHBondContact O-N 2.81Å; W225-G228 PolarHBondContact O-N 2.88Å
226Y92.9Very high92Very high134 Ų13464.1 Ų64.153%0.52533%0.329SS..G310 helixtrans-69.2-18.3-179.659.4-89.5000114.3Y224 G228Y224-Y226 HydrophobicContact CD1-CE1 4.08Å; Y224-Y226 WeakPolarHBondContact CD1-OH 3.46Å; Y224-Y226 PolarHBondContact O-N 2.82Å; Y224-Y226 VanDerWaalsContact O-N 3.08Å; Y226-G228 VanDerWaalsContact C-N 3.29Å; Y226-G228 PolarHBondContact O-N 2.99Å
227L91.6Very high92.2Very high51 Ų5166.9 Ų66.927%0.26734%0.339SS..G310 helixtrans-85.93.3179.6-64.8177.9000113.7Y224 W225 P229 L230 K231 A234 F238Y224-L227 PolarHBondContact O-N 3.34Å; Y224-L227 VanDerWaalsContact O-N 3.07Å; W225-L227 VanDerWaalsContact C-N 3.28Å; W225-L227 PolarHBondContact O-N 2.81Å; L227-P229 WeakPolarHBondContact O-CD 3.39Å; L227-P229 VanDerWaalsContact O-N 3.17Å; L227-L230 HydrophobicContact CB-CB 4.44Å; L227-L230 PolarHBondContact O-N 3.15Å; L227-K231 HydrophobicContact CB-CB 4.13Å; L227-A234 HydrophobicContact CD1-CB 3.5Å; L227-A234 VanDerWaalsContact CD1-CB 3.5Å; L227-F238 HydrophobicContact CD1-CE2 4.01Å; L227-F238 HydrophobicContact CD1-CZ 4.5Å
228G90.9Very high92.3Very high36 Ų3670.6 Ų70.637%0.37136%0.355SS..G310 helixtrans52.7-118.2174.400000112.8W225 Y226 L230 K231W225-G228 PolarHBondContact O-N 2.88Å; Y226-G228 VanDerWaalsContact C-N 3.29Å; Y226-G228 PolarHBondContact O-N 2.99Å; G228-L230 VanDerWaalsContact C-N 3.28Å; G228-L230 PolarHBondContact O-N 3.2Å; G228-K231 WeakPolarHBondContact O-CD 3.36Å; G228-K231 WeakPolarHBondContact O-CG 3.47Å
229P89.6Confident92.4Very high125 Ų12569.6 Ų69.681%0.81234%0.344SS*.G310 helixtrans-69.7-22.7-178.529.9-35000113.6L227L227-P229 WeakPolarHBondContact O-CD 3.39Å; L227-P229 VanDerWaalsContact O-N 3.17Å
230L92.1Very high92.4Very high112 Ų11267.3 Ų67.359%0.58633%0.331SS*.G310 helixtrans-82.8-15.5-177-65.2176.7000112.9L227 G228 I232 K233 A234L227-L230 HydrophobicContact CB-CB 4.44Å; L227-L230 PolarHBondContact O-N 3.15Å; G228-L230 VanDerWaalsContact C-N 3.28Å; G228-L230 PolarHBondContact O-N 3.2Å; L230-I232 PolarHBondContact O-N 3.47Å; L230-K233 PolarHBondContact O-N 2.95Å; L230-K233 VanDerWaalsContact O-N 3.09Å; L230-A234 VanDerWaalsContact O-CB 3.28Å; L230-A234 WeakPolarHBondContact O-CB 2.98Å; L230-A234 PolarHBondContact O-N 3.27Å
231K93.9Very high92.4Very high60 Ų6070.2 Ų70.226%0.26135%0.348SS..Hα-helixtrans-52.4-36.4-173.572.1-176.5179.5173.90114.3V221 Y224 L227 G228 A235V221-K231 HydrophobicContact CG1-CD 4.16Å; V221-K231 HydrophobicContact CG1-CG 3.9Å; Y224-K231 WeakPolarHBondContact O-CB 3.48Å; L227-K231 HydrophobicContact CB-CB 4.13Å; G228-K231 WeakPolarHBondContact O-CD 3.36Å; G228-K231 WeakPolarHBondContact O-CG 3.47Å; K231-A235 WeakPolarHBondContact O-CB 3.37Å; K231-A235 PolarHBondContact O-N 3.12Å
232I91.5Very high92.2Very high25 Ų2577.4 Ų77.413%0.12838%0.378CS..Hα-helixtrans-68-50.2-178.9-59175.8000110V221 L230 H236 V353V221-I232 HydrophobicContact CG1-CG1 3.93Å; L230-I232 PolarHBondContact O-N 3.47Å; I232-H236 PolarHBondContact O-ND1 2.84Å; I232-V353 HydrophobicContact CG2-CB 4.32Å; I232-V353 HydrophobicContact CG2-CG1 4.45Å
233K94Very high91.9Very high119 Ų11979.3 Ų79.352%0.51738%0.378SS..Hα-helixtrans-69.6-39.8178.6-69.1-173.5176.4-172.40111.5L230 A235 H236 F237 I346L230-K233 PolarHBondContact O-N 2.95Å; L230-K233 VanDerWaalsContact O-N 3.09Å; K233-A235 VanDerWaalsContact C-N 3.32Å; K233-A235 PolarHBondContact O-N 3.44Å; K233-H236 PolarHBondContact O-N 3.46Å; K233-F237 WeakPolarHBondContact O-CB 3.36Å; K233-F237 PolarHBondContact O-N 2.95Å; K233-I346 HydrophobicContact CB-CG2 4.23Å; K233-I346 HydrophobicContact CG-CG2 4.49Å
234A94.1Very high91.6Very high15 Ų1576 Ų7612%0.12436%0.362CS..Hα-helixtrans-61.8-38178.300000112.1L227 L230 H236 F237 F238L227-A234 HydrophobicContact CD1-CB 3.5Å; L227-A234 VanDerWaalsContact CD1-CB 3.5Å; L230-A234 VanDerWaalsContact O-CB 3.28Å; L230-A234 WeakPolarHBondContact O-CB 2.98Å; L230-A234 PolarHBondContact O-N 3.27Å; A234-H236 VanDerWaalsContact C-N 3.35Å; A234-H236 PolarHBondContact O-N 3.41Å; A234-F237 PolarHBondContact O-N 2.94Å; A234-F238 HydrophobicContact CB-CD2 4.45Å; A234-F238 HydrophobicContact CB-CE2 4.15Å; A234-F238 WeakPolarHBondContact O-CB 3.23Å; A234-F238 WeakPolarHBondContact O-CD2 3.43Å; A234-F238 VanDerWaalsContact O-CG 3.27Å; A234-F238 WeakPolarHBondContact O-CG 3.25Å; A234-F238 PolarHBondContact O-N 2.81Å
235A94.1Very high90.8Very high0 Ų077.3 Ų77.30%038%0.376CS..Hα-helixtrans-59.6-45.2176.500000112.5V221 Y224 K231 K233 S239V221-A235 HydrophobicContact CB-CB 4.44Å; V221-A235 HydrophobicContact CG2-CB 3.67Å; Y224-A235 HydrophobicContact CD2-CB 3.8Å; Y224-A235 HydrophobicContact CE2-CB 3.94Å; K231-A235 WeakPolarHBondContact O-CB 3.37Å; K231-A235 PolarHBondContact O-N 3.12Å; K233-A235 VanDerWaalsContact C-N 3.32Å; K233-A235 PolarHBondContact O-N 3.44Å; A235-S239 PolarHBondContact O-N 3.26Å
236H93.5Very high90.4Very high0 Ų068.9 Ų68.90%035%0.345CS..Hα-helixtrans-67.9-44176.9-65.578.9000110.9I232 K233 A234 F238 S239 T240 F345 I346 G349I232-H236 PolarHBondContact O-ND1 2.84Å; K233-H236 PolarHBondContact O-N 3.46Å; A234-H236 VanDerWaalsContact C-N 3.35Å; A234-H236 PolarHBondContact O-N 3.41Å; H236-F238 PolarHBondContact O-N 3.44Å; H236-S239 WeakPolarHBondContact O-CB 3.43Å; H236-S239 PolarHBondContact O-N 2.74Å; H236-T240 PolarHBondContact O-N 3.35Å; H236-T240 PolarHBondContact O-OG1 3.19Å; H236-F345 HydrophobicContact CB-CD1 4.33Å; H236-F345 HydrophobicContact CB-CE1 3.99Å; H236-F345 AromaticContact CD2-CE1 3.96Å; H236-I346 HydrophobicContact CB-CB 4.38Å; H236-I346 HydrophobicContact CB-CG1 4.1Å; H236-I346 HydrophobicContact CB-CG2 4.38Å; H236-G349 VanDerWaalsContact NE2-C 3.34Å; H236-G349 WeakPolarHBondContact NE2-CA 3.3Å; H236-G349 PolarHBondContact NE2-O 2.9Å
237F94.3Very high90.2Very high101 Ų10165.1 Ų65.144%0.44334%0.336SS..Hα-helixtrans-59.8-47.3177.8-177.3-97.9000112.4K233 A234 S239 T240 L241 I346K233-F237 WeakPolarHBondContact O-CB 3.36Å; K233-F237 PolarHBondContact O-N 2.95Å; A234-F237 PolarHBondContact O-N 2.94Å; F237-S239 VanDerWaalsContact C-N 3.3Å; F237-S239 PolarHBondContact O-N 3.01Å; F237-T240 WeakPolarHBondContact O-CB 3.2Å; F237-T240 PolarHBondContact O-N 3.04Å; F237-L241 HydrophobicContact CD1-CD1 4.06Å; F237-L241 HydrophobicContact CD1-CG 4.3Å; F237-L241 HydrophobicContact CE1-CD1 3.57Å; F237-L241 HydrophobicContact CE1-CD2 4.38Å; F237-L241 HydrophobicContact CE1-CG 4Å; F237-L241 HydrophobicContact CZ-CD1 4.24Å; F237-L241 HydrophobicContact CZ-CD2 4.27Å; F237-L241 HydrophobicContact CZ-CG 4.36Å; F237-L241 PolarHBondContact O-N 3.36Å; F237-I346 HydrophobicContact CB-CD1 4.08Å; F237-I346 HydrophobicContact CD2-CD1 3.7Å; F237-I346 HydrophobicContact CG-CD1 4.39Å
238F93.9Very high89.9Confident77 Ų7764.7 Ų64.734%0.33833%0.333SS..Hα-helixtrans-67.2-30.1176.7-65.1-29.8000112.6Y224 L227 A234 H236 L241 K242Y224-F238 HydrophobicContact CD1-CD2 4.42Å; Y224-F238 HydrophobicContact CD1-CE2 4.46Å; Y224-F238 HydrophobicContact CD2-CD2 4.44Å; Y224-F238 AromaticContact CE1-CD2 3.95Å; Y224-F238 HydrophobicContact CE1-CD2 3.95Å; Y224-F238 HydrophobicContact CE1-CE2 4.31Å; Y224-F238 AromaticContact CE2-CD2 3.98Å; Y224-F238 HydrophobicContact CE2-CD2 3.98Å; Y224-F238 AromaticContact CZ-CD2 3.7Å; L227-F238 HydrophobicContact CD1-CE2 4.01Å; L227-F238 HydrophobicContact CD1-CZ 4.5Å; A234-F238 HydrophobicContact CB-CD2 4.45Å; A234-F238 HydrophobicContact CB-CE2 4.15Å; A234-F238 WeakPolarHBondContact O-CB 3.23Å; A234-F238 WeakPolarHBondContact O-CD2 3.43Å; A234-F238 VanDerWaalsContact O-CG 3.27Å; A234-F238 WeakPolarHBondContact O-CG 3.25Å; A234-F238 PolarHBondContact O-N 2.81Å; H236-F238 PolarHBondContact O-N 3.44Å; F238-L241 HydrophobicContact CD1-CD1 4.2Å; F238-L241 PolarHBondContact O-N 3.06Å; F238-K242 PolarHBondContact O-N 3.06Å
239S92.3Very high89.9Confident4 Ų469.6 Ų69.63%0.02835%0.346CS..Hα-helixtrans-61.7-46.9170.4-154.30000110.8A235 H236 F237 L241 K242 E243 Q246A235-S239 PolarHBondContact O-N 3.26Å; H236-S239 WeakPolarHBondContact O-CB 3.43Å; H236-S239 PolarHBondContact O-N 2.74Å; F237-S239 VanDerWaalsContact C-N 3.3Å; F237-S239 PolarHBondContact O-N 3.01Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 3.32Å; S239-K242 PolarHBondContact O-N 2.85Å; S239-E243 PolarHBondContact O-N 3.1Å; S239-Q246 PolarHBondContact O-NE2 3.4Å; S239-Q246 PolarHBondContact OG-NE2 2.77Å; S239-Q246 PolarHBondContact OG-OE1 3.37Å
240T92.8Very high89.8Confident10 Ų1064 Ų646%0.06131%0.31CS..Hα-helixtrans-64.9-30.6178.9-51.10000113.7H236 F237 W244 K342H236-T240 PolarHBondContact O-N 3.35Å; H236-T240 PolarHBondContact O-OG1 3.19Å; F237-T240 WeakPolarHBondContact O-CB 3.2Å; F237-T240 PolarHBondContact O-N 3.04Å; T240-W244 HydrophobicContact CG2-CB 4.45Å; T240-W244 HydrophobicContact CG2-CD2 4.15Å; T240-W244 HydrophobicContact CG2-CE3 3.8Å; T240-W244 HydrophobicContact CG2-CG 4.46Å; T240-W244 HydrophobicContact CG2-CZ3 4.41Å; T240-K342 HydrophobicContact CG2-CB 3.89Å; T240-K342 HydrophobicContact CG2-CD 3.6Å; T240-K342 HydrophobicContact CG2-CG 3.53Å
241L91.1Very high89.8Confident117 Ų11760.5 Ų60.561%0.61330%0.295SS*.Hα-helixtrans-72.5-30.8175.7-71-173.4000113F237 F238 S239F237-L241 HydrophobicContact CD1-CD1 4.06Å; F237-L241 HydrophobicContact CD1-CG 4.3Å; F237-L241 HydrophobicContact CE1-CD1 3.57Å; F237-L241 HydrophobicContact CE1-CD2 4.38Å; F237-L241 HydrophobicContact CE1-CG 4Å; F237-L241 HydrophobicContact CZ-CD1 4.24Å; F237-L241 HydrophobicContact CZ-CD2 4.27Å; F237-L241 HydrophobicContact CZ-CG 4.36Å; F237-L241 PolarHBondContact O-N 3.36Å; F238-L241 HydrophobicContact CD1-CD1 4.2Å; F238-L241 PolarHBondContact O-N 3.06Å; S239-L241 VanDerWaalsContact C-N 3.32Å; S239-L241 PolarHBondContact O-N 3.32Å
242K87.9Confident89.8Confident166 Ų16657.7 Ų57.772%0.72228%0.283SS*.Hα-helixtrans-68.4-48.2-179.1-171-173.6177.1-161.80110.5F238 S239F238-K242 PolarHBondContact O-N 3.06Å; S239-K242 PolarHBondContact O-N 2.85Å
243E82.5Confident89.9Confident124 Ų12457.4 Ų57.458%0.57928%0.283SS*.  trans-158.2139.3-175.2-171166.1-16300109.4S239 Q246S239-E243 PolarHBondContact O-N 3.1Å; E243-Q246 HydrophobicContact CB-CG 4.23Å; E243-Q246 WeakPolarHBondContact O-CG 3.28Å; E243-Q246 PolarHBondContact O-NE2 3.29Å
244W86.1Confident89.9Confident72 Ų7253.5 Ų53.527%0.27327%0.265SS..SBendtrans-158.4131.2174.4-178.3-86.7000110.6T240 I340 K342 F345T240-W244 HydrophobicContact CG2-CB 4.45Å; T240-W244 HydrophobicContact CG2-CD2 4.15Å; T240-W244 HydrophobicContact CG2-CE3 3.8Å; T240-W244 HydrophobicContact CG2-CG 4.46Å; T240-W244 HydrophobicContact CG2-CZ3 4.41Å; W244-I340 HydrophobicContact CH2-CG2 4.15Å; W244-I340 WeakPolarHBondContact CH2-O 3.48Å; W244-I340 WeakPolarHBondContact CZ2-O 3.38Å; W244-K342 HydrophobicContact CD2-CD 4.36Å; W244-K342 HydrophobicContact CD2-CG 3.67Å; W244-K342 VanDerWaalsContact CE2-CG 3.45Å; W244-K342 HydrophobicContact CE3-CG 4.18Å; W244-K342 HydrophobicContact CG-CD 4.26Å; W244-K342 HydrophobicContact CG-CG 4.07Å; W244-K342 HydrophobicContact CH2-CG 4.2Å; W244-K342 HydrophobicContact CZ2-CB 4.44Å; W244-K342 HydrophobicContact CZ2-CG 3.7Å; W244-K342 HydrophobicContact CZ3-CG 4.43Å; W244-F345 HydrophobicContact CH2-CB 3.96Å; W244-F345 HydrophobicContact CH2-CG 4.34Å; W244-F345 HydrophobicContact CZ3-CB 4.05Å; W244-F345 HydrophobicContact CZ3-CD1 4.33Å; W244-F345 HydrophobicContact CZ3-CD2 4.28Å; W244-F345 AromaticContact CZ3-CG 3.97Å; W244-F345 HydrophobicContact CZ3-CG 3.97Å
245P76.3Confident89.8Confident76 Ų7653.7 Ų53.749%0.49427%0.265SS..SBendcis-77.6140.32.732.2-35.5000112.9T247P245-T247 HydrophobicContact CB-CG2 4.21Å; P245-T247 PolarHBondContact O-N 3.42Å
246Q83.8Confident89.5Confident23 Ų2355.4 Ų55.411%0.10728%0.282CS..  trans-92.578.3175.7-64.5-177.4-3400109S213 S239 E243S213-Q246 WeakPolarHBondContact OG-CB 3.46Å; S213-Q246 PolarHBondContact OG-O 3.22Å; S239-Q246 PolarHBondContact O-NE2 3.4Å; S239-Q246 PolarHBondContact OG-NE2 2.77Å; S239-Q246 PolarHBondContact OG-OE1 3.37Å; E243-Q246 HydrophobicContact CB-CG 4.23Å; E243-Q246 WeakPolarHBondContact O-CG 3.28Å; E243-Q246 PolarHBondContact O-NE2 3.29Å
247T86.9Confident89.3Confident54 Ų5457.7 Ų57.733%0.33130%0.297SS..  trans-100.7140.5179.350.80000110.9P245 T310 D338P245-T247 HydrophobicContact CB-CG2 4.21Å; P245-T247 PolarHBondContact O-N 3.42Å; T247-T310 WeakPolarHBondContact CA-O 3.35Å; T247-D338 HydrophobicContact CG2-CB 3.44Å; T247-D338 VanDerWaalsContact CG2-CB 3.44Å
248H86.4Confident88.8Confident43 Ų4356.5 Ų56.520%0.19930%0.299CS..EExtended strand (participates in β ladder)trans-115.4127.2175.6-53.7-75.2000108.2W211 S213 T310W211-H248 HydrophobicContact CH2-CB 3.56Å; W211-H248 HydrophobicContact CZ2-CB 3.81Å; W211-H248 HydrophobicContact CZ3-CB 3.95Å; S213-H248 PolarHBondContact OG-NE2 3.25Å; H248-T310 PolarHBondContact N-O 2.84Å; H248-T310 PolarHBondContact O-N 2.7Å
249Q89.9Confident88.2Confident138 Ų13858.5 Ų58.565%0.64531%0.309SS*.EExtended strand (participates in β ladder)trans-91.8133174.1-68.3-175.9-100109.7L308 P376Q249-L308 CarbonylContact C-O 3.35Å; Q249-L308 VanDerWaalsContact CA-O 3.28Å; Q249-L308 WeakPolarHBondContact CA-O 3.15Å; Q249-P376 WeakPolarHBondContact O-CD 3.35Å; Q249-P376 VanDerWaalsContact O-CG 3.31Å; Q249-P376 WeakPolarHBondContact O-CG 3.31Å
250A89.1Confident87.4Confident7 Ų761.7 Ų61.76%0.05832%0.32CS..EExtended strand (participates in β ladder)trans-149.2160.617100000110.7W211 L308 L373W211-A250 HydrophobicContact CH2-CB 3.79Å; W211-A250 HydrophobicContact CZ3-CB 3.42Å; W211-A250 VanDerWaalsContact CZ3-CB 3.42Å; A250-L308 PolarHBondContact N-O 3.48Å; A250-L308 PolarHBondContact O-N 3.23Å; A250-L373 HydrophobicContact CB-CD1 3.95Å
251S92Very high86.4Confident39 Ų3964.9 Ų64.927%0.27334%0.341SS..EExtended strand (participates in β ladder)trans-110.7134.2170.7-56.80000109.1L374S251-L374 PolarHBondContact N-O 2.9Å; S251-L374 PolarHBondContact O-N 3.33Å
252I92.9Very high85Confident2 Ų265.2 Ų65.21%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-115.9136.7172.563.4168.1000109.8Y254 D305 V306 L308 L313 I333 I335 L366 T372 L373I252-Y254 HydrophobicContact CD1-CD1 4.27Å; I252-D305 CarbonylContact O-C 3.58Å; I252-D305 WeakPolarHBondContact O-CA 3.43Å; I252-V306 HydrophobicContact CD1-CB 4.42Å; I252-V306 HydrophobicContact CG1-CB 3.89Å; I252-V306 PolarHBondContact N-O 2.99Å; I252-V306 PolarHBondContact O-N 3.07Å; I252-L308 HydrophobicContact CB-CD1 4.48Å; I252-L308 HydrophobicContact CD1-CD1 3.56Å; I252-L308 HydrophobicContact CG1-CD1 3.64Å; I252-L308 HydrophobicContact CG1-CG 4.41Å; I252-L308 HydrophobicContact CG2-CD1 4.1Å; I252-L313 HydrophobicContact CG2-CD2 4.4Å; I252-I333 HydrophobicContact CD1-CG2 4.3Å; I252-I335 HydrophobicContact CD1-CD1 4.06Å; I252-L366 HydrophobicContact CD1-CD2 4.13Å; I252-T372 WeakPolarHBondContact CA-O 3.28Å; I252-L373 HydrophobicContact CG2-CD1 3.52Å
253S93.8Very high83.4Confident19 Ų1962 Ų6213%0.13335%0.349CS..EExtended strand (participates in β ladder)trans-117.9120.3171.3-58.50000107.1K304 D305 C371 T372S253-K304 WeakPolarHBondContact CA-O 3.47Å; S253-D305 WeakPolarHBondContact CB-OD1 3.38Å; S253-D305 PolarHBondContact OG-OD1 3.36Å; S253-C371 CarbonylContact O-C 3.59Å; S253-C371 WeakPolarHBondContact O-CA 3.45Å; S253-T372 PolarHBondContact N-O 3.17Å; S253-T372 PolarHBondContact O-N 3.09Å
254Y93.5Very high81.7Confident37 Ų3764.3 Ų64.315%0.14536%0.36CS..EExtended strand (participates in β ladder)trans-135156-174.573.8-84.8000113.6I252 K304 V306 L366 A368 R370I252-Y254 HydrophobicContact CD1-CD1 4.27Å; Y254-K304 HydrophobicContact CD1-CB 4.44Å; Y254-K304 WeakPolarHBondContact CD1-O 3.44Å; Y254-K304 HydrophobicContact CE1-CB 4.03Å; Y254-K304 PolarHBondContact N-O 2.85Å; Y254-K304 PolarHBondContact O-N 2.96Å; Y254-V306 HydrophobicContact CE1-CG2 3.77Å; Y254-L366 HydrophobicContact CD1-CD1 4.1Å; Y254-L366 HydrophobicContact CD2-CD1 4.01Å; Y254-L366 HydrophobicContact CE1-CD1 4.09Å; Y254-L366 HydrophobicContact CE1-CD2 4.24Å; Y254-L366 HydrophobicContact CE2-CD1 3.98Å; Y254-L366 HydrophobicContact CG-CD1 4.06Å; Y254-A368 HydrophobicContact CD2-CB 3.81Å; Y254-A368 HydrophobicContact CG-CB 4.28Å; Y254-R370 WeakPolarHBondContact CA-O 3.41Å
255T92.8Very high79.5Confident19 Ų1966.3 Ų66.312%0.11738%0.382CS..EExtended strand (participates in β ladder)trans-110.3144.4176.6-40.50000109.2A368 S369 R370T255-A368 CarbonylContact O-C 3.48Å; T255-A368 WeakPolarHBondContact O-CA 3.02Å; T255-A368 VanDerWaalsContact O-CB 3.27Å; T255-A368 WeakPolarHBondContact O-CB 3.37Å; T255-S369 PolarHBondContact O-N 3.49Å; T255-R370 PolarHBondContact N-O 3.4Å
256G88.3Confident77.7Confident35 Ų3571.3 Ų71.336%0.36140%0.398SS..PPolyproline II helixtrans-61.7172.6179.800000114.5S369G256-S369 WeakPolarHBondContact O-CB 3.44Å; G256-S369 PolarHBondContact O-N 3.2Å; G256-S369 PolarHBondContact O-OG 2.97Å
257P88.1Confident75.4Confident49 Ų4978 Ų7832%0.31843%0.43SS..PPolyproline II helixtrans-53.8146.7176.6-27.336.7000113E328 F330 Q367P257-E328 HydrophobicContact CB-CB 4.21Å; P257-E328 HydrophobicContact CB-CG 4.48Å; P257-E328 WeakPolarHBondContact CB-OE2 3.4Å; P257-F330 HydrophobicContact CB-CB 3.98Å; P257-F330 HydrophobicContact CB-CD1 4.28Å; P257-F330 HydrophobicContact CB-CG 4.45Å; P257-F330 HydrophobicContact CG-CB 4.18Å; P257-F330 HydrophobicContact CG-CG 4.47Å; P257-Q367 HydrophobicContact CG-CB 4.01Å
258T84.4Confident72.8Confident76 Ų7680.7 Ų80.747%0.46645%0.447SS..EExtended strand (participates in β ladder)trans-100.4134176.1-54.10000109.6R260 E328 D329 S369T258-R260 PolarHBondContact O-N 3.44Å; T258-E328 WeakPolarHBondContact O-CA 3.43Å; T258-D329 PolarHBondContact N-O 3.13Å; T258-D329 PolarHBondContact O-N 3.35Å; T258-S369 WeakPolarHBondContact OG1-CB 3.24Å; T258-S369 PolarHBondContact OG1-OG 2.77Å
259E80.9Confident70.6Confident119 Ų11984.4 Ų84.456%0.55647%0.474SS*.EExtended strand (participates in β ladder)trans-62.4136.9173.7-68.9-158.4146.400110.6P261 K327E259-P261 WeakPolarHBondContact O-CD 3.35Å; E259-K327 IonicContact OE1-NZ 2.85Å; E259-K327 PolarHBondContact OE1-NZ 2.91Å
260R76.4Confident68.3Low70 Ų7083.2 Ų83.226%0.26448%0.476SS..PPolyproline II helixtrans-64.8124.1-179.5-179.6172.5-70.5172.72.2109.7T258 P324 S326 K327 D329T258-R260 PolarHBondContact O-N 3.44Å; R260-P324 PolarHBondContact NH1-O 2.9Å; R260-S326 PolarHBondContact NE-O 3.38Å; R260-S326 PolarHBondContact NH1-O 3.39Å; R260-S326 PolarHBondContact NH2-O 2.99Å; R260-K327 WeakPolarHBondContact CB-O 3.49Å; R260-K327 PolarHBondContact N-O 2.96Å; R260-D329 IonicContact CZ-OD1 3Å; R260-D329 IonicContact NE-OD1 3.77Å; R260-D329 PolarHBondContact NE-OD1 2.79Å; R260-D329 IonicContact NE-OD2 3.44Å; R260-D329 IonicContact NH2-OD1 3.58Å; R260-D329 PolarHBondContact NH2-OD1 3.17Å
261P71Confident66.8Low77 Ų7791.5 Ų91.550%0.551%0.514SS..PPolyproline II helixtrans-62.8141.4171.225.4-32.7000109.4E259 S263E259-P261 WeakPolarHBondContact O-CD 3.35Å; P261-S263 PolarHBondContact O-N 2.75Å
262P61.9Low64.9Low124 Ų12499.8 Ų99.881%0.80554%0.539SS*.PPolyproline II helixtrans-54.2131.3177.422.1-31.2000108.9E264P262-E264 PolarHBondContact O-N 3.07Å; P262-E264 VanDerWaalsContact O-N 3.13Å
263S54.4Low63.7Low98 Ų98101.4 Ų101.469%0.68555%0.55SS*.PPolyproline II helixtrans-53.5122.1-178.450.20000109.2P261P261-S263 PolarHBondContact O-N 2.75Å
264E46.5Very low63Low174 Ų174104.2 Ų104.281%0.81357%0.57SS**PPolyproline II helixtrans-55.3125.5166.8-68.1-174.7167.800107.2P262 E266P262-E264 PolarHBondContact O-N 3.07Å; P262-E264 VanDerWaalsContact O-N 3.13Å; E264-E266 PolarHBondContact O-N 2.72Å
265P39.8Very low62.2Low113 Ų113109 Ų10973%0.73460%0.597SS**PPolyproline II helixtrans-58.6135.7178.922.5-30.8000108.4E267P265-E267 PolarHBondContact O-N 3Å
266E39.6Very low61.6Low181 Ų181116.2 Ų116.285%0.84662%0.623SS**  trans-43.8119.5172.9-77.1-178.416200108.5E264 T268E264-E266 PolarHBondContact O-N 2.72Å; E266-T268 PolarHBondContact O-N 2.86Å
267E35.4Very low61.1Low163 Ų163121.9 Ų121.976%0.76263%0.634SS**  trans-62.392.3177.3-71.4-173157.300107.7P265P265-E267 PolarHBondContact O-N 3Å
268T32.7Very low60.6Low112 Ų112124.8 Ų124.869%0.68764%0.638SS**  trans-48.7133.5161.348.90000106.8E266 V270E266-T268 PolarHBondContact O-N 2.86Å; T268-V270 PolarHBondContact O-N 2.79Å
269P38.6Very low60.5Low121 Ų121125.5 Ų125.579%0.78664%0.638SS**  trans-50.9113.5-175.818.3-30.6000108.2Q271P269-Q271 VanDerWaalsContact C-N 3.32Å; P269-Q271 PolarHBondContact O-N 3.28Å
270V43.3Very low60.5Low113 Ų113123.7 Ų123.769%0.68563%0.632SS**  trans-6396.6-170.2179.50000107.5T268 R272T268-V270 PolarHBondContact O-N 2.79Å; V270-R272 PolarHBondContact O-N 2.88Å; V270-R272 VanDerWaalsContact O-N 3.14Å
271Q55.6Low60.6Low181 Ų181128.4 Ų128.485%0.84665%0.65SS**PPolyproline II helixtrans-54.4124.3164.6-68.8-171.19.400106P269 P273P269-Q271 VanDerWaalsContact C-N 3.32Å; P269-Q271 PolarHBondContact O-N 3.28Å; Q271-P273 WeakPolarHBondContact O-CD 3.35Å
272R53.6Low60.9Low212 Ų212134 Ų13480%0.866%0.661SS**PPolyproline II helixtrans-46.8117.4-177.6-95.1-173.8167.7171.1-1108.2V270 S274V270-R272 PolarHBondContact O-N 2.88Å; V270-R272 VanDerWaalsContact O-N 3.14Å; R272-S274 PolarHBondContact O-N 3.37Å
273P66.5Low61.7Low37 Ų37132.3 Ų132.324%0.2465%0.645CS.*PPolyproline II helixtrans-60.3141-178.420.9-31000109.2Q271 R277 R278Q271-P273 WeakPolarHBondContact O-CD 3.35Å; P273-R277 HydrophobicContact CB-CB 4.36Å; P273-R278 HydrophobicContact CG-CG 4.3Å; P273-R278 PolarHBondContact O-NE 3Å
274S78.9Confident62.8Low78 Ų78130.4 Ų130.455%0.54564%0.635SS.*PPolyproline II helixtrans-52150.2-179.2620000112R272 Y276 R277 R278R272-S274 PolarHBondContact O-N 3.37Å; S274-Y276 PolarHBondContact O-N 3.2Å; S274-Y276 VanDerWaalsContact O-N 3.16Å; S274-R277 WeakPolarHBondContact O-CB 3.49Å; S274-R277 PolarHBondContact O-N 3.02Å; S274-R278 PolarHBondContact O-N 3.48Å
275L78.1Confident64Low137 Ų137125.8 Ų125.872%0.71762%0.622SS**Hα-helixtrans-50.2-41.7-177.5-102.5156.3000112.6R277 R278 I279L275-R277 PolarHBondContact O-N 3.13Å; L275-R278 PolarHBondContact O-N 3.15Å; L275-I279 WeakPolarHBondContact O-CG1 3.41Å; L275-I279 PolarHBondContact O-N 3.29Å
276Y79.2Confident65.5Low170 Ų170130.1 Ų130.167%0.66763%0.625SS**Hα-helixtrans-60.5-44176.7-178.1-110.6000112.6S274 R278 I279 L280S274-Y276 PolarHBondContact O-N 3.2Å; S274-Y276 VanDerWaalsContact O-N 3.16Å; Y276-R278 VanDerWaalsContact C-N 3.28Å; Y276-R278 PolarHBondContact O-N 3.33Å; Y276-I279 PolarHBondContact O-N 2.8Å; Y276-L280 HydrophobicContact CD1-CD1 4.03Å; Y276-L280 HydrophobicContact CE1-CD1 3.32Å; Y276-L280 HydrophobicContact CE2-CD1 4.26Å; Y276-L280 VanDerWaalsContact CZ-CD1 3.45Å; Y276-L280 WeakPolarHBondContact O-CB 3.42Å; Y276-L280 PolarHBondContact O-N 3.38Å
277R77.5Confident66.9Low154 Ų154131.5 Ų131.558%0.58162%0.623SS**Hα-helixtrans-65.9-30.5179.8-157.8174.5-165.2-171.13.6112.4P273 S274 L275 R281P273-R277 HydrophobicContact CB-CB 4.36Å; S274-R277 WeakPolarHBondContact O-CB 3.49Å; S274-R277 PolarHBondContact O-N 3.02Å; L275-R277 PolarHBondContact O-N 3.13Å; R277-R281 PolarHBondContact O-N 3.31Å
278R78.7Confident68.3Low111 Ų111126.8 Ų126.842%0.41961%0.612SS.*Hα-helixtrans-71-43.3173-67.6179.3178.5-168.8-8.1111.9P273 S274 L275 Y276 L280 R281 R282P273-R278 HydrophobicContact CG-CG 4.3Å; P273-R278 PolarHBondContact O-NE 3Å; S274-R278 PolarHBondContact O-N 3.48Å; L275-R278 PolarHBondContact O-N 3.15Å; Y276-R278 VanDerWaalsContact C-N 3.28Å; Y276-R278 PolarHBondContact O-N 3.33Å; R278-L280 VanDerWaalsContact C-N 3.31Å; R278-R281 PolarHBondContact O-N 3.23Å; R278-R282 VanDerWaalsContact O-CB 3.28Å; R278-R282 WeakPolarHBondContact O-CB 3.44Å; R278-R282 PolarHBondContact O-N 2.66Å
279I81.6Confident69.5Low91 Ų91129.7 Ų129.747%0.46762%0.617SS.*Hα-helixtrans-62.6-43.6175.6-65.8163.8000109.6L275 Y276 R282 L283L275-I279 WeakPolarHBondContact O-CG1 3.41Å; L275-I279 PolarHBondContact O-N 3.29Å; Y276-I279 PolarHBondContact O-N 2.8Å; I279-R282 PolarHBondContact O-N 3.42Å; I279-L283 HydrophobicContact CG2-CD1 3.88Å; I279-L283 HydrophobicContact CG2-CG 4.37Å; I279-L283 WeakPolarHBondContact O-CB 3.05Å; I279-L283 VanDerWaalsContact O-CG 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.29Å; I279-L283 PolarHBondContact O-N 3.04Å
280L81.6Confident69.9Low81 Ų81129.6 Ų129.642%0.42462%0.617SS.*Hα-helixtrans-64.4-42.5178.5-132152.3000112.6Y276 R278 L283 A284Y276-L280 HydrophobicContact CD1-CD1 4.03Å; Y276-L280 HydrophobicContact CE1-CD1 3.32Å; Y276-L280 HydrophobicContact CE2-CD1 4.26Å; Y276-L280 VanDerWaalsContact CZ-CD1 3.45Å; Y276-L280 WeakPolarHBondContact O-CB 3.42Å; Y276-L280 PolarHBondContact O-N 3.38Å; R278-L280 VanDerWaalsContact C-N 3.31Å; L280-L283 PolarHBondContact O-N 3.3Å; L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.33Å; L280-A284 PolarHBondContact O-N 3.15Å
281R78.6Confident69.9Low169 Ų169132.2 Ų132.264%0.63862%0.621SS**Hα-helixtrans-63.2-42.8172.5-82.9-172.5-177.7179.80.5111.8R277 R278 L283 A284 S285R277-R281 PolarHBondContact O-N 3.31Å; R278-R281 PolarHBondContact O-N 3.23Å; R281-L283 VanDerWaalsContact C-N 3.34Å; R281-A284 PolarHBondContact O-N 3.39Å; R281-S285 PolarHBondContact O-N 2.93Å; R281-S285 PolarHBondContact O-OG 3.06Å
282R76.6Confident69.3Low193 Ų193130.6 Ų130.673%0.72862%0.618SS**Hα-helixtrans-66.5-37.7-179.3-164.6-177.2-103.8-177.2-7.8111.5R278 I279 S285 Y286R278-R282 VanDerWaalsContact O-CB 3.28Å; R278-R282 WeakPolarHBondContact O-CB 3.44Å; R278-R282 PolarHBondContact O-N 2.66Å; I279-R282 PolarHBondContact O-N 3.42Å; R282-S285 VanDerWaalsContact C-OG 3.32Å; R282-S285 VanDerWaalsContact CA-OG 3.29Å; R282-S285 WeakPolarHBondContact CA-OG 3.37Å; R282-S285 PolarHBondContact O-OG 3.23Å; R282-Y286 WeakPolarHBondContact O-CB 3.29Å; R282-Y286 PolarHBondContact O-N 3.43Å; R282-Y286 VanDerWaalsContact O-N 3.15Å
283L79.3Confident68.7Low90 Ų90124.8 Ų124.847%0.47162%0.616SS.*Hα-helixtrans-65.7-51.7169.8-72.5169.8000110I279 L280 R281 S285 Y286 W287I279-L283 HydrophobicContact CG2-CD1 3.88Å; I279-L283 HydrophobicContact CG2-CG 4.37Å; I279-L283 WeakPolarHBondContact O-CB 3.05Å; I279-L283 VanDerWaalsContact O-CG 3.31Å; I279-L283 WeakPolarHBondContact O-CG 3.29Å; I279-L283 PolarHBondContact O-N 3.04Å; L280-L283 PolarHBondContact O-N 3.3Å; R281-L283 VanDerWaalsContact C-N 3.34Å; L283-S285 PolarHBondContact O-N 3.37Å; L283-Y286 CarbonylContact O-C 3.57Å; L283-Y286 WeakPolarHBondContact O-CA 3.4Å; L283-Y286 VanDerWaalsContact O-CB 3.26Å; L283-Y286 WeakPolarHBondContact O-CB 3.38Å; L283-Y286 PolarHBondContact O-N 3.4Å; L283-W287 PolarHBondContact O-N 3.46Å
284A77.1Confident67.2Low58 Ų58130.4 Ų130.448%0.47964%0.643SS.*Hα-helixtrans-54.4-38.7178.200000112.7L280 R281 Y286 W287 A288L280-A284 VanDerWaalsContact O-CB 3.24Å; L280-A284 WeakPolarHBondContact O-CB 3.33Å; L280-A284 PolarHBondContact O-N 3.15Å; R281-A284 PolarHBondContact O-N 3.39Å; A284-Y286 VanDerWaalsContact C-N 3.34Å; A284-W287 PolarHBondContact O-N 3.03Å; A284-A288 VanDerWaalsContact O-CB 3.27Å; A284-A288 WeakPolarHBondContact O-CB 3.42Å; A284-A288 PolarHBondContact O-N 3.24Å
285S70.9Confident65.1Low77 Ų77131.8 Ų131.854%0.53865%0.653SS.*Hα-helixtrans-72.1-23.6173.350.50000114.4R281 R282 L283R281-S285 PolarHBondContact O-N 2.93Å; R281-S285 PolarHBondContact O-OG 3.06Å; R282-S285 VanDerWaalsContact C-OG 3.32Å; R282-S285 VanDerWaalsContact CA-OG 3.29Å; R282-S285 WeakPolarHBondContact CA-OG 3.37Å; R282-S285 PolarHBondContact O-OG 3.23Å; L283-S285 PolarHBondContact O-N 3.37Å
286Y72.1Confident63.1Low203 Ų203133.6 Ų133.680%0.79666%0.658SS**Hα-helixtrans-78.5-31.4175.1-135.4-93000112R282 L283 A284R282-Y286 WeakPolarHBondContact O-CB 3.29Å; R282-Y286 PolarHBondContact O-N 3.43Å; R282-Y286 VanDerWaalsContact O-N 3.15Å; L283-Y286 CarbonylContact O-C 3.57Å; L283-Y286 WeakPolarHBondContact O-CA 3.4Å; L283-Y286 VanDerWaalsContact O-CB 3.26Å; L283-Y286 WeakPolarHBondContact O-CB 3.38Å; L283-Y286 PolarHBondContact O-N 3.4Å; A284-Y286 VanDerWaalsContact C-N 3.34Å
287W68.9Low61Low211 Ų211134.7 Ų134.780%0.79967%0.669SS**Hα-helixtrans-93-16.3177.9-65.498.6000113.1L283 A284 Q289L283-W287 PolarHBondContact O-N 3.46Å; A284-W287 PolarHBondContact O-N 3.03Å; W287-Q289 PolarHBondContact O-N 3.47Å
288A64.9Low59.3Low64 Ų64132.6 Ų132.653%0.52967%0.673SS.*SBendtrans-67104.4167.600000108.1A284A284-A288 VanDerWaalsContact O-CB 3.27Å; A284-A288 WeakPolarHBondContact O-CB 3.42Å; A284-A288 PolarHBondContact O-N 3.24Å
289Q57.9Low57.7Low172 Ų172131.7 Ų131.780%0.80468%0.683SS**  trans-54.7145.5161.7-73.3-170.7-32.700108.4W287 Q291W287-Q289 PolarHBondContact O-N 3.47Å; Q289-Q291 PolarHBondContact O-N 3.28Å
290P47.4Very low56.4Low119 Ų119132.8 Ų132.877%0.77370%0.697SS**  trans-59.899.9165.325.6-28.9000105.9D292P290-D292 VanDerWaalsContact C-N 3.31Å; P290-D292 PolarHBondContact O-N 2.9Å
291Q43.9Very low55.6Low168 Ų168133.9 Ų133.979%0.78570%0.7SS**  trans-59.9112.8151.5-82.5-175.8-40.200103.1Q289 A293Q289-Q291 PolarHBondContact O-N 3.28Å; Q291-A293 PolarHBondContact O-N 2.97Å
292D42.3Very low55.8Low147 Ų147130.9 Ų130.979%0.78670%0.7SS**  trans-38116.4153.1-71.4-42.5000104.9P290 L294P290-D292 VanDerWaalsContact C-N 3.31Å; P290-D292 PolarHBondContact O-N 2.9Å; D292-L294 VanDerWaalsContact C-N 3.27Å; D292-L294 PolarHBondContact O-N 2.91Å
293A39.7Very low56.3Low90 Ų90125.9 Ų125.974%0.74468%0.681SS**  trans-49.6106.3178.200000104.7Q291 S295Q291-A293 PolarHBondContact O-N 2.97Å; A293-S295 PolarHBondContact O-N 3.17Å
294L35.1Very low56.8Low155 Ų155127.3 Ų127.381%0.81268%0.683SS**  trans-54.5103.3172.4-89.1162000102.5D292 Q296D292-L294 VanDerWaalsContact C-N 3.27Å; D292-L294 PolarHBondContact O-N 2.91Å; L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 3.33Å
295S36.2Very low57.4Low107 Ų107130.3 Ų130.375%0.74869%0.691SS**  trans-45.8107.9172.9-61.80000103.8A293 E297A293-S295 PolarHBondContact O-N 3.17Å; S295-E297 VanDerWaalsContact C-N 3.33Å; S295-E297 PolarHBondContact O-N 3.07Å
296Q36Very low58.3Low176 Ų176128.8 Ų128.882%0.82268%0.679SS**  trans-50.2113.8168.3-100175.3-3100103.6L294 V298L294-Q296 VanDerWaalsContact C-N 3.31Å; L294-Q296 PolarHBondContact O-N 3.33Å; Q296-V298 PolarHBondContact O-N 2.73Å
297E35.3Very low59.1Low192 Ų192127.3 Ų127.390%0.89768%0.679SS**  trans-58.296.2169.9-75-176.7164.100104.5S295 S299S295-E297 VanDerWaalsContact C-N 3.33Å; S295-E297 PolarHBondContact O-N 3.07Å; E297-S299 VanDerWaalsContact C-N 3.27Å; E297-S299 PolarHBondContact O-N 2.96Å
298V41.6Very low60Low111 Ų111118.4 Ų118.467%0.67365%0.647SS**  trans-63.1102.8171.4-179.40000103.2Q296Q296-V298 PolarHBondContact O-N 2.73Å
299S45Very low61.2Low91 Ų91117.3 Ų117.364%0.63664%0.635SS**  trans-44.3129.1169.852.70000107.1E297 E301E297-S299 VanDerWaalsContact C-N 3.27Å; E297-S299 PolarHBondContact O-N 2.96Å; S299-E301 PolarHBondContact O-N 3.21Å
300P54.1Low62.7Low115 Ų115109.3 Ų109.375%0.74760%0.598SS**  trans-53.1115.9-175.719.9-31.2000108.5V302P300-V302 PolarHBondContact O-N 3.46Å
301E65.4Low64.8Low104 Ų104103.8 Ų103.849%0.48656%0.562SS.*  trans-58.9113.6177.7-71.6-177.7172.300107S299 W303S299-E301 PolarHBondContact O-N 3.21Å; E301-W303 VanDerWaalsContact O-CD1 3.31Å; E301-W303 PolarHBondContact O-N 2.78Å; E301-W303 PolarHBondContact OE2-NE1 2.92Å
302V82.1Confident67.1Low105 Ų10595.8 Ų95.864%0.63653%0.525SS*.  trans-82.3101.9179-177.90000107.6P300P300-V302 PolarHBondContact O-N 3.46Å
303W87Confident69.5Low88 Ų8888.9 Ų88.933%0.33349%0.488SS..  trans-80.4131.2172.4-72.571.7000109.6E301 R370 T372E301-W303 VanDerWaalsContact O-CD1 3.31Å; E301-W303 PolarHBondContact O-N 2.78Å; E301-W303 PolarHBondContact OE2-NE1 2.92Å; W303-R370 HydrophobicContact CH2-CG 4.42Å; W303-T372 WeakPolarHBondContact CZ3-OG1 3.24Å
304K89.4Confident72.1Confident121 Ų12185 Ų8553%0.52646%0.455SS..EExtended strand (participates in β ladder)trans-108.9125.4173.2-66-179-178.3177.80108.9S253 Y254S253-K304 WeakPolarHBondContact CA-O 3.47Å; Y254-K304 HydrophobicContact CD1-CB 4.44Å; Y254-K304 WeakPolarHBondContact CD1-O 3.44Å; Y254-K304 HydrophobicContact CE1-CB 4.03Å; Y254-K304 PolarHBondContact N-O 2.85Å; Y254-K304 PolarHBondContact O-N 2.96Å
305D90.4Very high75Confident121 Ų12177.6 Ų77.665%0.64742%0.417SS*.EExtended strand (participates in β ladder)trans-99.9131.9179.1-61-33.1000110.3I252 S253I252-D305 CarbonylContact O-C 3.58Å; I252-D305 WeakPolarHBondContact O-CA 3.43Å; S253-D305 WeakPolarHBondContact CB-OD1 3.38Å; S253-D305 PolarHBondContact OG-OD1 3.36Å
306V89.8Confident77.7Confident45 Ų4574 Ų7427%0.27339%0.39SS..EExtended strand (participates in β ladder)trans-132.3121.6177.4-172.50000108.7I252 Y254 L308I252-V306 HydrophobicContact CD1-CB 4.42Å; I252-V306 HydrophobicContact CG1-CB 3.89Å; I252-V306 PolarHBondContact N-O 2.99Å; I252-V306 PolarHBondContact O-N 3.07Å; Y254-V306 HydrophobicContact CE1-CG2 3.77Å; V306-L308 HydrophobicContact CG1-CD2 3.47Å; V306-L308 VanDerWaalsContact CG1-CD2 3.47Å; V306-L308 HydrophobicContact CG1-CG 3.88Å
307Q89.3Confident80.4Confident171 Ų17165.8 Ų65.880%0.79935%0.352SS*.EExtended strand (participates in β ladder)trans-87.4131.3169.5-64.9-172-18.200109
308L87.1Confident82.9Confident24 Ų2458.4 Ų58.413%0.12632%0.316CS..EExtended strand (participates in β ladder)trans-129.3141.4-169.7-63.7172.2000111.1Q249 A250 I252 V306 T310 I335Q249-L308 CarbonylContact C-O 3.35Å; Q249-L308 VanDerWaalsContact CA-O 3.28Å; Q249-L308 WeakPolarHBondContact CA-O 3.15Å; A250-L308 PolarHBondContact N-O 3.48Å; A250-L308 PolarHBondContact O-N 3.23Å; I252-L308 HydrophobicContact CB-CD1 4.48Å; I252-L308 HydrophobicContact CD1-CD1 3.56Å; I252-L308 HydrophobicContact CG1-CD1 3.64Å; I252-L308 HydrophobicContact CG1-CG 4.41Å; I252-L308 HydrophobicContact CG2-CD1 4.1Å; V306-L308 HydrophobicContact CG1-CD2 3.47Å; V306-L308 VanDerWaalsContact CG1-CD2 3.47Å; V306-L308 HydrophobicContact CG1-CG 3.88Å; L308-T310 HydrophobicContact CB-CG2 4.16Å; L308-I335 HydrophobicContact CD1-CD1 3.44Å; L308-I335 VanDerWaalsContact CD1-CD1 3.44Å; L308-I335 HydrophobicContact CD1-CG1 3.87Å; L308-I335 HydrophobicContact CD1-CG2 4.24Å; L308-I335 HydrophobicContact CD2-CD1 3.8Å; L308-I335 HydrophobicContact CD2-CG2 3.86Å; L308-I335 HydrophobicContact CG-CD1 4.28Å
309S89.4Confident84.9Confident41 Ų4153.1 Ų53.129%0.28728%0.284SS..EExtended strand (participates in β ladder)trans-122.6112165.7170.30000106.7D338S309-D338 PolarHBondContact OG-OD2 3.03Å; S309-D338 VanDerWaalsContact OG-OD2 3.07Å
310T90.5Very high86.2Confident4 Ų450.4 Ų50.43%0.02526%0.262CS..EExtended strand (participates in β ladder)trans-138.7160.1-172.166.90000112.5T247 H248 L308 I335 E336T247-T310 WeakPolarHBondContact CA-O 3.35Å; H248-T310 PolarHBondContact N-O 2.84Å; H248-T310 PolarHBondContact O-N 2.7Å; L308-T310 HydrophobicContact CB-CG2 4.16Å; T310-I335 HydrophobicContact CG2-CB 4.42Å; T310-I335 HydrophobicContact CG2-CG2 3.27Å; T310-E336 WeakPolarHBondContact CA-O 3.47Å; T310-E336 WeakPolarHBondContact CB-O 3.4Å; T310-E336 WeakPolarHBondContact CG2-O 3.1Å
311V91.1Very high87.1Confident4 Ų452.3 Ų52.32%0.02426%0.261CS..SBendtrans-80.3-37.6169.7171.50000111.1G212 S213 F214 I340 F345G212-V311 CarbonylContact C-O 3.38Å; G212-V311 WeakPolarHBondContact CA-O 3.39Å; S213-V311 PolarHBondContact N-O 3.48Å; F214-V311 HydrophobicContact CD2-CG1 4.37Å; F214-V311 HydrophobicContact CE2-CG1 4.2Å; V311-I340 HydrophobicContact CG2-CG2 3.89Å; V311-F345 HydrophobicContact CG1-CD2 4.08Å; V311-F345 HydrophobicContact CG1-CE2 3.81Å
312E92.5Very high87.4Confident0 Ų048.8 Ų48.80%025%0.246CC..EExtended strand (participates in β ladder)trans-149140.3174.8-176.8-177-148.500110.6R210 W211 F214 E336 K352R210-E312 IonicContact CZ-OE1 2.95Å; R210-E312 IonicContact NE-OE1 3.36Å; R210-E312 PolarHBondContact NE-OE1 3.43Å; R210-E312 IonicContact NH2-OE1 2.68Å; R210-E312 PolarHBondContact NH2-OE1 3.24Å; R210-E312 IonicContact NH2-OE2 3.42Å; W211-E312 CarbonylContact O-C 3.57Å; W211-E312 VanDerWaalsContact O-CA 3.29Å; W211-E312 WeakPolarHBondContact O-CA 3.28Å; W211-E312 WeakPolarHBondContact O-CG 3.44Å; F214-E312 WeakPolarHBondContact CB-OE2 3.35Å; F214-E312 HydrophobicContact CD2-CB 3.85Å; F214-E312 WeakPolarHBondContact CD2-OE2 3.49Å; E312-E336 HydrophobicContact CB-CB 4.37Å; E312-E336 HydrophobicContact CB-CG 4.15Å; E312-E336 VanDerWaalsContact O-CB 3.28Å; E312-E336 WeakPolarHBondContact O-CB 3.46Å; E312-E336 PolarHBondContact O-N 3.26Å; E312-K352 WeakPolarHBondContact OE2-CE 3.24Å; E312-K352 IonicContact OE2-NZ 3.65Å; E312-K352 PolarHBondContact OE2-NZ 3.3Å
313L93.6Very high86.8Confident2 Ų246.2 Ų46.21%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-109.7136166.8178.967.6000108.9R210 W211 I252 I333 I335 L373R210-L313 WeakPolarHBondContact CA-O 3.29Å; W211-L313 HydrophobicContact CE3-CB 4.27Å; W211-L313 HydrophobicContact CE3-CD2 4.42Å; W211-L313 PolarHBondContact N-O 3.46Å; W211-L313 PolarHBondContact O-N 3.07Å; I252-L313 HydrophobicContact CG2-CD2 4.4Å; L313-I333 HydrophobicContact CD1-CG2 3.83Å; L313-I335 HydrophobicContact CD1-CG1 3.79Å; L313-L373 HydrophobicContact CD2-CD1 3.52Å; L313-L373 HydrophobicContact CD2-CD2 4.02Å; L313-L373 HydrophobicContact CD2-CG 4.42Å
314S93.5Very high85.8Confident7 Ų744.7 Ų44.75%0.04923%0.229CC..EExtended strand (participates in β ladder)trans-133.5131.717256.60000111.4L209 I333 C334L209-S314 CarbonylContact O-C 3.53Å; L209-S314 WeakPolarHBondContact O-CA 3.34Å; S314-I333 CarbonylContact O-C 3.56Å; S314-I333 WeakPolarHBondContact O-CA 3.25Å; S314-C334 PolarHBondContact N-O 3.28Å; S314-C334 PolarHBondContact O-N 2.94Å; S314-C334 WeakPolarHBondContact OG-CB 3.5Å; S314-C334 PolarHBondContact OG-O 2.86Å
315I94.9Very high84.7Confident1 Ų142.9 Ų42.91%0.00523%0.229CC..EExtended strand (participates in β ladder)trans-116.8114.1176.8-57.2174.2000106.2G208 L209 L331 N332 I333 V397G208-I315 CarbonylContact C-O 3.56Å; G208-I315 WeakPolarHBondContact CA-O 3.28Å; L209-I315 HydrophobicContact CD2-CD1 4.49Å; L209-I315 PolarHBondContact N-O 3.48Å; L209-I315 PolarHBondContact O-N 3.2Å; I315-L331 HydrophobicContact CG2-CD1 3.85Å; I315-L331 HydrophobicContact CG2-CD2 4.13Å; I315-N332 CarbonylContact C-O 3.48Å; I315-N332 WeakPolarHBondContact CA-O 3.26Å; I315-I333 HydrophobicContact CG1-CG1 4.29Å; I315-I333 HydrophobicContact CG1-CG2 4.35Å; I315-I333 HydrophobicContact CG2-CG1 4.33Å; I315-V397 HydrophobicContact CD1-CG2 4.23Å; I315-V397 HydrophobicContact CG2-CG1 4.14Å
316T93.5Very high84Confident31 Ų3138 Ų3819%0.1920%0.204CC..EExtended strand (participates in β ladder)trans-132.6151.5-16958.30000112.8T207 N332T207-T316 CarbonylContact O-C 3.57Å; T207-T316 VanDerWaalsContact O-CA 3.28Å; T207-T316 WeakPolarHBondContact O-CA 3.33Å; T316-N332 PolarHBondContact N-O 3.29Å; T316-N332 PolarHBondContact O-N 3.44Å
317T92.4Very high83.6Confident3 Ų342.5 Ų42.52%0.01822%0.22CC..  trans-79.516417160.60000111.6L193 M206 T207 N319 L399L193-T317 HydrophobicContact CD1-CG2 3.59Å; L193-T317 HydrophobicContact CD2-CG2 4.04Å; L193-T317 HydrophobicContact CG-CG2 3.43Å; L193-T317 VanDerWaalsContact CG-CG2 3.43Å; M206-T317 WeakPolarHBondContact O-CG2 3.26Å; M206-T317 PolarHBondContact O-OG1 3.23Å; T207-T317 PolarHBondContact O-N 3.35Å; T207-T317 PolarHBondContact O-OG1 3.22Å; T317-N319 PolarHBondContact O-N 3.16Å; T317-N319 WeakPolarHBondContact OG1-CB 3.37Å; T317-N319 PolarHBondContact OG1-N 3.19Å; T317-N319 PolarHBondContact OG1-ND2 2.97Å; T317-L399 HydrophobicContact CG2-CD1 4.27Å
318R87.9Confident83.3Confident38 Ų3837.6 Ų37.614%0.14320%0.197CC..G310 helixtrans-825.2169.7-63.6175.264.5-174.21.2113.1N320 Q321 L322 D323 S326 E328 F330R318-N320 PolarHBondContact O-N 3.01Å; R318-Q321 CarbonylContact O-C 3.47Å; R318-Q321 PolarHBondContact O-N 3.49Å; R318-Q321 VanDerWaalsContact O-O 3.09Å; R318-L322 PolarHBondContact O-N 2.6Å; R318-D323 IonicContact NH2-OD2 3.84Å; R318-S326 PolarHBondContact NH1-OG 2.88Å; R318-S326 PolarHBondContact NH2-OG 3.07Å; R318-S326 VanDerWaalsContact NH2-OG 3.15Å; R318-E328 PolarHBondContact NH1-O 3.23Å; R318-F330 WeakPolarHBondContact CD-O 3.46Å; R318-F330 HydrophobicContact CG-CE2 4.36Å
319N84.1Confident83.4Confident0 Ų036.9 Ų36.90%019%0.194CC..G310 helixtrans-58-20-179.5-68.2-22.4000113L160 T163 D191 M206 T317 Q321L160-N319 HydrophobicContact CD2-CB 4.03Å; T163-N319 WeakPolarHBondContact CB-O 3.34Å; T163-N319 WeakPolarHBondContact CG2-O 3.04Å; T163-N319 PolarHBondContact OG1-O 3.47Å; D191-N319 PolarHBondContact N-OD1 3Å; D191-N319 VanDerWaalsContact N-OD1 3.12Å; D191-N319 PolarHBondContact O-ND2 3.37Å; M206-N319 PolarHBondContact O-ND2 2.9Å; T317-N319 PolarHBondContact O-N 3.16Å; T317-N319 WeakPolarHBondContact OG1-CB 3.37Å; T317-N319 PolarHBondContact OG1-N 3.19Å; T317-N319 PolarHBondContact OG1-ND2 2.97Å; N319-Q321 VanDerWaalsContact C-N 3.33Å
320N72.4Confident83.4Confident34 Ų3435.7 Ų35.718%0.18218%0.183CC..G310 helixtrans-71.9-25.5173.8-68.9-53000114.1T163 R318T163-N320 WeakPolarHBondContact OG1-CA 3.47Å; R318-N320 PolarHBondContact O-N 3.01Å
321Q73.2Confident83.5Confident154 Ų15435.5 Ų35.572%0.7218%0.182SC*.SBendtrans-145.178.8-179.5-170.76831.300108R318 N319 D323R318-Q321 CarbonylContact O-C 3.47Å; R318-Q321 PolarHBondContact O-N 3.49Å; R318-Q321 VanDerWaalsContact O-O 3.09Å; N319-Q321 VanDerWaalsContact C-N 3.33Å; Q321-D323 PolarHBondContact O-N 3.29Å
322L72.1Confident83.7Confident31 Ų3137.4 Ų37.416%0.16219%0.192CC..  trans-66.5122177.7-65.6168.4000109T163 V188 L190 R318 M416T163-L322 HydrophobicContact CG2-CD1 3.88Å; T163-L322 HydrophobicContact CG2-CG 4.25Å; V188-L322 HydrophobicContact CG1-CD1 3.79Å; L190-L322 HydrophobicContact CD2-CD1 3.55Å; L190-L322 HydrophobicContact CD2-CD2 3.95Å; L190-L322 HydrophobicContact CD2-CG 4.27Å; R318-L322 PolarHBondContact O-N 2.6Å; L322-M416 HydrophobicContact CD1-CE 3.91Å; L322-M416 HydrophobicContact CD1-SD 3.87Å
323D68.9Low83.8Confident51 Ų5137.5 Ų37.527%0.27319%0.192SC..  trans-111.1100.9170.9171.810.1000107.7R318 Q321 T325 S326R318-D323 IonicContact NH2-OD2 3.84Å; Q321-D323 PolarHBondContact O-N 3.29Å; D323-T325 PolarHBondContact O-N 3.48Å; D323-T325 WeakPolarHBondContact OD1-CA 3.49Å; D323-T325 PolarHBondContact OD1-N 3.31Å; D323-T325 PolarHBondContact OD1-OG1 3.15Å; D323-S326 WeakPolarHBondContact O-CB 3.5Å; D323-S326 PolarHBondContact O-N 3.27Å; D323-S326 PolarHBondContact OD1-N 3Å; D323-S326 WeakPolarHBondContact OD2-CB 3.11Å
324P66.7Low83.8Confident55 Ų5537.5 Ų37.536%0.35719%0.193SC..THydrogen-bonded Turntrans-69-19.9-179.225-28.2000112.4R260 M416R260-P324 PolarHBondContact NH1-O 2.9Å; P324-M416 WeakPolarHBondContact CG-O 3.38Å
325T66.4Low83.8Confident84 Ų8437.7 Ų37.752%0.51519%0.193SC..THydrogen-bonded Turntrans-86.3-10.5-178.668.20000113.6D323 K327D323-T325 PolarHBondContact O-N 3.48Å; D323-T325 WeakPolarHBondContact OD1-CA 3.49Å; D323-T325 PolarHBondContact OD1-N 3.31Å; D323-T325 PolarHBondContact OD1-OG1 3.15Å; T325-K327 PolarHBondContact O-N 2.86Å
326S74.9Confident83.7Confident19 Ų1937.7 Ų37.713%0.13319%0.193CC..  trans-57.8131.3-177.8-148.10000111.9R260 R318 D323 E328R260-S326 PolarHBondContact NE-O 3.38Å; R260-S326 PolarHBondContact NH1-O 3.39Å; R260-S326 PolarHBondContact NH2-O 2.99Å; R318-S326 PolarHBondContact NH1-OG 2.88Å; R318-S326 PolarHBondContact NH2-OG 3.07Å; R318-S326 VanDerWaalsContact NH2-OG 3.15Å; D323-S326 WeakPolarHBondContact O-CB 3.5Å; D323-S326 PolarHBondContact O-N 3.27Å; D323-S326 PolarHBondContact OD1-N 3Å; D323-S326 WeakPolarHBondContact OD2-CB 3.11Å; S326-E328 VanDerWaalsContact C-N 3.27Å; S326-E328 PolarHBondContact O-N 3.38Å
327K80.3Confident83.6Confident138 Ų13837.4 Ų37.460%0.619%0.192SC*.SBendtrans-76.5-16.5177.9-166.2-171.6167.4-1440112.6E259 R260 T325E259-K327 IonicContact OE1-NZ 2.85Å; E259-K327 PolarHBondContact OE1-NZ 2.91Å; R260-K327 WeakPolarHBondContact CB-O 3.49Å; R260-K327 PolarHBondContact N-O 2.96Å; T325-K327 PolarHBondContact O-N 2.86Å
328E84.7Confident83.4Confident69 Ų6940.7 Ų40.732%0.32221%0.209SC..EExtended strand (participates in β ladder)trans-126.1143.2-170.6-66.6174.5-178.600111.5P257 T258 R318 S326 F330P257-E328 HydrophobicContact CB-CB 4.21Å; P257-E328 HydrophobicContact CB-CG 4.48Å; P257-E328 WeakPolarHBondContact CB-OE2 3.4Å; T258-E328 WeakPolarHBondContact O-CA 3.43Å; R318-E328 PolarHBondContact NH1-O 3.23Å; S326-E328 VanDerWaalsContact C-N 3.27Å; S326-E328 PolarHBondContact O-N 3.38Å; E328-F330 HydrophobicContact CB-CD1 4.09Å; E328-F330 HydrophobicContact CB-CE1 4.49Å
329D87.4Confident83.5Confident9 Ų944.6 Ų44.65%0.04824%0.238CC..EExtended strand (participates in β ladder)trans-105119.5172.8-62.6-23.6000108.3T258 R260 L399 P401 R402T258-D329 PolarHBondContact N-O 3.13Å; T258-D329 PolarHBondContact O-N 3.35Å; R260-D329 IonicContact CZ-OD1 3Å; R260-D329 IonicContact NE-OD1 3.77Å; R260-D329 PolarHBondContact NE-OD1 2.79Å; R260-D329 IonicContact NE-OD2 3.44Å; R260-D329 IonicContact NH2-OD1 3.58Å; R260-D329 PolarHBondContact NH2-OD1 3.17Å; D329-L399 HydrophobicContact CB-CD2 4.45Å; D329-P401 HydrophobicContact CB-CB 4.04Å; D329-P401 WeakPolarHBondContact OD2-CB 3.38Å; D329-R402 IonicContact OD2-CZ 2.99Å; D329-R402 IonicContact OD2-NE 3.53Å; D329-R402 IonicContact OD2-NH2 3.05Å; D329-R402 PolarHBondContact OD2-NH2 2.94Å
330F91Very high83.8Confident15 Ų1545.5 Ų45.57%0.06624%0.242CC..  trans-151.6152.1-177.662.1-94.8000111.8P257 R318 E328 N332 Q367 A368P257-F330 HydrophobicContact CB-CB 3.98Å; P257-F330 HydrophobicContact CB-CD1 4.28Å; P257-F330 HydrophobicContact CB-CG 4.45Å; P257-F330 HydrophobicContact CG-CB 4.18Å; P257-F330 HydrophobicContact CG-CG 4.47Å; R318-F330 WeakPolarHBondContact CD-O 3.46Å; R318-F330 HydrophobicContact CG-CE2 4.36Å; E328-F330 HydrophobicContact CB-CD1 4.09Å; E328-F330 HydrophobicContact CB-CE1 4.49Å; F330-N332 WeakPolarHBondContact CE2-OD1 3.23Å; F330-Q367 HydrophobicContact CB-CB 4.47Å; F330-Q367 HydrophobicContact CD2-CB 3.68Å; F330-Q367 HydrophobicContact CD2-CG 3.64Å; F330-Q367 HydrophobicContact CE2-CB 4.08Å; F330-Q367 HydrophobicContact CE2-CG 3.51Å; F330-Q367 HydrophobicContact CG-CB 4.11Å; F330-Q367 HydrophobicContact CG-CG 4.43Å; F330-Q367 HydrophobicContact CZ-CG 4.2Å; F330-A368 CarbonylContact C-O 3.57Å; F330-A368 VanDerWaalsContact CA-O 3.31Å; F330-A368 WeakPolarHBondContact CA-O 3.48Å; F330-A368 WeakPolarHBondContact CB-O 3.27Å
331L92.9Very high84.7Confident0 Ų046.4 Ų46.40%025%0.251CS..EExtended strand (participates in β ladder)trans-92.1154.9167.566.772.6000110.3L193 I315 I333 A368 V397 L399L193-L331 HydrophobicContact CD2-CB 4.01Å; L193-L331 HydrophobicContact CD2-CD2 3.67Å; L193-L331 HydrophobicContact CD2-CG 4.49Å; I315-L331 HydrophobicContact CG2-CD1 3.85Å; I315-L331 HydrophobicContact CG2-CD2 4.13Å; L331-I333 HydrophobicContact CD1-CD1 3.78Å; L331-I333 HydrophobicContact CD1-CG1 3.34Å; L331-A368 HydrophobicContact CD1-CB 3.98Å; L331-A368 VanDerWaalsContact CG-O 3.31Å; L331-A368 WeakPolarHBondContact CG-O 3.38Å; L331-A368 PolarHBondContact N-O 3.17Å; L331-A368 PolarHBondContact O-N 2.97Å; L331-V397 HydrophobicContact CD2-CG1 4.08Å; L331-L399 HydrophobicContact CB-CD1 4.38Å; L331-L399 HydrophobicContact CD2-CB 4.47Å
332N93.7Very high85.7Confident45 Ų4544 Ų4424%0.24124%0.238CC..EExtended strand (participates in β ladder)trans-102.4126.7176.6-76.7-27.4000109.9I315 T316 F330I315-N332 CarbonylContact C-O 3.48Å; I315-N332 WeakPolarHBondContact CA-O 3.26Å; T316-N332 PolarHBondContact N-O 3.29Å; T316-N332 PolarHBondContact O-N 3.44Å; F330-N332 WeakPolarHBondContact CE2-OD1 3.23Å
333I94.4Very high86.6Confident1 Ų144.5 Ų44.51%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-108.5114.8171.8-55.4177.5000106.7I252 L313 S314 I315 L331 I335 C365 L366 A368 C371I252-I333 HydrophobicContact CD1-CG2 4.3Å; L313-I333 HydrophobicContact CD1-CG2 3.83Å; S314-I333 CarbonylContact O-C 3.56Å; S314-I333 WeakPolarHBondContact O-CA 3.25Å; I315-I333 HydrophobicContact CG1-CG1 4.29Å; I315-I333 HydrophobicContact CG1-CG2 4.35Å; I315-I333 HydrophobicContact CG2-CG1 4.33Å; L331-I333 HydrophobicContact CD1-CD1 3.78Å; L331-I333 HydrophobicContact CD1-CG1 3.34Å; I333-I335 HydrophobicContact CG2-CD1 4.48Å; I333-I335 HydrophobicContact CG2-CG1 4.19Å; I333-C365 CarbonylContact O-C 3.06Å; I333-C365 WeakPolarHBondContact O-CA 3.34Å; I333-L366 HydrophobicContact CB-CD1 3.52Å; I333-L366 HydrophobicContact CB-CG 3.85Å; I333-L366 HydrophobicContact CD1-CD1 3.56Å; I333-L366 HydrophobicContact CG1-CD1 3.88Å; I333-L366 HydrophobicContact CG2-CD1 4.06Å; I333-L366 HydrophobicContact CG2-CG 4.25Å; I333-L366 PolarHBondContact N-O 2.9Å; I333-L366 PolarHBondContact O-N 3.04Å; I333-A368 HydrophobicContact CD1-CB 3.9Å; I333-C371 HydrophobicContact CD1-CB 3.76Å
334C93.5Very high87.7Confident3 Ų346 Ų462%0.0226%0.259CS..EExtended strand (participates in β ladder)trans-110.1122.9178.4-51.10000109.3S314 H359 T363 E364 C365S314-C334 PolarHBondContact N-O 3.28Å; S314-C334 PolarHBondContact O-N 2.94Å; S314-C334 WeakPolarHBondContact OG-CB 3.5Å; S314-C334 PolarHBondContact OG-O 2.86Å; C334-H359 VanDerWaalsContact SG-CE1 3.52Å; C334-T363 HydrophobicContact CB-CG2 4.06Å; C334-E364 WeakPolarHBondContact CA-O 3.36Å; C334-C365 PolarHBondContact SG-SG 3.43Å
335I93.7Very high88.9Confident11 Ų1143.4 Ų43.46%0.05624%0.242CC..EExtended strand (participates in β ladder)trans-112.1108.1-173.5-64167.8000106.6I252 L308 T310 L313 I333 T363 E364 L366I252-I335 HydrophobicContact CD1-CD1 4.06Å; L308-I335 HydrophobicContact CD1-CD1 3.44Å; L308-I335 VanDerWaalsContact CD1-CD1 3.44Å; L308-I335 HydrophobicContact CD1-CG1 3.87Å; L308-I335 HydrophobicContact CD1-CG2 4.24Å; L308-I335 HydrophobicContact CD2-CD1 3.8Å; L308-I335 HydrophobicContact CD2-CG2 3.86Å; L308-I335 HydrophobicContact CG-CD1 4.28Å; T310-I335 HydrophobicContact CG2-CB 4.42Å; T310-I335 HydrophobicContact CG2-CG2 3.27Å; L313-I335 HydrophobicContact CD1-CG1 3.79Å; I333-I335 HydrophobicContact CG2-CD1 4.48Å; I333-I335 HydrophobicContact CG2-CG1 4.19Å; I335-T363 WeakPolarHBondContact O-CG2 3.48Å; I335-E364 HydrophobicContact CB-CB 4.44Å; I335-E364 PolarHBondContact N-O 3.04Å; I335-E364 PolarHBondContact O-N 3.37Å; I335-L366 HydrophobicContact CD1-CD2 3.5Å; I335-L366 VanDerWaalsContact CD1-CD2 3.5Å; I335-L366 HydrophobicContact CD1-CG 4.43Å
336E93.7Very high90.2Very high1 Ų140.8 Ų40.81%0.00522%0.224CC..  trans-80.2138.4-179.6-65-78-178.400110.7T310 E312 K352 H359 A360 T363T310-E336 WeakPolarHBondContact CA-O 3.47Å; T310-E336 WeakPolarHBondContact CB-O 3.4Å; T310-E336 WeakPolarHBondContact CG2-O 3.1Å; E312-E336 HydrophobicContact CB-CB 4.37Å; E312-E336 HydrophobicContact CB-CG 4.15Å; E312-E336 VanDerWaalsContact O-CB 3.28Å; E312-E336 WeakPolarHBondContact O-CB 3.46Å; E312-E336 PolarHBondContact O-N 3.26Å; E336-K352 IonicContact OE1-NZ 2.63Å; E336-K352 PolarHBondContact OE1-NZ 2.95Å; E336-H359 WeakPolarHBondContact OE1-CA 3.33Å; E336-H359 IonicContact OE1-ND1 2.72Å; E336-A360 PolarHBondContact OE1-N 3.23Å; E336-A360 WeakPolarHBondContact OE2-CA 3.5Å; E336-A360 WeakPolarHBondContact OE2-CB 3.38Å; E336-A360 PolarHBondContact OE2-N 3.31Å; E336-T363 VanDerWaalsContact CD-OG1 3.24Å; E336-T363 PolarHBondContact OE2-OG1 2.97Å
337P91.2Very high91.1Very high25 Ų2542.5 Ų42.516%0.16223%0.234CC..  trans-68.9155-176.729.1-35.2000112.2
338D89.1Confident91.7Very high71 Ų7137.5 Ų37.538%0.3821%0.213SC..SBendtrans-87.6-6.7174.260.12.7000114.6T247 S309T247-D338 HydrophobicContact CG2-CB 3.44Å; T247-D338 VanDerWaalsContact CG2-CB 3.44Å; S309-D338 PolarHBondContact OG-OD2 3.03Å; S309-D338 VanDerWaalsContact OG-OD2 3.07Å
339T89.4Confident92Very high121 Ų12134.2 Ų34.274%0.74220%0.198SC*.  trans-85.8-1.5-178.158.30000114.6
340I90Very high92.2Very high18 Ų1834.6 Ų34.69%0.09220%0.201CC..  trans-57.8139.3-178.4-172.3172000111.6F214 W244 V311 D344 F345 I348 A360F214-I340 HydrophobicContact CZ-CD1 4.01Å; W244-I340 HydrophobicContact CH2-CG2 4.15Å; W244-I340 WeakPolarHBondContact CH2-O 3.48Å; W244-I340 WeakPolarHBondContact CZ2-O 3.38Å; V311-I340 HydrophobicContact CG2-CG2 3.89Å; I340-D344 HydrophobicContact CD1-CB 4.34Å; I340-D344 HydrophobicContact CG1-CB 3.91Å; I340-F345 HydrophobicContact CD1-CB 4.24Å; I340-F345 HydrophobicContact CG1-CB 4.5Å; I340-I348 HydrophobicContact CD1-CD1 4.05Å; I340-A360 HydrophobicContact CD1-CB 4.06Å
341S92.5Very high92.3Very high53 Ų5341 Ų4137%0.37123%0.225SC..  trans-76.6159176.989.50000112.4G343 D344 F345S341-G343 VanDerWaalsContact C-N 3.28Å; S341-G343 PolarHBondContact O-N 3.43Å; S341-G343 PolarHBondContact OG-N 3.33Å; S341-D344 WeakPolarHBondContact CB-OD2 3.41Å; S341-D344 PolarHBondContact O-N 2.73Å; S341-D344 PolarHBondContact OG-N 3.06Å; S341-D344 VanDerWaalsContact OG-N 3.15Å; S341-D344 PolarHBondContact OG-OD2 3.27Å; S341-F345 WeakPolarHBondContact O-CB 3.22Å; S341-F345 PolarHBondContact O-N 3.45Å
342K92.6Very high92.2Very high105 Ų10541.1 Ų41.146%0.45723%0.226SC..Hα-helixtrans-57.4-40.8175.3-65.5-178176.2-178.30112.6T240 W244 I346T240-K342 HydrophobicContact CG2-CB 3.89Å; T240-K342 HydrophobicContact CG2-CD 3.6Å; T240-K342 HydrophobicContact CG2-CG 3.53Å; W244-K342 HydrophobicContact CD2-CD 4.36Å; W244-K342 HydrophobicContact CD2-CG 3.67Å; W244-K342 VanDerWaalsContact CE2-CG 3.45Å; W244-K342 HydrophobicContact CE3-CG 4.18Å; W244-K342 HydrophobicContact CG-CD 4.26Å; W244-K342 HydrophobicContact CG-CG 4.07Å; W244-K342 HydrophobicContact CH2-CG 4.2Å; W244-K342 HydrophobicContact CZ2-CB 4.44Å; W244-K342 HydrophobicContact CZ2-CG 3.7Å; W244-K342 HydrophobicContact CZ3-CG 4.43Å; K342-I346 WeakPolarHBondContact O-CD1 3.47Å; K342-I346 WeakPolarHBondContact O-CG1 2.97Å; K342-I346 PolarHBondContact O-N 3.39Å
343G91.9Very high91.9Very high40 Ų4041.5 Ų41.541%0.41223%0.229SC..Hα-helixtrans-68.2-41-179.200000112S341 I346 T347S341-G343 VanDerWaalsContact C-N 3.28Å; S341-G343 PolarHBondContact O-N 3.43Å; S341-G343 PolarHBondContact OG-N 3.33Å; G343-I346 PolarHBondContact O-N 3.17Å; G343-T347 WeakPolarHBondContact O-CB 3.2Å; G343-T347 PolarHBondContact O-N 3.38Å; G343-T347 PolarHBondContact O-OG1 2.84Å
344D91.8Very high91.4Very high83 Ų8350.5 Ų50.544%0.44426%0.263SS..Hα-helixtrans-70.8-40.2178-59.6-39.7000110.9I340 S341 I346 T347 I348I340-D344 HydrophobicContact CD1-CB 4.34Å; I340-D344 HydrophobicContact CG1-CB 3.91Å; S341-D344 WeakPolarHBondContact CB-OD2 3.41Å; S341-D344 PolarHBondContact O-N 2.73Å; S341-D344 PolarHBondContact OG-N 3.06Å; S341-D344 VanDerWaalsContact OG-N 3.15Å; S341-D344 PolarHBondContact OG-OD2 3.27Å; D344-I346 VanDerWaalsContact C-N 3.34Å; D344-I346 PolarHBondContact O-N 3.34Å; D344-T347 PolarHBondContact O-N 3.4Å; D344-I348 HydrophobicContact CB-CD1 4.17Å; D344-I348 VanDerWaalsContact O-CB 3.23Å; D344-I348 WeakPolarHBondContact O-CB 3.41Å; D344-I348 VanDerWaalsContact O-CG1 3.3Å; D344-I348 WeakPolarHBondContact O-CG1 3.46Å; D344-I348 PolarHBondContact O-N 2.93Å
345F93Very high91.1Very high1 Ų153.5 Ų53.50%0.00428%0.279CS..Hα-helixtrans-54.3-47.4173.2177.5-96000112.1F214 H236 W244 V311 I340 S341 G349F214-F345 AromaticContact CD1-CD2 3.94Å; F214-F345 HydrophobicContact CD1-CD2 3.94Å; F214-F345 AromaticContact CD1-CE2 3.51Å; F214-F345 HydrophobicContact CD1-CE2 3.51Å; F214-F345 HydrophobicContact CD1-CZ 4.03Å; F214-F345 AromaticContact CE1-CD2 3.25Å; F214-F345 HydrophobicContact CE1-CD2 3.25Å; F214-F345 AromaticContact CE1-CE2 3.35Å; F214-F345 HydrophobicContact CE1-CE2 3.35Å; F214-F345 AromaticContact CE1-CG 3.97Å; F214-F345 HydrophobicContact CE1-CG 3.97Å; F214-F345 HydrophobicContact CE1-CZ 4.14Å; F214-F345 WeakPolarHBondContact CE1-O 3.45Å; F214-F345 HydrophobicContact CE2-CD2 4.41Å; F214-F345 HydrophobicContact CE2-CE2 4.46Å; F214-F345 HydrophobicContact CG-CE2 4.13Å; F214-F345 AromaticContact CZ-CD2 3.56Å; F214-F345 HydrophobicContact CZ-CD2 3.56Å; F214-F345 AromaticContact CZ-CE2 3.89Å; F214-F345 HydrophobicContact CZ-CE2 3.89Å; F214-F345 HydrophobicContact CZ-CG 4.46Å; H236-F345 HydrophobicContact CB-CD1 4.33Å; H236-F345 HydrophobicContact CB-CE1 3.99Å; H236-F345 AromaticContact CD2-CE1 3.96Å; W244-F345 HydrophobicContact CH2-CB 3.96Å; W244-F345 HydrophobicContact CH2-CG 4.34Å; W244-F345 HydrophobicContact CZ3-CB 4.05Å; W244-F345 HydrophobicContact CZ3-CD1 4.33Å; W244-F345 HydrophobicContact CZ3-CD2 4.28Å; W244-F345 AromaticContact CZ3-CG 3.97Å; W244-F345 HydrophobicContact CZ3-CG 3.97Å; V311-F345 HydrophobicContact CG1-CD2 4.08Å; V311-F345 HydrophobicContact CG1-CE2 3.81Å; I340-F345 HydrophobicContact CD1-CB 4.24Å; I340-F345 HydrophobicContact CG1-CB 4.5Å; S341-F345 WeakPolarHBondContact O-CB 3.22Å; S341-F345 PolarHBondContact O-N 3.45Å; F345-G349 WeakPolarHBondContact O-CA 3.28Å; F345-G349 PolarHBondContact O-N 3.25Å
346I93.4Very high90.6Very high29 Ų2955.9 Ų55.915%0.14930%0.295CS..Hα-helixtrans-67.7-42.5179-63.3160.9000110.9K233 H236 F237 K342 G343 D344 S350K233-I346 HydrophobicContact CB-CG2 4.23Å; K233-I346 HydrophobicContact CG-CG2 4.49Å; H236-I346 HydrophobicContact CB-CB 4.38Å; H236-I346 HydrophobicContact CB-CG1 4.1Å; H236-I346 HydrophobicContact CB-CG2 4.38Å; F237-I346 HydrophobicContact CB-CD1 4.08Å; F237-I346 HydrophobicContact CD2-CD1 3.7Å; F237-I346 HydrophobicContact CG-CD1 4.39Å; K342-I346 WeakPolarHBondContact O-CD1 3.47Å; K342-I346 WeakPolarHBondContact O-CG1 2.97Å; K342-I346 PolarHBondContact O-N 3.39Å; G343-I346 PolarHBondContact O-N 3.17Å; D344-I346 VanDerWaalsContact C-N 3.34Å; D344-I346 PolarHBondContact O-N 3.34Å; I346-S350 VanDerWaalsContact O-CB 3.25Å; I346-S350 WeakPolarHBondContact O-CB 3.2Å; I346-S350 PolarHBondContact O-N 2.89Å; I346-S350 PolarHBondContact O-OG 3.13Å
347T93Very high89.9Confident55 Ų5560.4 Ų60.434%0.33732%0.315SS..Hα-helixtrans-67.5-52.1-176.6-60.10000111G343 D344 S350 R351G343-T347 WeakPolarHBondContact O-CB 3.2Å; G343-T347 PolarHBondContact O-N 3.38Å; G343-T347 PolarHBondContact O-OG1 2.84Å; D344-T347 PolarHBondContact O-N 3.4Å; T347-S350 PolarHBondContact O-N 3.5Å; T347-S350 PolarHBondContact O-OG 3.4Å; T347-R351 WeakPolarHBondContact O-CG 3.26Å; T347-R351 PolarHBondContact O-N 3.45Å
348I92.8Very high89.6Confident33 Ų3362.3 Ų62.317%0.16932%0.324CS..Hα-helixtrans-65.1-49.3178.4-64.9169.9000109.6F214 I340 D344 S350 R351 K352 A360F214-I348 HydrophobicContact CZ-CG2 4.35Å; I340-I348 HydrophobicContact CD1-CD1 4.05Å; D344-I348 HydrophobicContact CB-CD1 4.17Å; D344-I348 VanDerWaalsContact O-CB 3.23Å; D344-I348 WeakPolarHBondContact O-CB 3.41Å; D344-I348 VanDerWaalsContact O-CG1 3.3Å; D344-I348 WeakPolarHBondContact O-CG1 3.46Å; D344-I348 PolarHBondContact O-N 2.93Å; I348-S350 VanDerWaalsContact C-N 3.28Å; I348-S350 PolarHBondContact O-N 3.2Å; I348-R351 CarbonylContact O-C 3.49Å; I348-R351 WeakPolarHBondContact O-CA 3.25Å; I348-R351 WeakPolarHBondContact O-CB 3.23Å; I348-R351 PolarHBondContact O-N 2.75Å; I348-K352 WeakPolarHBondContact O-CB 3.35Å; I348-K352 PolarHBondContact O-N 3.03Å; I348-A360 HydrophobicContact CD1-CB 3.92Å
349G92.1Very high89.5Confident0 Ų063 Ų630%032%0.324CS..Hα-helixtrans-56.5-40.817900000113H236 F345 R351 K352 V353H236-G349 VanDerWaalsContact NE2-C 3.34Å; H236-G349 WeakPolarHBondContact NE2-CA 3.3Å; H236-G349 PolarHBondContact NE2-O 2.9Å; F345-G349 WeakPolarHBondContact O-CA 3.28Å; F345-G349 PolarHBondContact O-N 3.25Å; G349-R351 VanDerWaalsContact C-N 3.28Å; G349-R351 PolarHBondContact O-N 3.33Å; G349-K352 PolarHBondContact O-N 3.48Å; G349-V353 WeakPolarHBondContact O-CG2 3.38Å; G349-V353 PolarHBondContact O-N 3.03Å
350S91.1Very high89.3Confident16 Ų1657.6 Ų57.611%0.11229%0.292CS..Hα-helixtrans-64-30.8176.374.70000114.1I346 T347 I348I346-S350 VanDerWaalsContact O-CB 3.25Å; I346-S350 WeakPolarHBondContact O-CB 3.2Å; I346-S350 PolarHBondContact O-N 2.89Å; I346-S350 PolarHBondContact O-OG 3.13Å; T347-S350 PolarHBondContact O-N 3.5Å; T347-S350 PolarHBondContact O-OG 3.4Å; I348-S350 VanDerWaalsContact C-N 3.28Å; I348-S350 PolarHBondContact O-N 3.2Å
351R92.3Very high89.1Confident150 Ų15065.8 Ų65.857%0.56633%0.33SS*.Hα-helixtrans-80.4-39.9173.3-60.1177.9-162.1172.75.5110.8T347 I348 G349 V353 R354 N355 L358T347-R351 WeakPolarHBondContact O-CG 3.26Å; T347-R351 PolarHBondContact O-N 3.45Å; I348-R351 CarbonylContact O-C 3.49Å; I348-R351 WeakPolarHBondContact O-CA 3.25Å; I348-R351 WeakPolarHBondContact O-CB 3.23Å; I348-R351 PolarHBondContact O-N 2.75Å; G349-R351 VanDerWaalsContact C-N 3.28Å; G349-R351 PolarHBondContact O-N 3.33Å; R351-V353 VanDerWaalsContact C-N 3.3Å; R351-V353 PolarHBondContact O-N 3.19Å; R351-R354 PolarHBondContact O-N 2.97Å; R351-N355 PolarHBondContact O-N 3.4Å; R351-L358 HydrophobicContact CB-CD1 3.59Å
352K91Very high88.7Confident3 Ų366.1 Ų66.11%0.01334%0.341CS..Hα-helixtrans-63.5-31.8-178.2-159.5168.9-170.81770112.9F214 E312 E336 I348 G349 R354 N355 P356 L358F214-K352 HydrophobicContact CD2-CD 4.16Å; F214-K352 HydrophobicContact CG-CD 4.3Å; E312-K352 WeakPolarHBondContact OE2-CE 3.24Å; E312-K352 IonicContact OE2-NZ 3.65Å; E312-K352 PolarHBondContact OE2-NZ 3.3Å; E336-K352 IonicContact OE1-NZ 2.63Å; E336-K352 PolarHBondContact OE1-NZ 2.95Å; I348-K352 WeakPolarHBondContact O-CB 3.35Å; I348-K352 PolarHBondContact O-N 3.03Å; G349-K352 PolarHBondContact O-N 3.48Å; K352-R354 VanDerWaalsContact C-N 3.25Å; K352-R354 PolarHBondContact O-N 3.47Å; K352-N355 WeakPolarHBondContact CA-O 3.41Å; K352-N355 CarbonylContact O-C 3.55Å; K352-P356 VanDerWaalsContact O-CA 3.26Å; K352-P356 WeakPolarHBondContact O-CA 3.24Å; K352-P356 VanDerWaalsContact O-N 3.16Å; K352-L358 WeakPolarHBondContact CD-O 3.45Å; K352-L358 WeakPolarHBondContact CE-O 3.08Å
353V87.9Confident88.6Confident52 Ų5262.4 Ų62.432%0.31533%0.328SS..THydrogen-bonded Turntrans-62.1-31.6170.9168.90000112.6I232 G349 R351I232-V353 HydrophobicContact CG2-CB 4.32Å; I232-V353 HydrophobicContact CG2-CG1 4.45Å; G349-V353 WeakPolarHBondContact O-CG2 3.38Å; G349-V353 PolarHBondContact O-N 3.03Å; R351-V353 VanDerWaalsContact C-N 3.3Å; R351-V353 PolarHBondContact O-N 3.19Å
354R84.5Confident88.6Confident190 Ų19066.8 Ų66.872%0.71734%0.337SS*.THydrogen-bonded Turntrans-90.2-37.1177.9-63.7-174178.7-165.3-0.7112.5R351 K352R351-R354 PolarHBondContact O-N 2.97Å; K352-R354 VanDerWaalsContact C-N 3.25Å; K352-R354 PolarHBondContact O-N 3.47Å
355N85.8Confident88.6Confident66 Ų6666.4 Ų66.435%0.35334%0.341SS..  trans-130.493.7178.1-176.65.4000109.1R351 K352 K357 L358R351-N355 PolarHBondContact O-N 3.4Å; K352-N355 WeakPolarHBondContact CA-O 3.41Å; K352-N355 CarbonylContact O-C 3.55Å; N355-K357 PolarHBondContact O-N 3.28Å; N355-K357 VanDerWaalsContact OD1-CB 3.26Å; N355-K357 WeakPolarHBondContact OD1-CB 3.22Å; N355-K357 WeakPolarHBondContact OD1-CG 3.35Å; N355-K357 PolarHBondContact OD1-N 2.79Å; N355-L358 HydrophobicContact CB-CD1 3.98Å; N355-L358 HydrophobicContact CB-CG 4.23Å; N355-L358 PolarHBondContact O-N 2.98Å
356P82.8Confident88.5Confident62 Ų6267.7 Ų67.740%0.40335%0.347SS..THydrogen-bonded Turntrans-66.9-9.1-176.627.7-35.1000113.6K352 L358K352-P356 VanDerWaalsContact O-CA 3.26Å; K352-P356 WeakPolarHBondContact O-CA 3.24Å; K352-P356 VanDerWaalsContact O-N 3.16Å; P356-L358 PolarHBondContact O-N 3Å
357K79.8Confident88.5Confident95 Ų9570.8 Ų70.841%0.41336%0.361SS..THydrogen-bonded Turntrans-76-10.8177.6-51.1176.1-178-176.10113.3N355 H359N355-K357 PolarHBondContact O-N 3.28Å; N355-K357 VanDerWaalsContact OD1-CB 3.26Å; N355-K357 WeakPolarHBondContact OD1-CB 3.22Å; N355-K357 WeakPolarHBondContact OD1-CG 3.35Å; N355-K357 PolarHBondContact OD1-N 2.79Å; K357-H359 PolarHBondContact O-CD2 3.09Å; K357-H359 PolarHBondContact O-NE2 2.93Å
358L85.6Confident88.4Confident66 Ų6668.1 Ų68.135%0.34635%0.345SS..PPolyproline II helixtrans-78124.4179.4-69.8168.7000109.9R351 K352 N355 P356R351-L358 HydrophobicContact CB-CD1 3.59Å; K352-L358 WeakPolarHBondContact CD-O 3.45Å; K352-L358 WeakPolarHBondContact CE-O 3.08Å; N355-L358 HydrophobicContact CB-CD1 3.98Å; N355-L358 HydrophobicContact CB-CG 4.23Å; N355-L358 PolarHBondContact O-N 2.98Å; P356-L358 PolarHBondContact O-N 3Å
359H86.3Confident88.3Confident84 Ų8467.3 Ų67.339%0.38934%0.342SS..PPolyproline II helixtrans-100.7154.5175.4-58.7-64.3000110.7C334 E336 K357 T363C334-H359 VanDerWaalsContact SG-CE1 3.52Å; E336-H359 WeakPolarHBondContact OE1-CA 3.33Å; E336-H359 IonicContact OE1-ND1 2.72Å; K357-H359 PolarHBondContact O-CD2 3.09Å; K357-H359 PolarHBondContact O-NE2 2.93Å; H359-T363 HydrophobicContact CB-CG2 4.17Å
360A85.9Confident88.4Confident8 Ų870.8 Ų70.87%0.06636%0.355CS..PPolyproline II helixtrans-77.2161.4170.200000111.1E336 I340 I348 G362 T363E336-A360 PolarHBondContact OE1-N 3.23Å; E336-A360 WeakPolarHBondContact OE2-CA 3.5Å; E336-A360 WeakPolarHBondContact OE2-CB 3.38Å; E336-A360 PolarHBondContact OE2-N 3.31Å; I340-A360 HydrophobicContact CD1-CB 4.06Å; I348-A360 HydrophobicContact CD1-CB 3.92Å; A360-G362 PolarHBondContact O-N 3.5Å; A360-T363 PolarHBondContact N-OG1 3.4Å; A360-T363 WeakPolarHBondContact O-CB 3.42Å; A360-T363 PolarHBondContact O-N 3.25Å; A360-T363 PolarHBondContact O-OG1 2.96Å
361E85.5Confident88.6Confident190 Ų19070.1 Ų70.189%0.88835%0.35SS*.THydrogen-bonded Turntrans-65.1130.8175.1-168.8171.6-177.700110
362G83.5Confident88.7Confident60 Ų6064.5 Ų64.562%0.61933%0.333SS*.THydrogen-bonded Turntrans85.611.3-174.800000115.3A360 E364A360-G362 PolarHBondContact O-N 3.5Å; G362-E364 PolarHBondContact O-N 3.46Å
363T91.1Very high88.8Confident28 Ų2864.3 Ų64.317%0.17233%0.332CS..  trans-64.2130.9171.8-58.80000111.1C334 I335 E336 H359 A360C334-T363 HydrophobicContact CB-CG2 4.06Å; I335-T363 WeakPolarHBondContact O-CG2 3.48Å; E336-T363 VanDerWaalsContact CD-OG1 3.24Å; E336-T363 PolarHBondContact OE2-OG1 2.97Å; H359-T363 HydrophobicContact CB-CG2 4.17Å; A360-T363 PolarHBondContact N-OG1 3.4Å; A360-T363 WeakPolarHBondContact O-CB 3.42Å; A360-T363 PolarHBondContact O-N 3.25Å; A360-T363 PolarHBondContact O-OG1 2.96Å
364E91.3Very high89Confident131 Ų13165.6 Ų65.661%0.61234%0.337SS*.EExtended strand (participates in β ladder)trans-91.9121.9170.9-64.9-172.4174.300109.7C334 I335 G362C334-E364 WeakPolarHBondContact CA-O 3.36Å; I335-E364 HydrophobicContact CB-CB 4.44Å; I335-E364 PolarHBondContact N-O 3.04Å; I335-E364 PolarHBondContact O-N 3.37Å; G362-E364 PolarHBondContact O-N 3.46Å
365C91.1Very high89.1Confident76 Ų7657.3 Ų57.351%0.51431%0.307SS..EExtended strand (participates in β ladder)trans-112117177.1-63.90000109.2I333 C334I333-C365 CarbonylContact O-C 3.06Å; I333-C365 WeakPolarHBondContact O-CA 3.34Å; C334-C365 PolarHBondContact SG-SG 3.43Å
366L92.2Very high88.9Confident27 Ų2757.2 Ų57.214%0.14131%0.31CS..EExtended strand (participates in β ladder)trans-114.4147.4177.459.194.2000111.2I252 Y254 I333 I335I252-L366 HydrophobicContact CD1-CD2 4.13Å; Y254-L366 HydrophobicContact CD1-CD1 4.1Å; Y254-L366 HydrophobicContact CD2-CD1 4.01Å; Y254-L366 HydrophobicContact CE1-CD1 4.09Å; Y254-L366 HydrophobicContact CE1-CD2 4.24Å; Y254-L366 HydrophobicContact CE2-CD1 3.98Å; Y254-L366 HydrophobicContact CG-CD1 4.06Å; I333-L366 HydrophobicContact CB-CD1 3.52Å; I333-L366 HydrophobicContact CB-CG 3.85Å; I333-L366 HydrophobicContact CD1-CD1 3.56Å; I333-L366 HydrophobicContact CG1-CD1 3.88Å; I333-L366 HydrophobicContact CG2-CD1 4.06Å; I333-L366 HydrophobicContact CG2-CG 4.25Å; I333-L366 PolarHBondContact N-O 2.9Å; I333-L366 PolarHBondContact O-N 3.04Å; I335-L366 HydrophobicContact CD1-CD2 3.5Å; I335-L366 VanDerWaalsContact CD1-CD2 3.5Å; I335-L366 HydrophobicContact CD1-CG 4.43Å
367Q92.5Very high88.2Confident94 Ų9463.7 Ų63.744%0.43934%0.335SS..EExtended strand (participates in β ladder)trans-103.1130-177.9-61.9176.9-9.800109P257 F330P257-Q367 HydrophobicContact CG-CB 4.01Å; F330-Q367 HydrophobicContact CB-CB 4.47Å; F330-Q367 HydrophobicContact CD2-CB 3.68Å; F330-Q367 HydrophobicContact CD2-CG 3.64Å; F330-Q367 HydrophobicContact CE2-CB 4.08Å; F330-Q367 HydrophobicContact CE2-CG 3.51Å; F330-Q367 HydrophobicContact CG-CB 4.11Å; F330-Q367 HydrophobicContact CG-CG 4.43Å; F330-Q367 HydrophobicContact CZ-CG 4.2Å
368A92.3Very high87.4Confident0 Ų063.2 Ų63.20%036%0.357CS..EExtended strand (participates in β ladder)trans-142.9159.4-178.200000110.7Y254 T255 F330 L331 I333Y254-A368 HydrophobicContact CD2-CB 3.81Å; Y254-A368 HydrophobicContact CG-CB 4.28Å; T255-A368 CarbonylContact O-C 3.48Å; T255-A368 WeakPolarHBondContact O-CA 3.02Å; T255-A368 VanDerWaalsContact O-CB 3.27Å; T255-A368 WeakPolarHBondContact O-CB 3.37Å; F330-A368 CarbonylContact C-O 3.57Å; F330-A368 VanDerWaalsContact CA-O 3.31Å; F330-A368 WeakPolarHBondContact CA-O 3.48Å; F330-A368 WeakPolarHBondContact CB-O 3.27Å; L331-A368 HydrophobicContact CD1-CB 3.98Å; L331-A368 VanDerWaalsContact CG-O 3.31Å; L331-A368 WeakPolarHBondContact CG-O 3.38Å; L331-A368 PolarHBondContact N-O 3.17Å; L331-A368 PolarHBondContact O-N 2.97Å; I333-A368 HydrophobicContact CD1-CB 3.9Å
369S90.7Very high86.2Confident16 Ų1662.4 Ų62.411%0.11236%0.36CS..SBendtrans-98.1-37170.152.10000111.8T255 G256 T258 L399T255-S369 PolarHBondContact O-N 3.49Å; G256-S369 WeakPolarHBondContact O-CB 3.44Å; G256-S369 PolarHBondContact O-N 3.2Å; G256-S369 PolarHBondContact O-OG 2.97Å; T258-S369 WeakPolarHBondContact OG1-CB 3.24Å; T258-S369 PolarHBondContact OG1-OG 2.77Å; S369-L399 WeakPolarHBondContact O-CB 3.48Å; S369-L399 PolarHBondContact O-N 2.89Å; S369-L399 VanDerWaalsContact O-N 3.11Å
370R93.9Very high85Confident73 Ų7362 Ų6228%0.27538%0.378SS..EExtended strand (participates in β ladder)trans-138.6143.6179.5-169.6-179.6-173.5-170.1-2.9108.8Y254 T255 W303 E396 V397 K398Y254-R370 WeakPolarHBondContact CA-O 3.41Å; T255-R370 PolarHBondContact N-O 3.4Å; W303-R370 HydrophobicContact CH2-CG 4.42Å; R370-E396 IonicContact CZ-OE1 3.32Å; R370-E396 IonicContact NE-OE1 2.82Å; R370-E396 PolarHBondContact NE-OE1 3.44Å; R370-E396 IonicContact NH2-OE1 2.78Å; R370-E396 PolarHBondContact NH2-OE1 3.32Å; R370-E396 IonicContact NH2-OE2 2.75Å; R370-E396 PolarHBondContact NH2-OE2 3.46Å; R370-V397 CarbonylContact C-O 3.6Å; R370-V397 WeakPolarHBondContact CA-O 3.45Å; R370-V397 WeakPolarHBondContact CG-O 3.32Å; R370-K398 HydrophobicContact CG-CB 4.41Å
371C94.3Very high84.7Confident1 Ų163.1 Ų63.11%0.00739%0.39CS..EExtended strand (participates in β ladder)trans-145.1154.217065.10000111.6S253 I333 V397S253-C371 CarbonylContact O-C 3.59Å; S253-C371 WeakPolarHBondContact O-CA 3.45Å; I333-C371 HydrophobicContact CD1-CB 3.76Å; C371-V397 PolarHBondContact N-O 3.32Å; C371-V397 PolarHBondContact O-N 3.11Å; C371-V397 VanDerWaalsContact O-O 3.1Å
372T94.6Very high84.9Confident32 Ų3255.5 Ų55.520%0.19636%0.358CS..EExtended strand (participates in β ladder)trans-115.8127170.6-57.50000107.6I252 S253 W303 L374 V395I252-T372 WeakPolarHBondContact CA-O 3.28Å; S253-T372 PolarHBondContact N-O 3.17Å; S253-T372 PolarHBondContact O-N 3.09Å; W303-T372 WeakPolarHBondContact CZ3-OG1 3.24Å; T372-L374 HydrophobicContact CG2-CD2 4.43Å; T372-L374 HydrophobicContact CG2-CG 4.4Å; T372-V395 WeakPolarHBondContact CA-O 3.25Å
373L92.7Very high85.3Confident0 Ų052.8 Ų52.80%033%0.33CS..EExtended strand (participates in β ladder)trans-103.7116.5177.2178.365.3000108.5A250 I252 L313 V375 F383 P394 V395A250-L373 HydrophobicContact CB-CD1 3.95Å; I252-L373 HydrophobicContact CG2-CD1 3.52Å; L313-L373 HydrophobicContact CD2-CD1 3.52Å; L313-L373 HydrophobicContact CD2-CD2 4.02Å; L313-L373 HydrophobicContact CD2-CG 4.42Å; L373-V375 HydrophobicContact CD2-CG2 4.23Å; L373-V375 HydrophobicContact CG-CG2 4.05Å; L373-F383 HydrophobicContact CD2-CE1 4.01Å; L373-F383 HydrophobicContact CD2-CZ 3.86Å; L373-P394 VanDerWaalsContact O-CA 3.3Å; L373-P394 WeakPolarHBondContact O-CA 3.49Å; L373-V395 HydrophobicContact CB-CG2 3.98Å; L373-V395 HydrophobicContact CD2-CG2 4.28Å; L373-V395 PolarHBondContact N-O 3.04Å; L373-V395 PolarHBondContact O-N 3.35Å
374L91.8Very high85.3Confident79 Ų7952.4 Ų52.441%0.41433%0.328SS..EExtended strand (participates in β ladder)trans-104.1108.9175.6-63.9166.3000108.5S251 T372 P394S251-L374 PolarHBondContact N-O 2.9Å; S251-L374 PolarHBondContact O-N 3.33Å; T372-L374 HydrophobicContact CG2-CD2 4.43Å; T372-L374 HydrophobicContact CG2-CG 4.4Å; L374-P394 HydrophobicContact CD2-CB 4.24Å
375V87.6Confident85.4Confident16 Ų1646.3 Ų46.310%0.09730%0.3CS..PPolyproline II helixtrans-95.7133.8175.2-175.80000108.5W211 L373 A379 F383W211-V375 HydrophobicContact CH2-CG1 4.02Å; W211-V375 HydrophobicContact CH2-CG2 4.36Å; W211-V375 HydrophobicContact CZ2-CG1 3.72Å; W211-V375 HydrophobicContact CZ2-CG2 4.39Å; L373-V375 HydrophobicContact CD2-CG2 4.23Å; L373-V375 HydrophobicContact CG-CG2 4.05Å; V375-A379 HydrophobicContact CG1-CB 4.06Å; V375-F383 HydrophobicContact CG2-CE1 4.17Å; V375-F383 HydrophobicContact CG2-CZ 3.76Å
376P82.4Confident85.4Confident64 Ų6443.1 Ų43.142%0.41628%0.277SS..PPolyproline II helixtrans-61.5139.8-178.815.8-23.1000112.4Q249 G378 A379Q249-P376 WeakPolarHBondContact O-CD 3.35Å; Q249-P376 VanDerWaalsContact O-CG 3.31Å; Q249-P376 WeakPolarHBondContact O-CG 3.31Å; P376-G378 PolarHBondContact O-N 3.25Å; P376-A379 HydrophobicContact CG-CB 4.03Å; P376-A379 VanDerWaalsContact O-CB 3.24Å; P376-A379 WeakPolarHBondContact O-CB 3.48Å; P376-A379 PolarHBondContact O-N 3.09Å; P376-A379 VanDerWaalsContact O-N 3.16Å
377E67.6Low85.1Confident198 Ų19846.3 Ų46.393%0.92530%0.302SS*.THydrogen-bonded Turntrans-60.5124.2-179.9-66.9-179.5171.200110.7
378G61.8Low84.9Confident84 Ų8443.5 Ų43.587%0.86629%0.289SS*.THydrogen-bonded Turntrans88.92.8-17900000115.6P376 G380P376-G378 PolarHBondContact O-N 3.25Å; G378-G380 PolarHBondContact O-N 3.42Å
379A60.3Low84.8Confident50 Ų5048.8 Ų48.841%0.41331%0.313SS..  trans-64.2-9.7179.700000115.1V375 P376V375-A379 HydrophobicContact CG1-CB 4.06Å; P376-A379 HydrophobicContact CG-CB 4.03Å; P376-A379 VanDerWaalsContact O-CB 3.24Å; P376-A379 WeakPolarHBondContact O-CB 3.48Å; P376-A379 PolarHBondContact O-N 3.09Å; P376-A379 VanDerWaalsContact O-N 3.16Å
380G63Low84.8Confident74 Ų7449.6 Ų49.676%0.76331%0.314SS*.  trans52.599.4171.300000113.7G378G378-G380 PolarHBondContact O-N 3.42Å
381G79.4Confident84.7Confident32 Ų3252.9 Ų52.933%0.3333%0.333SS..  trans-178178.6177.700000112.7A392G381-A392 WeakPolarHBondContact O-CB 3.48Å; G381-A392 PolarHBondContact O-N 2.94Å
382S89Confident84.4Confident31 Ų3154 Ų5422%0.21734%0.342CS..EExtended strand (participates in β ladder)trans-132.7137.5-179.5-52.20000110.2R215 E389 Y390R215-S382 PolarHBondContact NE-O 2.92Å; S382-E389 WeakPolarHBondContact CB-OE1 3.49Å; S382-E389 PolarHBondContact OG-OE1 2.83Å; S382-Y390 CarbonylContact C-O 3.59Å; S382-Y390 WeakPolarHBondContact CA-O 3.02Å; S382-Y390 VanDerWaalsContact CB-O 3.27Å; S382-Y390 WeakPolarHBondContact CB-O 3.46Å
383F91.1Very high84.2Confident3 Ų354.4 Ų54.41%0.01334%0.342CS..EExtended strand (participates in β ladder)trans-74.9155.5166.3-59.6-39.7000110.5L209 W211 R215 L373 V375 Y390 A392 M393 V395L209-F383 HydrophobicContact CD1-CB 4.22Å; L209-F383 HydrophobicContact CD1-CD2 4.06Å; L209-F383 HydrophobicContact CD1-CG 4.04Å; L209-F383 HydrophobicContact CD2-CD1 4.35Å; L209-F383 HydrophobicContact CG-CB 4.34Å; L209-F383 HydrophobicContact CG-CG 4.43Å; W211-F383 HydrophobicContact CB-CD1 3.64Å; W211-F383 HydrophobicContact CB-CE1 3.88Å; W211-F383 AromaticContact CD1-CD1 3.48Å; W211-F383 VanDerWaalsContact CD1-CD1 3.48Å; W211-F383 AromaticContact CD1-CE1 3.6Å; W211-F383 HydrophobicContact CD2-CD1 4.48Å; W211-F383 AromaticContact CD2-CE1 3.97Å; W211-F383 HydrophobicContact CD2-CE1 3.97Å; W211-F383 AromaticContact CG-CD1 3.58Å; W211-F383 HydrophobicContact CG-CD1 3.58Å; W211-F383 AromaticContact CG-CE1 3.53Å; W211-F383 HydrophobicContact CG-CE1 3.53Å; R215-F383 PolarHBondContact NH2-O 2.91Å; L373-F383 HydrophobicContact CD2-CE1 4.01Å; L373-F383 HydrophobicContact CD2-CZ 3.86Å; V375-F383 HydrophobicContact CG2-CE1 4.17Å; V375-F383 HydrophobicContact CG2-CZ 3.76Å; F383-Y390 PolarHBondContact N-O 2.98Å; F383-Y390 PolarHBondContact O-N 2.8Å; F383-A392 HydrophobicContact CD1-CB 4.08Å; F383-A392 HydrophobicContact CD2-CB 4.4Å; F383-A392 HydrophobicContact CE1-CB 3.82Å; F383-A392 HydrophobicContact CE2-CB 4.16Å; F383-A392 HydrophobicContact CG-CB 4.38Å; F383-A392 HydrophobicContact CZ-CB 3.87Å; F383-M393 VanDerWaalsContact CE2-N 3.35Å; F383-M393 VanDerWaalsContact CE2-O 3.24Å; F383-M393 WeakPolarHBondContact CE2-O 2.88Å; F383-M393 WeakPolarHBondContact CZ-O 3.45Å; F383-V395 HydrophobicContact CE2-CG1 4.16Å; F383-V395 HydrophobicContact CE2-CG2 4.17Å
384S92.8Very high84.2Confident19 Ų1956.3 Ų56.313%0.13335%0.354CS..EExtended strand (participates in β ladder)trans-113.8118.7160.3-1710000109.5L209 R210 E388L209-S384 CarbonylContact C-O 3.42Å; L209-S384 WeakPolarHBondContact CA-O 3.43Å; R210-S384 PolarHBondContact N-O 2.92Å; R210-S384 PolarHBondContact O-N 3.38Å; S384-E388 CarbonylContact C-O 3.59Å; S384-E388 VanDerWaalsContact CA-O 3.22Å; S384-E388 WeakPolarHBondContact CA-O 3.22Å; S384-E388 PolarHBondContact OG-O 3.37Å
385I93.4Very high84.3Confident4 Ų452.9 Ų52.92%0.02134%0.337CS..EExtended strand (participates in β ladder)trans-111.8114175.6-56.7176.5000106.8I195 V203 A205 L209 S387 E388 Y390I195-I385 HydrophobicContact CD1-CD1 3.84Å; I195-I385 HydrophobicContact CD1-CG1 4.12Å; I195-I385 HydrophobicContact CD1-CG2 3.87Å; I195-I385 HydrophobicContact CG2-CD1 4.38Å; V203-I385 HydrophobicContact CG1-CD1 4.24Å; V203-I385 HydrophobicContact CG1-CG2 4.47Å; A205-I385 HydrophobicContact CB-CG2 3.47Å; A205-I385 VanDerWaalsContact CB-CG2 3.47Å; L209-I385 HydrophobicContact CB-CG1 4.42Å; L209-I385 HydrophobicContact CD1-CD1 4.33Å; L209-I385 HydrophobicContact CD1-CG1 4.13Å; L209-I385 HydrophobicContact CG-CG1 4.32Å; I385-S387 PolarHBondContact O-N 2.94Å; I385-S387 VanDerWaalsContact O-N 3.07Å; I385-E388 PolarHBondContact N-O 3.43Å; I385-E388 PolarHBondContact O-N 2.91Å; I385-Y390 HydrophobicContact CB-CD2 3.86Å; I385-Y390 HydrophobicContact CB-CE2 3.96Å; I385-Y390 HydrophobicContact CD1-CD1 4.43Å; I385-Y390 HydrophobicContact CD1-CD2 3.72Å; I385-Y390 HydrophobicContact CD1-CE2 4.15Å; I385-Y390 HydrophobicContact CD1-CG 3.88Å; I385-Y390 HydrophobicContact CG1-CD2 3.88Å; I385-Y390 HydrophobicContact CG1-CE2 4.39Å; I385-Y390 HydrophobicContact CG1-CG 4.42Å
386D90.1Very high84.7Confident9 Ų954.9 Ų54.95%0.04835%0.345CS..THydrogen-bonded Turntrans46.540-177.8-70.8-4.2000114.8D125 G126 Q129 M206 T207 G208D125-D386 CarbonylContact C-O 3.58Å; D125-D386 HydrophobicContact CB-CB 4.46Å; D125-D386 WeakPolarHBondContact CB-O 3.41Å; G126-D386 PolarHBondContact N-O 3.14Å; Q129-D386 HydrophobicContact CB-CB 4.01Å; Q129-D386 HydrophobicContact CG-CB 4.06Å; M206-D386 PolarHBondContact N-OD2 3.4Å; T207-D386 VanDerWaalsContact CA-OD1 3.28Å; T207-D386 WeakPolarHBondContact CA-OD1 3.45Å; T207-D386 WeakPolarHBondContact CB-OD1 3.29Å; T207-D386 PolarHBondContact N-OD1 3.29Å; T207-D386 PolarHBondContact N-OD2 3.36Å; T207-D386 PolarHBondContact OG1-OD1 3.05Å; G208-D386 PolarHBondContact N-OD1 2.9Å; G208-D386 PolarHBondContact O-N 3.37Å; G208-D386 VanDerWaalsContact O-N 3.14Å
387S85.1Confident85.3Confident94 Ų9451.8 Ų51.866%0.65733%0.325SS*.THydrogen-bonded Turntrans75.38.8-177.7-46.10000116.9I385I385-S387 PolarHBondContact O-N 2.94Å; I385-S387 VanDerWaalsContact O-N 3.07Å
388E88.8Confident86.6Confident35 Ų3546.8 Ų46.816%0.16430%0.3CS..EExtended strand (participates in β ladder)trans-99.5147.7168.6-171.7-177.6-159.300110.3Q129 S384 I385 Y390Q129-E388 PolarHBondContact OE1-OE2 2.7Å; S384-E388 CarbonylContact C-O 3.59Å; S384-E388 VanDerWaalsContact CA-O 3.22Å; S384-E388 WeakPolarHBondContact CA-O 3.22Å; S384-E388 PolarHBondContact OG-O 3.37Å; I385-E388 PolarHBondContact N-O 3.43Å; I385-E388 PolarHBondContact O-N 2.91Å; E388-Y390 HydrophobicContact CB-CD2 4.44Å; E388-Y390 HydrophobicContact CB-CE2 3.86Å; E388-Y390 HydrophobicContact CG-CD2 4.37Å; E388-Y390 HydrophobicContact CG-CE2 3.74Å; E388-Y390 WeakPolarHBondContact OE2-CE2 2.94Å; E388-Y390 PolarHBondContact OE2-OH 3.24Å
389E90.9Very high88.2Confident110 Ų11043.3 Ų43.351%0.51426%0.262SS..EExtended strand (participates in β ladder)trans-92.1125.3-177.7171.7149.5-127.700110.9R215 S382R215-E389 IonicContact CZ-OE1 3.52Å; R215-E389 IonicContact NH1-OE1 3.16Å; R215-E389 PolarHBondContact NH1-OE1 2.89Å; R215-E389 IonicContact NH2-OE1 2.68Å; R215-E389 PolarHBondContact NH2-OE1 3.49Å; S382-E389 WeakPolarHBondContact CB-OE1 3.49Å; S382-E389 PolarHBondContact OG-OE1 2.83Å
390Y91.1Very high89.7Confident33 Ų3342.3 Ų42.313%0.12925%0.249CC..EExtended strand (participates in β ladder)trans-124.8149.6176.5-74.8-96.4000109.9Q129 V203 S382 F383 I385 E388Q129-Y390 PolarHBondContact OE1-OH 3Å; V203-Y390 HydrophobicContact CG1-CE1 4.14Å; V203-Y390 HydrophobicContact CG1-CE2 4.47Å; V203-Y390 HydrophobicContact CG2-CD1 4.45Å; V203-Y390 HydrophobicContact CG2-CE1 3.8Å; S382-Y390 CarbonylContact C-O 3.59Å; S382-Y390 WeakPolarHBondContact CA-O 3.02Å; S382-Y390 VanDerWaalsContact CB-O 3.27Å; S382-Y390 WeakPolarHBondContact CB-O 3.46Å; F383-Y390 PolarHBondContact N-O 2.98Å; F383-Y390 PolarHBondContact O-N 2.8Å; I385-Y390 HydrophobicContact CB-CD2 3.86Å; I385-Y390 HydrophobicContact CB-CE2 3.96Å; I385-Y390 HydrophobicContact CD1-CD1 4.43Å; I385-Y390 HydrophobicContact CD1-CD2 3.72Å; I385-Y390 HydrophobicContact CD1-CE2 4.15Å; I385-Y390 HydrophobicContact CD1-CG 3.88Å; I385-Y390 HydrophobicContact CG1-CD2 3.88Å; I385-Y390 HydrophobicContact CG1-CE2 4.39Å; I385-Y390 HydrophobicContact CG1-CG 4.42Å; E388-Y390 HydrophobicContact CB-CD2 4.44Å; E388-Y390 HydrophobicContact CB-CE2 3.86Å; E388-Y390 HydrophobicContact CG-CD2 4.37Å; E388-Y390 HydrophobicContact CG-CE2 3.74Å; E388-Y390 WeakPolarHBondContact OE2-CE2 2.94Å; E388-Y390 PolarHBondContact OE2-OH 3.24Å
391E90.4Very high91Very high143 Ų14341.3 Ų41.367%0.66823%0.229SC*.EExtended strand (participates in β ladder)trans-65.5136174.8-171172-17700110.5M393E391-M393 HydrophobicContact CB-CE 4.26Å; E391-M393 PolarHBondContact O-N 3.42Å
392A88.8Confident91.5Very high24 Ų2443.8 Ų43.820%0.19823%0.229CC..  trans-73.3123.4178.200000110.5G381 F383G381-A392 WeakPolarHBondContact O-CB 3.48Å; G381-A392 PolarHBondContact O-N 2.94Å; F383-A392 HydrophobicContact CD1-CB 4.08Å; F383-A392 HydrophobicContact CD2-CB 4.4Å; F383-A392 HydrophobicContact CE1-CB 3.82Å; F383-A392 HydrophobicContact CE2-CB 4.16Å; F383-A392 HydrophobicContact CG-CB 4.38Å; F383-A392 HydrophobicContact CZ-CB 3.87Å
393M90.4Very high91.7Very high40 Ų4045 Ų4520%0.19723%0.23CC..  trans-147.6166.217865-175.87700110.1E200 F383 E391 V395E200-M393 HydrophobicContact CG-CE 4.46Å; F383-M393 VanDerWaalsContact CE2-N 3.35Å; F383-M393 VanDerWaalsContact CE2-O 3.24Å; F383-M393 WeakPolarHBondContact CE2-O 2.88Å; F383-M393 WeakPolarHBondContact CZ-O 3.45Å; E391-M393 HydrophobicContact CB-CE 4.26Å; E391-M393 PolarHBondContact O-N 3.42Å; M393-V395 HydrophobicContact CG-CG1 3.9Å; M393-V395 PolarHBondContact O-N 2.97Å
394P92.3Very high91.9Very high40 Ų4044.8 Ų44.826%0.2623%0.229SC..  trans-55.7126.1167.5-26.937.4000111L373 L374L373-P394 VanDerWaalsContact O-CA 3.3Å; L373-P394 WeakPolarHBondContact O-CA 3.49Å; L374-P394 HydrophobicContact CD2-CB 4.24Å
395V93.9Very high92Very high8 Ų847.4 Ų47.45%0.04824%0.24CC..EExtended strand (participates in β ladder)trans-135140.4-177.2-68.30000111.8I195 K196 T372 L373 F383 M393 V397I195-V395 HydrophobicContact CG2-CB 3.96Å; I195-V395 HydrophobicContact CG2-CG1 4.08Å; I195-V395 HydrophobicContact CG2-CG2 4.24Å; K196-V395 WeakPolarHBondContact O-CA 3.34Å; T372-V395 WeakPolarHBondContact CA-O 3.25Å; L373-V395 HydrophobicContact CB-CG2 3.98Å; L373-V395 HydrophobicContact CD2-CG2 4.28Å; L373-V395 PolarHBondContact N-O 3.04Å; L373-V395 PolarHBondContact O-N 3.35Å; F383-V395 HydrophobicContact CE2-CG1 4.16Å; F383-V395 HydrophobicContact CE2-CG2 4.17Å; M393-V395 HydrophobicContact CG-CG1 3.9Å; M393-V395 PolarHBondContact O-N 2.97Å; V395-V397 HydrophobicContact CG2-CG2 4.26Å
396E95.3Very high92.1Very high57 Ų5747.2 Ų47.227%0.26624%0.239SC..EExtended strand (participates in β ladder)trans-95125.8168-163.3-159.313400109.1I195 K196 R370I195-E396 CarbonylContact C-O 3.42Å; I195-E396 WeakPolarHBondContact CA-O 3.48Å; K196-E396 PolarHBondContact N-O 2.98Å; K196-E396 PolarHBondContact O-N 2.89Å; R370-E396 IonicContact CZ-OE1 3.32Å; R370-E396 IonicContact NE-OE1 2.82Å; R370-E396 PolarHBondContact NE-OE1 3.44Å; R370-E396 IonicContact NH2-OE1 2.78Å; R370-E396 PolarHBondContact NH2-OE1 3.32Å; R370-E396 IonicContact NH2-OE2 2.75Å; R370-E396 PolarHBondContact NH2-OE2 3.46Å
397V95.8Very high92.4Very high0 Ų047.3 Ų47.30%024%0.238CC..EExtended strand (participates in β ladder)trans-114.4126179.7-1720000109.7L193 Q194 I195 I315 L331 R370 C371 V395L193-V397 HydrophobicContact CD2-CG1 4.19Å; Q194-V397 CarbonylContact O-C 3.58Å; Q194-V397 WeakPolarHBondContact O-CA 3.28Å; I195-V397 HydrophobicContact CG1-CG1 4.18Å; I195-V397 HydrophobicContact CG1-CG2 4.27Å; I195-V397 HydrophobicContact CG2-CG2 4.36Å; I315-V397 HydrophobicContact CD1-CG2 4.23Å; I315-V397 HydrophobicContact CG2-CG1 4.14Å; L331-V397 HydrophobicContact CD2-CG1 4.08Å; R370-V397 CarbonylContact C-O 3.6Å; R370-V397 WeakPolarHBondContact CA-O 3.45Å; R370-V397 WeakPolarHBondContact CG-O 3.32Å; C371-V397 PolarHBondContact N-O 3.32Å; C371-V397 PolarHBondContact O-N 3.11Å; C371-V397 VanDerWaalsContact O-O 3.1Å; V395-V397 HydrophobicContact CG2-CG2 4.26Å
398K95.1Very high92.9Very high92 Ų9242.8 Ų42.840%0.421%0.207SC..EExtended strand (participates in β ladder)trans-129.8134.5179.7179.3176.6179178.60110.6Q194 R370 L400Q194-K398 HydrophobicContact CB-CB 4.5Å; Q194-K398 PolarHBondContact N-O 3.36Å; Q194-K398 PolarHBondContact O-N 3.4Å; R370-K398 HydrophobicContact CG-CB 4.41Å; K398-L400 HydrophobicContact CD-CD2 4.44Å; K398-L400 HydrophobicContact CG-CD2 4.5Å
399L94.4Very high93.1Very high12 Ų1241.8 Ų41.86%0.06320%0.203CC..EExtended strand (participates in β ladder)trans-78.9132.2170.5-170.770.9000110.9D191 L193 T317 D329 L331 S369D191-L399 HydrophobicContact CB-CD1 3.92Å; L193-L399 HydrophobicContact CD2-CB 4.5Å; L193-L399 HydrophobicContact CD2-CD1 3.75Å; T317-L399 HydrophobicContact CG2-CD1 4.27Å; D329-L399 HydrophobicContact CB-CD2 4.45Å; L331-L399 HydrophobicContact CB-CD1 4.38Å; L331-L399 HydrophobicContact CD2-CB 4.47Å; S369-L399 WeakPolarHBondContact O-CB 3.48Å; S369-L399 PolarHBondContact O-N 2.89Å; S369-L399 VanDerWaalsContact O-N 3.11Å
400L93.2Very high93.1Very high28 Ų2838.1 Ų38.115%0.14719%0.188CC..EExtended strand (participates in β ladder)trans-110.196.1169.9-57.8-179.2000108D191 V192 Q194 F204 K398 K403D191-L400 WeakPolarHBondContact CA-O 3.46Å; V192-L400 HydrophobicContact CB-CB 4.41Å; V192-L400 PolarHBondContact N-O 3.28Å; V192-L400 WeakPolarHBondContact O-CA 3.33Å; V192-L400 WeakPolarHBondContact O-CB 3.46Å; V192-L400 PolarHBondContact O-N 3.35Å; Q194-L400 HydrophobicContact CB-CD1 4.1Å; Q194-L400 HydrophobicContact CB-CG 4.28Å; F204-L400 HydrophobicContact CD1-CD1 4.16Å; F204-L400 HydrophobicContact CE1-CD1 3.77Å; K398-L400 HydrophobicContact CD-CD2 4.44Å; K398-L400 HydrophobicContact CG-CD2 4.5Å; L400-K403 HydrophobicContact CB-CB 3.99Å; L400-K403 HydrophobicContact CB-CG 4.27Å; L400-K403 HydrophobicContact CD1-CG 4.45Å
401P90.6Very high93.1Very high53 Ų5344.4 Ų44.434%0.34421%0.212SC..EExtended strand (participates in β ladder)trans-69.2137.7-174.627.6-33.9000111.2D191 D329 K403D191-P401 VanDerWaalsContact OD1-CA 3.24Å; D191-P401 WeakPolarHBondContact OD1-CA 3.35Å; D329-P401 HydrophobicContact CB-CB 4.04Å; D329-P401 WeakPolarHBondContact OD2-CB 3.38Å; P401-K403 PolarHBondContact O-N 2.99Å
402R89.5Confident93Very high85 Ų8539.5 Ų39.532%0.32119%0.188SC..EExtended strand (participates in β ladder)trans5133.3171.2-66.8160.4-75.7151.71.2113.7P189 L190 D191 D329P189-R402 HydrophobicContact CB-CB 3.89Å; P189-R402 HydrophobicContact CB-CG 4.02Å; P189-R402 HydrophobicContact CG-CG 4.26Å; L190-R402 CarbonylContact O-C 3.57Å; L190-R402 WeakPolarHBondContact O-CA 3.47Å; D191-R402 PolarHBondContact OD1-N 2.89Å; D329-R402 IonicContact OD2-CZ 2.99Å; D329-R402 IonicContact OD2-NE 3.53Å; D329-R402 IonicContact OD2-NH2 3.05Å; D329-R402 PolarHBondContact OD2-NH2 2.94Å
403K92.9Very high92.9Very high55 Ų5542.3 Ų42.324%0.23919%0.194CC..EExtended strand (participates in β ladder)trans-74.6-30.2-170-176.660.5176.5-171.20112.9L136 E141 L190 V192 L400 P401L136-K403 HydrophobicContact CD2-CG 4.01Å; E141-K403 WeakPolarHBondContact OE1-CE 3.16Å; E141-K403 IonicContact OE1-NZ 2.75Å; E141-K403 PolarHBondContact OE1-NZ 3.33Å; E141-K403 IonicContact OE2-NZ 3.71Å; E141-K403 PolarHBondContact OE2-NZ 3.47Å; L190-K403 PolarHBondContact O-N 3.38Å; V192-K403 HydrophobicContact CG2-CB 4.11Å; L400-K403 HydrophobicContact CB-CB 3.99Å; L400-K403 HydrophobicContact CB-CG 4.27Å; L400-K403 HydrophobicContact CD1-CG 4.45Å; P401-K403 PolarHBondContact O-N 2.99Å
404L95Very high92.7Very high0 Ų046.8 Ų46.80%021%0.214CC..EExtended strand (participates in β ladder)trans-124.7151.1-176.8-66178.7000111.4V132 V135 L136 I149 P189 L190 V192 M206 F406V132-L404 HydrophobicContact CB-CD1 4.31Å; V132-L404 HydrophobicContact CG1-CD1 3.68Å; V132-L404 HydrophobicContact CG2-CD1 3.84Å; V135-L404 HydrophobicContact CG1-CD2 4.32Å; L136-L404 HydrophobicContact CD1-CD1 4.28Å; L136-L404 HydrophobicContact CD2-CD2 3.98Å; L136-L404 HydrophobicContact CG-CD2 4.5Å; I149-L404 HydrophobicContact CD1-CD1 4.15Å; I149-L404 HydrophobicContact CD1-CD2 4.35Å; P189-L404 CarbonylContact C-O 3.54Å; P189-L404 WeakPolarHBondContact CA-O 3.45Å; L190-L404 PolarHBondContact N-O 3.25Å; L190-L404 PolarHBondContact O-N 3.15Å; V192-L404 HydrophobicContact CG2-CB 4.38Å; V192-L404 HydrophobicContact CG2-CD1 3.68Å; V192-L404 HydrophobicContact CG2-CG 3.85Å; M206-L404 HydrophobicContact SD-CD1 4.09Å; L404-F406 HydrophobicContact CB-CD2 4.18Å; L404-F406 HydrophobicContact CB-CE2 3.78Å; L404-F406 HydrophobicContact CD1-CE2 4.11Å
405Q94.9Very high92.3Very high74 Ų7450.5 Ų50.535%0.34623%0.228SC..EExtended strand (participates in β ladder)trans-104.8129.9175.6-62.7-179.42.700110P148 I149P148-Q405 WeakPolarHBondContact CA-O 3.38Å; P148-Q405 HydrophobicContact CB-CB 4.35Å; I149-Q405 PolarHBondContact N-O 2.91Å
406F96.3Very high91.5Very high0 Ų051.4 Ų51.40%023%0.232CC..EExtended strand (participates in β ladder)trans-120.7143179.5-83.9-107.5000111.4L128 V132 I149 L164 T187 V188 L190 M206 L404L128-F406 HydrophobicContact CD1-CE1 3.8Å; L128-F406 HydrophobicContact CD1-CZ 4Å; L128-F406 HydrophobicContact CD2-CE1 4Å; L128-F406 HydrophobicContact CD2-CZ 4.39Å; L128-F406 HydrophobicContact CG-CE1 4.47Å; V132-F406 HydrophobicContact CG2-CZ 4.29Å; I149-F406 HydrophobicContact CB-CD1 4.41Å; I149-F406 HydrophobicContact CB-CE1 4.23Å; I149-F406 HydrophobicContact CB-CE2 4.39Å; I149-F406 HydrophobicContact CB-CZ 4.22Å; I149-F406 HydrophobicContact CD1-CE2 4.41Å; I149-F406 HydrophobicContact CD1-CZ 4.39Å; I149-F406 HydrophobicContact CG2-CD1 4.48Å; I149-F406 HydrophobicContact CG2-CE1 3.98Å; I149-F406 HydrophobicContact CG2-CZ 4.18Å; I149-F406 VanDerWaalsContact O-CA 3.29Å; I149-F406 WeakPolarHBondContact O-CA 3.47Å; L164-F406 HydrophobicContact CD1-CB 4.14Å; L164-F406 HydrophobicContact CD1-CD1 3.85Å; L164-F406 HydrophobicContact CD1-CG 4.35Å; L164-F406 HydrophobicContact CD2-CB 4Å; T187-F406 CarbonylContact C-O 3.56Å; T187-F406 VanDerWaalsContact CA-O 3.25Å; T187-F406 WeakPolarHBondContact CA-O 3.2Å; V188-F406 PolarHBondContact N-O 3.28Å; V188-F406 PolarHBondContact O-N 2.9Å; L190-F406 HydrophobicContact CB-CD2 4.23Å; L190-F406 HydrophobicContact CD1-CB 3.96Å; L190-F406 HydrophobicContact CD1-CD1 4.3Å; L190-F406 HydrophobicContact CD1-CD2 3.7Å; L190-F406 HydrophobicContact CD1-CE2 4.26Å; L190-F406 HydrophobicContact CD1-CG 3.72Å; L190-F406 HydrophobicContact CG-CB 4.31Å; L190-F406 HydrophobicContact CG-CD2 4.1Å; L190-F406 HydrophobicContact CG-CG 4.36Å; M206-F406 HydrophobicContact CE-CD2 4.2Å; M206-F406 HydrophobicContact CE-CE2 3.47Å; M206-F406 VanDerWaalsContact CE-CE2 3.47Å; M206-F406 HydrophobicContact CE-CZ 3.69Å; M206-F406 HydrophobicContact CG-CZ 4.45Å; M206-F406 HydrophobicContact SD-CE2 4.02Å; M206-F406 HydrophobicContact SD-CZ 3.97Å; L404-F406 HydrophobicContact CB-CD2 4.18Å; L404-F406 HydrophobicContact CB-CE2 3.78Å; L404-F406 HydrophobicContact CD1-CE2 4.11Å
407F96.5Very high90.5Very high10 Ų1054.6 Ų54.64%0.04425%0.251CS..EExtended strand (participates in β ladder)trans-71.1137.9171-66.6-75.9000111.3V118 P148 I149 I182 E186 T187V118-F407 HydrophobicContact CG1-CE2 3.67Å; V118-F407 HydrophobicContact CG1-CZ 4.24Å; V118-F407 HydrophobicContact CG2-CE2 4.37Å; V118-F407 HydrophobicContact CG2-CZ 4.14Å; P148-F407 HydrophobicContact CB-CD2 4.39Å; P148-F407 HydrophobicContact CB-CE1 4.24Å; P148-F407 HydrophobicContact CB-CE2 3.63Å; P148-F407 HydrophobicContact CB-CZ 3.55Å; P148-F407 HydrophobicContact CG-CE1 4.47Å; P148-F407 HydrophobicContact CG-CE2 3.94Å; P148-F407 HydrophobicContact CG-CZ 3.58Å; I149-F407 PolarHBondContact O-N 3.21Å; I149-F407 VanDerWaalsContact O-N 3.09Å; I182-F407 HydrophobicContact CB-CD2 4.35Å; I182-F407 HydrophobicContact CB-CG 4.35Å; I182-F407 HydrophobicContact CG1-CB 4Å; I182-F407 HydrophobicContact CG1-CD2 4.1Å; I182-F407 HydrophobicContact CG1-CG 4.19Å; I182-F407 HydrophobicContact CG2-CD2 4.01Å; I182-F407 HydrophobicContact CG2-CE2 4.11Å; I182-F407 HydrophobicContact CG2-CG 4.4Å; E186-F407 VanDerWaalsContact O-CA 3.23Å; E186-F407 WeakPolarHBondContact O-CA 3.39Å; E186-F407 WeakPolarHBondContact O-CD1 3.49Å; T187-F407 HydrophobicContact CG2-CD1 3.78Å; T187-F407 HydrophobicContact CG2-CE1 3.66Å; T187-F407 HydrophobicContact CG2-CZ 4.36Å
408C94.3Very high89.1Confident0 Ų058 Ų580%028%0.279CS..  trans-134.4162.217870.80000111.7L164 E186 V188L164-C408 HydrophobicContact CD2-CB 4Å; L164-C408 WeakPolarHBondContact O-CA 3.42Å; L164-C408 WeakPolarHBondContact O-CB 3.34Å; E186-C408 PolarHBondContact O-N 3.31Å; V188-C408 HydrophobicContact CG2-CB 4.23Å; V188-C408 WeakPolarHBondContact CG2-SG 3.48Å
409D93.2Very high87.1Confident13 Ų1356.1 Ų56.17%0.0728%0.277CS..  trans-65.5129.5170.9-172.6-29.4000109.3L164 R411 K412 R413L164-D409 PolarHBondContact O-N 2.92Å; D409-R411 PolarHBondContact O-N 3.03Å; D409-R411 VanDerWaalsContact O-N 3.07Å; D409-R411 PolarHBondContact OD1-N 3.09Å; D409-K412 HydrophobicContact CB-CB 4.28Å; D409-K412 HydrophobicContact CB-CG 4.24Å; D409-K412 WeakPolarHBondContact O-CA 3.41Å; D409-K412 WeakPolarHBondContact O-CB 3.33Å; D409-K412 PolarHBondContact O-N 2.94Å; D409-R413 PolarHBondContact O-N 3.25Å
410P90.9Very high84.6Confident33 Ų3360.4 Ų60.421%0.21431%0.306CS..Hα-helixtrans-49.4-36.9176.4-19.619.5000113.4K184 E186 K412 R413 E414K184-P410 HydrophobicContact CD-CG 3.87Å; E186-P410 HydrophobicContact CG-CB 4.15Å; E186-P410 HydrophobicContact CG-CG 3.85Å; P410-K412 VanDerWaalsContact C-N 3.31Å; P410-K412 PolarHBondContact O-N 2.96Å; P410-R413 WeakPolarHBondContact O-CB 3.32Å; P410-R413 PolarHBondContact O-N 3.08Å; P410-E414 WeakPolarHBondContact O-CG 3.43Å; P410-E414 PolarHBondContact O-N 3.36Å
411R90.4Very high82.1Confident165 Ų16564.6 Ų64.662%0.62333%0.333SS*.Hα-helixtrans-64.3-36.7178.3-60.3172.5-176.2165.63.5112.1D409 Q415D409-R411 PolarHBondContact O-N 3.03Å; D409-R411 VanDerWaalsContact O-N 3.07Å; D409-R411 PolarHBondContact OD1-N 3.09Å; R411-Q415 VanDerWaalsContact O-CG 3.28Å; R411-Q415 WeakPolarHBondContact O-CG 3.5Å; R411-Q415 PolarHBondContact O-N 3.36Å; R411-Q415 VanDerWaalsContact O-N 3.09Å
412K88.4Confident79.2Confident41 Ų4175 Ų7518%0.17838%0.376CS..Hα-helixtrans-71.7-39.5175.3-77.3-73.2-175.4163.30110.7H162 F165 D409 P410 E414 Q415 M416H162-K412 PolarHBondContact O-NZ 3.37Å; F165-K412 VanDerWaalsContact O-CE 3.24Å; F165-K412 WeakPolarHBondContact O-CE 3.37Å; D409-K412 HydrophobicContact CB-CB 4.28Å; D409-K412 HydrophobicContact CB-CG 4.24Å; D409-K412 WeakPolarHBondContact O-CA 3.41Å; D409-K412 WeakPolarHBondContact O-CB 3.33Å; D409-K412 PolarHBondContact O-N 2.94Å; P410-K412 VanDerWaalsContact C-N 3.31Å; P410-K412 PolarHBondContact O-N 2.96Å; K412-E414 VanDerWaalsContact C-N 3.35Å; K412-E414 PolarHBondContact O-N 2.91Å; K412-Q415 PolarHBondContact O-N 3.48Å; K412-M416 HydrophobicContact CB-CE 4.34Å; K412-M416 VanDerWaalsContact O-CG 3.24Å; K412-M416 WeakPolarHBondContact O-CG 3.35Å; K412-M416 PolarHBondContact O-N 2.9Å
413R87.6Confident78.7Confident82 Ų8274.5 Ų74.531%0.30938%0.379SS..Hα-helixtrans-58.7-47.1173.6-165.6177-175.7-163.8-0.9111.4E186 V188 D409 P410 Q415 M416 L417E186-R413 WeakPolarHBondContact OE2-CD 3.47Å; E186-R413 IonicContact OE2-CZ 2.6Å; E186-R413 IonicContact OE2-NE 2.79Å; E186-R413 IonicContact OE2-NH1 3.84Å; E186-R413 PolarHBondContact OE2-NH1 3.36Å; V188-R413 HydrophobicContact CG2-CG 4.15Å; D409-R413 PolarHBondContact O-N 3.25Å; P410-R413 WeakPolarHBondContact O-CB 3.32Å; P410-R413 PolarHBondContact O-N 3.08Å; R413-Q415 PolarHBondContact O-N 3.2Å; R413-M416 PolarHBondContact O-N 2.94Å; R413-L417 HydrophobicContact CG-CD1 4.19Å; R413-L417 WeakPolarHBondContact O-CG 3.43Å; R413-L417 PolarHBondContact O-N 3.32Å
414E86.4Confident77.9Confident135 Ų13575.5 Ų75.563%0.63139%0.386SS*.Hα-helixtrans-59.2-45.1174.9-75178.4-177.600111.6P410 K412 M416 L417 A418P410-E414 WeakPolarHBondContact O-CG 3.43Å; P410-E414 PolarHBondContact O-N 3.36Å; K412-E414 VanDerWaalsContact C-N 3.35Å; K412-E414 PolarHBondContact O-N 2.91Å; E414-M416 VanDerWaalsContact C-N 3.35Å; E414-M416 PolarHBondContact O-N 3.41Å; E414-L417 PolarHBondContact O-N 3.34Å; E414-A418 WeakPolarHBondContact O-CA 3.48Å; E414-A418 WeakPolarHBondContact O-CB 3.43Å; E414-A418 PolarHBondContact O-N 3.37Å
415Q83.6Confident77Confident117 Ų11779.7 Ų79.755%0.54741%0.408SS..Hα-helixtrans-61.2-41.5176.4-74.2170.212.200112.8R411 K412 R413 A418 S419R411-Q415 VanDerWaalsContact O-CG 3.28Å; R411-Q415 WeakPolarHBondContact O-CG 3.5Å; R411-Q415 PolarHBondContact O-N 3.36Å; R411-Q415 VanDerWaalsContact O-N 3.09Å; K412-Q415 PolarHBondContact O-N 3.48Å; R413-Q415 PolarHBondContact O-N 3.2Å; Q415-A418 PolarHBondContact O-N 3.33Å; Q415-S419 WeakPolarHBondContact O-CB 3.38Å; Q415-S419 PolarHBondContact O-N 3.26Å; Q415-S419 PolarHBondContact O-OG 3.07Å
416M77.9Confident75.9Confident28 Ų2880 Ų8014%0.13841%0.412CS..Hα-helixtrans-61.9-47.1176.4-68.4166.5-172.500110.4T163 V188 L322 P324 K412 R413 E414 S419T163-M416 HydrophobicContact CG2-CE 3.74Å; T163-M416 WeakPolarHBondContact O-CE 3.39Å; V188-M416 HydrophobicContact CG1-SD 4.21Å; V188-M416 HydrophobicContact CG2-SD 4.05Å; L322-M416 HydrophobicContact CD1-CE 3.91Å; L322-M416 HydrophobicContact CD1-SD 3.87Å; P324-M416 WeakPolarHBondContact CG-O 3.38Å; K412-M416 HydrophobicContact CB-CE 4.34Å; K412-M416 VanDerWaalsContact O-CG 3.24Å; K412-M416 WeakPolarHBondContact O-CG 3.35Å; K412-M416 PolarHBondContact O-N 2.9Å; R413-M416 PolarHBondContact O-N 2.94Å; E414-M416 VanDerWaalsContact C-N 3.35Å; E414-M416 PolarHBondContact O-N 3.41Å; M416-S419 PolarHBondContact O-OG 3.45Å
417L73.9Confident74.7Confident124 Ų12485 Ų8565%0.64944%0.437SS*.Hα-helixtrans-71-33.9-179.9-66.9173000113R413 E414R413-L417 HydrophobicContact CG-CD1 4.19Å; R413-L417 WeakPolarHBondContact O-CG 3.43Å; R413-L417 PolarHBondContact O-N 3.32Å; E414-L417 PolarHBondContact O-N 3.34Å
418A66.9Low73.2Confident72 Ų7290 Ų9060%0.59546%0.464SS*.Hα-helixtrans-85.1-21.7-173.400000113.2E414 Q415 P420E414-A418 WeakPolarHBondContact O-CA 3.48Å; E414-A418 WeakPolarHBondContact O-CB 3.43Å; E414-A418 PolarHBondContact O-N 3.37Å; Q415-A418 PolarHBondContact O-N 3.33Å; A418-P420 WeakPolarHBondContact O-CD 3.42Å
419S52.3Low71.7Confident51 Ų5196.4 Ų96.436%0.35750%0.497SS..  trans-66.1103.2-178.557.90000110.7Q415 M416Q415-S419 WeakPolarHBondContact O-CB 3.38Å; Q415-S419 PolarHBondContact O-N 3.26Å; Q415-S419 PolarHBondContact O-OG 3.07Å; M416-S419 PolarHBondContact O-OG 3.45Å
420P42.4Very low70.1Confident103 Ų103102.8 Ų102.867%0.66953%0.529SS*.  trans-79.1135.6162.86.218.5000105.5A418 Q422A418-P420 WeakPolarHBondContact O-CD 3.42Å; P420-Q422 PolarHBondContact O-N 3.13Å
421T40.8Very low68.3Low116 Ų116108.7 Ų108.771%0.71256%0.556SS**  trans-13.9120.8162.426.10000115.3
422Q29.3Very low66.3Low270 Ų270103.5 Ų103.5100%1.26255%0.55SS*.  trans-108.90142.4-83-168.2-2.300108.7P420P420-Q422 PolarHBondContact O-N 3.13Å

Retrieved 422 of 422 residues in 105.9 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).