PHB1_DROME Loading...

Prohibitin 1

Required for larval metabolism or for the progression of the larva into a pupa.

AlphaFold DB , UniProt , Accession P24156, Species DROME (Drosophila melanogaster, Fruit fly), Gene Phb1, Length 276 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M56.6Low72.4Confident187 Ų187119.9 Ų119.992%0.92162%0.62SS**  0-39.20-76.9-146.6-81.400113.9A3 Q4M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.12Å; M1-Q4 PolarHBondContact O-N 3.26Å
2A59.6Low73.3Confident69 Ų69122 Ų12257%0.5763%0.628SS**Hα-helixtrans-53.7-43178.200000114.1Q4 F5 F6A2-Q4 VanDerWaalsContact C-N 3.33Å; A2-Q4 PolarHBondContact O-N 3.28Å; A2-F5 PolarHBondContact O-N 3Å; A2-F6 VanDerWaalsContact O-CD2 3.25Å; A2-F6 WeakPolarHBondContact O-CD2 3.25Å; A2-F6 PolarHBondContact O-N 3.29Å; A2-F6 VanDerWaalsContact O-N 3.12Å
3A66.7Low74.1Confident80 Ų80115.8 Ų115.866%0.66161%0.613SS**Hα-helixtrans-60.3-33.1-178.800000114.9M1 N7M1-A3 VanDerWaalsContact C-N 3.34Å; M1-A3 PolarHBondContact O-N 3.12Å; A3-N7 WeakPolarHBondContact O-CB 3.46Å; A3-N7 PolarHBondContact O-N 3.1Å; A3-N7 VanDerWaalsContact O-N 3.08Å
4Q70.7Confident74.8Confident143 Ų143116 Ų11667%0.66861%0.613SS**Hα-helixtrans-76.3-34.8-179.5-72.8175.8-26.500112.4M1 A2 N7 R8M1-Q4 PolarHBondContact O-N 3.26Å; A2-Q4 VanDerWaalsContact C-N 3.33Å; A2-Q4 PolarHBondContact O-N 3.28Å; Q4-N7 PolarHBondContact O-N 3.27Å; Q4-R8 PolarHBondContact O-N 3.43Å; Q4-R8 VanDerWaalsContact O-N 3.1Å
5F69.7Low75.4Confident131 Ų131110.5 Ų110.558%0.57560%0.596SS**Hα-helixtrans-68.7-41.5173.5-79.7-80.3000111.6A2 N7 R8 I9A2-F5 PolarHBondContact O-N 3Å; F5-N7 VanDerWaalsContact C-N 3.32Å; F5-N7 PolarHBondContact O-N 3.42Å; F5-R8 PolarHBondContact O-N 3.08Å; F5-I9 WeakPolarHBondContact O-CG1 3.48Å; F5-I9 PolarHBondContact O-N 2.79Å
6F73.1Confident76.2Confident159 Ų159110.2 Ų110.270%0.69760%0.598SS**Hα-helixtrans-60.6-39.4172.2-83.3-73.2000112.3A2 G10A2-F6 VanDerWaalsContact O-CD2 3.25Å; A2-F6 WeakPolarHBondContact O-CD2 3.25Å; A2-F6 PolarHBondContact O-N 3.29Å; A2-F6 VanDerWaalsContact O-N 3.12Å; F6-G10 PolarHBondContact O-N 3.32Å
7N78.7Confident76.6Confident108 Ų108107.6 Ų107.658%0.57860%0.595SS**Hα-helixtrans-68.1-37.4178.3-146.58.9000112.4A3 Q4 F5 G10 Q11A3-N7 WeakPolarHBondContact O-CB 3.46Å; A3-N7 PolarHBondContact O-N 3.1Å; A3-N7 VanDerWaalsContact O-N 3.08Å; Q4-N7 PolarHBondContact O-N 3.27Å; F5-N7 VanDerWaalsContact C-N 3.32Å; F5-N7 PolarHBondContact O-N 3.42Å; N7-G10 PolarHBondContact O-N 3.43Å; N7-Q11 VanDerWaalsContact O-CG 3.31Å; N7-Q11 WeakPolarHBondContact O-CG 3.23Å; N7-Q11 PolarHBondContact O-N 3.36Å
8R78.5Confident77Confident169 Ų169106.9 Ų106.964%0.63860%0.595SS**Hα-helixtrans-69.9-42.5175.6-75.9-173.8-177.1167.41.5113.1Q4 F5 G10 Q11 M12Q4-R8 PolarHBondContact O-N 3.43Å; Q4-R8 VanDerWaalsContact O-N 3.1Å; F5-R8 PolarHBondContact O-N 3.08Å; R8-G10 VanDerWaalsContact C-N 3.29Å; R8-Q11 PolarHBondContact O-N 2.86Å; R8-M12 WeakPolarHBondContact O-CG 3.34Å; R8-M12 PolarHBondContact O-N 2.88Å
9I80.5Confident77.3Confident118 Ų118107.5 Ų107.561%0.60560%0.596SS**Hα-helixtrans-64.5-38.9173.6-66.2172.1000109.9F5 M12 G13F5-I9 WeakPolarHBondContact O-CG1 3.48Å; F5-I9 PolarHBondContact O-N 2.79Å; I9-M12 PolarHBondContact O-N 2.84Å; I9-G13 PolarHBondContact O-N 2.93Å
10G79.8Confident77.4Confident33 Ų33104.1 Ų104.134%0.3459%0.586SS.*Hα-helixtrans-59.5-45.1172.400000112.7F6 N7 R8 G13 L14F6-G10 PolarHBondContact O-N 3.32Å; N7-G10 PolarHBondContact O-N 3.43Å; R8-G10 VanDerWaalsContact C-N 3.29Å; G10-G13 PolarHBondContact O-N 3.48Å; G10-L14 WeakPolarHBondContact O-CB 3.46Å; G10-L14 VanDerWaalsContact O-CG 3.23Å; G10-L14 WeakPolarHBondContact O-CG 3.31Å; G10-L14 PolarHBondContact O-N 2.92Å
11Q82.7Confident77.6Confident122 Ų122101.1 Ų101.157%0.5758%0.578SS**Hα-helixtrans-64.7-42175-75.2175.4-5.700112.8N7 R8 L14 G15N7-Q11 VanDerWaalsContact O-CG 3.31Å; N7-Q11 WeakPolarHBondContact O-CG 3.23Å; N7-Q11 PolarHBondContact O-N 3.36Å; R8-Q11 PolarHBondContact O-N 2.86Å; Q11-L14 PolarHBondContact O-N 3.3Å; Q11-G15 PolarHBondContact O-N 3.27Å
12M83.2Confident78.7Confident145 Ų14596 Ų9671%0.71456%0.557SS**Hα-helixtrans-66-41.6175.5-73.1-176.817200111.7R8 I9 G15 V16R8-M12 WeakPolarHBondContact O-CG 3.34Å; R8-M12 PolarHBondContact O-N 2.88Å; I9-M12 PolarHBondContact O-N 2.84Å; M12-G15 PolarHBondContact O-N 3.45Å; M12-V16 WeakPolarHBondContact O-CG2 3.24Å; M12-V16 PolarHBondContact O-N 3.47Å
13G83.5Confident79.6Confident42 Ų4296.5 Ų96.543%0.43355%0.553SS.*Hα-helixtrans-63.4-42.6174.600000112.6I9 G10 V16 A17I9-G13 PolarHBondContact O-N 2.93Å; G10-G13 PolarHBondContact O-N 3.48Å; G13-V16 PolarHBondContact O-N 2.78Å; G13-A17 VanDerWaalsContact O-CB 3.24Å; G13-A17 WeakPolarHBondContact O-CB 3.41Å; G13-A17 PolarHBondContact O-N 3.39Å
14L84.2Confident80.1Confident118 Ų11898.5 Ų98.562%0.61855%0.553SS**Hα-helixtrans-62.7-42.3172-75.2168.7000111.4G10 Q11 A17 V18G10-L14 WeakPolarHBondContact O-CB 3.46Å; G10-L14 VanDerWaalsContact O-CG 3.23Å; G10-L14 WeakPolarHBondContact O-CG 3.31Å; G10-L14 PolarHBondContact O-N 2.92Å; Q11-L14 PolarHBondContact O-N 3.3Å; L14-A17 PolarHBondContact O-N 2.94Å; L14-V18 WeakPolarHBondContact O-CB 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 2.87Å
15G84.2Confident80.5Confident34 Ų3494.1 Ų94.135%0.35154%0.538SS..Hα-helixtrans-60.8-47.1176.800000112.7Q11 M12 V18 L19Q11-G15 PolarHBondContact O-N 3.27Å; M12-G15 PolarHBondContact O-N 3.45Å; G15-V18 PolarHBondContact O-N 2.86Å; G15-L19 WeakPolarHBondContact O-CB 3.22Å; G15-L19 VanDerWaalsContact O-CG 3.31Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 3.34Å
16V86.9Confident81Confident105 Ų10588.6 Ų88.664%0.63652%0.517SS*.Hα-helixtrans-66.7-39.2175.9174.90000111.4M12 G13 L19 G20M12-V16 WeakPolarHBondContact O-CG2 3.24Å; M12-V16 PolarHBondContact O-N 3.47Å; G13-V16 PolarHBondContact O-N 2.78Å; V16-L19 PolarHBondContact O-N 3.43Å; V16-G20 PolarHBondContact O-N 2.85Å
17A84.1Confident81.5Confident66 Ų6684 Ų8455%0.54550%0.499SS..Hα-helixtrans-64.1-41.5176.300000112G13 L14 G21G13-A17 VanDerWaalsContact O-CB 3.24Å; G13-A17 WeakPolarHBondContact O-CB 3.41Å; G13-A17 PolarHBondContact O-N 3.39Å; L14-A17 PolarHBondContact O-N 2.94Å; A17-G21 PolarHBondContact O-N 3.45Å
18V83.6Confident81.8Confident96 Ų9679.9 Ų79.958%0.58248%0.476SS*.Hα-helixtrans-64.5-47.5174.7171.60000110.3L14 G15 G21 V22L14-V18 WeakPolarHBondContact O-CB 3.31Å; L14-V18 WeakPolarHBondContact O-CG2 3.43Å; L14-V18 PolarHBondContact O-N 2.87Å; G15-V18 PolarHBondContact O-N 2.86Å; V18-G21 PolarHBondContact O-N 2.88Å; V18-V22 HydrophobicContact CG1-CG2 4.47Å; V18-V22 VanDerWaalsContact O-CG2 3.24Å; V18-V22 WeakPolarHBondContact O-CG2 3.46Å; V18-V22 PolarHBondContact O-N 3.49Å
19L81.5Confident82.2Confident118 Ų11876.8 Ų76.862%0.61847%0.472SS*.Hα-helixtrans-62.9-44.8178.1-72.2173.1000112.2G15 V16 G21 V22 V23G15-L19 WeakPolarHBondContact O-CB 3.22Å; G15-L19 VanDerWaalsContact O-CG 3.31Å; G15-L19 WeakPolarHBondContact O-CG 3.37Å; G15-L19 PolarHBondContact O-N 3.34Å; V16-L19 PolarHBondContact O-N 3.43Å; L19-G21 VanDerWaalsContact C-N 3.35Å; L19-G21 PolarHBondContact O-N 3.23Å; L19-V22 PolarHBondContact O-N 3.33Å; L19-V23 WeakPolarHBondContact O-CG2 3.27Å; L19-V23 PolarHBondContact O-N 2.74Å
20G81.1Confident82.6Confident39 Ų3971.4 Ų71.440%0.40244%0.444SS..Hα-helixtrans-62.3-41176.100000112.2V16 V23 N24V16-G20 PolarHBondContact O-N 2.85Å; G20-V23 PolarHBondContact O-N 2.88Å; G20-N24 VanDerWaalsContact O-CB 3.24Å; G20-N24 WeakPolarHBondContact O-CB 3.24Å; G20-N24 PolarHBondContact O-N 3.32Å
21G80.5Confident83Confident41 Ų4176.3 Ų76.342%0.42346%0.458SS..Hα-helixtrans-64.3-38.2173.500000113A17 V18 L19 S25A17-G21 PolarHBondContact O-N 3.45Å; V18-G21 PolarHBondContact O-N 2.88Å; L19-G21 VanDerWaalsContact C-N 3.35Å; L19-G21 PolarHBondContact O-N 3.23Å; G21-S25 VanDerWaalsContact O-CB 3.27Å; G21-S25 WeakPolarHBondContact O-CB 3.37Å; G21-S25 PolarHBondContact O-N 2.93Å; G21-S25 PolarHBondContact O-OG 2.89Å
22V79.9Confident83.3Confident79 Ų7972.1 Ų72.148%0.47945%0.448SS..Hα-helixtrans-68.9-43.1175.5173.40000111.4V18 L19 S25 A26V18-V22 HydrophobicContact CG1-CG2 4.47Å; V18-V22 VanDerWaalsContact O-CG2 3.24Å; V18-V22 WeakPolarHBondContact O-CG2 3.46Å; V18-V22 PolarHBondContact O-N 3.49Å; L19-V22 PolarHBondContact O-N 3.33Å; V22-S25 WeakPolarHBondContact CA-OG 3.24Å; V22-S25 PolarHBondContact O-N 3.46Å; V22-S25 PolarHBondContact O-OG 2.87Å; V22-A26 WeakPolarHBondContact O-CB 3.29Å; V22-A26 PolarHBondContact O-N 3.15Å
23V78.9Confident83.6Confident81 Ų8166.2 Ų66.249%0.49143%0.425SS..Hα-helixtrans-66.8-43.9177.4174.10000111L19 G20 S25 A26 L27L19-V23 WeakPolarHBondContact O-CG2 3.27Å; L19-V23 PolarHBondContact O-N 2.74Å; G20-V23 PolarHBondContact O-N 2.88Å; V23-S25 PolarHBondContact O-N 3.41Å; V23-A26 PolarHBondContact O-N 3.39Å; V23-A26 VanDerWaalsContact O-N 3.15Å; V23-L27 HydrophobicContact CG1-CD1 4.42Å; V23-L27 WeakPolarHBondContact O-CG 3.26Å; V23-L27 PolarHBondContact O-N 2.96Å
24N77.5Confident84Confident122 Ų12266.2 Ų66.265%0.65241%0.413SS*.Hα-helixtrans-64.4-39.9177.4-178-104.8000111.8G20 A26 L27G20-N24 VanDerWaalsContact O-CB 3.24Å; G20-N24 WeakPolarHBondContact O-CB 3.24Å; G20-N24 PolarHBondContact O-N 3.32Å; N24-A26 VanDerWaalsContact C-N 3.26Å; N24-A26 PolarHBondContact O-N 3.5Å; N24-L27 PolarHBondContact O-N 3.03Å
25S77.5Confident84.3Confident51 Ų5163.9 Ų63.936%0.35740%0.396SS..Hα-helixtrans-72.3-17.5174.357.90000113.9G21 V22 V23 F57G21-S25 VanDerWaalsContact O-CB 3.27Å; G21-S25 WeakPolarHBondContact O-CB 3.37Å; G21-S25 PolarHBondContact O-N 2.93Å; G21-S25 PolarHBondContact O-OG 2.89Å; V22-S25 WeakPolarHBondContact CA-OG 3.24Å; V22-S25 PolarHBondContact O-N 3.46Å; V22-S25 PolarHBondContact O-OG 2.87Å; V23-S25 PolarHBondContact O-N 3.41Å; S25-F57 VanDerWaalsContact O-CE1 3.26Å; S25-F57 WeakPolarHBondContact O-CE1 3.48Å; S25-F57 VanDerWaalsContact O-CZ 3.29Å; S25-F57 WeakPolarHBondContact O-CZ 3.2Å
26A80.3Confident84.5Confident15 Ų1562.2 Ų62.212%0.12438%0.379CS..THydrogen-bonded Turntrans-87.9-4.617600000113.8V22 V23 N24 F56 F57 P59V22-A26 WeakPolarHBondContact O-CB 3.29Å; V22-A26 PolarHBondContact O-N 3.15Å; V23-A26 PolarHBondContact O-N 3.39Å; V23-A26 VanDerWaalsContact O-N 3.15Å; N24-A26 VanDerWaalsContact C-N 3.26Å; N24-A26 PolarHBondContact O-N 3.5Å; A26-F56 CarbonylContact O-C 3.55Å; A26-F56 VanDerWaalsContact O-CA 3.29Å; A26-F56 WeakPolarHBondContact O-CA 3.35Å; A26-F57 VanDerWaalsContact CA-O 3.27Å; A26-F57 WeakPolarHBondContact CA-O 3.46Å; A26-F57 VanDerWaalsContact CB-O 3.24Å; A26-F57 WeakPolarHBondContact CB-O 3.44Å; A26-F57 VanDerWaalsContact O-CD1 3.28Å; A26-F57 WeakPolarHBondContact O-CD1 3.38Å; A26-F57 PolarHBondContact O-N 3.44Å; A26-P59 HydrophobicContact CB-CG 4.4Å
27L84.7Confident84.7Confident63 Ų6357.2 Ų57.233%0.3335%0.349SS..EExtended strand (participates in β ladder)trans-97.9133.9178.3-75.9168000110.4V23 N24 T54 F56V23-L27 HydrophobicContact CG1-CD1 4.42Å; V23-L27 WeakPolarHBondContact O-CG 3.26Å; V23-L27 PolarHBondContact O-N 2.96Å; N24-L27 PolarHBondContact O-N 3.03Å; L27-T54 HydrophobicContact CD2-CG2 3.7Å; L27-F56 HydrophobicContact CD1-CE1 4.46Å; L27-F56 HydrophobicContact CD2-CD1 3.5Å; L27-F56 HydrophobicContact CD2-CD2 4.31Å; L27-F56 HydrophobicContact CD2-CE1 3.2Å; L27-F56 HydrophobicContact CD2-CE2 4.04Å; L27-F56 HydrophobicContact CD2-CG 4.07Å; L27-F56 HydrophobicContact CD2-CZ 3.5Å; L27-F56 VanDerWaalsContact CD2-CZ 3.5Å; L27-F56 HydrophobicContact CG-CD1 4.08Å; L27-F56 HydrophobicContact CG-CE1 3.82Å; L27-F56 HydrophobicContact CG-CZ 4.49Å
28Y84.7Confident84.9Confident20 Ų2055 Ų558%0.07833%0.328CS..EExtended strand (participates in β ladder)trans-134.9147.9168.476.2-74.4000110.5V30 A36 V50 T54 H55 F57 P64Y28-V30 HydrophobicContact CD2-CG2 3.89Å; Y28-V30 HydrophobicContact CE2-CG2 3.42Å; Y28-V30 VanDerWaalsContact CE2-CG2 3.42Å; Y28-A36 HydrophobicContact CE2-CB 3.82Å; Y28-V50 WeakPolarHBondContact OH-CG1 3.49Å; Y28-T54 WeakPolarHBondContact O-CA 3.46Å; Y28-H55 HydrophobicContact CD1-CB 4.02Å; Y28-H55 WeakPolarHBondContact CD1-O 3.32Å; Y28-H55 HydrophobicContact CE1-CB 3.38Å; Y28-H55 HydrophobicContact CE2-CB 4.25Å; Y28-H55 PolarHBondContact N-O 2.83Å; Y28-H55 PolarHBondContact O-N 2.98Å; Y28-F57 HydrophobicContact CD1-CB 4.02Å; Y28-F57 AromaticContact CD1-CD1 3.45Å; Y28-F57 HydrophobicContact CD1-CD1 3.45Å; Y28-F57 VanDerWaalsContact CD1-CD1 3.45Å; Y28-F57 HydrophobicContact CD1-CE1 4.22Å; Y28-F57 HydrophobicContact CD1-CG 4.03Å; Y28-F57 HydrophobicContact CE1-CB 3.94Å; Y28-F57 HydrophobicContact CE1-CD1 4.25Å; Y28-F57 HydrophobicContact CE1-CG 4.42Å; Y28-F57 HydrophobicContact CG-CD1 4.1Å; Y28-F57 HydrophobicContact CG-CE1 4.46Å; Y28-P64 HydrophobicContact CD1-CG 4.39Å; Y28-P64 HydrophobicContact CD2-CB 3.87Å; Y28-P64 HydrophobicContact CD2-CG 4Å; Y28-P64 HydrophobicContact CE1-CB 4.46Å; Y28-P64 HydrophobicContact CE2-CB 3.71Å; Y28-P64 HydrophobicContact CE2-CG 4.32Å; Y28-P64 HydrophobicContact CG-CB 4.31Å; Y28-P64 HydrophobicContact CG-CG 4.02Å
29N87.5Confident85.1Confident104 Ų10453.6 Ų53.656%0.55631%0.314SS*.EExtended strand (participates in β ladder)trans-107.4133.5178.3-69.9-4.2000109.5T54N29-T54 VanDerWaalsContact OD1-CB 3.29Å; N29-T54 WeakPolarHBondContact OD1-CB 3.16Å; N29-T54 VanDerWaalsContact OD1-CG2 3.24Å; N29-T54 WeakPolarHBondContact OD1-CG2 3.4Å; N29-T54 PolarHBondContact OD1-OG1 2.88Å
30V88.5Confident85.3Confident5 Ų548.6 Ų48.63%0.0329%0.288CS..EExtended strand (participates in β ladder)trans-104116.4168.7-176.20000107.6Y28 H34 A36 G51 G53Y28-V30 HydrophobicContact CD2-CG2 3.89Å; Y28-V30 HydrophobicContact CE2-CG2 3.42Å; Y28-V30 VanDerWaalsContact CE2-CG2 3.42Å; V30-H34 HydrophobicContact CG1-CB 4.01Å; V30-H34 WeakPolarHBondContact CG1-O 3.29Å; V30-A36 HydrophobicContact CG2-CB 3.79Å; V30-G51 WeakPolarHBondContact CB-O 3.26Å; V30-G51 WeakPolarHBondContact CG1-O 3.46Å; V30-G53 PolarHBondContact N-O 2.95Å; V30-G53 PolarHBondContact O-N 2.82Å
31E88.6Confident85.4Confident136 Ų13653 Ų5364%0.63629%0.293SS*.PPolyproline II helixtrans-71.7158.9178.4-64.5-174.6-179.700112.1G33 H34E31-G33 PolarHBondContact O-N 2.68Å; E31-H34 WeakPolarHBondContact O-CB 3.29Å; E31-H34 PolarHBondContact O-N 3.2Å
32G88Confident85.6Confident34 Ų3459.4 Ų59.435%0.35131%0.309SS..THydrogen-bonded Turntrans-58.3135.4176.600000112.3H34 E52 R70G32-H34 VanDerWaalsContact C-N 3.27Å; G32-H34 PolarHBondContact O-N 2.84Å; G32-H34 PolarHBondContact O-ND1 2.83Å; G32-E52 WeakPolarHBondContact CA-OE2 3.34Å; G32-R70 PolarHBondContact O-NH2 2.95Å
33G89Confident85.7Confident22 Ų2261.5 Ų61.523%0.22732%0.322CS..THydrogen-bonded Turntrans76.69.8-174.700000114.8E31 I69E31-G33 PolarHBondContact O-N 2.68Å; G33-I69 VanDerWaalsContact C-CG1 3.49Å; G33-I69 WeakPolarHBondContact O-CG1 3.42Å; G33-I69 PolarHBondContact O-N 3.44Å
34H91.8Very high86.1Confident42 Ų4258.8 Ų58.819%0.19431%0.31CS..EExtended strand (participates in β ladder)trans-113.8157.7167.6-6370.6000110.3V30 E31 G32 I66 F67V30-H34 HydrophobicContact CG1-CB 4.01Å; V30-H34 WeakPolarHBondContact CG1-O 3.29Å; E31-H34 WeakPolarHBondContact O-CB 3.29Å; E31-H34 PolarHBondContact O-N 3.2Å; G32-H34 VanDerWaalsContact C-N 3.27Å; G32-H34 PolarHBondContact O-N 2.84Å; G32-H34 PolarHBondContact O-ND1 2.83Å; H34-I66 HydrophobicContact CB-CG2 3.65Å; H34-F67 CarbonylContact C-O 3.48Å; H34-F67 WeakPolarHBondContact CA-O 3.24Å; H34-F67 WeakPolarHBondContact CB-O 3.49Å
35R91Very high86.4Confident68 Ų6855.2 Ų55.226%0.25729%0.291SS..EExtended strand (participates in β ladder)trans-134.3143.8169.1-74.8-154.5-174.5179.62110.3V49 V50 F67 I69 P100 D101 L103R35-V49 HydrophobicContact CB-CG1 3.65Å; R35-V49 VanDerWaalsContact CD-CG1 3.44Å; R35-V49 HydrophobicContact CG-CG1 4.15Å; R35-V50 WeakPolarHBondContact CA-O 3.39Å; R35-F67 PolarHBondContact N-O 2.78Å; R35-F67 PolarHBondContact O-N 2.97Å; R35-I69 HydrophobicContact CB-CG2 4.11Å; R35-I69 HydrophobicContact CG-CD1 4.12Å; R35-I69 HydrophobicContact CG-CG2 4.08Å; R35-P100 PolarHBondContact NH1-O 2.83Å; R35-D101 IonicContact NH1-OD1 2.94Å; R35-D101 PolarHBondContact NH1-OD1 3.13Å; R35-L103 HydrophobicContact CB-CD1 3.66Å
36A89.4Confident86.8Confident0 Ų056.4 Ų56.40%029%0.29CS..EExtended strand (participates in β ladder)trans-105.6132.5179.800000111.6Y28 V30 V50 I65 I66Y28-A36 HydrophobicContact CE2-CB 3.82Å; V30-A36 HydrophobicContact CG2-CB 3.79Å; A36-V50 HydrophobicContact CB-CB 4.3Å; A36-V50 PolarHBondContact N-O 3.21Å; A36-V50 PolarHBondContact O-N 2.84Å; A36-I65 CarbonylContact C-O 3.52Å; A36-I65 WeakPolarHBondContact CA-O 3.19Å; A36-I66 HydrophobicContact CB-CG1 4.41Å
37V89.7Confident86.9Confident0 Ų062.7 Ų62.70%032%0.316CS..EExtended strand (participates in β ladder)trans-99.7130.7166.8178.80000107.9I45 I65 F67 L103 P104V37-I45 HydrophobicContact CG1-CG2 3.51Å; V37-I65 PolarHBondContact N-O 3.39Å; V37-I65 PolarHBondContact O-N 3.05Å; V37-F67 HydrophobicContact CB-CD2 4.41Å; V37-F67 HydrophobicContact CB-CE2 4.03Å; V37-F67 HydrophobicContact CG2-CD2 3.87Å; V37-F67 HydrophobicContact CG2-CE2 3.76Å; V37-L103 HydrophobicContact CG2-CB 3.59Å; V37-P104 HydrophobicContact CG1-CB 4.4Å; V37-P104 HydrophobicContact CG1-CG 4.37Å; V37-P104 HydrophobicContact CG2-CG 4.42Å
38I88.6Confident87Confident20 Ų2065.9 Ų65.910%0.10333%0.334CS..EExtended strand (participates in β ladder)trans-93.4120.7-179.7-58176000109.5D40 K46 V50 Q62I38-D40 WeakPolarHBondContact CG2-OD1 3.27Å; I38-K46 PolarHBondContact O-N 3.15Å; I38-V50 HydrophobicContact CD1-CG2 3.73Å; I38-V50 HydrophobicContact CG1-CG2 4.13Å; I38-Q62 HydrophobicContact CG2-CB 3.96Å; I38-Q62 HydrophobicContact CG2-CG 4.37Å
39F87.5Confident87.2Confident66 Ų6666.5 Ų66.529%0.28934%0.34SS..EExtended strand (participates in β ladder)trans-95.1113.8169.1-179.6-93.9000110.4R41 I45 Q62 R63 I65F39-R41 HydrophobicContact CE1-CG 4.48Å; F39-I45 HydrophobicContact CD2-CG1 3.7Å; F39-I45 HydrophobicContact CE2-CG1 4.28Å; F39-Q62 CarbonylContact O-C 3.5Å; F39-Q62 VanDerWaalsContact O-CA 3.32Å; F39-Q62 WeakPolarHBondContact O-CA 3.33Å; F39-R63 PolarHBondContact N-O 2.94Å; F39-R63 PolarHBondContact O-N 2.83Å; F39-I65 HydrophobicContact CB-CD1 4.35Å
40D87.5Confident87.2Confident13 Ų1362.6 Ų62.67%0.0732%0.32CS..EExtended strand (participates in β ladder)trans-92.5130.3171.8-75.89.5000110.1I38 F42 G44 K46 Q62I38-D40 WeakPolarHBondContact CG2-OD1 3.27Å; D40-F42 PolarHBondContact O-N 2.87Å; D40-G44 WeakPolarHBondContact CB-O 3.27Å; D40-G44 PolarHBondContact N-O 2.97Å; D40-G44 VanDerWaalsContact O-CA 3.29Å; D40-G44 WeakPolarHBondContact O-CA 3.24Å; D40-G44 PolarHBondContact O-N 3.23Å; D40-K46 VanDerWaalsContact OD1-CE 3.3Å; D40-K46 WeakPolarHBondContact OD1-CE 3.28Å; D40-K46 IonicContact OD1-NZ 3.89Å; D40-K46 WeakPolarHBondContact OD2-CE 3.41Å; D40-K46 IonicContact OD2-NZ 3.15Å; D40-K46 PolarHBondContact OD2-NZ 2.91Å; D40-K46 VanDerWaalsContact OD2-NZ 3.15Å; D40-Q62 WeakPolarHBondContact OD1-CG 3.14Å; D40-Q62 PolarHBondContact OD1-NE2 2.86Å
41R83Confident87.3Confident132 Ų13263.9 Ų63.950%0.49833%0.333SS..THydrogen-bonded Turntrans-61.7-25.2178.6-69.8-168.7-167.5-170.115.3114.3F39 W60 V61F39-R41 HydrophobicContact CE1-CG 4.48Å; R41-W60 WeakPolarHBondContact CD-O 3.4Å; R41-W60 PolarHBondContact NE-O 3.49Å; R41-W60 PolarHBondContact NH2-O 3.06Å; R41-V61 WeakPolarHBondContact CG-O 3.19Å; R41-V61 PolarHBondContact N-O 2.87Å
42F84.9Confident87.3Confident174 Ų17463.9 Ų63.976%0.76333%0.334SS*.THydrogen-bonded Turntrans-99.8-38.4-176.4-61.5-68.9000113.6D40 V61D40-F42 PolarHBondContact O-N 2.87Å; F42-V61 HydrophobicContact CD2-CG1 3.62Å; F42-V61 HydrophobicContact CE2-CB 4.5Å; F42-V61 HydrophobicContact CE2-CG1 3.81Å; F42-V61 HydrophobicContact CE2-CG2 4.02Å
43T81.6Confident87.4Confident123 Ų12363.9 Ų63.976%0.75533%0.334SS*.THydrogen-bonded Turntrans-102.8-14.4-173.8-49.20000112.3
44G86.3Confident87.4Confident24 Ų2466.9 Ų66.925%0.24735%0.348CS..EExtended strand (participates in β ladder)trans88.4-151.2-174.700000112.4D40D40-G44 WeakPolarHBondContact CB-O 3.27Å; D40-G44 PolarHBondContact N-O 2.97Å; D40-G44 VanDerWaalsContact O-CA 3.29Å; D40-G44 WeakPolarHBondContact O-CA 3.24Å; D40-G44 PolarHBondContact O-N 3.23Å
45I85.3Confident87.1Confident47 Ų4767.7 Ų67.724%0.24135%0.351CS..EExtended strand (participates in β ladder)trans-78.5128.4-175.8-60.9155.9000109.2V37 F39 P104 Y107 T108V37-I45 HydrophobicContact CG1-CG2 3.51Å; F39-I45 HydrophobicContact CD2-CG1 3.7Å; F39-I45 HydrophobicContact CE2-CG1 4.28Å; I45-P104 HydrophobicContact CG2-CB 3.89Å; I45-Y107 HydrophobicContact CD1-CD1 3.5Å; I45-Y107 VanDerWaalsContact CD1-CD1 3.5Å; I45-Y107 HydrophobicContact CD1-CE1 3.89Å; I45-Y107 HydrophobicContact CG1-CD1 3.95Å; I45-Y107 HydrophobicContact CG1-CE1 4.15Å; I45-T108 HydrophobicContact CD1-CG2 4.48Å; I45-T108 WeakPolarHBondContact CD1-OG1 3.46Å
46K84.4Confident86.9Confident77 Ų7771.4 Ų71.434%0.33537%0.369SS..EExtended strand (participates in β ladder)trans-77.8139172.6-63.8-164.2-174.6-1730110.8I38 D40 N48 Q62I38-K46 PolarHBondContact O-N 3.15Å; D40-K46 VanDerWaalsContact OD1-CE 3.3Å; D40-K46 WeakPolarHBondContact OD1-CE 3.28Å; D40-K46 IonicContact OD1-NZ 3.89Å; D40-K46 WeakPolarHBondContact OD2-CE 3.41Å; D40-K46 IonicContact OD2-NZ 3.15Å; D40-K46 PolarHBondContact OD2-NZ 2.91Å; D40-K46 VanDerWaalsContact OD2-NZ 3.15Å; K46-N48 PolarHBondContact O-N 2.77Å; K46-Q62 VanDerWaalsContact NZ-NE2 3.18Å
47E83.4Confident86.7Confident147 Ų14773.1 Ų73.169%0.68738%0.377SS*.EExtended strand (participates in β ladder)trans-68-23.5174.6-66.3-70.3176.700112.8V49 P104E47-V49 PolarHBondContact O-N 2.83Å; E47-P104 WeakPolarHBondContact O-CG 3.25Å
48N86.1Confident86.5Confident130 Ų13077.6 Ų77.670%0.69540%0.4SS*.EExtended strand (participates in β ladder)trans-78.3121-179.4-68.2-20.1000110.9K46K46-N48 PolarHBondContact O-N 2.77Å
49V88.2Confident86Confident33 Ų3378.5 Ų78.520%0.241%0.407CS..EExtended strand (participates in β ladder)trans-91.5128.9176-173.80000109.9R35 E47 P100 L103 P104R35-V49 HydrophobicContact CB-CG1 3.65Å; R35-V49 VanDerWaalsContact CD-CG1 3.44Å; R35-V49 HydrophobicContact CG-CG1 4.15Å; E47-V49 PolarHBondContact O-N 2.83Å; V49-P100 WeakPolarHBondContact CG2-O 3.3Å; V49-L103 HydrophobicContact CG1-CD1 3.96Å; V49-L103 HydrophobicContact CG2-CB 4.33Å; V49-P104 HydrophobicContact CG2-CG 3.72Å
50V89.2Confident85.7Confident22 Ų2284.6 Ų84.613%0.13343%0.428CS..EExtended strand (participates in β ladder)trans-89.7130.5-179.3-176.90000110.1Y28 R35 A36 I38 H55Y28-V50 WeakPolarHBondContact OH-CG1 3.49Å; R35-V50 WeakPolarHBondContact CA-O 3.39Å; A36-V50 HydrophobicContact CB-CB 4.3Å; A36-V50 PolarHBondContact N-O 3.21Å; A36-V50 PolarHBondContact O-N 2.84Å; I38-V50 HydrophobicContact CD1-CG2 3.73Å; I38-V50 HydrophobicContact CG1-CG2 4.13Å; V50-H55 HydrophobicContact CG1-CB 4.21Å; V50-H55 WeakPolarHBondContact CG1-CD2 3.45Å; V50-H55 WeakPolarHBondContact CG1-CE1 2.72Å; V50-H55 VanDerWaalsContact CG1-CG 3.41Å; V50-H55 WeakPolarHBondContact CG1-ND1 3.33Å; V50-H55 VanDerWaalsContact CG1-NE2 3.25Å; V50-H55 WeakPolarHBondContact CG1-NE2 3.3Å
51G89Confident85.6Confident31 Ų3185.9 Ų85.932%0.3244%0.437SS..  trans-79-168.5179.100000114V30 H55V30-G51 WeakPolarHBondContact CB-O 3.26Å; V30-G51 WeakPolarHBondContact CG1-O 3.46Å; G51-H55 PolarHBondContact O-CE1 3.18Å; G51-H55 VanDerWaalsContact O-CE1 3.23Å
52E88.8Confident85.8Confident137 Ų13780.6 Ų80.664%0.6442%0.417SS*.SBendtrans-66.9148.5177.261.8-172.8-161.800112.6G32G32-E52 WeakPolarHBondContact CA-OE2 3.34Å
53G90.5Very high85.9Confident34 Ų3479 Ų7935%0.35141%0.407SS..EExtended strand (participates in β ladder)trans119178.1179.500000114.5V30 H55V30-G53 PolarHBondContact N-O 2.95Å; V30-G53 PolarHBondContact O-N 2.82Å; G53-H55 PolarHBondContact O-ND1 2.91Å
54T88.3Confident86.2Confident85 Ų8574.9 Ų74.952%0.52138%0.382SS..EExtended strand (participates in β ladder)trans-83.1121178.2-600000110.6L27 Y28 N29L27-T54 HydrophobicContact CD2-CG2 3.7Å; Y28-T54 WeakPolarHBondContact O-CA 3.46Å; N29-T54 VanDerWaalsContact OD1-CB 3.29Å; N29-T54 WeakPolarHBondContact OD1-CB 3.16Å; N29-T54 VanDerWaalsContact OD1-CG2 3.24Å; N29-T54 WeakPolarHBondContact OD1-CG2 3.4Å; N29-T54 PolarHBondContact OD1-OG1 2.88Å
55H87.4Confident86.4Confident58 Ų5874.9 Ų74.927%0.26938%0.376SS..EExtended strand (participates in β ladder)trans-124.7158-177-6788.1000111Y28 V50 G51 G53Y28-H55 HydrophobicContact CD1-CB 4.02Å; Y28-H55 WeakPolarHBondContact CD1-O 3.32Å; Y28-H55 HydrophobicContact CE1-CB 3.38Å; Y28-H55 HydrophobicContact CE2-CB 4.25Å; Y28-H55 PolarHBondContact N-O 2.83Å; Y28-H55 PolarHBondContact O-N 2.98Å; V50-H55 HydrophobicContact CG1-CB 4.21Å; V50-H55 WeakPolarHBondContact CG1-CD2 3.45Å; V50-H55 WeakPolarHBondContact CG1-CE1 2.72Å; V50-H55 VanDerWaalsContact CG1-CG 3.41Å; V50-H55 WeakPolarHBondContact CG1-ND1 3.33Å; V50-H55 VanDerWaalsContact CG1-NE2 3.25Å; V50-H55 WeakPolarHBondContact CG1-NE2 3.3Å; G51-H55 PolarHBondContact O-CE1 3.18Å; G51-H55 VanDerWaalsContact O-CE1 3.23Å; G53-H55 PolarHBondContact O-ND1 2.91Å
56F86Confident86.6Confident146 Ų14676.4 Ų76.464%0.6438%0.384SS*.EExtended strand (participates in β ladder)trans-100.9137.3178.1-66.8-90.5000110.8A26 L27A26-F56 CarbonylContact O-C 3.55Å; A26-F56 VanDerWaalsContact O-CA 3.29Å; A26-F56 WeakPolarHBondContact O-CA 3.35Å; L27-F56 HydrophobicContact CD1-CE1 4.46Å; L27-F56 HydrophobicContact CD2-CD1 3.5Å; L27-F56 HydrophobicContact CD2-CD2 4.31Å; L27-F56 HydrophobicContact CD2-CE1 3.2Å; L27-F56 HydrophobicContact CD2-CE2 4.04Å; L27-F56 HydrophobicContact CD2-CG 4.07Å; L27-F56 HydrophobicContact CD2-CZ 3.5Å; L27-F56 VanDerWaalsContact CD2-CZ 3.5Å; L27-F56 HydrophobicContact CG-CD1 4.08Å; L27-F56 HydrophobicContact CG-CE1 3.82Å; L27-F56 HydrophobicContact CG-CZ 4.49Å
57F85.1Confident86.9Confident36 Ų3673 Ų7316%0.15837%0.369CS..  trans-137.8159.1172.978.7-70.2000110.5S25 A26 Y28 P59 Q62 P64S25-F57 VanDerWaalsContact O-CE1 3.26Å; S25-F57 WeakPolarHBondContact O-CE1 3.48Å; S25-F57 VanDerWaalsContact O-CZ 3.29Å; S25-F57 WeakPolarHBondContact O-CZ 3.2Å; A26-F57 VanDerWaalsContact CA-O 3.27Å; A26-F57 WeakPolarHBondContact CA-O 3.46Å; A26-F57 VanDerWaalsContact CB-O 3.24Å; A26-F57 WeakPolarHBondContact CB-O 3.44Å; A26-F57 VanDerWaalsContact O-CD1 3.28Å; A26-F57 WeakPolarHBondContact O-CD1 3.38Å; A26-F57 PolarHBondContact O-N 3.44Å; Y28-F57 HydrophobicContact CD1-CB 4.02Å; Y28-F57 AromaticContact CD1-CD1 3.45Å; Y28-F57 HydrophobicContact CD1-CD1 3.45Å; Y28-F57 VanDerWaalsContact CD1-CD1 3.45Å; Y28-F57 HydrophobicContact CD1-CE1 4.22Å; Y28-F57 HydrophobicContact CD1-CG 4.03Å; Y28-F57 HydrophobicContact CE1-CB 3.94Å; Y28-F57 HydrophobicContact CE1-CD1 4.25Å; Y28-F57 HydrophobicContact CE1-CG 4.42Å; Y28-F57 HydrophobicContact CG-CD1 4.1Å; Y28-F57 HydrophobicContact CG-CE1 4.46Å; F57-P59 HydrophobicContact CE2-CB 4.3Å; F57-P59 HydrophobicContact CZ-CB 4.45Å; F57-P59 VanDerWaalsContact O-CD 3.27Å; F57-P59 WeakPolarHBondContact O-CD 3.29Å; F57-Q62 HydrophobicContact CB-CB 4.42Å; F57-Q62 HydrophobicContact CD2-CB 4.44Å; F57-Q62 WeakPolarHBondContact CD2-O 3.44Å; F57-P64 HydrophobicContact CD2-CG 4.34Å; F57-P64 HydrophobicContact CE2-CG 4.45Å; F57-P64 HydrophobicContact CG-CG 4.41Å
58I85.3Confident87.2Confident95 Ų9567.9 Ų67.949%0.48735%0.346SS..  trans-88.3111.9176.9-56.1171.3000109.5W60 V61 Q62I58-W60 PolarHBondContact O-N 3.47Å; I58-V61 HydrophobicContact CB-CB 4.26Å; I58-V61 HydrophobicContact CG2-CB 4.03Å; I58-V61 HydrophobicContact CG2-CG2 3.94Å; I58-V61 PolarHBondContact O-N 2.8Å; I58-Q62 HydrophobicContact CB-CG 4.16Å; I58-Q62 VanDerWaalsContact N-OE1 3.16Å; I58-Q62 PolarHBondContact O-N 2.79Å
59P79.1Confident87.5Confident39 Ų3963.4 Ų63.425%0.25332%0.322SS..THydrogen-bonded Turntrans-63.84.6-16617.3-27.8000117.9A26 F57A26-P59 HydrophobicContact CB-CG 4.4Å; F57-P59 HydrophobicContact CE2-CB 4.3Å; F57-P59 HydrophobicContact CZ-CB 4.45Å; F57-P59 VanDerWaalsContact O-CD 3.27Å; F57-P59 WeakPolarHBondContact O-CD 3.29Å
60W81Confident87.7Confident193 Ų19368.1 Ų68.173%0.73134%0.336SS*.THydrogen-bonded Turntrans-130.2-31.1179.9-60.877.5000112.7R41 I58R41-W60 WeakPolarHBondContact CD-O 3.4Å; R41-W60 PolarHBondContact NE-O 3.49Å; R41-W60 PolarHBondContact NH2-O 3.06Å; I58-W60 PolarHBondContact O-N 3.47Å
61V85.2Confident87.9Confident40 Ų4070 Ų7024%0.24235%0.35CS..THydrogen-bonded Turntrans-92.8-35.3-176.9-179.80000110.9R41 F42 I58R41-V61 WeakPolarHBondContact CG-O 3.19Å; R41-V61 PolarHBondContact N-O 2.87Å; F42-V61 HydrophobicContact CD2-CG1 3.62Å; F42-V61 HydrophobicContact CE2-CB 4.5Å; F42-V61 HydrophobicContact CE2-CG1 3.81Å; F42-V61 HydrophobicContact CE2-CG2 4.02Å; I58-V61 HydrophobicContact CB-CB 4.26Å; I58-V61 HydrophobicContact CG2-CB 4.03Å; I58-V61 HydrophobicContact CG2-CG2 3.94Å; I58-V61 PolarHBondContact O-N 2.8Å
62Q87Confident88.1Confident21 Ų2171.4 Ų71.410%0.09835%0.348CS..EExtended strand (participates in β ladder)trans-116143-173.4-51.3-168.8-6200110.2I38 F39 D40 K46 F57 I58I38-Q62 HydrophobicContact CG2-CB 3.96Å; I38-Q62 HydrophobicContact CG2-CG 4.37Å; F39-Q62 CarbonylContact O-C 3.5Å; F39-Q62 VanDerWaalsContact O-CA 3.32Å; F39-Q62 WeakPolarHBondContact O-CA 3.33Å; D40-Q62 WeakPolarHBondContact OD1-CG 3.14Å; D40-Q62 PolarHBondContact OD1-NE2 2.86Å; K46-Q62 VanDerWaalsContact NZ-NE2 3.18Å; F57-Q62 HydrophobicContact CB-CB 4.42Å; F57-Q62 HydrophobicContact CD2-CB 4.44Å; F57-Q62 WeakPolarHBondContact CD2-O 3.44Å; I58-Q62 HydrophobicContact CB-CG 4.16Å; I58-Q62 VanDerWaalsContact N-OE1 3.16Å; I58-Q62 PolarHBondContact O-N 2.79Å
63R87Confident88.3Confident142 Ų14268.8 Ų68.854%0.53634%0.343SS..EExtended strand (participates in β ladder)trans-127.7115.3171.4-69.7-176.4178.5166.6-0.7108.8F39F39-R63 PolarHBondContact N-O 2.94Å; F39-R63 PolarHBondContact O-N 2.83Å
64P88.6Confident88.4Confident35 Ų3570.9 Ų70.923%0.22734%0.34CS..EExtended strand (participates in β ladder)trans-74.3129.617229.6-31.6000109.5Y28 F57Y28-P64 HydrophobicContact CD1-CG 4.39Å; Y28-P64 HydrophobicContact CD2-CB 3.87Å; Y28-P64 HydrophobicContact CD2-CG 4Å; Y28-P64 HydrophobicContact CE1-CB 4.46Å; Y28-P64 HydrophobicContact CE2-CB 3.71Å; Y28-P64 HydrophobicContact CE2-CG 4.32Å; Y28-P64 HydrophobicContact CG-CB 4.31Å; Y28-P64 HydrophobicContact CG-CG 4.02Å; F57-P64 HydrophobicContact CD2-CG 4.34Å; F57-P64 HydrophobicContact CE2-CG 4.45Å; F57-P64 HydrophobicContact CG-CG 4.41Å
65I88.7Confident88.7Confident25 Ų2571.3 Ų71.313%0.12834%0.34CS..EExtended strand (participates in β ladder)trans-110.6114173.5-57177.9000106.7A36 V37 F39 F67 Y107A36-I65 CarbonylContact C-O 3.52Å; A36-I65 WeakPolarHBondContact CA-O 3.19Å; V37-I65 PolarHBondContact N-O 3.39Å; V37-I65 PolarHBondContact O-N 3.05Å; F39-I65 HydrophobicContact CB-CD1 4.35Å; I65-F67 HydrophobicContact CB-CE2 4.15Å; I65-F67 HydrophobicContact CG2-CD2 4.29Å; I65-F67 HydrophobicContact CG2-CE2 3.59Å; I65-F67 HydrophobicContact CG2-CZ 3.82Å; I65-Y107 HydrophobicContact CD1-CD1 4.22Å; I65-Y107 HydrophobicContact CD1-CD2 4.42Å; I65-Y107 HydrophobicContact CD1-CE1 3.47Å; I65-Y107 VanDerWaalsContact CD1-CE1 3.47Å; I65-Y107 HydrophobicContact CD1-CE2 3.67Å; I65-Y107 WeakPolarHBondContact CD1-OH 3.46Å; I65-Y107 HydrophobicContact CG2-CE2 4.47Å
66I90.3Very high88.9Confident79 Ų7969.1 Ų69.141%0.40533%0.33SS..EExtended strand (participates in β ladder)trans-90.9126.2-174.9-54.7175000108.5H34 A36H34-I66 HydrophobicContact CB-CG2 3.65Å; A36-I66 HydrophobicContact CB-CG1 4.41Å
67F90.2Very high89.3Confident6 Ų666.6 Ų66.63%0.02633%0.328CS..EExtended strand (participates in β ladder)trans-109.7139174.7-70.4-86.3000110H34 R35 V37 I65 L103 Y107 Y114H34-F67 CarbonylContact C-O 3.48Å; H34-F67 WeakPolarHBondContact CA-O 3.24Å; H34-F67 WeakPolarHBondContact CB-O 3.49Å; R35-F67 PolarHBondContact N-O 2.78Å; R35-F67 PolarHBondContact O-N 2.97Å; V37-F67 HydrophobicContact CB-CD2 4.41Å; V37-F67 HydrophobicContact CB-CE2 4.03Å; V37-F67 HydrophobicContact CG2-CD2 3.87Å; V37-F67 HydrophobicContact CG2-CE2 3.76Å; I65-F67 HydrophobicContact CB-CE2 4.15Å; I65-F67 HydrophobicContact CG2-CD2 4.29Å; I65-F67 HydrophobicContact CG2-CE2 3.59Å; I65-F67 HydrophobicContact CG2-CZ 3.82Å; F67-L103 HydrophobicContact CB-CD1 4.18Å; F67-L103 HydrophobicContact CB-CD2 4.08Å; F67-L103 HydrophobicContact CD1-CD2 4.41Å; F67-L103 HydrophobicContact CG-CD2 4.09Å; F67-Y107 HydrophobicContact CE2-CD2 4.47Å; F67-Y107 AromaticContact CZ-CD2 3.65Å; F67-Y107 HydrophobicContact CZ-CD2 3.65Å; F67-Y107 HydrophobicContact CZ-CG 4Å; F67-Y114 HydrophobicContact CD1-CD1 4.23Å; F67-Y114 AromaticContact CD1-CE1 3.84Å; F67-Y114 HydrophobicContact CD1-CE1 3.84Å; F67-Y114 HydrophobicContact CE1-CD1 4.09Å; F67-Y114 HydrophobicContact CE1-CE1 4.17Å
68D90.8Very high89.7Confident38 Ų3865.2 Ų65.220%0.20332%0.323CS..EExtended strand (participates in β ladder)trans-77.5127.4166-172.63.2000109.2R70 Q72D68-R70 WeakPolarHBondContact OD1-CB 3.02Å; D68-R70 WeakPolarHBondContact OD1-CD 3.15Å; D68-R70 WeakPolarHBondContact OD1-CG 3.42Å; D68-R70 PolarHBondContact OD1-N 2.9Å; D68-Q72 PolarHBondContact OD2-NE2 3.39Å
69I91Very high90.1Very high36 Ų3666.3 Ų66.319%0.18533%0.329CS..  trans-106.510176.561.2154.6000112.5G33 R35 P98 P100 L103G33-I69 VanDerWaalsContact C-CG1 3.49Å; G33-I69 WeakPolarHBondContact O-CG1 3.42Å; G33-I69 PolarHBondContact O-N 3.44Å; R35-I69 HydrophobicContact CB-CG2 4.11Å; R35-I69 HydrophobicContact CG-CD1 4.12Å; R35-I69 HydrophobicContact CG-CG2 4.08Å; I69-P98 HydrophobicContact CG2-CG 4.33Å; I69-P100 HydrophobicContact CD1-CG 4.33Å; I69-P100 HydrophobicContact CG2-CB 4.49Å; I69-P100 HydrophobicContact CG2-CG 4.41Å; I69-L103 HydrophobicContact CG2-CD1 4.05Å
70R93Very high90.8Very high133 Ų13365 Ų6550%0.50232%0.32SS..SBendtrans-75.8154.8176.3-62.9169.3-176.3-177.73.8111G32 D68 Q72G32-R70 PolarHBondContact O-NH2 2.95Å; D68-R70 WeakPolarHBondContact OD1-CB 3.02Å; D68-R70 WeakPolarHBondContact OD1-CD 3.15Å; D68-R70 WeakPolarHBondContact OD1-CG 3.42Å; D68-R70 PolarHBondContact OD1-N 2.9Å; R70-Q72 PolarHBondContact O-N 2.93Å
71S93.5Very high91.3Very high60 Ų6057.2 Ų57.242%0.4230%0.299SS..  trans-70.7120.3175.7-48.60000110.2Y96 D166S71-Y96 CarbonylContact C-O 3.57Å; S71-Y96 WeakPolarHBondContact CA-O 3.19Å; S71-D166 WeakPolarHBondContact CB-OD2 3.26Å; S71-D166 PolarHBondContact OG-OD2 3.01Å
72Q92.8Very high91.7Very high62 Ų6255.6 Ų55.629%0.2929%0.29SS..EExtended strand (participates in β ladder)trans-111.9138.5180-64.9-176-500110.5D68 R70 Y96D68-Q72 PolarHBondContact OD2-NE2 3.39Å; R70-Q72 PolarHBondContact O-N 2.93Å; Q72-Y96 HydrophobicContact CB-CE1 4.05Å; Q72-Y96 PolarHBondContact N-O 3.05Å; Q72-Y96 WeakPolarHBondContact O-CD1 3.25Å; Q72-Y96 WeakPolarHBondContact O-CE1 3.4Å; Q72-Y96 PolarHBondContact O-N 3.49Å; Q72-Y96 VanDerWaalsContact O-N 3.13Å; Q72-Y96 PolarHBondContact OE1-OH 3.09Å
73P94Very high92Very high82 Ų8260 Ų6053%0.53231%0.308SS..EExtended strand (participates in β ladder)trans-79.4133.1173.831-32.2000111.5I94 L95P73-I94 CarbonylContact C-O 3.51Å; P73-I94 WeakPolarHBondContact CA-O 3.35Å; P73-L95 HydrophobicContact CB-CD2 3.76Å
74R92.1Very high92.3Very high78 Ų7856 Ų5629%0.29430%0.298SS..EExtended strand (participates in β ladder)trans-124.8126.4167.7-171.570176.1-164.3-2.2109.7V76 I94 Y96 L119R74-V76 HydrophobicContact CG-CG2 4.09Å; R74-I94 PolarHBondContact N-O 3.03Å; R74-I94 PolarHBondContact O-N 3.35Å; R74-Y96 HydrophobicContact CB-CD1 4.15Å; R74-Y96 HydrophobicContact CB-CE1 3.78Å; R74-L119 HydrophobicContact CB-CD1 4.44Å
75N93.5Very high92.4Very high94 Ų9461.6 Ų61.650%0.50333%0.325SS..EExtended strand (participates in β ladder)trans-100.7126.9172.1-64.4-34.3000109.2T91 L92 R93N75-T91 HydrophobicContact CB-CG2 4.03Å; N75-L92 CarbonylContact C-O 3.59Å; N75-L92 WeakPolarHBondContact CA-O 3.46Å; N75-R93 WeakPolarHBondContact OD1-CB 3.33Å; N75-R93 WeakPolarHBondContact OD1-CG 3.39Å
76V92.9Very high92.5Very high11 Ų1163.6 Ų63.67%0.06733%0.334CS..EExtended strand (participates in β ladder)trans-120.3103179-174.70000108.3R74 V78 L92 I94 A123 P124R74-V76 HydrophobicContact CG-CG2 4.09Å; V76-V78 HydrophobicContact CG1-CG2 3.89Å; V76-L92 PolarHBondContact N-O 3.41Å; V76-L92 PolarHBondContact O-N 3.37Å; V76-I94 HydrophobicContact CG2-CD1 4.28Å; V76-A123 HydrophobicContact CG2-CB 4.44Å; V76-P124 HydrophobicContact CG1-CG 3.86Å
77P93.9Very high92.6Very high93 Ų9365.2 Ų65.260%0.60434%0.343SS*.EExtended strand (participates in β ladder)trans-73.9130.7173.530.4-32.5000109.8
78V94.2Very high92.8Very high7 Ų765 Ų654%0.04234%0.342CS..EExtended strand (participates in β ladder)trans-137129.3-178.6-175.50000109.1V76 I90 P124 L127 K128V76-V78 HydrophobicContact CG1-CG2 3.89Å; V78-I90 PolarHBondContact N-O 3.46Å; V78-I90 PolarHBondContact O-N 2.81Å; V78-I90 VanDerWaalsContact O-O 3.09Å; V78-P124 HydrophobicContact CG1-CB 4.1Å; V78-P124 HydrophobicContact CG2-CB 3.81Å; V78-P124 HydrophobicContact CG2-CG 3.93Å; V78-L127 HydrophobicContact CB-CD2 3.7Å; V78-L127 HydrophobicContact CG1-CD2 4.14Å; V78-L127 HydrophobicContact CG2-CD2 3.83Å; V78-K128 HydrophobicContact CG1-CG 4.25Å
79I93.6Very high93Very high119 Ų11966.1 Ų66.161%0.6135%0.348SS*.EExtended strand (participates in β ladder)trans-98.1124.2169.5-56.3171.7000107.1N89I79-N89 HydrophobicContact CG1-CB 4.28Å
80T92.9Very high93.1Very high12 Ų1264.4 Ų64.47%0.07434%0.34CS..EExtended strand (participates in β ladder)trans-141153.6-178.2-173.20000111V88 I90 K128 V131T80-V88 PolarHBondContact N-O 3.4Å; T80-V88 PolarHBondContact O-N 2.91Å; T80-V88 VanDerWaalsContact O-O 3.09Å; T80-I90 HydrophobicContact CG2-CD1 4.09Å; T80-K128 WeakPolarHBondContact OG1-CG 3.45Å; T80-V131 HydrophobicContact CG2-CB 3.86Å; T80-V131 HydrophobicContact CG2-CG1 3.52Å; T80-V131 HydrophobicContact CG2-CG2 4.24Å
81G92.7Very high93.2Very high29 Ų2959.3 Ų59.330%0.29932%0.323SS..EExtended strand (participates in β ladder)trans-80.7140.8165.900000110.7Q86G81-Q86 CarbonylContact C-O 3.57Å; G81-Q86 VanDerWaalsContact CA-O 3.3Å; G81-Q86 WeakPolarHBondContact CA-O 3.42Å
82S93Very high93.2Very high5 Ų556.5 Ų56.54%0.03530%0.303CS..  trans-80.5174.9162.348.20000111D84 L85 Q86 F134S82-D84 VanDerWaalsContact CB-OD1 3.26Å; S82-D84 WeakPolarHBondContact CB-OD1 3.13Å; S82-D84 PolarHBondContact O-N 2.8Å; S82-D84 PolarHBondContact OG-OD1 3.42Å; S82-L85 WeakPolarHBondContact O-CA 3.49Å; S82-L85 PolarHBondContact O-N 2.9Å; S82-Q86 PolarHBondContact N-O 2.88Å; S82-Q86 WeakPolarHBondContact OG-CB 3.42Å; S82-Q86 PolarHBondContact OG-N 3.03Å; S82-Q86 PolarHBondContact OG-O 2.57Å; S82-F134 WeakPolarHBondContact CB-O 3.36Å
83K93.7Very high93.3Very high114 Ų11458.7 Ų58.750%0.49631%0.309SS..THydrogen-bonded Turntrans-58-32-179.9179.4176.8156.1-1420113.8L85 A132 Q133 F134 D135K83-L85 PolarHBondContact O-N 3.03Å; K83-A132 WeakPolarHBondContact CA-O 3.37Å; K83-A132 WeakPolarHBondContact CB-O 3.34Å; K83-Q133 WeakPolarHBondContact CD-O 3.48Å; K83-F134 VanDerWaalsContact CB-O 3.24Å; K83-F134 WeakPolarHBondContact CB-O 3.47Å; K83-F134 PolarHBondContact N-O 3.12Å; K83-D135 WeakPolarHBondContact CB-OD1 3.46Å; K83-D135 WeakPolarHBondContact CD-OD1 3.49Å; K83-D135 WeakPolarHBondContact CG-OD1 3.34Å; K83-D135 IonicContact NZ-OD1 2.73Å; K83-D135 IonicContact NZ-OD2 3.74Å; K83-D135 PolarHBondContact NZ-OD2 2.74Å
84D92.9Very high93.3Very high58 Ų5854.8 Ų54.831%0.3128%0.284SS..THydrogen-bonded Turntrans-85.315174.863.7-24000113.7S82 Q86 A136S82-D84 VanDerWaalsContact CB-OD1 3.26Å; S82-D84 WeakPolarHBondContact CB-OD1 3.13Å; S82-D84 PolarHBondContact O-N 2.8Å; S82-D84 PolarHBondContact OG-OD1 3.42Å; D84-Q86 PolarHBondContact O-N 3.17Å; D84-Q86 WeakPolarHBondContact OD2-CG 3.3Å; D84-A136 PolarHBondContact OD1-N 2.88Å; D84-A136 WeakPolarHBondContact OD2-CB 3.43Å
85L90.4Very high93.4Very high153 Ų15353.2 Ų53.280%0.80128%0.281SS*.SBendtrans62.223178.9-53.3173000114S82 K83S82-L85 WeakPolarHBondContact O-CA 3.49Å; S82-L85 PolarHBondContact O-N 2.9Å; K83-L85 PolarHBondContact O-N 3.03Å
86Q91Very high93.5Very high67 Ų6748.9 Ų48.931%0.31326%0.258SS..  trans-82.6136.8171.8-61.9-60.9-42.100110.6G81 S82 D84 V88 A136 F179G81-Q86 CarbonylContact C-O 3.57Å; G81-Q86 VanDerWaalsContact CA-O 3.3Å; G81-Q86 WeakPolarHBondContact CA-O 3.42Å; S82-Q86 PolarHBondContact N-O 2.88Å; S82-Q86 WeakPolarHBondContact OG-CB 3.42Å; S82-Q86 PolarHBondContact OG-N 3.03Å; S82-Q86 PolarHBondContact OG-O 2.57Å; D84-Q86 PolarHBondContact O-N 3.17Å; D84-Q86 WeakPolarHBondContact OD2-CG 3.3Å; Q86-V88 PolarHBondContact O-N 3.36Å; Q86-A136 HydrophobicContact CB-CB 4.25Å; Q86-A136 HydrophobicContact CG-CB 4.31Å; Q86-F179 HydrophobicContact CG-CD2 4.04Å; Q86-F179 HydrophobicContact CG-CE2 4.4Å
87N93.1Very high93.5Very high113 Ų11353.1 Ų53.160%0.60427%0.272SS*.EExtended strand (participates in β ladder)trans-73.7122.2172.8-74.4-30.6000109.9G176N87-G176 PolarHBondContact O-N 3.38Å
88V93.7Very high93.4Very high0 Ų048.7 Ų48.70%024%0.244CC..EExtended strand (participates in β ladder)trans-119.6124.3176.8-1630000108.6T80 Q86 I90 L139 L173 F175T80-V88 PolarHBondContact N-O 3.4Å; T80-V88 PolarHBondContact O-N 2.91Å; T80-V88 VanDerWaalsContact O-O 3.09Å; Q86-V88 PolarHBondContact O-N 3.36Å; V88-I90 HydrophobicContact CB-CD1 4.33Å; V88-I90 HydrophobicContact CB-CG1 4.23Å; V88-I90 HydrophobicContact CG1-CD1 3.83Å; V88-I90 HydrophobicContact CG1-CG1 3.53Å; V88-L139 HydrophobicContact CG1-CD1 4.25Å; V88-L139 HydrophobicContact CG2-CD1 3.97Å; V88-L173 HydrophobicContact CG1-CD2 3.64Å; V88-L173 HydrophobicContact CG1-CG 3.98Å; V88-F175 HydrophobicContact CG1-CD1 4.1Å; V88-F175 HydrophobicContact CG1-CE1 4Å; V88-F175 HydrophobicContact CG2-CD1 3.86Å; V88-F175 HydrophobicContact CG2-CE1 3.9Å
89N94.2Very high93.3Very high63 Ų6349.7 Ų49.734%0.33725%0.249SC..EExtended strand (participates in β ladder)trans-98.6119.2169.7177.911.3000108.4I79 H172 T174I79-N89 HydrophobicContact CG1-CB 4.28Å; N89-H172 VanDerWaalsContact O-O 3.13Å; N89-T174 WeakPolarHBondContact CB-OG1 3.32Å; N89-T174 PolarHBondContact N-O 2.94Å; N89-T174 PolarHBondContact O-N 3.29Å; N89-T174 PolarHBondContact O-OG1 3.14Å
90I94.1Very high93.1Very high0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-127.7133.3-172.7-54.5178.9000108V78 T80 V88 L127 V131 L170 L173V78-I90 PolarHBondContact N-O 3.46Å; V78-I90 PolarHBondContact O-N 2.81Å; V78-I90 VanDerWaalsContact O-O 3.09Å; T80-I90 HydrophobicContact CG2-CD1 4.09Å; V88-I90 HydrophobicContact CB-CD1 4.33Å; V88-I90 HydrophobicContact CB-CG1 4.23Å; V88-I90 HydrophobicContact CG1-CD1 3.83Å; V88-I90 HydrophobicContact CG1-CG1 3.53Å; I90-L127 HydrophobicContact CB-CD2 4.31Å; I90-L127 HydrophobicContact CG2-CD2 4.19Å; I90-V131 HydrophobicContact CD1-CG1 4.17Å; I90-V131 HydrophobicContact CD1-CG2 3.77Å; I90-L170 HydrophobicContact CG2-CB 4.23Å; I90-L170 HydrophobicContact CG2-CD2 3.67Å; I90-L170 HydrophobicContact CG2-CG 4.47Å; I90-L173 HydrophobicContact CG1-CG 4.29Å
91T94.4Very high93Very high26 Ų2650.2 Ų50.216%0.1625%0.254CS..EExtended strand (participates in β ladder)trans-102.7110.3169.8-58.70000110.1N75 R93 T171N75-T91 HydrophobicContact CB-CG2 4.03Å; T91-R93 PolarHBondContact O-N 2.99Å; T91-T171 CarbonylContact C-O 3.58Å; T91-T171 WeakPolarHBondContact CA-O 3.32Å; T91-T171 WeakPolarHBondContact CB-O 3.3Å; T91-T171 WeakPolarHBondContact CB-OG1 3.41Å; T91-T171 PolarHBondContact N-O 3.25Å; T91-T171 CarbonylContact O-C 3.54Å; T91-T171 WeakPolarHBondContact O-CA 3.44Å; T91-T171 PolarHBondContact O-N 2.94Å; T91-T171 PolarHBondContact O-OG1 3.14Å
92L94.3Very high92.8Very high0 Ų052.1 Ų52.10%026%0.255CS..EExtended strand (participates in β ladder)trans-80.9121.2175.2-167.769.3000109.9N75 V76 I94 A123 L127 V150 L154 I168 L170N75-L92 CarbonylContact C-O 3.59Å; N75-L92 WeakPolarHBondContact CA-O 3.46Å; V76-L92 PolarHBondContact N-O 3.41Å; V76-L92 PolarHBondContact O-N 3.37Å; L92-I94 HydrophobicContact CD2-CD1 3.89Å; L92-I94 HydrophobicContact CD2-CG1 3.92Å; L92-I94 HydrophobicContact CG-CD1 4.39Å; L92-I94 HydrophobicContact CG-CG1 3.94Å; L92-A123 HydrophobicContact CD2-CB 4.1Å; L92-L127 HydrophobicContact CB-CD2 4.28Å; L92-V150 HydrophobicContact CD1-CG1 4.18Å; L92-V150 HydrophobicContact CD2-CG1 4.33Å; L92-L154 HydrophobicContact CD2-CD2 4.14Å; L92-I168 HydrophobicContact CD1-CG2 3.58Å; L92-I168 HydrophobicContact CD2-CG2 4.32Å; L92-I168 HydrophobicContact CG-CG2 4.11Å; L92-L170 HydrophobicContact CD1-CD2 3.54Å; L92-L170 HydrophobicContact CD1-CG 4.43Å
93R94.6Very high92.7Very high108 Ų10851.9 Ų51.941%0.40825%0.253SS..EExtended strand (participates in β ladder)trans-96.1122.9170178.5176.4179.8160.90.7108.7N75 T91 I168 S169 T171N75-R93 WeakPolarHBondContact OD1-CB 3.33Å; N75-R93 WeakPolarHBondContact OD1-CG 3.39Å; T91-R93 PolarHBondContact O-N 2.99Å; R93-I168 WeakPolarHBondContact O-CA 3.49Å; R93-S169 PolarHBondContact N-O 2.87Å; R93-S169 PolarHBondContact O-N 2.96Å; R93-T171 HydrophobicContact CB-CG2 3.77Å
94I94.3Very high92.5Very high0 Ų046.6 Ų46.60%023%0.23CC..EExtended strand (participates in β ladder)trans-119125.1-179.4-53.6169.9000107.8P73 R74 V76 L92 A123 L154 L165 I168P73-I94 CarbonylContact C-O 3.51Å; P73-I94 WeakPolarHBondContact CA-O 3.35Å; R74-I94 PolarHBondContact N-O 3.03Å; R74-I94 PolarHBondContact O-N 3.35Å; V76-I94 HydrophobicContact CG2-CD1 4.28Å; L92-I94 HydrophobicContact CD2-CD1 3.89Å; L92-I94 HydrophobicContact CD2-CG1 3.92Å; L92-I94 HydrophobicContact CG-CD1 4.39Å; L92-I94 HydrophobicContact CG-CG1 3.94Å; I94-A123 HydrophobicContact CD1-CB 3.75Å; I94-L154 HydrophobicContact CD1-CD2 3.94Å; I94-L154 HydrophobicContact CG1-CD2 4.38Å; I94-L165 HydrophobicContact CG2-CD2 3.81Å; I94-I168 HydrophobicContact CG2-CG1 4.27Å
95L94.8Very high92.4Very high45 Ų4549.2 Ų49.224%0.23624%0.239CC..EExtended strand (participates in β ladder)trans-96.5116.2164-69.1179.7000108P73 L165 D166 D167P73-L95 HydrophobicContact CB-CD2 3.76Å; L95-L165 CarbonylContact O-C 3.58Å; L95-L165 WeakPolarHBondContact O-CA 3.24Å; L95-D166 HydrophobicContact CB-CB 4.43Å; L95-D166 PolarHBondContact O-N 3.1Å; L95-D167 HydrophobicContact CB-CB 4.22Å; L95-D167 HydrophobicContact CD1-CB 4.03Å; L95-D167 HydrophobicContact CG-CB 4.41Å; L95-D167 PolarHBondContact N-O 3.04Å
96Y94Very high92.4Very high4 Ų442.1 Ų42.12%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-133.4155.1-175.474.2-75.6000111.7S71 Q72 R74 Y114 D115 L119 F163 I164S71-Y96 CarbonylContact C-O 3.57Å; S71-Y96 WeakPolarHBondContact CA-O 3.19Å; Q72-Y96 HydrophobicContact CB-CE1 4.05Å; Q72-Y96 PolarHBondContact N-O 3.05Å; Q72-Y96 WeakPolarHBondContact O-CD1 3.25Å; Q72-Y96 WeakPolarHBondContact O-CE1 3.4Å; Q72-Y96 PolarHBondContact O-N 3.49Å; Q72-Y96 VanDerWaalsContact O-N 3.13Å; Q72-Y96 PolarHBondContact OE1-OH 3.09Å; R74-Y96 HydrophobicContact CB-CD1 4.15Å; R74-Y96 HydrophobicContact CB-CE1 3.78Å; Y96-Y114 HydrophobicContact CE2-CE2 4.17Å; Y96-D115 HydrophobicContact CE2-CB 3.98Å; Y96-D115 WeakPolarHBondContact OH-CB 3.31Å; Y96-L119 HydrophobicContact CD1-CD1 3.52Å; Y96-L119 HydrophobicContact CD2-CD1 3.7Å; Y96-L119 HydrophobicContact CE1-CD1 3.7Å; Y96-L119 HydrophobicContact CE2-CD1 3.82Å; Y96-L119 HydrophobicContact CG-CD1 3.56Å; Y96-F163 HydrophobicContact CD2-CD1 4.25Å; Y96-I164 CarbonylContact C-O 3.51Å; Y96-I164 VanDerWaalsContact CA-O 3.3Å; Y96-I164 WeakPolarHBondContact CA-O 3.48Å
97R93.3Very high92.3Very high99 Ų9941.9 Ų41.937%0.37420%0.198SC..EExtended strand (participates in β ladder)trans-145.8147.9170.659-176.4164.1161.3-2.5110.4I164 D166R97-I164 HydrophobicContact CG-CB 3.93Å; R97-I164 HydrophobicContact CG-CG2 4.39Å; R97-I164 PolarHBondContact N-O 3.13Å; R97-I164 PolarHBondContact O-N 3.1Å; R97-D166 WeakPolarHBondContact CD-OD2 3.39Å; R97-D166 IonicContact CZ-OD1 3.91Å; R97-D166 VanDerWaalsContact CZ-OD1 3.22Å; R97-D166 IonicContact CZ-OD2 3.05Å; R97-D166 IonicContact NE-OD1 3.17Å; R97-D166 PolarHBondContact NE-OD1 2.82Å; R97-D166 IonicContact NE-OD2 3.22Å; R97-D166 PolarHBondContact NE-OD2 3.29Å; R97-D166 VanDerWaalsContact NE-OD2 3.17Å; R97-D166 IonicContact NH2-OD1 2.88Å; R97-D166 PolarHBondContact NH2-OD1 3.25Å
98P93.1Very high92Very high1 Ų140.9 Ų40.91%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-70.3147.7175.430.1-35.5000111.5I69 P100 L103 I106 Y114I69-P98 HydrophobicContact CG2-CG 4.33Å; P98-P100 VanDerWaalsContact O-CD 3.25Å; P98-P100 WeakPolarHBondContact O-CD 3.35Å; P98-L103 HydrophobicContact CB-CD2 3.74Å; P98-L103 HydrophobicContact CG-CD2 3.96Å; P98-I106 HydrophobicContact CB-CD1 4.03Å; P98-Y114 HydrophobicContact CB-CE2 4.43Å
99I91.8Very high91.8Very high28 Ų2845.9 Ų45.914%0.14422%0.222CC..  trans-67.9118.2171.2-65173.6000107.8D101 Q102 L103 G162 I164I99-D101 HydrophobicContact CG2-CB 4.49Å; I99-D101 PolarHBondContact O-N 3.05Å; I99-D101 VanDerWaalsContact O-N 3.09Å; I99-Q102 HydrophobicContact CB-CB 4.21Å; I99-Q102 HydrophobicContact CB-CG 4.34Å; I99-Q102 HydrophobicContact CG2-CB 4.29Å; I99-Q102 HydrophobicContact CG2-CG 4.01Å; I99-Q102 PolarHBondContact O-N 3.44Å; I99-L103 PolarHBondContact O-N 2.9Å; I99-G162 WeakPolarHBondContact CG1-O 3.38Å; I99-G162 PolarHBondContact N-O 2.85Å; I99-I164 HydrophobicContact CD1-CG1 4.35Å; I99-I164 HydrophobicContact CG1-CD1 3.83Å; I99-I164 HydrophobicContact CG1-CG1 3.54Å
100P89.3Confident91.4Very high26 Ų2643.9 Ų43.917%0.16921%0.211CC..THydrogen-bonded Turntrans-62.8-24.7-171.7-27.137.3000115R35 V49 I69 P98R35-P100 PolarHBondContact NH1-O 2.83Å; V49-P100 WeakPolarHBondContact CG2-O 3.3Å; I69-P100 HydrophobicContact CD1-CG 4.33Å; I69-P100 HydrophobicContact CG2-CB 4.49Å; I69-P100 HydrophobicContact CG2-CG 4.41Å; P98-P100 VanDerWaalsContact O-CD 3.25Å; P98-P100 WeakPolarHBondContact O-CD 3.35Å
101D90.2Very high91Very high116 Ų11644.9 Ų44.962%0.6222%0.222SC*.THydrogen-bonded Turntrans-87.3-16.3-179.4-54.5-24.6000112.7R35 I99R35-D101 IonicContact NH1-OD1 2.94Å; R35-D101 PolarHBondContact NH1-OD1 3.13Å; I99-D101 HydrophobicContact CG2-CB 4.49Å; I99-D101 PolarHBondContact O-N 3.05Å; I99-D101 VanDerWaalsContact O-N 3.09Å
102Q89.5Confident90.4Very high69 Ų6949.6 Ų49.632%0.32224%0.242SC..SBendtrans-101.74.8179.8-63.5-172.1-3.100113I99 P104 K105 I106I99-Q102 HydrophobicContact CB-CB 4.21Å; I99-Q102 HydrophobicContact CB-CG 4.34Å; I99-Q102 HydrophobicContact CG2-CB 4.29Å; I99-Q102 HydrophobicContact CG2-CG 4.01Å; I99-Q102 PolarHBondContact O-N 3.44Å; Q102-P104 VanDerWaalsContact C-N 3.32Å; Q102-K105 WeakPolarHBondContact O-CB 3.13Å; Q102-K105 PolarHBondContact O-N 2.81Å; Q102-I106 HydrophobicContact CB-CD1 4.46Å; Q102-I106 WeakPolarHBondContact O-CG1 3.43Å; Q102-I106 PolarHBondContact O-N 3.39Å
103L90Very high89.9Confident0 Ų054.8 Ų54.80%027%0.27CS..Hα-helixtrans-51.5-40.2177.5-68.9174.8000114.1R35 V37 V49 F67 I69 P98 I99 K105 I106 Y107R35-L103 HydrophobicContact CB-CD1 3.66Å; V37-L103 HydrophobicContact CG2-CB 3.59Å; V49-L103 HydrophobicContact CG1-CD1 3.96Å; V49-L103 HydrophobicContact CG2-CB 4.33Å; F67-L103 HydrophobicContact CB-CD1 4.18Å; F67-L103 HydrophobicContact CB-CD2 4.08Å; F67-L103 HydrophobicContact CD1-CD2 4.41Å; F67-L103 HydrophobicContact CG-CD2 4.09Å; I69-L103 HydrophobicContact CG2-CD1 4.05Å; P98-L103 HydrophobicContact CB-CD2 3.74Å; P98-L103 HydrophobicContact CG-CD2 3.96Å; I99-L103 PolarHBondContact O-N 2.9Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.26Å; L103-I106 HydrophobicContact CD2-CD1 4.42Å; L103-I106 PolarHBondContact O-N 3.39Å; L103-Y107 WeakPolarHBondContact O-CB 3.12Å; L103-Y107 PolarHBondContact O-N 3.05Å
104P90.4Very high89.3Confident3 Ų350.3 Ų50.32%0.01925%0.253CS..Hα-helixtrans-60.4-42175.8-24.535.7000112.6V37 I45 E47 V49 Q102 T108V37-P104 HydrophobicContact CG1-CB 4.4Å; V37-P104 HydrophobicContact CG1-CG 4.37Å; V37-P104 HydrophobicContact CG2-CG 4.42Å; I45-P104 HydrophobicContact CG2-CB 3.89Å; E47-P104 WeakPolarHBondContact O-CG 3.25Å; V49-P104 HydrophobicContact CG2-CG 3.72Å; Q102-P104 VanDerWaalsContact C-N 3.32Å; P104-T108 WeakPolarHBondContact O-CB 3.33Å; P104-T108 PolarHBondContact O-N 3.16Å; P104-T108 PolarHBondContact O-OG1 3.49Å
105K89.9Confident88.6Confident113 Ų11352 Ų5249%0.49126%0.262SS..Hα-helixtrans-69.4-42.7177.9-174.6179.5179.9-1740111.8Q102 L103 Y107 T108 I109Q102-K105 WeakPolarHBondContact O-CB 3.13Å; Q102-K105 PolarHBondContact O-N 2.81Å; L103-K105 VanDerWaalsContact C-N 3.33Å; L103-K105 PolarHBondContact O-N 3.26Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; K105-T108 PolarHBondContact O-N 2.83Å; K105-I109 HydrophobicContact CD-CD1 4.33Å; K105-I109 HydrophobicContact CG-CD1 3.68Å; K105-I109 HydrophobicContact CG-CG1 4.42Å; K105-I109 WeakPolarHBondContact O-CG1 3.37Å; K105-I109 PolarHBondContact O-N 3.46Å
106I89.9Confident88.1Confident4 Ų455.6 Ų55.62%0.02128%0.278CS..Hα-helixtrans-57.8-49.4175-69.9168.3000109.6P98 Q102 L103 T108 I109 L110 G111 Y114 G162P98-I106 HydrophobicContact CB-CD1 4.03Å; Q102-I106 HydrophobicContact CB-CD1 4.46Å; Q102-I106 WeakPolarHBondContact O-CG1 3.43Å; Q102-I106 PolarHBondContact O-N 3.39Å; L103-I106 HydrophobicContact CD2-CD1 4.42Å; L103-I106 PolarHBondContact O-N 3.39Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 2.81Å; I106-I109 PolarHBondContact O-N 2.99Å; I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CA 3.48Å; I106-L110 WeakPolarHBondContact O-CB 3.12Å; I106-L110 PolarHBondContact O-N 3.08Å; I106-G111 PolarHBondContact O-N 2.83Å; I106-Y114 HydrophobicContact CG2-CD1 4.23Å; I106-Y114 HydrophobicContact CG2-CG 3.89Å; I106-G162 WeakPolarHBondContact CD1-O 3.32Å
107Y88.9Confident87.6Confident61 Ų6163 Ų6324%0.23931%0.306CS..Hα-helixtrans-62.6-39.2179.1-177.1-114.7000112.6I45 I65 F67 L103 K105 G111 Q112I45-Y107 HydrophobicContact CD1-CD1 3.5Å; I45-Y107 VanDerWaalsContact CD1-CD1 3.5Å; I45-Y107 HydrophobicContact CD1-CE1 3.89Å; I45-Y107 HydrophobicContact CG1-CD1 3.95Å; I45-Y107 HydrophobicContact CG1-CE1 4.15Å; I65-Y107 HydrophobicContact CD1-CD1 4.22Å; I65-Y107 HydrophobicContact CD1-CD2 4.42Å; I65-Y107 HydrophobicContact CD1-CE1 3.47Å; I65-Y107 VanDerWaalsContact CD1-CE1 3.47Å; I65-Y107 HydrophobicContact CD1-CE2 3.67Å; I65-Y107 WeakPolarHBondContact CD1-OH 3.46Å; I65-Y107 HydrophobicContact CG2-CE2 4.47Å; F67-Y107 HydrophobicContact CE2-CD2 4.47Å; F67-Y107 AromaticContact CZ-CD2 3.65Å; F67-Y107 HydrophobicContact CZ-CD2 3.65Å; F67-Y107 HydrophobicContact CZ-CG 4Å; L103-Y107 WeakPolarHBondContact O-CB 3.12Å; L103-Y107 PolarHBondContact O-N 3.05Å; K105-Y107 VanDerWaalsContact C-N 3.34Å; Y107-G111 VanDerWaalsContact O-CA 3.3Å; Y107-G111 WeakPolarHBondContact O-CA 3.44Å; Y107-G111 PolarHBondContact O-N 3.08Å; Y107-G111 VanDerWaalsContact O-N 3.14Å; Y107-Q112 HydrophobicContact CE2-CB 4.5Å
108T87.7Confident87.3Confident93 Ų9358.7 Ų58.757%0.57129%0.29SS*.Hα-helixtrans-66.9-41.1179-53.60000112.6I45 P104 K105 I106I45-T108 HydrophobicContact CD1-CG2 4.48Å; I45-T108 WeakPolarHBondContact CD1-OG1 3.46Å; P104-T108 WeakPolarHBondContact O-CB 3.33Å; P104-T108 PolarHBondContact O-N 3.16Å; P104-T108 PolarHBondContact O-OG1 3.49Å; K105-T108 PolarHBondContact O-N 2.83Å; I106-T108 VanDerWaalsContact C-N 3.33Å; I106-T108 PolarHBondContact O-N 2.81Å
109I88.1Confident87Confident105 Ų10558.6 Ų58.654%0.53829%0.29SS..Hα-helixtrans-89.7-43.9-173.2-62.8175000111.9K105 I106K105-I109 HydrophobicContact CD-CD1 4.33Å; K105-I109 HydrophobicContact CG-CD1 3.68Å; K105-I109 HydrophobicContact CG-CG1 4.42Å; K105-I109 WeakPolarHBondContact O-CG1 3.37Å; K105-I109 PolarHBondContact O-N 3.46Å; I106-I109 PolarHBondContact O-N 2.99Å
110L86Confident86.9Confident20 Ų2059.5 Ų59.511%0.10530%0.298CS..THydrogen-bonded Turntrans-102.9-31.1-169.5-59.3173.2000112.3I106 V118 F163I106-L110 HydrophobicContact CG2-CD1 4.24Å; I106-L110 WeakPolarHBondContact O-CA 3.48Å; I106-L110 WeakPolarHBondContact O-CB 3.12Å; I106-L110 PolarHBondContact O-N 3.08Å; L110-V118 HydrophobicContact CD1-CG2 3.48Å; L110-V118 VanDerWaalsContact CD1-CG2 3.48Å; L110-V118 HydrophobicContact CD2-CG2 3.43Å; L110-V118 VanDerWaalsContact CD2-CG2 3.43Å; L110-V118 HydrophobicContact CG-CG2 4.09Å; L110-F163 HydrophobicContact CD1-CE2 4.14Å; L110-F163 HydrophobicContact CD1-CZ 4.05Å
111G86.3Confident86.9Confident22 Ų2262 Ų6223%0.22732%0.316CS..  trans93.1-163.2-173.800000112.6I106 Y107I106-G111 PolarHBondContact O-N 2.83Å; Y107-G111 VanDerWaalsContact O-CA 3.3Å; Y107-G111 WeakPolarHBondContact O-CA 3.44Å; Y107-G111 PolarHBondContact O-N 3.08Å; Y107-G111 VanDerWaalsContact O-N 3.14Å
112Q82Confident87Confident125 Ų12557.1 Ų57.158%0.58429%0.289SS*.SBendtrans-73.1-34.4176.2-167.3170.89.900111.6Y107 Y114Y107-Q112 HydrophobicContact CE2-CB 4.5Å; Q112-Y114 VanDerWaalsContact O-CD1 3.31Å; Q112-Y114 WeakPolarHBondContact O-CD1 3.47Å; Q112-Y114 PolarHBondContact O-N 2.81Å
113D84.5Confident87.2Confident108 Ų10853.8 Ų53.858%0.57827%0.274SS*.  trans-85.350.9178.9-49.4-41.1000111.3D115D113-D115 VanDerWaalsContact C-N 3.3Å; D113-D115 PolarHBondContact O-N 3.12Å
114Y82.1Confident87.4Confident15 Ų1555 Ų556%0.05928%0.281CS..Hα-helixtrans-68.7-31.2-173.865.7-100.4000112.7F67 Y96 P98 I106 Q112 F163F67-Y114 HydrophobicContact CD1-CD1 4.23Å; F67-Y114 AromaticContact CD1-CE1 3.84Å; F67-Y114 HydrophobicContact CD1-CE1 3.84Å; F67-Y114 HydrophobicContact CE1-CD1 4.09Å; F67-Y114 HydrophobicContact CE1-CE1 4.17Å; Y96-Y114 HydrophobicContact CE2-CE2 4.17Å; P98-Y114 HydrophobicContact CB-CE2 4.43Å; I106-Y114 HydrophobicContact CG2-CD1 4.23Å; I106-Y114 HydrophobicContact CG2-CG 3.89Å; Q112-Y114 VanDerWaalsContact O-CD1 3.31Å; Q112-Y114 WeakPolarHBondContact O-CD1 3.47Å; Q112-Y114 PolarHBondContact O-N 2.81Å; Y114-F163 HydrophobicContact CD2-CD1 4.44Å; Y114-F163 AromaticContact CD2-CE1 3.19Å; Y114-F163 HydrophobicContact CD2-CE1 3.19Å; Y114-F163 AromaticContact CD2-CZ 3.41Å; Y114-F163 HydrophobicContact CD2-CZ 3.41Å; Y114-F163 VanDerWaalsContact CD2-CZ 3.41Å; Y114-F163 HydrophobicContact CE2-CD1 4.42Å; Y114-F163 AromaticContact CE2-CE1 3.47Å; Y114-F163 HydrophobicContact CE2-CE1 3.47Å; Y114-F163 VanDerWaalsContact CE2-CE1 3.47Å; Y114-F163 HydrophobicContact CE2-CZ 4.17Å; Y114-F163 HydrophobicContact CG-CE1 4.25Å; Y114-F163 HydrophobicContact CG-CZ 4.22Å
115D79.8Confident87.5Confident36 Ų3659.7 Ų59.719%0.19330%0.303CS..Hα-helixtrans-73.4-39.8-176.162.6-41.1000112.2Y96 D113 R117Y96-D115 HydrophobicContact CE2-CB 3.98Å; Y96-D115 WeakPolarHBondContact OH-CB 3.31Å; D113-D115 VanDerWaalsContact C-N 3.3Å; D113-D115 PolarHBondContact O-N 3.12Å; D115-R117 VanDerWaalsContact C-N 3.28Å; D115-R117 PolarHBondContact O-N 2.99Å
116E82.7Confident87.8Confident120 Ų12054.3 Ų54.356%0.56128%0.28SS*.Hα-helixtrans-71.4-22.3-179.2-62.7-157.5147.400113.4P120E116-P120 WeakPolarHBondContact O-CD 3.28Å; E116-P120 VanDerWaalsContact O-CG 3.28Å; E116-P120 WeakPolarHBondContact O-CG 3.36Å
117R83.1Confident88Confident160 Ų16054.1 Ų54.160%0.60428%0.279SS*.Hα-helixtrans-91.1-45.4-172.3-156.8175.5-155.1161.74.6113.5D115 S121D115-R117 VanDerWaalsContact C-N 3.28Å; D115-R117 PolarHBondContact O-N 2.99Å; R117-S121 PolarHBondContact O-OG 3.19Å
118V87.1Confident88.2Confident7 Ų756.1 Ų56.14%0.04229%0.289CS..Hα-helixtrans-86.5-55.9-169.3179.50000111.6L110 S121 I122 F161 F163L110-V118 HydrophobicContact CD1-CG2 3.48Å; L110-V118 VanDerWaalsContact CD1-CG2 3.48Å; L110-V118 HydrophobicContact CD2-CG2 3.43Å; L110-V118 VanDerWaalsContact CD2-CG2 3.43Å; L110-V118 HydrophobicContact CG-CG2 4.09Å; V118-S121 WeakPolarHBondContact O-CB 3.43Å; V118-S121 PolarHBondContact O-N 3.44Å; V118-S121 VanDerWaalsContact O-N 3.08Å; V118-I122 HydrophobicContact CG1-CD1 3.96Å; V118-I122 HydrophobicContact CG1-CG1 4.33Å; V118-I122 HydrophobicContact CG1-CG2 4.33Å; V118-I122 WeakPolarHBondContact O-CG1 3.45Å; V118-I122 PolarHBondContact O-N 3.45Å; V118-F161 HydrophobicContact CG1-CB 3.87Å; V118-F161 HydrophobicContact CG1-CD1 4.09Å; V118-F161 HydrophobicContact CG1-CD2 3.62Å; V118-F161 HydrophobicContact CG1-CE2 4.17Å; V118-F161 HydrophobicContact CG1-CG 3.58Å; V118-F161 HydrophobicContact CG2-CB 4.42Å; V118-F161 HydrophobicContact CG2-CD1 4.12Å; V118-F161 HydrophobicContact CG2-CG 4.3Å; V118-F163 HydrophobicContact CB-CD2 4.46Å; V118-F163 HydrophobicContact CB-CE2 3.71Å; V118-F163 HydrophobicContact CG1-CD2 4.12Å; V118-F163 HydrophobicContact CG1-CE2 3.8Å; V118-F163 HydrophobicContact CG2-CE2 3.89Å
119L87.3Confident88.5Confident0 Ų053.9 Ų53.90%028%0.279CS..Hα-helixtrans-60.8-44.8-172.3-65.6176.8000113.5R74 Y96 S121 I122 A123 L165R74-L119 HydrophobicContact CB-CD1 4.44Å; Y96-L119 HydrophobicContact CD1-CD1 3.52Å; Y96-L119 HydrophobicContact CD2-CD1 3.7Å; Y96-L119 HydrophobicContact CE1-CD1 3.7Å; Y96-L119 HydrophobicContact CE2-CD1 3.82Å; Y96-L119 HydrophobicContact CG-CD1 3.56Å; L119-S121 PolarHBondContact O-N 3.5Å; L119-S121 VanDerWaalsContact O-N 3.12Å; L119-I122 HydrophobicContact CD2-CD1 4.4Å; L119-A123 WeakPolarHBondContact O-CB 3.36Å; L119-A123 PolarHBondContact O-N 2.68Å; L119-L165 HydrophobicContact CD2-CD2 4.35Å
120P89.6Confident88.8Confident47 Ų4748.9 Ų48.931%0.30525%0.254SS..Hα-helixtrans-65.4-15.3178.6-24.838.9000114E116 P124E116-P120 WeakPolarHBondContact O-CD 3.28Å; E116-P120 VanDerWaalsContact O-CG 3.28Å; E116-P120 WeakPolarHBondContact O-CG 3.36Å; P120-P124 WeakPolarHBondContact O-CD 3.11Å; P120-P124 VanDerWaalsContact O-CG 3.23Å; P120-P124 WeakPolarHBondContact O-CG 3.26Å
121S89.6Confident89.1Confident79 Ų7947.9 Ų47.955%0.55225%0.249SC*.Hα-helixtrans-92.6-50.4179.6-58.40000110.9R117 V118 L119R117-S121 PolarHBondContact O-OG 3.19Å; V118-S121 WeakPolarHBondContact O-CB 3.43Å; V118-S121 PolarHBondContact O-N 3.44Å; V118-S121 VanDerWaalsContact O-N 3.08Å; L119-S121 PolarHBondContact O-N 3.5Å; L119-S121 VanDerWaalsContact O-N 3.12Å
122I92.5Very high89.5Confident12 Ų1249.3 Ų49.36%0.06226%0.258CS..Hα-helixtrans-77.4-33.7-176.365.5171.3000113.3V118 L119 E125 V126 L154 A158 F161V118-I122 HydrophobicContact CG1-CD1 3.96Å; V118-I122 HydrophobicContact CG1-CG1 4.33Å; V118-I122 HydrophobicContact CG1-CG2 4.33Å; V118-I122 WeakPolarHBondContact O-CG1 3.45Å; V118-I122 PolarHBondContact O-N 3.45Å; L119-I122 HydrophobicContact CD2-CD1 4.4Å; I122-E125 PolarHBondContact O-N 3.47Å; I122-V126 WeakPolarHBondContact O-CG2 3.14Å; I122-V126 PolarHBondContact O-N 2.9Å; I122-V126 VanDerWaalsContact O-N 3.1Å; I122-L154 HydrophobicContact CB-CD1 4.38Å; I122-L154 HydrophobicContact CD1-CD1 3.89Å; I122-L154 HydrophobicContact CG1-CD1 3.86Å; I122-A158 HydrophobicContact CD1-CB 4.16Å; I122-F161 HydrophobicContact CG2-CE2 3.93Å
123A93.3Very high90.1Very high0 Ų048 Ų480%025%0.252CS..Hα-helixtrans-69.2-47.1-172.700000113V76 L92 I94 L119 E125 L127 L154V76-A123 HydrophobicContact CG2-CB 4.44Å; L92-A123 HydrophobicContact CD2-CB 4.1Å; I94-A123 HydrophobicContact CD1-CB 3.75Å; L119-A123 WeakPolarHBondContact O-CB 3.36Å; L119-A123 PolarHBondContact O-N 2.68Å; A123-E125 VanDerWaalsContact C-N 3.29Å; A123-E125 PolarHBondContact O-N 3.31Å; A123-L127 VanDerWaalsContact O-CB 3.24Å; A123-L127 WeakPolarHBondContact O-CB 3.23Å; A123-L127 PolarHBondContact O-N 2.8Å; A123-L154 HydrophobicContact CB-CD1 4.38Å; A123-L154 HydrophobicContact CB-CD2 4.39Å
124P93.9Very high90.5Very high24 Ų2443.1 Ų43.116%0.15623%0.226CC..Hα-helixtrans-64.4-33.6175.9-22.535.3000113.3V76 V78 P120 K128V76-P124 HydrophobicContact CG1-CG 3.86Å; V78-P124 HydrophobicContact CG1-CB 4.1Å; V78-P124 HydrophobicContact CG2-CB 3.81Å; V78-P124 HydrophobicContact CG2-CG 3.93Å; P120-P124 WeakPolarHBondContact O-CD 3.11Å; P120-P124 VanDerWaalsContact O-CG 3.23Å; P120-P124 WeakPolarHBondContact O-CG 3.26Å; P124-K128 WeakPolarHBondContact O-CB 3.36Å; P124-K128 WeakPolarHBondContact O-CD 3.43Å; P124-K128 WeakPolarHBondContact O-CG 3.18Å; P124-K128 PolarHBondContact O-N 2.87Å
125E94Very high91.1Very high103 Ų10344.7 Ų44.748%0.48124%0.235SC..Hα-helixtrans-65.6-51.8178.9-166.5-162145.600111.3I122 A123 L127 K128 A129 R157I122-E125 PolarHBondContact O-N 3.47Å; A123-E125 VanDerWaalsContact C-N 3.29Å; A123-E125 PolarHBondContact O-N 3.31Å; E125-L127 PolarHBondContact O-N 3.36Å; E125-K128 PolarHBondContact O-N 2.99Å; E125-A129 WeakPolarHBondContact O-CB 3.37Å; E125-A129 PolarHBondContact O-N 2.91Å; E125-R157 IonicContact OE1-CZ 2.82Å; E125-R157 IonicContact OE1-NH1 3.12Å; E125-R157 PolarHBondContact OE1-NH1 3.12Å; E125-R157 IonicContact OE1-NH2 3.56Å; E125-R157 PolarHBondContact OE1-NH2 3.06Å; E125-R157 IonicContact OE2-NH1 3.43Å; E125-R157 PolarHBondContact OE2-NH1 3.38Å; E125-R157 VanDerWaalsContact OE2-NH1 3.12Å
126V94.4Very high91.6Very high0 Ų043 Ų430%023%0.226CC..Hα-helixtrans-62.5-44.4177.5174.70000110.7I122 K128 A129 V130 V150 E153 L154I122-V126 WeakPolarHBondContact O-CG2 3.14Å; I122-V126 PolarHBondContact O-N 2.9Å; I122-V126 VanDerWaalsContact O-N 3.1Å; V126-K128 PolarHBondContact O-N 3.35Å; V126-A129 PolarHBondContact O-N 3.23Å; V126-V130 HydrophobicContact CG1-CG2 4.32Å; V126-V130 WeakPolarHBondContact O-CG2 3.15Å; V126-V130 PolarHBondContact O-N 2.83Å; V126-V150 HydrophobicContact CG1-CG1 4.43Å; V126-E153 HydrophobicContact CG1-CB 3.67Å; V126-L154 HydrophobicContact CB-CD1 4.22Å; V126-L154 HydrophobicContact CG1-CB 4.27Å; V126-L154 HydrophobicContact CG2-CD1 4Å
127L94.3Very high91.9Very high0 Ų039.1 Ų39.10%022%0.218CC..Hα-helixtrans-61.1-44.1179.8-176.862.8000111.9V78 I90 L92 A123 E125 A129 V130 V131 V150 L170V78-L127 HydrophobicContact CB-CD2 3.7Å; V78-L127 HydrophobicContact CG1-CD2 4.14Å; V78-L127 HydrophobicContact CG2-CD2 3.83Å; I90-L127 HydrophobicContact CB-CD2 4.31Å; I90-L127 HydrophobicContact CG2-CD2 4.19Å; L92-L127 HydrophobicContact CB-CD2 4.28Å; A123-L127 VanDerWaalsContact O-CB 3.24Å; A123-L127 WeakPolarHBondContact O-CB 3.23Å; A123-L127 PolarHBondContact O-N 2.8Å; E125-L127 PolarHBondContact O-N 3.36Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-A129 PolarHBondContact O-N 3.5Å; L127-V130 PolarHBondContact O-N 2.91Å; L127-V131 HydrophobicContact CD1-CG2 3.65Å; L127-V131 HydrophobicContact CG-CG2 4.11Å; L127-V131 VanDerWaalsContact O-CB 3.27Å; L127-V131 WeakPolarHBondContact O-CB 3.39Å; L127-V131 WeakPolarHBondContact O-CG2 3.35Å; L127-V131 PolarHBondContact O-N 3.47Å; L127-V150 HydrophobicContact CD1-CG2 3.98Å; L127-L170 HydrophobicContact CD1-CD2 3.49Å; L127-L170 VanDerWaalsContact CD1-CD2 3.49Å
128K94.1Very high92.3Very high103 Ų10334.4 Ų34.445%0.44820%0.203SC..Hα-helixtrans-61.2-42.9175.3-74.8169.5-176.5179.10111.8V78 T80 P124 E125 V126 A132V78-K128 HydrophobicContact CG1-CG 4.25Å; T80-K128 WeakPolarHBondContact OG1-CG 3.45Å; P124-K128 WeakPolarHBondContact O-CB 3.36Å; P124-K128 WeakPolarHBondContact O-CD 3.43Å; P124-K128 WeakPolarHBondContact O-CG 3.18Å; P124-K128 PolarHBondContact O-N 2.87Å; E125-K128 PolarHBondContact O-N 2.99Å; V126-K128 PolarHBondContact O-N 3.35Å; K128-A132 VanDerWaalsContact O-CB 3.22Å; K128-A132 WeakPolarHBondContact O-CB 3.43Å; K128-A132 PolarHBondContact O-N 3.23Å
129A94.1Very high92.5Very high45 Ų4534.1 Ų34.137%0.37220%0.201SC..Hα-helixtrans-65.1-39.1-17900000112.8E125 V126 L127 Q133E125-A129 WeakPolarHBondContact O-CB 3.37Å; E125-A129 PolarHBondContact O-N 2.91Å; V126-A129 PolarHBondContact O-N 3.23Å; L127-A129 VanDerWaalsContact C-N 3.35Å; L127-A129 PolarHBondContact O-N 3.5Å; A129-Q133 PolarHBondContact O-NE2 3.5Å
130V93.5Very high92.6Very high0 Ų038.6 Ų38.60%022%0.224CC..Hα-helixtrans-76.8-46.7177.8179.50000111V126 L127 A132 Q133 F134 V146 R149 V150 E153V126-V130 HydrophobicContact CG1-CG2 4.32Å; V126-V130 WeakPolarHBondContact O-CG2 3.15Å; V126-V130 PolarHBondContact O-N 2.83Å; L127-V130 PolarHBondContact O-N 2.91Å; V130-A132 VanDerWaalsContact C-N 3.28Å; V130-A132 PolarHBondContact O-N 3.01Å; V130-Q133 WeakPolarHBondContact O-CB 3.41Å; V130-Q133 PolarHBondContact O-N 3.1Å; V130-F134 HydrophobicContact CG1-CD2 4.31Å; V130-F134 HydrophobicContact CG1-CE2 3.89Å; V130-F134 WeakPolarHBondContact O-CD2 3.39Å; V130-V146 HydrophobicContact CG1-CG1 4.19Å; V130-R149 HydrophobicContact CG1-CB 4Å; V130-V150 HydrophobicContact CB-CG2 3.78Å; V130-V150 HydrophobicContact CG1-CG2 3.75Å; V130-V150 HydrophobicContact CG2-CG2 4.01Å; V130-E153 WeakPolarHBondContact CG2-OE2 3.48Å
131V93.6Very high92.6Very high0 Ų041.5 Ų41.50%024%0.241CC..Hα-helixtrans-64.9-32.4-176.8174.20000112T80 I90 L127 Q133 F134 L139T80-V131 HydrophobicContact CG2-CB 3.86Å; T80-V131 HydrophobicContact CG2-CG1 3.52Å; T80-V131 HydrophobicContact CG2-CG2 4.24Å; I90-V131 HydrophobicContact CD1-CG1 4.17Å; I90-V131 HydrophobicContact CD1-CG2 3.77Å; L127-V131 HydrophobicContact CD1-CG2 3.65Å; L127-V131 HydrophobicContact CG-CG2 4.11Å; L127-V131 VanDerWaalsContact O-CB 3.27Å; L127-V131 WeakPolarHBondContact O-CB 3.39Å; L127-V131 WeakPolarHBondContact O-CG2 3.35Å; L127-V131 PolarHBondContact O-N 3.47Å; V131-Q133 PolarHBondContact O-N 2.71Å; V131-Q133 VanDerWaalsContact O-N 3.1Å; V131-F134 PolarHBondContact O-N 2.59Å; V131-F134 VanDerWaalsContact O-N 3.13Å; V131-L139 HydrophobicContact CG1-CD1 3.87Å; V131-L139 HydrophobicContact CG1-CD2 4.4Å
132A93.7Very high92.7Very high51 Ų5142 Ų4242%0.42124%0.235SC..THydrogen-bonded Turntrans-62.7-14.1174.100000114.1K83 K128 V130K83-A132 WeakPolarHBondContact CA-O 3.37Å; K83-A132 WeakPolarHBondContact CB-O 3.34Å; K128-A132 VanDerWaalsContact O-CB 3.22Å; K128-A132 WeakPolarHBondContact O-CB 3.43Å; K128-A132 PolarHBondContact O-N 3.23Å; V130-A132 VanDerWaalsContact C-N 3.28Å; V130-A132 PolarHBondContact O-N 3.01Å
133Q94.2Very high92.6Very high98 Ų9846.5 Ų46.546%0.45825%0.251SS..THydrogen-bonded Turntrans-90.1-13.9177.8-59.3170.631.800113.2K83 A129 V130 V131K83-Q133 WeakPolarHBondContact CD-O 3.48Å; A129-Q133 PolarHBondContact O-NE2 3.5Å; V130-Q133 WeakPolarHBondContact O-CB 3.41Å; V130-Q133 PolarHBondContact O-N 3.1Å; V131-Q133 PolarHBondContact O-N 2.71Å; V131-Q133 VanDerWaalsContact O-N 3.1Å
134F94.5Very high92.6Very high6 Ų652.4 Ų52.43%0.02628%0.279CS..SBendtrans-113.3146-175.5-70.4-86.9000111.7S82 K83 V130 V131 E138 L139 V146S82-F134 WeakPolarHBondContact CB-O 3.36Å; K83-F134 VanDerWaalsContact CB-O 3.24Å; K83-F134 WeakPolarHBondContact CB-O 3.47Å; K83-F134 PolarHBondContact N-O 3.12Å; V130-F134 HydrophobicContact CG1-CD2 4.31Å; V130-F134 HydrophobicContact CG1-CE2 3.89Å; V130-F134 WeakPolarHBondContact O-CD2 3.39Å; V131-F134 PolarHBondContact O-N 2.59Å; V131-F134 VanDerWaalsContact O-N 3.13Å; F134-E138 HydrophobicContact CD1-CB 4.29Å; F134-E138 WeakPolarHBondContact CD1-OE2 3.24Å; F134-L139 HydrophobicContact CB-CD2 3.9Å; F134-L139 HydrophobicContact CB-CG 4.39Å; F134-V146 HydrophobicContact CD1-CG2 4.05Å; F134-V146 HydrophobicContact CD2-CG1 4.3Å; F134-V146 HydrophobicContact CD2-CG2 3.95Å; F134-V146 HydrophobicContact CE1-CG2 4Å; F134-V146 HydrophobicContact CE2-CB 4.42Å; F134-V146 HydrophobicContact CE2-CG1 4.3Å; F134-V146 HydrophobicContact CE2-CG2 3.92Å; F134-V146 HydrophobicContact CG-CG2 3.98Å; F134-V146 HydrophobicContact CZ-CG2 3.89Å
135D93.5Very high92.5Very high47 Ų4755.4 Ų55.425%0.25129%0.292SS..  trans-80.1153.4175.7-65.5-50.2000110.9K83 G137 E138 L139K83-D135 WeakPolarHBondContact CB-OD1 3.46Å; K83-D135 WeakPolarHBondContact CD-OD1 3.49Å; K83-D135 WeakPolarHBondContact CG-OD1 3.34Å; K83-D135 IonicContact NZ-OD1 2.73Å; K83-D135 IonicContact NZ-OD2 3.74Å; K83-D135 PolarHBondContact NZ-OD2 2.74Å; D135-G137 PolarHBondContact O-N 2.77Å; D135-E138 HydrophobicContact CB-CG 4.24Å; D135-E138 PolarHBondContact N-OE2 2.82Å; D135-E138 VanDerWaalsContact N-OE2 3.1Å; D135-E138 WeakPolarHBondContact O-CB 3.5Å; D135-E138 PolarHBondContact O-N 2.88Å; D135-L139 PolarHBondContact O-N 3.49Å; D135-L139 VanDerWaalsContact O-N 3.12Å
136A90.9Very high92.4Very high0 Ų050.5 Ų50.50%027%0.269CS..Hα-helixtrans-56.1-36.9-176.800000113.4D84 Q86 L139 F175 F179D84-A136 PolarHBondContact OD1-N 2.88Å; D84-A136 WeakPolarHBondContact OD2-CB 3.43Å; Q86-A136 HydrophobicContact CB-CB 4.25Å; Q86-A136 HydrophobicContact CG-CB 4.31Å; A136-L139 PolarHBondContact O-N 2.92Å; A136-F175 HydrophobicContact CB-CD1 4.06Å; A136-F175 HydrophobicContact CB-CE1 3.65Å; A136-F175 WeakPolarHBondContact O-CE1 3.42Å; A136-F175 VanDerWaalsContact O-CZ 3.26Å; A136-F175 WeakPolarHBondContact O-CZ 3.36Å; A136-F179 HydrophobicContact CB-CE1 3.96Å; A136-F179 HydrophobicContact CB-CE2 3.96Å; A136-F179 HydrophobicContact CB-CZ 3.53Å
137G89.1Confident92.4Very high39 Ų3950.9 Ų50.940%0.40227%0.272SS..Hα-helixtrans-68.4-31.6175.500000114.1D135 I140 T141D135-G137 PolarHBondContact O-N 2.77Å; G137-I140 PolarHBondContact O-N 3.41Å; G137-T141 PolarHBondContact O-N 3.47Å; G137-T141 PolarHBondContact O-OG1 3.12Å; G137-T141 VanDerWaalsContact O-OG1 3.04Å
138E91.7Very high92.3Very high62 Ų6254.9 Ų54.929%0.2929%0.29SS..Hα-helixtrans-71.6-33.9175.5-63179.3149.700111F134 D135 I140 T141 Q142F134-E138 HydrophobicContact CD1-CB 4.29Å; F134-E138 WeakPolarHBondContact CD1-OE2 3.24Å; D135-E138 HydrophobicContact CB-CG 4.24Å; D135-E138 PolarHBondContact N-OE2 2.82Å; D135-E138 VanDerWaalsContact N-OE2 3.1Å; D135-E138 WeakPolarHBondContact O-CB 3.5Å; D135-E138 PolarHBondContact O-N 2.88Å; E138-I140 PolarHBondContact O-N 3.09Å; E138-T141 PolarHBondContact O-N 2.95Å; E138-Q142 WeakPolarHBondContact O-CA 3.42Å; E138-Q142 WeakPolarHBondContact O-CB 3.15Å; E138-Q142 PolarHBondContact O-N 3.26Å
139L91.4Very high92.3Very high1 Ų154.7 Ų54.71%0.00529%0.287CS..Hα-helixtrans-62.8-27.4174.7-63.7178.7000113V88 V131 F134 D135 A136 V146 L173 F175V88-L139 HydrophobicContact CG1-CD1 4.25Å; V88-L139 HydrophobicContact CG2-CD1 3.97Å; V131-L139 HydrophobicContact CG1-CD1 3.87Å; V131-L139 HydrophobicContact CG1-CD2 4.4Å; F134-L139 HydrophobicContact CB-CD2 3.9Å; F134-L139 HydrophobicContact CB-CG 4.39Å; D135-L139 PolarHBondContact O-N 3.49Å; D135-L139 VanDerWaalsContact O-N 3.12Å; A136-L139 PolarHBondContact O-N 2.92Å; L139-V146 HydrophobicContact CD2-CB 4.47Å; L139-V146 HydrophobicContact CD2-CG1 4.03Å; L139-V146 HydrophobicContact CD2-CG2 3.83Å; L139-L173 HydrophobicContact CB-CD1 3.97Å; L139-F175 HydrophobicContact CB-CZ 4.21Å; L139-F175 HydrophobicContact CD1-CE1 4.35Å
140I89.2Confident92.3Very high93 Ų9352.6 Ų52.648%0.47727%0.269SS..Hα-helixtrans-76.6-50.3175.1-60.4175.3000110.5G137 E138 F175 F179G137-I140 PolarHBondContact O-N 3.41Å; E138-I140 PolarHBondContact O-N 3.09Å; I140-F175 HydrophobicContact CD1-CD2 4.41Å; I140-F175 HydrophobicContact CD1-CE2 3.6Å; I140-F175 HydrophobicContact CD1-CZ 3.95Å; I140-F175 HydrophobicContact CG1-CE2 3.39Å; I140-F175 HydrophobicContact CG1-CZ 3.49Å; I140-F175 VanDerWaalsContact CG1-CZ 3.49Å; I140-F179 HydrophobicContact CD1-CE1 4.48Å
141T90.2Very high92.3Very high109 Ų10954.2 Ų54.267%0.66928%0.281SS*.Hα-helixtrans-84.2-34.7-169.552.30000113.2G137 E138G137-T141 PolarHBondContact O-N 3.47Å; G137-T141 PolarHBondContact O-OG1 3.12Å; G137-T141 VanDerWaalsContact O-OG1 3.04Å; E138-T141 PolarHBondContact O-N 2.95Å
142Q91.8Very high92.4Very high88 Ų8860.5 Ų60.541%0.41131%0.31SS..  trans-117.332.3-173.2-57.3-177.421.900112.7E138 E144 M145 V146E138-Q142 WeakPolarHBondContact O-CA 3.42Å; E138-Q142 WeakPolarHBondContact O-CB 3.15Å; E138-Q142 PolarHBondContact O-N 3.26Å; Q142-E144 PolarHBondContact O-N 3.12Å; Q142-E144 VanDerWaalsContact O-N 3.11Å; Q142-M145 HydrophobicContact CB-CB 4.34Å; Q142-M145 WeakPolarHBondContact O-CB 3.34Å; Q142-M145 PolarHBondContact O-N 2.8Å; Q142-V146 PolarHBondContact O-N 2.96Å
143R90.4Very high92.4Very high108 Ų10861.4 Ų61.441%0.40831%0.306SS..Hα-helixtrans-52.4-35.5-179.6-178.7172.5163.6-162.6-6.7114.1V146 S147 L170R143-V146 PolarHBondContact O-N 3.43Å; R143-S147 WeakPolarHBondContact O-CB 3.47Å; R143-S147 PolarHBondContact O-N 3.05Å; R143-S147 PolarHBondContact O-OG 3.45Å; R143-L170 HydrophobicContact CG-CB 4.41Å; R143-L170 HydrophobicContact CG-CD1 4.27Å; R143-L170 PolarHBondContact NE-O 3.17Å; R143-L170 VanDerWaalsContact NE-O 3.12Å; R143-L170 PolarHBondContact NH2-O 3.39Å
144E91.8Very high92.4Very high123 Ų12356.8 Ų56.858%0.57528%0.284SS*.Hα-helixtrans-65.5-44.6178.9-175.954.2-146.200111.5Q142 V146 S147 Q148Q142-E144 PolarHBondContact O-N 3.12Å; Q142-E144 VanDerWaalsContact O-N 3.11Å; E144-V146 VanDerWaalsContact C-N 3.31Å; E144-V146 PolarHBondContact O-N 2.73Å; E144-S147 PolarHBondContact O-N 3.37Å; E144-Q148 WeakPolarHBondContact O-CG 3.35Å; E144-Q148 PolarHBondContact O-N 2.96Å; E144-Q148 PolarHBondContact OE1-NE2 3.11Å
145M92.4Very high92.4Very high87 Ų8759 Ų5943%0.42930%0.298SS..Hα-helixtrans-61.5-40.2176.9-69.3-61.2-59.500111.9Q142 Q148 R149Q142-M145 HydrophobicContact CB-CB 4.34Å; Q142-M145 WeakPolarHBondContact O-CB 3.34Å; Q142-M145 PolarHBondContact O-N 2.8Å; M145-Q148 PolarHBondContact O-N 3.5Å; M145-R149 WeakPolarHBondContact O-CG 3.4Å; M145-R149 PolarHBondContact O-N 3.2Å; M145-R149 VanDerWaalsContact O-N 3.09Å
146V92.5Very high92.4Very high0 Ų061.4 Ų61.40%031%0.314CS..Hα-helixtrans-66.2-44.8176.6-174.90000110.2V130 F134 L139 Q142 R143 E144 Q148 R149 V150 L170V130-V146 HydrophobicContact CG1-CG1 4.19Å; F134-V146 HydrophobicContact CD1-CG2 4.05Å; F134-V146 HydrophobicContact CD2-CG1 4.3Å; F134-V146 HydrophobicContact CD2-CG2 3.95Å; F134-V146 HydrophobicContact CE1-CG2 4Å; F134-V146 HydrophobicContact CE2-CB 4.42Å; F134-V146 HydrophobicContact CE2-CG1 4.3Å; F134-V146 HydrophobicContact CE2-CG2 3.92Å; F134-V146 HydrophobicContact CG-CG2 3.98Å; F134-V146 HydrophobicContact CZ-CG2 3.89Å; L139-V146 HydrophobicContact CD2-CB 4.47Å; L139-V146 HydrophobicContact CD2-CG1 4.03Å; L139-V146 HydrophobicContact CD2-CG2 3.83Å; Q142-V146 PolarHBondContact O-N 2.96Å; R143-V146 PolarHBondContact O-N 3.43Å; E144-V146 VanDerWaalsContact C-N 3.31Å; E144-V146 PolarHBondContact O-N 2.73Å; V146-Q148 VanDerWaalsContact C-N 3.32Å; V146-Q148 PolarHBondContact O-N 2.97Å; V146-R149 PolarHBondContact O-N 3.19Å; V146-V150 HydrophobicContact CG1-CG2 4.47Å; V146-V150 WeakPolarHBondContact O-CG2 3.36Å; V146-V150 PolarHBondContact O-N 3.04Å; V146-L170 HydrophobicContact CB-CD1 4.03Å; V146-L170 HydrophobicContact CG1-CD1 3.8Å
147S92.6Very high92.5Very high9 Ų965.3 Ų65.36%0.06333%0.329CS..Hα-helixtrans-60.4-41.3178.2-56.50000111.5R143 E144 V150 S151 L170R143-S147 WeakPolarHBondContact O-CB 3.47Å; R143-S147 PolarHBondContact O-N 3.05Å; R143-S147 PolarHBondContact O-OG 3.45Å; E144-S147 PolarHBondContact O-N 3.37Å; S147-V150 PolarHBondContact O-N 3.39Å; S147-S151 VanDerWaalsContact O-CB 3.26Å; S147-S151 WeakPolarHBondContact O-CB 3.15Å; S147-S151 PolarHBondContact O-N 3.4Å; S147-L170 WeakPolarHBondContact OG-CD1 3.36Å; S147-L170 WeakPolarHBondContact OG-CG 3.41Å
148Q93Very high92.6Very high83 Ų8363.4 Ų63.439%0.38831%0.31SS..Hα-helixtrans-65.3-41.9176.3-71.2176.112.600112.9E144 M145 V146 S151 Q152E144-Q148 WeakPolarHBondContact O-CG 3.35Å; E144-Q148 PolarHBondContact O-N 2.96Å; E144-Q148 PolarHBondContact OE1-NE2 3.11Å; M145-Q148 PolarHBondContact O-N 3.5Å; V146-Q148 VanDerWaalsContact C-N 3.32Å; V146-Q148 PolarHBondContact O-N 2.97Å; Q148-S151 WeakPolarHBondContact O-CB 3.27Å; Q148-S151 PolarHBondContact O-N 2.93Å; Q148-Q152 WeakPolarHBondContact O-CG 3.22Å; Q148-Q152 PolarHBondContact O-N 2.74Å
149R93.7Very high92.6Very high100 Ų10067.3 Ų67.338%0.37733%0.326SS..Hα-helixtrans-64-46.3175.3-72.8-168.5-169167.66.2111.9V130 M145 V146 S151 Q152 E153V130-R149 HydrophobicContact CG1-CB 4Å; M145-R149 WeakPolarHBondContact O-CG 3.4Å; M145-R149 PolarHBondContact O-N 3.2Å; M145-R149 VanDerWaalsContact O-N 3.09Å; V146-R149 PolarHBondContact O-N 3.19Å; R149-S151 PolarHBondContact O-N 3.33Å; R149-Q152 PolarHBondContact O-N 2.75Å; R149-E153 PolarHBondContact O-N 3.41Å; R149-E153 VanDerWaalsContact O-N 3.12Å
150V95Very high92.6Very high0 Ų073.9 Ų73.90%036%0.356CS..Hα-helixtrans-57.7-41.5173.4174.50000110.2L92 V126 L127 V130 V146 S147 E153 L154 I168L92-V150 HydrophobicContact CD1-CG1 4.18Å; L92-V150 HydrophobicContact CD2-CG1 4.33Å; V126-V150 HydrophobicContact CG1-CG1 4.43Å; L127-V150 HydrophobicContact CD1-CG2 3.98Å; V130-V150 HydrophobicContact CB-CG2 3.78Å; V130-V150 HydrophobicContact CG1-CG2 3.75Å; V130-V150 HydrophobicContact CG2-CG2 4.01Å; V146-V150 HydrophobicContact CG1-CG2 4.47Å; V146-V150 WeakPolarHBondContact O-CG2 3.36Å; V146-V150 PolarHBondContact O-N 3.04Å; S147-V150 PolarHBondContact O-N 3.39Å; V150-E153 PolarHBondContact O-N 2.99Å; V150-L154 WeakPolarHBondContact O-CB 3.26Å; V150-L154 PolarHBondContact O-N 3.33Å; V150-I168 HydrophobicContact CG1-CG2 4.16Å
151S94Very high92.6Very high35 Ų3573.3 Ų73.325%0.24535%0.351CS..Hα-helixtrans-61.6-46.2-180-179.60000112.8S147 Q148 R149 T155S147-S151 VanDerWaalsContact O-CB 3.26Å; S147-S151 WeakPolarHBondContact O-CB 3.15Å; S147-S151 PolarHBondContact O-N 3.4Å; Q148-S151 WeakPolarHBondContact O-CB 3.27Å; Q148-S151 PolarHBondContact O-N 2.93Å; R149-S151 PolarHBondContact O-N 3.33Å; S151-T155 WeakPolarHBondContact O-CB 3.49Å; S151-T155 PolarHBondContact O-N 2.9Å; S151-T155 PolarHBondContact O-OG1 3.26Å
152Q94.2Very high92.7Very high132 Ų13268.1 Ų68.162%0.61732%0.319SS*.Hα-helixtrans-62.4-50.5178.2-69.8170.47.400111.8Q148 R149 T155 V156Q148-Q152 WeakPolarHBondContact O-CG 3.22Å; Q148-Q152 PolarHBondContact O-N 2.74Å; R149-Q152 PolarHBondContact O-N 2.75Å; Q152-T155 PolarHBondContact O-N 3.24Å; Q152-V156 WeakPolarHBondContact O-CG2 3.48Å; Q152-V156 PolarHBondContact O-N 3.27Å
153E94.2Very high92.7Very high70 Ų7064.1 Ų64.133%0.32730%0.3SS..Hα-helixtrans-65.3-43-179.1-70.7-172.1-164.900112.3V126 V130 R149 V150 V156 R157V126-E153 HydrophobicContact CG1-CB 3.67Å; V130-E153 WeakPolarHBondContact CG2-OE2 3.48Å; R149-E153 PolarHBondContact O-N 3.41Å; R149-E153 VanDerWaalsContact O-N 3.12Å; V150-E153 PolarHBondContact O-N 2.99Å; E153-V156 PolarHBondContact O-N 3.37Å; E153-R157 PolarHBondContact O-N 3.02Å
154L94.5Very high92.8Very high0 Ų061.6 Ų61.60%029%0.294CS..Hα-helixtrans-69.5-36.9-179.1-167.262.2000111.4L92 I94 I122 A123 V126 V150 R157 A158 L165 I168L92-L154 HydrophobicContact CD2-CD2 4.14Å; I94-L154 HydrophobicContact CD1-CD2 3.94Å; I94-L154 HydrophobicContact CG1-CD2 4.38Å; I122-L154 HydrophobicContact CB-CD1 4.38Å; I122-L154 HydrophobicContact CD1-CD1 3.89Å; I122-L154 HydrophobicContact CG1-CD1 3.86Å; A123-L154 HydrophobicContact CB-CD1 4.38Å; A123-L154 HydrophobicContact CB-CD2 4.39Å; V126-L154 HydrophobicContact CB-CD1 4.22Å; V126-L154 HydrophobicContact CG1-CB 4.27Å; V126-L154 HydrophobicContact CG2-CD1 4Å; V150-L154 WeakPolarHBondContact O-CB 3.26Å; V150-L154 PolarHBondContact O-N 3.33Å; L154-R157 PolarHBondContact O-N 2.9Å; L154-A158 WeakPolarHBondContact O-CB 3.39Å; L154-A158 PolarHBondContact O-N 3.46Å; L154-L165 HydrophobicContact CB-CD1 4.11Å; L154-L165 HydrophobicContact CD2-CD1 3.89Å; L154-L165 HydrophobicContact CG-CD1 3.58Å; L154-I168 HydrophobicContact CB-CD1 4.06Å; L154-I168 HydrophobicContact CD2-CD1 3.87Å; L154-I168 HydrophobicContact CD2-CG1 4.37Å; L154-I168 HydrophobicContact CG-CD1 4.33Å
155T93.9Very high92.9Very high52 Ų5256.6 Ų56.632%0.31927%0.271SS..Hα-helixtrans-63.4-42176.5-62.20000111.6S151 Q152 R157 A158 K159S151-T155 WeakPolarHBondContact O-CB 3.49Å; S151-T155 PolarHBondContact O-N 2.9Å; S151-T155 PolarHBondContact O-OG1 3.26Å; Q152-T155 PolarHBondContact O-N 3.24Å; T155-R157 PolarHBondContact O-N 3.49Å; T155-A158 PolarHBondContact O-N 3.33Å; T155-K159 WeakPolarHBondContact O-CB 3.34Å; T155-K159 PolarHBondContact O-N 2.93Å
156V93.8Very high92.9Very high98 Ų9855.5 Ų55.559%0.59427%0.267SS*.Hα-helixtrans-61.4-45.8177.2171.80000110.9Q152 E153Q152-V156 WeakPolarHBondContact O-CG2 3.48Å; Q152-V156 PolarHBondContact O-N 3.27Å; E153-V156 PolarHBondContact O-N 3.37Å
157R92.5Very high92.8Very high82 Ų8259.2 Ų59.231%0.30929%0.287SS..Hα-helixtrans-68.6-43.9177.9-66.8-167.2-176-157.72112.2E125 E153 L154 T155 K159 Q160 F161E125-R157 IonicContact OE1-CZ 2.82Å; E125-R157 IonicContact OE1-NH1 3.12Å; E125-R157 PolarHBondContact OE1-NH1 3.12Å; E125-R157 IonicContact OE1-NH2 3.56Å; E125-R157 PolarHBondContact OE1-NH2 3.06Å; E125-R157 IonicContact OE2-NH1 3.43Å; E125-R157 PolarHBondContact OE2-NH1 3.38Å; E125-R157 VanDerWaalsContact OE2-NH1 3.12Å; E153-R157 PolarHBondContact O-N 3.02Å; L154-R157 PolarHBondContact O-N 2.9Å; T155-R157 PolarHBondContact O-N 3.49Å; R157-K159 VanDerWaalsContact C-N 3.32Å; R157-K159 PolarHBondContact O-N 3.38Å; R157-Q160 WeakPolarHBondContact O-CB 3.45Å; R157-Q160 PolarHBondContact O-N 3.05Å; R157-Q160 VanDerWaalsContact O-N 3.16Å; R157-F161 VanDerWaalsContact O-CD2 3.32Å; R157-F161 WeakPolarHBondContact O-CD2 3.42Å
158A92.6Very high92.8Very high0 Ų059.1 Ų59.10%029%0.285CS..Hα-helixtrans-64.6-34.7-178.400000112.8I122 L154 T155 Q160 F161 G162 F163 L165I122-A158 HydrophobicContact CD1-CB 4.16Å; L154-A158 WeakPolarHBondContact O-CB 3.39Å; L154-A158 PolarHBondContact O-N 3.46Å; T155-A158 PolarHBondContact O-N 3.33Å; A158-Q160 PolarHBondContact O-N 3.24Å; A158-F161 PolarHBondContact O-N 2.87Å; A158-F161 VanDerWaalsContact O-N 3.08Å; A158-G162 PolarHBondContact O-N 3.49Å; A158-F163 CarbonylContact C-O 3.58Å; A158-F163 HydrophobicContact CB-CB 4.12Å; A158-F163 PolarHBondContact O-N 3.06Å; A158-L165 HydrophobicContact CB-CD1 3.57Å; A158-L165 HydrophobicContact CB-CD2 4.13Å; A158-L165 HydrophobicContact CB-CG 3.78Å
159K91.3Very high92.8Very high144 Ų14456.7 Ų56.763%0.62628%0.277SS*.Hα-helixtrans-60.9-29.6175.4-171174-177.8177.40112.9T155 R157 F161 G162T155-K159 WeakPolarHBondContact O-CB 3.34Å; T155-K159 PolarHBondContact O-N 2.93Å; R157-K159 VanDerWaalsContact C-N 3.32Å; R157-K159 PolarHBondContact O-N 3.38Å; K159-F161 VanDerWaalsContact C-N 3.28Å; K159-F161 PolarHBondContact O-N 2.81Å; K159-G162 PolarHBondContact O-N 3.28Å
160Q90.8Very high92.7Very high139 Ų13952 Ų5265%0.6526%0.26SS*.Hα-helixtrans-67.3-31176.7-62.5177.5-24.100112.5R157 A158R157-Q160 WeakPolarHBondContact O-CB 3.45Å; R157-Q160 PolarHBondContact O-N 3.05Å; R157-Q160 VanDerWaalsContact O-N 3.16Å; A158-Q160 PolarHBondContact O-N 3.24Å
161F90.2Very high92.5Very high81 Ų8153.2 Ų53.236%0.35527%0.267SS..THydrogen-bonded Turntrans-90.9-2177.7-63-77.2000113.5V118 I122 R157 A158 K159 F163V118-F161 HydrophobicContact CG1-CB 3.87Å; V118-F161 HydrophobicContact CG1-CD1 4.09Å; V118-F161 HydrophobicContact CG1-CD2 3.62Å; V118-F161 HydrophobicContact CG1-CE2 4.17Å; V118-F161 HydrophobicContact CG1-CG 3.58Å; V118-F161 HydrophobicContact CG2-CB 4.42Å; V118-F161 HydrophobicContact CG2-CD1 4.12Å; V118-F161 HydrophobicContact CG2-CG 4.3Å; I122-F161 HydrophobicContact CG2-CE2 3.93Å; R157-F161 VanDerWaalsContact O-CD2 3.32Å; R157-F161 WeakPolarHBondContact O-CD2 3.42Å; A158-F161 PolarHBondContact O-N 2.87Å; A158-F161 VanDerWaalsContact O-N 3.08Å; K159-F161 VanDerWaalsContact C-N 3.28Å; K159-F161 PolarHBondContact O-N 2.81Å; F161-F163 HydrophobicContact CB-CD2 3.81Å; F161-F163 HydrophobicContact CB-CE2 3.84Å
162G90.5Very high92.1Very high0 Ų058.2 Ų58.20%029%0.287CS..THydrogen-bonded Turntrans86.724.3179.400000114.6I99 I106 A158 K159I99-G162 WeakPolarHBondContact CG1-O 3.38Å; I99-G162 PolarHBondContact N-O 2.85Å; I106-G162 WeakPolarHBondContact CD1-O 3.32Å; A158-G162 PolarHBondContact O-N 3.49Å; K159-G162 PolarHBondContact O-N 3.28Å
163F92.3Very high91.8Very high4 Ų453.7 Ų53.72%0.01827%0.266CS..EExtended strand (participates in β ladder)trans-102.7142.9173.8-62.1-62.1000112.2Y96 L110 Y114 V118 A158 F161 L165Y96-F163 HydrophobicContact CD2-CD1 4.25Å; L110-F163 HydrophobicContact CD1-CE2 4.14Å; L110-F163 HydrophobicContact CD1-CZ 4.05Å; Y114-F163 HydrophobicContact CD2-CD1 4.44Å; Y114-F163 AromaticContact CD2-CE1 3.19Å; Y114-F163 HydrophobicContact CD2-CE1 3.19Å; Y114-F163 AromaticContact CD2-CZ 3.41Å; Y114-F163 HydrophobicContact CD2-CZ 3.41Å; Y114-F163 VanDerWaalsContact CD2-CZ 3.41Å; Y114-F163 HydrophobicContact CE2-CD1 4.42Å; Y114-F163 AromaticContact CE2-CE1 3.47Å; Y114-F163 HydrophobicContact CE2-CE1 3.47Å; Y114-F163 VanDerWaalsContact CE2-CE1 3.47Å; Y114-F163 HydrophobicContact CE2-CZ 4.17Å; Y114-F163 HydrophobicContact CG-CE1 4.25Å; Y114-F163 HydrophobicContact CG-CZ 4.22Å; V118-F163 HydrophobicContact CB-CD2 4.46Å; V118-F163 HydrophobicContact CB-CE2 3.71Å; V118-F163 HydrophobicContact CG1-CD2 4.12Å; V118-F163 HydrophobicContact CG1-CE2 3.8Å; V118-F163 HydrophobicContact CG2-CE2 3.89Å; A158-F163 CarbonylContact C-O 3.58Å; A158-F163 HydrophobicContact CB-CB 4.12Å; A158-F163 PolarHBondContact O-N 3.06Å; F161-F163 HydrophobicContact CB-CD2 3.81Å; F161-F163 HydrophobicContact CB-CE2 3.84Å; F163-L165 HydrophobicContact CB-CD2 4.47Å
164I92.7Very high91.7Very high55 Ų5553.9 Ų53.928%0.28227%0.272SS..EExtended strand (participates in β ladder)trans-102.8127.9164.7-60.1164.5000106.6Y96 R97 I99Y96-I164 CarbonylContact C-O 3.51Å; Y96-I164 VanDerWaalsContact CA-O 3.3Å; Y96-I164 WeakPolarHBondContact CA-O 3.48Å; R97-I164 HydrophobicContact CG-CB 3.93Å; R97-I164 HydrophobicContact CG-CG2 4.39Å; R97-I164 PolarHBondContact N-O 3.13Å; R97-I164 PolarHBondContact O-N 3.1Å; I99-I164 HydrophobicContact CD1-CG1 4.35Å; I99-I164 HydrophobicContact CG1-CD1 3.83Å; I99-I164 HydrophobicContact CG1-CG1 3.54Å
165L93.7Very high91.6Very high17 Ų1755.4 Ų55.49%0.08928%0.279CS..EExtended strand (participates in β ladder)trans-102.2113.6172.8-52.4-175.6000106.9I94 L95 L119 L154 A158 F163 I168I94-L165 HydrophobicContact CG2-CD2 3.81Å; L95-L165 CarbonylContact O-C 3.58Å; L95-L165 WeakPolarHBondContact O-CA 3.24Å; L119-L165 HydrophobicContact CD2-CD2 4.35Å; L154-L165 HydrophobicContact CB-CD1 4.11Å; L154-L165 HydrophobicContact CD2-CD1 3.89Å; L154-L165 HydrophobicContact CG-CD1 3.58Å; A158-L165 HydrophobicContact CB-CD1 3.57Å; A158-L165 HydrophobicContact CB-CD2 4.13Å; A158-L165 HydrophobicContact CB-CG 3.78Å; F163-L165 HydrophobicContact CB-CD2 4.47Å; L165-I168 HydrophobicContact CB-CD1 4Å; L165-I168 HydrophobicContact CB-CG1 4.34Å; L165-I168 HydrophobicContact CD1-CD1 3.64Å; L165-I168 HydrophobicContact CD1-CG1 4.41Å; L165-I168 HydrophobicContact CG-CD1 4.45Å
166D92.3Very high91.3Very high64 Ų6454.3 Ų54.334%0.34228%0.279SS..EExtended strand (participates in β ladder)trans-82.3-36.7-177.4-65.5-45.3000111.2S71 L95 R97S71-D166 WeakPolarHBondContact CB-OD2 3.26Å; S71-D166 PolarHBondContact OG-OD2 3.01Å; L95-D166 HydrophobicContact CB-CB 4.43Å; L95-D166 PolarHBondContact O-N 3.1Å; R97-D166 WeakPolarHBondContact CD-OD2 3.39Å; R97-D166 IonicContact CZ-OD1 3.91Å; R97-D166 VanDerWaalsContact CZ-OD1 3.22Å; R97-D166 IonicContact CZ-OD2 3.05Å; R97-D166 IonicContact NE-OD1 3.17Å; R97-D166 PolarHBondContact NE-OD1 2.82Å; R97-D166 IonicContact NE-OD2 3.22Å; R97-D166 PolarHBondContact NE-OD2 3.29Å; R97-D166 VanDerWaalsContact NE-OD2 3.17Å; R97-D166 IonicContact NH2-OD1 2.88Å; R97-D166 PolarHBondContact NH2-OD1 3.25Å
167D91.9Very high91.2Very high78 Ų7859.2 Ų59.242%0.41729%0.286SS..EExtended strand (participates in β ladder)trans-153.3146.1176.2-179.142000111.1L95L95-D167 HydrophobicContact CB-CB 4.22Å; L95-D167 HydrophobicContact CD1-CB 4.03Å; L95-D167 HydrophobicContact CG-CB 4.41Å; L95-D167 PolarHBondContact N-O 3.04Å
168I92.7Very high91Very high7 Ų763 Ų634%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-137118.3177-63.5156.9000107.8L92 R93 I94 V150 L154 L165L92-I168 HydrophobicContact CD1-CG2 3.58Å; L92-I168 HydrophobicContact CD2-CG2 4.32Å; L92-I168 HydrophobicContact CG-CG2 4.11Å; R93-I168 WeakPolarHBondContact O-CA 3.49Å; I94-I168 HydrophobicContact CG2-CG1 4.27Å; V150-I168 HydrophobicContact CG1-CG2 4.16Å; L154-I168 HydrophobicContact CB-CD1 4.06Å; L154-I168 HydrophobicContact CD2-CD1 3.87Å; L154-I168 HydrophobicContact CD2-CG1 4.37Å; L154-I168 HydrophobicContact CG-CD1 4.33Å; L165-I168 HydrophobicContact CB-CD1 4Å; L165-I168 HydrophobicContact CB-CG1 4.34Å; L165-I168 HydrophobicContact CD1-CD1 3.64Å; L165-I168 HydrophobicContact CD1-CG1 4.41Å; L165-I168 HydrophobicContact CG-CD1 4.45Å
169S91.8Very high90.9Very high32 Ų3264.9 Ų64.922%0.22432%0.316CS..EExtended strand (participates in β ladder)trans-128.8134.517946.70000111R93 T171R93-S169 PolarHBondContact N-O 2.87Å; R93-S169 PolarHBondContact O-N 2.96Å; S169-T171 PolarHBondContact O-N 2.94Å
170L92.1Very high90.8Very high2 Ų260.4 Ų60.41%0.0130%0.301CS..EExtended strand (participates in β ladder)trans-69.9130.3164.9-56.8171.3000106.8I90 L92 L127 R143 V146 S147I90-L170 HydrophobicContact CG2-CB 4.23Å; I90-L170 HydrophobicContact CG2-CD2 3.67Å; I90-L170 HydrophobicContact CG2-CG 4.47Å; L92-L170 HydrophobicContact CD1-CD2 3.54Å; L92-L170 HydrophobicContact CD1-CG 4.43Å; L127-L170 HydrophobicContact CD1-CD2 3.49Å; L127-L170 VanDerWaalsContact CD1-CD2 3.49Å; R143-L170 HydrophobicContact CG-CB 4.41Å; R143-L170 HydrophobicContact CG-CD1 4.27Å; R143-L170 PolarHBondContact NE-O 3.17Å; R143-L170 VanDerWaalsContact NE-O 3.12Å; R143-L170 PolarHBondContact NH2-O 3.39Å; V146-L170 HydrophobicContact CB-CD1 4.03Å; V146-L170 HydrophobicContact CG1-CD1 3.8Å; S147-L170 WeakPolarHBondContact OG-CD1 3.36Å; S147-L170 WeakPolarHBondContact OG-CG 3.41Å
171T89.8Confident90.9Very high25 Ų2557.7 Ų57.715%0.15329%0.29CS..EExtended strand (participates in β ladder)trans-127.1157174.168.80000109T91 R93 S169T91-T171 CarbonylContact C-O 3.58Å; T91-T171 WeakPolarHBondContact CA-O 3.32Å; T91-T171 WeakPolarHBondContact CB-O 3.3Å; T91-T171 WeakPolarHBondContact CB-OG1 3.41Å; T91-T171 PolarHBondContact N-O 3.25Å; T91-T171 CarbonylContact O-C 3.54Å; T91-T171 WeakPolarHBondContact O-CA 3.44Å; T91-T171 PolarHBondContact O-N 2.94Å; T91-T171 PolarHBondContact O-OG1 3.14Å; R93-T171 HydrophobicContact CB-CG2 3.77Å; S169-T171 PolarHBondContact O-N 2.94Å
172H85.9Confident90.9Very high140 Ų14055.7 Ų55.765%0.64829%0.289SS*.EExtended strand (participates in β ladder)trans4771.9177.3-55.591.9000113.2N89N89-H172 VanDerWaalsContact O-O 3.13Å
173L89.4Confident90.8Very high37 Ų3758.4 Ų58.419%0.19431%0.305CS..EExtended strand (participates in β ladder)trans-91.3111.3175.6-161.2161.4000108.6V88 I90 L139 F175V88-L173 HydrophobicContact CG1-CD2 3.64Å; V88-L173 HydrophobicContact CG1-CG 3.98Å; I90-L173 HydrophobicContact CG1-CG 4.29Å; L139-L173 HydrophobicContact CB-CD1 3.97Å; L173-F175 HydrophobicContact CD2-CD1 4.28Å; L173-F175 HydrophobicContact CD2-CD2 3.72Å; L173-F175 HydrophobicContact CD2-CE1 3.74Å; L173-F175 HydrophobicContact CD2-CE2 3.09Å; L173-F175 HydrophobicContact CD2-CG 4.27Å; L173-F175 HydrophobicContact CD2-CZ 3.12Å; L173-F175 HydrophobicContact CG-CZ 4.45Å
174T91.6Very high90.8Very high74 Ų7463.4 Ų63.445%0.45433%0.328SS..EExtended strand (participates in β ladder)trans-121.5132.4177.355.50000109.9N89N89-T174 WeakPolarHBondContact CB-OG1 3.32Å; N89-T174 PolarHBondContact N-O 2.94Å; N89-T174 PolarHBondContact O-N 3.29Å; N89-T174 PolarHBondContact O-OG1 3.14Å
175F91.3Very high90.9Very high32 Ų3266.9 Ų66.914%0.1435%0.345CS..EExtended strand (participates in β ladder)trans-96.5166.9173.8-60.2-84.8000110.4V88 A136 L139 I140 L173 F179V88-F175 HydrophobicContact CG1-CD1 4.1Å; V88-F175 HydrophobicContact CG1-CE1 4Å; V88-F175 HydrophobicContact CG2-CD1 3.86Å; V88-F175 HydrophobicContact CG2-CE1 3.9Å; A136-F175 HydrophobicContact CB-CD1 4.06Å; A136-F175 HydrophobicContact CB-CE1 3.65Å; A136-F175 WeakPolarHBondContact O-CE1 3.42Å; A136-F175 VanDerWaalsContact O-CZ 3.26Å; A136-F175 WeakPolarHBondContact O-CZ 3.36Å; L139-F175 HydrophobicContact CB-CZ 4.21Å; L139-F175 HydrophobicContact CD1-CE1 4.35Å; I140-F175 HydrophobicContact CD1-CD2 4.41Å; I140-F175 HydrophobicContact CD1-CE2 3.6Å; I140-F175 HydrophobicContact CD1-CZ 3.95Å; I140-F175 HydrophobicContact CG1-CE2 3.39Å; I140-F175 HydrophobicContact CG1-CZ 3.49Å; I140-F175 VanDerWaalsContact CG1-CZ 3.49Å; L173-F175 HydrophobicContact CD2-CD1 4.28Å; L173-F175 HydrophobicContact CD2-CD2 3.72Å; L173-F175 HydrophobicContact CD2-CE1 3.74Å; L173-F175 HydrophobicContact CD2-CE2 3.09Å; L173-F175 HydrophobicContact CD2-CG 4.27Å; L173-F175 HydrophobicContact CD2-CZ 3.12Å; L173-F175 HydrophobicContact CG-CZ 4.45Å; F175-F179 HydrophobicContact CB-CB 4.42Å; F175-F179 HydrophobicContact CB-CD1 3.67Å; F175-F179 HydrophobicContact CB-CE1 4.43Å; F175-F179 HydrophobicContact CB-CG 4.42Å; F175-F179 AromaticContact CD1-CD1 3.97Å; F175-F179 HydrophobicContact CD1-CD1 3.97Å; F175-F179 AromaticContact CD1-CE1 4Å; F175-F179 HydrophobicContact CD1-CE1 4Å; F175-F179 HydrophobicContact CD2-CD1 4.29Å; F175-F179 HydrophobicContact CD2-CE1 4.3Å; F175-F179 HydrophobicContact CE1-CE1 4.31Å; F175-F179 AromaticContact CG-CD1 3.72Å; F175-F179 HydrophobicContact CG-CD1 3.72Å; F175-F179 AromaticContact CG-CE1 3.99Å; F175-F179 HydrophobicContact CG-CE1 3.99Å
176G88.9Confident90.8Very high30 Ų3073.4 Ų73.431%0.30937%0.373SS..  trans-49.9147.3166.600000112.4N87 E178 F179 T180N87-G176 PolarHBondContact O-N 3.38Å; G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 3.26Å; G176-F179 PolarHBondContact O-N 2.91Å; G176-T180 PolarHBondContact O-N 2.95Å; G176-T180 VanDerWaalsContact O-N 3.08Å; G176-T180 PolarHBondContact O-OG1 2.91Å; G176-T180 VanDerWaalsContact O-OG1 3.05Å
177R90.2Very high90.8Very high201 Ų20175 Ų7576%0.75838%0.378SS*.Hα-helixtrans-57.9-41.9-178-170.7179.773.9-1732.7112.1T180 L181R177-T180 PolarHBondContact O-N 3.4Å; R177-L181 HydrophobicContact CG-CD1 4.05Å; R177-L181 HydrophobicContact CG-CG 4.42Å; R177-L181 WeakPolarHBondContact O-CB 3.35Å; R177-L181 VanDerWaalsContact O-CG 3.27Å; R177-L181 WeakPolarHBondContact O-CG 3.49Å; R177-L181 PolarHBondContact O-N 3.19Å
178E89.9Confident91Very high162 Ų16274.7 Ų74.776%0.75738%0.379SS*.Hα-helixtrans-63.8-42-178.9-63.4-179.5171.400112.2G176 A182G176-E178 VanDerWaalsContact C-N 3.29Å; G176-E178 PolarHBondContact O-N 3.26Å; E178-A182 VanDerWaalsContact O-CB 3.31Å; E178-A182 WeakPolarHBondContact O-CB 3.24Å; E178-A182 PolarHBondContact O-N 2.49Å
179F89.9Confident91.1Very high39 Ų3977 Ų7717%0.17140%0.399CS..Hα-helixtrans-65.1-46.4176.5-178-96.4000111.5Q86 A136 I140 F175 G176 L181 A182 V183Q86-F179 HydrophobicContact CG-CD2 4.04Å; Q86-F179 HydrophobicContact CG-CE2 4.4Å; A136-F179 HydrophobicContact CB-CE1 3.96Å; A136-F179 HydrophobicContact CB-CE2 3.96Å; A136-F179 HydrophobicContact CB-CZ 3.53Å; I140-F179 HydrophobicContact CD1-CE1 4.48Å; F175-F179 HydrophobicContact CB-CB 4.42Å; F175-F179 HydrophobicContact CB-CD1 3.67Å; F175-F179 HydrophobicContact CB-CE1 4.43Å; F175-F179 HydrophobicContact CB-CG 4.42Å; F175-F179 AromaticContact CD1-CD1 3.97Å; F175-F179 HydrophobicContact CD1-CD1 3.97Å; F175-F179 AromaticContact CD1-CE1 4Å; F175-F179 HydrophobicContact CD1-CE1 4Å; F175-F179 HydrophobicContact CD2-CD1 4.29Å; F175-F179 HydrophobicContact CD2-CE1 4.3Å; F175-F179 HydrophobicContact CE1-CE1 4.31Å; F175-F179 AromaticContact CG-CD1 3.72Å; F175-F179 HydrophobicContact CG-CD1 3.72Å; F175-F179 AromaticContact CG-CE1 3.99Å; F175-F179 HydrophobicContact CG-CE1 3.99Å; G176-F179 PolarHBondContact O-N 2.91Å; F179-L181 PolarHBondContact O-N 3.29Å; F179-A182 PolarHBondContact O-N 3.48Å; F179-V183 HydrophobicContact CD1-CG2 4.07Å; F179-V183 HydrophobicContact CE1-CG2 3.67Å; F179-V183 HydrophobicContact CE2-CG2 4.18Å; F179-V183 HydrophobicContact CG-CG2 4.5Å; F179-V183 HydrophobicContact CZ-CG2 3.73Å; F179-V183 WeakPolarHBondContact O-CG2 3.27Å; F179-V183 PolarHBondContact O-N 3.44Å
180T89.7Confident91.2Very high50 Ų5081.4 Ų81.431%0.30742%0.416SS..Hα-helixtrans-59.2-47.8179.2-52.40000110.8G176 R177 A182 V183 E184G176-T180 PolarHBondContact O-N 2.95Å; G176-T180 VanDerWaalsContact O-N 3.08Å; G176-T180 PolarHBondContact O-OG1 2.91Å; G176-T180 VanDerWaalsContact O-OG1 3.05Å; R177-T180 PolarHBondContact O-N 3.4Å; T180-A182 PolarHBondContact O-N 3.08Å; T180-V183 PolarHBondContact O-N 2.9Å; T180-E184 WeakPolarHBondContact O-CB 3.49Å; T180-E184 WeakPolarHBondContact O-CG 3.3Å; T180-E184 PolarHBondContact O-N 3.36Å
181L92.6Very high91.4Very high82 Ų8285.4 Ų85.443%0.42943%0.434SS..Hα-helixtrans-61.8-41.8176.2-69.8173.8000112.1R177 F179 E184 M185R177-L181 HydrophobicContact CG-CD1 4.05Å; R177-L181 HydrophobicContact CG-CG 4.42Å; R177-L181 WeakPolarHBondContact O-CB 3.35Å; R177-L181 VanDerWaalsContact O-CG 3.27Å; R177-L181 WeakPolarHBondContact O-CG 3.49Å; R177-L181 PolarHBondContact O-N 3.19Å; F179-L181 PolarHBondContact O-N 3.29Å; L181-E184 PolarHBondContact O-N 2.73Å; L181-M185 WeakPolarHBondContact O-CB 3.45Å; L181-M185 WeakPolarHBondContact O-CE 3.33Å; L181-M185 VanDerWaalsContact O-CG 3.3Å; L181-M185 WeakPolarHBondContact O-CG 3.32Å; L181-M185 PolarHBondContact O-N 3.45Å
182A90.3Very high91.7Very high39 Ų3990 Ų9032%0.32245%0.454SS..Hα-helixtrans-65-39.1178.800000112.6E178 F179 T180 K186E178-A182 VanDerWaalsContact O-CB 3.31Å; E178-A182 WeakPolarHBondContact O-CB 3.24Å; E178-A182 PolarHBondContact O-N 2.49Å; F179-A182 PolarHBondContact O-N 3.48Å; T180-A182 PolarHBondContact O-N 3.08Å; A182-K186 WeakPolarHBondContact O-CG 3.48Å; A182-K186 PolarHBondContact O-N 3.42Å
183V89Confident92.1Very high57 Ų5785.9 Ų85.935%0.34544%0.444SS..Hα-helixtrans-68.1-44.8176.1172.30000110.8F179 T180 M185 K186 Q187F179-V183 HydrophobicContact CD1-CG2 4.07Å; F179-V183 HydrophobicContact CE1-CG2 3.67Å; F179-V183 HydrophobicContact CE2-CG2 4.18Å; F179-V183 HydrophobicContact CG-CG2 4.5Å; F179-V183 HydrophobicContact CZ-CG2 3.73Å; F179-V183 WeakPolarHBondContact O-CG2 3.27Å; F179-V183 PolarHBondContact O-N 3.44Å; T180-V183 PolarHBondContact O-N 2.9Å; V183-M185 PolarHBondContact O-N 3.36Å; V183-K186 PolarHBondContact O-N 3.48Å; V183-Q187 WeakPolarHBondContact O-CB 3.31Å; V183-Q187 PolarHBondContact O-N 3.12Å
184E91.1Very high92.5Very high108 Ų10890.4 Ų90.451%0.50546%0.464SS..Hα-helixtrans-59.5-46.4175.9-73.8175.1175.800111.5T180 L181 K186 Q187 V188T180-E184 WeakPolarHBondContact O-CB 3.49Å; T180-E184 WeakPolarHBondContact O-CG 3.3Å; T180-E184 PolarHBondContact O-N 3.36Å; L181-E184 PolarHBondContact O-N 2.73Å; E184-K186 PolarHBondContact O-N 3.27Å; E184-Q187 PolarHBondContact O-N 2.99Å; E184-V188 WeakPolarHBondContact O-CG2 3.26Å; E184-V188 PolarHBondContact O-N 3.44Å
185M95Very high92.7Very high128 Ų12893.4 Ų93.463%0.63147%0.471SS*.Hα-helixtrans-61.5-42177-74.7-172.8-68.700112.5L181 V183 V188 A189L181-M185 WeakPolarHBondContact O-CB 3.45Å; L181-M185 WeakPolarHBondContact O-CE 3.33Å; L181-M185 VanDerWaalsContact O-CG 3.3Å; L181-M185 WeakPolarHBondContact O-CG 3.32Å; L181-M185 PolarHBondContact O-N 3.45Å; V183-M185 PolarHBondContact O-N 3.36Å; M185-V188 PolarHBondContact O-N 3.27Å; M185-A189 WeakPolarHBondContact O-CB 3.42Å; M185-A189 PolarHBondContact O-N 2.96Å
186K91.6Very high92.9Very high155 Ų15594.5 Ų94.567%0.67449%0.487SS*.Hα-helixtrans-63.3-42.1175.3-77.1178-180-179.40111.8A182 V183 E184 A189 Q190A182-K186 WeakPolarHBondContact O-CG 3.48Å; A182-K186 PolarHBondContact O-N 3.42Å; V183-K186 PolarHBondContact O-N 3.48Å; E184-K186 PolarHBondContact O-N 3.27Å; K186-A189 PolarHBondContact O-N 2.92Å; K186-Q190 WeakPolarHBondContact O-CB 3.31Å; K186-Q190 PolarHBondContact O-N 3.33Å
187Q92.1Very high93.3Very high96 Ų96102.3 Ų102.345%0.44951%0.507SS..Hα-helixtrans-64.3-43.5179-171.166.418.500111.4V183 E184 Q190 Q191V183-Q187 WeakPolarHBondContact O-CB 3.31Å; V183-Q187 PolarHBondContact O-N 3.12Å; E184-Q187 PolarHBondContact O-N 2.99Å; Q187-Q190 PolarHBondContact O-N 3.38Å; Q187-Q191 VanDerWaalsContact O-CG 3.32Å; Q187-Q191 WeakPolarHBondContact O-CG 3.44Å; Q187-Q191 PolarHBondContact O-N 2.89Å
188V95.3Very high93.6Very high72 Ų7299 Ų9944%0.43650%0.498SS..Hα-helixtrans-61.8-48.9175.6172.20000110.5E184 M185 Q190 Q191 E192E184-V188 WeakPolarHBondContact O-CG2 3.26Å; E184-V188 PolarHBondContact O-N 3.44Å; M185-V188 PolarHBondContact O-N 3.27Å; V188-Q190 VanDerWaalsContact C-N 3.3Å; V188-Q190 PolarHBondContact O-N 3.25Å; V188-Q191 PolarHBondContact O-N 3.45Å; V188-E192 HydrophobicContact CG1-CG 4.41Å; V188-E192 WeakPolarHBondContact O-CG 3.16Å; V188-E192 PolarHBondContact O-N 2.94Å
189A95.4Very high93.9Very high55 Ų5595.9 Ų95.946%0.45549%0.49SS..Hα-helixtrans-60.5-38.7178.400000112.6M185 K186 E192 A193M185-A189 WeakPolarHBondContact O-CB 3.42Å; M185-A189 PolarHBondContact O-N 2.96Å; K186-A189 PolarHBondContact O-N 2.92Å; A189-E192 PolarHBondContact O-N 3.39Å; A189-A193 WeakPolarHBondContact O-CB 3.43Å; A189-A193 PolarHBondContact O-N 2.81Å
190Q94.9Very high94.2Very high125 Ų12598 Ų9858%0.58451%0.505SS*.Hα-helixtrans-66.6-42.6176.5-175.6171-10.500111.9K186 Q187 V188 A193 E194K186-Q190 WeakPolarHBondContact O-CB 3.31Å; K186-Q190 PolarHBondContact O-N 3.33Å; Q187-Q190 PolarHBondContact O-N 3.38Å; V188-Q190 VanDerWaalsContact C-N 3.3Å; V188-Q190 PolarHBondContact O-N 3.25Å; Q190-A193 PolarHBondContact O-N 2.79Å; Q190-E194 WeakPolarHBondContact O-CB 3.42Å; Q190-E194 PolarHBondContact O-N 2.63Å
191Q95.2Very high94.5Very high86 Ų86100.9 Ų100.940%0.40252%0.515SS..Hα-helixtrans-65.6-38175.4-73178.53.200112.3Q187 V188 E194 K195Q187-Q191 VanDerWaalsContact O-CG 3.32Å; Q187-Q191 WeakPolarHBondContact O-CG 3.44Å; Q187-Q191 PolarHBondContact O-N 2.89Å; V188-Q191 PolarHBondContact O-N 3.45Å; Q191-E194 PolarHBondContact O-N 3.02Å; Q191-K195 WeakPolarHBondContact O-CB 3.37Å; Q191-K195 VanDerWaalsContact O-CG 3.26Å; Q191-K195 WeakPolarHBondContact O-CG 3.44Å; Q191-K195 PolarHBondContact O-N 2.84Å
192E96.1Very high94.7Very high122 Ų122102.4 Ų102.457%0.5752%0.519SS*.Hα-helixtrans-64.4-43.5174.9-74.8178.6177.100111.6V188 A189 K195 A196V188-E192 HydrophobicContact CG1-CG 4.41Å; V188-E192 WeakPolarHBondContact O-CG 3.16Å; V188-E192 PolarHBondContact O-N 2.94Å; A189-E192 PolarHBondContact O-N 3.39Å; E192-K195 PolarHBondContact O-N 3.49Å; E192-A196 WeakPolarHBondContact O-CB 3.45Å; E192-A196 PolarHBondContact O-N 3.23Å
193A95.5Very high94.9Very high53 Ų53103 Ų10344%0.43852%0.524SS..Hα-helixtrans-63.4-40.4175.100000112.2A189 Q190 A196 R197A189-A193 WeakPolarHBondContact O-CB 3.43Å; A189-A193 PolarHBondContact O-N 2.81Å; Q190-A193 PolarHBondContact O-N 2.79Å; A193-A196 PolarHBondContact O-N 2.88Å; A193-R197 WeakPolarHBondContact O-CG 3.46Å; A193-R197 PolarHBondContact O-N 3.27Å
194E96.4Very high95.3Very high132 Ų132105.8 Ų105.862%0.61753%0.533SS*.Hα-helixtrans-65.4-43.8175.9-172.4174.5-174.700111.8Q190 Q191 A196 R197 F198Q190-E194 WeakPolarHBondContact O-CB 3.42Å; Q190-E194 PolarHBondContact O-N 2.63Å; Q191-E194 PolarHBondContact O-N 3.02Å; E194-A196 VanDerWaalsContact C-N 3.35Å; E194-A196 PolarHBondContact O-N 3.49Å; E194-R197 PolarHBondContact O-N 3.25Å; E194-F198 WeakPolarHBondContact O-CB 3.31Å; E194-F198 PolarHBondContact O-N 2.73Å
195K96.4Very high95.5Very high137 Ų137105.8 Ų105.860%0.59653%0.533SS*.Hα-helixtrans-60-44.2173-74.9171.8-176.7173.80111.7Q191 E192 R197 F198 V199Q191-K195 WeakPolarHBondContact O-CB 3.37Å; Q191-K195 VanDerWaalsContact O-CG 3.26Å; Q191-K195 WeakPolarHBondContact O-CG 3.44Å; Q191-K195 PolarHBondContact O-N 2.84Å; E192-K195 PolarHBondContact O-N 3.49Å; K195-R197 VanDerWaalsContact C-N 3.34Å; K195-R197 PolarHBondContact O-N 3.46Å; K195-F198 PolarHBondContact O-N 2.91Å; K195-V199 VanDerWaalsContact O-CG2 3.29Å; K195-V199 WeakPolarHBondContact O-CG2 3.35Å; K195-V199 PolarHBondContact O-N 3.39Å
196A96Very high95.5Very high56 Ų56105.5 Ų105.546%0.46353%0.53SS..Hα-helixtrans-61.8-42.4177.800000111.5E192 A193 E194 V199 V200E192-A196 WeakPolarHBondContact O-CB 3.45Å; E192-A196 PolarHBondContact O-N 3.23Å; A193-A196 PolarHBondContact O-N 2.88Å; E194-A196 VanDerWaalsContact C-N 3.35Å; E194-A196 PolarHBondContact O-N 3.49Å; A196-V199 PolarHBondContact O-N 3.45Å; A196-V200 WeakPolarHBondContact O-CG2 3.44Å; A196-V200 PolarHBondContact O-N 3.43Å; A196-V200 VanDerWaalsContact O-N 3.09Å
197R96.1Very high95.7Very high194 Ų194104.7 Ų104.773%0.73253%0.526SS*.Hα-helixtrans-61.9-45.9173.7-74178.5178.4-164.8-0.3112.1A193 E194 K195 V199 V200 E201A193-R197 WeakPolarHBondContact O-CG 3.46Å; A193-R197 PolarHBondContact O-N 3.27Å; E194-R197 PolarHBondContact O-N 3.25Å; K195-R197 VanDerWaalsContact C-N 3.34Å; K195-R197 PolarHBondContact O-N 3.46Å; R197-V199 VanDerWaalsContact C-N 3.28Å; R197-V199 PolarHBondContact O-N 2.88Å; R197-V200 PolarHBondContact O-N 2.94Å; R197-E201 WeakPolarHBondContact O-CB 3.47Å; R197-E201 PolarHBondContact O-N 3.38Å
198F96.5Very high95.9Very high132 Ų132104.3 Ų104.358%0.57953%0.527SS*.Hα-helixtrans-61.3-36.7177.4-177.5-101.1000112.3E194 K195 K202E194-F198 WeakPolarHBondContact O-CB 3.31Å; E194-F198 PolarHBondContact O-N 2.73Å; K195-F198 PolarHBondContact O-N 2.91Å; F198-K202 HydrophobicContact CE1-CD 4.48Å; F198-K202 WeakPolarHBondContact O-CB 3.26Å; F198-K202 PolarHBondContact O-N 3.39Å
199V96.7Very high95.9Very high95 Ų95103.3 Ų103.358%0.57653%0.527SS*.Hα-helixtrans-65.9-42.6175.2170.60000111.4K195 A196 R197 A203K195-V199 VanDerWaalsContact O-CG2 3.29Å; K195-V199 WeakPolarHBondContact O-CG2 3.35Å; K195-V199 PolarHBondContact O-N 3.39Å; A196-V199 PolarHBondContact O-N 3.45Å; R197-V199 VanDerWaalsContact C-N 3.28Å; R197-V199 PolarHBondContact O-N 2.88Å; V199-A203 WeakPolarHBondContact O-CB 3.47Å; V199-A203 PolarHBondContact O-N 2.91Å
200V95.3Very high95.9Very high83 Ų83104 Ų10450%0.50353%0.528SS..Hα-helixtrans-65.3-48176.8173.80000110.9A196 R197 K202 A203 E204A196-V200 WeakPolarHBondContact O-CG2 3.44Å; A196-V200 PolarHBondContact O-N 3.43Å; A196-V200 VanDerWaalsContact O-N 3.09Å; R197-V200 PolarHBondContact O-N 2.94Å; V200-K202 PolarHBondContact O-N 3.34Å; V200-A203 WeakPolarHBondContact O-CB 3.43Å; V200-A203 PolarHBondContact O-N 3.47Å; V200-A203 VanDerWaalsContact O-N 3.11Å; V200-E204 WeakPolarHBondContact O-CG 3.33Å; V200-E204 PolarHBondContact O-N 2.92Å
201E96.3Very high96Very high111 Ų111101.4 Ų101.452%0.51952%0.518SS..Hα-helixtrans-61.6-43.5178.3-175.4176.9-174.600111.4R197 A203 E204 Q205R197-E201 WeakPolarHBondContact O-CB 3.47Å; R197-E201 PolarHBondContact O-N 3.38Å; E201-A203 VanDerWaalsContact C-N 3.3Å; E201-A203 PolarHBondContact O-N 2.98Å; E201-E204 PolarHBondContact O-N 3.19Å; E201-Q205 HydrophobicContact CG-CG 4.46Å; E201-Q205 WeakPolarHBondContact O-CB 3.1Å; E201-Q205 VanDerWaalsContact O-CG 3.31Å; E201-Q205 WeakPolarHBondContact O-CG 3.14Å; E201-Q205 PolarHBondContact O-N 3.4Å
202K96.8Very high96Very high115 Ų115102.7 Ų102.750%0.553%0.526SS..Hα-helixtrans-59.4-41.2174.1-176.6178179.2-179.30111.6F198 V200 Q206F198-K202 HydrophobicContact CE1-CD 4.48Å; F198-K202 WeakPolarHBondContact O-CB 3.26Å; F198-K202 PolarHBondContact O-N 3.39Å; V200-K202 PolarHBondContact O-N 3.34Å; K202-Q206 WeakPolarHBondContact O-CB 3.2Å; K202-Q206 WeakPolarHBondContact O-CG 3.28Å; K202-Q206 PolarHBondContact O-N 2.82Å
203A96Very high95.9Very high52 Ų52100.2 Ų100.243%0.4352%0.522SS..Hα-helixtrans-67.3-37.8177.300000112.2V199 V200 E201 Q206 K207V199-A203 WeakPolarHBondContact O-CB 3.47Å; V199-A203 PolarHBondContact O-N 2.91Å; V200-A203 WeakPolarHBondContact O-CB 3.43Å; V200-A203 PolarHBondContact O-N 3.47Å; V200-A203 VanDerWaalsContact O-N 3.11Å; E201-A203 VanDerWaalsContact C-N 3.3Å; E201-A203 PolarHBondContact O-N 2.98Å; A203-Q206 PolarHBondContact O-N 2.84Å; A203-K207 WeakPolarHBondContact O-CB 3.34Å; A203-K207 PolarHBondContact O-N 3.47Å
204E96.1Very high95.9Very high115 Ų115100.4 Ų100.454%0.53752%0.524SS..Hα-helixtrans-66.1-46.2174.4-72.7179.9173.500111.9V200 E201 Q206 K207 L208V200-E204 WeakPolarHBondContact O-CG 3.33Å; V200-E204 PolarHBondContact O-N 2.92Å; E201-E204 PolarHBondContact O-N 3.19Å; E204-Q206 VanDerWaalsContact C-N 3.32Å; E204-Q206 PolarHBondContact O-N 2.89Å; E204-K207 WeakPolarHBondContact O-CB 3.37Å; E204-K207 PolarHBondContact O-N 3.23Å; E204-K207 VanDerWaalsContact O-N 3.17Å; E204-L208 WeakPolarHBondContact O-CG 3.39Å; E204-L208 PolarHBondContact O-N 3.37Å
205Q95.7Very high95.8Very high108 Ų10899.7 Ų99.751%0.50552%0.521SS..Hα-helixtrans-61.8-40.1175.3-68.2-60.5-31.900111.6E201 K207 L208 A209E201-Q205 HydrophobicContact CG-CG 4.46Å; E201-Q205 WeakPolarHBondContact O-CB 3.1Å; E201-Q205 VanDerWaalsContact O-CG 3.31Å; E201-Q205 WeakPolarHBondContact O-CG 3.14Å; E201-Q205 PolarHBondContact O-N 3.4Å; Q205-K207 VanDerWaalsContact C-N 3.35Å; Q205-K207 PolarHBondContact O-N 3.44Å; Q205-L208 PolarHBondContact O-N 3.06Å; Q205-A209 VanDerWaalsContact O-CB 3.27Å; Q205-A209 WeakPolarHBondContact O-CB 3.39Å; Q205-A209 PolarHBondContact O-N 3.31Å
206Q95.9Very high95.8Very high121 Ų12194.8 Ų94.857%0.56551%0.509SS*.Hα-helixtrans-63.6-39.1174.1-77.6177.6-18.100112.5K202 A203 E204 S210K202-Q206 WeakPolarHBondContact O-CB 3.2Å; K202-Q206 WeakPolarHBondContact O-CG 3.28Å; K202-Q206 PolarHBondContact O-N 2.82Å; A203-Q206 PolarHBondContact O-N 2.84Å; E204-Q206 VanDerWaalsContact C-N 3.32Å; E204-Q206 PolarHBondContact O-N 2.89Å; Q206-S210 PolarHBondContact O-N 3.42Å; Q206-S210 PolarHBondContact O-OG 2.97Å
207K95.7Very high95.7Very high138 Ų13897.6 Ų97.660%0.652%0.516SS*.Hα-helixtrans-67.3-41.8175.3-177.8-175.9175.8-173.70112A203 E204 Q205 S210 I211A203-K207 WeakPolarHBondContact O-CB 3.34Å; A203-K207 PolarHBondContact O-N 3.47Å; E204-K207 WeakPolarHBondContact O-CB 3.37Å; E204-K207 PolarHBondContact O-N 3.23Å; E204-K207 VanDerWaalsContact O-N 3.17Å; Q205-K207 VanDerWaalsContact C-N 3.35Å; Q205-K207 PolarHBondContact O-N 3.44Å; K207-S210 PolarHBondContact O-N 2.77Å; K207-S210 PolarHBondContact O-OG 2.84Å; K207-I211 HydrophobicContact CG-CD1 4.19Å; K207-I211 WeakPolarHBondContact O-CG1 3.1Å; K207-I211 PolarHBondContact O-N 3.21Å; K207-I211 VanDerWaalsContact O-N 3.09Å
208L95.6Very high95.6Very high88 Ų8891.5 Ų91.546%0.46151%0.507SS..Hα-helixtrans-65.7-43.2175.6-71173.7000111E204 Q205 S210 I211 I212E204-L208 WeakPolarHBondContact O-CG 3.39Å; E204-L208 PolarHBondContact O-N 3.37Å; Q205-L208 PolarHBondContact O-N 3.06Å; L208-S210 VanDerWaalsContact C-N 3.27Å; L208-S210 PolarHBondContact O-N 2.83Å; L208-I211 PolarHBondContact O-N 2.69Å; L208-I212 WeakPolarHBondContact O-CB 3.21Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.23Å; L208-I212 PolarHBondContact O-N 2.99Å
209A95.5Very high95.5Very high52 Ų5292.4 Ų92.443%0.4351%0.513SS..Hα-helixtrans-59.3-38.517600000112Q205 S213Q205-A209 VanDerWaalsContact O-CB 3.27Å; Q205-A209 WeakPolarHBondContact O-CB 3.39Å; Q205-A209 PolarHBondContact O-N 3.31Å; A209-S213 VanDerWaalsContact O-CB 3.32Å; A209-S213 WeakPolarHBondContact O-CB 3.46Å; A209-S213 PolarHBondContact O-N 3.19Å; A209-S213 PolarHBondContact O-OG 3.48Å
210S96.2Very high95.3Very high70 Ų7090.1 Ų90.149%0.4950%0.504SS..Hα-helixtrans-71.2-37.1177.267.20000113Q206 K207 L208 A214Q206-S210 PolarHBondContact O-N 3.42Å; Q206-S210 PolarHBondContact O-OG 2.97Å; K207-S210 PolarHBondContact O-N 2.77Å; K207-S210 PolarHBondContact O-OG 2.84Å; L208-S210 VanDerWaalsContact C-N 3.27Å; L208-S210 PolarHBondContact O-N 2.83Å; S210-A214 WeakPolarHBondContact O-CB 3.25Å; S210-A214 PolarHBondContact O-N 2.93Å
211I96.3Very high95.1Very high70 Ų7088.9 Ų88.936%0.35950%0.503SS..Hα-helixtrans-66.5-49.6174.6-66.5166.3000110.7K207 L208 S213 A214 E215K207-I211 HydrophobicContact CG-CD1 4.19Å; K207-I211 WeakPolarHBondContact O-CG1 3.1Å; K207-I211 PolarHBondContact O-N 3.21Å; K207-I211 VanDerWaalsContact O-N 3.09Å; L208-I211 PolarHBondContact O-N 2.69Å; I211-S213 VanDerWaalsContact C-N 3.28Å; I211-S213 PolarHBondContact O-N 3.44Å; I211-A214 PolarHBondContact O-N 2.85Å; I211-A214 VanDerWaalsContact O-N 3.12Å; I211-E215 HydrophobicContact CG2-CG 4.34Å; I211-E215 WeakPolarHBondContact O-CG 3.27Å; I211-E215 PolarHBondContact O-N 3.39Å
212I95.6Very high94.8Very high112 Ų11285.1 Ų85.157%0.57449%0.494SS*.Hα-helixtrans-60.6-39.1178.9-67.4167.3000110.8L208 G216L208-I212 WeakPolarHBondContact O-CB 3.21Å; L208-I212 VanDerWaalsContact O-CG1 3.3Å; L208-I212 WeakPolarHBondContact O-CG1 3.23Å; L208-I212 PolarHBondContact O-N 2.99Å; I212-G216 PolarHBondContact O-N 3.38Å
213S93.9Very high94.4Very high71 Ų7185 Ų8550%0.49750%0.498SS..Hα-helixtrans-64.6-43.5175.7-57.60000111.3A209 I211 G216 D217A209-S213 VanDerWaalsContact O-CB 3.32Å; A209-S213 WeakPolarHBondContact O-CB 3.46Å; A209-S213 PolarHBondContact O-N 3.19Å; A209-S213 PolarHBondContact O-OG 3.48Å; I211-S213 VanDerWaalsContact C-N 3.28Å; I211-S213 PolarHBondContact O-N 3.44Å; S213-G216 PolarHBondContact O-N 2.87Å; S213-D217 WeakPolarHBondContact O-CB 3.31Å; S213-D217 PolarHBondContact O-N 3.47Å
214A95.4Very high93.9Very high57 Ų5786.8 Ų86.847%0.47150%0.5SS..Hα-helixtrans-68.6-38178.700000113.2S210 I211 D217 A218S210-A214 WeakPolarHBondContact O-CB 3.25Å; S210-A214 PolarHBondContact O-N 2.93Å; I211-A214 PolarHBondContact O-N 2.85Å; I211-A214 VanDerWaalsContact O-N 3.12Å; A214-D217 PolarHBondContact O-N 3.11Å; A214-A218 WeakPolarHBondContact O-CB 3.3Å; A214-A218 PolarHBondContact O-N 3Å
215E95Very high93.4Very high117 Ų11784.2 Ų84.255%0.54750%0.498SS..Hα-helixtrans-66.5-43.1172.3-73.4177.4171.400111I211 D217 A218 E219I211-E215 HydrophobicContact CG2-CG 4.34Å; I211-E215 WeakPolarHBondContact O-CG 3.27Å; I211-E215 PolarHBondContact O-N 3.39Å; E215-D217 VanDerWaalsContact C-N 3.3Å; E215-D217 PolarHBondContact O-N 3.5Å; E215-A218 PolarHBondContact O-N 2.85Å; E215-A218 VanDerWaalsContact O-N 3.15Å; E215-E219 WeakPolarHBondContact O-CB 3.49Å; E215-E219 WeakPolarHBondContact O-CG 3.32Å; E215-E219 PolarHBondContact O-N 3.21Å
216G96.1Very high92.9Very high34 Ų3486.2 Ų86.235%0.35151%0.505SS..Hα-helixtrans-57.9-41.8172.800000112.2I212 S213 A220I212-G216 PolarHBondContact O-N 3.38Å; S213-G216 PolarHBondContact O-N 2.87Å; G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 2.88Å
217D93.9Very high92.3Very high115 Ų11582.9 Ų82.962%0.61550%0.495SS*.Hα-helixtrans-65.8-40.5174.4-72.1-20.9000111.8S213 A214 E215 A221S213-D217 WeakPolarHBondContact O-CB 3.31Å; S213-D217 PolarHBondContact O-N 3.47Å; A214-D217 PolarHBondContact O-N 3.11Å; E215-D217 VanDerWaalsContact C-N 3.3Å; E215-D217 PolarHBondContact O-N 3.5Å; D217-A221 WeakPolarHBondContact O-CB 3.36Å; D217-A221 PolarHBondContact O-N 3.36Å
218A94.2Very high91.6Very high66 Ų6679.5 Ų79.555%0.54548%0.481SS..Hα-helixtrans-69.1-42.2178.300000112.5A214 E215 A221 G222A214-A218 WeakPolarHBondContact O-CB 3.3Å; A214-A218 PolarHBondContact O-N 3Å; E215-A218 PolarHBondContact O-N 2.85Å; E215-A218 VanDerWaalsContact O-N 3.15Å; A218-A221 PolarHBondContact O-N 3.34Å; A218-G222 PolarHBondContact O-N 3.28Å
219E93.3Very high90.8Very high151 Ų15178.3 Ų78.371%0.70649%0.49SS*.Hα-helixtrans-67.6-42.4174.1-73.8-168.9168.800111.5E215 A221 G222 L223E215-E219 WeakPolarHBondContact O-CB 3.49Å; E215-E219 WeakPolarHBondContact O-CG 3.32Å; E215-E219 PolarHBondContact O-N 3.21Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.92Å; E219-G222 PolarHBondContact O-N 2.89Å; E219-L223 WeakPolarHBondContact O-CB 3.15Å; E219-L223 PolarHBondContact O-N 3.44Å
220A92.7Very high89.9Confident47 Ų4784.1 Ų84.139%0.38851%0.508SS..Hα-helixtrans-59.7-45.417300000110.7G216 G222 L223 L224G216-A220 WeakPolarHBondContact O-CB 3.5Å; G216-A220 PolarHBondContact O-N 2.88Å; A220-G222 PolarHBondContact O-N 3.17Å; A220-L223 PolarHBondContact O-N 3.09Å; A220-L224 VanDerWaalsContact O-CB 3.24Å; A220-L224 WeakPolarHBondContact O-CB 3.16Å; A220-L224 WeakPolarHBondContact O-CG 3.21Å; A220-L224 PolarHBondContact O-N 2.97Å
221A90.6Very high88.5Confident57 Ų5783.6 Ų83.647%0.47151%0.508SS..Hα-helixtrans-62.1-41.2174.600000112.1D217 A218 E219 A225D217-A221 WeakPolarHBondContact O-CB 3.36Å; D217-A221 PolarHBondContact O-N 3.36Å; A218-A221 PolarHBondContact O-N 3.34Å; E219-A221 VanDerWaalsContact C-N 3.34Å; E219-A221 PolarHBondContact O-N 2.92Å; A221-A225 VanDerWaalsContact O-CB 3.28Å; A221-A225 WeakPolarHBondContact O-CB 3.35Å; A221-A225 PolarHBondContact O-N 2.89Å
222G90.5Very high87.3Confident32 Ų3281.7 Ų81.733%0.3351%0.506SS..Hα-helixtrans-66.4-41.4176.600000113.3A218 E219 A220 A225 K226A218-G222 PolarHBondContact O-N 3.28Å; E219-G222 PolarHBondContact O-N 2.89Å; A220-G222 PolarHBondContact O-N 3.17Å; G222-A225 PolarHBondContact O-N 2.98Å; G222-K226 WeakPolarHBondContact O-CG 3.18Å; G222-K226 PolarHBondContact O-N 3.32Å
223L89.4Confident86.5Confident113 Ų11381.7 Ų81.759%0.59251%0.507SS*.Hα-helixtrans-69.6-41176.3-169.4151.2000111E219 A220 K226 S227E219-L223 WeakPolarHBondContact O-CB 3.15Å; E219-L223 PolarHBondContact O-N 3.44Å; A220-L223 PolarHBondContact O-N 3.09Å; L223-K226 PolarHBondContact O-N 3.48Å; L223-S227 VanDerWaalsContact O-CB 3.25Å; L223-S227 WeakPolarHBondContact O-CB 3.4Å; L223-S227 PolarHBondContact O-N 2.93Å; L223-S227 PolarHBondContact O-OG 2.94Å
224L85.4Confident85.9Confident88 Ų8880.6 Ų80.646%0.46151%0.507SS..Hα-helixtrans-60-46.2171-75.2171.4000110.8A220 K226 S227 F228A220-L224 VanDerWaalsContact O-CB 3.24Å; A220-L224 WeakPolarHBondContact O-CB 3.16Å; A220-L224 WeakPolarHBondContact O-CG 3.21Å; A220-L224 PolarHBondContact O-N 2.97Å; L224-K226 PolarHBondContact O-N 3.39Å; L224-S227 PolarHBondContact O-N 3.24Å; L224-F228 HydrophobicContact CB-CD2 4.31Å; L224-F228 HydrophobicContact CB-CE2 3.97Å; L224-F228 HydrophobicContact CD2-CE2 4.38Å; L224-F228 HydrophobicContact CD2-CZ 4.16Å; L224-F228 WeakPolarHBondContact O-CB 3.41Å; L224-F228 WeakPolarHBondContact O-CD2 3.29Å; L224-F228 WeakPolarHBondContact O-CG 3.41Å; L224-F228 PolarHBondContact O-N 2.84Å
225A85.1Confident85.2Confident61 Ų6181 Ų8150%0.50450%0.501SS..Hα-helixtrans-61.8-41.7177.600000112.5A221 G222 G229A221-A225 VanDerWaalsContact O-CB 3.28Å; A221-A225 WeakPolarHBondContact O-CB 3.35Å; A221-A225 PolarHBondContact O-N 2.89Å; G222-A225 PolarHBondContact O-N 2.98Å; A225-G229 PolarHBondContact O-N 2.73Å
226K85.7Confident84.7Confident151 Ų15178.2 Ų78.266%0.65749%0.492SS*.Hα-helixtrans-64.4-46.9172.7-73.1174.2-177.3176.40111.6G222 L223 L224 F228 G229 E230G222-K226 WeakPolarHBondContact O-CG 3.18Å; G222-K226 PolarHBondContact O-N 3.32Å; L223-K226 PolarHBondContact O-N 3.48Å; L224-K226 PolarHBondContact O-N 3.39Å; K226-F228 VanDerWaalsContact C-N 3.33Å; K226-F228 PolarHBondContact O-N 3.32Å; K226-G229 PolarHBondContact O-N 3.22Å; K226-G229 VanDerWaalsContact O-N 3.12Å; K226-E230 WeakPolarHBondContact O-CB 3.44Å; K226-E230 WeakPolarHBondContact O-CG 3.12Å; K226-E230 PolarHBondContact O-N 2.79Å
227S83.1Confident84.1Confident50 Ų5081.7 Ų81.735%0.3550%0.499SS..Hα-helixtrans-62.5-39.2179.1-57.50000111.6L223 L224 A231L223-S227 VanDerWaalsContact O-CB 3.25Å; L223-S227 WeakPolarHBondContact O-CB 3.4Å; L223-S227 PolarHBondContact O-N 2.93Å; L223-S227 PolarHBondContact O-OG 2.94Å; L224-S227 PolarHBondContact O-N 3.24Å; S227-A231 WeakPolarHBondContact O-CB 3.25Å; S227-A231 PolarHBondContact O-N 3.25Å
228F79.8Confident83.8Confident68 Ų6880.2 Ų80.230%0.29849%0.49SS..Hα-helixtrans-70.5-36172.7-65.4-36.2000112.3L224 K226 A231 G232 L235 V236L224-F228 HydrophobicContact CB-CD2 4.31Å; L224-F228 HydrophobicContact CB-CE2 3.97Å; L224-F228 HydrophobicContact CD2-CE2 4.38Å; L224-F228 HydrophobicContact CD2-CZ 4.16Å; L224-F228 WeakPolarHBondContact O-CB 3.41Å; L224-F228 WeakPolarHBondContact O-CD2 3.29Å; L224-F228 WeakPolarHBondContact O-CG 3.41Å; L224-F228 PolarHBondContact O-N 2.84Å; K226-F228 VanDerWaalsContact C-N 3.33Å; K226-F228 PolarHBondContact O-N 3.32Å; F228-A231 CarbonylContact O-C 3.48Å; F228-G232 CarbonylContact O-C 3.57Å; F228-G232 PolarHBondContact O-N 3.4Å; F228-G232 VanDerWaalsContact O-N 3.13Å; F228-L235 HydrophobicContact CD1-CD2 3.38Å; F228-L235 HydrophobicContact CE1-CD2 3.37Å; F228-V236 HydrophobicContact CB-CG2 4.27Å; F228-V236 HydrophobicContact CG-CG2 4.46Å
229G78.2Confident83.4Confident63 Ų6384.4 Ų84.465%0.64949%0.492SS*.Hα-helixtrans-66-40.6174.300000112.9A225 K226A225-G229 PolarHBondContact O-N 2.73Å; K226-G229 PolarHBondContact O-N 3.22Å; K226-G229 VanDerWaalsContact O-N 3.12Å
230E76.7Confident83.2Confident173 Ų17385.6 Ų85.681%0.80849%0.49SS*.Hα-helixtrans-74.2-43.9176-71.8178.9-175.200112K226 G232K226-E230 WeakPolarHBondContact O-CB 3.44Å; K226-E230 WeakPolarHBondContact O-CG 3.12Å; K226-E230 PolarHBondContact O-N 2.79Å; E230-G232 PolarHBondContact O-N 3.3Å
231A67.9Low83.2Confident59 Ų5988.5 Ų88.549%0.48850%0.498SS..THydrogen-bonded Turntrans-83.427.4174.900000112.9S227 F228S227-A231 WeakPolarHBondContact O-CB 3.25Å; S227-A231 PolarHBondContact O-N 3.25Å; F228-A231 CarbonylContact O-C 3.48Å
232G71.1Confident83.4Confident31 Ų3189.4 Ų89.432%0.3249%0.493SS..Hα-helixtrans60161.5167.200000117.5F228 E230 G234 L235F228-G232 CarbonylContact O-C 3.57Å; F228-G232 PolarHBondContact O-N 3.4Å; F228-G232 VanDerWaalsContact O-N 3.13Å; E230-G232 PolarHBondContact O-N 3.3Å; G232-G234 PolarHBondContact O-N 3.05Å; G232-L235 PolarHBondContact O-N 3.08Å
233D78.8Confident83.5Confident111 Ų11190.1 Ų90.159%0.59450%0.495SS*.Hα-helixtrans-58.7-21.2174.9-164.329.2000112.7L235 V236 E237D233-L235 VanDerWaalsContact C-N 3.31Å; D233-L235 PolarHBondContact O-N 2.76Å; D233-V236 PolarHBondContact O-N 3.21Å; D233-V236 VanDerWaalsContact O-N 3.08Å; D233-E237 PolarHBondContact O-N 2.9Å
234G81.9Confident83.6Confident49 Ų4987.4 Ų87.451%0.50549%0.489SS..Hα-helixtrans-58.5-35.6176.400000114G232 L238G232-G234 PolarHBondContact O-N 3.05Å; G234-L238 WeakPolarHBondContact O-CB 3.17Å; G234-L238 PolarHBondContact O-N 2.87Å
235L80.4Confident83.8Confident66 Ų6689.4 Ų89.435%0.34650%0.496SS..Hα-helixtrans-74.3-31176.6-160.596.9000111.8F228 G232 D233 R239F228-L235 HydrophobicContact CD1-CD2 3.38Å; F228-L235 HydrophobicContact CE1-CD2 3.37Å; G232-L235 PolarHBondContact O-N 3.08Å; D233-L235 VanDerWaalsContact C-N 3.31Å; D233-L235 PolarHBondContact O-N 2.76Å; L235-R239 VanDerWaalsContact O-CB 3.3Å; L235-R239 WeakPolarHBondContact O-CB 3.33Å; L235-R239 VanDerWaalsContact O-CG 3.25Å; L235-R239 WeakPolarHBondContact O-CG 3.16Å; L235-R239 PolarHBondContact O-N 3.48Å
236V83.4Confident84.2Confident57 Ų5791.5 Ų91.535%0.34550%0.499SS..Hα-helixtrans-72.7-43176.4179.10000110.6F228 D233 R239 R240F228-V236 HydrophobicContact CB-CG2 4.27Å; F228-V236 HydrophobicContact CG-CG2 4.46Å; D233-V236 PolarHBondContact O-N 3.21Å; D233-V236 VanDerWaalsContact O-N 3.08Å; V236-R239 PolarHBondContact O-N 2.84Å; V236-R240 VanDerWaalsContact O-CB 3.32Å; V236-R240 WeakPolarHBondContact O-CB 3.33Å; V236-R240 PolarHBondContact O-N 3.45Å
237E85.1Confident84.3Confident107 Ų10788.9 Ų88.950%0.549%0.491SS..Hα-helixtrans-62.2-43.7170.7-82.7-171.9146.900111.4D233 R239 R240 I241D233-E237 PolarHBondContact O-N 2.9Å; E237-R239 PolarHBondContact O-N 2.77Å; E237-R240 PolarHBondContact O-N 2.82Å; E237-I241 WeakPolarHBondContact O-CB 3.12Å; E237-I241 VanDerWaalsContact O-CG1 3.23Å; E237-I241 WeakPolarHBondContact O-CG1 3.24Å; E237-I241 PolarHBondContact O-N 3.45Å
238L87.4Confident84.5Confident84 Ų8488 Ų8844%0.4449%0.487SS..Hα-helixtrans-58.9-47.8174.3-177.665.7000110.9G234 R240 I241 E242G234-L238 WeakPolarHBondContact O-CB 3.17Å; G234-L238 PolarHBondContact O-N 2.87Å; L238-R240 VanDerWaalsContact C-N 3.33Å; L238-R240 PolarHBondContact O-N 2.84Å; L238-I241 CarbonylContact O-C 3.57Å; L238-I241 PolarHBondContact O-N 3.49Å; L238-E242 HydrophobicContact CD1-CG 4.49Å; L238-E242 HydrophobicContact CG-CG 4.43Å; L238-E242 WeakPolarHBondContact O-CB 3.49Å; L238-E242 WeakPolarHBondContact O-CG 3.46Å; L238-E242 PolarHBondContact O-N 3.41Å
239R84.9Confident84.8Confident155 Ų15591 Ų9159%0.58550%0.497SS*.Hα-helixtrans-63.6-35.1176-79-68.5-168.3156.82.5113.2L235 V236 E237 E242 A243L235-R239 VanDerWaalsContact O-CB 3.3Å; L235-R239 WeakPolarHBondContact O-CB 3.33Å; L235-R239 VanDerWaalsContact O-CG 3.25Å; L235-R239 WeakPolarHBondContact O-CG 3.16Å; L235-R239 PolarHBondContact O-N 3.48Å; V236-R239 PolarHBondContact O-N 2.84Å; E237-R239 PolarHBondContact O-N 2.77Å; R239-E242 WeakPolarHBondContact CD-OE2 3.32Å; R239-E242 IonicContact NE-OE2 3.91Å; R239-A243 WeakPolarHBondContact O-CB 3.1Å; R239-A243 PolarHBondContact O-N 3.38Å
240R89.9Confident85.2Confident176 Ų17694.8 Ų94.866%0.66450%0.498SS*.Hα-helixtrans-66.5-41.8174.1-179.5-172.9-72.5179.3-0.2110.3V236 E237 L238 A244V236-R240 VanDerWaalsContact O-CB 3.32Å; V236-R240 WeakPolarHBondContact O-CB 3.33Å; V236-R240 PolarHBondContact O-N 3.45Å; E237-R240 PolarHBondContact O-N 2.82Å; L238-R240 VanDerWaalsContact C-N 3.33Å; L238-R240 PolarHBondContact O-N 2.84Å; R240-A244 WeakPolarHBondContact O-CB 3.47Å; R240-A244 PolarHBondContact O-N 2.8Å
241I92Very high85.6Confident108 Ų10890 Ų9055%0.55448%0.477SS*.Hα-helixtrans-67.5-46.8176.5-67.2165.1000110E237 L238 A244 E245E237-I241 WeakPolarHBondContact O-CB 3.12Å; E237-I241 VanDerWaalsContact O-CG1 3.23Å; E237-I241 WeakPolarHBondContact O-CG1 3.24Å; E237-I241 PolarHBondContact O-N 3.45Å; L238-I241 CarbonylContact O-C 3.57Å; L238-I241 PolarHBondContact O-N 3.49Å; I241-A244 CarbonylContact O-C 3.6Å; I241-A244 PolarHBondContact O-N 3.21Å; I241-E245 VanDerWaalsContact O-CB 3.31Å; I241-E245 WeakPolarHBondContact O-CB 3.43Å; I241-E245 PolarHBondContact O-N 3.15Å
242E93.9Very high86.2Confident76 Ų7690.7 Ų90.736%0.35548%0.478SS..Hα-helixtrans-60.1-45.8175.4-74.5176.2177.700111.5L238 R239 A244 E245 D246L238-E242 HydrophobicContact CD1-CG 4.49Å; L238-E242 HydrophobicContact CG-CG 4.43Å; L238-E242 WeakPolarHBondContact O-CB 3.49Å; L238-E242 WeakPolarHBondContact O-CG 3.46Å; L238-E242 PolarHBondContact O-N 3.41Å; R239-E242 WeakPolarHBondContact CD-OE2 3.32Å; R239-E242 IonicContact NE-OE2 3.91Å; E242-A244 PolarHBondContact O-N 2.83Å; E242-E245 WeakPolarHBondContact O-CB 3.44Å; E242-E245 PolarHBondContact O-N 3.42Å; E242-D246 WeakPolarHBondContact O-CB 3.3Å; E242-D246 PolarHBondContact O-N 2.95Å
243A93.8Very high86.7Confident46 Ų4697.7 Ų97.738%0.3850%0.495SS..Hα-helixtrans-65.1-39.3175.800000111.8R239 E245 D246 I247R239-A243 WeakPolarHBondContact O-CB 3.1Å; R239-A243 PolarHBondContact O-N 3.38Å; A243-E245 VanDerWaalsContact C-N 3.34Å; A243-D246 PolarHBondContact O-N 3.44Å; A243-I247 VanDerWaalsContact O-CB 3.28Å; A243-I247 WeakPolarHBondContact O-CB 3.45Å; A243-I247 WeakPolarHBondContact O-CD1 3.47Å; A243-I247 WeakPolarHBondContact O-CG1 3.21Å; A243-I247 PolarHBondContact O-N 2.85Å
244A90.7Very high86.8Confident56 Ų5694.7 Ų94.746%0.46348%0.483SS..Hα-helixtrans-67-35.7174.200000111.9R240 I241 E242 A248R240-A244 WeakPolarHBondContact O-CB 3.47Å; R240-A244 PolarHBondContact O-N 2.8Å; I241-A244 CarbonylContact O-C 3.6Å; I241-A244 PolarHBondContact O-N 3.21Å; E242-A244 PolarHBondContact O-N 2.83Å; A244-A248 WeakPolarHBondContact O-CB 3.46Å; A244-A248 PolarHBondContact O-N 3.12Å
245E90.6Very high86.4Confident130 Ų130105 Ų10561%0.60751%0.507SS*.Hα-helixtrans-65.5-48.1173.2-175.5180173.900110.8I241 E242 A243 A248 Y249I241-E245 VanDerWaalsContact O-CB 3.31Å; I241-E245 WeakPolarHBondContact O-CB 3.43Å; I241-E245 PolarHBondContact O-N 3.15Å; E242-E245 WeakPolarHBondContact O-CB 3.44Å; E242-E245 PolarHBondContact O-N 3.42Å; A243-E245 VanDerWaalsContact C-N 3.34Å; E245-A248 CarbonylContact O-C 3.59Å; E245-A248 PolarHBondContact O-N 2.79Å; E245-Y249 VanDerWaalsContact O-CB 3.24Å; E245-Y249 WeakPolarHBondContact O-CB 3.44Å; E245-Y249 PolarHBondContact O-N 3.06Å
246D91.9Very high86.2Confident105 Ų105105.5 Ų105.556%0.56153%0.527SS*.Hα-helixtrans-60.7-46.8175.9-86.4-17.7000111.7E242 A243 Y249 Q250E242-D246 WeakPolarHBondContact O-CB 3.3Å; E242-D246 PolarHBondContact O-N 2.95Å; A243-D246 PolarHBondContact O-N 3.44Å; D246-Y249 PolarHBondContact O-N 3.35Å; D246-Q250 WeakPolarHBondContact O-CB 3.43Å; D246-Q250 WeakPolarHBondContact O-CG 3.33Å; D246-Q250 PolarHBondContact O-N 3.03Å
247I89.4Confident85.7Confident97 Ų97105.6 Ų105.650%0.49753%0.528SS..Hα-helixtrans-61.2-48.4175.2-69.5164.6000109.6A243 Y249 Q250 L251A243-I247 VanDerWaalsContact O-CB 3.28Å; A243-I247 WeakPolarHBondContact O-CB 3.45Å; A243-I247 WeakPolarHBondContact O-CD1 3.47Å; A243-I247 WeakPolarHBondContact O-CG1 3.21Å; A243-I247 PolarHBondContact O-N 2.85Å; I247-Y249 VanDerWaalsContact C-N 3.33Å; I247-Y249 PolarHBondContact O-N 2.88Å; I247-Q250 PolarHBondContact O-N 3.34Å; I247-L251 HydrophobicContact CG2-CD1 3.5Å; I247-L251 VanDerWaalsContact CG2-CD1 3.5Å; I247-L251 HydrophobicContact CG2-CG 4.1Å; I247-L251 WeakPolarHBondContact O-CB 3.48Å; I247-L251 WeakPolarHBondContact O-CG 3.42Å; I247-L251 PolarHBondContact O-N 2.85Å
248A86.5Confident85.2Confident31 Ų31104.6 Ų104.626%0.25654%0.538SS..Hα-helixtrans-63.5-36.5178.200000112.5A244 E245 L251 S252 Y259A244-A248 WeakPolarHBondContact O-CB 3.46Å; A244-A248 PolarHBondContact O-N 3.12Å; E245-A248 CarbonylContact O-C 3.59Å; E245-A248 PolarHBondContact O-N 2.79Å; A248-L251 PolarHBondContact O-N 3.4Å; A248-S252 VanDerWaalsContact O-CB 3.26Å; A248-S252 WeakPolarHBondContact O-CB 3.28Å; A248-S252 PolarHBondContact O-N 3.17Å; A248-S252 PolarHBondContact O-OG 2.88Å; A248-Y259 PolarHBondContact O-OH 3.13Å
249Y86.8Confident84.3Confident130 Ų130108 Ų10851%0.5155%0.546SS..Hα-helixtrans-65.3-48.3175.1-177.3-97.1000111.5E245 D246 I247 L251 S252 R253E245-Y249 VanDerWaalsContact O-CB 3.24Å; E245-Y249 WeakPolarHBondContact O-CB 3.44Å; E245-Y249 PolarHBondContact O-N 3.06Å; D246-Y249 PolarHBondContact O-N 3.35Å; I247-Y249 VanDerWaalsContact C-N 3.33Å; I247-Y249 PolarHBondContact O-N 2.88Å; Y249-L251 VanDerWaalsContact C-N 3.32Å; Y249-L251 PolarHBondContact O-N 3.22Å; Y249-S252 PolarHBondContact O-OG 3.09Å; Y249-S252 VanDerWaalsContact O-OG 3.12Å; Y249-R253 PolarHBondContact OH-NH2 2.9Å
250Q86.8Confident83.6Confident144 Ų144105.9 Ų105.967%0.67355%0.546SS*.Hα-helixtrans-62.7-39.1174.9-71.7-173.72.900111.8D246 I247D246-Q250 WeakPolarHBondContact O-CB 3.43Å; D246-Q250 WeakPolarHBondContact O-CG 3.33Å; D246-Q250 PolarHBondContact O-N 3.03Å; I247-Q250 PolarHBondContact O-N 3.34Å
251L84.8Confident82.6Confident72 Ų72101.3 Ų101.338%0.37754%0.539SS..Hα-helixtrans-77.3-36.4-178.6-70.9178.3000113.7I247 A248 Y249 R253 S254 V257I247-L251 HydrophobicContact CG2-CD1 3.5Å; I247-L251 VanDerWaalsContact CG2-CD1 3.5Å; I247-L251 HydrophobicContact CG2-CG 4.1Å; I247-L251 WeakPolarHBondContact O-CB 3.48Å; I247-L251 WeakPolarHBondContact O-CG 3.42Å; I247-L251 PolarHBondContact O-N 2.85Å; A248-L251 PolarHBondContact O-N 3.4Å; Y249-L251 VanDerWaalsContact C-N 3.32Å; Y249-L251 PolarHBondContact O-N 3.22Å; L251-R253 PolarHBondContact O-N 3.25Å; L251-S254 WeakPolarHBondContact O-CA 3.5Å; L251-S254 VanDerWaalsContact O-CB 3.31Å; L251-S254 WeakPolarHBondContact O-CB 3.36Å; L251-S254 PolarHBondContact O-N 2.86Å; L251-S254 PolarHBondContact O-OG 2.87Å; L251-V257 HydrophobicContact CB-CB 4.41Å; L251-V257 HydrophobicContact CB-CG1 4.2Å; L251-V257 HydrophobicContact CB-CG2 4.04Å; L251-V257 HydrophobicContact CD2-CG2 3.9Å; L251-V257 HydrophobicContact CG-CG2 4.41Å
252S81.1Confident81.5Confident73 Ų73102.2 Ų102.251%0.5156%0.555SS.*Hα-helixtrans-63.9-27.2178.667.50000113.3A248 Y249 S254A248-S252 VanDerWaalsContact O-CB 3.26Å; A248-S252 WeakPolarHBondContact O-CB 3.28Å; A248-S252 PolarHBondContact O-N 3.17Å; A248-S252 PolarHBondContact O-OG 2.88Å; Y249-S252 PolarHBondContact O-OG 3.09Å; Y249-S252 VanDerWaalsContact O-OG 3.12Å; S252-S254 PolarHBondContact O-N 2.96Å
253R80.9Confident80.3Confident178 Ų178102.7 Ų102.767%0.67258%0.58SS**THydrogen-bonded Turntrans-71.4-20.6171-69.2179172.6-144.9-0.4112.7Y249 L251Y249-R253 PolarHBondContact OH-NH2 2.9Å; L251-R253 PolarHBondContact O-N 3.25Å
254S80.5Confident78.6Confident49 Ų49107 Ų10734%0.34359%0.592SS.*SBendtrans-85.1129.518081.90000110.3L251 S252 G256 V257L251-S254 WeakPolarHBondContact O-CA 3.5Å; L251-S254 VanDerWaalsContact O-CB 3.31Å; L251-S254 WeakPolarHBondContact O-CB 3.36Å; L251-S254 PolarHBondContact O-N 2.86Å; L251-S254 PolarHBondContact O-OG 2.87Å; S252-S254 PolarHBondContact O-N 2.96Å; S254-G256 PolarHBondContact O-N 2.69Å; S254-V257 WeakPolarHBondContact OG-CG2 3.49Å
255R73.4Confident77.3Confident266 Ų266110 Ų110100%1.00461%0.61SS**THydrogen-bonded Turntrans-67.4-1.4-177.1-68.5-177.9174.7175.3-1.9114.4
256G77.2Confident75.9Confident75 Ų75107.3 Ų107.377%0.77360%0.603SS**THydrogen-bonded Turntrans-111.65.3-171.200000115.5S254S254-G256 PolarHBondContact O-N 2.69Å
257V73Confident74.4Confident59 Ų59110.5 Ų110.536%0.35862%0.619SS.*  trans-110.8118.5-175.4179.70000110.4L251 S254L251-V257 HydrophobicContact CB-CB 4.41Å; L251-V257 HydrophobicContact CB-CG1 4.2Å; L251-V257 HydrophobicContact CB-CG2 4.04Å; L251-V257 HydrophobicContact CD2-CG2 3.9Å; L251-V257 HydrophobicContact CG-CG2 4.41Å; S254-V257 WeakPolarHBondContact OG-CG2 3.49Å
258A73Confident73.3Confident87 Ų87111.3 Ų111.372%0.71962%0.623SS**  trans-111.5133173.300000109.8
259Y68.5Low72.3Confident155 Ų155117.4 Ų117.461%0.60865%0.652SS**PPolyproline II helixtrans-84.6123.5177.8-66.7-89.5000110.3A248A248-Y259 PolarHBondContact O-OH 3.13Å
260L70.2Confident71.4Confident110 Ų110117.5 Ų117.558%0.57666%0.66SS**PPolyproline II helixtrans-101.7132.9176.2-69.8165.5000109.9L268L260-L268 HydrophobicContact CD1-CD1 4.08Å
261P69.2Low69.9Low81 Ų81115.8 Ų115.853%0.52666%0.661SS.*PPolyproline II helixtrans-66.3140.1177.626.1-32.2000111.4G263 Q264P261-G263 PolarHBondContact O-N 3.2Å; P261-Q264 HydrophobicContact CG-CB 4.5Å
262S69.1Low68.8Low127 Ų127118.2 Ų118.289%0.88869%0.685SS**THydrogen-bonded Turntrans-60.8124.7178.555.40000111.1
263G68.2Low67.5Low85 Ų85120.5 Ų120.588%0.87670%0.696SS**THydrogen-bonded Turntrans97.8-4169.700000116.2P261P261-G263 PolarHBondContact O-N 3.2Å
264Q59.9Low66Low137 Ų137120 Ų12064%0.6471%0.705SS**  trans-97109.3174.2-159.3166.71300109.4P261 T266P261-Q264 HydrophobicContact CG-CB 4.5Å; Q264-T266 PolarHBondContact O-N 3.12Å; Q264-T266 PolarHBondContact O-OG1 2.85Å
265S61.8Low64.2Low120 Ų120122.4 Ų122.484%0.83973%0.727SS**  trans-63.973.7171.1-64.20000110L267S265-L267 PolarHBondContact O-N 2.83Å
266T61.3Low62.6Low73 Ų73122.3 Ų122.345%0.44874%0.738SS.*  trans-77.4108.5175.8-53.50000106.3Q264 L268Q264-T266 PolarHBondContact O-N 3.12Å; Q264-T266 PolarHBondContact O-OG1 2.85Å; T266-L268 PolarHBondContact O-N 3.43Å
267L60.9Low61.9Low172 Ų172124.7 Ų124.790%0.90174%0.736SS**  trans-6694.5178-69.6168.5000108.8S265 N269S265-L267 PolarHBondContact O-N 2.83Å; L267-N269 PolarHBondContact O-N 2.93Å
268L65.3Low61.3Low113 Ų113128.1 Ų128.159%0.59276%0.756SS**  trans-69.9110.8165.3-10387.8000107.9L260 T266 L270L260-L268 HydrophobicContact CD1-CD1 4.08Å; T266-L268 PolarHBondContact O-N 3.43Å; L268-L270 VanDerWaalsContact C-N 3.29Å; L268-L270 HydrophobicContact CB-CG 4.48Å; L268-L270 PolarHBondContact O-N 3.41Å
269N67.1Low60.6Low159 Ų159130.4 Ų130.485%0.8576%0.758SS**  trans-70.688.4169.5-173.119.4000108.8L267L267-N269 PolarHBondContact O-N 2.93Å
270L66.5Low60.2Low133 Ų133128.9 Ų128.970%0.69677%0.767SS**  trans-76.6123.4175.8-70.3156.7000108.7L268 S272L268-L270 VanDerWaalsContact C-N 3.29Å; L268-L270 HydrophobicContact CB-CG 4.48Å; L268-L270 PolarHBondContact O-N 3.41Å; L270-S272 PolarHBondContact O-N 2.84Å
271P57.2Low59.5Low107 Ų107130.1 Ų130.170%0.69578%0.779SS**  trans-64.8123.4175.424.9-30.7000109.5T273P271-T273 PolarHBondContact O-N 2.84Å
272S61.2Low58.9Low124 Ų124133.4 Ų133.487%0.86780%0.796SS**  trans-74.523-170.858.50000115.2L270L270-S272 PolarHBondContact O-N 2.84Å
273T52.7Low58.2Low120 Ų120133.9 Ų133.974%0.73679%0.79SS**  trans-107.465.6-172.5270000112.5P271P271-T273 PolarHBondContact O-N 2.84Å
274I50.6Low57.4Low168 Ų168137.6 Ų137.686%0.86278%0.783SS**  trans-143.174.5153.1-46.8174.9000108.5
275A42.4Very low57.2Low99 Ų99137.7 Ų137.782%0.81880%0.795SS**  trans-141.566.9160.100000107.8
276Q39.4Very low56.8Low264 Ų264139.3 Ų139.3100%1.23479%0.791SS**  trans-139.50156.9-71.8-167.6-3.500107.8

Retrieved 276 of 276 residues in 253.6 ms (Link to these results)