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DNA gyrase subunit B

DNA gyrase negatively supercoils closed circular double-stranded DNA in an ATP-dependent manner to maintain chromosomes in an underwound state1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20. This makes better substrates for topoisomerase 4 (ParC and ParE) which is the main enzyme that unlinks newly replicated chromosomes in E.coli21. Gyrase catalyzes the interconversion of other topological isomers of double-stranded DNA rings, including catenanes22. Relaxes negatively supercoiled DNA in an ATP-independent manner23. E.coli gyrase has higher supercoiling activity than other characterized bacterial gyrases; at comparable concentrations E.coli gyrase introduces more supercoils faster than M.tuberculosis gyrase, while M.tuberculosis gyrase has higher decatenation than supercoiling activity compared to E.coli24. E.coli makes 15% more negative supercoils in pBR322 plasmid DNA than S.typhimurium; the S.typhimurium GyrB subunit is toxic in E.coli, while the E.coli copy can be expressed in S.typhimurium even though the 2 subunits have 777/804 residues identical25. The enzymatic differences between E.coli gyrase and topoisomerase IV are largely due to the GyrA C-terminal domain (approximately residues 524-841) and specifically the GyrA-box26,27.

AlphaFold DB , UniProt , Accession P0AES6, Species ECOLI (Escherichia coli (strain K12)), Gene gyrB, Length 804 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
1M43.4Very low69.2Low240 Ų240124.2 Ų124.2100%1.18268%0.68SS**  0116.90-71.4179.8-172.200107.2N3M1-N3 PolarHBondContact O-N 2.86Å
2S46.4Very low69.8Low116 Ų116123.3 Ų123.381%0.81168%0.681SS**  trans-68116.6172.947.90000108.7S4S2-S4 PolarHBondContact O-N 3.36Å
3N59.6Low70.3Confident170 Ų170119 Ų11991%0.90966%0.656SS**  trans-67.686.7166.8-93.6-6.1000108.4M1 Y5M1-N3 PolarHBondContact O-N 2.86Å; N3-Y5 PolarHBondContact O-N 3.16Å
4S63.8Low70.6Confident73 Ų73121.9 Ų121.951%0.5166%0.659SS.*  trans-64.3112.1167.3166.80000108.2S2 D6S2-S4 PolarHBondContact O-N 3.36Å; S4-D6 PolarHBondContact O-N 3.12Å; S4-D6 VanDerWaalsContact O-N 3.12Å; S4-D6 PolarHBondContact OG-OD2 3.28Å
5Y77.7Confident71.3Confident181 Ų181116.8 Ų116.871%0.7165%0.646SS**  trans-77.689.7168.8-176-102.7000108.4N3 S9 I10N3-Y5 PolarHBondContact O-N 3.16Å; Y5-S9 VanDerWaalsContact CD2-CB 3.45Å; Y5-I10 HydrophobicContact CE2-CD1 4.5Å; Y5-I10 VanDerWaalsContact OH-CD1 3.23Å; Y5-I10 WeakPolarHBondContact OH-CD1 3.45Å
6D83Confident72.3Confident70 Ų70110.3 Ų110.337%0.37461%0.61SS.*SBendtrans-115-173.1174.961.242.8000111.2S4 S8 S9S4-D6 PolarHBondContact O-N 3.12Å; S4-D6 VanDerWaalsContact O-N 3.12Å; S4-D6 PolarHBondContact OG-OD2 3.28Å; D6-S8 PolarHBondContact O-N 3.48Å; D6-S8 VanDerWaalsContact O-N 3.08Å; D6-S8 VanDerWaalsContact OD1-CB 3.23Å; D6-S8 WeakPolarHBondContact OD1-CB 3.23Å; D6-S8 PolarHBondContact OD1-N 3.08Å; D6-S8 PolarHBondContact OD1-OG 3.32Å; D6-S9 WeakPolarHBondContact O-CB 3.21Å; D6-S9 PolarHBondContact O-N 2.87Å; D6-S9 PolarHBondContact O-OG 2.88Å
7S80Confident73.1Confident107 Ų107108.5 Ų108.575%0.74860%0.599SS**G310 helixtrans-56.1-26.1-178.853.30000113.9S9 I10S7-S9 PolarHBondContact O-N 2.55Å; S7-I10 PolarHBondContact O-N 3.43Å; S7-I10 VanDerWaalsContact O-N 3.17Å
8S77.2Confident73.9Confident93 Ų93103.6 Ų103.665%0.6557%0.574SS**G310 helixtrans-69.2-16.7175.474.80000113.3D6 I10D6-S8 PolarHBondContact O-N 3.48Å; D6-S8 VanDerWaalsContact O-N 3.08Å; D6-S8 VanDerWaalsContact OD1-CB 3.23Å; D6-S8 WeakPolarHBondContact OD1-CB 3.23Å; D6-S8 PolarHBondContact OD1-N 3.08Å; D6-S8 PolarHBondContact OD1-OG 3.32Å; S8-I10 VanDerWaalsContact C-N 3.32Å
9S77.9Confident74.7Confident52 Ų5298.1 Ų98.136%0.36454%0.544SS..G310 helixtrans-78.3-14.8173.2-59.40000113.2Y5 D6 S7Y5-S9 VanDerWaalsContact CD2-CB 3.45Å; D6-S9 WeakPolarHBondContact O-CB 3.21Å; D6-S9 PolarHBondContact O-N 2.87Å; D6-S9 PolarHBondContact O-OG 2.88Å; S7-S9 PolarHBondContact O-N 2.55Å
10I78.1Confident75.5Confident99 Ų9996.8 Ų96.851%0.50853%0.53SS..  trans-87.5111.7177.7-52.5-59.4000109.4Y5 S7 S8Y5-I10 HydrophobicContact CE2-CD1 4.5Å; Y5-I10 VanDerWaalsContact OH-CD1 3.23Å; Y5-I10 WeakPolarHBondContact OH-CD1 3.45Å; S7-I10 PolarHBondContact O-N 3.43Å; S7-I10 VanDerWaalsContact O-N 3.17Å; S8-I10 VanDerWaalsContact C-N 3.32Å
11K73.6Confident76.1Confident165 Ų16597.6 Ų97.672%0.71753%0.529SS*.PPolyproline II helixtrans-100.4122.4176-65.1-174.5180-1790110.1
12V76.5Confident78.2Confident113 Ų11394.3 Ų94.369%0.68550%0.503SS*.PPolyproline II helixtrans-93.8118.1170.8-177.80000108.1K14V12-K14 HydrophobicContact CG1-CG 4.08Å
13L76.8Confident80.3Confident68 Ų6889.7 Ų89.736%0.35647%0.47SS..PPolyproline II helixtrans-90.2122.9172.7-56.3175.4000107.9A18 K21L13-A18 HydrophobicContact CB-CB 3.93Å; L13-K21 HydrophobicContact CD1-CB 3.9Å; L13-K21 HydrophobicContact CD1-CD 3.83Å; L13-K21 HydrophobicContact CD1-CG 4.09Å; L13-K21 HydrophobicContact CD2-CD 3.64Å; L13-K21 HydrophobicContact CD2-CG 4.25Å; L13-K21 HydrophobicContact CG-CD 4.41Å
14K73.7Confident81.5Confident160 Ų16083.5 Ų83.570%0.69645%0.447SS*.  trans-110143.1-178.1-66-174.1178.6-176.90110.4V12 L16 D17V12-K14 HydrophobicContact CG1-CG 4.08Å; K14-L16 PolarHBondContact O-N 2.74Å; K14-D17 WeakPolarHBondContact O-CB 3.28Å; K14-D17 PolarHBondContact O-N 3.18Å
15G81.1Confident82.4Confident45 Ų4586.3 Ų86.346%0.46445%0.453SS..THydrogen-bonded Turntrans53.6-133.9175.300000113.1D17 A18G15-D17 PolarHBondContact O-N 2.84Å; G15-A18 PolarHBondContact O-N 2.76Å
16L88.1Confident82.8Confident13 Ų1380.4 Ų80.47%0.06843%0.43CS..Hα-helixtrans-67.6-15.1-176.9-58-172.5000114.6K14 A18 V19 R20 T96 L98 A125K14-L16 PolarHBondContact O-N 2.74Å; L16-A18 PolarHBondContact O-N 3.45Å; L16-V19 HydrophobicContact CD2-CG2 4.5Å; L16-V19 WeakPolarHBondContact O-CB 3.23Å; L16-V19 PolarHBondContact O-N 3.46Å; L16-R20 PolarHBondContact O-N 2.88Å; L16-R20 VanDerWaalsContact O-N 3.11Å; L16-T96 WeakPolarHBondContact CG-O 3.15Å; L16-L98 HydrophobicContact CD2-CD2 3.83Å; L16-L98 HydrophobicContact CD2-CG 4.04Å; L16-A125 HydrophobicContact CB-CB 3.8Å; L16-A125 HydrophobicContact CD1-CB 4.01Å; L16-A125 HydrophobicContact CD2-CB 4.08Å; L16-A125 HydrophobicContact CG-CB 4.16Å
17D85.8Confident83Confident79 Ų7977.1 Ų77.142%0.42241%0.413SS..Hα-helixtrans-62.6-33.5174.4-75.3-24.8000111.9K14 G15 V19 R20 K21K14-D17 WeakPolarHBondContact O-CB 3.28Å; K14-D17 PolarHBondContact O-N 3.18Å; G15-D17 PolarHBondContact O-N 2.84Å; D17-V19 VanDerWaalsContact C-N 3.31Å; D17-R20 IonicContact OD1-CZ 2.73Å; D17-R20 IonicContact OD1-NE 3.8Å; D17-R20 IonicContact OD1-NH2 3.62Å; D17-R20 PolarHBondContact OD1-NH2 3.17Å; D17-K21 WeakPolarHBondContact O-CG 3.48Å; D17-K21 PolarHBondContact O-N 2.79Å; D17-K21 VanDerWaalsContact O-N 3.15Å
18A87Confident83.1Confident20 Ų2072.6 Ų72.617%0.16538%0.383CS..Hα-helixtrans-63.9-40.5176.600000111.3L13 G15 L16 K21 R22L13-A18 HydrophobicContact CB-CB 3.93Å; G15-A18 PolarHBondContact O-N 2.76Å; L16-A18 PolarHBondContact O-N 3.45Å; A18-K21 PolarHBondContact O-N 3.02Å; A18-R22 PolarHBondContact O-N 2.85Å
19V90.5Very high83.5Confident0 Ų071.9 Ų71.90%037%0.372CS..Hα-helixtrans-62.9-51.7177.6-175.60000110.6L16 D17 K21 R22 P23 Y26 L98 V122 A125 L126L16-V19 HydrophobicContact CD2-CG2 4.5Å; L16-V19 WeakPolarHBondContact O-CB 3.23Å; L16-V19 PolarHBondContact O-N 3.46Å; D17-V19 VanDerWaalsContact C-N 3.31Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 3.46Å; V19-R22 CarbonylContact O-C 3.54Å; V19-R22 PolarHBondContact O-N 2.97Å; V19-R22 VanDerWaalsContact O-N 3.15Å; V19-P23 VanDerWaalsContact O-CA 3.28Å; V19-P23 WeakPolarHBondContact O-CA 3.49Å; V19-P23 WeakPolarHBondContact O-CD 3.32Å; V19-Y26 HydrophobicContact CB-CD2 4.24Å; V19-Y26 HydrophobicContact CB-CE2 4.26Å; V19-Y26 HydrophobicContact CG1-CD2 4Å; V19-Y26 HydrophobicContact CG1-CG 4.1Å; V19-Y26 HydrophobicContact CG2-CD1 4.19Å; V19-Y26 HydrophobicContact CG2-CD2 4.28Å; V19-Y26 HydrophobicContact CG2-CE1 4Å; V19-Y26 HydrophobicContact CG2-CE2 4.12Å; V19-Y26 HydrophobicContact CG2-CG 4.32Å; V19-L98 HydrophobicContact CG2-CD1 3.89Å; V19-L98 HydrophobicContact CG2-CD2 3.97Å; V19-L98 HydrophobicContact CG2-CG 4.45Å; V19-V122 HydrophobicContact CG1-CB 4.15Å; V19-V122 HydrophobicContact CG1-CG1 3.81Å; V19-V122 HydrophobicContact CG1-CG2 3.82Å; V19-V122 HydrophobicContact CG2-CG2 4.02Å; V19-A125 HydrophobicContact CB-CB 4.01Å; V19-A125 HydrophobicContact CG1-CB 3.94Å; V19-L126 HydrophobicContact CG1-CD1 4.39Å; V19-L126 HydrophobicContact CG1-CD2 3.97Å; V19-L126 HydrophobicContact CG1-CG 4.05Å
20R90.6Very high83.9Confident71 Ų7170.3 Ų70.327%0.26836%0.36SS..Hα-helixtrans-59.5-35.3179.8-77.3-174.1-73.2-9110113.7L16 D17 A125 L126 H147L16-R20 PolarHBondContact O-N 2.88Å; L16-R20 VanDerWaalsContact O-N 3.11Å; D17-R20 IonicContact OD1-CZ 2.73Å; D17-R20 IonicContact OD1-NE 3.8Å; D17-R20 IonicContact OD1-NH2 3.62Å; D17-R20 PolarHBondContact OD1-NH2 3.17Å; R20-A125 HydrophobicContact CG-CB 4.5Å; R20-A125 WeakPolarHBondContact CG-O 3.45Å; R20-L126 HydrophobicContact CG-CD2 4.43Å; R20-H147 PolarHBondContact NH1-O 3.37Å
21K88Confident84.1Confident114 Ų11469.5 Ų69.550%0.49636%0.357SS..Hα-helixtrans-77-25.1179.3-70-141.9-175.4-179.20113.9L13 D17 A18 V19L13-K21 HydrophobicContact CD1-CB 3.9Å; L13-K21 HydrophobicContact CD1-CD 3.83Å; L13-K21 HydrophobicContact CD1-CG 4.09Å; L13-K21 HydrophobicContact CD2-CD 3.64Å; L13-K21 HydrophobicContact CD2-CG 4.25Å; L13-K21 HydrophobicContact CG-CD 4.41Å; D17-K21 WeakPolarHBondContact O-CG 3.48Å; D17-K21 PolarHBondContact O-N 2.79Å; D17-K21 VanDerWaalsContact O-N 3.15Å; A18-K21 PolarHBondContact O-N 3.02Å; V19-K21 VanDerWaalsContact C-N 3.28Å; V19-K21 PolarHBondContact O-N 3.46Å
22R87.7Confident84.5Confident171 Ų17165.8 Ų65.865%0.64535%0.345SS*.  trans-138.256.7-176.1-63.2-64-176.6-155.35.2111A18 V19 G24 M25 Y26A18-R22 PolarHBondContact O-N 2.85Å; V19-R22 CarbonylContact O-C 3.54Å; V19-R22 PolarHBondContact O-N 2.97Å; V19-R22 VanDerWaalsContact O-N 3.15Å; R22-G24 PolarHBondContact O-N 3.44Å; R22-M25 HydrophobicContact CB-CG 4.28Å; R22-M25 HydrophobicContact CB-SD 4.01Å; R22-M25 HydrophobicContact CG-SD 4.42Å; R22-M25 PolarHBondContact O-N 3.03Å; R22-M25 VanDerWaalsContact O-N 3.1Å; R22-Y26 VanDerWaalsContact O-CD2 3.29Å; R22-Y26 WeakPolarHBondContact O-CD2 3.24Å
23P89.6Confident84.8Confident19 Ų1960.5 Ų60.512%0.12331%0.313CS..THydrogen-bonded Turntrans-58-37.4-173.824.8-35.8000112V19 M25 Y26 I27 T30 L126 T175V19-P23 VanDerWaalsContact O-CA 3.28Å; V19-P23 WeakPolarHBondContact O-CA 3.49Å; V19-P23 WeakPolarHBondContact O-CD 3.32Å; P23-M25 PolarHBondContact O-N 2.91Å; P23-Y26 PolarHBondContact O-N 3.44Å; P23-I27 PolarHBondContact O-N 2.67Å; P23-T30 HydrophobicContact CB-CG2 3.66Å; P23-T30 HydrophobicContact CG-CG2 3.61Å; P23-L126 HydrophobicContact CB-CD1 3.91Å; P23-L126 HydrophobicContact CB-CD2 3.86Å; P23-T175 HydrophobicContact CB-CG2 3.96Å; P23-T175 HydrophobicContact CG-CG2 3.98Å
24G85.1Confident85.3Confident40 Ų4060.2 Ų60.241%0.41231%0.314SS..Hα-helixtrans-47.6-35.6176.200000115.4R22 Y26 G28R22-G24 PolarHBondContact O-N 3.44Å; G24-Y26 VanDerWaalsContact C-N 3.3Å; G24-Y26 PolarHBondContact O-N 3.45Å; G24-G28 VanDerWaalsContact CA-O 3.27Å; G24-G28 WeakPolarHBondContact CA-O 3.06Å; G24-G28 PolarHBondContact O-N 3.15Å
25M83.5Confident86Confident132 Ų13252.6 Ų52.665%0.6528%0.281SS*.Hα-helixtrans-72.9-23.1-179.2-67.6-177.362.300113.5R22 P23R22-M25 HydrophobicContact CB-CG 4.28Å; R22-M25 HydrophobicContact CB-SD 4.01Å; R22-M25 HydrophobicContact CG-SD 4.42Å; R22-M25 PolarHBondContact O-N 3.03Å; R22-M25 VanDerWaalsContact O-N 3.1Å; P23-M25 PolarHBondContact O-N 2.91Å
26Y85.4Confident86.6Confident57 Ų5750.4 Ų50.422%0.22426%0.259CS..Hα-helixtrans-104.2-40.7-172.3-62.3-89.2000112.2V19 R22 P23 G24 L98 V118 V122V19-Y26 HydrophobicContact CB-CD2 4.24Å; V19-Y26 HydrophobicContact CB-CE2 4.26Å; V19-Y26 HydrophobicContact CG1-CD2 4Å; V19-Y26 HydrophobicContact CG1-CG 4.1Å; V19-Y26 HydrophobicContact CG2-CD1 4.19Å; V19-Y26 HydrophobicContact CG2-CD2 4.28Å; V19-Y26 HydrophobicContact CG2-CE1 4Å; V19-Y26 HydrophobicContact CG2-CE2 4.12Å; V19-Y26 HydrophobicContact CG2-CG 4.32Å; R22-Y26 VanDerWaalsContact O-CD2 3.29Å; R22-Y26 WeakPolarHBondContact O-CD2 3.24Å; P23-Y26 PolarHBondContact O-N 3.44Å; G24-Y26 VanDerWaalsContact C-N 3.3Å; G24-Y26 PolarHBondContact O-N 3.45Å; Y26-L98 HydrophobicContact CE1-CD1 4.5Å; Y26-V118 HydrophobicContact CD1-CG1 4Å; Y26-V122 HydrophobicContact CD1-CG2 3.9Å; Y26-V122 HydrophobicContact CG-CG2 4.11Å
27I86.5Confident86.8Confident2 Ų250 Ų501%0.0126%0.256CS..Hα-helixtrans-118.9-5.8-170.2-150.160000113.8P23 G35 H38 M39 E42 V122 L126P23-I27 PolarHBondContact O-N 2.67Å; I27-G35 VanDerWaalsContact CG1-O 3.26Å; I27-G35 WeakPolarHBondContact CG1-O 3.08Å; I27-G35 WeakPolarHBondContact O-CA 3.23Å; I27-H38 HydrophobicContact CD1-CB 3.93Å; I27-H38 HydrophobicContact CG1-CB 3.92Å; I27-H38 PolarHBondContact O-ND1 2.96Å; I27-M39 HydrophobicContact CD1-CG 4.35Å; I27-M39 HydrophobicContact CG1-CG 3.92Å; I27-E42 HydrophobicContact CD1-CG 3.95Å; I27-V122 HydrophobicContact CB-CG1 4.37Å; I27-V122 HydrophobicContact CD1-CG1 4.4Å; I27-L126 HydrophobicContact CB-CD1 4.27Å; I27-L126 HydrophobicContact CG2-CD1 3.81Å
28G83.1Confident87Confident11 Ų1147.9 Ų47.911%0.11324%0.244CC..SBendtrans90.6-170.8-171.700000112.3G24 T30G24-G28 VanDerWaalsContact CA-O 3.27Å; G24-G28 WeakPolarHBondContact CA-O 3.06Å; G24-G28 PolarHBondContact O-N 3.15Å; G28-T30 PolarHBondContact O-N 2.94Å
29D84.5Confident87.3Confident78 Ų7847 Ų4742%0.41724%0.236SC..  trans-61.9131.4-171.4-163.3-30.4000111.9D31 T34 G35D29-D31 WeakPolarHBondContact OD1-CB 3.4Å; D29-D31 PolarHBondContact OD1-N 3.46Å; D29-T34 PolarHBondContact O-OG1 2.55Å; D29-G35 VanDerWaalsContact O-CA 3.31Å; D29-G35 WeakPolarHBondContact O-CA 3.45Å; D29-G35 PolarHBondContact O-N 3.3Å
30T86.5Confident87.5Confident20 Ų2047 Ų4712%0.12324%0.237CC..SBendtrans-90.9-14-179.451.10000113.2P23 G28 T175 F176P23-T30 HydrophobicContact CB-CG2 3.66Å; P23-T30 HydrophobicContact CG-CG2 3.61Å; G28-T30 PolarHBondContact O-N 2.94Å; T30-T175 HydrophobicContact CG2-CG2 4Å; T30-F176 HydrophobicContact CG2-CD1 4.39Å; T30-F176 HydrophobicContact CG2-CE1 3.96Å
31D82.7Confident87.5Confident82 Ų8245.2 Ų45.244%0.43923%0.231SC..SBendtrans-94.7-25.6-172.6-68.1-25.8000112.8D29 N178D29-D31 WeakPolarHBondContact OD1-CB 3.4Å; D29-D31 PolarHBondContact OD1-N 3.46Å; D31-N178 WeakPolarHBondContact O-CB 3.42Å
32D82.2Confident87.6Confident86 Ų8640.2 Ų40.246%0.4621%0.209SC..SBendtrans-98.2-3.9-177.777.4-8.4000114.2T34D32-T34 VanDerWaalsContact OD1-CB 3.27Å; D32-T34 WeakPolarHBondContact OD1-CB 3.41Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.49Å; D32-T34 PolarHBondContact OD1-N 2.98Å; D32-T34 PolarHBondContact OD1-OG1 2.85Å; D32-T34 VanDerWaalsContact OD2-CG2 3.31Å; D32-T34 WeakPolarHBondContact OD2-CG2 3.22Å; D32-T34 PolarHBondContact OD2-OG1 2.88Å
33G83.5Confident87.9Confident2 Ų232.5 Ų32.52%0.02118%0.181CC..SBendtrans86.6-6.7-178.100000115.1G35 L36 H37G33-G35 PolarHBondContact O-N 3.01Å; G33-L36 WeakPolarHBondContact O-CB 3.41Å; G33-L36 PolarHBondContact O-N 2.83Å; G33-H37 PolarHBondContact O-N 3.4Å; G33-H37 PolarHBondContact O-ND1 3.35Å
34T85.6Confident88.1Confident62 Ų6231.6 Ų31.638%0.3818%0.175SC..Hα-helixtrans-63.3-44178.757.80000111.8D29 D32 L36 H37 H38D29-T34 PolarHBondContact O-OG1 2.55Å; D32-T34 VanDerWaalsContact OD1-CB 3.27Å; D32-T34 WeakPolarHBondContact OD1-CB 3.41Å; D32-T34 WeakPolarHBondContact OD1-CG2 3.49Å; D32-T34 PolarHBondContact OD1-N 2.98Å; D32-T34 PolarHBondContact OD1-OG1 2.85Å; D32-T34 VanDerWaalsContact OD2-CG2 3.31Å; D32-T34 WeakPolarHBondContact OD2-CG2 3.22Å; D32-T34 PolarHBondContact OD2-OG1 2.88Å; T34-L36 VanDerWaalsContact C-N 3.3Å; T34-L36 PolarHBondContact O-N 3.15Å; T34-H37 PolarHBondContact O-N 2.97Å; T34-H38 WeakPolarHBondContact O-CB 3.48Å; T34-H38 PolarHBondContact O-N 3.12Å
35G89.1Confident88.3Confident0 Ų030.2 Ų30.20%016%0.158CC..Hα-helixtrans-62.9-34.317500000113.4I27 D29 G33 H38 M39I27-G35 VanDerWaalsContact CG1-O 3.26Å; I27-G35 WeakPolarHBondContact CG1-O 3.08Å; I27-G35 WeakPolarHBondContact O-CA 3.23Å; D29-G35 VanDerWaalsContact O-CA 3.31Å; D29-G35 WeakPolarHBondContact O-CA 3.45Å; D29-G35 PolarHBondContact O-N 3.3Å; G33-G35 PolarHBondContact O-N 3.01Å; G35-H38 PolarHBondContact O-N 3.39Å; G35-M39 PolarHBondContact O-N 3.05Å
36L92.8Very high88.5Confident0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-61.7-49.6176.4178.465.2000110.8G33 T34 H38 M39 P171 F176 V179 F182G33-L36 WeakPolarHBondContact O-CB 3.41Å; G33-L36 PolarHBondContact O-N 2.83Å; T34-L36 VanDerWaalsContact C-N 3.3Å; T34-L36 PolarHBondContact O-N 3.15Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.45Å; L36-M39 WeakPolarHBondContact O-CB 3.36Å; L36-M39 PolarHBondContact O-N 3.11Å; L36-P171 HydrophobicContact CD1-CB 3.6Å; L36-P171 HydrophobicContact CD1-CG 3.49Å; L36-P171 VanDerWaalsContact CD1-CG 3.49Å; L36-F176 HydrophobicContact CB-CD1 3.93Å; L36-F176 HydrophobicContact CB-CE1 3.9Å; L36-F176 HydrophobicContact CD1-CD1 4.35Å; L36-F176 HydrophobicContact CD1-CD2 4.19Å; L36-F176 HydrophobicContact CD1-CE1 4.5Å; L36-F176 HydrophobicContact CD1-CE2 4.35Å; L36-F176 HydrophobicContact CD1-CG 4.2Å; L36-F176 HydrophobicContact CD1-CZ 4.49Å; L36-V179 HydrophobicContact CD2-CG1 4.48Å; L36-F182 HydrophobicContact CD1-CD1 4.37Å; L36-F182 HydrophobicContact CD1-CE1 3.67Å; L36-F182 HydrophobicContact CD1-CE2 4.33Å; L36-F182 HydrophobicContact CD1-CZ 3.67Å; L36-F182 HydrophobicContact CD2-CD1 4.27Å; L36-F182 HydrophobicContact CD2-CE1 4.38Å; L36-F182 HydrophobicContact CG-CD1 3.9Å; L36-F182 HydrophobicContact CG-CE1 3.61Å; L36-F182 HydrophobicContact CG-CZ 4.12Å; L36-F182 WeakPolarHBondContact O-CE1 3.32Å
37H92.6Very high88.8Confident3 Ų323.9 Ų23.91%0.01413%0.131CC..Hα-helixtrans-68.9-34.2179-66.583.4000112.5G33 T34 M39 V40 F41 E183 I186 L187G33-H37 PolarHBondContact O-N 3.4Å; G33-H37 PolarHBondContact O-ND1 3.35Å; T34-H37 PolarHBondContact O-N 2.97Å; H37-M39 PolarHBondContact O-N 2.84Å; H37-V40 WeakPolarHBondContact O-CB 3.28Å; H37-V40 PolarHBondContact O-N 3.49Å; H37-F41 HydrophobicContact CB-CE2 4.24Å; H37-F41 HydrophobicContact CB-CZ 4.29Å; H37-F41 PolarHBondContact O-N 2.95Å; H37-E183 WeakPolarHBondContact NE2-CA 3.46Å; H37-E183 WeakPolarHBondContact NE2-CB 3.44Å; H37-E183 PolarHBondContact NE2-N 3.07Å; H37-I186 HydrophobicContact CB-CG2 4.02Å; H37-L187 HydrophobicContact CB-CD2 4.45Å
38H89.7Confident89Confident36 Ų3623.9 Ų23.917%0.16713%0.131CC..Hα-helixtrans-64.6-27.6178.5-167.4-179.5000112.1I27 T34 G35 L36 V40 F41 E42I27-H38 HydrophobicContact CD1-CB 3.93Å; I27-H38 HydrophobicContact CG1-CB 3.92Å; I27-H38 PolarHBondContact O-ND1 2.96Å; T34-H38 WeakPolarHBondContact O-CB 3.48Å; T34-H38 PolarHBondContact O-N 3.12Å; G35-H38 PolarHBondContact O-N 3.39Å; L36-H38 VanDerWaalsContact C-N 3.34Å; L36-H38 PolarHBondContact O-N 3.45Å; H38-V40 VanDerWaalsContact C-N 3.28Å; H38-V40 PolarHBondContact O-N 2.84Å; H38-F41 PolarHBondContact O-N 2.91Å; H38-F41 VanDerWaalsContact O-N 3.16Å; H38-E42 IonicContact NE2-OE1 2.78Å; H38-E42 PolarHBondContact O-N 2.76Å
39M93.4Very high89.2Confident0 Ų023.6 Ų23.60%013%0.127CC..Hα-helixtrans-57.1-42.1168.4-67.3178.262.500112.1I27 G35 L36 H37 F41 V43 V123 L126 S127 F169 F176I27-M39 HydrophobicContact CD1-CG 4.35Å; I27-M39 HydrophobicContact CG1-CG 3.92Å; G35-M39 PolarHBondContact O-N 3.05Å; L36-M39 WeakPolarHBondContact O-CB 3.36Å; L36-M39 PolarHBondContact O-N 3.11Å; H37-M39 PolarHBondContact O-N 2.84Å; M39-F41 VanDerWaalsContact C-N 3.34Å; M39-V43 WeakPolarHBondContact O-CG2 3.35Å; M39-V43 PolarHBondContact O-N 2.86Å; M39-V123 HydrophobicContact CB-CG1 4.46Å; M39-V123 HydrophobicContact CB-CG2 4.05Å; M39-V123 HydrophobicContact CE-CB 4.34Å; M39-V123 HydrophobicContact CE-CG1 3.81Å; M39-V123 WeakPolarHBondContact CE-O 3.37Å; M39-V123 HydrophobicContact CG-CG2 4.43Å; M39-V123 WeakPolarHBondContact O-CG2 3.48Å; M39-L126 HydrophobicContact CE-CB 3.98Å; M39-L126 HydrophobicContact SD-CB 4Å; M39-S127 WeakPolarHBondContact CE-OG 3.28Å; M39-F169 HydrophobicContact CB-CE2 3.93Å; M39-F169 HydrophobicContact CB-CZ 4.02Å; M39-F169 HydrophobicContact CE-CD2 3.77Å; M39-F169 HydrophobicContact CE-CE2 3.76Å; M39-F176 HydrophobicContact CG-CZ 4.4Å; M39-F176 HydrophobicContact SD-CE2 3.41Å; M39-F176 WeakPolarHBondContact SD-CE2 3.29Å; M39-F176 HydrophobicContact SD-CZ 3.46Å; M39-F176 WeakPolarHBondContact SD-CZ 3.19Å
40V95Very high89.4Confident1 Ų120.9 Ų20.91%0.00611%0.112CC..Hα-helixtrans-63.9-43.9177-174.30000110.1H37 H38 E42 V43 V44 V61 V69 V71 F169 F182 L187H37-V40 WeakPolarHBondContact O-CB 3.28Å; H37-V40 PolarHBondContact O-N 3.49Å; H38-V40 VanDerWaalsContact C-N 3.28Å; H38-V40 PolarHBondContact O-N 2.84Å; V40-E42 PolarHBondContact O-N 2.93Å; V40-V43 PolarHBondContact O-N 2.91Å; V40-V44 HydrophobicContact CG1-CG2 4.14Å; V40-V44 WeakPolarHBondContact O-CG2 3.25Å; V40-V44 PolarHBondContact O-N 3.43Å; V40-V61 HydrophobicContact CG1-CG1 4.12Å; V40-V69 HydrophobicContact CG1-CG1 4.01Å; V40-V69 HydrophobicContact CG2-CB 4.36Å; V40-V69 HydrophobicContact CG2-CG1 4.02Å; V40-V69 HydrophobicContact CG2-CG2 4.29Å; V40-V71 HydrophobicContact CG1-CG2 4.34Å; V40-F169 HydrophobicContact CB-CZ 4.47Å; V40-F169 HydrophobicContact CG2-CZ 3.78Å; V40-F182 HydrophobicContact CG2-CD1 3.87Å; V40-F182 HydrophobicContact CG2-CE1 3.48Å; V40-F182 VanDerWaalsContact CG2-CE1 3.48Å; V40-F182 HydrophobicContact CG2-CZ 4.27Å; V40-L187 HydrophobicContact CB-CD2 3.88Å; V40-L187 HydrophobicContact CG1-CD1 4.33Å; V40-L187 HydrophobicContact CG1-CD2 3.94Å; V40-L187 HydrophobicContact CG2-CD1 4.39Å; V40-L187 HydrophobicContact CG2-CD2 4Å
41F91.6Very high89.5Confident33 Ų3320.6 Ų20.615%0.14511%0.112CC..Hα-helixtrans-64.3-38.2-178-56.1-28.8000112.7H37 H38 M39 V43 V44 D45 I186 L187 R190H37-F41 HydrophobicContact CB-CE2 4.24Å; H37-F41 HydrophobicContact CB-CZ 4.29Å; H37-F41 PolarHBondContact O-N 2.95Å; H38-F41 PolarHBondContact O-N 2.91Å; H38-F41 VanDerWaalsContact O-N 3.16Å; M39-F41 VanDerWaalsContact C-N 3.34Å; F41-V43 VanDerWaalsContact C-N 3.28Å; F41-V43 PolarHBondContact O-N 3.27Å; F41-V44 PolarHBondContact O-N 3.24Å; F41-D45 VanDerWaalsContact O-CB 3.3Å; F41-D45 WeakPolarHBondContact O-CB 3.32Å; F41-D45 PolarHBondContact O-N 2.88Å; F41-I186 HydrophobicContact CZ-CG2 4.02Å; F41-L187 HydrophobicContact CD1-CD2 4.38Å; F41-L187 HydrophobicContact CE1-CD2 3.6Å; F41-L187 HydrophobicContact CZ-CD2 4.11Å; F41-R190 HydrophobicContact CD1-CB 4.16Å; F41-R190 HydrophobicContact CD1-CG 3.68Å; F41-R190 HydrophobicContact CD2-CG 4.48Å; F41-R190 HydrophobicContact CE1-CB 3.46Å; F41-R190 VanDerWaalsContact CE1-CB 3.46Å; F41-R190 HydrophobicContact CE1-CG 3.5Å; F41-R190 VanDerWaalsContact CE1-CG 3.5Å; F41-R190 HydrophobicContact CE2-CG 4.34Å; F41-R190 HydrophobicContact CG-CG 4.18Å; F41-R190 HydrophobicContact CZ-CB 3.67Å; F41-R190 HydrophobicContact CZ-CG 3.85Å
42E89.9Confident89.4Confident10 Ų1020.1 Ų20.15%0.04711%0.108CC..Hα-helixtrans-63-33.8175.5-74.1-68.7162.600112.5I27 H38 V40 N46 G119 V123I27-E42 HydrophobicContact CD1-CG 3.95Å; H38-E42 IonicContact NE2-OE1 2.78Å; H38-E42 PolarHBondContact O-N 2.76Å; V40-E42 PolarHBondContact O-N 2.93Å; E42-N46 PolarHBondContact O-ND2 3.16Å; E42-N46 VanDerWaalsContact O-ND2 3.16Å; E42-G119 WeakPolarHBondContact OE2-CA 3.4Å; E42-V123 HydrophobicContact CB-CG2 4.06Å
43V93.7Very high89.4Confident8 Ų817.8 Ų17.85%0.04810%0.101CC..Hα-helixtrans-75-43.3174.5-172.60000111.1M39 V40 F41 D45 N46 A47 V71 V123 V167 F169M39-V43 WeakPolarHBondContact O-CG2 3.35Å; M39-V43 PolarHBondContact O-N 2.86Å; V40-V43 PolarHBondContact O-N 2.91Å; F41-V43 VanDerWaalsContact C-N 3.28Å; F41-V43 PolarHBondContact O-N 3.27Å; V43-D45 PolarHBondContact O-N 3.49Å; V43-N46 PolarHBondContact O-N 3.2Å; V43-A47 PolarHBondContact O-N 2.95Å; V43-V71 HydrophobicContact CB-CB 4.33Å; V43-V71 HydrophobicContact CB-CG2 4.02Å; V43-V71 HydrophobicContact CG1-CB 3.61Å; V43-V71 HydrophobicContact CG1-CG1 4.11Å; V43-V71 HydrophobicContact CG1-CG2 3.83Å; V43-V123 HydrophobicContact CG2-CB 4.37Å; V43-V123 HydrophobicContact CG2-CG1 3.96Å; V43-V123 HydrophobicContact CG2-CG2 4Å; V43-V167 HydrophobicContact CG1-CB 3.82Å; V43-V167 HydrophobicContact CG1-CG1 4.11Å; V43-V167 HydrophobicContact CG1-CG2 4.25Å; V43-V167 HydrophobicContact CG2-CG1 4.34Å; V43-F169 HydrophobicContact CG2-CD1 4.49Å; V43-F169 HydrophobicContact CG2-CE1 4.2Å
44V93.7Very high89.5Confident0 Ų020.8 Ų20.80%013%0.132CC..Hα-helixtrans-63-40.7177.7170.90000111.8V40 F41 N46 A47 I48 V61 V71 L191 L194V40-V44 HydrophobicContact CG1-CG2 4.14Å; V40-V44 WeakPolarHBondContact O-CG2 3.25Å; V40-V44 PolarHBondContact O-N 3.43Å; F41-V44 PolarHBondContact O-N 3.24Å; V44-N46 PolarHBondContact O-N 3.33Å; V44-A47 WeakPolarHBondContact O-CA 3.45Å; V44-A47 WeakPolarHBondContact O-CB 3.4Å; V44-A47 PolarHBondContact O-N 3.2Å; V44-I48 HydrophobicContact CG1-CG1 4.14Å; V44-I48 WeakPolarHBondContact O-CG1 3.28Å; V44-I48 PolarHBondContact O-N 3.27Å; V44-V61 HydrophobicContact CG2-CG2 3.83Å; V44-V71 HydrophobicContact CG2-CG1 3.95Å; V44-V71 HydrophobicContact CG2-CG2 3.85Å; V44-L191 HydrophobicContact CG1-CD2 3.72Å; V44-L191 HydrophobicContact CG2-CD2 4.03Å; V44-L194 HydrophobicContact CG1-CD1 3.62Å
45D88.9Confident89.8Confident12 Ų1222 Ų226%0.06413%0.134CC..Hα-helixtrans-61.5-33.3-179.4-78-11.4000111.2F41 V43 I48 D49 R190F41-D45 VanDerWaalsContact O-CB 3.3Å; F41-D45 WeakPolarHBondContact O-CB 3.32Å; F41-D45 PolarHBondContact O-N 2.88Å; V43-D45 PolarHBondContact O-N 3.49Å; D45-I48 PolarHBondContact O-N 3.15Å; D45-D49 VanDerWaalsContact O-CG 3.29Å; D45-D49 PolarHBondContact O-N 3.45Å; D45-R190 IonicContact OD1-NH2 3.6Å
46N88.7Confident90Very high55 Ų5522.4 Ų22.429%0.29414%0.136SC..Hα-helixtrans-67.3-38.7173-66.5-36.3000112.4E42 V43 V44 I48 D49 E50E42-N46 PolarHBondContact O-ND2 3.16Å; E42-N46 VanDerWaalsContact O-ND2 3.16Å; V43-N46 PolarHBondContact O-N 3.2Å; V44-N46 PolarHBondContact O-N 3.33Å; N46-I48 VanDerWaalsContact C-N 3.34Å; N46-D49 PolarHBondContact O-N 2.59Å; N46-E50 PolarHBondContact O-N 3.06Å
47A92.2Very high90.1Very high1 Ų130 Ų301%0.00817%0.169CC..Hα-helixtrans-66.2-37.8173.700000111.6V43 V44 D49 E50 A51 I59 D73V43-A47 PolarHBondContact O-N 2.95Å; V44-A47 WeakPolarHBondContact O-CA 3.45Å; V44-A47 WeakPolarHBondContact O-CB 3.4Å; V44-A47 PolarHBondContact O-N 3.2Å; A47-D49 VanDerWaalsContact C-N 3.35Å; A47-E50 WeakPolarHBondContact O-CB 3.29Å; A47-E50 PolarHBondContact O-N 3.4Å; A47-A51 PolarHBondContact O-N 3.13Å; A47-A51 VanDerWaalsContact O-N 3.11Å; A47-I59 HydrophobicContact CB-CD1 3.74Å; A47-I59 HydrophobicContact CB-CG1 4.03Å; A47-I59 HydrophobicContact CB-CG2 4.17Å; A47-D73 HydrophobicContact CB-CB 3.74Å
48I90.5Very high90.2Very high2 Ų233 Ų331%0.0118%0.183CC..Hα-helixtrans-65.7-36.9173.7-66.7-69.5000111.5V44 D45 N46 E50 A51 L52 I59 L194 I203 N272V44-I48 HydrophobicContact CG1-CG1 4.14Å; V44-I48 WeakPolarHBondContact O-CG1 3.28Å; V44-I48 PolarHBondContact O-N 3.27Å; D45-I48 PolarHBondContact O-N 3.15Å; N46-I48 VanDerWaalsContact C-N 3.34Å; I48-E50 VanDerWaalsContact C-N 3.3Å; I48-E50 PolarHBondContact O-N 3.19Å; I48-A51 CarbonylContact O-C 3.5Å; I48-A51 WeakPolarHBondContact O-CB 3.19Å; I48-A51 PolarHBondContact O-N 3.13Å; I48-A51 VanDerWaalsContact O-N 3.09Å; I48-L52 HydrophobicContact CG2-CD1 4.37Å; I48-L52 HydrophobicContact CG2-CG 4.38Å; I48-L52 WeakPolarHBondContact O-CG 3.48Å; I48-L52 PolarHBondContact O-N 3.28Å; I48-I59 HydrophobicContact CD1-CD1 3.58Å; I48-I59 HydrophobicContact CG1-CD1 4.05Å; I48-L194 HydrophobicContact CD1-CB 4.15Å; I48-L194 HydrophobicContact CD1-CD1 4.48Å; I48-L194 HydrophobicContact CG1-CD1 4.14Å; I48-L194 HydrophobicContact CG1-CD2 4.24Å; I48-L194 HydrophobicContact CG2-CD2 4.49Å; I48-I203 HydrophobicContact CD1-CD1 3.93Å; I48-N272 WeakPolarHBondContact CG2-ND2 3.43Å
49D86.4Confident90.6Very high4 Ų431.3 Ų31.32%0.02118%0.175CC..Hα-helixtrans-63-35.9174.6-73-25.7000111.4D45 N46 A47 A51 L52 A53 K103 Y109 S112 G113D45-D49 VanDerWaalsContact O-CG 3.29Å; D45-D49 PolarHBondContact O-N 3.45Å; N46-D49 PolarHBondContact O-N 2.59Å; A47-D49 VanDerWaalsContact C-N 3.35Å; D49-A51 VanDerWaalsContact C-N 3.34Å; D49-L52 PolarHBondContact O-N 3.34Å; D49-A53 WeakPolarHBondContact O-CB 3.39Å; D49-A53 PolarHBondContact O-N 3.11Å; D49-K103 WeakPolarHBondContact OD2-CE 3.47Å; D49-K103 IonicContact OD2-NZ 3.43Å; D49-K103 PolarHBondContact OD2-NZ 3.35Å; D49-Y109 HydrophobicContact CB-CD1 4.38Å; D49-Y109 HydrophobicContact CB-CE1 4.11Å; D49-S112 WeakPolarHBondContact OD1-CA 3.25Å; D49-G113 PolarHBondContact OD1-N 2.91Å
50E89.6Confident90.8Very high22 Ų2232.5 Ų32.510%0.10318%0.182CC..Hα-helixtrans-65.4-35.9170.6-74.9-61.8107.100112.5N46 A47 I48 A53 G54 H55 C56 R76 Y109N46-E50 PolarHBondContact O-N 3.06Å; A47-E50 WeakPolarHBondContact O-CB 3.29Å; A47-E50 PolarHBondContact O-N 3.4Å; I48-E50 VanDerWaalsContact C-N 3.3Å; I48-E50 PolarHBondContact O-N 3.19Å; E50-A53 PolarHBondContact O-N 3.17Å; E50-G54 PolarHBondContact O-N 3.23Å; E50-H55 PolarHBondContact O-N 3.24Å; E50-C56 HydrophobicContact CB-CB 3.8Å; E50-C56 PolarHBondContact O-N 3.09Å; E50-R76 IonicContact OE1-CZ 2.64Å; E50-R76 IonicContact OE1-NE 2.65Å; E50-R76 IonicContact OE1-NH2 3.78Å; E50-R76 PolarHBondContact OE1-NH2 3.35Å; E50-R76 WeakPolarHBondContact OE2-CB 3.44Å; E50-R76 IonicContact OE2-CZ 2.76Å; E50-R76 PolarHBondContact OE2-N 3.34Å; E50-R76 VanDerWaalsContact OE2-N 3.15Å; E50-R76 IonicContact OE2-NE 2.94Å; E50-R76 PolarHBondContact OE2-NE 3.41Å; E50-R76 IonicContact OE2-NH2 2.58Å; E50-R76 PolarHBondContact OE2-NH2 3.03Å; E50-Y109 PolarHBondContact OE1-OH 3.49Å
51A88.3Confident91Very high14 Ų1432.5 Ų32.512%0.11618%0.181CC..Hα-helixtrans-70.4-41.5176.700000111.7A47 I48 D49 A53 G54 C56 V201A47-A51 PolarHBondContact O-N 3.13Å; A47-A51 VanDerWaalsContact O-N 3.11Å; I48-A51 CarbonylContact O-C 3.5Å; I48-A51 WeakPolarHBondContact O-CB 3.19Å; I48-A51 PolarHBondContact O-N 3.13Å; I48-A51 VanDerWaalsContact O-N 3.09Å; D49-A51 VanDerWaalsContact C-N 3.34Å; A51-A53 PolarHBondContact O-N 2.89Å; A51-G54 WeakPolarHBondContact O-CA 3.4Å; A51-G54 PolarHBondContact O-N 2.84Å; A51-C56 HydrophobicContact CB-CB 3.99Å; A51-V201 HydrophobicContact CB-CG1 4.28Å; A51-V201 HydrophobicContact CB-CG2 3.64Å
52L80.9Confident91.3Very high71 Ų7131.5 Ų31.537%0.37218%0.178SC..Hα-helixtrans-60.4-34.5172.6-77.4175.5000112.2I48 D49 G54 N198I48-L52 HydrophobicContact CG2-CD1 4.37Å; I48-L52 HydrophobicContact CG2-CG 4.38Å; I48-L52 WeakPolarHBondContact O-CG 3.48Å; I48-L52 PolarHBondContact O-N 3.28Å; D49-L52 PolarHBondContact O-N 3.34Å; L52-G54 PolarHBondContact O-N 3.01Å; L52-N198 WeakPolarHBondContact CD2-OD1 3.47Å; L52-N198 WeakPolarHBondContact CG-OD1 3.43Å
53A81.9Confident91.6Very high37 Ų3731 Ų3131%0.30618%0.176SC..THydrogen-bonded Turntrans-76.4-2.1173.300000113.5D49 E50 A51 H55 Y109D49-A53 WeakPolarHBondContact O-CB 3.39Å; D49-A53 PolarHBondContact O-N 3.11Å; E50-A53 PolarHBondContact O-N 3.17Å; A51-A53 PolarHBondContact O-N 2.89Å; A53-H55 PolarHBondContact O-CD2 2.84Å; A53-Y109 HydrophobicContact CB-CE1 4.23Å
54G86.1Confident91.5Very high66 Ų6631.6 Ų31.668%0.6818%0.178SC*.THydrogen-bonded Turntrans80.716.6176.900000114.7E50 A51 L52E50-G54 PolarHBondContact O-N 3.23Å; A51-G54 WeakPolarHBondContact O-CA 3.4Å; A51-G54 PolarHBondContact O-N 2.84Å; L52-G54 PolarHBondContact O-N 3.01Å
55H91.2Very high91Very high88 Ų8834.3 Ų34.341%0.40720%0.201SC..  trans-106.7-20.5-175.3-65.4-64.7000114.6E50 A53 R76E50-H55 PolarHBondContact O-N 3.24Å; A53-H55 PolarHBondContact O-CD2 2.84Å; H55-R76 HydrophobicContact CB-CG 3.8Å; H55-R76 VanDerWaalsContact CD2-CD 3.43Å; H55-R76 WeakPolarHBondContact CD2-CD 3.48Å; H55-R76 PolarHBondContact CD2-NE 3.37Å; H55-R76 PolarHBondContact CD2-NH1 3.47Å; H55-R76 VanDerWaalsContact CD2-NH1 3.27Å; H55-R76 PolarHBondContact NE2-NH1 3.47Å
56C93.4Very high90.7Very high7 Ų737.5 Ų37.55%0.04722%0.217CC..  trans-111.2138.6178.1170.90000110.7E50 A51 D74E50-C56 HydrophobicContact CB-CB 3.8Å; E50-C56 PolarHBondContact O-N 3.09Å; A51-C56 HydrophobicContact CB-CB 3.99Å; C56-D74 VanDerWaalsContact CA-OD1 3.3Å; C56-D74 WeakPolarHBondContact CA-OD1 3.48Å; C56-D74 PolarHBondContact SG-OD1 3.1Å
57K93.6Very high90.6Very high160 Ų16036.4 Ų36.470%0.69621%0.212SC*.  trans-117.7-31.8174.7-61.7-178.2-179178.10112.4D74 S202K57-D74 PolarHBondContact N-OD1 2.87Å; K57-D74 PolarHBondContact N-OD2 2.88Å; K57-S202 WeakPolarHBondContact O-CB 3.38Å; K57-S202 PolarHBondContact O-N 2.93Å
58E96.2Very high90.7Very high66 Ų6636.3 Ų36.331%0.30821%0.211SC..EExtended strand (participates in β ladder)trans-128.1129.8-176.5-170.7167.1-144.300112.3I60 D74 S202 R204E58-I60 HydrophobicContact CG-CG1 4.18Å; E58-D74 PolarHBondContact N-OD1 2.78Å; E58-D74 PolarHBondContact N-OD2 3.14Å; E58-D74 PolarHBondContact O-N 2.72Å; E58-S202 CarbonylContact C-O 3.3Å; E58-S202 WeakPolarHBondContact CA-O 3.46Å; E58-R204 IonicContact OE1-CZ 2.7Å; E58-R204 IonicContact OE1-NE 3.81Å; E58-R204 PolarHBondContact OE1-NE 3.36Å; E58-R204 IonicContact OE1-NH2 3.16Å
59I97.6Very high91Very high0 Ų036.2 Ų36.20%021%0.211CC..EExtended strand (participates in β ladder)trans-122129.8174.8-55.4173.4000108.4A47 I48 V61 V71 Q72 V201 S202 I203 R204A47-I59 HydrophobicContact CB-CD1 3.74Å; A47-I59 HydrophobicContact CB-CG1 4.03Å; A47-I59 HydrophobicContact CB-CG2 4.17Å; I48-I59 HydrophobicContact CD1-CD1 3.58Å; I48-I59 HydrophobicContact CG1-CD1 4.05Å; I59-V61 HydrophobicContact CG2-CG2 4.45Å; I59-V71 HydrophobicContact CG2-CG1 4.12Å; I59-Q72 CarbonylContact C-O 3.58Å; I59-Q72 VanDerWaalsContact CA-O 3.28Å; I59-Q72 WeakPolarHBondContact CA-O 3.27Å; I59-V201 HydrophobicContact CD1-CG1 4.05Å; I59-V201 HydrophobicContact CG1-CG1 4.37Å; I59-S202 PolarHBondContact N-O 2.7Å; I59-I203 HydrophobicContact CB-CG1 4.4Å; I59-I203 HydrophobicContact CB-CG2 4.46Å; I59-I203 CarbonylContact O-C 3.55Å; I59-I203 WeakPolarHBondContact O-CA 3.29Å; I59-R204 PolarHBondContact O-N 3.38Å
60I98Very high91.6Very high26 Ų2636.5 Ų36.513%0.13321%0.213CC..EExtended strand (participates in β ladder)trans-120.7116179.4-53.6174.4000109E58 V71 Q72 R204E58-I60 HydrophobicContact CG-CG1 4.18Å; I60-V71 WeakPolarHBondContact O-CA 3.47Å; I60-Q72 HydrophobicContact CB-CB 4.38Å; I60-Q72 PolarHBondContact N-O 3.04Å; I60-Q72 PolarHBondContact O-N 3.35Å; I60-R204 HydrophobicContact CG1-CB 4.49Å; I60-R204 HydrophobicContact CG2-CB 4.47Å
61V98.3Very high92Very high0 Ų035.5 Ų35.50%021%0.208CC..EExtended strand (participates in β ladder)trans-103.4124172.7-174.90000108.4V40 V44 I59 V69 S70 V71 L191 R204 L205 R206V40-V61 HydrophobicContact CG1-CG1 4.12Å; V44-V61 HydrophobicContact CG2-CG2 3.83Å; I59-V61 HydrophobicContact CG2-CG2 4.45Å; V61-V69 HydrophobicContact CG1-CG1 4.11Å; V61-S70 CarbonylContact C-O 3.56Å; V61-S70 WeakPolarHBondContact CA-O 3.4Å; V61-V71 HydrophobicContact CG1-CG2 4.44Å; V61-V71 HydrophobicContact CG2-CG1 4.41Å; V61-V71 HydrophobicContact CG2-CG2 4.3Å; V61-L191 HydrophobicContact CB-CD1 3.99Å; V61-L191 HydrophobicContact CG1-CD1 4.4Å; V61-L191 HydrophobicContact CG2-CD1 3.83Å; V61-L191 HydrophobicContact CG2-CD2 3.93Å; V61-R204 PolarHBondContact N-O 2.91Å; V61-L205 HydrophobicContact CB-CD1 3.91Å; V61-L205 HydrophobicContact CG1-CD1 3.74Å; V61-L205 CarbonylContact O-C 3.59Å; V61-L205 WeakPolarHBondContact O-CA 3.27Å; V61-R206 PolarHBondContact O-N 3.12Å
62T97.8Very high92.4Very high12 Ų1238.3 Ų38.37%0.07422%0.219CC..EExtended strand (participates in β ladder)trans-125.7122.8180-56.90000110.4H64 V69 S70 R206 K208T62-H64 PolarHBondContact O-CD2 2.77Å; T62-V69 CarbonylContact O-C 3.45Å; T62-V69 VanDerWaalsContact O-CA 3.3Å; T62-V69 WeakPolarHBondContact O-CA 2.95Å; T62-S70 PolarHBondContact N-O 3.47Å; T62-S70 PolarHBondContact O-N 2.77Å; T62-R206 CarbonylContact C-O 3.56Å; T62-R206 WeakPolarHBondContact CA-O 3.43Å; T62-R206 HydrophobicContact CG2-CB 4.29Å; T62-K208 HydrophobicContact CG2-CD 3.76Å; T62-K208 HydrophobicContact CG2-CG 3.91Å
63I96.2Very high93.2Very high0 Ų035.9 Ų35.90%021%0.206CC..EExtended strand (participates in β ladder)trans-85.9119.4162.7-48.9174000107V69 F182 Y184 L187 R206 K208I63-V69 HydrophobicContact CG1-CG2 4.21Å; I63-V69 HydrophobicContact CG2-CG2 4.49Å; I63-F182 HydrophobicContact CD1-CB 4.21Å; I63-F182 HydrophobicContact CG2-CB 4.43Å; I63-Y184 HydrophobicContact CD1-CD2 4.27Å; I63-L187 HydrophobicContact CD1-CD1 3.94Å; I63-L187 HydrophobicContact CG1-CD1 4.1Å; I63-R206 PolarHBondContact N-O 3.34Å; I63-K208 WeakPolarHBondContact O-CB 3.18Å; I63-K208 PolarHBondContact O-N 3.05Å
64H92.5Very high93.9Very high20 Ų2036.7 Ų36.79%0.09321%0.206CC..  trans-87.9162.8-176-67.5-91.1000111.5T62 D66 N67 S68 S70 R209T62-H64 PolarHBondContact O-CD2 2.77Å; H64-D66 WeakPolarHBondContact CB-OD1 3.38Å; H64-D66 PolarHBondContact O-N 2.86Å; H64-N67 WeakPolarHBondContact O-CA 3.24Å; H64-N67 PolarHBondContact O-N 2.86Å; H64-S68 WeakPolarHBondContact CB-OG 3.45Å; H64-S68 PolarHBondContact N-O 3.41Å; H64-S70 WeakPolarHBondContact NE2-CB 3.21Å; H64-S70 PolarHBondContact NE2-OG 2.77Å; H64-R209 WeakPolarHBondContact O-CG 3.26Å
65A83.2Confident94.3Very high58 Ų5833.6 Ų33.648%0.47917%0.174SC..THydrogen-bonded Turntrans-62.4-24.2178.700000113.5N67A65-N67 PolarHBondContact O-N 2.88Å
66D82.8Confident94.5Very high78 Ų7833.4 Ų33.442%0.41717%0.169SC..THydrogen-bonded Turntrans-869.7173.269.2-5.5000113.4H64 S68 R168 W170H64-D66 WeakPolarHBondContact CB-OD1 3.38Å; H64-D66 PolarHBondContact O-N 2.86Å; D66-S68 PolarHBondContact O-N 2.77Å; D66-S68 WeakPolarHBondContact OD1-CB 3.33Å; D66-S68 PolarHBondContact OD1-N 2.64Å; D66-S68 PolarHBondContact OD1-OG 2.77Å; D66-S68 PolarHBondContact OD2-OG 3Å; D66-R168 IonicContact OD1-NH2 2.91Å; D66-R168 PolarHBondContact OD1-NH2 2.67Å; D66-R168 IonicContact OD2-NH2 3.05Å; D66-R168 PolarHBondContact OD2-NH2 3.26Å; D66-W170 PolarHBondContact OD2-NE1 2.66Å
67N85.1Confident94.5Very high32 Ų3233.4 Ų33.417%0.17117%0.17CC..SBendtrans63.316.8-179.7-167.661.7000114.3H64 A65 T180 F182 R209H64-N67 WeakPolarHBondContact O-CA 3.24Å; H64-N67 PolarHBondContact O-N 2.86Å; A65-N67 PolarHBondContact O-N 2.88Å; N67-T180 PolarHBondContact ND2-O 3.43Å; N67-F182 WeakPolarHBondContact O-CD2 3.3Å; N67-F182 VanDerWaalsContact O-CE2 3.26Å; N67-F182 WeakPolarHBondContact O-CE2 3.44Å; N67-F182 PolarHBondContact OD1-N 3.13Å; N67-R209 PolarHBondContact OD1-NH1 3.01Å; N67-R209 VanDerWaalsContact OD1-NH1 3.09Å
68S94.6Very high94.5Very high0 Ų027.3 Ų27.30%015%0.145CC..  trans-76.4161.4161.5640000111.5H64 D66 R168 F169H64-S68 WeakPolarHBondContact CB-OG 3.45Å; H64-S68 PolarHBondContact N-O 3.41Å; D66-S68 PolarHBondContact O-N 2.77Å; D66-S68 WeakPolarHBondContact OD1-CB 3.33Å; D66-S68 PolarHBondContact OD1-N 2.64Å; D66-S68 PolarHBondContact OD1-OG 2.77Å; D66-S68 PolarHBondContact OD2-OG 3Å; S68-R168 PolarHBondContact OG-NE 3.4Å; S68-R168 PolarHBondContact OG-NH2 2.94Å; S68-R168 VanDerWaalsContact OG-NH2 3.1Å; S68-F169 WeakPolarHBondContact CA-O 3.36Å; S68-F169 VanDerWaalsContact CB-O 3.25Å; S68-F169 WeakPolarHBondContact CB-O 3.19Å
69V97.4Very high94.4Very high0 Ų027.1 Ų27.10%015%0.15CC..EExtended strand (participates in β ladder)trans-121.3136.8173.7173.10000109.7V40 V61 T62 I63 R168 F169 F182V40-V69 HydrophobicContact CG1-CG1 4.01Å; V40-V69 HydrophobicContact CG2-CB 4.36Å; V40-V69 HydrophobicContact CG2-CG1 4.02Å; V40-V69 HydrophobicContact CG2-CG2 4.29Å; V61-V69 HydrophobicContact CG1-CG1 4.11Å; T62-V69 CarbonylContact O-C 3.45Å; T62-V69 VanDerWaalsContact O-CA 3.3Å; T62-V69 WeakPolarHBondContact O-CA 2.95Å; I63-V69 HydrophobicContact CG1-CG2 4.21Å; I63-V69 HydrophobicContact CG2-CG2 4.49Å; V69-R168 CarbonylContact O-C 3.53Å; V69-R168 VanDerWaalsContact O-CA 3.32Å; V69-R168 WeakPolarHBondContact O-CA 3.4Å; V69-F169 HydrophobicContact CB-CE1 4.02Å; V69-F169 HydrophobicContact CB-CZ 4.05Å; V69-F169 HydrophobicContact CG1-CE1 4.14Å; V69-F169 HydrophobicContact CG1-CZ 4.4Å; V69-F169 PolarHBondContact N-O 3.4Å; V69-F169 VanDerWaalsContact N-O 3.1Å; V69-F169 WeakPolarHBondContact O-CD1 3.48Å; V69-F169 PolarHBondContact O-N 2.99Å; V69-F182 HydrophobicContact CB-CE2 4.25Å; V69-F182 HydrophobicContact CB-CZ 4.28Å; V69-F182 HydrophobicContact CG2-CB 4.46Å; V69-F182 HydrophobicContact CG2-CD1 4.02Å; V69-F182 HydrophobicContact CG2-CD2 3.41Å; V69-F182 VanDerWaalsContact CG2-CD2 3.41Å; V69-F182 HydrophobicContact CG2-CE1 4.02Å; V69-F182 HydrophobicContact CG2-CE2 3.4Å; V69-F182 VanDerWaalsContact CG2-CE2 3.4Å; V69-F182 HydrophobicContact CG2-CG 3.7Å; V69-F182 HydrophobicContact CG2-CZ 3.7Å
70S98Very high94.2Very high9 Ų928.1 Ų28.16%0.06316%0.156CC..EExtended strand (participates in β ladder)trans-115.6140.2166.465.40000111.7V61 T62 H64 V167V61-S70 CarbonylContact C-O 3.56Å; V61-S70 WeakPolarHBondContact CA-O 3.4Å; T62-S70 PolarHBondContact N-O 3.47Å; T62-S70 PolarHBondContact O-N 2.77Å; H64-S70 WeakPolarHBondContact NE2-CB 3.21Å; H64-S70 PolarHBondContact NE2-OG 2.77Å; S70-V167 CarbonylContact C-O 3.52Å; S70-V167 VanDerWaalsContact CA-O 3.25Å; S70-V167 WeakPolarHBondContact CA-O 3.39Å
71V98.3Very high94Very high2 Ų229.1 Ų29.11%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-118.2124.1168.4-177.20000107.4V40 V43 V44 I59 I60 V61 M166 V167V40-V71 HydrophobicContact CG1-CG2 4.34Å; V43-V71 HydrophobicContact CB-CB 4.33Å; V43-V71 HydrophobicContact CB-CG2 4.02Å; V43-V71 HydrophobicContact CG1-CB 3.61Å; V43-V71 HydrophobicContact CG1-CG1 4.11Å; V43-V71 HydrophobicContact CG1-CG2 3.83Å; V44-V71 HydrophobicContact CG2-CG1 3.95Å; V44-V71 HydrophobicContact CG2-CG2 3.85Å; I59-V71 HydrophobicContact CG2-CG1 4.12Å; I60-V71 WeakPolarHBondContact O-CA 3.47Å; V61-V71 HydrophobicContact CG1-CG2 4.44Å; V61-V71 HydrophobicContact CG2-CG1 4.41Å; V61-V71 HydrophobicContact CG2-CG2 4.3Å; V71-M166 WeakPolarHBondContact O-CA 3.37Å; V71-V167 PolarHBondContact N-O 3.28Å; V71-V167 PolarHBondContact O-N 3.44Å
72Q97.9Very high93.8Very high73 Ų7334.7 Ų34.734%0.34120%0.201SC..EExtended strand (participates in β ladder)trans-120.1133178-178.7178.4200109.7I59 I60 T165 M166I59-Q72 CarbonylContact C-O 3.58Å; I59-Q72 VanDerWaalsContact CA-O 3.28Å; I59-Q72 WeakPolarHBondContact CA-O 3.27Å; I60-Q72 HydrophobicContact CB-CB 4.38Å; I60-Q72 PolarHBondContact N-O 3.04Å; I60-Q72 PolarHBondContact O-N 3.35Å; Q72-T165 CarbonylContact C-O 3.57Å; Q72-T165 VanDerWaalsContact CA-O 3.3Å; Q72-T165 WeakPolarHBondContact CA-O 3.33Å; Q72-M166 HydrophobicContact CB-CB 4.25Å; Q72-M166 HydrophobicContact CB-CG 4.13Å; Q72-M166 HydrophobicContact CG-CB 4.24Å
73D97.5Very high93.5Very high20 Ų2037 Ų3711%0.10721%0.211CC..EExtended strand (participates in β ladder)trans-121.4157.2171.369.982.5000111.3A47 G75 G164 T165A47-D73 HydrophobicContact CB-CB 3.74Å; D73-G75 WeakPolarHBondContact OD1-CA 3.32Å; D73-G75 PolarHBondContact OD1-N 3.1Å; D73-G164 WeakPolarHBondContact O-CA 3.32Å; D73-T165 PolarHBondContact N-O 3.28Å; D73-T165 PolarHBondContact O-N 3.24Å; D73-T165 PolarHBondContact OD1-N 2.95Å; D73-T165 WeakPolarHBondContact OD2-CB 3.37Å
74D96.7Very high93.1Very high54 Ų5443 Ų4329%0.28925%0.25SC..  trans-99.223172.970.9-22.8000113.2C56 K57 E58C56-D74 VanDerWaalsContact CA-OD1 3.3Å; C56-D74 WeakPolarHBondContact CA-OD1 3.48Å; C56-D74 PolarHBondContact SG-OD1 3.1Å; K57-D74 PolarHBondContact N-OD1 2.87Å; K57-D74 PolarHBondContact N-OD2 2.88Å; E58-D74 PolarHBondContact N-OD1 2.78Å; E58-D74 PolarHBondContact N-OD2 3.14Å; E58-D74 PolarHBondContact O-N 2.72Å
75G95Very high92.9Very high1 Ų150 Ų501%0.0128%0.283CS..SBendtrans-70.6-158.3-179.600000114D73 G77 T163 G164D73-G75 WeakPolarHBondContact OD1-CA 3.32Å; D73-G75 PolarHBondContact OD1-N 3.1Å; G75-G77 PolarHBondContact O-N 3.01Å; G75-T163 CarbonylContact O-C 3.56Å; G75-T163 VanDerWaalsContact O-CB 3.22Å; G75-T163 WeakPolarHBondContact O-CB 3.32Å; G75-T163 PolarHBondContact O-OG1 2.95Å; G75-G164 WeakPolarHBondContact O-CA 3.45Å; G75-G164 PolarHBondContact O-N 3.24Å
76R94.3Very high93.2Very high83 Ų8352.2 Ų52.231%0.31328%0.283SS..SBendtrans-71.4-17-177.8-68.9170.4-69.7-170.87.5114.3E50 H55 Y109 R136E50-R76 IonicContact OE1-CZ 2.64Å; E50-R76 IonicContact OE1-NE 2.65Å; E50-R76 IonicContact OE1-NH2 3.78Å; E50-R76 PolarHBondContact OE1-NH2 3.35Å; E50-R76 WeakPolarHBondContact OE2-CB 3.44Å; E50-R76 IonicContact OE2-CZ 2.76Å; E50-R76 PolarHBondContact OE2-N 3.34Å; E50-R76 VanDerWaalsContact OE2-N 3.15Å; E50-R76 IonicContact OE2-NE 2.94Å; E50-R76 PolarHBondContact OE2-NE 3.41Å; E50-R76 IonicContact OE2-NH2 2.58Å; E50-R76 PolarHBondContact OE2-NH2 3.03Å; H55-R76 HydrophobicContact CB-CG 3.8Å; H55-R76 VanDerWaalsContact CD2-CD 3.43Å; H55-R76 WeakPolarHBondContact CD2-CD 3.48Å; H55-R76 PolarHBondContact CD2-NE 3.37Å; H55-R76 PolarHBondContact CD2-NH1 3.47Å; H55-R76 VanDerWaalsContact CD2-NH1 3.27Å; H55-R76 PolarHBondContact NE2-NH1 3.47Å; R76-Y109 PolarHBondContact NH2-OH 2.88Å; R76-R136 PolarHBondContact O-NH1 3.15Å
77G93.8Very high93.7Very high7 Ų751.1 Ų51.17%0.07229%0.29CS..  trans77143.5-169.400000113.4G75 R136 T165G75-G77 PolarHBondContact O-N 3.01Å; G77-R136 PolarHBondContact O-NH1 3.01Å; G77-T165 WeakPolarHBondContact CA-OG1 3.43Å
78I93.5Very high94Very high33 Ų3351.8 Ų51.817%0.16930%0.295CS..  trans-58.2138.2177.7-62.9177.8000110.5T80 A91 I94 L132 I134 T165I78-T80 PolarHBondContact O-N 3.38Å; I78-A91 HydrophobicContact CG2-CB 3.85Å; I78-I94 HydrophobicContact CG2-CD1 3.78Å; I78-L132 HydrophobicContact CD1-CD1 4.19Å; I78-I134 HydrophobicContact CB-CD1 3.84Å; I78-I134 HydrophobicContact CB-CG1 4.24Å; I78-I134 HydrophobicContact CG2-CD1 4.32Å; I78-I134 WeakPolarHBondContact O-CG2 3.5Å; I78-T165 HydrophobicContact CD1-CG2 3.93Å; I78-T165 HydrophobicContact CG1-CG2 4.12Å; I78-T165 PolarHBondContact N-OG1 3.19Å; I78-T165 VanDerWaalsContact N-OG1 3.13Å
79P93.8Very high94.1Very high62 Ų6252.1 Ų52.140%0.40330%0.298SS..  trans-56.5130176.7-26.235.4000112.8A90 A91P79-A90 HydrophobicContact CB-CB 4.1Å; P79-A91 PolarHBondContact O-N 3.09Å; P79-A91 VanDerWaalsContact O-N 3.13Å
80T94.5Very high93.9Very high21 Ų2153 Ų5313%0.12931%0.305CS..  trans-101.2-10.9-17557.90000113.8I78 I134 H141 L154I78-T80 PolarHBondContact O-N 3.38Å; T80-I134 HydrophobicContact CG2-CB 4.32Å; T80-I134 HydrophobicContact CG2-CD1 4.13Å; T80-I134 HydrophobicContact CG2-CG2 3.84Å; T80-H141 HydrophobicContact CG2-CB 4.34Å; T80-L154 HydrophobicContact CG2-CD2 3.91Å
81G92.8Very high93.7Very high47 Ų4752.6 Ų52.649%0.48530%0.302SS..SBendtrans-64.6160.5177.900000113.2H83 S89 A90G81-H83 PolarHBondContact O-N 3.5Å; G81-S89 CarbonylContact O-C 3.58Å; G81-S89 WeakPolarHBondContact O-CA 3.38Å; G81-A90 PolarHBondContact O-N 2.67Å
82I94.5Very high93.5Very high117 Ų11754 Ų5460%0.631%0.308SS*.BIsolated β-bridgetrans-70.4127.9177.2-57.4-58.5000110V88I82-V88 CarbonylContact C-O 3.51Å; I82-V88 WeakPolarHBondContact CA-O 3.37Å
83H91Very high93.3Very high61 Ų6151 Ų5128%0.28230%0.295SS..PPolyproline II helixtrans-70.6123174-170.6-97.5000109.6G81 E85 E86 G87 V88 V93G81-H83 PolarHBondContact O-N 3.5Å; H83-E85 VanDerWaalsContact C-N 3.27Å; H83-E85 PolarHBondContact O-N 3.17Å; H83-E86 HydrophobicContact CB-CB 4.23Å; H83-E86 WeakPolarHBondContact ND1-CG 3.3Å; H83-E86 PolarHBondContact ND1-N 3.22Å; H83-E86 PolarHBondContact O-N 2.82Å; H83-G87 PolarHBondContact O-N 2.78Å; H83-V88 PolarHBondContact N-O 2.94Å; H83-V93 HydrophobicContact CB-CG2 3.8Å
84P87.9Confident93Very high125 Ų12552 Ų5281%0.81230%0.3SS*.THydrogen-bonded Turntrans-57.9-35-171.3-27.134.5000114.8
85E89.3Confident92.9Very high168 Ų16849.4 Ų49.479%0.78529%0.286SS*.THydrogen-bonded Turntrans-89.5-29.8-175.3-59.3-176.8167.600113.3H83H83-E85 VanDerWaalsContact C-N 3.27Å; H83-E85 PolarHBondContact O-N 3.17Å
86E89.6Confident92.8Very high103 Ų10350.9 Ų50.948%0.48130%0.295SS..THydrogen-bonded Turntrans-98-18.1-174-64.6-64.8143.400112.3H83 V88 V93H83-E86 HydrophobicContact CB-CB 4.23Å; H83-E86 WeakPolarHBondContact ND1-CG 3.3Å; H83-E86 PolarHBondContact ND1-N 3.22Å; H83-E86 PolarHBondContact O-N 2.82Å; E86-V88 HydrophobicContact CB-CG2 4.17Å; E86-V88 PolarHBondContact O-N 3.15Å; E86-V88 VanDerWaalsContact O-N 3.15Å; E86-V93 HydrophobicContact CB-CG2 3.69Å; E86-V93 HydrophobicContact CG-CG1 4.25Å; E86-V93 HydrophobicContact CG-CG2 3.82Å
87G91.9Very high92.5Very high55 Ų5549.3 Ų49.357%0.56730%0.295SS*.SBendtrans71.33.4177.300000115.4H83H83-G87 PolarHBondContact O-N 2.78Å
88V92.9Very high92.1Very high47 Ų4750.4 Ų50.429%0.28530%0.299SS..SBendtrans-116.3171.8174.8-61.60000110.8I82 H83 E86 E92 V93I82-V88 CarbonylContact C-O 3.51Å; I82-V88 WeakPolarHBondContact CA-O 3.37Å; H83-V88 PolarHBondContact N-O 2.94Å; E86-V88 HydrophobicContact CB-CG2 4.17Å; E86-V88 PolarHBondContact O-N 3.15Å; E86-V88 VanDerWaalsContact O-N 3.15Å; V88-E92 HydrophobicContact CB-CB 4.37Å; V88-E92 HydrophobicContact CB-CG 4.41Å; V88-E92 HydrophobicContact CG2-CB 4.15Å; V88-E92 HydrophobicContact CG2-CG 4.19Å; V88-V93 HydrophobicContact CG2-CG2 3.73Å
89S94.9Very high91.5Very high7 Ų754.2 Ų54.25%0.04932%0.316CS..BIsolated β-bridgetrans-59.7144178.273.90000111.5G81 A91 E92 V93G81-S89 CarbonylContact O-C 3.58Å; G81-S89 WeakPolarHBondContact O-CA 3.38Å; S89-A91 PolarHBondContact O-N 3.04Å; S89-E92 WeakPolarHBondContact O-CA 3.34Å; S89-E92 WeakPolarHBondContact O-CB 3.4Å; S89-E92 PolarHBondContact O-N 3.21Å; S89-E92 WeakPolarHBondContact OG-CB 3.37Å; S89-E92 PolarHBondContact OG-N 3.07Å; S89-E92 VanDerWaalsContact OG-N 3.1Å; S89-V93 PolarHBondContact O-N 3.17Å
90A93.5Very high90.5Very high19 Ų1952.1 Ų52.116%0.15730%0.304CS..Hα-helixtrans-59.2-31.1176.400000112.1P79 G81 V93 I94P79-A90 HydrophobicContact CB-CB 4.1Å; G81-A90 PolarHBondContact O-N 2.67Å; A90-V93 PolarHBondContact O-N 3.08Å; A90-I94 WeakPolarHBondContact O-CG1 3.48Å; A90-I94 PolarHBondContact O-N 3.48Å
91A94Very high89.4Confident0 Ų052.7 Ų52.70%031%0.313CS..Hα-helixtrans-58.2-47.4169.500000112.2I78 P79 S89 V93 I94 M95 L132 I134 L154I78-A91 HydrophobicContact CG2-CB 3.85Å; P79-A91 PolarHBondContact O-N 3.09Å; P79-A91 VanDerWaalsContact O-N 3.13Å; S89-A91 PolarHBondContact O-N 3.04Å; A91-V93 PolarHBondContact O-N 3.16Å; A91-I94 PolarHBondContact O-N 2.8Å; A91-M95 WeakPolarHBondContact O-CB 3.22Å; A91-M95 WeakPolarHBondContact O-CG 3.17Å; A91-M95 PolarHBondContact O-N 3.16Å; A91-L132 HydrophobicContact CB-CD2 4.08Å; A91-I134 HydrophobicContact CB-CD1 3.64Å; A91-L154 HydrophobicContact CB-CD2 4.17Å
92E95.1Very high88Confident30 Ų3052.7 Ų52.714%0.1431%0.313CS..Hα-helixtrans-63.1-40.2176.4-171.9172.5141.600112.4V88 S89 M95 T96 Q143 Y145 P150V88-E92 HydrophobicContact CB-CB 4.37Å; V88-E92 HydrophobicContact CB-CG 4.41Å; V88-E92 HydrophobicContact CG2-CB 4.15Å; V88-E92 HydrophobicContact CG2-CG 4.19Å; S89-E92 WeakPolarHBondContact O-CA 3.34Å; S89-E92 WeakPolarHBondContact O-CB 3.4Å; S89-E92 PolarHBondContact O-N 3.21Å; S89-E92 WeakPolarHBondContact OG-CB 3.37Å; S89-E92 PolarHBondContact OG-N 3.07Å; S89-E92 VanDerWaalsContact OG-N 3.1Å; E92-M95 PolarHBondContact O-N 3.47Å; E92-T96 HydrophobicContact CG-CG2 4.26Å; E92-T96 WeakPolarHBondContact O-CB 3.38Å; E92-T96 WeakPolarHBondContact O-CG2 3.47Å; E92-T96 PolarHBondContact O-N 3.44Å; E92-T96 PolarHBondContact O-OG1 3.33Å; E92-Q143 PolarHBondContact OE2-NE2 3.13Å; E92-Y145 WeakPolarHBondContact CA-OH 3.48Å; E92-P150 HydrophobicContact CG-CB 4.49Å; E92-P150 HydrophobicContact CG-CG 4.21Å
93V93Very high86.4Confident11 Ų1149.2 Ų49.27%0.06729%0.294CS..Hα-helixtrans-58.9-50.3174.8179.70000110.7H83 E86 V88 S89 A90 A91 M95 T96 V97 A100H83-V93 HydrophobicContact CB-CG2 3.8Å; E86-V93 HydrophobicContact CB-CG2 3.69Å; E86-V93 HydrophobicContact CG-CG1 4.25Å; E86-V93 HydrophobicContact CG-CG2 3.82Å; V88-V93 HydrophobicContact CG2-CG2 3.73Å; S89-V93 PolarHBondContact O-N 3.17Å; A90-V93 PolarHBondContact O-N 3.08Å; A91-V93 PolarHBondContact O-N 3.16Å; V93-M95 PolarHBondContact O-N 3.11Å; V93-T96 PolarHBondContact O-N 3.46Å; V93-V97 HydrophobicContact CG1-CB 4.14Å; V93-V97 HydrophobicContact CG1-CG2 4.03Å; V93-V97 VanDerWaalsContact O-CB 3.3Å; V93-V97 WeakPolarHBondContact O-CB 3.41Å; V93-V97 PolarHBondContact O-N 3.11Å; V93-A100 HydrophobicContact CG1-CB 3.84Å
94I91.6Very high84.8Confident41 Ų4152.2 Ų52.221%0.2131%0.306CS..Hα-helixtrans-61-35.2-179.9-72.2164.3000111.9I78 A90 A91 V120I78-I94 HydrophobicContact CG2-CD1 3.78Å; A90-I94 WeakPolarHBondContact O-CG1 3.48Å; A90-I94 PolarHBondContact O-N 3.48Å; A91-I94 PolarHBondContact O-N 2.8Å; I94-V120 HydrophobicContact CG2-CG1 3.61Å
95M93.4Very high83.3Confident0 Ų051.1 Ų51.10%029%0.294CS..Hα-helixtrans-81.6-21-178.2-67.4-57.1-6700114.1A91 E92 V93 V120 S121 N124 L130 L132 Y145A91-M95 WeakPolarHBondContact O-CB 3.22Å; A91-M95 WeakPolarHBondContact O-CG 3.17Å; A91-M95 PolarHBondContact O-N 3.16Å; E92-M95 PolarHBondContact O-N 3.47Å; V93-M95 PolarHBondContact O-N 3.11Å; M95-V120 HydrophobicContact CE-CG2 4.04Å; M95-V120 HydrophobicContact SD-CB 4.41Å; M95-V120 HydrophobicContact SD-CG1 4.01Å; M95-V120 HydrophobicContact SD-CG2 3.55Å; M95-V120 VanDerWaalsContact SD-CG2 3.55Å; M95-S121 WeakPolarHBondContact O-CA 3.29Å; M95-N124 HydrophobicContact CE-CB 4.02Å; M95-N124 WeakPolarHBondContact O-CB 3.36Å; M95-N124 PolarHBondContact O-ND2 3.21Å; M95-L130 HydrophobicContact CE-CD1 3.47Å; M95-L130 VanDerWaalsContact CE-CD1 3.47Å; M95-L130 HydrophobicContact CE-CD2 3.23Å; M95-L130 HydrophobicContact CE-CG 4.01Å; M95-L132 HydrophobicContact CG-CD2 3.93Å; M95-Y145 HydrophobicContact CB-CE1 3.88Å; M95-Y145 HydrophobicContact CB-CE2 4.27Å; M95-Y145 WeakPolarHBondContact CB-OH 3.48Å; M95-Y145 HydrophobicContact CG-CE2 4.23Å
96T92.7Very high81.5Confident31 Ų3150 Ų5019%0.1929%0.293CS..Hα-helixtrans-121.2-23.3-169.862.70000114.4L16 E92 V93 Y145L16-T96 WeakPolarHBondContact CG-O 3.15Å; E92-T96 HydrophobicContact CG-CG2 4.26Å; E92-T96 WeakPolarHBondContact O-CB 3.38Å; E92-T96 WeakPolarHBondContact O-CG2 3.47Å; E92-T96 PolarHBondContact O-N 3.44Å; E92-T96 PolarHBondContact O-OG1 3.33Å; V93-T96 PolarHBondContact O-N 3.46Å; T96-Y145 HydrophobicContact CG2-CD1 4.22Å; T96-Y145 HydrophobicContact CG2-CE1 3.69Å
97V89Confident79.8Confident50 Ų5051.8 Ų51.830%0.30331%0.306SS..SBendtrans-102123.7-177-176.40000109.6V93 A100 S121V93-V97 HydrophobicContact CG1-CB 4.14Å; V93-V97 HydrophobicContact CG1-CG2 4.03Å; V93-V97 VanDerWaalsContact O-CB 3.3Å; V93-V97 WeakPolarHBondContact O-CB 3.41Å; V93-V97 PolarHBondContact O-N 3.11Å; V97-A100 HydrophobicContact CB-CB 4Å; V97-A100 HydrophobicContact CG1-CB 4.23Å; V97-S121 PolarHBondContact O-OG 2.8Å
98L85.8Confident77.9Confident30 Ų3051.9 Ų51.916%0.15730%0.298CS..THydrogen-bonded Turntrans-68.4142.2169.7-64.3-179.7000109.3L16 V19 Y26 A100 V118 V122L16-L98 HydrophobicContact CD2-CD2 3.83Å; L16-L98 HydrophobicContact CD2-CG 4.04Å; V19-L98 HydrophobicContact CG2-CD1 3.89Å; V19-L98 HydrophobicContact CG2-CD2 3.97Å; V19-L98 HydrophobicContact CG2-CG 4.45Å; Y26-L98 HydrophobicContact CE1-CD1 4.5Å; L98-A100 VanDerWaalsContact C-N 3.26Å; L98-A100 PolarHBondContact O-N 3.46Å; L98-V118 HydrophobicContact CD2-CG1 4.23Å; L98-V122 HydrophobicContact CD2-CG2 4.15Å
99H80.7Confident76.1Confident114 Ų11452.2 Ų52.253%0.52829%0.294SS..THydrogen-bonded Turntrans66.526.5-177.4-46-67.8000114.2F104 H116 G117 V118H99-F104 HydrophobicContact CB-CZ 4.32Å; H99-F104 WeakPolarHBondContact O-CE2 3.41Å; H99-F104 WeakPolarHBondContact O-CZ 3.42Å; H99-H116 VanDerWaalsContact CA-O 3.32Å; H99-H116 WeakPolarHBondContact CA-O 3.47Å; H99-H116 PolarHBondContact ND1-O 2.86Å; H99-G117 VanDerWaalsContact CA-O 3.32Å; H99-G117 WeakPolarHBondContact CA-O 3.48Å; H99-G117 PolarHBondContact N-O 3.29Å; H99-V118 WeakPolarHBondContact CE1-CG2 3.46Å; H99-V118 WeakPolarHBondContact ND1-CG2 3.41Å
100A72.9Confident74.2Confident18 Ų1860.1 Ų60.115%0.14933%0.328CS..  trans-97.9132.8167.900000110.2V93 V97 L98 G117V93-A100 HydrophobicContact CG1-CB 3.84Å; V97-A100 HydrophobicContact CB-CB 4Å; V97-A100 HydrophobicContact CG1-CB 4.23Å; L98-A100 VanDerWaalsContact C-N 3.26Å; L98-A100 PolarHBondContact O-N 3.46Å; A100-G117 PolarHBondContact N-O 2.97Å; A100-G117 WeakPolarHBondContact O-CA 3.45Å
101G69.9Low72.5Confident32 Ų3261.3 Ų61.333%0.3333%0.333SS..SBendtrans171.6156.7175.900000112.1K103 F104G101-K103 PolarHBondContact O-N 2.85Å; G101-K103 VanDerWaalsContact O-N 3.11Å; G101-F104 VanDerWaalsContact O-CD2 3.29Å; G101-F104 WeakPolarHBondContact O-CD2 3.48Å
102G64.3Low70.8Confident47 Ų4761.7 Ų61.749%0.48534%0.336SS..G310 helixtrans-68.9-5.6178.300000114.5F104 S108G102-F104 VanDerWaalsContact C-N 3.35Å; G102-F104 PolarHBondContact O-N 3.41Å; G102-S108 PolarHBondContact O-OG 3.4Å
103K61.9Low69Low45 Ų4560.4 Ų60.420%0.19633%0.331CS..G310 helixtrans-83.9-2.6-164.9-55.4179-177-177.50114.7D49 G101 Y109 G114D49-K103 WeakPolarHBondContact OD2-CE 3.47Å; D49-K103 IonicContact OD2-NZ 3.43Å; D49-K103 PolarHBondContact OD2-NZ 3.35Å; G101-K103 PolarHBondContact O-N 2.85Å; G101-K103 VanDerWaalsContact O-N 3.11Å; K103-Y109 HydrophobicContact CG-CD2 3.96Å; K103-Y109 HydrophobicContact CG-CG 4.47Å; K103-G114 WeakPolarHBondContact CD-O 3.24Å; K103-G114 PolarHBondContact NZ-O 2.95Å
104F57.6Low67.3Low124 Ų12460.3 Ų60.354%0.54433%0.331SS..G310 helixtrans-86.9-7.8179.2-58.8-72.2000113.6H99 G101 G102H99-F104 HydrophobicContact CB-CZ 4.32Å; H99-F104 WeakPolarHBondContact O-CE2 3.41Å; H99-F104 WeakPolarHBondContact O-CZ 3.42Å; G101-F104 VanDerWaalsContact O-CD2 3.29Å; G101-F104 WeakPolarHBondContact O-CD2 3.48Å; G102-F104 VanDerWaalsContact C-N 3.35Å; G102-F104 PolarHBondContact O-N 3.41Å
105D54.9Low65.6Low102 Ų10259.8 Ų59.855%0.54533%0.329SS..SBendtrans-110.7124.8173-167.93.6000108.8N107 S108D105-N107 PolarHBondContact O-N 3.03Å; D105-S108 PolarHBondContact O-N 3.29Å
106D51.9Low64Low143 Ų14363.9 Ų63.977%0.76535%0.348SS*.THydrogen-bonded Turntrans-57.3-11.3-171.5-76.4-26.6000114
107N53.7Low62.5Low142 Ų14263.1 Ų63.176%0.75935%0.347SS*.THydrogen-bonded Turntrans-84.4-28.3-173.5-71.7-44.7000114.9D105D105-N107 PolarHBondContact O-N 3.03Å
108S51.2Low61.9Low56 Ų5661.5 Ų61.539%0.39234%0.337SS..THydrogen-bonded Turntrans-92.3-38.2-168.169.40000113.2G102 D105G102-S108 PolarHBondContact O-OG 3.4Å; D105-S108 PolarHBondContact O-N 3.29Å
109Y55.9Low61.7Low54 Ų5460.7 Ų60.721%0.21234%0.335CS..  trans-142.6103177.4-62.1-88.5000110.2D49 E50 A53 R76 K103 V111D49-Y109 HydrophobicContact CB-CD1 4.38Å; D49-Y109 HydrophobicContact CB-CE1 4.11Å; E50-Y109 PolarHBondContact OE1-OH 3.49Å; A53-Y109 HydrophobicContact CB-CE1 4.23Å; R76-Y109 PolarHBondContact NH2-OH 2.88Å; K103-Y109 HydrophobicContact CG-CD2 3.96Å; K103-Y109 HydrophobicContact CG-CG 4.47Å; Y109-V111 VanDerWaalsContact C-N 3.3Å; Y109-V111 PolarHBondContact O-N 3.38Å
110K54.8Low62.2Low174 Ų17455.8 Ų55.876%0.75731%0.313SS*.SBendtrans-68.8-27.6178.1-71.3-172.6176.9-175.90113.7
111V58.4Low63.1Low43 Ų4355 Ų5526%0.26131%0.307SS..SBendtrans-145126.3179.3-176.70000107.5Y109 N271 K326Y109-V111 VanDerWaalsContact C-N 3.3Å; Y109-V111 PolarHBondContact O-N 3.38Å; V111-N271 HydrophobicContact CG1-CB 4.11Å; V111-N271 VanDerWaalsContact CG1-CG 3.4Å; V111-N271 WeakPolarHBondContact CG1-OD1 3.49Å; V111-K326 HydrophobicContact CG1-CB 3.99Å; V111-K326 HydrophobicContact CG1-CD 4.03Å; V111-K326 HydrophobicContact CG2-CB 4.26Å
112S58.7Low64.2Low9 Ų953.6 Ų53.66%0.06329%0.292CS..  trans-144.4156.8177.867.30000111.6D49 G114 N271D49-S112 WeakPolarHBondContact OD1-CA 3.25Å; S112-G114 PolarHBondContact OG-O 3.49Å; S112-N271 VanDerWaalsContact O-CB 3.3Å; S112-N271 WeakPolarHBondContact O-CB 3.37Å; S112-N271 PolarHBondContact O-ND2 3.41Å
113G56Low65.7Low3 Ų351.3 Ų51.33%0.03127%0.269CS..SBendtrans-77.1-34.8173.400000112.9D49 L115 I273 K337D49-G113 PolarHBondContact OD1-N 2.91Å; G113-L115 PolarHBondContact O-N 3.28Å; G113-I273 WeakPolarHBondContact O-CD1 3.1Å; G113-K337 PolarHBondContact O-NZ 2.72Å
114G57.9Low67.3Low8 Ų849.2 Ų49.28%0.08226%0.259CS..  trans-91.499.4-179.900000112.3K103 S112K103-G114 WeakPolarHBondContact CD-O 3.24Å; K103-G114 PolarHBondContact NZ-O 2.95Å; S112-G114 PolarHBondContact OG-O 3.49Å
115L56.1Low69.1Low30 Ų3043.3 Ų43.316%0.15723%0.234CC..  trans-81.2-29.8-173.3-60.9173000115.1G113 P330 F332G113-L115 PolarHBondContact O-N 3.28Å; L115-P330 HydrophobicContact CD1-CG 3.94Å; L115-P330 WeakPolarHBondContact CD1-O 3.47Å; L115-P330 HydrophobicContact CD2-CG 4Å; L115-F332 HydrophobicContact CD1-CD2 4.46Å; L115-F332 HydrophobicContact CD1-CE2 3.98Å
116H60.6Low71Confident86 Ų8638.5 Ų38.540%0.39821%0.208SC..SBendtrans-110.5-3.5-160.5-57.5112.5000115.1H99 V118H99-H116 VanDerWaalsContact CA-O 3.32Å; H99-H116 WeakPolarHBondContact CA-O 3.47Å; H99-H116 PolarHBondContact ND1-O 2.86Å; H116-V118 VanDerWaalsContact C-N 3.32Å; H116-V118 HydrophobicContact CB-CB 4.4Å; H116-V118 HydrophobicContact CB-CG2 3.82Å; H116-V118 PolarHBondContact O-N 3.15Å
117G61.1Low73.1Confident16 Ų1631.7 Ų31.717%0.16517%0.172CC..SBendtrans6631.1-174.300000113.9H99 A100H99-G117 VanDerWaalsContact CA-O 3.32Å; H99-G117 WeakPolarHBondContact CA-O 3.48Å; H99-G117 PolarHBondContact N-O 3.29Å; A100-G117 PolarHBondContact N-O 2.97Å; A100-G117 WeakPolarHBondContact O-CA 3.45Å
118V75Confident75.1Confident16 Ų1629.4 Ų29.410%0.09716%0.156CC..  trans-110.1-27-172.3171.90000112.7Y26 L98 H99 H116 S121 V122Y26-V118 HydrophobicContact CD1-CG1 4Å; L98-V118 HydrophobicContact CD2-CG1 4.23Å; H99-V118 WeakPolarHBondContact CE1-CG2 3.46Å; H99-V118 WeakPolarHBondContact ND1-CG2 3.41Å; H116-V118 VanDerWaalsContact C-N 3.32Å; H116-V118 HydrophobicContact CB-CB 4.4Å; H116-V118 HydrophobicContact CB-CG2 3.82Å; H116-V118 PolarHBondContact O-N 3.15Å; V118-S121 PolarHBondContact O-OG 3.44Å; V118-S121 VanDerWaalsContact O-OG 3.1Å; V118-V122 HydrophobicContact CG1-CG2 3.39Å; V118-V122 WeakPolarHBondContact O-CB 3.27Å; V118-V122 VanDerWaalsContact O-CG2 3.22Å; V118-V122 WeakPolarHBondContact O-CG2 3.34Å; V118-V122 PolarHBondContact O-N 3.15Å
119G82.8Confident77.3Confident12 Ų1230 Ų3012%0.12415%0.152CC..Hα-helixtrans-54.4-68.5-166.300000115.3E42 S121 V122 V123E42-G119 WeakPolarHBondContact OE2-CA 3.4Å; G119-S121 VanDerWaalsContact C-N 3.32Å; G119-S121 PolarHBondContact O-N 3.45Å; G119-V122 WeakPolarHBondContact O-CB 3.5Å; G119-V122 PolarHBondContact O-N 3.2Å; G119-V122 VanDerWaalsContact O-N 3.15Å; G119-V123 WeakPolarHBondContact O-CG2 3.47Å; G119-V123 PolarHBondContact O-N 3.25Å
120V90.6Very high79.3Confident12 Ų1227.4 Ų27.47%0.07314%0.142CC..Hα-helixtrans-68.9-29.1-172.174.90000113.4I94 M95 V123 N124I94-V120 HydrophobicContact CG2-CG1 3.61Å; M95-V120 HydrophobicContact CE-CG2 4.04Å; M95-V120 HydrophobicContact SD-CB 4.41Å; M95-V120 HydrophobicContact SD-CG1 4.01Å; M95-V120 HydrophobicContact SD-CG2 3.55Å; M95-V120 VanDerWaalsContact SD-CG2 3.55Å; V120-V123 WeakPolarHBondContact O-CB 3.26Å; V120-V123 PolarHBondContact O-N 2.96Å; V120-N124 PolarHBondContact O-N 2.97Å
121S92.7Very high81.4Confident1 Ų120.2 Ų20.21%0.00711%0.111CC..Hα-helixtrans-71.7-33.217449.40000112.1M95 V97 V118 G119 N124 A125M95-S121 WeakPolarHBondContact O-CA 3.29Å; V97-S121 PolarHBondContact O-OG 2.8Å; V118-S121 PolarHBondContact O-OG 3.44Å; V118-S121 VanDerWaalsContact O-OG 3.1Å; G119-S121 VanDerWaalsContact C-N 3.32Å; G119-S121 PolarHBondContact O-N 3.45Å; S121-N124 PolarHBondContact O-N 3.18Å; S121-A125 WeakPolarHBondContact O-CB 3.31Å; S121-A125 PolarHBondContact O-N 3.1Å
122V92.7Very high83.2Confident2 Ų218.2 Ų18.21%0.01210%0.098CC..Hα-helixtrans-64.4-42.7167.5166.80000111.1V19 Y26 I27 L98 V118 G119 N124 A125 L126V19-V122 HydrophobicContact CG1-CB 4.15Å; V19-V122 HydrophobicContact CG1-CG1 3.81Å; V19-V122 HydrophobicContact CG1-CG2 3.82Å; V19-V122 HydrophobicContact CG2-CG2 4.02Å; Y26-V122 HydrophobicContact CD1-CG2 3.9Å; Y26-V122 HydrophobicContact CG-CG2 4.11Å; I27-V122 HydrophobicContact CB-CG1 4.37Å; I27-V122 HydrophobicContact CD1-CG1 4.4Å; L98-V122 HydrophobicContact CD2-CG2 4.15Å; V118-V122 HydrophobicContact CG1-CG2 3.39Å; V118-V122 WeakPolarHBondContact O-CB 3.27Å; V118-V122 VanDerWaalsContact O-CG2 3.22Å; V118-V122 WeakPolarHBondContact O-CG2 3.34Å; V118-V122 PolarHBondContact O-N 3.15Å; G119-V122 WeakPolarHBondContact O-CB 3.5Å; G119-V122 PolarHBondContact O-N 3.2Å; G119-V122 VanDerWaalsContact O-N 3.15Å; V122-N124 VanDerWaalsContact C-N 3.32Å; V122-N124 PolarHBondContact O-N 3.26Å; V122-A125 WeakPolarHBondContact O-CB 3.38Å; V122-A125 PolarHBondContact O-N 3.35Å; V122-L126 HydrophobicContact CG1-CD1 3.91Å; V122-L126 HydrophobicContact CG1-CG 4.33Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 3.08Å
123V94.9Very high85.1Confident0 Ų018.4 Ų18.40%010%0.099CC..Hα-helixtrans-57.2-49.6175.7175.20000110M39 E42 V43 G119 V120 A125 L126 S127 L130 F169M39-V123 HydrophobicContact CB-CG1 4.46Å; M39-V123 HydrophobicContact CB-CG2 4.05Å; M39-V123 HydrophobicContact CE-CB 4.34Å; M39-V123 HydrophobicContact CE-CG1 3.81Å; M39-V123 WeakPolarHBondContact CE-O 3.37Å; M39-V123 HydrophobicContact CG-CG2 4.43Å; M39-V123 WeakPolarHBondContact O-CG2 3.48Å; E42-V123 HydrophobicContact CB-CG2 4.06Å; V43-V123 HydrophobicContact CG2-CB 4.37Å; V43-V123 HydrophobicContact CG2-CG1 3.96Å; V43-V123 HydrophobicContact CG2-CG2 4Å; G119-V123 WeakPolarHBondContact O-CG2 3.47Å; G119-V123 PolarHBondContact O-N 3.25Å; V120-V123 WeakPolarHBondContact O-CB 3.26Å; V120-V123 PolarHBondContact O-N 2.96Å; V123-A125 VanDerWaalsContact C-N 3.34Å; V123-A125 PolarHBondContact O-N 2.89Å; V123-L126 CarbonylContact O-C 3.59Å; V123-L126 PolarHBondContact O-N 3.07Å; V123-S127 WeakPolarHBondContact O-CB 3.5Å; V123-S127 PolarHBondContact O-N 3.01Å; V123-S127 VanDerWaalsContact O-N 3.1Å; V123-S127 PolarHBondContact O-OG 3.14Å; V123-L130 HydrophobicContact CG1-CD1 4.24Å; V123-F169 HydrophobicContact CG1-CB 4.35Å; V123-F169 HydrophobicContact CG1-CD1 4.03Å; V123-F169 HydrophobicContact CG1-CD2 4.13Å; V123-F169 HydrophobicContact CG1-CE1 4.32Å; V123-F169 HydrophobicContact CG1-CE2 4.39Å; V123-F169 HydrophobicContact CG1-CG 3.92Å; V123-F169 HydrophobicContact CG1-CZ 4.48Å
124N96.5Very high87.1Confident0 Ų018.3 Ų18.30%010%0.098CC..Hα-helixtrans-59.3-42.5177.2-163.617.8000112.7M95 V120 S121 V122 L126 S127 L130 Y145 G148M95-N124 HydrophobicContact CE-CB 4.02Å; M95-N124 WeakPolarHBondContact O-CB 3.36Å; M95-N124 PolarHBondContact O-ND2 3.21Å; V120-N124 PolarHBondContact O-N 2.97Å; S121-N124 PolarHBondContact O-N 3.18Å; V122-N124 VanDerWaalsContact C-N 3.32Å; V122-N124 PolarHBondContact O-N 3.26Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 3.14Å; N124-S127 PolarHBondContact O-N 2.86Å; N124-L130 HydrophobicContact CB-CD1 3.95Å; N124-Y145 WeakPolarHBondContact ND2-CD1 3.37Å; N124-Y145 WeakPolarHBondContact OD1-CB 3.22Å; N124-G148 WeakPolarHBondContact O-CA 3.5Å; N124-G148 PolarHBondContact O-N 3.44Å; N124-G148 VanDerWaalsContact O-N 3.14Å
125A95Very high88.9Confident1 Ų119.6 Ų19.61%0.00810%0.102CC..Hα-helixtrans-62.5-34.7178.300000113.4L16 V19 R20 S121 V122 V123L16-A125 HydrophobicContact CB-CB 3.8Å; L16-A125 HydrophobicContact CD1-CB 4.01Å; L16-A125 HydrophobicContact CD2-CB 4.08Å; L16-A125 HydrophobicContact CG-CB 4.16Å; V19-A125 HydrophobicContact CB-CB 4.01Å; V19-A125 HydrophobicContact CG1-CB 3.94Å; R20-A125 HydrophobicContact CG-CB 4.5Å; R20-A125 WeakPolarHBondContact CG-O 3.45Å; S121-A125 WeakPolarHBondContact O-CB 3.31Å; S121-A125 PolarHBondContact O-N 3.1Å; V122-A125 WeakPolarHBondContact O-CB 3.38Å; V122-A125 PolarHBondContact O-N 3.35Å; V123-A125 VanDerWaalsContact C-N 3.34Å; V123-A125 PolarHBondContact O-N 2.89Å
126L95.3Very high90.8Very high0 Ų021.2 Ų21.20%011%0.106CC..THydrogen-bonded Turntrans-97.17.8-176.4-58.5-174.2000113.2V19 R20 P23 I27 M39 V122 V123 N124 S172 T175 F176V19-L126 HydrophobicContact CG1-CD1 4.39Å; V19-L126 HydrophobicContact CG1-CD2 3.97Å; V19-L126 HydrophobicContact CG1-CG 4.05Å; R20-L126 HydrophobicContact CG-CD2 4.43Å; P23-L126 HydrophobicContact CB-CD1 3.91Å; P23-L126 HydrophobicContact CB-CD2 3.86Å; I27-L126 HydrophobicContact CB-CD1 4.27Å; I27-L126 HydrophobicContact CG2-CD1 3.81Å; M39-L126 HydrophobicContact CE-CB 3.98Å; M39-L126 HydrophobicContact SD-CB 4Å; V122-L126 HydrophobicContact CG1-CD1 3.91Å; V122-L126 HydrophobicContact CG1-CG 4.33Å; V122-L126 WeakPolarHBondContact O-CG 3.48Å; V122-L126 PolarHBondContact O-N 3.08Å; V123-L126 CarbonylContact O-C 3.59Å; V123-L126 PolarHBondContact O-N 3.07Å; N124-L126 VanDerWaalsContact C-N 3.29Å; N124-L126 PolarHBondContact O-N 3.14Å; L126-S172 VanDerWaalsContact O-CB 3.27Å; L126-S172 WeakPolarHBondContact O-CB 3.37Å; L126-S172 PolarHBondContact O-N 2.71Å; L126-T175 HydrophobicContact CD2-CG2 4.1Å; L126-F176 HydrophobicContact CB-CE2 4.35Å
127S96Very high92.3Very high1 Ų123.8 Ų23.81%0.00712%0.118CC..EExtended strand (participates in β ladder)trans-102.2136.9173.5-68.60000111.3M39 V123 N124 K129 H147 F169 W170M39-S127 WeakPolarHBondContact CE-OG 3.28Å; V123-S127 WeakPolarHBondContact O-CB 3.5Å; V123-S127 PolarHBondContact O-N 3.01Å; V123-S127 VanDerWaalsContact O-N 3.1Å; V123-S127 PolarHBondContact O-OG 3.14Å; N124-S127 PolarHBondContact O-N 2.86Å; S127-K129 VanDerWaalsContact C-N 3.3Å; S127-K129 WeakPolarHBondContact CB-O 3.35Å; S127-H147 WeakPolarHBondContact O-CA 3.44Å; S127-H147 PolarHBondContact O-N 3.38Å; S127-F169 WeakPolarHBondContact OG-CB 3.29Å; S127-W170 CarbonylContact C-O 3.57Å; S127-W170 WeakPolarHBondContact CA-O 3.5Å; S127-W170 VanDerWaalsContact CB-O 3.26Å; S127-W170 WeakPolarHBondContact CB-O 3.46Å
128Q95.2Very high93.8Very high94 Ų9425.1 Ų25.144%0.43913%0.132SC..EExtended strand (participates in β ladder)trans-62.2-44.1167.3179.8179.7-0.600110E146 H147 W170Q128-E146 VanDerWaalsContact O-CA 3.27Å; Q128-E146 WeakPolarHBondContact O-CA 3.26Å; Q128-H147 PolarHBondContact O-N 3.21Å; Q128-H147 VanDerWaalsContact O-N 3.12Å; Q128-W170 PolarHBondContact N-O 3.26Å
129K96.9Very high94.8Very high68 Ų6829.2 Ų29.230%0.29615%0.148SC..EExtended strand (participates in β ladder)trans-136.2142.1176.4-176.5-176.4178.2-172.30109.3S127 I144 Y145 F169 W170S127-K129 VanDerWaalsContact C-N 3.3Å; S127-K129 WeakPolarHBondContact CB-O 3.35Å; K129-I144 HydrophobicContact CG-CG2 4.32Å; K129-Y145 CarbonylContact C-O 3.49Å; K129-Y145 WeakPolarHBondContact CA-O 3.24Å; K129-F169 WeakPolarHBondContact O-CA 3.27Å; K129-W170 HydrophobicContact CB-CB 4.22Å; K129-W170 HydrophobicContact CB-CD2 4.15Å; K129-W170 HydrophobicContact CB-CE3 3.79Å; K129-W170 HydrophobicContact CB-CG 4.36Å; K129-W170 HydrophobicContact CD-CD2 4.25Å; K129-W170 HydrophobicContact CD-CE3 3.87Å; K129-W170 HydrophobicContact CD-CH2 4.25Å; K129-W170 HydrophobicContact CD-CZ3 3.88Å; K129-W170 HydrophobicContact CG-CD2 4.46Å; K129-W170 HydrophobicContact CG-CE3 3.8Å; K129-W170 HydrophobicContact CG-CZ3 4.03Å; K129-W170 PolarHBondContact O-N 3.41Å
130L98.2Very high95.5Very high0 Ų030.5 Ų30.50%015%0.152CC..EExtended strand (participates in β ladder)trans-135135.2167.2-175.5156.1000109.3M95 V123 N124 L132 I144 Y145 V167 R168 F169M95-L130 HydrophobicContact CE-CD1 3.47Å; M95-L130 VanDerWaalsContact CE-CD1 3.47Å; M95-L130 HydrophobicContact CE-CD2 3.23Å; M95-L130 HydrophobicContact CE-CG 4.01Å; V123-L130 HydrophobicContact CG1-CD1 4.24Å; N124-L130 HydrophobicContact CB-CD1 3.95Å; L130-L132 HydrophobicContact CD2-CB 4.29Å; L130-I144 CarbonylContact O-C 3.58Å; L130-I144 WeakPolarHBondContact O-CA 3.38Å; L130-Y145 HydrophobicContact CD2-CD2 3.85Å; L130-Y145 HydrophobicContact CD2-CE2 4.39Å; L130-Y145 PolarHBondContact N-O 2.77Å; L130-Y145 PolarHBondContact O-N 2.83Å; L130-V167 HydrophobicContact CD1-CG1 3.94Å; L130-V167 HydrophobicContact CD2-CG1 4.22Å; L130-V167 HydrophobicContact CG-CG1 4.12Å; L130-R168 CarbonylContact C-O 3.57Å; L130-R168 WeakPolarHBondContact CA-O 3.39Å; L130-F169 HydrophobicContact CB-CB 4.31Å; L130-F169 HydrophobicContact CD1-CB 4.05Å; L130-F169 HydrophobicContact CG-CB 4.06Å
131E97.9Very high95.8Very high23 Ų2330.7 Ų30.711%0.10715%0.152CC..EExtended strand (participates in β ladder)trans-114.8124.2175.2179.3177.4176.700109.6V133 R142 V167 R168 W170E131-V133 HydrophobicContact CG-CG2 4.35Å; E131-R142 IonicContact OE1-CZ 3.51Å; E131-R142 IonicContact OE1-NE 3.3Å; E131-R142 PolarHBondContact OE1-NE 3.07Å; E131-R142 IonicContact OE1-NH2 2.76Å; E131-R142 PolarHBondContact OE1-NH2 3.43Å; E131-R142 IonicContact OE2-NH2 3.62Å; E131-R142 PolarHBondContact OE2-NH2 2.94Å; E131-V167 WeakPolarHBondContact O-CA 3.4Å; E131-R168 HydrophobicContact CB-CB 4.4Å; E131-R168 PolarHBondContact N-O 3.33Å; E131-R168 PolarHBondContact O-N 3.05Å; E131-W170 HydrophobicContact CB-CZ3 4.13Å
132L98Very high96Very high0 Ų035.4 Ų35.40%017%0.17CC..EExtended strand (participates in β ladder)trans-110.4124.9176.817864.7000109.1I78 A91 M95 L130 I134 R142 Q143 Y145 T165 V167I78-L132 HydrophobicContact CD1-CD1 4.19Å; A91-L132 HydrophobicContact CB-CD2 4.08Å; M95-L132 HydrophobicContact CG-CD2 3.93Å; L130-L132 HydrophobicContact CD2-CB 4.29Å; L132-I134 HydrophobicContact CD1-CD1 4.43Å; L132-I134 HydrophobicContact CD1-CG1 4.08Å; L132-I134 HydrophobicContact CD2-CD1 3.87Å; L132-I134 HydrophobicContact CD2-CG1 4.36Å; L132-I134 HydrophobicContact CG-CD1 4.09Å; L132-I134 HydrophobicContact CG-CG1 4.03Å; L132-R142 CarbonylContact O-C 3.5Å; L132-R142 VanDerWaalsContact O-CA 3.3Å; L132-R142 WeakPolarHBondContact O-CA 3.48Å; L132-Q143 PolarHBondContact N-O 3.1Å; L132-Q143 PolarHBondContact O-N 2.95Å; L132-Y145 HydrophobicContact CB-CE2 4.27Å; L132-Y145 HydrophobicContact CD2-CE2 4.49Å; L132-T165 HydrophobicContact CD1-CG2 3.72Å; L132-V167 HydrophobicContact CD1-CG2 3.7Å
133V97.5Very high96.2Very high14 Ų1435.6 Ų35.69%0.08517%0.17CC..EExtended strand (participates in β ladder)trans-122.2123.9171.9-177.70000108.6E131 I140 H141 R142 T165 M166E131-V133 HydrophobicContact CG-CG2 4.35Å; V133-I140 HydrophobicContact CG1-CG2 3.75Å; V133-H141 CarbonylContact C-O 3.59Å; V133-H141 VanDerWaalsContact CA-O 3.32Å; V133-H141 WeakPolarHBondContact CA-O 3.38Å; V133-R142 HydrophobicContact CG2-CG 4.2Å; V133-T165 CarbonylContact O-C 3.55Å; V133-T165 WeakPolarHBondContact O-CA 3.45Å; V133-M166 HydrophobicContact CB-CB 4.22Å; V133-M166 HydrophobicContact CB-CE 4.15Å; V133-M166 HydrophobicContact CG2-CE 4.12Å; V133-M166 HydrophobicContact CG2-SD 4.4Å; V133-M166 PolarHBondContact N-O 3.19Å; V133-M166 PolarHBondContact O-N 3.38Å
134I97.7Very high96.4Very high0 Ų038.1 Ų38.10%018%0.183CC..EExtended strand (participates in β ladder)trans-119.6126.7-179.8-59.6161.7000108.7I78 T80 A91 L132 R136 I140 H141 T165I78-I134 HydrophobicContact CB-CD1 3.84Å; I78-I134 HydrophobicContact CB-CG1 4.24Å; I78-I134 HydrophobicContact CG2-CD1 4.32Å; I78-I134 WeakPolarHBondContact O-CG2 3.5Å; T80-I134 HydrophobicContact CG2-CB 4.32Å; T80-I134 HydrophobicContact CG2-CD1 4.13Å; T80-I134 HydrophobicContact CG2-CG2 3.84Å; A91-I134 HydrophobicContact CB-CD1 3.64Å; L132-I134 HydrophobicContact CD1-CD1 4.43Å; L132-I134 HydrophobicContact CD1-CG1 4.08Å; L132-I134 HydrophobicContact CD2-CD1 3.87Å; L132-I134 HydrophobicContact CD2-CG1 4.36Å; L132-I134 HydrophobicContact CG-CD1 4.09Å; L132-I134 HydrophobicContact CG-CG1 4.03Å; I134-R136 HydrophobicContact CG2-CB 4Å; I134-I140 WeakPolarHBondContact O-CA 3.43Å; I134-H141 HydrophobicContact CB-CB 4.36Å; I134-H141 PolarHBondContact N-O 3.2Å; I134-H141 PolarHBondContact O-N 3.39Å; I134-T165 HydrophobicContact CG1-CG2 4.44Å
135Q96.9Very high96.4Very high36 Ų3638.1 Ų38.117%0.16818%0.183CC..EExtended strand (participates in β ladder)trans-105.4110.1172.5-63.2-178.6-6.800107.6I140 T160 K162 T163 G164Q135-I140 HydrophobicContact CG-CG1 4.4Å; Q135-T160 HydrophobicContact CB-CG2 3.88Å; Q135-T160 HydrophobicContact CG-CG2 4.06Å; Q135-K162 VanDerWaalsContact OE1-CB 3.26Å; Q135-T163 CarbonylContact O-C 3.22Å; Q135-T163 VanDerWaalsContact O-CA 3.25Å; Q135-T163 WeakPolarHBondContact O-CA 3.47Å; Q135-G164 PolarHBondContact N-O 3.43Å; Q135-G164 PolarHBondContact O-N 2.92Å
136R95Very high96.5Very high63 Ų6342.6 Ų42.624%0.23820%0.204CC..EExtended strand (participates in β ladder)trans-159.9143.2-175.7-173.7171.3177.4122.83.9110.4R76 G77 I134 G138 K139R76-R136 PolarHBondContact O-NH1 3.15Å; G77-R136 PolarHBondContact O-NH1 3.01Å; I134-R136 HydrophobicContact CG2-CB 4Å; R136-G138 VanDerWaalsContact C-N 3.3Å; R136-G138 PolarHBondContact O-N 3.33Å; R136-K139 PolarHBondContact N-O 3.38Å; R136-K139 PolarHBondContact O-N 3.27Å; R136-K139 VanDerWaalsContact O-N 3.09Å; R136-K139 VanDerWaalsContact O-O 3.13Å
137E92.8Very high96.4Very high141 Ų14145.7 Ų45.766%0.65922%0.218SC*.THydrogen-bonded Turntrans54.741.6174.3-69.1161.4-149.200113.6K139E137-K139 VanDerWaalsContact C-N 3.25Å; E137-K139 PolarHBondContact O-N 2.93Å
138G93.2Very high96.2Very high43 Ų4345.9 Ų45.944%0.44322%0.22SC..THydrogen-bonded Turntrans79.21.317800000114.9R136 E159 T160R136-G138 VanDerWaalsContact C-N 3.3Å; R136-G138 PolarHBondContact O-N 3.33Å; G138-E159 WeakPolarHBondContact O-CA 3.46Å; G138-T160 CarbonylContact C-O 3.57Å; G138-T160 VanDerWaalsContact C-O 3.3Å; G138-T160 WeakPolarHBondContact CA-O 3.08Å; G138-T160 PolarHBondContact O-N 3.46Å
139K95.6Very high96.2Very high102 Ų10245.3 Ų45.344%0.44322%0.223SC..EExtended strand (participates in β ladder)trans-128145-169.1-67.8176.2-177.2177.20112.3R136 E137 H141 V156R136-K139 PolarHBondContact N-O 3.38Å; R136-K139 PolarHBondContact O-N 3.27Å; R136-K139 VanDerWaalsContact O-N 3.09Å; R136-K139 VanDerWaalsContact O-O 3.13Å; E137-K139 VanDerWaalsContact C-N 3.25Å; E137-K139 PolarHBondContact O-N 2.93Å; K139-H141 VanDerWaalsContact CB-CE1 3.45Å; K139-H141 WeakPolarHBondContact CB-CE1 3.39Å; K139-V156 HydrophobicContact CB-CG1 4.14Å; K139-V156 HydrophobicContact CD-CG1 4.16Å; K139-V156 HydrophobicContact CD-CG2 4.04Å; K139-V156 HydrophobicContact CG-CG1 4.18Å
140I96.5Very high96.1Very high39 Ų3943.7 Ų43.720%0.222%0.22CC..EExtended strand (participates in β ladder)trans-94.5119.6167.4-53.1178.3000107.3V133 I134 Q135 V156 T157 G158 T160V133-I140 HydrophobicContact CG1-CG2 3.75Å; I134-I140 WeakPolarHBondContact O-CA 3.43Å; Q135-I140 HydrophobicContact CG-CG1 4.4Å; I140-V156 CarbonylContact O-C 3.55Å; I140-V156 WeakPolarHBondContact O-CA 3.17Å; I140-T157 PolarHBondContact O-N 2.72Å; I140-T157 PolarHBondContact O-OG1 3.02Å; I140-G158 PolarHBondContact N-O 3.19Å; I140-T160 HydrophobicContact CG1-CG2 3.65Å
141H97.4Very high96.1Very high17 Ų1748.3 Ų48.38%0.07924%0.241CC..EExtended strand (participates in β ladder)trans-108138.7173.8-56.976.1000109.4T80 V133 I134 K139 L154 A155T80-H141 HydrophobicContact CG2-CB 4.34Å; V133-H141 CarbonylContact C-O 3.59Å; V133-H141 VanDerWaalsContact CA-O 3.32Å; V133-H141 WeakPolarHBondContact CA-O 3.38Å; I134-H141 HydrophobicContact CB-CB 4.36Å; I134-H141 PolarHBondContact N-O 3.2Å; I134-H141 PolarHBondContact O-N 3.39Å; K139-H141 VanDerWaalsContact CB-CE1 3.45Å; K139-H141 WeakPolarHBondContact CB-CE1 3.39Å; H141-L154 HydrophobicContact CB-CD1 3.81Å; H141-L154 HydrophobicContact CB-CD2 4.13Å; H141-L154 HydrophobicContact CB-CG 3.93Å; H141-A155 CarbonylContact C-O 3.55Å; H141-A155 VanDerWaalsContact CA-O 3.24Å; H141-A155 WeakPolarHBondContact CA-O 3.31Å
142R97.3Very high96Very high100 Ų10049.9 Ų49.938%0.37726%0.258SS..EExtended strand (participates in β ladder)trans-130.6140.6178.6-168.8175-175.6-162.91.6110.9E131 L132 V133 A155 T157E131-R142 IonicContact OE1-CZ 3.51Å; E131-R142 IonicContact OE1-NE 3.3Å; E131-R142 PolarHBondContact OE1-NE 3.07Å; E131-R142 IonicContact OE1-NH2 2.76Å; E131-R142 PolarHBondContact OE1-NH2 3.43Å; E131-R142 IonicContact OE2-NH2 3.62Å; E131-R142 PolarHBondContact OE2-NH2 2.94Å; L132-R142 CarbonylContact O-C 3.5Å; L132-R142 VanDerWaalsContact O-CA 3.3Å; L132-R142 WeakPolarHBondContact O-CA 3.48Å; V133-R142 HydrophobicContact CG2-CG 4.2Å; R142-A155 PolarHBondContact N-O 3.36Å; R142-A155 PolarHBondContact O-N 2.97Å; R142-A155 VanDerWaalsContact O-N 3.15Å; R142-T157 HydrophobicContact CB-CG2 3.62Å
143Q97.3Very high95.8Very high5 Ų555 Ų552%0.02329%0.291CS..EExtended strand (participates in β ladder)trans-143.4141.1170.7-162.1167.522.300110E92 L132 Y145 A152 L154E92-Q143 PolarHBondContact OE2-NE2 3.13Å; L132-Q143 PolarHBondContact N-O 3.1Å; L132-Q143 PolarHBondContact O-N 2.95Å; Q143-Y145 HydrophobicContact CB-CE2 4.01Å; Q143-Y145 VanDerWaalsContact CD-OH 3.26Å; Q143-Y145 HydrophobicContact CG-CE2 3.85Å; Q143-Y145 PolarHBondContact OE1-OH 3.48Å; Q143-A152 WeakPolarHBondContact CG-O 3.47Å; Q143-A152 PolarHBondContact NE2-O 2.74Å; Q143-L154 HydrophobicContact CB-CD1 3.78Å
144I97.7Very high95.8Very high53 Ų5355.8 Ų55.827%0.27230%0.295SS..EExtended strand (participates in β ladder)trans-115.5138.8178.4-61.7172.5000108K129 L130 Q151K129-I144 HydrophobicContact CG-CG2 4.32Å; L130-I144 CarbonylContact O-C 3.58Å; L130-I144 WeakPolarHBondContact O-CA 3.38Å; I144-Q151 HydrophobicContact CG2-CG 4.18Å; I144-Q151 WeakPolarHBondContact O-CB 3.38Å; I144-Q151 PolarHBondContact O-N 3.5Å
145Y97.7Very high95.6Very high0 Ų058.1 Ų58.10%032%0.315CS..EExtended strand (participates in β ladder)trans-121.7145.3177-59.5-100.9000109.6E92 M95 T96 N124 K129 L130 L132 Q143 V149 P150E92-Y145 WeakPolarHBondContact CA-OH 3.48Å; M95-Y145 HydrophobicContact CB-CE1 3.88Å; M95-Y145 HydrophobicContact CB-CE2 4.27Å; M95-Y145 WeakPolarHBondContact CB-OH 3.48Å; M95-Y145 HydrophobicContact CG-CE2 4.23Å; T96-Y145 HydrophobicContact CG2-CD1 4.22Å; T96-Y145 HydrophobicContact CG2-CE1 3.69Å; N124-Y145 WeakPolarHBondContact ND2-CD1 3.37Å; N124-Y145 WeakPolarHBondContact OD1-CB 3.22Å; K129-Y145 CarbonylContact C-O 3.49Å; K129-Y145 WeakPolarHBondContact CA-O 3.24Å; L130-Y145 HydrophobicContact CD2-CD2 3.85Å; L130-Y145 HydrophobicContact CD2-CE2 4.39Å; L130-Y145 PolarHBondContact N-O 2.77Å; L130-Y145 PolarHBondContact O-N 2.83Å; L132-Y145 HydrophobicContact CB-CE2 4.27Å; L132-Y145 HydrophobicContact CD2-CE2 4.49Å; Q143-Y145 HydrophobicContact CB-CE2 4.01Å; Q143-Y145 VanDerWaalsContact CD-OH 3.26Å; Q143-Y145 HydrophobicContact CG-CE2 3.85Å; Q143-Y145 PolarHBondContact OE1-OH 3.48Å; Y145-V149 CarbonylContact C-O 3.56Å; Y145-V149 VanDerWaalsContact CA-O 3.22Å; Y145-V149 WeakPolarHBondContact CA-O 3.45Å; Y145-P150 HydrophobicContact CD1-CB 3.92Å; Y145-P150 HydrophobicContact CE1-CB 3.72Å; Y145-P150 HydrophobicContact CE1-CG 4.33Å
146E96.2Very high95.6Very high96 Ų9660.2 Ų60.245%0.44933%0.33SS..EExtended strand (participates in β ladder)trans-125.8125.6168-62.6-176.3175.500108.4Q128 G148 V149 Q151Q128-E146 VanDerWaalsContact O-CA 3.27Å; Q128-E146 WeakPolarHBondContact O-CA 3.26Å; E146-G148 PolarHBondContact O-N 2.91Å; E146-G148 VanDerWaalsContact O-N 3.15Å; E146-V149 PolarHBondContact N-O 3.49Å; E146-V149 WeakPolarHBondContact O-CB 3.12Å; E146-V149 PolarHBondContact O-N 3.16Å; E146-Q151 HydrophobicContact CB-CG 4.49Å; E146-Q151 HydrophobicContact CG-CG 3.88Å
147H92.6Very high95.6Very high64 Ų6461.2 Ų61.230%0.29634%0.343SS..THydrogen-bonded Turntrans47.143.5-175.3-60.3-79.6000113.4R20 S127 Q128 V149R20-H147 PolarHBondContact NH1-O 3.37Å; S127-H147 WeakPolarHBondContact O-CA 3.44Å; S127-H147 PolarHBondContact O-N 3.38Å; Q128-H147 PolarHBondContact O-N 3.21Å; Q128-H147 VanDerWaalsContact O-N 3.12Å; H147-V149 VanDerWaalsContact C-N 3.29Å; H147-V149 PolarHBondContact O-N 3.39Å
148G93Very high95.6Very high5 Ų555.7 Ų55.75%0.05232%0.324CS..THydrogen-bonded Turntrans76.83-179.500000116.1N124 E146N124-G148 WeakPolarHBondContact O-CA 3.5Å; N124-G148 PolarHBondContact O-N 3.44Å; N124-G148 VanDerWaalsContact O-N 3.14Å; E146-G148 PolarHBondContact O-N 2.91Å; E146-G148 VanDerWaalsContact O-N 3.15Å
149V94.7Very high95.6Very high82 Ų8262 Ų6250%0.49734%0.342SS..EExtended strand (participates in β ladder)trans-104.9125.4-179.4-176.50000110.1Y145 E146 H147 Q151Y145-V149 CarbonylContact C-O 3.56Å; Y145-V149 VanDerWaalsContact CA-O 3.22Å; Y145-V149 WeakPolarHBondContact CA-O 3.45Å; E146-V149 PolarHBondContact N-O 3.49Å; E146-V149 WeakPolarHBondContact O-CB 3.12Å; E146-V149 PolarHBondContact O-N 3.16Å; H147-V149 VanDerWaalsContact C-N 3.29Å; H147-V149 PolarHBondContact O-N 3.39Å; V149-Q151 PolarHBondContact O-N 3.31Å; V149-Q151 PolarHBondContact O-NE2 2.84Å
150P96.1Very high95.5Very high35 Ų3558.3 Ų58.323%0.22733%0.328CS..EExtended strand (participates in β ladder)trans-64.8132.217726.3-32.9000110.8E92 Y145E92-P150 HydrophobicContact CG-CB 4.49Å; E92-P150 HydrophobicContact CG-CG 4.21Å; Y145-P150 HydrophobicContact CD1-CB 3.92Å; Y145-P150 HydrophobicContact CE1-CB 3.72Å; Y145-P150 HydrophobicContact CE1-CG 4.33Å
151Q97.2Very high95.3Very high96 Ų9666.2 Ų66.245%0.44936%0.364SS..SBendtrans-81.6-23.4179.9-61-52.7-60.100112.8I144 E146 V149I144-Q151 HydrophobicContact CG2-CG 4.18Å; I144-Q151 WeakPolarHBondContact O-CB 3.38Å; I144-Q151 PolarHBondContact O-N 3.5Å; E146-Q151 HydrophobicContact CB-CG 4.49Å; E146-Q151 HydrophobicContact CG-CG 3.88Å; V149-Q151 PolarHBondContact O-N 3.31Å; V149-Q151 PolarHBondContact O-NE2 2.84Å
152A95.6Very high95.2Very high57 Ų5772.4 Ų72.447%0.47139%0.391SS..SBendtrans-156.6161.3173.500000109.1Q143Q143-A152 WeakPolarHBondContact CG-O 3.47Å; Q143-A152 PolarHBondContact NE2-O 2.74Å
153P94.5Very high95.1Very high106 Ų10671 Ų7169%0.68839%0.394SS*.  trans-57.6154.6167.9-23.134.3000111.9A155P153-A155 PolarHBondContact O-N 3.16Å; P153-A155 VanDerWaalsContact O-N 3.12Å
154L96Very high95.1Very high31 Ų3170.9 Ų70.916%0.16239%0.394CS..  trans-55.1116.6176.9-174.569.4000110.9T80 A91 H141 Q143T80-L154 HydrophobicContact CG2-CD2 3.91Å; A91-L154 HydrophobicContact CB-CD2 4.17Å; H141-L154 HydrophobicContact CB-CD1 3.81Å; H141-L154 HydrophobicContact CB-CD2 4.13Å; H141-L154 HydrophobicContact CB-CG 3.93Å; Q143-L154 HydrophobicContact CB-CD1 3.78Å
155A95.2Very high95.1Very high50 Ų5068.9 Ų68.941%0.41338%0.384SS..EExtended strand (participates in β ladder)trans-110.1142.9-17500000111.5H141 R142 P153H141-A155 CarbonylContact C-O 3.55Å; H141-A155 VanDerWaalsContact CA-O 3.24Å; H141-A155 WeakPolarHBondContact CA-O 3.31Å; R142-A155 PolarHBondContact N-O 3.36Å; R142-A155 PolarHBondContact O-N 2.97Å; R142-A155 VanDerWaalsContact O-N 3.15Å; P153-A155 PolarHBondContact O-N 3.16Å; P153-A155 VanDerWaalsContact O-N 3.12Å
156V96Very high95.1Very high80 Ų8071.3 Ų71.349%0.48540%0.396SS..EExtended strand (participates in β ladder)trans-77.4120.6168.8-179.50000108.3K139 I140K139-V156 HydrophobicContact CB-CG1 4.14Å; K139-V156 HydrophobicContact CD-CG1 4.16Å; K139-V156 HydrophobicContact CD-CG2 4.04Å; K139-V156 HydrophobicContact CG-CG1 4.18Å; I140-V156 CarbonylContact O-C 3.55Å; I140-V156 WeakPolarHBondContact O-CA 3.17Å
157T94.5Very high95.2Very high83 Ų8367 Ų6751%0.50938%0.376SS..EExtended strand (participates in β ladder)trans-110.3-5.4-177.6570000113.8I140 R142I140-T157 PolarHBondContact O-N 2.72Å; I140-T157 PolarHBondContact O-OG1 3.02Å; R142-T157 HydrophobicContact CB-CG2 3.62Å
158G93.2Very high95.5Very high26 Ų2666.6 Ų66.627%0.26837%0.372SS..EExtended strand (participates in β ladder)trans177.3-178.1178.400000113I140I140-G158 PolarHBondContact N-O 3.19Å
159E94.1Very high95.7Very high174 Ų17466.4 Ų66.481%0.81337%0.369SS*.EExtended strand (participates in β ladder)trans-108.3152174.5-63.5-174.7169.900110.2G138G138-E159 WeakPolarHBondContact O-CA 3.46Å
160T93.1Very high95.8Very high26 Ų2664.5 Ų64.516%0.1635%0.353CS..  trans-156.9147.6179.4-1720000111.9Q135 G138 I140 K162Q135-T160 HydrophobicContact CB-CG2 3.88Å; Q135-T160 HydrophobicContact CG-CG2 4.06Å; G138-T160 CarbonylContact C-O 3.57Å; G138-T160 VanDerWaalsContact C-O 3.3Å; G138-T160 WeakPolarHBondContact CA-O 3.08Å; G138-T160 PolarHBondContact O-N 3.46Å; I140-T160 HydrophobicContact CG1-CG2 3.65Å; T160-K162 PolarHBondContact OG1-N 3.49Å; T160-K162 VanDerWaalsContact OG1-N 3.14Å
161E92.9Very high95.7Very high204 Ų20463.4 Ų63.495%0.95335%0.346SS*.SBendtrans-90.1-6.7170-61.6-173.7165.300112.7
162K93.8Very high95.5Very high147 Ų14759 Ų5964%0.63933%0.326SS*.  trans-89.8162.7-177.2-62.8-178.8-177.9178.90111.5Q135 T160Q135-K162 VanDerWaalsContact OE1-CB 3.26Å; T160-K162 PolarHBondContact OG1-N 3.49Å; T160-K162 VanDerWaalsContact OG1-N 3.14Å
163T96.9Very high95.2Very high72 Ų7261.5 Ų61.544%0.44233%0.331SS..  trans-122.4155.316957.30000110.3G75 Q135G75-T163 CarbonylContact O-C 3.56Å; G75-T163 VanDerWaalsContact O-CB 3.22Å; G75-T163 WeakPolarHBondContact O-CB 3.32Å; G75-T163 PolarHBondContact O-OG1 2.95Å; Q135-T163 CarbonylContact O-C 3.22Å; Q135-T163 VanDerWaalsContact O-CA 3.25Å; Q135-T163 WeakPolarHBondContact O-CA 3.47Å
164G96.7Very high94.9Very high2 Ų264.1 Ų64.12%0.02133%0.334CS..EExtended strand (participates in β ladder)trans147.7179.4175.300000113.7D73 G75 Q135D73-G164 WeakPolarHBondContact O-CA 3.32Å; G75-G164 WeakPolarHBondContact O-CA 3.45Å; G75-G164 PolarHBondContact O-N 3.24Å; Q135-G164 PolarHBondContact N-O 3.43Å; Q135-G164 PolarHBondContact O-N 2.92Å
165T97.6Very high94.5Very high11 Ų1163.7 Ų63.77%0.06733%0.333CS..EExtended strand (participates in β ladder)trans-131142.3172.8-64.10000110.1Q72 D73 G77 I78 L132 V133 I134 V167Q72-T165 CarbonylContact C-O 3.57Å; Q72-T165 VanDerWaalsContact CA-O 3.3Å; Q72-T165 WeakPolarHBondContact CA-O 3.33Å; D73-T165 PolarHBondContact N-O 3.28Å; D73-T165 PolarHBondContact O-N 3.24Å; D73-T165 PolarHBondContact OD1-N 2.95Å; D73-T165 WeakPolarHBondContact OD2-CB 3.37Å; G77-T165 WeakPolarHBondContact CA-OG1 3.43Å; I78-T165 HydrophobicContact CD1-CG2 3.93Å; I78-T165 HydrophobicContact CG1-CG2 4.12Å; I78-T165 PolarHBondContact N-OG1 3.19Å; I78-T165 VanDerWaalsContact N-OG1 3.13Å; L132-T165 HydrophobicContact CD1-CG2 3.72Å; V133-T165 CarbonylContact O-C 3.55Å; V133-T165 WeakPolarHBondContact O-CA 3.45Å; I134-T165 HydrophobicContact CG1-CG2 4.44Å; T165-V167 HydrophobicContact CG2-CG2 4.04Å
166M98Very high94.2Very high50 Ų5061.4 Ų61.425%0.24631%0.313CS..EExtended strand (participates in β ladder)trans-124.3125.9167.9-175.7-137.8-5100108.5V71 Q72 V133V71-M166 WeakPolarHBondContact O-CA 3.37Å; Q72-M166 HydrophobicContact CB-CB 4.25Å; Q72-M166 HydrophobicContact CB-CG 4.13Å; Q72-M166 HydrophobicContact CG-CB 4.24Å; V133-M166 HydrophobicContact CB-CB 4.22Å; V133-M166 HydrophobicContact CB-CE 4.15Å; V133-M166 HydrophobicContact CG2-CE 4.12Å; V133-M166 HydrophobicContact CG2-SD 4.4Å; V133-M166 PolarHBondContact N-O 3.19Å; V133-M166 PolarHBondContact O-N 3.38Å
167V98.1Very high93.6Very high6 Ų661.6 Ų61.64%0.03632%0.315CS..EExtended strand (participates in β ladder)trans-117.1115172.9174.30000107.1V43 S70 V71 L130 E131 L132 T165V43-V167 HydrophobicContact CG1-CB 3.82Å; V43-V167 HydrophobicContact CG1-CG1 4.11Å; V43-V167 HydrophobicContact CG1-CG2 4.25Å; V43-V167 HydrophobicContact CG2-CG1 4.34Å; S70-V167 CarbonylContact C-O 3.52Å; S70-V167 VanDerWaalsContact CA-O 3.25Å; S70-V167 WeakPolarHBondContact CA-O 3.39Å; V71-V167 PolarHBondContact N-O 3.28Å; V71-V167 PolarHBondContact O-N 3.44Å; L130-V167 HydrophobicContact CD1-CG1 3.94Å; L130-V167 HydrophobicContact CD2-CG1 4.22Å; L130-V167 HydrophobicContact CG-CG1 4.12Å; E131-V167 WeakPolarHBondContact O-CA 3.4Å; L132-V167 HydrophobicContact CD1-CG2 3.7Å; T165-V167 HydrophobicContact CG2-CG2 4.04Å
168R98.1Very high92.9Very high56 Ų5662.9 Ų62.921%0.21132%0.319CS..EExtended strand (participates in β ladder)trans-110.4130.7171.8-176.6176.2177.4-174.1-0.5109.7D66 S68 V69 L130 E131 W170D66-R168 IonicContact OD1-NH2 2.91Å; D66-R168 PolarHBondContact OD1-NH2 2.67Å; D66-R168 IonicContact OD2-NH2 3.05Å; D66-R168 PolarHBondContact OD2-NH2 3.26Å; S68-R168 PolarHBondContact OG-NE 3.4Å; S68-R168 PolarHBondContact OG-NH2 2.94Å; S68-R168 VanDerWaalsContact OG-NH2 3.1Å; V69-R168 CarbonylContact O-C 3.53Å; V69-R168 VanDerWaalsContact O-CA 3.32Å; V69-R168 WeakPolarHBondContact O-CA 3.4Å; L130-R168 CarbonylContact C-O 3.57Å; L130-R168 WeakPolarHBondContact CA-O 3.39Å; E131-R168 HydrophobicContact CB-CB 4.4Å; E131-R168 PolarHBondContact N-O 3.33Å; E131-R168 PolarHBondContact O-N 3.05Å; R168-W170 HydrophobicContact CB-CZ3 4.29Å; R168-W170 VanDerWaalsContact CD-CH2 3.45Å; R168-W170 HydrophobicContact CG-CE3 4.41Å; R168-W170 HydrophobicContact CG-CH2 3.71Å; R168-W170 HydrophobicContact CG-CZ2 4.33Å; R168-W170 HydrophobicContact CG-CZ3 3.75Å; R168-W170 VanDerWaalsContact CZ-CZ2 3.44Å; R168-W170 VanDerWaalsContact NE-CZ2 3.29Å
169F97.8Very high92.3Very high0 Ų063.5 Ų63.50%032%0.317CS..EExtended strand (participates in β ladder)trans-137.6144.7-175.769.8-90.8000112.6M39 V40 V43 S68 V69 V123 S127 K129 L130 P171 F182M39-F169 HydrophobicContact CB-CE2 3.93Å; M39-F169 HydrophobicContact CB-CZ 4.02Å; M39-F169 HydrophobicContact CE-CD2 3.77Å; M39-F169 HydrophobicContact CE-CE2 3.76Å; V40-F169 HydrophobicContact CB-CZ 4.47Å; V40-F169 HydrophobicContact CG2-CZ 3.78Å; V43-F169 HydrophobicContact CG2-CD1 4.49Å; V43-F169 HydrophobicContact CG2-CE1 4.2Å; S68-F169 WeakPolarHBondContact CA-O 3.36Å; S68-F169 VanDerWaalsContact CB-O 3.25Å; S68-F169 WeakPolarHBondContact CB-O 3.19Å; V69-F169 HydrophobicContact CB-CE1 4.02Å; V69-F169 HydrophobicContact CB-CZ 4.05Å; V69-F169 HydrophobicContact CG1-CE1 4.14Å; V69-F169 HydrophobicContact CG1-CZ 4.4Å; V69-F169 PolarHBondContact N-O 3.4Å; V69-F169 VanDerWaalsContact N-O 3.1Å; V69-F169 WeakPolarHBondContact O-CD1 3.48Å; V69-F169 PolarHBondContact O-N 2.99Å; V123-F169 HydrophobicContact CG1-CB 4.35Å; V123-F169 HydrophobicContact CG1-CD1 4.03Å; V123-F169 HydrophobicContact CG1-CD2 4.13Å; V123-F169 HydrophobicContact CG1-CE1 4.32Å; V123-F169 HydrophobicContact CG1-CE2 4.39Å; V123-F169 HydrophobicContact CG1-CG 3.92Å; V123-F169 HydrophobicContact CG1-CZ 4.48Å; S127-F169 WeakPolarHBondContact OG-CB 3.29Å; K129-F169 WeakPolarHBondContact O-CA 3.27Å; L130-F169 HydrophobicContact CB-CB 4.31Å; L130-F169 HydrophobicContact CD1-CB 4.05Å; L130-F169 HydrophobicContact CG-CB 4.06Å; F169-P171 HydrophobicContact CD2-CG 4.34Å; F169-P171 HydrophobicContact CE2-CG 4.24Å; F169-F182 HydrophobicContact CE2-CE1 4.4Å; F169-F182 AromaticContact CE2-CZ 3.75Å; F169-F182 HydrophobicContact CE2-CZ 3.75Å; F169-F182 HydrophobicContact CZ-CZ 4.15Å
170W96.3Very high91.8Very high42 Ų4257.7 Ų57.716%0.15929%0.294CS..EExtended strand (participates in β ladder)trans-109.2109.4175.8-70-103.6000107.4D66 S127 Q128 K129 E131 R168D66-W170 PolarHBondContact OD2-NE1 2.66Å; S127-W170 CarbonylContact C-O 3.57Å; S127-W170 WeakPolarHBondContact CA-O 3.5Å; S127-W170 VanDerWaalsContact CB-O 3.26Å; S127-W170 WeakPolarHBondContact CB-O 3.46Å; Q128-W170 PolarHBondContact N-O 3.26Å; K129-W170 HydrophobicContact CB-CB 4.22Å; K129-W170 HydrophobicContact CB-CD2 4.15Å; K129-W170 HydrophobicContact CB-CE3 3.79Å; K129-W170 HydrophobicContact CB-CG 4.36Å; K129-W170 HydrophobicContact CD-CD2 4.25Å; K129-W170 HydrophobicContact CD-CE3 3.87Å; K129-W170 HydrophobicContact CD-CH2 4.25Å; K129-W170 HydrophobicContact CD-CZ3 3.88Å; K129-W170 HydrophobicContact CG-CD2 4.46Å; K129-W170 HydrophobicContact CG-CE3 3.8Å; K129-W170 HydrophobicContact CG-CZ3 4.03Å; K129-W170 PolarHBondContact O-N 3.41Å; E131-W170 HydrophobicContact CB-CZ3 4.13Å; R168-W170 HydrophobicContact CB-CZ3 4.29Å; R168-W170 VanDerWaalsContact CD-CH2 3.45Å; R168-W170 HydrophobicContact CG-CE3 4.41Å; R168-W170 HydrophobicContact CG-CH2 3.71Å; R168-W170 HydrophobicContact CG-CZ2 4.33Å; R168-W170 HydrophobicContact CG-CZ3 3.75Å; R168-W170 VanDerWaalsContact CZ-CZ2 3.44Å; R168-W170 VanDerWaalsContact NE-CZ2 3.29Å
171P94.3Very high91.5Very high12 Ų1262.6 Ų62.68%0.07832%0.315CS..EExtended strand (participates in β ladder)trans-54.1142178-25.234000112.1L36 F169 L173 F176 F182L36-P171 HydrophobicContact CD1-CB 3.6Å; L36-P171 HydrophobicContact CD1-CG 3.49Å; L36-P171 VanDerWaalsContact CD1-CG 3.49Å; F169-P171 HydrophobicContact CD2-CG 4.34Å; F169-P171 HydrophobicContact CE2-CG 4.24Å; P171-L173 PolarHBondContact O-N 3.03Å; P171-F176 HydrophobicContact CB-CD2 3.94Å; P171-F176 HydrophobicContact CB-CE2 4.28Å; P171-F182 HydrophobicContact CG-CE1 4.49Å; P171-F182 HydrophobicContact CG-CE2 3.52Å; P171-F182 HydrophobicContact CG-CZ 3.36Å
172S93.2Very high91.5Very high3 Ų353 Ų532%0.02127%0.27CS..  trans-69.4116.6176.1177.80000110.5L126 E174 T175 F176L126-S172 VanDerWaalsContact O-CB 3.27Å; L126-S172 WeakPolarHBondContact O-CB 3.37Å; L126-S172 PolarHBondContact O-N 2.71Å; S172-E174 PolarHBondContact O-N 2.96Å; S172-E174 PolarHBondContact OG-N 3.49Å; S172-T175 PolarHBondContact O-N 3.22Å; S172-F176 PolarHBondContact O-N 3.17Å
173L89Confident91.3Very high110 Ų11048.7 Ų48.758%0.57625%0.252SS*.THydrogen-bonded Turntrans-67-12173.7-57.7-178.9000112.9P171 T180P171-L173 PolarHBondContact O-N 3.03Å; L173-T180 HydrophobicContact CD2-CG2 3.74Å
174E88Confident91Very high161 Ų16145.8 Ų45.875%0.75223%0.233SC*.THydrogen-bonded Turntrans-81.1-25.2170.8-59.2-175.6169.400112.4S172S172-E174 PolarHBondContact O-N 2.96Å; S172-E174 PolarHBondContact OG-N 3.49Å
175T88.2Confident90.6Very high23 Ų2350.5 Ų50.514%0.14126%0.255CS..THydrogen-bonded Turntrans-90.5-45.8178.8-58.60000110.9P23 T30 L126 S172P23-T175 HydrophobicContact CB-CG2 3.96Å; P23-T175 HydrophobicContact CG-CG2 3.98Å; T30-T175 HydrophobicContact CG2-CG2 4Å; L126-T175 HydrophobicContact CD2-CG2 4.1Å; S172-T175 PolarHBondContact O-N 3.22Å
176F88.8Confident90.3Very high1 Ų151.9 Ų51.90%0.00426%0.261CS..  trans-10592.4-177.8-59.2-78.8000108.7T30 L36 M39 L126 P171 S172 T180T30-F176 HydrophobicContact CG2-CD1 4.39Å; T30-F176 HydrophobicContact CG2-CE1 3.96Å; L36-F176 HydrophobicContact CB-CD1 3.93Å; L36-F176 HydrophobicContact CB-CE1 3.9Å; L36-F176 HydrophobicContact CD1-CD1 4.35Å; L36-F176 HydrophobicContact CD1-CD2 4.19Å; L36-F176 HydrophobicContact CD1-CE1 4.5Å; L36-F176 HydrophobicContact CD1-CE2 4.35Å; L36-F176 HydrophobicContact CD1-CG 4.2Å; L36-F176 HydrophobicContact CD1-CZ 4.49Å; M39-F176 HydrophobicContact CG-CZ 4.4Å; M39-F176 HydrophobicContact SD-CE2 3.41Å; M39-F176 WeakPolarHBondContact SD-CE2 3.29Å; M39-F176 HydrophobicContact SD-CZ 3.46Å; M39-F176 WeakPolarHBondContact SD-CZ 3.19Å; L126-F176 HydrophobicContact CB-CE2 4.35Å; P171-F176 HydrophobicContact CB-CD2 3.94Å; P171-F176 HydrophobicContact CB-CE2 4.28Å; S172-F176 PolarHBondContact O-N 3.17Å; F176-T180 VanDerWaalsContact O-CG2 3.24Å; F176-T180 WeakPolarHBondContact O-CG2 3.5Å
177T82.8Confident90.1Very high84 Ų8449.5 Ų49.552%0.51525%0.25SC..SBendtrans-95.8-30.5-172.957.50000113.6
178N79.5Confident89.8Confident110 Ų11049.3 Ų49.359%0.58825%0.248SC*.SBendtrans-94.9-46.8-173.3-63.9-12.8000112.2D31D31-N178 WeakPolarHBondContact O-CB 3.42Å
179V80.8Confident89.4Confident39 Ų3948.5 Ų48.524%0.23625%0.246CC..  trans-118.1106.2177.5-178.40000108.1L36L36-V179 HydrophobicContact CD2-CG1 4.48Å
180T84.9Confident89.1Confident52 Ų5249.2 Ų49.232%0.31925%0.249SC..  trans-103.4-17.9-179.453.60000112.8N67 L173 F176N67-T180 PolarHBondContact ND2-O 3.43Å; L173-T180 HydrophobicContact CD2-CG2 3.74Å; F176-T180 VanDerWaalsContact O-CG2 3.24Å; F176-T180 WeakPolarHBondContact O-CG2 3.5Å
181E86.2Confident89Confident129 Ų12947.3 Ų47.360%0.60324%0.242SC*.SBendtrans-94.9133.8-173.7-64.6-172.9173.500111.9
182F92.1Very high88.9Confident3 Ų349.1 Ų49.11%0.01325%0.247CC..  trans-72.2133.7170.5-66.6-79.8000110.4L36 V40 I63 N67 V69 F169 P171 R209L36-F182 HydrophobicContact CD1-CD1 4.37Å; L36-F182 HydrophobicContact CD1-CE1 3.67Å; L36-F182 HydrophobicContact CD1-CE2 4.33Å; L36-F182 HydrophobicContact CD1-CZ 3.67Å; L36-F182 HydrophobicContact CD2-CD1 4.27Å; L36-F182 HydrophobicContact CD2-CE1 4.38Å; L36-F182 HydrophobicContact CG-CD1 3.9Å; L36-F182 HydrophobicContact CG-CE1 3.61Å; L36-F182 HydrophobicContact CG-CZ 4.12Å; L36-F182 WeakPolarHBondContact O-CE1 3.32Å; V40-F182 HydrophobicContact CG2-CD1 3.87Å; V40-F182 HydrophobicContact CG2-CE1 3.48Å; V40-F182 VanDerWaalsContact CG2-CE1 3.48Å; V40-F182 HydrophobicContact CG2-CZ 4.27Å; I63-F182 HydrophobicContact CD1-CB 4.21Å; I63-F182 HydrophobicContact CG2-CB 4.43Å; N67-F182 WeakPolarHBondContact O-CD2 3.3Å; N67-F182 VanDerWaalsContact O-CE2 3.26Å; N67-F182 WeakPolarHBondContact O-CE2 3.44Å; N67-F182 PolarHBondContact OD1-N 3.13Å; V69-F182 HydrophobicContact CB-CE2 4.25Å; V69-F182 HydrophobicContact CB-CZ 4.28Å; V69-F182 HydrophobicContact CG2-CB 4.46Å; V69-F182 HydrophobicContact CG2-CD1 4.02Å; V69-F182 HydrophobicContact CG2-CD2 3.41Å; V69-F182 VanDerWaalsContact CG2-CD2 3.41Å; V69-F182 HydrophobicContact CG2-CE1 4.02Å; V69-F182 HydrophobicContact CG2-CE2 3.4Å; V69-F182 VanDerWaalsContact CG2-CE2 3.4Å; V69-F182 HydrophobicContact CG2-CG 3.7Å; V69-F182 HydrophobicContact CG2-CZ 3.7Å; F169-F182 HydrophobicContact CE2-CE1 4.4Å; F169-F182 AromaticContact CE2-CZ 3.75Å; F169-F182 HydrophobicContact CE2-CZ 3.75Å; F169-F182 HydrophobicContact CZ-CZ 4.15Å; P171-F182 HydrophobicContact CG-CE1 4.49Å; P171-F182 HydrophobicContact CG-CE2 3.52Å; P171-F182 HydrophobicContact CG-CZ 3.36Å; F182-R209 PolarHBondContact O-NH1 2.85Å; F182-R209 PolarHBondContact O-NH2 2.83Å
183E89.7Confident88.9Confident56 Ų5649.6 Ų49.626%0.26225%0.249SC..  trans-93.5114.4174.7-57.9-163.9-130.500110.3H37 E185 I186 L187 K768H37-E183 WeakPolarHBondContact NE2-CA 3.46Å; H37-E183 WeakPolarHBondContact NE2-CB 3.44Å; H37-E183 PolarHBondContact NE2-N 3.07Å; E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.23Å; E183-I186 HydrophobicContact CB-CB 4.39Å; E183-I186 HydrophobicContact CB-CD1 3.96Å; E183-I186 HydrophobicContact CB-CG1 4.05Å; E183-I186 HydrophobicContact CG-CD1 4.28Å; E183-I186 PolarHBondContact O-N 2.76Å; E183-L187 PolarHBondContact O-N 3.44Å; E183-K768 IonicContact OE1-NZ 2.89Å; E183-K768 PolarHBondContact OE1-NZ 2.91Å; E183-K768 VanDerWaalsContact OE2-CD 3.25Å; E183-K768 WeakPolarHBondContact OE2-CD 3.28Å; E183-K768 WeakPolarHBondContact OE2-CE 3.26Å; E183-K768 IonicContact OE2-NZ 2.74Å; E183-K768 PolarHBondContact OE2-NZ 3.01Å
184Y91.5Very high89Confident12 Ų1244.4 Ų44.45%0.04722%0.222CC..Hα-helixtrans-53.1-44.8-179.9-176.8-82.7000113I63 I186 L187 A188 L205 D207 K212 E213 D214I63-Y184 HydrophobicContact CD1-CD2 4.27Å; Y184-I186 VanDerWaalsContact C-N 3.3Å; Y184-I186 PolarHBondContact O-N 3.48Å; Y184-L187 PolarHBondContact O-N 3.2Å; Y184-A188 HydrophobicContact CD1-CB 4.03Å; Y184-A188 HydrophobicContact CE1-CB 3.78Å; Y184-A188 WeakPolarHBondContact O-CB 3.45Å; Y184-A188 PolarHBondContact O-N 2.79Å; Y184-L205 HydrophobicContact CD1-CD2 4.14Å; Y184-L205 HydrophobicContact CD2-CD2 3.78Å; Y184-L205 HydrophobicContact CD2-CG 4.02Å; Y184-L205 HydrophobicContact CE1-CD2 3.83Å; Y184-L205 HydrophobicContact CE2-CB 4.46Å; Y184-L205 HydrophobicContact CE2-CD1 4.5Å; Y184-L205 HydrophobicContact CE2-CD2 3.53Å; Y184-L205 HydrophobicContact CE2-CG 3.51Å; Y184-L205 HydrophobicContact CG-CD2 4.13Å; Y184-D207 HydrophobicContact CD2-CB 3.63Å; Y184-D207 HydrophobicContact CE2-CB 3.91Å; Y184-K212 HydrophobicContact CD1-CD 3.61Å; Y184-K212 HydrophobicContact CD2-CB 4.5Å; Y184-K212 HydrophobicContact CD2-CD 4.3Å; Y184-K212 HydrophobicContact CE1-CD 3.45Å; Y184-K212 VanDerWaalsContact CE1-CD 3.45Å; Y184-K212 HydrophobicContact CE1-CG 3.98Å; Y184-K212 HydrophobicContact CE2-CB 4.06Å; Y184-K212 HydrophobicContact CE2-CD 4.1Å; Y184-K212 HydrophobicContact CE2-CG 4.03Å; Y184-K212 HydrophobicContact CG-CD 4.02Å; Y184-E213 VanDerWaalsContact OH-C 3.26Å; Y184-D214 WeakPolarHBondContact CE1-OD2 3.27Å; Y184-D214 WeakPolarHBondContact OH-CB 3.49Å; Y184-D214 VanDerWaalsContact OH-CG 3.26Å; Y184-D214 PolarHBondContact OH-N 2.7Å; Y184-D214 PolarHBondContact OH-OD2 3.12Å
185E88.6Confident89.2Confident101 Ų10136.7 Ų36.747%0.47219%0.186SC..Hα-helixtrans-65.1-33.9-173.7-54.9-58.6168.600112.7E183 A188 K189 K212E183-E185 VanDerWaalsContact C-N 3.29Å; E183-E185 PolarHBondContact O-N 3.23Å; E185-A188 PolarHBondContact O-N 2.86Å; E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.34Å; E185-K212 IonicContact OE1-NZ 2.85Å; E185-K212 PolarHBondContact OE1-NZ 2.71Å; E185-K212 IonicContact OE2-NZ 4Å; E185-K212 PolarHBondContact OE2-NZ 2.8Å; E185-K212 VanDerWaalsContact OE2-NZ 3.15Å
186I89.5Confident89.4Confident40 Ų4035.7 Ų35.721%0.20518%0.179CC..Hα-helixtrans-66.3-42.5177.2-64-179000109.9H37 F41 E183 Y184 R190H37-I186 HydrophobicContact CB-CG2 4.02Å; F41-I186 HydrophobicContact CZ-CG2 4.02Å; E183-I186 HydrophobicContact CB-CB 4.39Å; E183-I186 HydrophobicContact CB-CD1 3.96Å; E183-I186 HydrophobicContact CB-CG1 4.05Å; E183-I186 HydrophobicContact CG-CD1 4.28Å; E183-I186 PolarHBondContact O-N 2.76Å; Y184-I186 VanDerWaalsContact C-N 3.3Å; Y184-I186 PolarHBondContact O-N 3.48Å; I186-R190 PolarHBondContact O-N 2.84Å
187L93.7Very high89.5Confident0 Ų036.2 Ų36.20%018%0.182CC..Hα-helixtrans-68.3-47.2176-57-174.1000111.2H37 V40 F41 I63 E183 Y184 K189 R190 L191 L205H37-L187 HydrophobicContact CB-CD2 4.45Å; V40-L187 HydrophobicContact CB-CD2 3.88Å; V40-L187 HydrophobicContact CG1-CD1 4.33Å; V40-L187 HydrophobicContact CG1-CD2 3.94Å; V40-L187 HydrophobicContact CG2-CD1 4.39Å; V40-L187 HydrophobicContact CG2-CD2 4Å; F41-L187 HydrophobicContact CD1-CD2 4.38Å; F41-L187 HydrophobicContact CE1-CD2 3.6Å; F41-L187 HydrophobicContact CZ-CD2 4.11Å; I63-L187 HydrophobicContact CD1-CD1 3.94Å; I63-L187 HydrophobicContact CG1-CD1 4.1Å; E183-L187 PolarHBondContact O-N 3.44Å; Y184-L187 PolarHBondContact O-N 3.2Å; L187-K189 VanDerWaalsContact C-N 3.32Å; L187-K189 PolarHBondContact O-N 3.35Å; L187-R190 PolarHBondContact O-N 3.09Å; L187-R190 VanDerWaalsContact O-N 3.13Å; L187-L191 WeakPolarHBondContact O-CB 3.33Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.44Å; L187-L205 HydrophobicContact CB-CD1 4.24Å; L187-L205 HydrophobicContact CB-CD2 3.96Å; L187-L205 HydrophobicContact CD1-CD1 4.31Å
188A92.8Very high89.7Confident1 Ų132.7 Ų32.71%0.00816%0.16CC..Hα-helixtrans-55.7-45.7-179.900000111.8Y184 E185 R190 R192 L205 F216Y184-A188 HydrophobicContact CD1-CB 4.03Å; Y184-A188 HydrophobicContact CE1-CB 3.78Å; Y184-A188 WeakPolarHBondContact O-CB 3.45Å; Y184-A188 PolarHBondContact O-N 2.79Å; E185-A188 PolarHBondContact O-N 2.86Å; A188-R190 PolarHBondContact O-N 3.04Å; A188-R192 VanDerWaalsContact O-CB 3.3Å; A188-R192 WeakPolarHBondContact O-CB 3.21Å; A188-R192 PolarHBondContact O-N 2.87Å; A188-L205 HydrophobicContact CB-CD2 3.73Å; A188-F216 HydrophobicContact CB-CZ 4.06Å; A188-F216 WeakPolarHBondContact O-CZ 3.26Å
189K90Very high90Very high40 Ų4030.7 Ų30.717%0.17416%0.155CC..Hα-helixtrans-54.4-54.6174.6-177.9-163.4-175.1-179.50111.4E185 L187 R192 E193 D769E185-K189 WeakPolarHBondContact O-CB 3.41Å; E185-K189 PolarHBondContact O-N 3.34Å; L187-K189 VanDerWaalsContact C-N 3.32Å; L187-K189 PolarHBondContact O-N 3.35Å; K189-R192 WeakPolarHBondContact O-CB 3.42Å; K189-R192 PolarHBondContact O-N 3.28Å; K189-E193 WeakPolarHBondContact CE-OE1 3.46Å; K189-E193 WeakPolarHBondContact O-CG 3.48Å; K189-E193 PolarHBondContact O-N 3.4Å; K189-D769 WeakPolarHBondContact CB-OD2 3.12Å; K189-D769 HydrophobicContact CD-CB 3.97Å; K189-D769 WeakPolarHBondContact CD-OD1 3.39Å; K189-D769 WeakPolarHBondContact CE-OD1 3.47Å; K189-D769 HydrophobicContact CG-CB 4.44Å; K189-D769 VanDerWaalsContact CG-CG 3.47Å; K189-D769 WeakPolarHBondContact CG-OD1 3.38Å; K189-D769 WeakPolarHBondContact CG-OD2 3.22Å; K189-D769 IonicContact NZ-OD1 2.86Å
190R90.8Very high90.2Very high15 Ų1530.4 Ų30.46%0.05716%0.16CC..Hα-helixtrans-66.1-42.6-173.6-175.763.6-177.9135.310.2112F41 D45 I186 L187 A188 R192 E193 L194 N272 P274F41-R190 HydrophobicContact CD1-CB 4.16Å; F41-R190 HydrophobicContact CD1-CG 3.68Å; F41-R190 HydrophobicContact CD2-CG 4.48Å; F41-R190 HydrophobicContact CE1-CB 3.46Å; F41-R190 VanDerWaalsContact CE1-CB 3.46Å; F41-R190 HydrophobicContact CE1-CG 3.5Å; F41-R190 VanDerWaalsContact CE1-CG 3.5Å; F41-R190 HydrophobicContact CE2-CG 4.34Å; F41-R190 HydrophobicContact CG-CG 4.18Å; F41-R190 HydrophobicContact CZ-CB 3.67Å; F41-R190 HydrophobicContact CZ-CG 3.85Å; D45-R190 IonicContact OD1-NH2 3.6Å; I186-R190 PolarHBondContact O-N 2.84Å; L187-R190 PolarHBondContact O-N 3.09Å; L187-R190 VanDerWaalsContact O-N 3.13Å; A188-R190 PolarHBondContact O-N 3.04Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 3.4Å; R190-E193 IonicContact NH1-OE2 3.43Å; R190-E193 PolarHBondContact NH1-OE2 3.35Å; R190-E193 PolarHBondContact O-N 3.29Å; R190-L194 HydrophobicContact CG-CD1 4.35Å; R190-L194 WeakPolarHBondContact O-CG 3.1Å; R190-L194 PolarHBondContact O-N 3.45Å; R190-N272 PolarHBondContact NH1-O 3.33Å; R190-N272 VanDerWaalsContact NH1-O 3.15Å; R190-N272 PolarHBondContact NH2-O 3.06Å; R190-P274 VanDerWaalsContact CZ-CD 3.46Å; R190-P274 VanDerWaalsContact NH1-CD 3.34Å
191L94.2Very high90.5Very high2 Ų228.4 Ų28.41%0.0115%0.148CC..Hα-helixtrans-65.2-36.6178-64.4173.8000111.6V44 V61 L187 L194 S195 I203 L205 F216V44-L191 HydrophobicContact CG1-CD2 3.72Å; V44-L191 HydrophobicContact CG2-CD2 4.03Å; V61-L191 HydrophobicContact CB-CD1 3.99Å; V61-L191 HydrophobicContact CG1-CD1 4.4Å; V61-L191 HydrophobicContact CG2-CD1 3.83Å; V61-L191 HydrophobicContact CG2-CD2 3.93Å; L187-L191 WeakPolarHBondContact O-CB 3.33Å; L187-L191 VanDerWaalsContact O-CG 3.24Å; L187-L191 WeakPolarHBondContact O-CG 3.33Å; L187-L191 PolarHBondContact O-N 3.44Å; L191-L194 HydrophobicContact CD2-CD1 4.49Å; L191-L194 PolarHBondContact O-N 2.82Å; L191-S195 PolarHBondContact O-N 3.12Å; L191-S195 PolarHBondContact O-OG 2.58Å; L191-I203 HydrophobicContact CB-CG2 3.9Å; L191-I203 HydrophobicContact CD1-CG2 4.25Å; L191-I203 HydrophobicContact CD2-CG2 3.78Å; L191-I203 HydrophobicContact CG-CG2 4.17Å; L191-L205 HydrophobicContact CD1-CB 3.84Å; L191-L205 HydrophobicContact CD1-CD1 3.94Å; L191-L205 HydrophobicContact CD1-CD2 4.19Å; L191-L205 HydrophobicContact CD1-CG 4.2Å; L191-F216 HydrophobicContact CB-CD2 3.81Å; L191-F216 HydrophobicContact CB-CE2 3.83Å
192R92.9Very high91Very high50 Ų5023 Ų2319%0.18912%0.124CC..Hα-helixtrans-61.7-48.9171.9-167.4-167.8-50.4-86.1-1.6111.9A188 K189 R190 L194 S195 F196 F216 Y218 Y228A188-R192 VanDerWaalsContact O-CB 3.3Å; A188-R192 WeakPolarHBondContact O-CB 3.21Å; A188-R192 PolarHBondContact O-N 2.87Å; K189-R192 WeakPolarHBondContact O-CB 3.42Å; K189-R192 PolarHBondContact O-N 3.28Å; R190-R192 VanDerWaalsContact C-N 3.32Å; R190-R192 PolarHBondContact O-N 3.4Å; R192-L194 VanDerWaalsContact C-N 3.3Å; R192-L194 PolarHBondContact O-N 2.98Å; R192-S195 PolarHBondContact O-N 3.1Å; R192-S195 PolarHBondContact O-OG 3.4Å; R192-F196 HydrophobicContact CG-CD2 4.36Å; R192-F196 HydrophobicContact CG-CE2 3.94Å; R192-F196 VanDerWaalsContact O-CD2 3.31Å; R192-F196 WeakPolarHBondContact O-CD2 3.44Å; R192-F196 PolarHBondContact O-N 2.93Å; R192-F216 HydrophobicContact CB-CD1 3.91Å; R192-F216 HydrophobicContact CB-CE1 3.97Å; R192-F216 HydrophobicContact CB-CG 4.26Å; R192-F216 HydrophobicContact CB-CZ 4.35Å; R192-F216 HydrophobicContact CG-CD1 3.93Å; R192-F216 HydrophobicContact CG-CE1 4.19Å; R192-F216 VanDerWaalsContact CZ-CE1 3.47Å; R192-Y218 HydrophobicContact CG-CE2 3.87Å; R192-Y218 PolarHBondContact NH1-OH 3.37Å; R192-Y228 VanDerWaalsContact CD-CZ 3.48Å; R192-Y228 WeakPolarHBondContact CD-OH 3.47Å; R192-Y228 PolarHBondContact NE-OH 2.92Å; R192-Y228 PolarHBondContact NH1-OH 2.96Å
193E91.9Very high91.2Very high12 Ų1222.8 Ų22.86%0.05612%0.123CC..Hα-helixtrans-56.3-45.7175.7-68.1171.4178.200111.4K189 R190 S195 F196 L197 F225 F269 I771K189-E193 WeakPolarHBondContact CE-OE1 3.46Å; K189-E193 WeakPolarHBondContact O-CG 3.48Å; K189-E193 PolarHBondContact O-N 3.4Å; R190-E193 IonicContact NH1-OE2 3.43Å; R190-E193 PolarHBondContact NH1-OE2 3.35Å; R190-E193 PolarHBondContact O-N 3.29Å; E193-S195 PolarHBondContact O-N 2.9Å; E193-F196 PolarHBondContact O-N 2.96Å; E193-L197 WeakPolarHBondContact O-CD1 3.27Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.38Å; E193-L197 PolarHBondContact O-N 3.36Å; E193-F225 HydrophobicContact CG-CE1 4.41Å; E193-F225 HydrophobicContact CG-CZ 3.95Å; E193-F269 HydrophobicContact CB-CE1 4.47Å; E193-I771 HydrophobicContact CG-CD1 4.32Å
194L92.3Very high91.6Very high1 Ų123 Ų231%0.00512%0.122CC..Hα-helixtrans-61.9-39.7179.8-75.2170.7000112.9V44 I48 R190 L191 R192 F196 L197 N198 I203 N272V44-L194 HydrophobicContact CG1-CD1 3.62Å; I48-L194 HydrophobicContact CD1-CB 4.15Å; I48-L194 HydrophobicContact CD1-CD1 4.48Å; I48-L194 HydrophobicContact CG1-CD1 4.14Å; I48-L194 HydrophobicContact CG1-CD2 4.24Å; I48-L194 HydrophobicContact CG2-CD2 4.49Å; R190-L194 HydrophobicContact CG-CD1 4.35Å; R190-L194 WeakPolarHBondContact O-CG 3.1Å; R190-L194 PolarHBondContact O-N 3.45Å; L191-L194 HydrophobicContact CD2-CD1 4.49Å; L191-L194 PolarHBondContact O-N 2.82Å; R192-L194 VanDerWaalsContact C-N 3.3Å; R192-L194 PolarHBondContact O-N 2.98Å; L194-F196 VanDerWaalsContact C-N 3.32Å; L194-F196 PolarHBondContact O-N 2.91Å; L194-L197 PolarHBondContact O-N 2.91Å; L194-N198 WeakPolarHBondContact O-CB 3.39Å; L194-N198 PolarHBondContact O-N 3.35Å; L194-N198 PolarHBondContact O-ND2 3Å; L194-I203 HydrophobicContact CB-CD1 3.95Å; L194-N272 HydrophobicContact CD2-CB 3.96Å
195S92.6Very high91.9Very high0 Ų022.5 Ų22.50%012%0.12CC..Hα-helixtrans-67.1-29.2176.9600000113.4L191 R192 E193 N198 F216 Y218L191-S195 PolarHBondContact O-N 3.12Å; L191-S195 PolarHBondContact O-OG 2.58Å; R192-S195 PolarHBondContact O-N 3.1Å; R192-S195 PolarHBondContact O-OG 3.4Å; E193-S195 PolarHBondContact O-N 2.9Å; S195-N198 CarbonylContact O-C 3.24Å; S195-F216 WeakPolarHBondContact OG-CB 3.42Å; S195-Y218 WeakPolarHBondContact OG-CD2 3.41Å
196F92.4Very high92.3Very high1 Ų122 Ų220%0.00411%0.114CC..Hα-helixtrans-73.3-40.4169.8-77.3-64.7000112.7R192 E193 L194 N198 Y218 G221 A224 F225 Y228R192-F196 HydrophobicContact CG-CD2 4.36Å; R192-F196 HydrophobicContact CG-CE2 3.94Å; R192-F196 VanDerWaalsContact O-CD2 3.31Å; R192-F196 WeakPolarHBondContact O-CD2 3.44Å; R192-F196 PolarHBondContact O-N 2.93Å; E193-F196 PolarHBondContact O-N 2.96Å; L194-F196 VanDerWaalsContact C-N 3.32Å; L194-F196 PolarHBondContact O-N 2.91Å; F196-N198 PolarHBondContact O-N 3.42Å; F196-Y218 HydrophobicContact CD1-CD1 4.39Å; F196-Y218 HydrophobicContact CD1-CD2 4.06Å; F196-Y218 AromaticContact CD1-CG 3.79Å; F196-Y218 HydrophobicContact CD1-CG 3.79Å; F196-Y218 HydrophobicContact CD2-CD2 4.09Å; F196-Y218 HydrophobicContact CD2-CE2 4.3Å; F196-Y218 AromaticContact CE1-CD1 3.5Å; F196-Y218 HydrophobicContact CE1-CD1 3.5Å; F196-Y218 AromaticContact CE1-CD2 3.78Å; F196-Y218 HydrophobicContact CE1-CD2 3.78Å; F196-Y218 HydrophobicContact CE1-CE1 4.08Å; F196-Y218 HydrophobicContact CE1-CE2 4.33Å; F196-Y218 AromaticContact CE1-CG 3.33Å; F196-Y218 HydrophobicContact CE1-CG 3.33Å; F196-Y218 HydrophobicContact CE2-CD1 4.48Å; F196-Y218 AromaticContact CE2-CD2 3.82Å; F196-Y218 HydrophobicContact CE2-CD2 3.82Å; F196-Y218 HydrophobicContact CE2-CE1 4.39Å; F196-Y218 AromaticContact CE2-CE2 3.72Å; F196-Y218 HydrophobicContact CE2-CE2 3.72Å; F196-Y218 HydrophobicContact CE2-CG 4.21Å; F196-Y218 HydrophobicContact CG-CD2 4.19Å; F196-Y218 HydrophobicContact CG-CG 4.39Å; F196-Y218 AromaticContact CZ-CD1 3.55Å; F196-Y218 HydrophobicContact CZ-CD1 3.55Å; F196-Y218 AromaticContact CZ-CD2 3.64Å; F196-Y218 HydrophobicContact CZ-CD2 3.64Å; F196-Y218 AromaticContact CZ-CE1 3.61Å; F196-Y218 HydrophobicContact CZ-CE1 3.61Å; F196-Y218 AromaticContact CZ-CE2 3.72Å; F196-Y218 HydrophobicContact CZ-CE2 3.72Å; F196-Y218 AromaticContact CZ-CG 3.56Å; F196-Y218 HydrophobicContact CZ-CG 3.56Å; F196-Y218 AromaticContact CZ-CZ 3.7Å; F196-G221 CarbonylContact O-C 3.55Å; F196-G221 VanDerWaalsContact O-C 3.24Å; F196-G221 WeakPolarHBondContact O-CA 3.49Å; F196-A224 HydrophobicContact CD1-CB 4.18Å; F196-A224 HydrophobicContact CE1-CB 4.03Å; F196-A224 WeakPolarHBondContact CE1-O 3.44Å; F196-F225 HydrophobicContact CB-CB 3.76Å; F196-F225 HydrophobicContact CB-CD1 3.85Å; F196-F225 HydrophobicContact CB-CD2 4.41Å; F196-F225 HydrophobicContact CB-CG 3.76Å; F196-F225 HydrophobicContact CD1-CB 3.7Å; F196-F225 HydrophobicContact CD1-CD2 4.47Å; F196-F225 HydrophobicContact CD1-CG 4.21Å; F196-F225 HydrophobicContact CD2-CB 4.11Å; F196-F225 HydrophobicContact CD2-CD1 4.3Å; F196-F225 AromaticContact CD2-CD2 3.43Å; F196-F225 HydrophobicContact CD2-CD2 3.43Å; F196-F225 VanDerWaalsContact CD2-CD2 3.43Å; F196-F225 AromaticContact CD2-CE2 3.91Å; F196-F225 HydrophobicContact CD2-CE2 3.91Å; F196-F225 AromaticContact CD2-CG 3.69Å; F196-F225 HydrophobicContact CD2-CG 3.69Å; F196-F225 HydrophobicContact CE1-CB 4.31Å; F196-F225 AromaticContact CE2-CD2 3.71Å; F196-F225 HydrophobicContact CE2-CD2 3.71Å; F196-F225 HydrophobicContact CE2-CE2 4.19Å; F196-F225 HydrophobicContact CE2-CG 4.33Å; F196-F225 HydrophobicContact CG-CB 3.6Å; F196-F225 HydrophobicContact CG-CD1 4.2Å; F196-F225 AromaticContact CG-CD2 3.87Å; F196-F225 HydrophobicContact CG-CD2 3.87Å; F196-F225 AromaticContact CG-CG 3.63Å; F196-F225 HydrophobicContact CG-CG 3.63Å; F196-F225 HydrophobicContact CZ-CD2 4.35Å; F196-Y228 AromaticContact CE2-CD1 3.83Å; F196-Y228 HydrophobicContact CE2-CD1 3.83Å; F196-Y228 HydrophobicContact CE2-CE1 4.43Å; F196-Y228 AromaticContact CE2-CG 3.9Å; F196-Y228 HydrophobicContact CE2-CG 3.9Å; F196-Y228 VanDerWaalsContact CZ-CB 3.46Å; F196-Y228 HydrophobicContact CZ-CD1 4.04Å; F196-Y228 HydrophobicContact CZ-CD2 4.16Å; F196-Y228 AromaticContact CZ-CG 3.62Å; F196-Y228 HydrophobicContact CZ-CG 3.62Å
197L90.5Very high92.4Very high12 Ų1220.3 Ų20.36%0.06311%0.105CC..Hα-helixtrans-71.7-18.5-179.5-66.7163.5000112.9E193 L194 I222 F269 N272E193-L197 WeakPolarHBondContact O-CD1 3.27Å; E193-L197 VanDerWaalsContact O-CG 3.28Å; E193-L197 WeakPolarHBondContact O-CG 3.38Å; E193-L197 PolarHBondContact O-N 3.36Å; L194-L197 PolarHBondContact O-N 2.91Å; L197-I222 HydrophobicContact CD2-CG2 3.91Å; L197-F269 HydrophobicContact CD1-CD1 3.48Å; L197-F269 VanDerWaalsContact CD1-CD1 3.48Å; L197-F269 HydrophobicContact CD1-CD2 4.46Å; L197-F269 HydrophobicContact CD1-CE1 3.68Å; L197-F269 HydrophobicContact CD1-CG 3.91Å; L197-F269 HydrophobicContact CD1-CZ 4.27Å; L197-F269 HydrophobicContact CD2-CB 4.17Å; L197-F269 HydrophobicContact CD2-CD1 4.31Å; L197-F269 HydrophobicContact CD2-CD2 3.88Å; L197-F269 HydrophobicContact CD2-CE2 4.35Å; L197-F269 HydrophobicContact CD2-CG 3.86Å; L197-N272 HydrophobicContact CD1-CB 4.38Å
198N87.7Confident92.2Very high10 Ų1023.5 Ų23.55%0.05312%0.119CC..SBendtrans-127.874.8178.9-54.6-82000108.8L52 L194 S195 F196 G200 V201 N272L52-N198 WeakPolarHBondContact CD2-OD1 3.47Å; L52-N198 WeakPolarHBondContact CG-OD1 3.43Å; L194-N198 WeakPolarHBondContact O-CB 3.39Å; L194-N198 PolarHBondContact O-N 3.35Å; L194-N198 PolarHBondContact O-ND2 3Å; S195-N198 CarbonylContact O-C 3.24Å; F196-N198 PolarHBondContact O-N 3.42Å; N198-G200 PolarHBondContact O-N 3.23Å; N198-V201 HydrophobicContact CB-CB 4.31Å; N198-V201 HydrophobicContact CB-CG2 3.72Å; N198-V201 WeakPolarHBondContact O-CB 3.5Å; N198-V201 WeakPolarHBondContact O-CG2 3.31Å; N198-V201 PolarHBondContact O-N 3.29Å; N198-V201 VanDerWaalsContact O-N 3.08Å; N198-N272 PolarHBondContact ND2-ND2 2.98Å; N198-N272 VanDerWaalsContact ND2-ND2 3.12Å; N198-N272 PolarHBondContact OD1-ND2 3.28Å
199S85.5Confident91.7Very high68 Ų6826.7 Ų26.748%0.47613%0.131SC..THydrogen-bonded Turntrans-49.9128.2-176.3-174.50000111.6G220S199-G220 PolarHBondContact OG-N 3.15Å
200G84.6Confident91.2Very high34 Ų3429.2 Ų29.235%0.35115%0.146SC..THydrogen-bonded Turntrans86.6-3.4178.600000115.7N198 H217 Y218N198-G200 PolarHBondContact O-N 3.23Å; G200-H217 PolarHBondContact O-CE1 3.43Å; G200-Y218 PolarHBondContact N-O 3.02Å; G200-Y218 VanDerWaalsContact N-O 3.1Å
201V91.6Very high90.7Very high10 Ų1031.1 Ų31.16%0.06117%0.17CC..  trans-76.6133.2169.7-177.40000109.4A51 I59 N198 I203 H217A51-V201 HydrophobicContact CB-CG1 4.28Å; A51-V201 HydrophobicContact CB-CG2 3.64Å; I59-V201 HydrophobicContact CD1-CG1 4.05Å; I59-V201 HydrophobicContact CG1-CG1 4.37Å; N198-V201 HydrophobicContact CB-CB 4.31Å; N198-V201 HydrophobicContact CB-CG2 3.72Å; N198-V201 WeakPolarHBondContact O-CB 3.5Å; N198-V201 WeakPolarHBondContact O-CG2 3.31Å; N198-V201 PolarHBondContact O-N 3.29Å; N198-V201 VanDerWaalsContact O-N 3.08Å; V201-I203 HydrophobicContact CG1-CD1 4.44Å; V201-I203 HydrophobicContact CG1-CG1 3.95Å; V201-H217 PolarHBondContact O-ND1 3.12Å
202S95.3Very high90.3Very high14 Ų1434.1 Ų34.110%0.09818%0.183CC..EExtended strand (participates in β ladder)trans-94.1118.1175.1175.30000109.5K57 E58 I59 H215K57-S202 WeakPolarHBondContact O-CB 3.38Å; K57-S202 PolarHBondContact O-N 2.93Å; E58-S202 CarbonylContact C-O 3.3Å; E58-S202 WeakPolarHBondContact CA-O 3.46Å; I59-S202 PolarHBondContact N-O 2.7Å; S202-H215 PolarHBondContact OG-NE2 2.83Å
203I97Very high90.4Very high0 Ų036.3 Ų36.30%020%0.195CC..EExtended strand (participates in β ladder)trans-120.6120.1179.1-50.9179.7000109.5I48 I59 L191 L194 V201 F216I48-I203 HydrophobicContact CD1-CD1 3.93Å; I59-I203 HydrophobicContact CB-CG1 4.4Å; I59-I203 HydrophobicContact CB-CG2 4.46Å; I59-I203 CarbonylContact O-C 3.55Å; I59-I203 WeakPolarHBondContact O-CA 3.29Å; L191-I203 HydrophobicContact CB-CG2 3.9Å; L191-I203 HydrophobicContact CD1-CG2 4.25Å; L191-I203 HydrophobicContact CD2-CG2 3.78Å; L191-I203 HydrophobicContact CG-CG2 4.17Å; L194-I203 HydrophobicContact CB-CD1 3.95Å; V201-I203 HydrophobicContact CG1-CD1 4.44Å; V201-I203 HydrophobicContact CG1-CG1 3.95Å; I203-F216 HydrophobicContact CB-CB 4.48Å; I203-F216 PolarHBondContact N-O 3.41Å; I203-F216 PolarHBondContact O-N 3.46Å
204R97.6Very high90.5Very high61 Ų6137.9 Ų37.923%0.2320%0.204CC..EExtended strand (participates in β ladder)trans-106.7134176-62.1-177.4-172.8-79.1-6.6110.4E58 I59 I60 V61 D214 H215E58-R204 IonicContact OE1-CZ 2.7Å; E58-R204 IonicContact OE1-NE 3.81Å; E58-R204 PolarHBondContact OE1-NE 3.36Å; E58-R204 IonicContact OE1-NH2 3.16Å; I59-R204 PolarHBondContact O-N 3.38Å; I60-R204 HydrophobicContact CG1-CB 4.49Å; I60-R204 HydrophobicContact CG2-CB 4.47Å; V61-R204 PolarHBondContact N-O 2.91Å; R204-D214 WeakPolarHBondContact CA-O 3.03Å; R204-H215 PolarHBondContact NH1-ND1 3.14Å; R204-H215 PolarHBondContact NH2-CE1 2.98Å
205L97.8Very high90.6Very high0 Ų042 Ų420%022%0.223CC..EExtended strand (participates in β ladder)trans-115124.4169.5178.762.6000108.9V61 Y184 L187 A188 L191 E213 D214 F216V61-L205 HydrophobicContact CB-CD1 3.91Å; V61-L205 HydrophobicContact CG1-CD1 3.74Å; V61-L205 CarbonylContact O-C 3.59Å; V61-L205 WeakPolarHBondContact O-CA 3.27Å; Y184-L205 HydrophobicContact CD1-CD2 4.14Å; Y184-L205 HydrophobicContact CD2-CD2 3.78Å; Y184-L205 HydrophobicContact CD2-CG 4.02Å; Y184-L205 HydrophobicContact CE1-CD2 3.83Å; Y184-L205 HydrophobicContact CE2-CB 4.46Å; Y184-L205 HydrophobicContact CE2-CD1 4.5Å; Y184-L205 HydrophobicContact CE2-CD2 3.53Å; Y184-L205 HydrophobicContact CE2-CG 3.51Å; Y184-L205 HydrophobicContact CG-CD2 4.13Å; L187-L205 HydrophobicContact CB-CD1 4.24Å; L187-L205 HydrophobicContact CB-CD2 3.96Å; L187-L205 HydrophobicContact CD1-CD1 4.31Å; A188-L205 HydrophobicContact CB-CD2 3.73Å; L191-L205 HydrophobicContact CD1-CB 3.84Å; L191-L205 HydrophobicContact CD1-CD1 3.94Å; L191-L205 HydrophobicContact CD1-CD2 4.19Å; L191-L205 HydrophobicContact CD1-CG 4.2Å; L205-E213 CarbonylContact O-C 3.51Å; L205-E213 VanDerWaalsContact O-CA 3.25Å; L205-E213 WeakPolarHBondContact O-CA 3.49Å; L205-D214 PolarHBondContact N-O 3.15Å; L205-D214 PolarHBondContact O-N 3.41Å; L205-F216 HydrophobicContact CB-CE2 4.32Å
206R96.7Very high90.7Very high92 Ų9242 Ų4235%0.34722%0.223SC..EExtended strand (participates in β ladder)trans-122.9133179.3-67.1174.8176.5168.7-1.9110.3V61 T62 I63 E213V61-R206 PolarHBondContact O-N 3.12Å; T62-R206 CarbonylContact C-O 3.56Å; T62-R206 WeakPolarHBondContact CA-O 3.43Å; T62-R206 HydrophobicContact CG2-CB 4.29Å; I63-R206 PolarHBondContact N-O 3.34Å; R206-E213 HydrophobicContact CG-CB 4.41Å; R206-E213 HydrophobicContact CG-CG 3.85Å; R206-E213 IonicContact CZ-OE1 2.72Å; R206-E213 IonicContact NE-OE1 3.84Å; R206-E213 PolarHBondContact NE-OE1 3.05Å; R206-E213 IonicContact NE-OE2 3.83Å; R206-E213 IonicContact NH2-OE1 3.27Å; R206-E213 PolarHBondContact NH2-OE1 3.44Å
207D93.3Very high90.8Very high3 Ų346 Ų462%0.01624%0.242CC..EExtended strand (participates in β ladder)trans-114.5106.5170.9-160.2-28.9000110Y184 R209 D210 G211 K212Y184-D207 HydrophobicContact CD2-CB 3.63Å; Y184-D207 HydrophobicContact CE2-CB 3.91Å; D207-R209 PolarHBondContact O-N 3.2Å; D207-R209 WeakPolarHBondContact OD1-CB 3.26Å; D207-R209 VanDerWaalsContact OD1-CG 3.32Å; D207-R209 WeakPolarHBondContact OD1-CG 3.43Å; D207-R209 IonicContact OD1-CZ 3.88Å; D207-R209 PolarHBondContact OD1-N 3.46Å; D207-R209 IonicContact OD1-NE 2.71Å; D207-R209 PolarHBondContact OD1-NE 2.81Å; D207-R209 IonicContact OD1-NH2 3.4Å; D207-R209 IonicContact OD2-CZ 3.8Å; D207-R209 IonicContact OD2-NE 2.66Å; D207-R209 PolarHBondContact OD2-NE 3.25Å; D207-R209 IonicContact OD2-NH2 2.91Å; D207-R209 PolarHBondContact OD2-NH2 3.48Å; D207-D210 WeakPolarHBondContact CB-OD1 3.41Å; D207-G211 CarbonylContact O-C 3.58Å; D207-G211 WeakPolarHBondContact O-CA 3.24Å; D207-G211 PolarHBondContact O-N 2.86Å; D207-K212 HydrophobicContact CB-CB 4.26Å; D207-K212 PolarHBondContact N-O 3.27Å; D207-K212 PolarHBondContact O-N 3.45Å
208K87.9Confident90.8Very high68 Ų6848.2 Ų48.230%0.29625%0.249SC..THydrogen-bonded Turntrans-76.1-11.4-179.6-65.6-178153.3-147.60112.7T62 I63 R600 E680T62-K208 HydrophobicContact CG2-CD 3.76Å; T62-K208 HydrophobicContact CG2-CG 3.91Å; I63-K208 WeakPolarHBondContact O-CB 3.18Å; I63-K208 PolarHBondContact O-N 3.05Å; K208-R600 PolarHBondContact O-NH1 2.9Å; K208-E680 VanDerWaalsContact CD-OE1 3.25Å; K208-E680 WeakPolarHBondContact CD-OE1 3.13Å; K208-E680 IonicContact NZ-OE1 3.58Å; K208-E680 PolarHBondContact NZ-OE1 2.84Å; K208-E680 IonicContact NZ-OE2 3.24Å; K208-E680 PolarHBondContact NZ-OE2 2.83Å
209R82.4Confident90.9Very high68 Ų6854.8 Ų54.826%0.25728%0.28SS..THydrogen-bonded Turntrans-71.1-41.3178.5-57.1173.1-63.41785.3111.1H64 N67 F182 D207H64-R209 WeakPolarHBondContact O-CG 3.26Å; N67-R209 PolarHBondContact OD1-NH1 3.01Å; N67-R209 VanDerWaalsContact OD1-NH1 3.09Å; F182-R209 PolarHBondContact O-NH1 2.85Å; F182-R209 PolarHBondContact O-NH2 2.83Å; D207-R209 PolarHBondContact O-N 3.2Å; D207-R209 WeakPolarHBondContact OD1-CB 3.26Å; D207-R209 VanDerWaalsContact OD1-CG 3.32Å; D207-R209 WeakPolarHBondContact OD1-CG 3.43Å; D207-R209 IonicContact OD1-CZ 3.88Å; D207-R209 PolarHBondContact OD1-N 3.46Å; D207-R209 IonicContact OD1-NE 2.71Å; D207-R209 PolarHBondContact OD1-NE 2.81Å; D207-R209 IonicContact OD1-NH2 3.4Å; D207-R209 IonicContact OD2-CZ 3.8Å; D207-R209 IonicContact OD2-NE 2.66Å; D207-R209 PolarHBondContact OD2-NE 3.25Å; D207-R209 IonicContact OD2-NH2 2.91Å; D207-R209 PolarHBondContact OD2-NH2 3.48Å
210D79.9Confident91.1Very high93 Ų9353.8 Ų53.850%0.49728%0.28SS..THydrogen-bonded Turntrans-124.5-2.9-177.568.8-0.6000114.6D207 K212D207-D210 WeakPolarHBondContact CB-OD1 3.41Å; D210-K212 VanDerWaalsContact OD1-CB 3.28Å; D210-K212 WeakPolarHBondContact OD1-CB 3.5Å; D210-K212 PolarHBondContact OD1-N 3.43Å
211G80Confident91.4Very high54 Ų5452.6 Ų52.656%0.55727%0.268SS*.  trans82.210.4178.200000114.3D207D207-G211 CarbonylContact O-C 3.58Å; D207-G211 WeakPolarHBondContact O-CA 3.24Å; D207-G211 PolarHBondContact O-N 2.86Å
212K86.8Confident91.5Very high65 Ų6552.1 Ų52.128%0.28327%0.265SS..  trans-70.6137.4179.5-164.4178.3177.5-159.80111Y184 E185 D207 D210Y184-K212 HydrophobicContact CD1-CD 3.61Å; Y184-K212 HydrophobicContact CD2-CB 4.5Å; Y184-K212 HydrophobicContact CD2-CD 4.3Å; Y184-K212 HydrophobicContact CE1-CD 3.45Å; Y184-K212 VanDerWaalsContact CE1-CD 3.45Å; Y184-K212 HydrophobicContact CE1-CG 3.98Å; Y184-K212 HydrophobicContact CE2-CB 4.06Å; Y184-K212 HydrophobicContact CE2-CD 4.1Å; Y184-K212 HydrophobicContact CE2-CG 4.03Å; Y184-K212 HydrophobicContact CG-CD 4.02Å; E185-K212 IonicContact OE1-NZ 2.85Å; E185-K212 PolarHBondContact OE1-NZ 2.71Å; E185-K212 IonicContact OE2-NZ 4Å; E185-K212 PolarHBondContact OE2-NZ 2.8Å; E185-K212 VanDerWaalsContact OE2-NZ 3.15Å; D207-K212 HydrophobicContact CB-CB 4.26Å; D207-K212 PolarHBondContact N-O 3.27Å; D207-K212 PolarHBondContact O-N 3.45Å; D210-K212 VanDerWaalsContact OD1-CB 3.28Å; D210-K212 WeakPolarHBondContact OD1-CB 3.5Å; D210-K212 PolarHBondContact OD1-N 3.43Å
213E93.9Very high91.5Very high96 Ų9655.5 Ų55.545%0.44928%0.278SS..EExtended strand (participates in β ladder)trans-139.7139174.9-178.7169.8-163.700110.9Y184 L205 R206Y184-E213 VanDerWaalsContact OH-C 3.26Å; L205-E213 CarbonylContact O-C 3.51Å; L205-E213 VanDerWaalsContact O-CA 3.25Å; L205-E213 WeakPolarHBondContact O-CA 3.49Å; R206-E213 HydrophobicContact CG-CB 4.41Å; R206-E213 HydrophobicContact CG-CG 3.85Å; R206-E213 IonicContact CZ-OE1 2.72Å; R206-E213 IonicContact NE-OE1 3.84Å; R206-E213 PolarHBondContact NE-OE1 3.05Å; R206-E213 IonicContact NE-OE2 3.83Å; R206-E213 IonicContact NH2-OE1 3.27Å; R206-E213 PolarHBondContact NH2-OE1 3.44Å
214D93.6Very high91.3Very high45 Ų4556.1 Ų56.124%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-127141.2168.9-80.1-66.4000109.8Y184 R204 L205 F216Y184-D214 WeakPolarHBondContact CE1-OD2 3.27Å; Y184-D214 WeakPolarHBondContact OH-CB 3.49Å; Y184-D214 VanDerWaalsContact OH-CG 3.26Å; Y184-D214 PolarHBondContact OH-N 2.7Å; Y184-D214 PolarHBondContact OH-OD2 3.12Å; R204-D214 WeakPolarHBondContact CA-O 3.03Å; L205-D214 PolarHBondContact N-O 3.15Å; L205-D214 PolarHBondContact O-N 3.41Å; D214-F216 HydrophobicContact CB-CE1 3.73Å; D214-F216 HydrophobicContact CB-CE2 3.84Å; D214-F216 HydrophobicContact CB-CZ 3.32Å
215H96.2Very high91.2Very high87 Ų8753.2 Ų53.240%0.40327%0.272SS..EExtended strand (participates in β ladder)trans-119114173.5-178.7-158.4000109.4S202 R204S202-H215 PolarHBondContact OG-NE2 2.83Å; R204-H215 PolarHBondContact NH1-ND1 3.14Å; R204-H215 PolarHBondContact NH2-CE1 2.98Å
216F94.1Very high91.1Very high1 Ų153.2 Ų53.20%0.00427%0.272CS..EExtended strand (participates in β ladder)trans-104.8109.8178.5-47.2-64.1000109.8A188 L191 R192 S195 I203 L205 D214 Y218A188-F216 HydrophobicContact CB-CZ 4.06Å; A188-F216 WeakPolarHBondContact O-CZ 3.26Å; L191-F216 HydrophobicContact CB-CD2 3.81Å; L191-F216 HydrophobicContact CB-CE2 3.83Å; R192-F216 HydrophobicContact CB-CD1 3.91Å; R192-F216 HydrophobicContact CB-CE1 3.97Å; R192-F216 HydrophobicContact CB-CG 4.26Å; R192-F216 HydrophobicContact CB-CZ 4.35Å; R192-F216 HydrophobicContact CG-CD1 3.93Å; R192-F216 HydrophobicContact CG-CE1 4.19Å; R192-F216 VanDerWaalsContact CZ-CE1 3.47Å; S195-F216 WeakPolarHBondContact OG-CB 3.42Å; I203-F216 HydrophobicContact CB-CB 4.48Å; I203-F216 PolarHBondContact N-O 3.41Å; I203-F216 PolarHBondContact O-N 3.46Å; L205-F216 HydrophobicContact CB-CE2 4.32Å; D214-F216 HydrophobicContact CB-CE1 3.73Å; D214-F216 HydrophobicContact CB-CE2 3.84Å; D214-F216 HydrophobicContact CB-CZ 3.32Å; F216-Y218 HydrophobicContact CB-CE2 4.07Å; F216-Y218 HydrophobicContact CD1-CE2 4.3Å
217H93.6Very high90.9Very high86 Ų8653.7 Ų53.740%0.39828%0.278SS..  trans-145.299175.8-176.158.3000108.2G200 V201G200-H217 PolarHBondContact O-CE1 3.43Å; V201-H217 PolarHBondContact O-ND1 3.12Å
218Y90.8Very high90.8Very high57 Ų5755.2 Ų55.222%0.22428%0.284CS..  trans-115.7132.3-176.2-61.1-77.2000110.4R192 S195 F196 G200 F216R192-Y218 HydrophobicContact CG-CE2 3.87Å; R192-Y218 PolarHBondContact NH1-OH 3.37Å; S195-Y218 WeakPolarHBondContact OG-CD2 3.41Å; F196-Y218 HydrophobicContact CD1-CD1 4.39Å; F196-Y218 HydrophobicContact CD1-CD2 4.06Å; F196-Y218 AromaticContact CD1-CG 3.79Å; F196-Y218 HydrophobicContact CD1-CG 3.79Å; F196-Y218 HydrophobicContact CD2-CD2 4.09Å; F196-Y218 HydrophobicContact CD2-CE2 4.3Å; F196-Y218 AromaticContact CE1-CD1 3.5Å; F196-Y218 HydrophobicContact CE1-CD1 3.5Å; F196-Y218 AromaticContact CE1-CD2 3.78Å; F196-Y218 HydrophobicContact CE1-CD2 3.78Å; F196-Y218 HydrophobicContact CE1-CE1 4.08Å; F196-Y218 HydrophobicContact CE1-CE2 4.33Å; F196-Y218 AromaticContact CE1-CG 3.33Å; F196-Y218 HydrophobicContact CE1-CG 3.33Å; F196-Y218 HydrophobicContact CE2-CD1 4.48Å; F196-Y218 AromaticContact CE2-CD2 3.82Å; F196-Y218 HydrophobicContact CE2-CD2 3.82Å; F196-Y218 HydrophobicContact CE2-CE1 4.39Å; F196-Y218 AromaticContact CE2-CE2 3.72Å; F196-Y218 HydrophobicContact CE2-CE2 3.72Å; F196-Y218 HydrophobicContact CE2-CG 4.21Å; F196-Y218 HydrophobicContact CG-CD2 4.19Å; F196-Y218 HydrophobicContact CG-CG 4.39Å; F196-Y218 AromaticContact CZ-CD1 3.55Å; F196-Y218 HydrophobicContact CZ-CD1 3.55Å; F196-Y218 AromaticContact CZ-CD2 3.64Å; F196-Y218 HydrophobicContact CZ-CD2 3.64Å; F196-Y218 AromaticContact CZ-CE1 3.61Å; F196-Y218 HydrophobicContact CZ-CE1 3.61Å; F196-Y218 AromaticContact CZ-CE2 3.72Å; F196-Y218 HydrophobicContact CZ-CE2 3.72Å; F196-Y218 AromaticContact CZ-CG 3.56Å; F196-Y218 HydrophobicContact CZ-CG 3.56Å; F196-Y218 AromaticContact CZ-CZ 3.7Å; G200-Y218 PolarHBondContact N-O 3.02Å; G200-Y218 VanDerWaalsContact N-O 3.1Å; F216-Y218 HydrophobicContact CB-CE2 4.07Å; F216-Y218 HydrophobicContact CD1-CE2 4.3Å
219E90.2Very high91Very high149 Ų14952.2 Ų52.270%0.69627%0.271SS*.SBendtrans-100.1151.3169.1-63.4-171.5164.800109.7A224E219-A224 WeakPolarHBondContact O-CB 3.43Å
220G89.2Confident91.3Very high46 Ų4649.2 Ų49.247%0.47426%0.26SS..SBendtrans96.45.4178.500000114.8S199 K223 A224S199-G220 PolarHBondContact OG-N 3.15Å; G220-K223 WeakPolarHBondContact O-CB 3.41Å; G220-K223 PolarHBondContact O-N 2.96Å; G220-A224 PolarHBondContact O-N 3.35Å
221G91.5Very high91.6Very high9 Ų952.2 Ų52.29%0.09327%0.269CS..Hα-helixtrans60-143170.100000114.2F196 K223 A224 F225F196-G221 CarbonylContact O-C 3.55Å; F196-G221 VanDerWaalsContact O-C 3.24Å; F196-G221 WeakPolarHBondContact O-CA 3.49Å; G221-K223 PolarHBondContact O-N 3.41Å; G221-A224 PolarHBondContact O-N 2.74Å; G221-F225 PolarHBondContact O-N 2.89Å
222I93.8Very high91.7Very high0 Ų051.1 Ų51.10%025%0.25CS..Hα-helixtrans-67.3-18.5-179.767.3168.1000113.6L197 F225 V226 Y242 E253 A255 V322L197-I222 HydrophobicContact CD2-CG2 3.91Å; I222-F225 WeakPolarHBondContact O-CB 3.46Å; I222-F225 PolarHBondContact O-N 2.72Å; I222-V226 PolarHBondContact O-N 3.29Å; I222-Y242 HydrophobicContact CG1-CD2 4.33Å; I222-Y242 HydrophobicContact CG1-CE2 4.07Å; I222-E253 VanDerWaalsContact CD1-C 3.49Å; I222-E253 HydrophobicContact CD1-CB 3.94Å; I222-E253 HydrophobicContact CD1-CG 3.5Å; I222-E253 VanDerWaalsContact CD1-CG 3.5Å; I222-E253 WeakPolarHBondContact CD1-O 3.44Å; I222-E253 HydrophobicContact CG1-CG 3.96Å; I222-A255 HydrophobicContact CB-CB 4.47Å; I222-A255 HydrophobicContact CD1-CB 4.01Å; I222-A255 HydrophobicContact CG1-CB 3.85Å; I222-V322 HydrophobicContact CB-CB 4.19Å; I222-V322 HydrophobicContact CB-CG1 3.82Å; I222-V322 HydrophobicContact CD1-CG1 4.36Å; I222-V322 HydrophobicContact CG2-CG1 3.79Å
223K94.6Very high91.6Very high85 Ų8549.5 Ų49.537%0.3724%0.243SC..Hα-helixtrans-65.8-48.2172.5-177-177.2174.1-178.20110.4G220 G221 F225 V226 E227 I240 Y242G220-K223 WeakPolarHBondContact O-CB 3.41Å; G220-K223 PolarHBondContact O-N 2.96Å; G221-K223 PolarHBondContact O-N 3.41Å; K223-F225 PolarHBondContact O-N 3.01Å; K223-V226 PolarHBondContact O-N 3.1Å; K223-V226 VanDerWaalsContact O-N 3.16Å; K223-E227 PolarHBondContact O-N 2.86Å; K223-E227 VanDerWaalsContact O-N 3.11Å; K223-I240 HydrophobicContact CG-CB 4.28Å; K223-I240 HydrophobicContact CG-CD1 4.22Å; K223-I240 HydrophobicContact CG-CG2 4Å; K223-Y242 HydrophobicContact CB-CD2 4.16Å; K223-Y242 HydrophobicContact CB-CG 4.43Å
224A94Very high91.4Very high13 Ų1349 Ų4911%0.10725%0.246CC..Hα-helixtrans-62.8-29.117300000111.9F196 E219 G220 G221 E227 Y228F196-A224 HydrophobicContact CD1-CB 4.18Å; F196-A224 HydrophobicContact CE1-CB 4.03Å; F196-A224 WeakPolarHBondContact CE1-O 3.44Å; E219-A224 WeakPolarHBondContact O-CB 3.43Å; G220-A224 PolarHBondContact O-N 3.35Å; G221-A224 PolarHBondContact O-N 2.74Å; A224-E227 WeakPolarHBondContact O-CB 3.45Å; A224-E227 PolarHBondContact O-N 2.57Å; A224-Y228 WeakPolarHBondContact O-CB 3.42Å; A224-Y228 PolarHBondContact O-N 3.05Å
225F94.6Very high91.4Very high1 Ų149.4 Ų49.40%0.00425%0.252CS..Hα-helixtrans-65.4-44.2173.7-160.7-177.1000112E193 F196 G221 I222 K223 E227 Y228 L229 F269 V322 I771E193-F225 HydrophobicContact CG-CE1 4.41Å; E193-F225 HydrophobicContact CG-CZ 3.95Å; F196-F225 HydrophobicContact CB-CB 3.76Å; F196-F225 HydrophobicContact CB-CD1 3.85Å; F196-F225 HydrophobicContact CB-CD2 4.41Å; F196-F225 HydrophobicContact CB-CG 3.76Å; F196-F225 HydrophobicContact CD1-CB 3.7Å; F196-F225 HydrophobicContact CD1-CD2 4.47Å; F196-F225 HydrophobicContact CD1-CG 4.21Å; F196-F225 HydrophobicContact CD2-CB 4.11Å; F196-F225 HydrophobicContact CD2-CD1 4.3Å; F196-F225 AromaticContact CD2-CD2 3.43Å; F196-F225 HydrophobicContact CD2-CD2 3.43Å; F196-F225 VanDerWaalsContact CD2-CD2 3.43Å; F196-F225 AromaticContact CD2-CE2 3.91Å; F196-F225 HydrophobicContact CD2-CE2 3.91Å; F196-F225 AromaticContact CD2-CG 3.69Å; F196-F225 HydrophobicContact CD2-CG 3.69Å; F196-F225 HydrophobicContact CE1-CB 4.31Å; F196-F225 AromaticContact CE2-CD2 3.71Å; F196-F225 HydrophobicContact CE2-CD2 3.71Å; F196-F225 HydrophobicContact CE2-CE2 4.19Å; F196-F225 HydrophobicContact CE2-CG 4.33Å; F196-F225 HydrophobicContact CG-CB 3.6Å; F196-F225 HydrophobicContact CG-CD1 4.2Å; F196-F225 AromaticContact CG-CD2 3.87Å; F196-F225 HydrophobicContact CG-CD2 3.87Å; F196-F225 AromaticContact CG-CG 3.63Å; F196-F225 HydrophobicContact CG-CG 3.63Å; F196-F225 HydrophobicContact CZ-CD2 4.35Å; G221-F225 PolarHBondContact O-N 2.89Å; I222-F225 WeakPolarHBondContact O-CB 3.46Å; I222-F225 PolarHBondContact O-N 2.72Å; K223-F225 PolarHBondContact O-N 3.01Å; F225-E227 VanDerWaalsContact C-N 3.31Å; F225-E227 PolarHBondContact O-N 3.1Å; F225-Y228 HydrophobicContact CD2-CD1 4.26Å; F225-Y228 HydrophobicContact CE2-CD1 4.32Å; F225-Y228 WeakPolarHBondContact O-CB 3.08Å; F225-Y228 PolarHBondContact O-N 3.1Å; F225-L229 HydrophobicContact CD2-CD1 3.87Å; F225-L229 HydrophobicContact CD2-CD2 4.41Å; F225-L229 HydrophobicContact CD2-CG 3.82Å; F225-L229 HydrophobicContact CE2-CD1 3.87Å; F225-L229 HydrophobicContact CE2-CD2 3.88Å; F225-L229 HydrophobicContact CE2-CG 3.78Å; F225-L229 HydrophobicContact CG-CD1 4.33Å; F225-L229 HydrophobicContact CZ-CD1 4.35Å; F225-L229 WeakPolarHBondContact O-CB 3.25Å; F225-L229 WeakPolarHBondContact O-CG 3.41Å; F225-L229 PolarHBondContact O-N 2.9Å; F225-F269 AromaticContact CE1-CE2 3.93Å; F225-F269 HydrophobicContact CE1-CE2 3.93Å; F225-F269 AromaticContact CE1-CZ 3.85Å; F225-F269 HydrophobicContact CE1-CZ 3.85Å; F225-V322 HydrophobicContact CB-CG2 4.33Å; F225-V322 HydrophobicContact CD1-CG1 4.2Å; F225-V322 HydrophobicContact CD1-CG2 3.83Å; F225-V322 HydrophobicContact CE1-CG2 4.35Å; F225-V322 HydrophobicContact CG-CG2 4.15Å; F225-I771 HydrophobicContact CE2-CD1 4.45Å; F225-I771 HydrophobicContact CZ-CD1 4.16Å
226V95.2Very high91.3Very high0 Ų047.4 Ų47.40%024%0.243CC..Hα-helixtrans-62-39.6174.2172.10000111.3I222 K223 L229 N230 I240 A255 Q257 I320 V322I222-V226 PolarHBondContact O-N 3.29Å; K223-V226 PolarHBondContact O-N 3.1Å; K223-V226 VanDerWaalsContact O-N 3.16Å; V226-L229 PolarHBondContact O-N 3.48Å; V226-N230 WeakPolarHBondContact O-CB 3.33Å; V226-N230 PolarHBondContact O-N 3.21Å; V226-I240 HydrophobicContact CG1-CD1 4.36Å; V226-I240 HydrophobicContact CG1-CG2 4.31Å; V226-A255 HydrophobicContact CB-CB 4.42Å; V226-A255 HydrophobicContact CG2-CB 3.62Å; V226-Q257 HydrophobicContact CG1-CB 3.78Å; V226-I320 HydrophobicContact CG1-CG2 4.32Å; V226-V322 HydrophobicContact CG2-CB 4.3Å; V226-V322 HydrophobicContact CG2-CG2 3.85Å
227E93.4Very high91.3Very high102 Ų10247.5 Ų47.548%0.47724%0.244SC..Hα-helixtrans-59.2-47.3173.3-68.1173.2-174.300111.4K223 A224 F225 L229 N230 K231 I240K223-E227 PolarHBondContact O-N 2.86Å; K223-E227 VanDerWaalsContact O-N 3.11Å; A224-E227 WeakPolarHBondContact O-CB 3.45Å; A224-E227 PolarHBondContact O-N 2.57Å; F225-E227 VanDerWaalsContact C-N 3.31Å; F225-E227 PolarHBondContact O-N 3.1Å; E227-L229 PolarHBondContact O-N 3.27Å; E227-N230 CarbonylContact O-C 3.52Å; E227-N230 PolarHBondContact O-N 3.09Å; E227-N230 VanDerWaalsContact O-N 3.17Å; E227-K231 PolarHBondContact O-N 2.92Å; E227-I240 HydrophobicContact CB-CD1 4.44Å; E227-I240 HydrophobicContact CG-CD1 3.2Å
228Y91.8Very high91.2Very high35 Ų3548 Ų4814%0.13726%0.255CS..Hα-helixtrans-61.6-42.3177.1174.9-99.1000112.5R192 F196 A224 F225 N230 K231 I771 Q775R192-Y228 VanDerWaalsContact CD-CZ 3.48Å; R192-Y228 WeakPolarHBondContact CD-OH 3.47Å; R192-Y228 PolarHBondContact NE-OH 2.92Å; R192-Y228 PolarHBondContact NH1-OH 2.96Å; F196-Y228 AromaticContact CE2-CD1 3.83Å; F196-Y228 HydrophobicContact CE2-CD1 3.83Å; F196-Y228 HydrophobicContact CE2-CE1 4.43Å; F196-Y228 AromaticContact CE2-CG 3.9Å; F196-Y228 HydrophobicContact CE2-CG 3.9Å; F196-Y228 VanDerWaalsContact CZ-CB 3.46Å; F196-Y228 HydrophobicContact CZ-CD1 4.04Å; F196-Y228 HydrophobicContact CZ-CD2 4.16Å; F196-Y228 AromaticContact CZ-CG 3.62Å; F196-Y228 HydrophobicContact CZ-CG 3.62Å; A224-Y228 WeakPolarHBondContact O-CB 3.42Å; A224-Y228 PolarHBondContact O-N 3.05Å; F225-Y228 HydrophobicContact CD2-CD1 4.26Å; F225-Y228 HydrophobicContact CE2-CD1 4.32Å; F225-Y228 WeakPolarHBondContact O-CB 3.08Å; F225-Y228 PolarHBondContact O-N 3.1Å; Y228-N230 VanDerWaalsContact C-N 3.27Å; Y228-N230 PolarHBondContact O-N 3.5Å; Y228-K231 VanDerWaalsContact O-CB 3.25Å; Y228-K231 WeakPolarHBondContact O-CB 3.3Å; Y228-K231 PolarHBondContact O-N 3.23Å; Y228-I771 HydrophobicContact CE1-CG2 4.25Å; Y228-Q775 PolarHBondContact O-NE2 2.88Å; Y228-Q775 PolarHBondContact OH-NE2 3.19Å; Y228-Q775 PolarHBondContact OH-OE1 3.01Å
229L91.1Very high91.3Very high5 Ų548.7 Ų48.73%0.02626%0.262CS..Hα-helixtrans-67.4-27.5176.7-68.9168.4000112.4F225 V226 E227 Y267 I320 V322 I771F225-L229 HydrophobicContact CD2-CD1 3.87Å; F225-L229 HydrophobicContact CD2-CD2 4.41Å; F225-L229 HydrophobicContact CD2-CG 3.82Å; F225-L229 HydrophobicContact CE2-CD1 3.87Å; F225-L229 HydrophobicContact CE2-CD2 3.88Å; F225-L229 HydrophobicContact CE2-CG 3.78Å; F225-L229 HydrophobicContact CG-CD1 4.33Å; F225-L229 HydrophobicContact CZ-CD1 4.35Å; F225-L229 WeakPolarHBondContact O-CB 3.25Å; F225-L229 WeakPolarHBondContact O-CG 3.41Å; F225-L229 PolarHBondContact O-N 2.9Å; V226-L229 PolarHBondContact O-N 3.48Å; E227-L229 PolarHBondContact O-N 3.27Å; L229-Y267 HydrophobicContact CD1-CD2 3.59Å; L229-Y267 HydrophobicContact CD1-CE2 3.51Å; L229-Y267 HydrophobicContact CD2-CE2 3.82Å; L229-Y267 HydrophobicContact CG-CE2 4.26Å; L229-I320 HydrophobicContact CB-CD1 4.03Å; L229-I320 HydrophobicContact CB-CG2 3.75Å; L229-I320 HydrophobicContact CD1-CG2 3.83Å; L229-I320 HydrophobicContact CG-CG2 4.45Å; L229-I320 WeakPolarHBondContact O-CD1 3.5Å; L229-V322 HydrophobicContact CD1-CG2 3.95Å; L229-I771 HydrophobicContact CD2-CD1 4.39Å; L229-I771 HydrophobicContact CD2-CG1 4.29Å; L229-I771 HydrophobicContact CD2-CG2 3.87Å
230N89.9Confident91.6Very high5 Ų542.5 Ų42.53%0.02723%0.234CC..Hα-helixtrans-87.9-3.5174.3-87.4-40.9000114.1V226 E227 Y228 N232 K233 P235 Q257 N259 I320V226-N230 WeakPolarHBondContact O-CB 3.33Å; V226-N230 PolarHBondContact O-N 3.21Å; E227-N230 CarbonylContact O-C 3.52Å; E227-N230 PolarHBondContact O-N 3.09Å; E227-N230 VanDerWaalsContact O-N 3.17Å; Y228-N230 VanDerWaalsContact C-N 3.27Å; Y228-N230 PolarHBondContact O-N 3.5Å; N230-N232 PolarHBondContact O-N 2.99Å; N230-K233 PolarHBondContact O-N 3.42Å; N230-P235 HydrophobicContact CB-CG 4.46Å; N230-Q257 PolarHBondContact ND2-OE1 2.92Å; N230-N259 PolarHBondContact OD1-ND2 3.19Å; N230-I320 WeakPolarHBondContact OD1-CD1 2.9Å
231K86.3Confident91.9Very high156 Ų15640.6 Ų40.668%0.67821%0.212SC*.THydrogen-bonded Turntrans-49.5-35.9-172.5-175.5178.7178.1-177.60114.9E227 Y228E227-K231 PolarHBondContact O-N 2.92Å; Y228-K231 VanDerWaalsContact O-CB 3.25Å; Y228-K231 WeakPolarHBondContact O-CB 3.3Å; Y228-K231 PolarHBondContact O-N 3.23Å
232N81.8Confident92.2Very high30 Ų3045 Ų4516%0.1623%0.227CC..THydrogen-bonded Turntrans-104.17.5-178.7-60.8-22.8000113.5N230 Q775 T778 T779N230-N232 PolarHBondContact O-N 2.99Å; N232-Q775 PolarHBondContact ND2-O 3.46Å; N232-T778 HydrophobicContact CB-CG2 3.67Å; N232-T778 WeakPolarHBondContact O-CG2 3.39Å; N232-T779 PolarHBondContact ND2-OG1 3.5Å
233K84.5Confident92.3Very high32 Ų3245.7 Ų45.714%0.13923%0.23CC..SBendtrans-116162.2179.9-63174.6-174.6171.80108.7N230 P235 N259 N265 I320 D774 T778N230-K233 PolarHBondContact O-N 3.42Å; K233-P235 VanDerWaalsContact O-CD 3.28Å; K233-P235 WeakPolarHBondContact O-CD 3.32Å; K233-N259 HydrophobicContact CB-CB 3.92Å; K233-N259 WeakPolarHBondContact CD-ND2 3.46Å; K233-N265 PolarHBondContact NZ-ND2 3.01Å; K233-I320 HydrophobicContact CD-CD1 3.95Å; K233-D774 IonicContact NZ-OD1 3.51Å; K233-D774 PolarHBondContact NZ-OD1 3.05Å; K233-D774 IonicContact NZ-OD2 2.77Å; K233-D774 PolarHBondContact NZ-OD2 3.33Å; K233-T778 HydrophobicContact CG-CG2 4.04Å
234T89.1Confident92.3Very high84 Ų8445.3 Ų45.352%0.51524%0.238SC..  trans-100108178.3-39.20000109.4I236 N259 D260T234-I236 PolarHBondContact O-N 3.48Å; T234-N259 CarbonylContact O-C 3.49Å; T234-N259 WeakPolarHBondContact O-CA 3.29Å; T234-N259 VanDerWaalsContact O-CB 3.29Å; T234-N259 WeakPolarHBondContact O-CB 3.34Å; T234-D260 VanDerWaalsContact CB-CG 3.42Å; T234-D260 WeakPolarHBondContact CB-OD2 3.44Å; T234-D260 PolarHBondContact N-OD1 2.86Å; T234-D260 PolarHBondContact O-N 2.88Å; T234-D260 PolarHBondContact OG1-OD2 3.13Å
235P93.5Very high92.4Very high55 Ų5546.6 Ų46.636%0.35725%0.245SC..BIsolated β-bridgetrans-57134.2170.4-24.234.9000110.9N230 K233 Q257N230-P235 HydrophobicContact CB-CG 4.46Å; K233-P235 VanDerWaalsContact O-CD 3.28Å; K233-P235 WeakPolarHBondContact O-CD 3.32Å; P235-Q257 HydrophobicContact CB-CG 4.37Å
236I94.3Very high92.2Very high44 Ų4453.2 Ų53.223%0.22628%0.276CS..SBendtrans-84.6-18.4178.766.7-175.9000112.1T234 W258 D260 I370 K374T234-I236 PolarHBondContact O-N 3.48Å; I236-W258 HydrophobicContact CD1-CB 3.56Å; I236-W258 HydrophobicContact CD1-CG 4.44Å; I236-W258 HydrophobicContact CG1-CB 3.92Å; I236-W258 PolarHBondContact N-O 3.2Å; I236-W258 VanDerWaalsContact N-O 3.12Å; I236-D260 HydrophobicContact CG2-CB 4.21Å; I236-I370 HydrophobicContact CB-CG2 3.89Å; I236-I370 HydrophobicContact CD1-CG2 3.95Å; I236-I370 HydrophobicContact CG1-CG2 3.79Å; I236-I370 WeakPolarHBondContact O-CG2 3.48Å; I236-K374 HydrophobicContact CD1-CB 4.03Å; I236-K374 HydrophobicContact CD1-CD 3.5Å; I236-K374 VanDerWaalsContact CD1-CD 3.5Å; I236-K374 HydrophobicContact CD1-CG 4.38Å
237H94Very high92Very high4 Ų456.1 Ų56.12%0.01929%0.288CS..SBendtrans-138.4148.3-179.469.679.2000109.7N239 Q257 W258 D367H237-N239 PolarHBondContact CE1-O 2.86Å; H237-N239 PolarHBondContact ND1-O 2.86Å; H237-N239 VanDerWaalsContact ND1-O 3.11Å; H237-Q257 PolarHBondContact O-NE2 3.11Å; H237-W258 AromaticContact NE2-CE3 3.6Å; H237-W258 PolarHBondContact NE2-N 2.86Å; H237-D367 HydrophobicContact CB-CB 4.07Å; H237-D367 IonicContact ND1-OD2 3.3Å
238P91.5Very high91.7Very high95 Ų9557.3 Ų57.362%0.61730%0.298SS*.SBendtrans-77.4-33.8-170.328.8-34.3000113.7
239N93.5Very high91.5Very high72 Ų7257.3 Ų57.339%0.38531%0.309SS..  trans-95.9112.6-168.8-52.1-63.3000111.7H237 F241 Y360 D367H237-N239 PolarHBondContact CE1-O 2.86Å; H237-N239 PolarHBondContact ND1-O 2.86Å; H237-N239 VanDerWaalsContact ND1-O 3.11Å; N239-F241 PolarHBondContact O-N 2.86Å; N239-Y360 PolarHBondContact O-OH 3.46Å; N239-D367 WeakPolarHBondContact CB-OD2 3.18Å; N239-D367 PolarHBondContact N-OD2 2.91Å; N239-D367 PolarHBondContact ND2-OD2 3.32Å
240I95.6Very high91.5Very high19 Ų1957.6 Ų57.610%0.09731%0.31CS..  trans-63.2125.1170.3-60.9177.3000109.2K223 V226 E227 Y242 A255 Q257K223-I240 HydrophobicContact CG-CB 4.28Å; K223-I240 HydrophobicContact CG-CD1 4.22Å; K223-I240 HydrophobicContact CG-CG2 4Å; V226-I240 HydrophobicContact CG1-CD1 4.36Å; V226-I240 HydrophobicContact CG1-CG2 4.31Å; E227-I240 HydrophobicContact CB-CD1 4.44Å; E227-I240 HydrophobicContact CG-CD1 3.2Å; I240-Y242 PolarHBondContact O-N 3.37Å; I240-A255 HydrophobicContact CG2-CB 4.42Å; I240-Q257 HydrophobicContact CG1-CB 4.15Å; I240-Q257 HydrophobicContact CG1-CG 4.25Å
241F96.8Very high91.7Very high6 Ų658.2 Ų58.23%0.02632%0.318CS..EExtended strand (participates in β ladder)trans-71.3123.8170.3171.2-95.6000108.5N239 F243 A255 L256 M353 L356 L357 Y360N239-F241 PolarHBondContact O-N 2.86Å; F241-F243 HydrophobicContact CD1-CD1 4.5Å; F241-F243 AromaticContact CE1-CD1 3.42Å; F241-F243 HydrophobicContact CE1-CD1 3.42Å; F241-F243 VanDerWaalsContact CE1-CD1 3.42Å; F241-F243 AromaticContact CE1-CE1 3.57Å; F241-F243 HydrophobicContact CE1-CE1 3.57Å; F241-F243 HydrophobicContact CE2-CD1 4.43Å; F241-F243 AromaticContact CZ-CD1 3.4Å; F241-F243 HydrophobicContact CZ-CD1 3.4Å; F241-F243 AromaticContact CZ-CE1 3.72Å; F241-F243 HydrophobicContact CZ-CE1 3.72Å; F241-A255 CarbonylContact O-C 3.42Å; F241-A255 VanDerWaalsContact O-CA 3.28Å; F241-A255 WeakPolarHBondContact O-CA 3.38Å; F241-L256 HydrophobicContact CB-CD1 3.97Å; F241-L256 HydrophobicContact CB-CG 3.98Å; F241-L256 HydrophobicContact CD1-CD1 4.3Å; F241-L256 HydrophobicContact CD1-CD2 3.54Å; F241-L256 HydrophobicContact CD1-CG 3.65Å; F241-L256 HydrophobicContact CE1-CD2 4.08Å; F241-L256 HydrophobicContact CG-CD1 4.46Å; F241-L256 HydrophobicContact CG-CD2 4.43Å; F241-L256 HydrophobicContact CG-CG 4.21Å; F241-L256 PolarHBondContact N-O 3.19Å; F241-L256 PolarHBondContact O-N 2.96Å; F241-M353 HydrophobicContact CD1-CE 4.05Å; F241-M353 HydrophobicContact CE1-CE 3.16Å; F241-M353 HydrophobicContact CE1-SD 4.18Å; F241-M353 HydrophobicContact CZ-CE 3.54Å; F241-L356 WeakPolarHBondContact CE2-O 3.13Å; F241-L356 HydrophobicContact CZ-CB 4.31Å; F241-L357 HydrophobicContact CD2-CD1 4.17Å; F241-L357 HydrophobicContact CE1-CD1 4.49Å; F241-L357 HydrophobicContact CE2-CB 4.37Å; F241-L357 HydrophobicContact CE2-CD1 4.08Å; F241-L357 HydrophobicContact CG-CD1 4.38Å; F241-L357 HydrophobicContact CZ-CB 4.1Å; F241-L357 HydrophobicContact CZ-CD1 4.21Å; F241-Y360 HydrophobicContact CB-CD1 4.42Å; F241-Y360 HydrophobicContact CB-CD2 4.39Å; F241-Y360 HydrophobicContact CB-CE1 4.23Å; F241-Y360 HydrophobicContact CB-CE2 4.18Å; F241-Y360 VanDerWaalsContact CD2-CB 3.48Å; F241-Y360 AromaticContact CD2-CD1 3.75Å; F241-Y360 HydrophobicContact CD2-CD1 3.75Å; F241-Y360 AromaticContact CD2-CD2 3.67Å; F241-Y360 HydrophobicContact CD2-CD2 3.67Å; F241-Y360 HydrophobicContact CD2-CE1 4.38Å; F241-Y360 HydrophobicContact CD2-CE2 4.3Å; F241-Y360 AromaticContact CD2-CG 3.36Å; F241-Y360 HydrophobicContact CD2-CG 3.36Å; F241-Y360 HydrophobicContact CE2-CD1 4.49Å; F241-Y360 AromaticContact CE2-CG 3.98Å; F241-Y360 HydrophobicContact CE2-CG 3.98Å; F241-Y360 HydrophobicContact CG-CD1 4.45Å; F241-Y360 HydrophobicContact CG-CG 4.36Å
242Y96.7Very high92.1Very high102 Ų10250.9 Ų50.940%0.429%0.286SS..EExtended strand (participates in β ladder)trans-143.7137.7-178166.9-99.1000110.5I222 K223 I240 E253 V254 A255I222-Y242 HydrophobicContact CG1-CD2 4.33Å; I222-Y242 HydrophobicContact CG1-CE2 4.07Å; K223-Y242 HydrophobicContact CB-CD2 4.16Å; K223-Y242 HydrophobicContact CB-CG 4.43Å; I240-Y242 PolarHBondContact O-N 3.37Å; Y242-E253 HydrophobicContact CE2-CG 3.96Å; Y242-E253 PolarHBondContact OH-OE1 3.05Å; Y242-V254 VanDerWaalsContact CA-O 3.3Å; Y242-V254 WeakPolarHBondContact CA-O 3.46Å; Y242-A255 HydrophobicContact CD2-CB 4.18Å
243F96.3Very high92.8Very high14 Ų1451 Ų516%0.06129%0.286CS..EExtended strand (participates in β ladder)trans-147.3156.616470.1-95.7000111.8F241 T245 V252 E253 V254 Q352 M353 L356F241-F243 HydrophobicContact CD1-CD1 4.5Å; F241-F243 AromaticContact CE1-CD1 3.42Å; F241-F243 HydrophobicContact CE1-CD1 3.42Å; F241-F243 VanDerWaalsContact CE1-CD1 3.42Å; F241-F243 AromaticContact CE1-CE1 3.57Å; F241-F243 HydrophobicContact CE1-CE1 3.57Å; F241-F243 HydrophobicContact CE2-CD1 4.43Å; F241-F243 AromaticContact CZ-CD1 3.4Å; F241-F243 HydrophobicContact CZ-CD1 3.4Å; F241-F243 AromaticContact CZ-CE1 3.72Å; F241-F243 HydrophobicContact CZ-CE1 3.72Å; F243-T245 HydrophobicContact CD2-CG2 3.72Å; F243-T245 HydrophobicContact CE2-CG2 3.73Å; F243-V252 HydrophobicContact CE2-CB 4.38Å; F243-V252 HydrophobicContact CE2-CG1 3.8Å; F243-V252 HydrophobicContact CZ-CG1 4.18Å; F243-E253 WeakPolarHBondContact O-CA 3.32Å; F243-V254 HydrophobicContact CD1-CB 4.15Å; F243-V254 HydrophobicContact CE1-CB 3.61Å; F243-V254 HydrophobicContact CE1-CG1 4.23Å; F243-V254 HydrophobicContact CE1-CG2 4Å; F243-V254 HydrophobicContact CE2-CB 4.38Å; F243-V254 HydrophobicContact CE2-CG2 4.23Å; F243-V254 HydrophobicContact CZ-CB 3.73Å; F243-V254 HydrophobicContact CZ-CG2 3.61Å; F243-V254 PolarHBondContact N-O 2.92Å; F243-V254 PolarHBondContact O-N 3.47Å; F243-Q352 HydrophobicContact CE2-CB 4.07Å; F243-Q352 HydrophobicContact CZ-CB 4.34Å; F243-M353 HydrophobicContact CE1-CE 4.19Å; F243-M353 HydrophobicContact CE1-SD 3.81Å; F243-M353 HydrophobicContact CZ-SD 4.25Å; F243-L356 HydrophobicContact CB-CD1 3.75Å; F243-L356 HydrophobicContact CD1-CB 4.16Å; F243-L356 HydrophobicContact CD1-CD1 3.99Å; F243-L356 HydrophobicContact CD2-CD1 3.39Å; F243-L356 HydrophobicContact CE1-CD1 4.41Å; F243-L356 HydrophobicContact CE2-CD1 3.9Å; F243-L356 HydrophobicContact CG-CB 4.37Å; F243-L356 HydrophobicContact CG-CD1 3.44Å; F243-L356 VanDerWaalsContact CG-CD1 3.44Å; F243-L356 HydrophobicContact CZ-CD1 4.38Å
244S95Very high93.4Very high77 Ų7749.5 Ų49.554%0.53828%0.279SS..EExtended strand (participates in β ladder)trans-137.3122.6170-171.20000108.3V252S244-V252 WeakPolarHBondContact CA-O 3.25Å
245T94.6Very high93.9Very high40 Ų4045.5 Ų45.525%0.24526%0.255CS..EExtended strand (participates in β ladder)trans-148.1164-173-175.20000110.1F243 G251 V252 Q352 L356F243-T245 HydrophobicContact CD2-CG2 3.72Å; F243-T245 HydrophobicContact CE2-CG2 3.73Å; T245-G251 CarbonylContact O-C 3.59Å; T245-G251 WeakPolarHBondContact O-CA 3.41Å; T245-V252 HydrophobicContact CG2-CB 4.13Å; T245-V252 PolarHBondContact N-O 2.93Å; T245-V252 PolarHBondContact O-N 3.38Å; T245-Q352 HydrophobicContact CG2-CB 3.87Å; T245-Q352 HydrophobicContact CG2-CG 3.6Å; T245-Q352 PolarHBondContact OG1-OE1 2.83Å; T245-L356 HydrophobicContact CG2-CD1 4.29Å
246E92.2Very high94Very high141 Ų14142.9 Ų42.966%0.65924%0.238SC*.EExtended strand (participates in β ladder)trans-121.4129.9173.6-170.2-177151.600109.2G249 I250E246-G249 WeakPolarHBondContact OE1-CA 3.36Å; E246-I250 WeakPolarHBondContact CA-O 3.49Å
247K90.1Very high94.2Very high61 Ų6141.3 Ų41.327%0.26523%0.229SC..EExtended strand (participates in β ladder)trans-132.5121177.6-178.461.2179.2175.90109.8G249 I250 A348 Q352K247-G249 PolarHBondContact O-N 3.01Å; K247-I250 PolarHBondContact N-O 3.13Å; K247-I250 WeakPolarHBondContact O-CB 3.13Å; K247-I250 PolarHBondContact O-N 2.82Å; K247-A348 HydrophobicContact CB-CB 4.24Å; K247-A348 HydrophobicContact CG-CB 4.18Å; K247-Q352 HydrophobicContact CB-CG 3.98Å; K247-Q352 HydrophobicContact CG-CG 4.45Å
248D87.6Confident94.3Very high126 Ų12641.2 Ų41.267%0.67423%0.229SC*.THydrogen-bonded Turntrans54.538.3177.5-50-32.8000112.9I250D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 PolarHBondContact O-N 3.49Å
249G87.5Confident94.4Very high36 Ų3636.8 Ų36.837%0.37120%0.2SC..THydrogen-bonded Turntrans78.82.6-176.900000114.9E246 K247E246-G249 WeakPolarHBondContact OE1-CA 3.36Å; K247-G249 PolarHBondContact O-N 3.01Å
250I91.5Very high94.2Very high10 Ų1036.9 Ų36.95%0.05120%0.201CC..EExtended strand (participates in β ladder)trans-103.3117.2177.9-59.4165.9000108.6E246 K247 D248 V252 K326 V327 E344 V345 A348E246-I250 WeakPolarHBondContact CA-O 3.49Å; K247-I250 PolarHBondContact N-O 3.13Å; K247-I250 WeakPolarHBondContact O-CB 3.13Å; K247-I250 PolarHBondContact O-N 2.82Å; D248-I250 VanDerWaalsContact C-N 3.26Å; D248-I250 PolarHBondContact O-N 3.49Å; I250-V252 HydrophobicContact CG2-CG2 4.16Å; I250-K326 WeakPolarHBondContact CA-O 3.46Å; I250-V327 HydrophobicContact CG2-CG2 4.03Å; I250-E344 HydrophobicContact CD1-CB 4.34Å; I250-E344 HydrophobicContact CD1-CG 4.02Å; I250-V345 HydrophobicContact CD1-CG2 4.13Å; I250-A348 HydrophobicContact CB-CB 4.42Å; I250-A348 HydrophobicContact CD1-CB 4.1Å
251G92.8Very high93.7Very high19 Ų1937 Ų3720%0.19621%0.206CC..EExtended strand (participates in β ladder)trans-71.8129.5169.200000110.1T245 V325 K326T245-G251 CarbonylContact O-C 3.59Å; T245-G251 WeakPolarHBondContact O-CA 3.41Å; G251-V325 CarbonylContact O-C 3.6Å; G251-V325 VanDerWaalsContact O-CA 3.24Å; G251-V325 WeakPolarHBondContact O-CA 3.39Å; G251-K326 PolarHBondContact N-O 2.89Å; G251-K326 PolarHBondContact O-N 3.22Å
252V95.8Very high92.9Very high1 Ų140.3 Ų40.31%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-124.3117.3177-176.30000108.5F243 S244 T245 I250 V254 A348 V349F243-V252 HydrophobicContact CE2-CB 4.38Å; F243-V252 HydrophobicContact CE2-CG1 3.8Å; F243-V252 HydrophobicContact CZ-CG1 4.18Å; S244-V252 WeakPolarHBondContact CA-O 3.25Å; T245-V252 HydrophobicContact CG2-CB 4.13Å; T245-V252 PolarHBondContact N-O 2.93Å; T245-V252 PolarHBondContact O-N 3.38Å; I250-V252 HydrophobicContact CG2-CG2 4.16Å; V252-V254 HydrophobicContact CG1-CG2 4.14Å; V252-A348 HydrophobicContact CG2-CB 4.46Å; V252-V349 HydrophobicContact CG1-CG2 4.03Å; V252-V349 HydrophobicContact CG2-CG2 4.13Å
253E96.3Very high92.2Very high34 Ų3438.1 Ų38.116%0.15921%0.214CC..EExtended strand (participates in β ladder)trans-124.7123.3178.1-159.5-169.1176.300108.7I222 Y242 F243 S324I222-E253 VanDerWaalsContact CD1-C 3.49Å; I222-E253 HydrophobicContact CD1-CB 3.94Å; I222-E253 HydrophobicContact CD1-CG 3.5Å; I222-E253 VanDerWaalsContact CD1-CG 3.5Å; I222-E253 WeakPolarHBondContact CD1-O 3.44Å; I222-E253 HydrophobicContact CG1-CG 3.96Å; Y242-E253 HydrophobicContact CE2-CG 3.96Å; Y242-E253 PolarHBondContact OH-OE1 3.05Å; F243-E253 WeakPolarHBondContact O-CA 3.32Å; E253-S324 PolarHBondContact N-O 2.92Å; E253-S324 PolarHBondContact O-N 3.41Å; E253-S324 VanDerWaalsContact O-O 3.1Å
254V97.7Very high91.8Very high0 Ų039 Ų390%022%0.218CC..EExtended strand (participates in β ladder)trans-134.2132-177.8177.50000109.7Y242 F243 V252 L256 F285 V322 V323 M353Y242-V254 VanDerWaalsContact CA-O 3.3Å; Y242-V254 WeakPolarHBondContact CA-O 3.46Å; F243-V254 HydrophobicContact CD1-CB 4.15Å; F243-V254 HydrophobicContact CE1-CB 3.61Å; F243-V254 HydrophobicContact CE1-CG1 4.23Å; F243-V254 HydrophobicContact CE1-CG2 4Å; F243-V254 HydrophobicContact CE2-CB 4.38Å; F243-V254 HydrophobicContact CE2-CG2 4.23Å; F243-V254 HydrophobicContact CZ-CB 3.73Å; F243-V254 HydrophobicContact CZ-CG2 3.61Å; F243-V254 PolarHBondContact N-O 2.92Å; F243-V254 PolarHBondContact O-N 3.47Å; V252-V254 HydrophobicContact CG1-CG2 4.14Å; V254-L256 HydrophobicContact CG1-CD2 4.23Å; V254-F285 HydrophobicContact CG1-CD2 4.15Å; V254-F285 HydrophobicContact CG1-CE2 3.72Å; V254-V322 WeakPolarHBondContact CA-O 3.33Å; V254-V323 HydrophobicContact CG2-CG1 4.22Å; V254-V323 HydrophobicContact CG2-CG2 4.48Å; V254-M353 HydrophobicContact CG1-SD 4.05Å
255A97.7Very high91.6Very high0 Ų036.5 Ų36.50%020%0.199CC..EExtended strand (participates in β ladder)trans-125.1139.6166.800000109.7I222 V226 I240 F241 Y242 A321 V322I222-A255 HydrophobicContact CB-CB 4.47Å; I222-A255 HydrophobicContact CD1-CB 4.01Å; I222-A255 HydrophobicContact CG1-CB 3.85Å; V226-A255 HydrophobicContact CB-CB 4.42Å; V226-A255 HydrophobicContact CG2-CB 3.62Å; I240-A255 HydrophobicContact CG2-CB 4.42Å; F241-A255 CarbonylContact O-C 3.42Å; F241-A255 VanDerWaalsContact O-CA 3.28Å; F241-A255 WeakPolarHBondContact O-CA 3.38Å; Y242-A255 HydrophobicContact CD2-CB 4.18Å; A255-A321 CarbonylContact O-C 3.52Å; A255-A321 VanDerWaalsContact O-CA 3.27Å; A255-A321 WeakPolarHBondContact O-CA 3.43Å; A255-V322 PolarHBondContact N-O 2.92Å; A255-V322 PolarHBondContact O-N 2.89Å
256L97.4Very high91.6Very high0 Ų036 Ų360%020%0.195CC..EExtended strand (participates in β ladder)trans-153.6153.6174.767.392.2000113.5F241 V254 W258 F285 M289 L319 I320 A321 M353F241-L256 HydrophobicContact CB-CD1 3.97Å; F241-L256 HydrophobicContact CB-CG 3.98Å; F241-L256 HydrophobicContact CD1-CD1 4.3Å; F241-L256 HydrophobicContact CD1-CD2 3.54Å; F241-L256 HydrophobicContact CD1-CG 3.65Å; F241-L256 HydrophobicContact CE1-CD2 4.08Å; F241-L256 HydrophobicContact CG-CD1 4.46Å; F241-L256 HydrophobicContact CG-CD2 4.43Å; F241-L256 HydrophobicContact CG-CG 4.21Å; F241-L256 PolarHBondContact N-O 3.19Å; F241-L256 PolarHBondContact O-N 2.96Å; V254-L256 HydrophobicContact CG1-CD2 4.23Å; L256-W258 HydrophobicContact CD1-CE3 3.85Å; L256-W258 HydrophobicContact CD1-CH2 3.64Å; L256-W258 HydrophobicContact CD1-CZ3 3.24Å; L256-F285 HydrophobicContact CD2-CE2 3.81Å; L256-F285 HydrophobicContact CD2-CZ 3.96Å; L256-M289 HydrophobicContact CD1-CE 4.49Å; L256-M289 HydrophobicContact CD2-CE 3.58Å; L256-L319 HydrophobicContact CB-CD1 3.98Å; L256-L319 HydrophobicContact CD1-CD1 3.89Å; L256-L319 HydrophobicContact CG-CD1 4.41Å; L256-I320 CarbonylContact C-O 3.56Å; L256-I320 WeakPolarHBondContact CA-O 3.31Å; L256-I320 WeakPolarHBondContact CB-O 3.43Å; L256-A321 HydrophobicContact CB-CB 3.65Å; L256-M353 HydrophobicContact CD2-CE 4.03Å
257Q97Very high91.7Very high10 Ų1031.2 Ų31.25%0.04717%0.171CC..EExtended strand (participates in β ladder)trans-153.3144175.3-171.7176.139.200110.3V226 N230 P235 H237 I240 I320V226-Q257 HydrophobicContact CG1-CB 3.78Å; N230-Q257 PolarHBondContact ND2-OE1 2.92Å; P235-Q257 HydrophobicContact CB-CG 4.37Å; H237-Q257 PolarHBondContact O-NE2 3.11Å; I240-Q257 HydrophobicContact CG1-CB 4.15Å; I240-Q257 HydrophobicContact CG1-CG 4.25Å; Q257-I320 PolarHBondContact N-O 2.76Å; Q257-I320 PolarHBondContact O-N 2.9Å
258W96.6Very high92Very high2 Ų228.6 Ų28.61%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-92.2141.5173.7-75.6-95.3000110.2I236 H237 L256 M289 L293 A315 G318 L319 V371I236-W258 HydrophobicContact CD1-CB 3.56Å; I236-W258 HydrophobicContact CD1-CG 4.44Å; I236-W258 HydrophobicContact CG1-CB 3.92Å; I236-W258 PolarHBondContact N-O 3.2Å; I236-W258 VanDerWaalsContact N-O 3.12Å; H237-W258 AromaticContact NE2-CE3 3.6Å; H237-W258 PolarHBondContact NE2-N 2.86Å; L256-W258 HydrophobicContact CD1-CE3 3.85Å; L256-W258 HydrophobicContact CD1-CH2 3.64Å; L256-W258 HydrophobicContact CD1-CZ3 3.24Å; W258-M289 HydrophobicContact CH2-CE 4.45Å; W258-M289 HydrophobicContact CZ2-CE 4.46Å; W258-M289 HydrophobicContact CZ2-SD 4.32Å; W258-L293 HydrophobicContact CH2-CD1 4.23Å; W258-L293 HydrophobicContact CZ2-CD1 3.91Å; W258-A315 PolarHBondContact NE1-O 3.19Å; W258-G318 WeakPolarHBondContact CA-O 3.47Å; W258-L319 HydrophobicContact CD2-CD1 3.99Å; W258-L319 HydrophobicContact CE3-CD1 4.39Å; W258-L319 HydrophobicContact CG-CD1 4.44Å; W258-L319 HydrophobicContact CH2-CD1 4.36Å; W258-L319 HydrophobicContact CZ2-CD1 3.95Å; W258-V371 HydrophobicContact CD2-CG1 3.79Å; W258-V371 HydrophobicContact CD2-CG2 3.98Å; W258-V371 HydrophobicContact CE3-CB 4.4Å; W258-V371 HydrophobicContact CE3-CG1 3.85Å; W258-V371 HydrophobicContact CE3-CG2 3.57Å; W258-V371 HydrophobicContact CG-CG1 4.45Å; W258-V371 HydrophobicContact CG-CG2 4.43Å; W258-V371 HydrophobicContact CH2-CG1 3.97Å; W258-V371 HydrophobicContact CZ2-CG1 3.88Å; W258-V371 HydrophobicContact CZ3-CG1 3.94Å; W258-V371 HydrophobicContact CZ3-CG2 4.07Å
259N93.7Very high92.3Very high3 Ų322.7 Ų22.72%0.01613%0.129CC..BIsolated β-bridgetrans-117.9176.1170.658.962.7000111.5N230 K233 T234 G261 G318 K374N230-N259 PolarHBondContact OD1-ND2 3.19Å; K233-N259 HydrophobicContact CB-CB 3.92Å; K233-N259 WeakPolarHBondContact CD-ND2 3.46Å; T234-N259 CarbonylContact O-C 3.49Å; T234-N259 WeakPolarHBondContact O-CA 3.29Å; T234-N259 VanDerWaalsContact O-CB 3.29Å; T234-N259 WeakPolarHBondContact O-CB 3.34Å; N259-G261 PolarHBondContact O-N 2.8Å; N259-G261 WeakPolarHBondContact OD1-CA 3.42Å; N259-G261 PolarHBondContact OD1-N 3.13Å; N259-G318 VanDerWaalsContact CG-O 3.29Å; N259-G318 PolarHBondContact N-O 3.28Å; N259-G318 PolarHBondContact ND2-O 3.33Å; N259-G318 PolarHBondContact OD1-O 3.5Å; N259-K374 WeakPolarHBondContact O-CE 3.3Å; N259-K374 PolarHBondContact O-NZ 3.36Å
260D88.7Confident92.5Very high74 Ų7421 Ų2140%0.39611%0.111SC..SBendtrans-71.6-14.5179.861.5-13.3000113.9T234 I236 K374T234-D260 VanDerWaalsContact CB-CG 3.42Å; T234-D260 WeakPolarHBondContact CB-OD2 3.44Å; T234-D260 PolarHBondContact N-OD1 2.86Å; T234-D260 PolarHBondContact O-N 2.88Å; T234-D260 PolarHBondContact OG1-OD2 3.13Å; I236-D260 HydrophobicContact CG2-CB 4.21Å; D260-K374 PolarHBondContact O-NZ 3.25Å
261G85.3Confident92.4Very high21 Ų2120.7 Ų20.722%0.21611%0.11CC..SBendtrans-68.2176.1177.200000114.5N259 G318 K374N259-G261 PolarHBondContact O-N 2.8Å; N259-G261 WeakPolarHBondContact OD1-CA 3.42Å; N259-G261 PolarHBondContact OD1-N 3.13Å; G261-G318 WeakPolarHBondContact O-CA 3.5Å; G261-K374 PolarHBondContact O-NZ 2.84Å
262F81.2Confident92.2Very high75 Ų7520 Ų2033%0.32910%0.101SC..SBendtrans-110.7-9.5-174-51.8-72.8000113.7E317 R457F262-E317 HydrophobicContact CB-CG 4.35Å; F262-E317 HydrophobicContact CD1-CG 4.44Å; F262-R457 HydrophobicContact CE1-CG 3.84Å; F262-R457 HydrophobicContact CE2-CG 4.13Å; F262-R457 HydrophobicContact CZ-CB 4.4Å; F262-R457 HydrophobicContact CZ-CG 3.43Å; F262-R457 VanDerWaalsContact CZ-CG 3.43Å
263Q80.5Confident91.7Very high57 Ų5720.5 Ų20.527%0.26610%0.104SC..  trans-91.5149.3-176.2-66.4-162.1-33.700112.5G318 R516Q263-G318 CarbonylContact O-C 3.55Å; Q263-G318 WeakPolarHBondContact O-CA 3.46Å; Q263-G318 PolarHBondContact O-N 3.16Å; Q263-G318 VanDerWaalsContact O-N 3.14Å; Q263-R516 PolarHBondContact NE2-O 3.16Å
264E88.9Confident91.4Very high31 Ų3120.6 Ų20.615%0.14511%0.108CC..  trans-100.8120.1174.4173-174.1157.200108.4I266 R286 R316 R480E264-I266 HydrophobicContact CG-CD1 3.94Å; E264-I266 HydrophobicContact CG-CG1 3.96Å; E264-I266 WeakPolarHBondContact OE1-CD1 3.48Å; E264-R286 IonicContact OE1-CZ 2.66Å; E264-R286 VanDerWaalsContact OE1-CZ 3.3Å; E264-R286 IonicContact OE1-NE 2.74Å; E264-R286 PolarHBondContact OE1-NE 3.11Å; E264-R286 IonicContact OE1-NH2 2.76Å; E264-R286 PolarHBondContact OE1-NH2 2.69Å; E264-R316 HydrophobicContact CB-CB 4.43Å; E264-R316 VanDerWaalsContact CD-CD 3.5Å; E264-R316 HydrophobicContact CG-CB 3.98Å; E264-R316 VanDerWaalsContact OE1-CD 3.31Å; E264-R316 WeakPolarHBondContact OE1-CD 3.34Å; E264-R316 IonicContact OE1-NE 2.58Å; E264-R316 PolarHBondContact OE1-NE 3.46Å; E264-R316 WeakPolarHBondContact OE2-CB 3.48Å; E264-R316 IonicContact OE2-CZ 3.03Å; E264-R316 IonicContact OE2-NE 3.01Å; E264-R316 PolarHBondContact OE2-NE 2.91Å; E264-R480 IonicContact OE2-CZ 2.72Å; E264-R480 IonicContact OE2-NH1 3.57Å; E264-R480 PolarHBondContact OE2-NH1 2.88Å; E264-R480 IonicContact OE2-NH2 3.59Å
265N90.5Very high91.1Very high25 Ų2521 Ų2113%0.13411%0.11CC..EExtended strand (participates in β ladder)trans-122.999.9176.4-64.8-12.2000109.6K233 Y267 L319 I320 A321 D774K233-N265 PolarHBondContact NZ-ND2 3.01Å; N265-Y267 HydrophobicContact CB-CE2 3.91Å; N265-L319 PolarHBondContact N-O 2.85Å; N265-I320 HydrophobicContact CB-CG1 4.3Å; N265-I320 VanDerWaalsContact O-CA 3.31Å; N265-I320 WeakPolarHBondContact O-CA 3.46Å; N265-A321 PolarHBondContact O-N 2.77Å; N265-D774 PolarHBondContact ND2-OD2 3.25Å
266I94.5Very high90.5Very high31 Ų3130.3 Ų30.316%0.15915%0.145CC..EExtended strand (participates in β ladder)trans-113.3121.7177.2-54.7169.9000109.1E264 L282 F285 R286 L319 A321 V323E264-I266 HydrophobicContact CG-CD1 3.94Å; E264-I266 HydrophobicContact CG-CG1 3.96Å; E264-I266 WeakPolarHBondContact OE1-CD1 3.48Å; I266-L282 HydrophobicContact CB-CD1 4.14Å; I266-L282 HydrophobicContact CD1-CD1 3.96Å; I266-L282 HydrophobicContact CG2-CD1 3.63Å; I266-F285 HydrophobicContact CD1-CD1 4.08Å; I266-F285 HydrophobicContact CD1-CE1 3.67Å; I266-F285 HydrophobicContact CG1-CE1 4.2Å; I266-F285 HydrophobicContact CG2-CD1 4.38Å; I266-F285 HydrophobicContact CG2-CE1 4.22Å; I266-R286 HydrophobicContact CD1-CG 4.27Å; I266-L319 HydrophobicContact CD1-CD2 4.35Å; I266-L319 HydrophobicContact CG1-CD2 4.37Å; I266-A321 CarbonylContact C-O 3.52Å; I266-A321 WeakPolarHBondContact CA-O 3.36Å; I266-A321 HydrophobicContact CG1-CB 4.26Å; I266-A321 HydrophobicContact CG2-CB 4.26Å; I266-V323 HydrophobicContact CG2-CG2 4.13Å
267Y94.7Very high90Very high39 Ų3935.6 Ų35.615%0.15317%0.173CC..EExtended strand (participates in β ladder)trans-104.9129178.4-58.7-89.6000109.6L229 N265 A321 V322 V323 I771L229-Y267 HydrophobicContact CD1-CD2 3.59Å; L229-Y267 HydrophobicContact CD1-CE2 3.51Å; L229-Y267 HydrophobicContact CD2-CE2 3.82Å; L229-Y267 HydrophobicContact CG-CE2 4.26Å; N265-Y267 HydrophobicContact CB-CE2 3.91Å; Y267-A321 PolarHBondContact N-O 3.22Å; Y267-V322 CarbonylContact O-C 3.56Å; Y267-V322 WeakPolarHBondContact O-CA 3.38Å; Y267-V323 PolarHBondContact O-N 3.33Å; Y267-I771 HydrophobicContact CD1-CD1 4.41Å; Y267-I771 HydrophobicContact CE1-CD1 3.89Å; Y267-I771 HydrophobicContact CE1-CG1 3.65Å
268C95.8Very high89.8Confident7 Ų735.3 Ų35.35%0.04717%0.172CC..EExtended strand (participates in β ladder)trans-118.9132.1-174.7-64.30000111.2P274 Q275 H281 V323C268-P274 WeakPolarHBondContact O-CA 3.36Å; C268-Q275 HydrophobicContact CB-CB 4.5Å; C268-Q275 PolarHBondContact O-N 3.14Å; C268-H281 WeakPolarHBondContact CB-NE2 3.37Å; C268-V323 CarbonylContact C-O 2.94Å; C268-V323 WeakPolarHBondContact CA-O 3.37Å
269F94.5Very high89.7Confident2 Ų235.8 Ų35.81%0.00918%0.178CC..EExtended strand (participates in β ladder)trans-132.8142.3-179-57.6-88.7000111.3E193 L197 F225 I273 P274 V322 V323 S324 V325E193-F269 HydrophobicContact CB-CE1 4.47Å; L197-F269 HydrophobicContact CD1-CD1 3.48Å; L197-F269 VanDerWaalsContact CD1-CD1 3.48Å; L197-F269 HydrophobicContact CD1-CD2 4.46Å; L197-F269 HydrophobicContact CD1-CE1 3.68Å; L197-F269 HydrophobicContact CD1-CG 3.91Å; L197-F269 HydrophobicContact CD1-CZ 4.27Å; L197-F269 HydrophobicContact CD2-CB 4.17Å; L197-F269 HydrophobicContact CD2-CD1 4.31Å; L197-F269 HydrophobicContact CD2-CD2 3.88Å; L197-F269 HydrophobicContact CD2-CE2 4.35Å; L197-F269 HydrophobicContact CD2-CG 3.86Å; F225-F269 AromaticContact CE1-CE2 3.93Å; F225-F269 HydrophobicContact CE1-CE2 3.93Å; F225-F269 AromaticContact CE1-CZ 3.85Å; F225-F269 HydrophobicContact CE1-CZ 3.85Å; F269-I273 CarbonylContact C-O 3.54Å; F269-I273 VanDerWaalsContact CA-O 3.23Å; F269-I273 WeakPolarHBondContact CA-O 3.18Å; F269-P274 HydrophobicContact CD1-CB 3.9Å; F269-P274 HydrophobicContact CE1-CB 3.71Å; F269-V322 HydrophobicContact CD2-CG1 3.96Å; F269-V322 HydrophobicContact CE2-CG1 3.91Å; F269-V323 PolarHBondContact N-O 2.8Å; F269-S324 WeakPolarHBondContact O-CA 3.25Å; F269-V325 WeakPolarHBondContact O-CG2 3.46Å; F269-V325 PolarHBondContact O-N 3.32Å
270T92.4Very high89.9Confident0 Ų036.8 Ų36.80%018%0.184CC..EExtended strand (participates in β ladder)trans-128.9118172.3-55.50000107.1N272 I273 Q275 V325 V327 P330 F332 L340T270-N272 PolarHBondContact O-N 2.86Å; T270-I273 PolarHBondContact N-O 2.96Å; T270-I273 WeakPolarHBondContact O-CB 3.25Å; T270-I273 PolarHBondContact O-N 3.09Å; T270-Q275 PolarHBondContact OG1-OE1 3.38Å; T270-V325 CarbonylContact C-O 3.57Å; T270-V325 WeakPolarHBondContact CA-O 3.32Å; T270-V325 HydrophobicContact CG2-CG2 4.01Å; T270-V327 HydrophobicContact CG2-CB 4.41Å; T270-V327 HydrophobicContact CG2-CG2 4.15Å; T270-P330 HydrophobicContact CG2-CB 3.68Å; T270-P330 HydrophobicContact CG2-CG 4.06Å; T270-F332 HydrophobicContact CG2-CE1 4.38Å; T270-F332 HydrophobicContact CG2-CZ 3.97Å; T270-L340 HydrophobicContact CG2-CD1 4.03Å
271N88.7Confident90.2Very high4 Ų433.2 Ų33.22%0.02117%0.165CC..THydrogen-bonded Turntrans49.346.5-177.1-58.1-1.4000112.5V111 S112 I273 V325 K326 V327V111-N271 HydrophobicContact CG1-CB 4.11Å; V111-N271 VanDerWaalsContact CG1-CG 3.4Å; V111-N271 WeakPolarHBondContact CG1-OD1 3.49Å; S112-N271 VanDerWaalsContact O-CB 3.3Å; S112-N271 WeakPolarHBondContact O-CB 3.37Å; S112-N271 PolarHBondContact O-ND2 3.41Å; N271-I273 PolarHBondContact O-N 3.28Å; N271-I273 VanDerWaalsContact O-N 3.16Å; N271-V325 PolarHBondContact N-O 2.76Å; N271-K326 VanDerWaalsContact OD1-CA 3.31Å; N271-K326 WeakPolarHBondContact OD1-CA 3.48Å; N271-V327 PolarHBondContact ND2-O 2.98Å; N271-V327 PolarHBondContact OD1-N 2.86Å; N271-V327 PolarHBondContact OD1-O 2.8Å
272N87.7Confident90.8Very high3 Ų333.3 Ų33.32%0.01616%0.16CC..THydrogen-bonded Turntrans69-5.2-175.9-57.9-19.1000116.6I48 R190 L194 L197 N198 T270 K326I48-N272 WeakPolarHBondContact CG2-ND2 3.43Å; R190-N272 PolarHBondContact NH1-O 3.33Å; R190-N272 VanDerWaalsContact NH1-O 3.15Å; R190-N272 PolarHBondContact NH2-O 3.06Å; L194-N272 HydrophobicContact CD2-CB 3.96Å; L197-N272 HydrophobicContact CD1-CB 4.38Å; N198-N272 PolarHBondContact ND2-ND2 2.98Å; N198-N272 VanDerWaalsContact ND2-ND2 3.12Å; N198-N272 PolarHBondContact OD1-ND2 3.28Å; T270-N272 PolarHBondContact O-N 2.86Å; N272-K326 PolarHBondContact OD1-NZ 3.34Å
273I86.4Confident91.5Very high13 Ų1331.9 Ų31.97%0.06716%0.163CC..EExtended strand (participates in β ladder)trans-85.4132.5177.7-59.3160.5000109.1G113 F269 T270 N271 Q275 K337G113-I273 WeakPolarHBondContact O-CD1 3.1Å; F269-I273 CarbonylContact C-O 3.54Å; F269-I273 VanDerWaalsContact CA-O 3.23Å; F269-I273 WeakPolarHBondContact CA-O 3.18Å; T270-I273 PolarHBondContact N-O 2.96Å; T270-I273 WeakPolarHBondContact O-CB 3.25Å; T270-I273 PolarHBondContact O-N 3.09Å; N271-I273 PolarHBondContact O-N 3.28Å; N271-I273 VanDerWaalsContact O-N 3.16Å; I273-Q275 PolarHBondContact O-NE2 3.11Å; I273-Q275 PolarHBondContact O-OE1 3.1Å; I273-K337 HydrophobicContact CD1-CD 3.52Å; I273-K337 HydrophobicContact CG2-CB 3.94Å; I273-K337 HydrophobicContact CG2-CD 4.09Å
274P90.5Very high92.3Very high36 Ų3629.2 Ų29.223%0.23415%0.15CC..EExtended strand (participates in β ladder)trans-81.1140.7-179.631.3-24.4000110.3R190 C268 F269R190-P274 VanDerWaalsContact CZ-CD 3.46Å; R190-P274 VanDerWaalsContact NH1-CD 3.34Å; C268-P274 WeakPolarHBondContact O-CA 3.36Å; F269-P274 HydrophobicContact CD1-CB 3.9Å; F269-P274 HydrophobicContact CE1-CB 3.71Å
275Q91.1Very high92.7Very high8 Ų827.7 Ų27.74%0.03714%0.143CC..  trans-109.6100172.2-74.172.561.400109.8C268 T270 I273 D277 G278 H281 F332 D338 L340C268-Q275 HydrophobicContact CB-CB 4.5Å; C268-Q275 PolarHBondContact O-N 3.14Å; T270-Q275 PolarHBondContact OG1-OE1 3.38Å; I273-Q275 PolarHBondContact O-NE2 3.11Å; I273-Q275 PolarHBondContact O-OE1 3.1Å; Q275-D277 VanDerWaalsContact C-N 3.3Å; Q275-D277 PolarHBondContact O-N 3.07Å; Q275-G278 WeakPolarHBondContact CB-O 3.34Å; Q275-G278 PolarHBondContact O-N 2.65Å; Q275-G278 VanDerWaalsContact O-N 3.08Å; Q275-H281 PolarHBondContact OE1-NE2 2.92Å; Q275-F332 HydrophobicContact CG-CE1 4.24Å; Q275-D338 CarbonylContact C-O 3.59Å; Q275-D338 VanDerWaalsContact C-O 3.28Å; Q275-D338 VanDerWaalsContact CA-O 3.24Å; Q275-D338 WeakPolarHBondContact CA-O 3.36Å; Q275-D338 WeakPolarHBondContact CB-O 3.15Å; Q275-L340 HydrophobicContact CG-CB 4.27Å
276R84.9Confident92.9Very high196 Ų19631.2 Ų31.274%0.7415%0.154SC*.THydrogen-bonded Turntrans-60.8-39.4-179.8-65.4179.4-178.8-174.92.5112.2G278 D338R276-G278 PolarHBondContact O-N 3.15Å; R276-D338 PolarHBondContact N-O 3.15Å
277D86.7Confident92.9Very high111 Ų11131.1 Ų31.159%0.59416%0.158SC*.THydrogen-bonded Turntrans-87.76.7179.2-67.1-12.9000112.4Q275 G279 D338 K339Q275-D277 VanDerWaalsContact C-N 3.3Å; Q275-D277 PolarHBondContact O-N 3.07Å; D277-G279 PolarHBondContact O-N 2.96Å; D277-D338 PolarHBondContact N-O 2.86Å; D277-K339 HydrophobicContact CB-CB 3.97Å; D277-K339 HydrophobicContact CB-CD 4.35Å; D277-K339 HydrophobicContact CB-CG 4.25Å
278G91.8Very high93Very high3 Ų329.2 Ų29.23%0.03115%0.151CC..  trans63.7-131.6-174.300000112Q275 R276 H281 K339 L340Q275-G278 WeakPolarHBondContact CB-O 3.34Å; Q275-G278 PolarHBondContact O-N 2.65Å; Q275-G278 VanDerWaalsContact O-N 3.08Å; R276-G278 PolarHBondContact O-N 3.15Å; G278-H281 VanDerWaalsContact C-CE1 3.46Å; G278-H281 PolarHBondContact O-CE1 2.8Å; G278-K339 VanDerWaalsContact O-CA 3.32Å; G278-K339 WeakPolarHBondContact O-CA 3.43Å; G278-L340 PolarHBondContact O-N 2.85Å; G278-L340 VanDerWaalsContact O-N 3.09Å
279G95.4Very high92.9Very high12 Ų1228.9 Ų28.912%0.12415%0.149CC..BIsolated β-bridgetrans148.7-156-176.900000113.2D277 H281 L282 A283 L340D277-G279 PolarHBondContact O-N 2.96Å; G279-H281 VanDerWaalsContact C-N 3.33Å; G279-H281 PolarHBondContact O-N 2.84Å; G279-L282 PolarHBondContact O-N 3.33Å; G279-A283 PolarHBondContact O-N 3.24Å; G279-L340 WeakPolarHBondContact CA-O 3.44Å
280T97.2Very high92.8Very high24 Ų2430 Ų3015%0.14716%0.156CC..Hα-helixtrans-63.2-35.5-17750.40000113.2A283 G284 L340 S342 K346T280-A283 PolarHBondContact O-N 2.89Å; T280-G284 PolarHBondContact O-N 2.9Å; T280-L340 PolarHBondContact N-O 3.04Å; T280-L340 WeakPolarHBondContact OG1-CD2 3.35Å; T280-L340 WeakPolarHBondContact OG1-CG 3.22Å; T280-S342 WeakPolarHBondContact CB-O 3.49Å; T280-S342 WeakPolarHBondContact CG2-O 3.34Å; T280-S342 PolarHBondContact OG1-O 3.27Å; T280-K346 WeakPolarHBondContact O-CA 3.49Å
281H96.3Very high92.9Very high0 Ų035.3 Ų35.30%018%0.176CC..Hα-helixtrans-61.7-50.2171.452.1-13.3000112.7C268 Q275 G278 G279 A283 G284 F285 V323 V325 L340 V345 V349C268-H281 WeakPolarHBondContact CB-NE2 3.37Å; Q275-H281 PolarHBondContact OE1-NE2 2.92Å; G278-H281 VanDerWaalsContact C-CE1 3.46Å; G278-H281 PolarHBondContact O-CE1 2.8Å; G279-H281 VanDerWaalsContact C-N 3.33Å; G279-H281 PolarHBondContact O-N 2.84Å; H281-A283 VanDerWaalsContact C-N 3.31Å; H281-A283 PolarHBondContact O-N 3.38Å; H281-G284 PolarHBondContact O-N 3.31Å; H281-F285 WeakPolarHBondContact O-CB 3.28Å; H281-F285 PolarHBondContact O-N 2.89Å; H281-V323 HydrophobicContact CB-CG1 4.33Å; H281-V325 HydrophobicContact CB-CG1 4.1Å; H281-V325 HydrophobicContact CB-CG2 4.43Å; H281-L340 HydrophobicContact CB-CD2 4.14Å; H281-V345 HydrophobicContact CB-CG1 3.86Å; H281-V349 HydrophobicContact CB-CG2 4.22Å
282L96.7Very high93.2Very high22 Ų2235.8 Ų35.812%0.11518%0.179CC..Hα-helixtrans-59.8-42.4176.6179.759.1000111.7I266 G279 F285 R286I266-L282 HydrophobicContact CB-CD1 4.14Å; I266-L282 HydrophobicContact CD1-CD1 3.96Å; I266-L282 HydrophobicContact CG2-CD1 3.63Å; G279-L282 PolarHBondContact O-N 3.33Å; L282-F285 PolarHBondContact O-N 3.14Å; L282-R286 HydrophobicContact CD1-CG 4.03Å; L282-R286 HydrophobicContact CG-CG 4.48Å; L282-R286 WeakPolarHBondContact O-CB 3.25Å; L282-R286 WeakPolarHBondContact O-CG 3.49Å; L282-R286 PolarHBondContact O-N 3.36Å
283A96.4Very high93.6Very high46 Ų4635.6 Ų35.638%0.3818%0.178SC..Hα-helixtrans-63.4-43.2178.100000111.9G279 T280 H281 A287G279-A283 PolarHBondContact O-N 3.24Å; T280-A283 PolarHBondContact O-N 2.89Å; H281-A283 VanDerWaalsContact C-N 3.31Å; H281-A283 PolarHBondContact O-N 3.38Å; A283-A287 VanDerWaalsContact O-CB 3.27Å; A283-A287 WeakPolarHBondContact O-CB 3.4Å; A283-A287 PolarHBondContact O-N 3.09Å; A283-A287 VanDerWaalsContact O-N 3.12Å
284G96.4Very high93.9Very high0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-62.1-47.1175.200000112T280 H281 A287 A288T280-G284 PolarHBondContact O-N 2.9Å; H281-G284 PolarHBondContact O-N 3.31Å; G284-A287 PolarHBondContact O-N 3.5Å; G284-A288 WeakPolarHBondContact O-CB 3.27Å; G284-A288 PolarHBondContact O-N 2.8Å
285F97.3Very high94Very high0 Ų038.1 Ų38.10%020%0.198CC..Hα-helixtrans-58.1-53.8176.9173.2-98.9000112.6V254 L256 I266 H281 L282 A287 A288 M289 L319 A321 V323 V349 M353V254-F285 HydrophobicContact CG1-CD2 4.15Å; V254-F285 HydrophobicContact CG1-CE2 3.72Å; L256-F285 HydrophobicContact CD2-CE2 3.81Å; L256-F285 HydrophobicContact CD2-CZ 3.96Å; I266-F285 HydrophobicContact CD1-CD1 4.08Å; I266-F285 HydrophobicContact CD1-CE1 3.67Å; I266-F285 HydrophobicContact CG1-CE1 4.2Å; I266-F285 HydrophobicContact CG2-CD1 4.38Å; I266-F285 HydrophobicContact CG2-CE1 4.22Å; H281-F285 WeakPolarHBondContact O-CB 3.28Å; H281-F285 PolarHBondContact O-N 2.89Å; L282-F285 PolarHBondContact O-N 3.14Å; F285-A287 VanDerWaalsContact C-N 3.33Å; F285-A287 PolarHBondContact O-N 2.64Å; F285-A288 PolarHBondContact O-N 2.83Å; F285-M289 HydrophobicContact CE1-CE 3.76Å; F285-M289 HydrophobicContact CE1-SD 4.35Å; F285-M289 HydrophobicContact CE2-CE 3.76Å; F285-M289 HydrophobicContact CZ-CE 3.19Å; F285-M289 HydrophobicContact CZ-SD 4.33Å; F285-M289 WeakPolarHBondContact O-CB 3.25Å; F285-M289 PolarHBondContact O-N 3.01Å; F285-L319 HydrophobicContact CE1-CD2 4.23Å; F285-L319 HydrophobicContact CZ-CD2 4.31Å; F285-A321 HydrophobicContact CE1-CB 4.08Å; F285-A321 HydrophobicContact CE2-CB 4.37Å; F285-A321 HydrophobicContact CZ-CB 3.54Å; F285-V323 HydrophobicContact CB-CG2 4.19Å; F285-V323 HydrophobicContact CD1-CG2 4.15Å; F285-V323 HydrophobicContact CD2-CG2 3.7Å; F285-V323 HydrophobicContact CE1-CG2 4.47Å; F285-V323 HydrophobicContact CE2-CG2 4.04Å; F285-V323 HydrophobicContact CG-CG2 3.75Å; F285-V323 HydrophobicContact CZ-CG2 4.38Å; F285-V349 HydrophobicContact CB-CG1 4.06Å; F285-M353 HydrophobicContact CD2-CG 4.24Å; F285-M353 HydrophobicContact CD2-SD 3.61Å; F285-M353 HydrophobicContact CE2-SD 3.7Å
286R95.7Very high94.2Very high98 Ų9838.7 Ų38.737%0.3720%0.2SC..Hα-helixtrans-61.6-40.5-178.5-77.1-176.9165.7157.7-0.7112.2E264 I266 L282 T290E264-R286 IonicContact OE1-CZ 2.66Å; E264-R286 VanDerWaalsContact OE1-CZ 3.3Å; E264-R286 IonicContact OE1-NE 2.74Å; E264-R286 PolarHBondContact OE1-NE 3.11Å; E264-R286 IonicContact OE1-NH2 2.76Å; E264-R286 PolarHBondContact OE1-NH2 2.69Å; I266-R286 HydrophobicContact CD1-CG 4.27Å; L282-R286 HydrophobicContact CD1-CG 4.03Å; L282-R286 HydrophobicContact CG-CG 4.48Å; L282-R286 WeakPolarHBondContact O-CB 3.25Å; L282-R286 WeakPolarHBondContact O-CG 3.49Å; L282-R286 PolarHBondContact O-N 3.36Å; R286-T290 WeakPolarHBondContact O-CB 3.45Å; R286-T290 PolarHBondContact O-N 3.43Å; R286-T290 PolarHBondContact O-OG1 3.23Å
287A94.3Very high94.5Very high29 Ų2929.5 Ų29.524%0.2417%0.165CC..Hα-helixtrans-66.5-45.9179.200000111.7A283 G284 F285 R291A283-A287 VanDerWaalsContact O-CB 3.27Å; A283-A287 WeakPolarHBondContact O-CB 3.4Å; A283-A287 PolarHBondContact O-N 3.09Å; A283-A287 VanDerWaalsContact O-N 3.12Å; G284-A287 PolarHBondContact O-N 3.5Å; F285-A287 VanDerWaalsContact C-N 3.33Å; F285-A287 PolarHBondContact O-N 2.64Å; A287-R291 WeakPolarHBondContact O-CG 3.31Å; A287-R291 PolarHBondContact O-N 2.99Å
288A96.2Very high94.8Very high0 Ų029 Ų290%016%0.162CC..Hα-helixtrans-63.1-51.9178.300000112.3G284 F285 T290 R291 T292 E350 M353 N354G284-A288 WeakPolarHBondContact O-CB 3.27Å; G284-A288 PolarHBondContact O-N 2.8Å; F285-A288 PolarHBondContact O-N 2.83Å; A288-T290 PolarHBondContact O-N 3.39Å; A288-R291 PolarHBondContact O-N 3.41Å; A288-T292 WeakPolarHBondContact O-CB 3.31Å; A288-T292 PolarHBondContact O-N 2.76Å; A288-T292 PolarHBondContact O-OG1 3.41Å; A288-E350 HydrophobicContact CB-CG 4.24Å; A288-E350 WeakPolarHBondContact CB-O 3.25Å; A288-M353 HydrophobicContact CB-CB 3.63Å; A288-M353 HydrophobicContact CB-CG 3.66Å; A288-N354 WeakPolarHBondContact CA-OD1 3.37Å; A288-N354 VanDerWaalsContact CB-OD1 3.24Å; A288-N354 WeakPolarHBondContact CB-OD1 3.45Å; A288-N354 PolarHBondContact O-OD1 2.91Å
289M94.7Very high94.8Very high0 Ų036.1 Ų36.10%019%0.193CC..Hα-helixtrans-53.9-50.2179.2175.8177.9-73.700112.6L256 W258 F285 R291 T292 L293 R316 L319L256-M289 HydrophobicContact CD1-CE 4.49Å; L256-M289 HydrophobicContact CD2-CE 3.58Å; W258-M289 HydrophobicContact CH2-CE 4.45Å; W258-M289 HydrophobicContact CZ2-CE 4.46Å; W258-M289 HydrophobicContact CZ2-SD 4.32Å; F285-M289 HydrophobicContact CE1-CE 3.76Å; F285-M289 HydrophobicContact CE1-SD 4.35Å; F285-M289 HydrophobicContact CE2-CE 3.76Å; F285-M289 HydrophobicContact CZ-CE 3.19Å; F285-M289 HydrophobicContact CZ-SD 4.33Å; F285-M289 WeakPolarHBondContact O-CB 3.25Å; F285-M289 PolarHBondContact O-N 3.01Å; M289-R291 VanDerWaalsContact C-N 3.33Å; M289-R291 PolarHBondContact O-N 3.35Å; M289-T292 PolarHBondContact O-N 3.22Å; M289-L293 HydrophobicContact CG-CD1 3.58Å; M289-L293 HydrophobicContact CG-CG 4.47Å; M289-L293 WeakPolarHBondContact O-CB 3.32Å; M289-L293 WeakPolarHBondContact O-CG 3.27Å; M289-L293 PolarHBondContact O-N 3.49Å; M289-L293 HydrophobicContact SD-CD1 4.49Å; M289-R316 HydrophobicContact SD-CG 3.87Å; M289-L319 HydrophobicContact CE-CD1 4.15Å; M289-L319 HydrophobicContact CE-CD2 3.64Å; M289-L319 HydrophobicContact SD-CD2 3.51Å; M289-L319 VanDerWaalsContact SD-CD2 3.51Å
290T92.6Very high94.7Very high26 Ų2639.7 Ų39.716%0.1621%0.206CC..Hα-helixtrans-59.9-44.6-178.4-54.80000111.2R286 A288 N294 G312 R316R286-T290 WeakPolarHBondContact O-CB 3.45Å; R286-T290 PolarHBondContact O-N 3.43Å; R286-T290 PolarHBondContact O-OG1 3.23Å; A288-T290 PolarHBondContact O-N 3.39Å; T290-N294 WeakPolarHBondContact O-CB 3.39Å; T290-N294 VanDerWaalsContact O-CG 3.32Å; T290-N294 PolarHBondContact O-N 3.48Å; T290-N294 VanDerWaalsContact O-N 3.16Å; T290-N294 PolarHBondContact O-ND2 2.85Å; T290-G312 WeakPolarHBondContact OG1-CA 3.49Å; T290-R316 PolarHBondContact OG1-NH1 3.06Å
291R94Very high94.3Very high110 Ų11039.5 Ų39.542%0.41521%0.209SC..Hα-helixtrans-71-44.2-178.8-72.1-172.8-51.7-107.7-15.6112.5A287 A288 M289 N294 A295 E350A287-R291 WeakPolarHBondContact O-CG 3.31Å; A287-R291 PolarHBondContact O-N 2.99Å; A288-R291 PolarHBondContact O-N 3.41Å; M289-R291 VanDerWaalsContact C-N 3.33Å; M289-R291 PolarHBondContact O-N 3.35Å; R291-N294 PolarHBondContact O-N 3.2Å; R291-A295 VanDerWaalsContact O-CB 3.26Å; R291-A295 WeakPolarHBondContact O-CB 3.32Å; R291-A295 PolarHBondContact O-N 3.33Å; R291-E350 IonicContact CZ-OE1 3.15Å; R291-E350 IonicContact NH1-OE1 3.71Å; R291-E350 PolarHBondContact NH1-OE1 3.14Å; R291-E350 VanDerWaalsContact NH2-CD 3.3Å; R291-E350 IonicContact NH2-OE1 3.94Å; R291-E350 PolarHBondContact NH2-OE1 3.07Å
292T95.6Very high94Very high14 Ų1442.1 Ų42.19%0.08622%0.219CC..Hα-helixtrans-64.3-44.1-178.9-61.50000111.5A288 M289 A295 Y296 N354 L357 A358 L361A288-T292 WeakPolarHBondContact O-CB 3.31Å; A288-T292 PolarHBondContact O-N 2.76Å; A288-T292 PolarHBondContact O-OG1 3.41Å; M289-T292 PolarHBondContact O-N 3.22Å; T292-A295 PolarHBondContact O-N 3.31Å; T292-Y296 WeakPolarHBondContact O-CB 3.38Å; T292-Y296 PolarHBondContact O-N 3.24Å; T292-N354 WeakPolarHBondContact OG1-CA 3.35Å; T292-N354 PolarHBondContact OG1-OD1 3.09Å; T292-L357 HydrophobicContact CG2-CB 4Å; T292-L357 HydrophobicContact CG2-CD2 3.97Å; T292-L357 HydrophobicContact CG2-CG 3.9Å; T292-A358 HydrophobicContact CG2-CB 3.94Å; T292-L361 HydrophobicContact CG2-CD1 4.1Å
293L94.8Very high93.3Very high0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-64.4-44.1177.2-70.6166.6000111.8W258 M289 Y296 M297 A315 L357 L361 V371 I375W258-L293 HydrophobicContact CH2-CD1 4.23Å; W258-L293 HydrophobicContact CZ2-CD1 3.91Å; M289-L293 HydrophobicContact CG-CD1 3.58Å; M289-L293 HydrophobicContact CG-CG 4.47Å; M289-L293 WeakPolarHBondContact O-CB 3.32Å; M289-L293 WeakPolarHBondContact O-CG 3.27Å; M289-L293 PolarHBondContact O-N 3.49Å; M289-L293 HydrophobicContact SD-CD1 4.49Å; L293-Y296 PolarHBondContact O-N 3.37Å; L293-M297 WeakPolarHBondContact O-CG 3.38Å; L293-M297 PolarHBondContact O-N 2.93Å; L293-A315 HydrophobicContact CD1-CB 3.92Å; L293-L357 HydrophobicContact CG-CD2 4.44Å; L293-L361 HydrophobicContact CD2-CD1 4.01Å; L293-L361 HydrophobicContact CD2-CD2 4.2Å; L293-V371 HydrophobicContact CD2-CG1 4.43Å; L293-I375 HydrophobicContact CD1-CD1 3.94Å; L293-I375 HydrophobicContact CD2-CD1 4.27Å; L293-I375 HydrophobicContact CG-CD1 4.48Å
294N92.6Very high92.6Very high42 Ų4248.8 Ų48.823%0.22524%0.242CC..Hα-helixtrans-63.1-44.2176.1-78.4-18.9000112.1T290 R291 Y296 M297 D298 A310T290-N294 WeakPolarHBondContact O-CB 3.39Å; T290-N294 VanDerWaalsContact O-CG 3.32Å; T290-N294 PolarHBondContact O-N 3.48Å; T290-N294 VanDerWaalsContact O-N 3.16Å; T290-N294 PolarHBondContact O-ND2 2.85Å; R291-N294 PolarHBondContact O-N 3.2Å; N294-Y296 VanDerWaalsContact C-N 3.33Å; N294-Y296 PolarHBondContact O-N 3.37Å; N294-M297 HydrophobicContact CB-CE 4.48Å; N294-M297 PolarHBondContact O-N 3.31Å; N294-M297 WeakPolarHBondContact OD1-CE 3.42Å; N294-D298 WeakPolarHBondContact O-CB 3.32Å; N294-D298 PolarHBondContact O-N 3.4Å; N294-A310 PolarHBondContact ND2-O 3.43Å
295A93.5Very high92Very high59 Ų5956.6 Ų56.649%0.48828%0.276SS..Hα-helixtrans-61.2-41.6176.500000111.9R291 T292 K299R291-A295 VanDerWaalsContact O-CB 3.26Å; R291-A295 WeakPolarHBondContact O-CB 3.32Å; R291-A295 PolarHBondContact O-N 3.33Å; T292-A295 PolarHBondContact O-N 3.31Å; A295-K299 VanDerWaalsContact O-CB 3.27Å; A295-K299 WeakPolarHBondContact O-CB 3.18Å; A295-K299 PolarHBondContact O-N 2.83Å
296Y94.3Very high91.3Very high20 Ų2057 Ų578%0.07828%0.279CS..Hα-helixtrans-63.2-47.8174.7-177.6-92.8000111.7T292 L293 N294 D298 K299 E300 Y302 L361 L362 A368 V372T292-Y296 WeakPolarHBondContact O-CB 3.38Å; T292-Y296 PolarHBondContact O-N 3.24Å; L293-Y296 PolarHBondContact O-N 3.37Å; N294-Y296 VanDerWaalsContact C-N 3.33Å; N294-Y296 PolarHBondContact O-N 3.37Å; Y296-D298 VanDerWaalsContact C-N 3.32Å; Y296-D298 PolarHBondContact O-N 3.5Å; Y296-K299 PolarHBondContact O-N 3.32Å; Y296-E300 HydrophobicContact CD1-CG 4.33Å; Y296-E300 HydrophobicContact CD2-CG 4.31Å; Y296-E300 HydrophobicContact CE1-CG 3.99Å; Y296-E300 HydrophobicContact CE2-CG 3.99Å; Y296-E300 HydrophobicContact CG-CG 4.48Å; Y296-E300 WeakPolarHBondContact O-CB 3.45Å; Y296-E300 WeakPolarHBondContact O-CG 3.4Å; Y296-E300 PolarHBondContact O-N 3.21Å; Y296-Y302 HydrophobicContact CE1-CE2 4.18Å; Y296-L361 HydrophobicContact CD1-CD1 4.48Å; Y296-L361 HydrophobicContact CD2-CB 3.67Å; Y296-L361 HydrophobicContact CD2-CD1 4.12Å; Y296-L361 HydrophobicContact CD2-CG 4.49Å; Y296-L361 HydrophobicContact CE2-CB 3.63Å; Y296-L361 WeakPolarHBondContact CE2-O 3.44Å; Y296-L361 HydrophobicContact CG-CB 4.21Å; Y296-L361 HydrophobicContact CG-CD1 3.93Å; Y296-L361 PolarHBondContact OH-O 3.46Å; Y296-L361 VanDerWaalsContact OH-O 3.11Å; Y296-L362 HydrophobicContact CE2-CD2 4.25Å; Y296-A368 HydrophobicContact CE1-CB 3.85Å; Y296-A368 WeakPolarHBondContact OH-CB 3.36Å; Y296-V372 HydrophobicContact CD1-CG2 4.1Å; Y296-V372 HydrophobicContact CE1-CG2 4.22Å
297M93Very high90.6Very high3 Ų361.7 Ų61.72%0.01530%0.302CS..Hα-helixtrans-61.4-38178.3-73-173.6-61.100113.2L293 N294 G301 Y302 S303 A310 V372 I375L293-M297 WeakPolarHBondContact O-CG 3.38Å; L293-M297 PolarHBondContact O-N 2.93Å; N294-M297 HydrophobicContact CB-CE 4.48Å; N294-M297 PolarHBondContact O-N 3.31Å; N294-M297 WeakPolarHBondContact OD1-CE 3.42Å; M297-G301 CarbonylContact O-C 3.58Å; M297-G301 PolarHBondContact O-N 3.35Å; M297-G301 VanDerWaalsContact O-N 3.11Å; M297-Y302 PolarHBondContact O-N 2.8Å; M297-S303 WeakPolarHBondContact CB-OG 3.37Å; M297-S303 PolarHBondContact O-N 3.42Å; M297-A310 HydrophobicContact CE-CB 3.76Å; M297-V372 HydrophobicContact CG-CB 4.34Å; M297-V372 HydrophobicContact CG-CG1 3.75Å; M297-V372 HydrophobicContact CG-CG2 3.67Å; M297-V372 HydrophobicContact SD-CG1 3.92Å; M297-V372 HydrophobicContact SD-CG2 4.29Å; M297-I375 HydrophobicContact CE-CG2 4.26Å; M297-I375 HydrophobicContact SD-CG2 4.17Å
298D91.6Very high90.1Very high100 Ų10061.9 Ų61.954%0.53530%0.301SS..Hα-helixtrans-70.1-43.4177.3-74.7-17.3000111.7N294 Y296 G301 S303N294-D298 WeakPolarHBondContact O-CB 3.32Å; N294-D298 PolarHBondContact O-N 3.4Å; Y296-D298 VanDerWaalsContact C-N 3.32Å; Y296-D298 PolarHBondContact O-N 3.5Å; D298-G301 PolarHBondContact O-N 3.23Å; D298-S303 WeakPolarHBondContact OD1-CB 3.46Å; D298-S303 PolarHBondContact OD1-OG 2.93Å
299K92.4Very high89.5Confident154 Ų15466.4 Ų66.467%0.6733%0.332SS*.Hα-helixtrans-64.6-44.7179.1-173-179176.7-172.70112.2A295 Y296 G301A295-K299 VanDerWaalsContact O-CB 3.27Å; A295-K299 WeakPolarHBondContact O-CB 3.18Å; A295-K299 PolarHBondContact O-N 2.83Å; Y296-K299 PolarHBondContact O-N 3.32Å; K299-G301 VanDerWaalsContact C-N 3.27Å; K299-G301 PolarHBondContact O-N 2.99Å
300E92Very high89.2Confident87 Ų8767 Ų6741%0.40734%0.337SS..THydrogen-bonded Turntrans-82.8-1.7179-61.7-55124.600113.1Y296 Y302Y296-E300 HydrophobicContact CD1-CG 4.33Å; Y296-E300 HydrophobicContact CD2-CG 4.31Å; Y296-E300 HydrophobicContact CE1-CG 3.99Å; Y296-E300 HydrophobicContact CE2-CG 3.99Å; Y296-E300 HydrophobicContact CG-CG 4.48Å; Y296-E300 WeakPolarHBondContact O-CB 3.45Å; Y296-E300 WeakPolarHBondContact O-CG 3.4Å; Y296-E300 PolarHBondContact O-N 3.21Å; E300-Y302 HydrophobicContact CB-CD2 3.57Å; E300-Y302 HydrophobicContact CB-CE2 3.48Å; E300-Y302 VanDerWaalsContact CB-CE2 3.48Å; E300-Y302 HydrophobicContact CG-CE2 4.27Å; E300-Y302 PolarHBondContact O-N 2.97Å
301G89.8Confident89Confident20 Ų2068 Ų6821%0.20634%0.343CS..THydrogen-bonded Turntrans77.216.5173.100000115.5M297 D298 K299 K305M297-G301 CarbonylContact O-C 3.58Å; M297-G301 PolarHBondContact O-N 3.35Å; M297-G301 VanDerWaalsContact O-N 3.11Å; D298-G301 PolarHBondContact O-N 3.23Å; K299-G301 VanDerWaalsContact C-N 3.27Å; K299-G301 PolarHBondContact O-N 2.99Å; G301-K305 WeakPolarHBondContact O-CG 3.43Å
302Y90.2Very high88.8Confident54 Ų5463.5 Ų63.521%0.21233%0.331CS..Hα-helixtrans-67.6-43.2177-70.1-70.9000112.3Y296 M297 E300 K304 K305 A306 V372Y296-Y302 HydrophobicContact CE1-CE2 4.18Å; M297-Y302 PolarHBondContact O-N 2.8Å; E300-Y302 HydrophobicContact CB-CD2 3.57Å; E300-Y302 HydrophobicContact CB-CE2 3.48Å; E300-Y302 VanDerWaalsContact CB-CE2 3.48Å; E300-Y302 HydrophobicContact CG-CE2 4.27Å; E300-Y302 PolarHBondContact O-N 2.97Å; Y302-K304 VanDerWaalsContact C-N 3.34Å; Y302-K304 PolarHBondContact O-N 3.15Å; Y302-K305 PolarHBondContact O-N 2.94Å; Y302-K305 VanDerWaalsContact O-N 3.14Å; Y302-A306 PolarHBondContact O-N 2.98Å; Y302-V372 HydrophobicContact CD1-CG1 3.88Å; Y302-V372 HydrophobicContact CD2-CG1 3.83Å; Y302-V372 HydrophobicContact CE1-CG1 4.41Å; Y302-V372 HydrophobicContact CE2-CG1 4.37Å; Y302-V372 HydrophobicContact CG-CG1 3.56Å
303S82.2Confident88.4Confident27 Ų2765.3 Ų65.319%0.18934%0.34CS..Hα-helixtrans-58.8-43.3-178.9-49.90000112.4M297 D298 K305 A306 K307M297-S303 WeakPolarHBondContact CB-OG 3.37Å; M297-S303 PolarHBondContact O-N 3.42Å; D298-S303 WeakPolarHBondContact OD1-CB 3.46Å; D298-S303 PolarHBondContact OD1-OG 2.93Å; S303-K305 VanDerWaalsContact C-N 3.33Å; S303-K305 PolarHBondContact O-N 2.7Å; S303-A306 PolarHBondContact O-N 3.09Å; S303-K307 PolarHBondContact O-N 3.31Å
304K81.5Confident88.3Confident182 Ų18265.7 Ų65.779%0.79134%0.342SS*.Hα-helixtrans-63.8-37.6178.6-68.5-178.2-177.8173.30112.2Y302Y302-K304 VanDerWaalsContact C-N 3.34Å; Y302-K304 PolarHBondContact O-N 3.15Å
305K83.8Confident88.3Confident163 Ų16363.7 Ų63.771%0.70933%0.332SS*.Hα-helixtrans-72.7-37.9178.1-69.4175.5-1761710111.9G301 Y302 S303G301-K305 WeakPolarHBondContact O-CG 3.43Å; Y302-K305 PolarHBondContact O-N 2.94Å; Y302-K305 VanDerWaalsContact O-N 3.14Å; S303-K305 VanDerWaalsContact C-N 3.33Å; S303-K305 PolarHBondContact O-N 2.7Å
306A81.6Confident88.3Confident9 Ų962 Ų627%0.07431%0.312CS..Hα-helixtrans-70.4-29.8-176.700000113.6Y302 S303 V308 I376Y302-A306 PolarHBondContact O-N 2.98Å; S303-A306 PolarHBondContact O-N 3.09Å; A306-V308 PolarHBondContact O-N 3.21Å; A306-I376 HydrophobicContact CB-CD1 4.05Å; A306-I376 HydrophobicContact CB-CG1 4.01Å; A306-I376 HydrophobicContact CB-CG2 3.7Å
307K82.7Confident88.1Confident196 Ų19663.1 Ų63.185%0.85232%0.318SS*.THydrogen-bonded Turntrans55.627.6-171.2-59.8-176.9178.8179.90113.5S303S303-K307 PolarHBondContact O-N 3.31Å
308V82.2Confident88Confident34 Ų3463 Ų6321%0.20632%0.318CS..SBendtrans-137141.9176-173.20000108.1A306 A379 R380 E383A306-V308 PolarHBondContact O-N 3.21Å; V308-A379 HydrophobicContact CB-CB 4.45Å; V308-A379 HydrophobicContact CG1-CB 3.64Å; V308-R380 HydrophobicContact CG2-CG 3.84Å; V308-E383 HydrophobicContact CG1-CG 3.8Å
309S84.7Confident88.2Confident95 Ų9558.2 Ų58.266%0.66429%0.292SS*.PPolyproline II helixtrans-92.9124.1173.1173.50000109.2R382S309-R382 PolarHBondContact O-NH2 3.33Å
310A87.8Confident88.3Confident11 Ų1150.9 Ų50.99%0.09126%0.26CS..PPolyproline II helixtrans-78.1133.4174.800000110.6N294 M297 D314 I375N294-A310 PolarHBondContact ND2-O 3.43Å; M297-A310 HydrophobicContact CE-CB 3.76Å; A310-D314 HydrophobicContact CB-CB 4.36Å; A310-I375 HydrophobicContact CB-CG2 3.62Å
311T89.7Confident88.5Confident48 Ų4846.8 Ų46.829%0.29424%0.241SC..PPolyproline II helixtrans-92.5171.9172.464.60000110.4D313 D314 A315T311-D313 PolarHBondContact O-N 2.85Å; T311-D314 WeakPolarHBondContact CB-OD2 3.45Å; T311-D314 PolarHBondContact N-OD2 3.11Å; T311-D314 PolarHBondContact O-N 2.86Å; T311-D314 PolarHBondContact OG1-N 2.99Å; T311-D314 PolarHBondContact OG1-OD1 3.16Å; T311-D314 PolarHBondContact OG1-OD2 2.94Å; T311-A315 PolarHBondContact O-N 3.45Å; T311-A315 VanDerWaalsContact O-N 3.13Å
312G88.8Confident88.9Confident15 Ų1545.8 Ų45.816%0.15523%0.231CC..Hα-helixtrans-61-33.5173.900000113.1T290 A315 R316T290-G312 WeakPolarHBondContact OG1-CA 3.49Å; G312-A315 PolarHBondContact O-N 3.18Å; G312-R316 VanDerWaalsContact C-NH1 3.3Å; G312-R316 WeakPolarHBondContact O-CG 3.43Å; G312-R316 PolarHBondContact O-N 3.37Å; G312-R316 PolarHBondContact O-NE 3.45Å; G312-R316 PolarHBondContact O-NH1 2.79Å; G312-R316 PolarHBondContact O-NH2 3.41Å
313D87.6Confident89.2Confident53 Ų5343.2 Ų43.228%0.28322%0.221SC..Hα-helixtrans-69.8-40.5177.4-68.4-39.2000111.7T311 A315 R316 E317 R480T311-D313 PolarHBondContact O-N 2.85Å; D313-A315 PolarHBondContact O-N 3.38Å; D313-R316 PolarHBondContact O-N 2.98Å; D313-R316 VanDerWaalsContact O-N 3.09Å; D313-R316 IonicContact OD1-CZ 3.12Å; D313-R316 IonicContact OD1-NH2 2.77Å; D313-R316 PolarHBondContact OD1-NH2 2.66Å; D313-E317 PolarHBondContact O-N 3.23Å; D313-E317 VanDerWaalsContact O-N 3.09Å; D313-R480 IonicContact OD1-CZ 3.48Å; D313-R480 IonicContact OD1-NH1 2.85Å; D313-R480 PolarHBondContact OD1-NH1 2.93Å
314D91.7Very high89.9Confident8 Ų842 Ų424%0.04321%0.213CC..Hα-helixtrans-59.5-37.6174.5-54.7-38.8000110.7A310 T311 R316 I375 A378 A379 R382A310-D314 HydrophobicContact CB-CB 4.36Å; T311-D314 WeakPolarHBondContact CB-OD2 3.45Å; T311-D314 PolarHBondContact N-OD2 3.11Å; T311-D314 PolarHBondContact O-N 2.86Å; T311-D314 PolarHBondContact OG1-N 2.99Å; T311-D314 PolarHBondContact OG1-OD1 3.16Å; T311-D314 PolarHBondContact OG1-OD2 2.94Å; D314-R316 VanDerWaalsContact C-N 3.31Å; D314-R316 PolarHBondContact O-N 3.13Å; D314-I375 HydrophobicContact CB-CG2 4.31Å; D314-A378 HydrophobicContact CB-CB 4.32Å; D314-A379 HydrophobicContact CB-CB 4.16Å; D314-R382 WeakPolarHBondContact OD1-CD 3.35Å; D314-R382 IonicContact OD1-NE 3.97Å; D314-R382 PolarHBondContact OD1-NE 2.9Å; D314-R382 IonicContact OD2-CZ 2.6Å; D314-R382 IonicContact OD2-NE 3.24Å; D314-R382 PolarHBondContact OD2-NE 2.84Å; D314-R382 IonicContact OD2-NH2 3.97Å; D314-R382 PolarHBondContact OD2-NH2 3.41Å; D314-R382 VanDerWaalsContact OD2-NH2 3.12Å
315A93.1Very high90.5Very high0 Ų033.3 Ų33.30%018%0.175CC..Hα-helixtrans-67.8-27.7177.500000113.9W258 L293 T311 G312 D313 I375W258-A315 PolarHBondContact NE1-O 3.19Å; L293-A315 HydrophobicContact CD1-CB 3.92Å; T311-A315 PolarHBondContact O-N 3.45Å; T311-A315 VanDerWaalsContact O-N 3.13Å; G312-A315 PolarHBondContact O-N 3.18Å; D313-A315 PolarHBondContact O-N 3.38Å; A315-I375 HydrophobicContact CB-CD1 4.33Å
316R93.2Very high90.8Very high23 Ų2327.6 Ų27.69%0.08715%0.15CC..Hα-helixtrans-103.10.9-175.3-65.2-175.4-59.5-87.8-2.8113.8E264 M289 T290 G312 D313 D314 G318 L319E264-R316 HydrophobicContact CB-CB 4.43Å; E264-R316 VanDerWaalsContact CD-CD 3.5Å; E264-R316 HydrophobicContact CG-CB 3.98Å; E264-R316 VanDerWaalsContact OE1-CD 3.31Å; E264-R316 WeakPolarHBondContact OE1-CD 3.34Å; E264-R316 IonicContact OE1-NE 2.58Å; E264-R316 PolarHBondContact OE1-NE 3.46Å; E264-R316 WeakPolarHBondContact OE2-CB 3.48Å; E264-R316 IonicContact OE2-CZ 3.03Å; E264-R316 IonicContact OE2-NE 3.01Å; E264-R316 PolarHBondContact OE2-NE 2.91Å; M289-R316 HydrophobicContact SD-CG 3.87Å; T290-R316 PolarHBondContact OG1-NH1 3.06Å; G312-R316 VanDerWaalsContact C-NH1 3.3Å; G312-R316 WeakPolarHBondContact O-CG 3.43Å; G312-R316 PolarHBondContact O-N 3.37Å; G312-R316 PolarHBondContact O-NE 3.45Å; G312-R316 PolarHBondContact O-NH1 2.79Å; G312-R316 PolarHBondContact O-NH2 3.41Å; D313-R316 PolarHBondContact O-N 2.98Å; D313-R316 VanDerWaalsContact O-N 3.09Å; D313-R316 IonicContact OD1-CZ 3.12Å; D313-R316 IonicContact OD1-NH2 2.77Å; D313-R316 PolarHBondContact OD1-NH2 2.66Å; D314-R316 VanDerWaalsContact C-N 3.31Å; D314-R316 PolarHBondContact O-N 3.13Å; R316-G318 PolarHBondContact O-N 3.33Å; R316-L319 HydrophobicContact CB-CB 4.42Å; R316-L319 HydrophobicContact CB-CD2 4.18Å; R316-L319 HydrophobicContact CG-CD2 3.94Å; R316-L319 WeakPolarHBondContact O-CB 3.47Å; R316-L319 PolarHBondContact O-N 3.44Å; R316-L319 VanDerWaalsContact O-N 3.08Å
317E90.3Very high91.2Very high43 Ų4327.3 Ų27.320%0.20115%0.147CC..THydrogen-bonded Turntrans-60.4122.7176-172.1179.9103.900110.6F262 D313 L319 K374 A378F262-E317 HydrophobicContact CB-CG 4.35Å; F262-E317 HydrophobicContact CD1-CG 4.44Å; D313-E317 PolarHBondContact O-N 3.23Å; D313-E317 VanDerWaalsContact O-N 3.09Å; E317-L319 PolarHBondContact O-N 3.45Å; E317-K374 WeakPolarHBondContact O-CE 3.42Å; E317-A378 HydrophobicContact CB-CB 4.15Å; E317-A378 VanDerWaalsContact CD-CB 3.49Å; E317-A378 HydrophobicContact CG-CB 4.42Å; E317-A378 WeakPolarHBondContact OE2-CB 3.36Å
318G90.8Very high91.2Very high0 Ų021.8 Ų21.80%013%0.132CC..THydrogen-bonded Turntrans72.212.9-177.900000114.5W258 N259 G261 Q263 R316W258-G318 WeakPolarHBondContact CA-O 3.47Å; N259-G318 VanDerWaalsContact CG-O 3.29Å; N259-G318 PolarHBondContact N-O 3.28Å; N259-G318 PolarHBondContact ND2-O 3.33Å; N259-G318 PolarHBondContact OD1-O 3.5Å; G261-G318 WeakPolarHBondContact O-CA 3.5Å; Q263-G318 CarbonylContact O-C 3.55Å; Q263-G318 WeakPolarHBondContact O-CA 3.46Å; Q263-G318 PolarHBondContact O-N 3.16Å; Q263-G318 VanDerWaalsContact O-N 3.14Å; R316-G318 PolarHBondContact O-N 3.33Å
319L95.4Very high91.2Very high0 Ų025 Ų250%015%0.148CC..EExtended strand (participates in β ladder)trans-79.8130.2178.3178.970.9000110.8L256 W258 N265 I266 F285 M289 R316 E317 A321L256-L319 HydrophobicContact CB-CD1 3.98Å; L256-L319 HydrophobicContact CD1-CD1 3.89Å; L256-L319 HydrophobicContact CG-CD1 4.41Å; W258-L319 HydrophobicContact CD2-CD1 3.99Å; W258-L319 HydrophobicContact CE3-CD1 4.39Å; W258-L319 HydrophobicContact CG-CD1 4.44Å; W258-L319 HydrophobicContact CH2-CD1 4.36Å; W258-L319 HydrophobicContact CZ2-CD1 3.95Å; N265-L319 PolarHBondContact N-O 2.85Å; I266-L319 HydrophobicContact CD1-CD2 4.35Å; I266-L319 HydrophobicContact CG1-CD2 4.37Å; F285-L319 HydrophobicContact CE1-CD2 4.23Å; F285-L319 HydrophobicContact CZ-CD2 4.31Å; M289-L319 HydrophobicContact CE-CD1 4.15Å; M289-L319 HydrophobicContact CE-CD2 3.64Å; M289-L319 HydrophobicContact SD-CD2 3.51Å; M289-L319 VanDerWaalsContact SD-CD2 3.51Å; R316-L319 HydrophobicContact CB-CB 4.42Å; R316-L319 HydrophobicContact CB-CD2 4.18Å; R316-L319 HydrophobicContact CG-CD2 3.94Å; R316-L319 WeakPolarHBondContact O-CB 3.47Å; R316-L319 PolarHBondContact O-N 3.44Å; R316-L319 VanDerWaalsContact O-N 3.08Å; E317-L319 PolarHBondContact O-N 3.45Å; L319-A321 HydrophobicContact CD2-CB 4.45Å; L319-A321 HydrophobicContact CG-CB 4.37Å
320I95.5Very high91.4Very high1 Ų120.8 Ų20.81%0.00512%0.118CC..EExtended strand (participates in β ladder)trans-109.3129.7158.5-61.1-168.6000108.5V226 L229 N230 K233 L256 Q257 N265V226-I320 HydrophobicContact CG1-CG2 4.32Å; L229-I320 HydrophobicContact CB-CD1 4.03Å; L229-I320 HydrophobicContact CB-CG2 3.75Å; L229-I320 HydrophobicContact CD1-CG2 3.83Å; L229-I320 HydrophobicContact CG-CG2 4.45Å; L229-I320 WeakPolarHBondContact O-CD1 3.5Å; N230-I320 WeakPolarHBondContact OD1-CD1 2.9Å; K233-I320 HydrophobicContact CD-CD1 3.95Å; L256-I320 CarbonylContact C-O 3.56Å; L256-I320 WeakPolarHBondContact CA-O 3.31Å; L256-I320 WeakPolarHBondContact CB-O 3.43Å; Q257-I320 PolarHBondContact N-O 2.76Å; Q257-I320 PolarHBondContact O-N 2.9Å; N265-I320 HydrophobicContact CB-CG1 4.3Å; N265-I320 VanDerWaalsContact O-CA 3.31Å; N265-I320 WeakPolarHBondContact O-CA 3.46Å
321A97.1Very high91.5Very high0 Ų025.7 Ų25.70%014%0.137CC..EExtended strand (participates in β ladder)trans-141.3146.6175.600000112.2A255 L256 N265 I266 Y267 F285 L319A255-A321 CarbonylContact O-C 3.52Å; A255-A321 VanDerWaalsContact O-CA 3.27Å; A255-A321 WeakPolarHBondContact O-CA 3.43Å; L256-A321 HydrophobicContact CB-CB 3.65Å; N265-A321 PolarHBondContact O-N 2.77Å; I266-A321 CarbonylContact C-O 3.52Å; I266-A321 WeakPolarHBondContact CA-O 3.36Å; I266-A321 HydrophobicContact CG1-CB 4.26Å; I266-A321 HydrophobicContact CG2-CB 4.26Å; Y267-A321 PolarHBondContact N-O 3.22Å; F285-A321 HydrophobicContact CE1-CB 4.08Å; F285-A321 HydrophobicContact CE2-CB 4.37Å; F285-A321 HydrophobicContact CZ-CB 3.54Å; L319-A321 HydrophobicContact CD2-CB 4.45Å; L319-A321 HydrophobicContact CG-CB 4.37Å
322V97.1Very high91.5Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-118124.11681790000107.5I222 F225 V226 L229 V254 A255 Y267 F269I222-V322 HydrophobicContact CB-CB 4.19Å; I222-V322 HydrophobicContact CB-CG1 3.82Å; I222-V322 HydrophobicContact CD1-CG1 4.36Å; I222-V322 HydrophobicContact CG2-CG1 3.79Å; F225-V322 HydrophobicContact CB-CG2 4.33Å; F225-V322 HydrophobicContact CD1-CG1 4.2Å; F225-V322 HydrophobicContact CD1-CG2 3.83Å; F225-V322 HydrophobicContact CE1-CG2 4.35Å; F225-V322 HydrophobicContact CG-CG2 4.15Å; V226-V322 HydrophobicContact CG2-CB 4.3Å; V226-V322 HydrophobicContact CG2-CG2 3.85Å; L229-V322 HydrophobicContact CD1-CG2 3.95Å; V254-V322 WeakPolarHBondContact CA-O 3.33Å; A255-V322 PolarHBondContact N-O 2.92Å; A255-V322 PolarHBondContact O-N 2.89Å; Y267-V322 CarbonylContact O-C 3.56Å; Y267-V322 WeakPolarHBondContact O-CA 3.38Å; F269-V322 HydrophobicContact CD2-CG1 3.96Å; F269-V322 HydrophobicContact CE2-CG1 3.91Å
323V97.3Very high91.4Very high0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-117.5105.4179.2-177.50000107.7V254 I266 Y267 C268 F269 H281 F285V254-V323 HydrophobicContact CG2-CG1 4.22Å; V254-V323 HydrophobicContact CG2-CG2 4.48Å; I266-V323 HydrophobicContact CG2-CG2 4.13Å; Y267-V323 PolarHBondContact O-N 3.33Å; C268-V323 CarbonylContact C-O 2.94Å; C268-V323 WeakPolarHBondContact CA-O 3.37Å; F269-V323 PolarHBondContact N-O 2.8Å; H281-V323 HydrophobicContact CB-CG1 4.33Å; F285-V323 HydrophobicContact CB-CG2 4.19Å; F285-V323 HydrophobicContact CD1-CG2 4.15Å; F285-V323 HydrophobicContact CD2-CG2 3.7Å; F285-V323 HydrophobicContact CE1-CG2 4.47Å; F285-V323 HydrophobicContact CE2-CG2 4.04Å; F285-V323 HydrophobicContact CG-CG2 3.75Å; F285-V323 HydrophobicContact CZ-CG2 4.38Å
324S95.6Very high91.1Very high1 Ų127.6 Ų27.61%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-112.4123.5-179.1179.30000109.5E253 F269E253-S324 PolarHBondContact N-O 2.92Å; E253-S324 PolarHBondContact O-N 3.41Å; E253-S324 VanDerWaalsContact O-O 3.1Å; F269-S324 WeakPolarHBondContact O-CA 3.25Å
325V94.6Very high90.2Very high0 Ų030.3 Ų30.30%016%0.162CC..EExtended strand (participates in β ladder)trans-116.8144175.3-60.70000111G251 F269 T270 N271 H281 V327 L340 V345 V349G251-V325 CarbonylContact O-C 3.6Å; G251-V325 VanDerWaalsContact O-CA 3.24Å; G251-V325 WeakPolarHBondContact O-CA 3.39Å; F269-V325 WeakPolarHBondContact O-CG2 3.46Å; F269-V325 PolarHBondContact O-N 3.32Å; T270-V325 CarbonylContact C-O 3.57Å; T270-V325 WeakPolarHBondContact CA-O 3.32Å; T270-V325 HydrophobicContact CG2-CG2 4.01Å; N271-V325 PolarHBondContact N-O 2.76Å; H281-V325 HydrophobicContact CB-CG1 4.1Å; H281-V325 HydrophobicContact CB-CG2 4.43Å; V325-V327 HydrophobicContact CB-CG2 4.22Å; V325-V327 HydrophobicContact CG2-CG2 3.93Å; V325-L340 HydrophobicContact CG2-CD2 4.29Å; V325-V345 HydrophobicContact CB-CG1 4.42Å; V325-V345 HydrophobicContact CG1-CG1 4.09Å; V325-V345 HydrophobicContact CG2-CG1 4.18Å; V325-V349 HydrophobicContact CG1-CG2 3.74Å
326K91Very high89.1Confident42 Ų4233 Ų3318%0.18318%0.179CC..EExtended strand (participates in β ladder)trans-115.2109175.9-58.8-64.4-178.5165.40107.6V111 I250 G251 N271 N272V111-K326 HydrophobicContact CG1-CB 3.99Å; V111-K326 HydrophobicContact CG1-CD 4.03Å; V111-K326 HydrophobicContact CG2-CB 4.26Å; I250-K326 WeakPolarHBondContact CA-O 3.46Å; G251-K326 PolarHBondContact N-O 2.89Å; G251-K326 PolarHBondContact O-N 3.22Å; N271-K326 VanDerWaalsContact OD1-CA 3.31Å; N271-K326 WeakPolarHBondContact OD1-CA 3.48Å; N272-K326 PolarHBondContact OD1-NZ 3.34Å
327V90Very high88.7Confident4 Ų432.4 Ų32.42%0.02418%0.177CC..  trans-124.1128.4-170-1750000108.9I250 T270 N271 V325 P330 V345I250-V327 HydrophobicContact CG2-CG2 4.03Å; T270-V327 HydrophobicContact CG2-CB 4.41Å; T270-V327 HydrophobicContact CG2-CG2 4.15Å; N271-V327 PolarHBondContact ND2-O 2.98Å; N271-V327 PolarHBondContact OD1-N 2.86Å; N271-V327 PolarHBondContact OD1-O 2.8Å; V325-V327 HydrophobicContact CB-CG2 4.22Å; V325-V327 HydrophobicContact CG2-CG2 3.93Å; V327-P330 HydrophobicContact CB-CB 4.06Å; V327-P330 HydrophobicContact CB-CG 4.18Å; V327-P330 HydrophobicContact CG1-CB 4.1Å; V327-P330 HydrophobicContact CG1-CG 4.46Å; V327-P330 WeakPolarHBondContact O-CD 3.36Å; V327-V345 HydrophobicContact CG1-CG2 4.32Å; V327-V345 HydrophobicContact CG2-CG2 3.72Å
328P82Confident88.4Confident80 Ų8032.4 Ų32.452%0.51918%0.178SC..SBendtrans-61.5-45.6179.4-26.935.6000114.4
329D82.7Confident88.4Confident102 Ų10236.9 Ų36.955%0.54520%0.197SC..SBendtrans-128.673.8179.9-17935.9000111.2
330P88.6Confident88.4Confident6 Ų636.9 Ų36.94%0.03920%0.198CC..  trans-75.6135.4-178.216.4-6.8000111.9L115 T270 V327 F332 L340L115-P330 HydrophobicContact CD1-CG 3.94Å; L115-P330 WeakPolarHBondContact CD1-O 3.47Å; L115-P330 HydrophobicContact CD2-CG 4Å; T270-P330 HydrophobicContact CG2-CB 3.68Å; T270-P330 HydrophobicContact CG2-CG 4.06Å; V327-P330 HydrophobicContact CB-CB 4.06Å; V327-P330 HydrophobicContact CB-CG 4.18Å; V327-P330 HydrophobicContact CG1-CB 4.1Å; V327-P330 HydrophobicContact CG1-CG 4.46Å; V327-P330 WeakPolarHBondContact O-CD 3.36Å; P330-F332 HydrophobicContact CB-CE2 3.89Å; P330-F332 HydrophobicContact CB-CZ 3.93Å; P330-F332 HydrophobicContact CG-CE2 4.19Å; P330-F332 HydrophobicContact CG-CZ 4.36Å; P330-L340 HydrophobicContact CB-CD1 4.12Å
331K90Very high88.5Confident113 Ų11340.2 Ų40.249%0.49122%0.218SC..  trans-105.2129.7176.9-63.9172.3-173.8165.80110.3V341 S342K331-V341 HydrophobicContact CB-CG2 3.91Å; K331-V341 VanDerWaalsContact O-CG2 3.23Å; K331-V341 WeakPolarHBondContact O-CG2 3.17Å; K331-V341 PolarHBondContact O-N 2.9Å; K331-S342 PolarHBondContact N-OG 2.81Å; K331-S342 PolarHBondContact O-N 2.81Å
332F89.4Confident88.3Confident35 Ų3540.3 Ų40.315%0.15422%0.218CC..BIsolated β-bridgetrans-115.4159.6178.6-58.1-81.2000112.2L115 T270 Q275 P330 S334 K337 K339 L340L115-F332 HydrophobicContact CD1-CD2 4.46Å; L115-F332 HydrophobicContact CD1-CE2 3.98Å; T270-F332 HydrophobicContact CG2-CE1 4.38Å; T270-F332 HydrophobicContact CG2-CZ 3.97Å; Q275-F332 HydrophobicContact CG-CE1 4.24Å; P330-F332 HydrophobicContact CB-CE2 3.89Å; P330-F332 HydrophobicContact CB-CZ 3.93Å; P330-F332 HydrophobicContact CG-CE2 4.19Å; P330-F332 HydrophobicContact CG-CZ 4.36Å; F332-S334 VanDerWaalsContact C-N 3.26Å; F332-S334 PolarHBondContact O-N 2.63Å; F332-K337 HydrophobicContact CB-CB 4.31Å; F332-K337 HydrophobicContact CB-CG 4.44Å; F332-K337 HydrophobicContact CD1-CB 3.77Å; F332-K337 HydrophobicContact CD1-CG 4.44Å; F332-K337 HydrophobicContact CD2-CB 4.01Å; F332-K337 HydrophobicContact CD2-CD 4.2Å; F332-K337 HydrophobicContact CD2-CG 3.76Å; F332-K337 HydrophobicContact CE1-CB 4.04Å; F332-K337 HydrophobicContact CE2-CB 4.25Å; F332-K337 HydrophobicContact CE2-CD 4.02Å; F332-K337 HydrophobicContact CE2-CG 4.06Å; F332-K337 HydrophobicContact CG-CB 3.76Å; F332-K337 HydrophobicContact CG-CG 3.96Å; F332-K337 HydrophobicContact CZ-CB 4.27Å; F332-K337 HydrophobicContact CZ-CD 4.47Å; F332-K339 VanDerWaalsContact CA-O 3.32Å; F332-K339 WeakPolarHBondContact CA-O 3.3Å; F332-L340 HydrophobicContact CD1-CD1 4.31Å; F332-L340 HydrophobicContact CE1-CD1 3.95Å; F332-L340 HydrophobicContact CZ-CD1 4.42Å
333S86.9Confident88.1Confident70 Ų7044.6 Ų44.649%0.4925%0.248SC..SBendtrans-69-22.1177.657.90000114.4K339S333-K339 PolarHBondContact N-O 2.85Å; S333-K339 VanDerWaalsContact N-O 3.07Å; S333-K339 WeakPolarHBondContact OG-CB 3.14Å
334S80.5Confident88Confident51 Ų5148.6 Ų48.636%0.35727%0.267SS..SBendtrans-156.2167-173.657.30000110.1F332 T336 K337F332-S334 VanDerWaalsContact C-N 3.26Å; F332-S334 PolarHBondContact O-N 2.63Å; S334-T336 PolarHBondContact O-N 2.62Å; S334-T336 PolarHBondContact OG-OG1 3.48Å; S334-K337 PolarHBondContact O-N 3.36Å; S334-K337 VanDerWaalsContact O-N 3.09Å
335Q72.7Confident88Confident66 Ų6648.5 Ų48.531%0.30827%0.267SS..THydrogen-bonded Turntrans-65.4-23.8175.2179.156.126.500113K337Q335-K337 WeakPolarHBondContact O-CG 3.45Å; Q335-K337 PolarHBondContact O-N 3.03Å
336T70.5Confident88.1Confident56 Ų5652.8 Ų52.834%0.34429%0.285SS..THydrogen-bonded Turntrans-71.2-10.117456.20000113.2S334 D338S334-T336 PolarHBondContact O-N 2.62Å; S334-T336 PolarHBondContact OG-OG1 3.48Å; T336-D338 WeakPolarHBondContact CB-OD2 3.5Å; T336-D338 PolarHBondContact O-N 2.85Å; T336-D338 PolarHBondContact OG1-OD2 3.45Å
337K84Confident88.3Confident11 Ų1153.4 Ų53.45%0.04830%0.295CS..  trans60.825.2174.3-49.4176.2-163.6160.30114.8G113 I273 F332 S334 Q335 K339G113-K337 PolarHBondContact O-NZ 2.72Å; I273-K337 HydrophobicContact CD1-CD 3.52Å; I273-K337 HydrophobicContact CG2-CB 3.94Å; I273-K337 HydrophobicContact CG2-CD 4.09Å; F332-K337 HydrophobicContact CB-CB 4.31Å; F332-K337 HydrophobicContact CB-CG 4.44Å; F332-K337 HydrophobicContact CD1-CB 3.77Å; F332-K337 HydrophobicContact CD1-CG 4.44Å; F332-K337 HydrophobicContact CD2-CB 4.01Å; F332-K337 HydrophobicContact CD2-CD 4.2Å; F332-K337 HydrophobicContact CD2-CG 3.76Å; F332-K337 HydrophobicContact CE1-CB 4.04Å; F332-K337 HydrophobicContact CE2-CB 4.25Å; F332-K337 HydrophobicContact CE2-CD 4.02Å; F332-K337 HydrophobicContact CE2-CG 4.06Å; F332-K337 HydrophobicContact CG-CB 3.76Å; F332-K337 HydrophobicContact CG-CG 3.96Å; F332-K337 HydrophobicContact CZ-CB 4.27Å; F332-K337 HydrophobicContact CZ-CD 4.47Å; S334-K337 PolarHBondContact O-N 3.36Å; S334-K337 VanDerWaalsContact O-N 3.09Å; Q335-K337 WeakPolarHBondContact O-CG 3.45Å; Q335-K337 PolarHBondContact O-N 3.03Å; K337-K339 VanDerWaalsContact C-N 3.31Å; K337-K339 PolarHBondContact O-N 3.25Å
338D84.2Confident88.6Confident42 Ų4253.3 Ų53.323%0.22529%0.294CS..  trans-68.3-24.4-175.4-68.7-59.6000114.5Q275 R276 D277 T336Q275-D338 CarbonylContact C-O 3.59Å; Q275-D338 VanDerWaalsContact C-O 3.28Å; Q275-D338 VanDerWaalsContact CA-O 3.24Å; Q275-D338 WeakPolarHBondContact CA-O 3.36Å; Q275-D338 WeakPolarHBondContact CB-O 3.15Å; R276-D338 PolarHBondContact N-O 3.15Å; D277-D338 PolarHBondContact N-O 2.86Å; T336-D338 WeakPolarHBondContact CB-OD2 3.5Å; T336-D338 PolarHBondContact O-N 2.85Å; T336-D338 PolarHBondContact OG1-OD2 3.45Å
339K92.3Very high89.3Confident94 Ų9449.5 Ų49.541%0.40927%0.269SS..SBendtrans-136.4126.6-179.3-167176.4-178.1170.30113D277 G278 F332 S333 K337D277-K339 HydrophobicContact CB-CB 3.97Å; D277-K339 HydrophobicContact CB-CD 4.35Å; D277-K339 HydrophobicContact CB-CG 4.25Å; G278-K339 VanDerWaalsContact O-CA 3.32Å; G278-K339 WeakPolarHBondContact O-CA 3.43Å; F332-K339 VanDerWaalsContact CA-O 3.32Å; F332-K339 WeakPolarHBondContact CA-O 3.3Å; S333-K339 PolarHBondContact N-O 2.85Å; S333-K339 VanDerWaalsContact N-O 3.07Å; S333-K339 WeakPolarHBondContact OG-CB 3.14Å; K337-K339 VanDerWaalsContact C-N 3.31Å; K337-K339 PolarHBondContact O-N 3.25Å
340L95.3Very high90Very high1 Ų146.4 Ų46.41%0.00525%0.252CS..BIsolated β-bridgetrans-79.7128.9174.3-175.170.2000111.1T270 Q275 G278 G279 T280 H281 V325 P330 F332 V345T270-L340 HydrophobicContact CG2-CD1 4.03Å; Q275-L340 HydrophobicContact CG-CB 4.27Å; G278-L340 PolarHBondContact O-N 2.85Å; G278-L340 VanDerWaalsContact O-N 3.09Å; G279-L340 WeakPolarHBondContact CA-O 3.44Å; T280-L340 PolarHBondContact N-O 3.04Å; T280-L340 WeakPolarHBondContact OG1-CD2 3.35Å; T280-L340 WeakPolarHBondContact OG1-CG 3.22Å; H281-L340 HydrophobicContact CB-CD2 4.14Å; V325-L340 HydrophobicContact CG2-CD2 4.29Å; P330-L340 HydrophobicContact CB-CD1 4.12Å; F332-L340 HydrophobicContact CD1-CD1 4.31Å; F332-L340 HydrophobicContact CE1-CD1 3.95Å; F332-L340 HydrophobicContact CZ-CD1 4.42Å; L340-V345 HydrophobicContact CD2-CB 4.11Å; L340-V345 HydrophobicContact CD2-CG1 3.79Å; L340-V345 HydrophobicContact CD2-CG2 4.15Å
341V95.9Very high90.3Very high71 Ų7150.1 Ų50.143%0.4327%0.268SS..  trans-119.5-1.3-179.7-59.70000114.2K331 S343K331-V341 HydrophobicContact CB-CG2 3.91Å; K331-V341 VanDerWaalsContact O-CG2 3.23Å; K331-V341 WeakPolarHBondContact O-CG2 3.17Å; K331-V341 PolarHBondContact O-N 2.9Å; V341-S343 PolarHBondContact O-N 3.29Å; V341-S343 VanDerWaalsContact O-N 3.1Å
342S93.9Very high90.6Very high1 Ų145.6 Ų45.61%0.00725%0.249CC..  trans-58110.1172-74.40000111.7T280 K331 E344 V345T280-S342 WeakPolarHBondContact CB-O 3.49Å; T280-S342 WeakPolarHBondContact CG2-O 3.34Å; T280-S342 PolarHBondContact OG1-O 3.27Å; K331-S342 PolarHBondContact N-OG 2.81Å; K331-S342 PolarHBondContact O-N 2.81Å; S342-E344 VanDerWaalsContact CB-OE1 3.3Å; S342-E344 WeakPolarHBondContact CB-OE1 3.28Å; S342-E344 PolarHBondContact O-N 3.14Å; S342-E344 PolarHBondContact OG-OE1 2.93Å; S342-V345 PolarHBondContact O-N 3.01Å
343S93.4Very high91Very high90 Ų9044 Ų4463%0.62924%0.242SC*.Hα-helixtrans-66.2-37-171.250.10000114.2V341 V345 K346V341-S343 PolarHBondContact O-N 3.29Å; V341-S343 VanDerWaalsContact O-N 3.1Å; S343-V345 VanDerWaalsContact C-N 3.26Å; S343-V345 PolarHBondContact O-N 3.23Å; S343-K346 WeakPolarHBondContact O-CB 3.35Å; S343-K346 PolarHBondContact O-N 3.08Å
344E94.6Very high91.4Very high84 Ų8442.9 Ų42.939%0.39323%0.231SC..Hα-helixtrans-60.9-34-179.854.9-79.3-177.400112I250 S342 K346 S347 A348I250-E344 HydrophobicContact CD1-CB 4.34Å; I250-E344 HydrophobicContact CD1-CG 4.02Å; S342-E344 VanDerWaalsContact CB-OE1 3.3Å; S342-E344 WeakPolarHBondContact CB-OE1 3.28Å; S342-E344 PolarHBondContact O-N 3.14Å; S342-E344 PolarHBondContact OG-OE1 2.93Å; E344-K346 VanDerWaalsContact C-N 3.29Å; E344-K346 PolarHBondContact O-N 3.39Å; E344-S347 PolarHBondContact O-N 2.73Å; E344-A348 PolarHBondContact O-N 3.01Å
345V96Very high92.1Very high0 Ų045.5 Ų45.50%024%0.237CC..Hα-helixtrans-62.8-36.3178.9-1800000111.6I250 H281 V325 V327 L340 S342 S343 S347 A348 V349I250-V345 HydrophobicContact CD1-CG2 4.13Å; H281-V345 HydrophobicContact CB-CG1 3.86Å; V325-V345 HydrophobicContact CB-CG1 4.42Å; V325-V345 HydrophobicContact CG1-CG1 4.09Å; V325-V345 HydrophobicContact CG2-CG1 4.18Å; V327-V345 HydrophobicContact CG1-CG2 4.32Å; V327-V345 HydrophobicContact CG2-CG2 3.72Å; L340-V345 HydrophobicContact CD2-CB 4.11Å; L340-V345 HydrophobicContact CD2-CG1 3.79Å; L340-V345 HydrophobicContact CD2-CG2 4.15Å; S342-V345 PolarHBondContact O-N 3.01Å; S343-V345 VanDerWaalsContact C-N 3.26Å; S343-V345 PolarHBondContact O-N 3.23Å; V345-S347 VanDerWaalsContact C-N 3.35Å; V345-S347 PolarHBondContact O-N 3.31Å; V345-A348 PolarHBondContact O-N 3.5Å; V345-V349 HydrophobicContact CG1-CG2 4.03Å; V345-V349 WeakPolarHBondContact O-CG2 2.98Å; V345-V349 PolarHBondContact O-N 3.39Å
346K96.2Very high93.3Very high90 Ų9044.3 Ų44.339%0.39123%0.233SC..Hα-helixtrans-57.7-50178.4-177.3-174.5172.2-172.40110.7T280 S343 E344 E350T280-K346 WeakPolarHBondContact O-CA 3.49Å; S343-K346 WeakPolarHBondContact O-CB 3.35Å; S343-K346 PolarHBondContact O-N 3.08Å; E344-K346 VanDerWaalsContact C-N 3.29Å; E344-K346 PolarHBondContact O-N 3.39Å; K346-E350 WeakPolarHBondContact CE-OE2 3.46Å; K346-E350 WeakPolarHBondContact O-CB 3.28Å; K346-E350 PolarHBondContact O-N 2.65Å
347S95.7Very high94.6Very high55 Ų5541.6 Ų41.639%0.38522%0.216SC..Hα-helixtrans-65.7-42.7-177.5-175.60000111.6E344 V345 E350 Q351E344-S347 PolarHBondContact O-N 2.73Å; V345-S347 VanDerWaalsContact C-N 3.35Å; V345-S347 PolarHBondContact O-N 3.31Å; S347-E350 PolarHBondContact O-N 3.07Å; S347-Q351 WeakPolarHBondContact O-CB 3.32Å; S347-Q351 VanDerWaalsContact O-CG 3.28Å; S347-Q351 WeakPolarHBondContact O-CG 3.47Å; S347-Q351 PolarHBondContact O-N 2.94Å; S347-Q351 PolarHBondContact OG-NE2 2.85Å
348A96.1Very high95.1Very high1 Ų143 Ų431%0.00823%0.23CC..Hα-helixtrans-60.1-51.9178.500000111.7K247 I250 V252 E344 V345 E350 Q351 Q352K247-A348 HydrophobicContact CB-CB 4.24Å; K247-A348 HydrophobicContact CG-CB 4.18Å; I250-A348 HydrophobicContact CB-CB 4.42Å; I250-A348 HydrophobicContact CD1-CB 4.1Å; V252-A348 HydrophobicContact CG2-CB 4.46Å; E344-A348 PolarHBondContact O-N 3.01Å; V345-A348 PolarHBondContact O-N 3.5Å; A348-E350 PolarHBondContact O-N 2.93Å; A348-Q351 PolarHBondContact O-N 3.3Å; A348-Q352 WeakPolarHBondContact O-CG 3.42Å; A348-Q352 PolarHBondContact O-N 3.44Å
349V97.2Very high95.7Very high0 Ų045.2 Ų45.20%024%0.239CC..Hα-helixtrans-62-45.1178.1175.50000111V252 H281 F285 V325 V345 Q351 M353V252-V349 HydrophobicContact CG1-CG2 4.03Å; V252-V349 HydrophobicContact CG2-CG2 4.13Å; H281-V349 HydrophobicContact CB-CG2 4.22Å; F285-V349 HydrophobicContact CB-CG1 4.06Å; V325-V349 HydrophobicContact CG1-CG2 3.74Å; V345-V349 HydrophobicContact CG1-CG2 4.03Å; V345-V349 WeakPolarHBondContact O-CG2 2.98Å; V345-V349 PolarHBondContact O-N 3.39Å; V349-Q351 PolarHBondContact O-N 2.9Å; V349-M353 WeakPolarHBondContact O-CB 3.37Å; V349-M353 PolarHBondContact O-N 3.27Å
350E96.5Very high95.9Very high38 Ų3841.9 Ų41.918%0.17822%0.224CC..Hα-helixtrans-62.6-42.1-177.2-173.5171.217300112.5A288 R291 K346 S347 A348 N354A288-E350 HydrophobicContact CB-CG 4.24Å; A288-E350 WeakPolarHBondContact CB-O 3.25Å; R291-E350 IonicContact CZ-OE1 3.15Å; R291-E350 IonicContact NH1-OE1 3.71Å; R291-E350 PolarHBondContact NH1-OE1 3.14Å; R291-E350 VanDerWaalsContact NH2-CD 3.3Å; R291-E350 IonicContact NH2-OE1 3.94Å; R291-E350 PolarHBondContact NH2-OE1 3.07Å; K346-E350 WeakPolarHBondContact CE-OE2 3.46Å; K346-E350 WeakPolarHBondContact O-CB 3.28Å; K346-E350 PolarHBondContact O-N 2.65Å; S347-E350 PolarHBondContact O-N 3.07Å; A348-E350 PolarHBondContact O-N 2.93Å; E350-N354 WeakPolarHBondContact O-CB 3.38Å; E350-N354 PolarHBondContact O-N 3.32Å; E350-N354 VanDerWaalsContact O-N 3.09Å; E350-N354 PolarHBondContact O-ND2 2.68Å
351Q95.7Very high95.9Very high83 Ų8341.9 Ų41.939%0.38822%0.224SC..Hα-helixtrans-66.9-51.8178.2-72.5176.716.600112.1S347 A348 V349 M353 N354 E355S347-Q351 WeakPolarHBondContact O-CB 3.32Å; S347-Q351 VanDerWaalsContact O-CG 3.28Å; S347-Q351 WeakPolarHBondContact O-CG 3.47Å; S347-Q351 PolarHBondContact O-N 2.94Å; S347-Q351 PolarHBondContact OG-NE2 2.85Å; A348-Q351 PolarHBondContact O-N 3.3Å; V349-Q351 PolarHBondContact O-N 2.9Å; Q351-M353 VanDerWaalsContact C-N 3.34Å; Q351-M353 PolarHBondContact O-N 2.99Å; Q351-N354 PolarHBondContact O-N 2.74Å; Q351-E355 PolarHBondContact O-N 3.21Å; Q351-E355 VanDerWaalsContact O-N 3.17Å
352Q96.4Very high95.9Very high19 Ų1943.1 Ų43.19%0.08923%0.228CC..Hα-helixtrans-63.7-41.4-177.9-65-59.2-73.800111.7F243 T245 K247 A348 N354 E355 L356F243-Q352 HydrophobicContact CE2-CB 4.07Å; F243-Q352 HydrophobicContact CZ-CB 4.34Å; T245-Q352 HydrophobicContact CG2-CB 3.87Å; T245-Q352 HydrophobicContact CG2-CG 3.6Å; T245-Q352 PolarHBondContact OG1-OE1 2.83Å; K247-Q352 HydrophobicContact CB-CG 3.98Å; K247-Q352 HydrophobicContact CG-CG 4.45Å; A348-Q352 WeakPolarHBondContact O-CG 3.42Å; A348-Q352 PolarHBondContact O-N 3.44Å; Q352-N354 PolarHBondContact O-N 2.86Å; Q352-E355 PolarHBondContact O-N 3.41Å; Q352-L356 HydrophobicContact CB-CD1 4.49Å; Q352-L356 WeakPolarHBondContact O-CB 3.37Å; Q352-L356 WeakPolarHBondContact O-CG 3.37Å; Q352-L356 PolarHBondContact O-N 2.85Å
353M96.6Very high95.9Very high0 Ų050.2 Ų50.20%026%0.26CS..Hα-helixtrans-65.6-38176.8-170.676.2-119.500112.2F241 F243 V254 L256 F285 A288 V349 Q351 L357F241-M353 HydrophobicContact CD1-CE 4.05Å; F241-M353 HydrophobicContact CE1-CE 3.16Å; F241-M353 HydrophobicContact CE1-SD 4.18Å; F241-M353 HydrophobicContact CZ-CE 3.54Å; F243-M353 HydrophobicContact CE1-CE 4.19Å; F243-M353 HydrophobicContact CE1-SD 3.81Å; F243-M353 HydrophobicContact CZ-SD 4.25Å; V254-M353 HydrophobicContact CG1-SD 4.05Å; L256-M353 HydrophobicContact CD2-CE 4.03Å; F285-M353 HydrophobicContact CD2-CG 4.24Å; F285-M353 HydrophobicContact CD2-SD 3.61Å; F285-M353 HydrophobicContact CE2-SD 3.7Å; A288-M353 HydrophobicContact CB-CB 3.63Å; A288-M353 HydrophobicContact CB-CG 3.66Å; V349-M353 WeakPolarHBondContact O-CB 3.37Å; V349-M353 PolarHBondContact O-N 3.27Å; Q351-M353 VanDerWaalsContact C-N 3.34Å; Q351-M353 PolarHBondContact O-N 2.99Å; M353-L357 HydrophobicContact CE-CB 3.58Å; M353-L357 HydrophobicContact CE-CD1 4.09Å; M353-L357 HydrophobicContact CE-CD2 3.82Å; M353-L357 HydrophobicContact CE-CG 4.01Å; M353-L357 WeakPolarHBondContact O-CB 3.3Å; M353-L357 PolarHBondContact O-N 3.01Å
354N95.6Very high96Very high48 Ų4847.8 Ų47.826%0.25724%0.241SC..Hα-helixtrans-63.3-47.4177.4-76.7-33.7000111.7A288 T292 E350 Q351 Q352 A358A288-N354 WeakPolarHBondContact CA-OD1 3.37Å; A288-N354 VanDerWaalsContact CB-OD1 3.24Å; A288-N354 WeakPolarHBondContact CB-OD1 3.45Å; A288-N354 PolarHBondContact O-OD1 2.91Å; T292-N354 WeakPolarHBondContact OG1-CA 3.35Å; T292-N354 PolarHBondContact OG1-OD1 3.09Å; E350-N354 WeakPolarHBondContact O-CB 3.38Å; E350-N354 PolarHBondContact O-N 3.32Å; E350-N354 VanDerWaalsContact O-N 3.09Å; E350-N354 PolarHBondContact O-ND2 2.68Å; Q351-N354 PolarHBondContact O-N 2.74Å; Q352-N354 PolarHBondContact O-N 2.86Å; N354-A358 VanDerWaalsContact O-CB 3.3Å; N354-A358 WeakPolarHBondContact O-CB 3.11Å; N354-A358 PolarHBondContact O-N 2.92Å
355E96.1Very high96Very high105 Ų10547.3 Ų47.349%0.49125%0.245SC..Hα-helixtrans-67.3-59.4-176.5-179172.5-165.900111.2Q351 Q352 L357 A358 E359Q351-E355 PolarHBondContact O-N 3.21Å; Q351-E355 VanDerWaalsContact O-N 3.17Å; Q352-E355 PolarHBondContact O-N 3.41Å; E355-L357 PolarHBondContact O-N 3.42Å; E355-A358 WeakPolarHBondContact O-CB 3.42Å; E355-A358 PolarHBondContact O-N 2.59Å; E355-A358 VanDerWaalsContact O-N 3.13Å; E355-E359 PolarHBondContact O-N 2.58Å; E355-E359 VanDerWaalsContact O-N 3.08Å
356L97.2Very high96Very high41 Ų4152 Ų5222%0.21527%0.274CS..Hα-helixtrans-71-31.9-171.6-62.9168.2000112.5F241 F243 T245 Q352 Y360F241-L356 WeakPolarHBondContact CE2-O 3.13Å; F241-L356 HydrophobicContact CZ-CB 4.31Å; F243-L356 HydrophobicContact CB-CD1 3.75Å; F243-L356 HydrophobicContact CD1-CB 4.16Å; F243-L356 HydrophobicContact CD1-CD1 3.99Å; F243-L356 HydrophobicContact CD2-CD1 3.39Å; F243-L356 HydrophobicContact CE1-CD1 4.41Å; F243-L356 HydrophobicContact CE2-CD1 3.9Å; F243-L356 HydrophobicContact CG-CB 4.37Å; F243-L356 HydrophobicContact CG-CD1 3.44Å; F243-L356 VanDerWaalsContact CG-CD1 3.44Å; F243-L356 HydrophobicContact CZ-CD1 4.38Å; T245-L356 HydrophobicContact CG2-CD1 4.29Å; Q352-L356 HydrophobicContact CB-CD1 4.49Å; Q352-L356 WeakPolarHBondContact O-CB 3.37Å; Q352-L356 WeakPolarHBondContact O-CG 3.37Å; Q352-L356 PolarHBondContact O-N 2.85Å; L356-Y360 WeakPolarHBondContact O-CB 3.47Å; L356-Y360 PolarHBondContact O-N 2.77Å
357L96.7Very high95.9Very high0 Ų048 Ų480%026%0.257CS..Hα-helixtrans-68.6-38.1172.8-174.459.5000111.8F241 T292 L293 M353 E355 E359 Y360 L361F241-L357 HydrophobicContact CD2-CD1 4.17Å; F241-L357 HydrophobicContact CE1-CD1 4.49Å; F241-L357 HydrophobicContact CE2-CB 4.37Å; F241-L357 HydrophobicContact CE2-CD1 4.08Å; F241-L357 HydrophobicContact CG-CD1 4.38Å; F241-L357 HydrophobicContact CZ-CB 4.1Å; F241-L357 HydrophobicContact CZ-CD1 4.21Å; T292-L357 HydrophobicContact CG2-CB 4Å; T292-L357 HydrophobicContact CG2-CD2 3.97Å; T292-L357 HydrophobicContact CG2-CG 3.9Å; L293-L357 HydrophobicContact CG-CD2 4.44Å; M353-L357 HydrophobicContact CE-CB 3.58Å; M353-L357 HydrophobicContact CE-CD1 4.09Å; M353-L357 HydrophobicContact CE-CD2 3.82Å; M353-L357 HydrophobicContact CE-CG 4.01Å; M353-L357 WeakPolarHBondContact O-CB 3.3Å; M353-L357 PolarHBondContact O-N 3.01Å; E355-L357 PolarHBondContact O-N 3.42Å; L357-E359 VanDerWaalsContact C-N 3.32Å; L357-Y360 HydrophobicContact CD1-CD1 4.26Å; L357-Y360 PolarHBondContact O-N 3.07Å; L357-L361 HydrophobicContact CD1-CG 4.35Å; L357-L361 HydrophobicContact CG-CD1 4.15Å; L357-L361 HydrophobicContact CG-CG 4.41Å; L357-L361 WeakPolarHBondContact O-CG 3.2Å; L357-L361 PolarHBondContact O-N 3.09Å
358A96.3Very high95.9Very high39 Ų3945.4 Ų45.432%0.32224%0.238SC..Hα-helixtrans-64.7-40.717800000111T292 N354 E355 L362T292-A358 HydrophobicContact CG2-CB 3.94Å; N354-A358 VanDerWaalsContact O-CB 3.3Å; N354-A358 WeakPolarHBondContact O-CB 3.11Å; N354-A358 PolarHBondContact O-N 2.92Å; E355-A358 WeakPolarHBondContact O-CB 3.42Å; E355-A358 PolarHBondContact O-N 2.59Å; E355-A358 VanDerWaalsContact O-N 3.13Å; A358-L362 WeakPolarHBondContact O-CG 3.39Å; A358-L362 PolarHBondContact O-N 3.24Å
359E96.1Very high95.9Very high90 Ų9051.7 Ų51.742%0.42127%0.266SS..Hα-helixtrans-60.5-51.9172.8-69.5178.6173.300111.4E355 L357 L361 L362 E363E355-E359 PolarHBondContact O-N 2.58Å; E355-E359 VanDerWaalsContact O-N 3.08Å; L357-E359 VanDerWaalsContact C-N 3.32Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 3.17Å; E359-L362 WeakPolarHBondContact O-CB 3.39Å; E359-L362 PolarHBondContact O-N 2.78Å; E359-E363 WeakPolarHBondContact O-CG 3.41Å; E359-E363 PolarHBondContact O-N 3.31Å
360Y96.3Very high95.8Very high23 Ų2355 Ų559%0.0928%0.282CS..Hα-helixtrans-56.1-42.2178.7169-94.6000113.3N239 F241 L356 L357 L362 E363 N364 D367N239-Y360 PolarHBondContact O-OH 3.46Å; F241-Y360 HydrophobicContact CB-CD1 4.42Å; F241-Y360 HydrophobicContact CB-CD2 4.39Å; F241-Y360 HydrophobicContact CB-CE1 4.23Å; F241-Y360 HydrophobicContact CB-CE2 4.18Å; F241-Y360 VanDerWaalsContact CD2-CB 3.48Å; F241-Y360 AromaticContact CD2-CD1 3.75Å; F241-Y360 HydrophobicContact CD2-CD1 3.75Å; F241-Y360 AromaticContact CD2-CD2 3.67Å; F241-Y360 HydrophobicContact CD2-CD2 3.67Å; F241-Y360 HydrophobicContact CD2-CE1 4.38Å; F241-Y360 HydrophobicContact CD2-CE2 4.3Å; F241-Y360 AromaticContact CD2-CG 3.36Å; F241-Y360 HydrophobicContact CD2-CG 3.36Å; F241-Y360 HydrophobicContact CE2-CD1 4.49Å; F241-Y360 AromaticContact CE2-CG 3.98Å; F241-Y360 HydrophobicContact CE2-CG 3.98Å; F241-Y360 HydrophobicContact CG-CD1 4.45Å; F241-Y360 HydrophobicContact CG-CG 4.36Å; L356-Y360 WeakPolarHBondContact O-CB 3.47Å; L356-Y360 PolarHBondContact O-N 2.77Å; L357-Y360 HydrophobicContact CD1-CD1 4.26Å; L357-Y360 PolarHBondContact O-N 3.07Å; Y360-L362 VanDerWaalsContact C-N 3.26Å; Y360-L362 PolarHBondContact O-N 2.8Å; Y360-E363 PolarHBondContact O-N 3.27Å; Y360-N364 HydrophobicContact CD2-CB 4.43Å; Y360-N364 WeakPolarHBondContact CD2-ND2 3.26Å; Y360-N364 HydrophobicContact CE2-CB 4.15Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.47Å; Y360-N364 WeakPolarHBondContact O-CB 3.32Å; Y360-N364 PolarHBondContact O-N 3Å; Y360-N364 PolarHBondContact O-ND2 2.75Å; Y360-N364 VanDerWaalsContact O-ND2 3.08Å; Y360-D367 PolarHBondContact OH-OD2 2.86Å
361L95.6Very high95.7Very high2 Ų253.2 Ų53.21%0.0127%0.274CS..Hα-helixtrans-66.4-27.9179.4-69.2169.9000112.7T292 L293 Y296 L357 E359 A368T292-L361 HydrophobicContact CG2-CD1 4.1Å; L293-L361 HydrophobicContact CD2-CD1 4.01Å; L293-L361 HydrophobicContact CD2-CD2 4.2Å; Y296-L361 HydrophobicContact CD1-CD1 4.48Å; Y296-L361 HydrophobicContact CD2-CB 3.67Å; Y296-L361 HydrophobicContact CD2-CD1 4.12Å; Y296-L361 HydrophobicContact CD2-CG 4.49Å; Y296-L361 HydrophobicContact CE2-CB 3.63Å; Y296-L361 WeakPolarHBondContact CE2-O 3.44Å; Y296-L361 HydrophobicContact CG-CB 4.21Å; Y296-L361 HydrophobicContact CG-CD1 3.93Å; Y296-L361 PolarHBondContact OH-O 3.46Å; Y296-L361 VanDerWaalsContact OH-O 3.11Å; L357-L361 HydrophobicContact CD1-CG 4.35Å; L357-L361 HydrophobicContact CG-CD1 4.15Å; L357-L361 HydrophobicContact CG-CG 4.41Å; L357-L361 WeakPolarHBondContact O-CG 3.2Å; L357-L361 PolarHBondContact O-N 3.09Å; E359-L361 VanDerWaalsContact C-N 3.31Å; E359-L361 PolarHBondContact O-N 3.17Å; L361-A368 HydrophobicContact CB-CB 4.33Å; L361-A368 HydrophobicContact CD2-CB 3.69Å
362L94.8Very high95.7Very high97 Ų9749.3 Ų49.351%0.50826%0.256SS..Hα-helixtrans-80.6-38.8174.9-69171.5000111.7Y296 A358 E359 Y360Y296-L362 HydrophobicContact CE2-CD2 4.25Å; A358-L362 WeakPolarHBondContact O-CG 3.39Å; A358-L362 PolarHBondContact O-N 3.24Å; E359-L362 WeakPolarHBondContact O-CB 3.39Å; E359-L362 PolarHBondContact O-N 2.78Å; Y360-L362 VanDerWaalsContact C-N 3.26Å; Y360-L362 PolarHBondContact O-N 2.8Å
363E95.4Very high95.6Very high149 Ų14949.7 Ų49.770%0.69627%0.265SS*.Hα-helixtrans-74.5-29.3179.4-69.1-177.7167.400113E359 Y360 P365E359-E363 WeakPolarHBondContact O-CG 3.41Å; E359-E363 PolarHBondContact O-N 3.31Å; Y360-E363 PolarHBondContact O-N 3.27Å; E363-P365 WeakPolarHBondContact O-CD 3.25Å
364N95.3Very high95.4Very high40 Ų4051 Ų5121%0.21427%0.271CS..  trans-118.863.2-176.5-58.5-85.2000111.6Y360 T366 D367 A368Y360-N364 HydrophobicContact CD2-CB 4.43Å; Y360-N364 WeakPolarHBondContact CD2-ND2 3.26Å; Y360-N364 HydrophobicContact CE2-CB 4.15Å; Y360-N364 WeakPolarHBondContact CE2-ND2 3.47Å; Y360-N364 WeakPolarHBondContact O-CB 3.32Å; Y360-N364 PolarHBondContact O-N 3Å; Y360-N364 PolarHBondContact O-ND2 2.75Å; Y360-N364 VanDerWaalsContact O-ND2 3.08Å; N364-T366 VanDerWaalsContact C-N 3.25Å; N364-T366 PolarHBondContact O-N 3.27Å; N364-D367 HydrophobicContact CB-CB 4.17Å; N364-D367 PolarHBondContact O-N 2.99Å; N364-D367 VanDerWaalsContact O-N 3.16Å; N364-A368 WeakPolarHBondContact O-CB 3.23Å; N364-A368 PolarHBondContact O-N 2.9Å
365P94.3Very high95.3Very high74 Ų7448.7 Ų48.748%0.48126%0.259SS..Hα-helixtrans-63.9-27.8-173.125.7-35.4000113.6E363 K369E363-P365 WeakPolarHBondContact O-CD 3.25Å; P365-K369 VanDerWaalsContact O-CB 3.28Å; P365-K369 WeakPolarHBondContact O-CB 3.23Å; P365-K369 PolarHBondContact O-N 3.18Å
366T95.4Very high95.1Very high99 Ų9944.8 Ų44.861%0.60724%0.241SC*.Hα-helixtrans-64.9-48.7175.3-55.70000110.9N364 K369 I370N364-T366 VanDerWaalsContact C-N 3.25Å; N364-T366 PolarHBondContact O-N 3.27Å; T366-K369 PolarHBondContact O-N 2.78Å; T366-I370 HydrophobicContact CG2-CD1 4.43Å; T366-I370 WeakPolarHBondContact O-CG1 3.32Å; T366-I370 PolarHBondContact O-N 3.36Å
367D95.5Very high94.8Very high6 Ų647.1 Ų47.13%0.03225%0.253CS..Hα-helixtrans-67.3-45.5180-64.212.3000110H237 N239 Y360 N364 K369 I370 V371H237-D367 HydrophobicContact CB-CB 4.07Å; H237-D367 IonicContact ND1-OD2 3.3Å; N239-D367 WeakPolarHBondContact CB-OD2 3.18Å; N239-D367 PolarHBondContact N-OD2 2.91Å; N239-D367 PolarHBondContact ND2-OD2 3.32Å; Y360-D367 PolarHBondContact OH-OD2 2.86Å; N364-D367 HydrophobicContact CB-CB 4.17Å; N364-D367 PolarHBondContact O-N 2.99Å; N364-D367 VanDerWaalsContact O-N 3.16Å; D367-K369 VanDerWaalsContact C-N 3.29Å; D367-K369 PolarHBondContact O-N 3.27Å; D367-I370 PolarHBondContact O-N 2.78Å; D367-I370 VanDerWaalsContact O-N 3.09Å; D367-V371 WeakPolarHBondContact O-CG2 3.39Å; D367-V371 PolarHBondContact O-N 3.06Å
368A95.3Very high94.4Very high0 Ų047.1 Ų47.10%025%0.254CS..Hα-helixtrans-55.3-43.9175.800000111.9Y296 L361 N364 I370 V371 V372Y296-A368 HydrophobicContact CE1-CB 3.85Å; Y296-A368 WeakPolarHBondContact OH-CB 3.36Å; L361-A368 HydrophobicContact CB-CB 4.33Å; L361-A368 HydrophobicContact CD2-CB 3.69Å; N364-A368 WeakPolarHBondContact O-CB 3.23Å; N364-A368 PolarHBondContact O-N 2.9Å; A368-I370 PolarHBondContact O-N 2.81Å; A368-V371 PolarHBondContact O-N 3.34Å; A368-V372 VanDerWaalsContact O-CB 3.3Å; A368-V372 WeakPolarHBondContact O-CB 3.47Å; A368-V372 WeakPolarHBondContact O-CG2 3.13Å; A368-V372 PolarHBondContact O-N 2.97Å
369K95Very high94.1Very high133 Ų13345.4 Ų45.458%0.57824%0.239SC*.Hα-helixtrans-63.3-40177.3-177.2-179.4177-174.20112.6P365 T366 D367 G373P365-K369 VanDerWaalsContact O-CB 3.28Å; P365-K369 WeakPolarHBondContact O-CB 3.23Å; P365-K369 PolarHBondContact O-N 3.18Å; T366-K369 PolarHBondContact O-N 2.78Å; D367-K369 VanDerWaalsContact C-N 3.29Å; D367-K369 PolarHBondContact O-N 3.27Å; K369-G373 PolarHBondContact O-N 2.87Å
370I95.5Very high93.7Very high68 Ų6846.8 Ų46.835%0.34924%0.241SC..Hα-helixtrans-66.7-48.4177.8-65.5165000110.3I236 T366 D367 A368 G373 K374I236-I370 HydrophobicContact CB-CG2 3.89Å; I236-I370 HydrophobicContact CD1-CG2 3.95Å; I236-I370 HydrophobicContact CG1-CG2 3.79Å; I236-I370 WeakPolarHBondContact O-CG2 3.48Å; T366-I370 HydrophobicContact CG2-CD1 4.43Å; T366-I370 WeakPolarHBondContact O-CG1 3.32Å; T366-I370 PolarHBondContact O-N 3.36Å; D367-I370 PolarHBondContact O-N 2.78Å; D367-I370 VanDerWaalsContact O-N 3.09Å; A368-I370 PolarHBondContact O-N 2.81Å; I370-G373 PolarHBondContact O-N 3.48Å; I370-K374 PolarHBondContact O-N 3.03Å
371V95Very high93.1Very high2 Ų247.7 Ų47.71%0.01225%0.253CS..Hα-helixtrans-59-50178.1172.40000110.4W258 L293 D367 A368 G373 K374 I375W258-V371 HydrophobicContact CD2-CG1 3.79Å; W258-V371 HydrophobicContact CD2-CG2 3.98Å; W258-V371 HydrophobicContact CE3-CB 4.4Å; W258-V371 HydrophobicContact CE3-CG1 3.85Å; W258-V371 HydrophobicContact CE3-CG2 3.57Å; W258-V371 HydrophobicContact CG-CG1 4.45Å; W258-V371 HydrophobicContact CG-CG2 4.43Å; W258-V371 HydrophobicContact CH2-CG1 3.97Å; W258-V371 HydrophobicContact CZ2-CG1 3.88Å; W258-V371 HydrophobicContact CZ3-CG1 3.94Å; W258-V371 HydrophobicContact CZ3-CG2 4.07Å; L293-V371 HydrophobicContact CD2-CG1 4.43Å; D367-V371 WeakPolarHBondContact O-CG2 3.39Å; D367-V371 PolarHBondContact O-N 3.06Å; A368-V371 PolarHBondContact O-N 3.34Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.35Å; V371-K374 WeakPolarHBondContact O-CB 3.25Å; V371-K374 PolarHBondContact O-N 3Å; V371-K374 VanDerWaalsContact O-N 3.12Å; V371-I375 HydrophobicContact CG1-CD1 3.85Å; V371-I375 HydrophobicContact CG1-CG1 4.42Å; V371-I375 VanDerWaalsContact O-CG1 3.3Å; V371-I375 WeakPolarHBondContact O-CG1 3.17Å; V371-I375 PolarHBondContact O-N 3.24Å
372V95Very high92.6Very high0 Ų050.3 Ų50.30%026%0.263CS..Hα-helixtrans-58.8-39.8176.5167.50000111.9Y296 M297 Y302 A368 I375 I376Y296-V372 HydrophobicContact CD1-CG2 4.1Å; Y296-V372 HydrophobicContact CE1-CG2 4.22Å; M297-V372 HydrophobicContact CG-CB 4.34Å; M297-V372 HydrophobicContact CG-CG1 3.75Å; M297-V372 HydrophobicContact CG-CG2 3.67Å; M297-V372 HydrophobicContact SD-CG1 3.92Å; M297-V372 HydrophobicContact SD-CG2 4.29Å; Y302-V372 HydrophobicContact CD1-CG1 3.88Å; Y302-V372 HydrophobicContact CD2-CG1 3.83Å; Y302-V372 HydrophobicContact CE1-CG1 4.41Å; Y302-V372 HydrophobicContact CE2-CG1 4.37Å; Y302-V372 HydrophobicContact CG-CG1 3.56Å; A368-V372 VanDerWaalsContact O-CB 3.3Å; A368-V372 WeakPolarHBondContact O-CB 3.47Å; A368-V372 WeakPolarHBondContact O-CG2 3.13Å; A368-V372 PolarHBondContact O-N 2.97Å; V372-I375 PolarHBondContact O-N 2.94Å; V372-I376 HydrophobicContact CG1-CD1 3.69Å; V372-I376 HydrophobicContact CG1-CG1 4.38Å; V372-I376 VanDerWaalsContact O-CG1 3.3Å; V372-I376 WeakPolarHBondContact O-CG1 3.28Å; V372-I376 PolarHBondContact O-N 3.35Å
373G93.8Very high92.1Very high28 Ų2847.2 Ų47.229%0.28925%0.245SC..Hα-helixtrans-57.1-48.6173.900000112.3K369 I370 V371 I375 I376 D377K369-G373 PolarHBondContact O-N 2.87Å; I370-G373 PolarHBondContact O-N 3.48Å; V371-G373 VanDerWaalsContact C-N 3.28Å; V371-G373 PolarHBondContact O-N 3.35Å; G373-I375 PolarHBondContact O-N 2.88Å; G373-I376 PolarHBondContact O-N 2.89Å; G373-D377 PolarHBondContact O-N 2.79Å
374K93.1Very high91.4Very high26 Ų2642.7 Ų42.711%0.11323%0.234CC..Hα-helixtrans-60.2-45.8176.1-177.5177.7172.989.20112I236 N259 D260 G261 E317 I370 V371 I376 D377 A378I236-K374 HydrophobicContact CD1-CB 4.03Å; I236-K374 HydrophobicContact CD1-CD 3.5Å; I236-K374 VanDerWaalsContact CD1-CD 3.5Å; I236-K374 HydrophobicContact CD1-CG 4.38Å; N259-K374 WeakPolarHBondContact O-CE 3.3Å; N259-K374 PolarHBondContact O-NZ 3.36Å; D260-K374 PolarHBondContact O-NZ 3.25Å; G261-K374 PolarHBondContact O-NZ 2.84Å; E317-K374 WeakPolarHBondContact O-CE 3.42Å; I370-K374 PolarHBondContact O-N 3.03Å; V371-K374 WeakPolarHBondContact O-CB 3.25Å; V371-K374 PolarHBondContact O-N 3Å; V371-K374 VanDerWaalsContact O-N 3.12Å; K374-I376 VanDerWaalsContact C-N 3.32Å; K374-I376 PolarHBondContact O-N 3.03Å; K374-D377 PolarHBondContact O-N 2.87Å; K374-A378 WeakPolarHBondContact O-CB 3.29Å; K374-A378 PolarHBondContact O-N 2.95Å
375I93.8Very high90.4Very high1 Ų141.1 Ų41.11%0.00523%0.226CC..Hα-helixtrans-60.2-42.3178.8-64.1173.3000111.1L293 M297 A310 D314 A315 V371 V372 G373 A378 A379L293-I375 HydrophobicContact CD1-CD1 3.94Å; L293-I375 HydrophobicContact CD2-CD1 4.27Å; L293-I375 HydrophobicContact CG-CD1 4.48Å; M297-I375 HydrophobicContact CE-CG2 4.26Å; M297-I375 HydrophobicContact SD-CG2 4.17Å; A310-I375 HydrophobicContact CB-CG2 3.62Å; D314-I375 HydrophobicContact CB-CG2 4.31Å; A315-I375 HydrophobicContact CB-CD1 4.33Å; V371-I375 HydrophobicContact CG1-CD1 3.85Å; V371-I375 HydrophobicContact CG1-CG1 4.42Å; V371-I375 VanDerWaalsContact O-CG1 3.3Å; V371-I375 WeakPolarHBondContact O-CG1 3.17Å; V371-I375 PolarHBondContact O-N 3.24Å; V372-I375 PolarHBondContact O-N 2.94Å; G373-I375 PolarHBondContact O-N 2.88Å; I375-A378 PolarHBondContact O-N 3.43Å; I375-A379 WeakPolarHBondContact O-CB 3.49Å; I375-A379 PolarHBondContact O-N 3.44Å
376I92.9Very high89.7Confident23 Ų2343.4 Ų43.412%0.11823%0.225CC..Hα-helixtrans-65-41.9177.3-71.7165.3000111.2A306 V372 G373 K374 A379 R380A306-I376 HydrophobicContact CB-CD1 4.05Å; A306-I376 HydrophobicContact CB-CG1 4.01Å; A306-I376 HydrophobicContact CB-CG2 3.7Å; V372-I376 HydrophobicContact CG1-CD1 3.69Å; V372-I376 HydrophobicContact CG1-CG1 4.38Å; V372-I376 VanDerWaalsContact O-CG1 3.3Å; V372-I376 WeakPolarHBondContact O-CG1 3.28Å; V372-I376 PolarHBondContact O-N 3.35Å; G373-I376 PolarHBondContact O-N 2.89Å; K374-I376 VanDerWaalsContact C-N 3.32Å; K374-I376 PolarHBondContact O-N 3.03Å; I376-A379 PolarHBondContact O-N 3.11Å; I376-R380 HydrophobicContact CG2-CG 4.48Å; I376-R380 WeakPolarHBondContact O-CB 3.3Å; I376-R380 VanDerWaalsContact O-CG 3.29Å; I376-R380 WeakPolarHBondContact O-CG 3.41Å; I376-R380 PolarHBondContact O-N 3.26Å
377D89.8Confident88.9Confident89 Ų8946.3 Ų46.348%0.47623%0.225SC..Hα-helixtrans-66.7-40.3178.4-75.7-15.4000111.6G373 K374 R380 A381G373-D377 PolarHBondContact O-N 2.79Å; K374-D377 PolarHBondContact O-N 2.87Å; D377-R380 PolarHBondContact O-N 2.79Å; D377-R380 IonicContact OD1-NH1 3.66Å; D377-A381 WeakPolarHBondContact O-CB 3.39Å; D377-A381 PolarHBondContact O-N 2.85Å
378A89Confident87.6Confident1 Ų148.2 Ų48.21%0.00824%0.242CC..Hα-helixtrans-58.5-49.6171.400000111.2D314 E317 K374 I375 R380 A381 R382D314-A378 HydrophobicContact CB-CB 4.32Å; E317-A378 HydrophobicContact CB-CB 4.15Å; E317-A378 VanDerWaalsContact CD-CB 3.49Å; E317-A378 HydrophobicContact CG-CB 4.42Å; E317-A378 WeakPolarHBondContact OE2-CB 3.36Å; K374-A378 WeakPolarHBondContact O-CB 3.29Å; K374-A378 PolarHBondContact O-N 2.95Å; I375-A378 PolarHBondContact O-N 3.43Å; A378-R380 VanDerWaalsContact C-N 3.33Å; A378-R380 PolarHBondContact O-N 2.81Å; A378-A381 PolarHBondContact O-N 3.09Å; A378-A381 VanDerWaalsContact O-N 3.14Å; A378-R382 WeakPolarHBondContact O-CB 3.34Å; A378-R382 PolarHBondContact O-N 3.42Å
379A89.9Confident86.3Confident2 Ų250.1 Ų50.12%0.01725%0.249CC..Hα-helixtrans-62.1-39.2178.800000112.3V308 D314 I375 I376 E383V308-A379 HydrophobicContact CB-CB 4.45Å; V308-A379 HydrophobicContact CG1-CB 3.64Å; D314-A379 HydrophobicContact CB-CB 4.16Å; I375-A379 WeakPolarHBondContact O-CB 3.49Å; I375-A379 PolarHBondContact O-N 3.44Å; I376-A379 PolarHBondContact O-N 3.11Å; A379-E383 WeakPolarHBondContact O-CG 3.3Å; A379-E383 PolarHBondContact O-N 2.94Å
380R87.2Confident85.1Confident120 Ų12048.4 Ų48.445%0.45324%0.243SC..Hα-helixtrans-65.2-43173.8-76.8170173.5173.8-2112V308 I376 D377 A378 E383 A384V308-R380 HydrophobicContact CG2-CG 3.84Å; I376-R380 HydrophobicContact CG2-CG 4.48Å; I376-R380 WeakPolarHBondContact O-CB 3.3Å; I376-R380 VanDerWaalsContact O-CG 3.29Å; I376-R380 WeakPolarHBondContact O-CG 3.41Å; I376-R380 PolarHBondContact O-N 3.26Å; D377-R380 PolarHBondContact O-N 2.79Å; D377-R380 IonicContact OD1-NH1 3.66Å; A378-R380 VanDerWaalsContact C-N 3.33Å; A378-R380 PolarHBondContact O-N 2.81Å; R380-E383 PolarHBondContact O-N 3.3Å; R380-A384 WeakPolarHBondContact O-CB 3.45Å; R380-A384 PolarHBondContact O-N 3.49Å
381A83.6Confident83.5Confident42 Ų4251.2 Ų51.235%0.34726%0.256SS..Hα-helixtrans-63.7-43.6177.400000111.2D377 A378 E383 A384 A385D377-A381 WeakPolarHBondContact O-CB 3.39Å; D377-A381 PolarHBondContact O-N 2.85Å; A378-A381 PolarHBondContact O-N 3.09Å; A378-A381 VanDerWaalsContact O-N 3.14Å; A381-E383 PolarHBondContact O-N 2.82Å; A381-A384 PolarHBondContact O-N 3.27Å; A381-A385 WeakPolarHBondContact O-CB 3.49Å; A381-A385 PolarHBondContact O-N 2.82Å
382R85.5Confident81.8Confident57 Ų5755.9 Ų55.922%0.21529%0.285CS..Hα-helixtrans-56.6-48.9172.8-179.1-179.857.670.92.4111.6S309 D314 A378 A384 A385 R386S309-R382 PolarHBondContact O-NH2 3.33Å; D314-R382 WeakPolarHBondContact OD1-CD 3.35Å; D314-R382 IonicContact OD1-NE 3.97Å; D314-R382 PolarHBondContact OD1-NE 2.9Å; D314-R382 IonicContact OD2-CZ 2.6Å; D314-R382 IonicContact OD2-NE 3.24Å; D314-R382 PolarHBondContact OD2-NE 2.84Å; D314-R382 IonicContact OD2-NH2 3.97Å; D314-R382 PolarHBondContact OD2-NH2 3.41Å; D314-R382 VanDerWaalsContact OD2-NH2 3.12Å; A378-R382 WeakPolarHBondContact O-CB 3.34Å; A378-R382 PolarHBondContact O-N 3.42Å; R382-A384 PolarHBondContact O-N 2.66Å; R382-A385 PolarHBondContact O-N 2.96Å; R382-R386 WeakPolarHBondContact O-CB 3.48Å; R382-R386 PolarHBondContact O-N 2.75Å
383E84.3Confident80Confident31 Ų3164 Ų6415%0.14532%0.315CS..Hα-helixtrans-63.7-39.5177.6-76.7-63.3135.900112.9V308 A379 R380 A381 R386 R387V308-E383 HydrophobicContact CG1-CG 3.8Å; A379-E383 WeakPolarHBondContact O-CG 3.3Å; A379-E383 PolarHBondContact O-N 2.94Å; R380-E383 PolarHBondContact O-N 3.3Å; A381-E383 PolarHBondContact O-N 2.82Å; E383-R386 VanDerWaalsContact CD-NH2 3.33Å; E383-R386 PolarHBondContact O-N 3.25Å; E383-R386 IonicContact OE1-CZ 2.74Å; E383-R386 VanDerWaalsContact OE1-CZ 3.23Å; E383-R386 IonicContact OE1-NE 2.76Å; E383-R386 IonicContact OE1-NH1 2.77Å; E383-R386 PolarHBondContact OE1-NH1 2.74Å; E383-R386 VanDerWaalsContact OE1-NH1 3.15Å; E383-R386 IonicContact OE1-NH2 2.61Å; E383-R386 PolarHBondContact OE1-NH2 3.04Å; E383-R386 IonicContact OE2-CZ 3.54Å; E383-R386 IonicContact OE2-NE 3.15Å; E383-R386 IonicContact OE2-NH1 3.24Å; E383-R386 IonicContact OE2-NH2 3.65Å; E383-R386 PolarHBondContact OE2-NH2 3.33Å; E383-R387 WeakPolarHBondContact O-CG 3.45Å; E383-R387 PolarHBondContact O-N 2.76Å
384A80.6Confident78.1Confident54 Ų5471.8 Ų71.845%0.44634%0.336SS..Hα-helixtrans-65-44.6174.600000111.7R380 A381 R382 R387 A388R380-A384 WeakPolarHBondContact O-CB 3.45Å; R380-A384 PolarHBondContact O-N 3.49Å; A381-A384 PolarHBondContact O-N 3.27Å; R382-A384 PolarHBondContact O-N 2.66Å; A384-R387 PolarHBondContact O-N 2.98Å; A384-A388 WeakPolarHBondContact O-CB 3.25Å; A384-A388 PolarHBondContact O-N 3.18Å
385A73.7Confident76Confident7 Ų777.9 Ų77.96%0.05836%0.363CS..Hα-helixtrans-62-43.4176.100000111.3A381 R382 R387 A388 R389 F458 L462A381-A385 WeakPolarHBondContact O-CB 3.49Å; A381-A385 PolarHBondContact O-N 2.82Å; R382-A385 PolarHBondContact O-N 2.96Å; A385-R387 PolarHBondContact O-N 3.08Å; A385-A388 PolarHBondContact O-N 2.89Å; A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 WeakPolarHBondContact O-CG 3.47Å; A385-R389 PolarHBondContact O-N 3.16Å; A385-F458 HydrophobicContact CB-CD1 4.37Å; A385-L462 HydrophobicContact CB-CD1 4.49Å
386R79.5Confident73.7Confident122 Ų12279.7 Ų79.746%0.4638%0.381SS..Hα-helixtrans-57.5-47.5174.2-171.2-18072.1-172.82.4111.5R382 E383 R389 E390R382-R386 WeakPolarHBondContact O-CB 3.48Å; R382-R386 PolarHBondContact O-N 2.75Å; E383-R386 VanDerWaalsContact CD-NH2 3.33Å; E383-R386 PolarHBondContact O-N 3.25Å; E383-R386 IonicContact OE1-CZ 2.74Å; E383-R386 VanDerWaalsContact OE1-CZ 3.23Å; E383-R386 IonicContact OE1-NE 2.76Å; E383-R386 IonicContact OE1-NH1 2.77Å; E383-R386 PolarHBondContact OE1-NH1 2.74Å; E383-R386 VanDerWaalsContact OE1-NH1 3.15Å; E383-R386 IonicContact OE1-NH2 2.61Å; E383-R386 PolarHBondContact OE1-NH2 3.04Å; E383-R386 IonicContact OE2-CZ 3.54Å; E383-R386 IonicContact OE2-NE 3.15Å; E383-R386 IonicContact OE2-NH1 3.24Å; E383-R386 IonicContact OE2-NH2 3.65Å; E383-R386 PolarHBondContact OE2-NH2 3.33Å; R386-R389 PolarHBondContact O-N 2.94Å; R386-E390 WeakPolarHBondContact O-CG 3.28Å; R386-E390 PolarHBondContact O-N 3.15Å
387R78.4Confident71.2Confident160 Ų16081.8 Ų81.860%0.60440%0.402SS*.Hα-helixtrans-63.6-42177.5-71.4174.5-173.7-178.23.3112.6E383 A384 A385 R389 E390 M391E383-R387 WeakPolarHBondContact O-CG 3.45Å; E383-R387 PolarHBondContact O-N 2.76Å; A384-R387 PolarHBondContact O-N 2.98Å; A385-R387 PolarHBondContact O-N 3.08Å; R387-R389 VanDerWaalsContact C-N 3.35Å; R387-E390 PolarHBondContact O-N 2.89Å; R387-M391 PolarHBondContact O-N 3.36Å
388A69.8Low68.7Low46 Ų4685 Ų8538%0.3842%0.418SS..Hα-helixtrans-61.1-45.5176.300000110.8A384 A385 M391 T392A384-A388 WeakPolarHBondContact O-CB 3.25Å; A384-A388 PolarHBondContact O-N 3.18Å; A385-A388 PolarHBondContact O-N 2.89Å; A388-M391 PolarHBondContact O-N 3.02Å; A388-T392 PolarHBondContact O-N 3.41Å; A388-T392 PolarHBondContact O-OG1 3.48Å
389R66.2Low66.6Low40 Ų4090.9 Ų90.915%0.15145%0.449CS..Hα-helixtrans-61.9-44176-71.2167.9177.3-152.2-14.9112.7A385 R386 R387 M391 T392 R393 L462 I478 E482A385-R389 WeakPolarHBondContact O-CB 3.43Å; A385-R389 WeakPolarHBondContact O-CG 3.47Å; A385-R389 PolarHBondContact O-N 3.16Å; R386-R389 PolarHBondContact O-N 2.94Å; R387-R389 VanDerWaalsContact C-N 3.35Å; R389-M391 VanDerWaalsContact C-N 3.33Å; R389-M391 PolarHBondContact O-N 3.23Å; R389-T392 PolarHBondContact O-N 3.03Å; R389-R393 PolarHBondContact O-N 3.31Å; R389-L462 HydrophobicContact CG-CD1 4.46Å; R389-I478 PolarHBondContact NH2-O 3.48Å; R389-E482 IonicContact CZ-OE2 2.82Å; R389-E482 IonicContact NH1-OE2 2.7Å; R389-E482 PolarHBondContact NH1-OE2 2.9Å
390E70.1Confident63.9Low98 Ų9898.1 Ų98.146%0.45849%0.487SS..Hα-helixtrans-61.7-40176.3-78-178.6-179.100112.1R386 R387 R393 R394R386-E390 WeakPolarHBondContact O-CG 3.28Å; R386-E390 PolarHBondContact O-N 3.15Å; R387-E390 PolarHBondContact O-N 2.89Å; E390-R393 PolarHBondContact O-N 2.79Å; E390-R394 WeakPolarHBondContact O-CG 3.32Å; E390-R394 PolarHBondContact O-N 3.11Å
391M62.4Low61.6Low127 Ų12797.4 Ų97.463%0.62651%0.507SS*.Hα-helixtrans-63.8-41.4173-76.8-160.5-73.400112R387 A388 R389 R394 K395R387-M391 PolarHBondContact O-N 3.36Å; A388-M391 PolarHBondContact O-N 3.02Å; R389-M391 VanDerWaalsContact C-N 3.33Å; R389-M391 PolarHBondContact O-N 3.23Å; M391-R394 PolarHBondContact O-N 3.15Å; M391-K395 PolarHBondContact O-N 3.04Å
392T59Low59.6Low99 Ų9998 Ų9861%0.60752%0.518SS*.Hα-helixtrans-67.6-40.8177.4-51.30000111.8A388 R389 R394 K395 G396A388-T392 PolarHBondContact O-N 3.41Å; A388-T392 PolarHBondContact O-OG1 3.48Å; R389-T392 PolarHBondContact O-N 3.03Å; T392-R394 VanDerWaalsContact C-N 3.34Å; T392-R394 PolarHBondContact O-N 3.24Å; T392-K395 PolarHBondContact O-N 2.85Å; T392-G396 PolarHBondContact O-N 2.86Å
393R58.4Low58.1Low171 Ų17199.1 Ų99.165%0.64553%0.527SS*.Hα-helixtrans-60.6-42.2172.9-89.9-173.3177171.87.5112R389 E390 K395 G396 A397 E482R389-R393 PolarHBondContact O-N 3.31Å; E390-R393 PolarHBondContact O-N 2.79Å; R393-K395 VanDerWaalsContact C-N 3.33Å; R393-K395 PolarHBondContact O-N 3.41Å; R393-G396 PolarHBondContact O-N 2.9Å; R393-A397 PolarHBondContact O-N 2.64Å; R393-E482 IonicContact CZ-OE1 3.42Å; R393-E482 IonicContact NE-OE1 3.56Å; R393-E482 IonicContact NH2-OE1 2.66Å; R393-E482 PolarHBondContact NH2-OE1 2.69Å
394R52.7Low56.6Low192 Ų192100 Ų10073%0.72554%0.535SS*.Hα-helixtrans-64.2-36.6176.6-76.2179.8-178.3-178.23.2112.4E390 M391 T392E390-R394 WeakPolarHBondContact O-CG 3.32Å; E390-R394 PolarHBondContact O-N 3.11Å; M391-R394 PolarHBondContact O-N 3.15Å; T392-R394 VanDerWaalsContact C-N 3.34Å; T392-R394 PolarHBondContact O-N 3.24Å
395K49.9Very low55.8Low154 Ų154101.7 Ų101.767%0.6756%0.558SS**Hα-helixtrans-72.1-41172.5-74.8-176175.3-177.30112.4M391 T392 R393 A397 L398 D399M391-K395 PolarHBondContact O-N 3.04Å; T392-K395 PolarHBondContact O-N 2.85Å; R393-K395 VanDerWaalsContact C-N 3.33Å; R393-K395 PolarHBondContact O-N 3.41Å; K395-A397 VanDerWaalsContact C-N 3.32Å; K395-A397 PolarHBondContact O-N 3.14Å; K395-L398 WeakPolarHBondContact O-CB 3.47Å; K395-L398 PolarHBondContact O-N 3.21Å; K395-D399 PolarHBondContact O-N 3.05Å; K395-D399 VanDerWaalsContact O-N 3.07Å
396G45.7Very low56.1Low38 Ų38103.5 Ų103.539%0.39257%0.565SS.*Hα-helixtrans-66.9-27.2179.400000114.4T392 R393 L398 D399 L400T392-G396 PolarHBondContact O-N 2.86Å; R393-G396 PolarHBondContact O-N 2.9Å; G396-L398 PolarHBondContact O-N 3.01Å; G396-D399 CarbonylContact O-C 3.5Å; G396-D399 PolarHBondContact O-N 3.14Å; G396-L400 PolarHBondContact O-N 3.01Å
397A39.5Very low56.5Low67 Ų6798.6 Ų98.655%0.55455%0.548SS*.THydrogen-bonded Turntrans-68.7-19.1170.200000113.2R393 K395 L400R393-A397 PolarHBondContact O-N 2.64Å; K395-A397 VanDerWaalsContact C-N 3.32Å; K395-A397 PolarHBondContact O-N 3.14Å; A397-L400 WeakPolarHBondContact O-CD1 3.18Å
398L37.2Very low57.2Low158 Ų15891.6 Ų91.683%0.82752%0.524SS*.THydrogen-bonded Turntrans-92.1-26.7170.8-80.7148.5000111.9K395 G396K395-L398 WeakPolarHBondContact O-CB 3.47Å; K395-L398 PolarHBondContact O-N 3.21Å; G396-L398 PolarHBondContact O-N 3.01Å
399D45.3Very low58.2Low123 Ų12391.4 Ų91.466%0.65852%0.517SS*.  trans-99.432.1179.8-94.4-24.6000113.7K395 G396 A401 G402K395-D399 PolarHBondContact O-N 3.05Å; K395-D399 VanDerWaalsContact O-N 3.07Å; G396-D399 CarbonylContact O-C 3.5Å; G396-D399 PolarHBondContact O-N 3.14Å; D399-A401 PolarHBondContact O-N 2.88Å; D399-G402 PolarHBondContact O-N 3.46Å; D399-G402 VanDerWaalsContact O-N 3.13Å
400L33.9Very low59.4Low154 Ų15490 Ų9081%0.80651%0.513SS*.THydrogen-bonded Turntrans-57.210.3-175.7-109.1155.4000116.2G396 A397G396-L400 PolarHBondContact O-N 3.01Å; A397-L400 WeakPolarHBondContact O-CD1 3.18Å
401A37.1Very low60.4Low105 Ų10591.2 Ų91.287%0.86852%0.518SS*.THydrogen-bonded Turntrans-118.1-3.6178.600000115.5D399D399-A401 PolarHBondContact O-N 2.88Å
402G43.1Very low61.8Low56 Ų5687.2 Ų87.258%0.57750%0.498SS*.  trans-122.476.7-161.400000116.4D399D399-G402 PolarHBondContact O-N 3.46Å; D399-G402 VanDerWaalsContact O-N 3.13Å
403L53.7Low63.3Low80 Ų8091 Ų9142%0.41950%0.501SS..SBendtrans-52.7130.5145-84.7161.3000106.1G405 L407 T472L403-G405 PolarHBondContact O-N 3.26Å; L403-L407 HydrophobicContact CD1-CD2 3.9Å; L403-L407 HydrophobicContact CD2-CD2 3.71Å; L403-L407 HydrophobicContact CG-CD2 4.35Å; L403-T472 HydrophobicContact CD2-CG2 4.09Å
404P53Low64.9Low48 Ų4886.5 Ų86.531%0.31249%0.49SS..  trans-49.9131.8176-22.931.5000107.7K406 L407 T469P404-K406 PolarHBondContact O-N 2.82Å; P404-L407 PolarHBondContact O-N 3.46Å; P404-L407 VanDerWaalsContact O-N 3.1Å; P404-T469 HydrophobicContact CB-CG2 4.41Å; P404-T469 HydrophobicContact CG-CG2 4.14Å
405G62.6Low66.8Low90 Ų9079.2 Ų79.293%0.92847%0.467SS*.THydrogen-bonded Turntrans-57.88.3-171.500000116.6L403L403-G405 PolarHBondContact O-N 3.26Å
406K79.6Confident68.9Low45 Ų4574.5 Ų74.520%0.19646%0.457CS..THydrogen-bonded Turntrans-77.7-41169.5-62-171.3177-169.10113.5P404 A408 L444 P445 E466P404-K406 PolarHBondContact O-N 2.82Å; K406-A408 PolarHBondContact O-N 2.91Å; K406-L444 HydrophobicContact CB-CD1 4.44Å; K406-P445 VanDerWaalsContact O-CD 3.26Å; K406-P445 WeakPolarHBondContact O-CD 3.18Å; K406-E466 IonicContact NZ-OE1 2.82Å; K406-E466 PolarHBondContact NZ-OE1 2.9Å; K406-E466 IonicContact NZ-OE2 3.27Å; K406-E466 PolarHBondContact NZ-OE2 2.79Å
407L90Very high71.2Confident19 Ų1977.4 Ų77.410%0.09946%0.463CS..  trans-75.1116.1-177.2-179.664.5000109.7L403 P404 D409 L420 A442 L444 A473L403-L407 HydrophobicContact CD1-CD2 3.9Å; L403-L407 HydrophobicContact CD2-CD2 3.71Å; L403-L407 HydrophobicContact CG-CD2 4.35Å; P404-L407 PolarHBondContact O-N 3.46Å; P404-L407 VanDerWaalsContact O-N 3.1Å; L407-D409 PolarHBondContact O-N 2.93Å; L407-L420 HydrophobicContact CD1-CD1 3.93Å; L407-A442 HydrophobicContact CD1-CB 4.43Å; L407-L444 HydrophobicContact CB-CD1 4.3Å; L407-L444 HydrophobicContact CD1-CB 4Å; L407-L444 HydrophobicContact CD1-CD1 4.39Å; L407-A473 HydrophobicContact CD1-CB 4.47Å; L407-A473 HydrophobicContact CD2-CB 3.99Å
408A92.3Very high73.9Confident13 Ų1374.2 Ų74.211%0.10744%0.437CS..BIsolated β-bridgetrans-88.198.9163.100000107.6K406 K433 R436 A442 I443K406-A408 PolarHBondContact O-N 2.91Å; A408-K433 HydrophobicContact CB-CD 4.08Å; A408-K433 HydrophobicContact CB-CG 4.15Å; A408-R436 PolarHBondContact O-NH1 3.13Å; A408-A442 CarbonylContact O-C 3.59Å; A408-A442 WeakPolarHBondContact O-CA 3.31Å; A408-I443 HydrophobicContact CB-CB 4.31Å; A408-I443 PolarHBondContact N-O 3.04Å; A408-I443 PolarHBondContact O-N 3.38Å
409D90.9Very high76.8Confident43 Ų4367.3 Ų67.323%0.2340%0.401CS..  trans-69.4165.1179.1-1601.7000111.3L407 R436 R489 Y490L407-D409 PolarHBondContact O-N 2.93Å; D409-R436 PolarHBondContact O-NH1 2.77Å; D409-R436 PolarHBondContact O-NH2 2.76Å; D409-R489 IonicContact OD1-CZ 3.31Å; D409-R489 IonicContact OD1-NH1 3.95Å; D409-R489 IonicContact OD1-NH2 2.93Å; D409-R489 PolarHBondContact OD1-NH2 3.42Å; D409-R489 IonicContact OD2-CZ 3.91Å; D409-R489 IonicContact OD2-NH1 3.31Å; D409-R489 PolarHBondContact OD2-NH1 2.98Å; D409-R489 IonicContact OD2-NH2 3.64Å; D409-R489 PolarHBondContact OD2-NH2 3.29Å; D409-Y490 PolarHBondContact OD1-OH 2.82Å; D409-Y490 VanDerWaalsContact OD1-OH 3.06Å
410C91.7Very high79.3Confident9 Ų961.5 Ų61.56%0.06137%0.369CS..  trans-96167.9169.967.80000111.4N440 A442C410-N440 VanDerWaalsContact CB-C 3.41Å; C410-A442 HydrophobicContact CB-CB 4.35Å
411Q90.4Very high82.3Confident124 Ų12454.1 Ų54.158%0.57933%0.331SS*.SBendtrans-83.9-25.7178.5-63176.4-16.600112.6R438 K439Q411-R438 PolarHBondContact N-O 3.16Å; Q411-K439 CarbonylContact C-O 3.59Å; Q411-K439 WeakPolarHBondContact CA-O 3.29Å; Q411-K439 PolarHBondContact N-O 2.87Å
412E92.5Very high85.1Confident43 Ų4349.1 Ų49.120%0.20129%0.29CS..  trans-66140.9180-170.752.5-95.100111.2D414 L417 S418 K439 N440 R489E412-D414 HydrophobicContact CG-CB 4.44Å; E412-D414 PolarHBondContact OE1-N 2.93Å; E412-L417 HydrophobicContact CG-CB 3.75Å; E412-S418 WeakPolarHBondContact CG-OG 3.39Å; E412-K439 VanDerWaalsContact CB-O 3.31Å; E412-K439 WeakPolarHBondContact CB-O 3.33Å; E412-K439 PolarHBondContact N-O 2.91Å; E412-N440 HydrophobicContact CB-CB 4.19Å; E412-R489 PolarHBondContact O-NH2 2.81Å
413R89.6Confident87.5Confident179 Ų17946.5 Ų46.568%0.67526%0.263SS*.  trans-113.2-23.2-179.1-63.4-61.3-170.4177.90.8111.8P415R413-P415 VanDerWaalsContact O-CD 3.28Å; R413-P415 WeakPolarHBondContact O-CD 3.4Å
414D91.8Very high89.2Confident77 Ų7744.3 Ų44.341%0.41225%0.25SS..  trans-70.6116.3172.2-171.9-16.8000110.1E412 A416 L417 S418E412-D414 HydrophobicContact CG-CB 4.44Å; E412-D414 PolarHBondContact OE1-N 2.93Å; D414-A416 PolarHBondContact O-N 2.54Å; D414-A416 WeakPolarHBondContact OD1-CB 3.34Å; D414-A416 PolarHBondContact OD1-N 3.04Å; D414-L417 HydrophobicContact CB-CB 4.39Å; D414-L417 HydrophobicContact CB-CD1 4.33Å; D414-L417 HydrophobicContact CB-CG 4.32Å; D414-L417 PolarHBondContact O-N 2.88Å; D414-L417 VanDerWaalsContact O-N 3.15Å; D414-S418 WeakPolarHBondContact O-CB 3.18Å; D414-S418 PolarHBondContact O-N 3.33Å; D414-S418 VanDerWaalsContact O-N 3.11Å; D414-S418 PolarHBondContact O-OG 3.1Å
415P92.5Very high90.8Very high38 Ų3843.1 Ų43.125%0.24725%0.247CC..THydrogen-bonded Turntrans-57.8-32.2177.9-26.437.4000113.9R413 L417 S418 L488 R489 H491R413-P415 VanDerWaalsContact O-CD 3.28Å; R413-P415 WeakPolarHBondContact O-CD 3.4Å; P415-L417 PolarHBondContact O-N 3.2Å; P415-S418 PolarHBondContact O-N 3.42Å; P415-L488 VanDerWaalsContact CB-O 3.3Å; P415-L488 WeakPolarHBondContact CB-O 3.45Å; P415-L488 WeakPolarHBondContact CG-O 3.49Å; P415-R489 WeakPolarHBondContact CA-O 3.42Å; P415-H491 VanDerWaalsContact O-CB 3.3Å; P415-H491 WeakPolarHBondContact O-CB 3.3Å; P415-H491 PolarHBondContact O-N 2.85Å
416A94.3Very high91.9Very high55 Ų5542.9 Ų42.946%0.45522%0.224SC..THydrogen-bonded Turntrans-67-25.6-17900000113D414 H491D414-A416 PolarHBondContact O-N 2.54Å; D414-A416 WeakPolarHBondContact OD1-CB 3.34Å; D414-A416 PolarHBondContact OD1-N 3.04Å; A416-H491 WeakPolarHBondContact CA-ND1 3.31Å
417L94.3Very high92.2Very high99 Ų9945 Ų4552%0.51824%0.244SC..THydrogen-bonded Turntrans-101.3-11.1178.3-59.5-179.1000112.7E412 D414 P415 N440E412-L417 HydrophobicContact CG-CB 3.75Å; D414-L417 HydrophobicContact CB-CB 4.39Å; D414-L417 HydrophobicContact CB-CD1 4.33Å; D414-L417 HydrophobicContact CB-CG 4.32Å; D414-L417 PolarHBondContact O-N 2.88Å; D414-L417 VanDerWaalsContact O-N 3.15Å; P415-L417 PolarHBondContact O-N 3.2Å; L417-N440 WeakPolarHBondContact O-CB 3.03Å
418S96.3Very high92Very high1 Ų144.2 Ų44.21%0.00724%0.241CC..  trans-93135.2-173.8-57.80000112.1E412 D414 P415 Y490 H491E412-S418 WeakPolarHBondContact CG-OG 3.39Å; D414-S418 WeakPolarHBondContact O-CB 3.18Å; D414-S418 PolarHBondContact O-N 3.33Å; D414-S418 VanDerWaalsContact O-N 3.11Å; D414-S418 PolarHBondContact O-OG 3.1Å; P415-S418 PolarHBondContact O-N 3.42Å; S418-Y490 WeakPolarHBondContact O-CA 3.28Å; S418-H491 PolarHBondContact O-N 3.09Å
419E97.7Very high91.9Very high13 Ų1343.8 Ų43.86%0.06124%0.237CC..EExtended strand (participates in β ladder)trans-119.7141-177.4-49.7-177.216200110.7Y421 N440 Q441 A442 S492 I494 R760E419-Y421 HydrophobicContact CB-CE2 4.24Å; E419-N440 PolarHBondContact N-O 2.68Å; E419-Q441 HydrophobicContact CB-CG 4.25Å; E419-Q441 VanDerWaalsContact OE2-CG 3.26Å; E419-Q441 WeakPolarHBondContact OE2-CG 3.38Å; E419-Q441 PolarHBondContact OE2-NE2 3.12Å; E419-A442 WeakPolarHBondContact O-CB 3.47Å; E419-A442 PolarHBondContact O-N 3.38Å; E419-S492 CarbonylContact C-O 3.55Å; E419-S492 VanDerWaalsContact CA-O 3.32Å; E419-S492 WeakPolarHBondContact CA-O 3.39Å; E419-I494 HydrophobicContact CB-CD1 4.18Å; E419-R760 VanDerWaalsContact CD-NH1 3.29Å; E419-R760 IonicContact OE1-CZ 3.23Å; E419-R760 IonicContact OE1-NH1 3.42Å; E419-R760 PolarHBondContact OE1-NH1 3.06Å; E419-R760 VanDerWaalsContact OE1-NH1 3.14Å; E419-R760 IonicContact OE1-NH2 2.77Å; E419-R760 PolarHBondContact OE1-NH2 3.35Å; E419-R760 IonicContact OE2-CZ 2.92Å; E419-R760 IonicContact OE2-NH1 3.51Å; E419-R760 PolarHBondContact OE2-NH1 3.26Å; E419-R760 IonicContact OE2-NH2 3.82Å
420L97.3Very high91.9Very high0 Ų043 Ų430%024%0.239CC..EExtended strand (participates in β ladder)trans-121.6116.8174.8177.265.6000110.3L407 L422 A442 L444 A473 L474 Y490 S492 I493 I494L407-L420 HydrophobicContact CD1-CD1 3.93Å; L420-L422 HydrophobicContact CD2-CD2 3.91Å; L420-L422 HydrophobicContact CG-CD2 4.01Å; L420-A442 HydrophobicContact CD1-CB 3.89Å; L420-L444 HydrophobicContact CD1-CB 4.02Å; L420-A473 HydrophobicContact CD2-CB 4.44Å; L420-L474 HydrophobicContact CD2-CD2 3.92Å; L420-Y490 HydrophobicContact CB-CD1 3.97Å; L420-Y490 HydrophobicContact CB-CD2 3.62Å; L420-Y490 HydrophobicContact CB-CE1 4.4Å; L420-Y490 HydrophobicContact CB-CE2 4.03Å; L420-Y490 HydrophobicContact CB-CG 3.59Å; L420-Y490 HydrophobicContact CD1-CE2 4.16Å; L420-Y490 HydrophobicContact CD2-CD2 3.82Å; L420-Y490 HydrophobicContact CD2-CE2 3.92Å; L420-Y490 HydrophobicContact CG-CD2 4.21Å; L420-Y490 HydrophobicContact CG-CE2 4.26Å; L420-S492 PolarHBondContact N-O 3.2Å; L420-I493 CarbonylContact O-C 3.56Å; L420-I493 WeakPolarHBondContact O-CA 3.42Å; L420-I494 PolarHBondContact O-N 2.91Å
421Y97.1Very high91.9Very high0 Ų043.5 Ų43.50%024%0.243CC..EExtended strand (participates in β ladder)trans-93119.3173-73-103.9000110.5E419 Q441 A442 I443 L444 I494 M496 M755 R760E419-Y421 HydrophobicContact CB-CE2 4.24Å; Y421-Q441 HydrophobicContact CD2-CB 4.45Å; Y421-Q441 HydrophobicContact CE2-CB 4.25Å; Y421-Q441 HydrophobicContact CE2-CG 3.95Å; Y421-Q441 PolarHBondContact OH-NE2 2.85Å; Y421-A442 PolarHBondContact N-O 3.02Å; Y421-I443 HydrophobicContact CD2-CD1 4.15Å; Y421-I443 HydrophobicContact CG-CD1 4.08Å; Y421-L444 PolarHBondContact O-N 2.88Å; Y421-I494 CarbonylContact C-O 3.49Å; Y421-I494 WeakPolarHBondContact CA-O 3.26Å; Y421-I494 HydrophobicContact CD1-CB 4.07Å; Y421-I494 HydrophobicContact CD1-CD1 4.47Å; Y421-I494 HydrophobicContact CD1-CG2 3.79Å; Y421-I494 HydrophobicContact CD2-CD1 4.13Å; Y421-I494 HydrophobicContact CE1-CB 4.16Å; Y421-I494 HydrophobicContact CE1-CD1 3.98Å; Y421-I494 HydrophobicContact CE1-CG2 3.7Å; Y421-I494 HydrophobicContact CE2-CD1 3.57Å; Y421-I494 HydrophobicContact CG-CB 4.36Å; Y421-I494 VanDerWaalsContact CZ-CD1 3.49Å; Y421-M496 HydrophobicContact CD1-CB 4.32Å; Y421-M496 HydrophobicContact CD1-CE 4.23Å; Y421-M496 HydrophobicContact CD1-SD 3.89Å; Y421-M496 HydrophobicContact CE1-SD 4.18Å; Y421-M755 HydrophobicContact CD1-CE 4.4Å; Y421-M755 HydrophobicContact CD2-CE 4.34Å; Y421-M755 HydrophobicContact CE1-CB 4.47Å; Y421-M755 HydrophobicContact CE1-CE 4.31Å; Y421-M755 HydrophobicContact CE1-CG 4.04Å; Y421-M755 HydrophobicContact CE2-CE 4.27Å; Y421-M755 HydrophobicContact CG-CE 4.4Å; Y421-M755 WeakPolarHBondContact OH-CA 3.28Å; Y421-M755 PolarHBondContact OH-O 3.35Å; Y421-R760 PolarHBondContact OH-NH1 3.42Å
422L95.9Very high92Very high0 Ų037.6 Ų37.60%022%0.215CC..EExtended strand (participates in β ladder)trans-91.8107.7170.7-55.2-176.1000108.1L420 L444 L446 L470 I493 I494 I495 M496 L510 F514L420-L422 HydrophobicContact CD2-CD2 3.91Å; L420-L422 HydrophobicContact CG-CD2 4.01Å; L422-L444 HydrophobicContact CD2-CB 4.04Å; L422-L444 HydrophobicContact CD2-CD2 3.87Å; L422-L444 HydrophobicContact CD2-CG 4.34Å; L422-L446 HydrophobicContact CB-CD1 4.32Å; L422-L470 HydrophobicContact CD1-CD1 4.04Å; L422-L470 HydrophobicContact CD2-CD1 3.69Å; L422-I493 HydrophobicContact CD1-CG2 3.94Å; L422-I493 HydrophobicContact CG-CG2 4.22Å; L422-I494 PolarHBondContact N-O 2.82Å; L422-I495 HydrophobicContact CD1-CG1 4.43Å; L422-M496 PolarHBondContact O-N 2.72Å; L422-L510 HydrophobicContact CB-CD1 4.39Å; L422-L510 HydrophobicContact CD1-CD1 4.19Å; L422-L510 HydrophobicContact CD1-CD2 4.07Å; L422-F514 HydrophobicContact CD1-CE2 3.99Å; L422-F514 HydrophobicContact CD1-CZ 4.03Å
423V93.6Very high92.1Very high1 Ų141.5 Ų41.51%0.00623%0.232CC..EExtended strand (participates in β ladder)trans-111.7136.5-168.7-168.40000111.3G425 A428 A432 I443 L444 P445 L446 M496V423-G425 PolarHBondContact O-N 2.8Å; V423-A428 HydrophobicContact CG1-CB 3.61Å; V423-A432 HydrophobicContact CG2-CB 4.2Å; V423-I443 HydrophobicContact CG2-CG2 3.85Å; V423-L444 PolarHBondContact N-O 2.79Å; V423-P445 WeakPolarHBondContact O-CA 3.31Å; V423-L446 PolarHBondContact O-N 2.89Å; V423-M496 WeakPolarHBondContact CA-O 3.19Å; V423-M496 HydrophobicContact CB-CE 4.44Å; V423-M496 HydrophobicContact CG1-CE 3.94Å; V423-M496 HydrophobicContact CG2-CE 3.64Å
424E90.5Very high92.3Very high34 Ų3440 Ų4016%0.15923%0.232CC..EExtended strand (participates in β ladder)trans-70.4113.2174.8178.5168.9-163.300111.9M496 T497 D498 G503 I506E424-M496 PolarHBondContact N-O 3.39Å; E424-T497 HydrophobicContact CB-CG2 4.44Å; E424-D498 PolarHBondContact OE2-N 3.47Å; E424-G503 WeakPolarHBondContact OE2-CA 3.41Å; E424-I506 HydrophobicContact CB-CD1 4.34Å; E424-I506 HydrophobicContact CG-CD1 3.66Å; E424-I506 WeakPolarHBondContact OE1-CD1 3.25Å
425G86.9Confident92.3Very high23 Ų2336.9 Ų36.924%0.23722%0.219CC..Hα-helixtrans74.3163.9173.400000115.7V423 S427 G429 L446V423-G425 PolarHBondContact O-N 2.8Å; G425-S427 VanDerWaalsContact C-N 3.31Å; G425-S427 PolarHBondContact O-N 3Å; G425-G429 PolarHBondContact O-N 3.5Å; G425-G429 VanDerWaalsContact O-N 3.12Å; G425-L446 WeakPolarHBondContact CA-O 3.4Å; G425-L446 PolarHBondContact N-O 2.93Å
426D85.3Confident92.4Very high84 Ų8437 Ų3745%0.44921%0.214SC..Hα-helixtrans-71.7-25.4-179.1-70.1-24.2000112.5G430 K447D426-G430 PolarHBondContact O-N 3.15Å; D426-K447 VanDerWaalsContact CG-CE 3.46Å; D426-K447 WeakPolarHBondContact OD1-CE 3.3Å; D426-K447 IonicContact OD1-NZ 3.5Å; D426-K447 WeakPolarHBondContact OD2-CE 3.49Å; D426-K447 IonicContact OD2-NZ 3.46Å; D426-K447 PolarHBondContact OD2-NZ 2.85Å
427S85Confident92.4Very high89 Ų8937.3 Ų37.362%0.62221%0.208SC*.Hα-helixtrans-68.1-60.9-177.9-171.70000111.3G425 G429 G430 S431G425-S427 VanDerWaalsContact C-N 3.31Å; G425-S427 PolarHBondContact O-N 3Å; S427-G429 VanDerWaalsContact C-N 3.26Å; S427-G429 PolarHBondContact O-N 3.34Å; S427-G430 WeakPolarHBondContact O-CA 3.39Å; S427-G430 PolarHBondContact O-N 2.82Å; S427-S431 PolarHBondContact O-N 2.9Å; S427-S431 VanDerWaalsContact O-N 3.16Å
428A86.7Confident92.4Very high4 Ų440.7 Ų40.73%0.03321%0.214CC..Hα-helixtrans-62.8-35.5174.300000111.1V423 G430 S431 A432 L742V423-A428 HydrophobicContact CG1-CB 3.61Å; A428-G430 VanDerWaalsContact C-N 3.26Å; A428-G430 PolarHBondContact O-N 2.6Å; A428-S431 PolarHBondContact O-N 2.92Å; A428-A432 VanDerWaalsContact O-CB 3.27Å; A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 3.16Å; A428-L742 HydrophobicContact CB-CB 4.02Å
429G89.9Confident92.3Very high3 Ų346.4 Ų46.43%0.03124%0.239CC..Hα-helixtrans-59-35.4172.200000113.4G425 S427 K433G425-G429 PolarHBondContact O-N 3.5Å; G425-G429 VanDerWaalsContact O-N 3.12Å; S427-G429 VanDerWaalsContact C-N 3.26Å; S427-G429 PolarHBondContact O-N 3.34Å; G429-K433 VanDerWaalsContact O-CB 3.23Å; G429-K433 WeakPolarHBondContact O-CB 3.3Å; G429-K433 PolarHBondContact O-N 3.23Å
430G90.7Very high92.2Very high26 Ų2647.2 Ų47.227%0.26824%0.244SC..Hα-helixtrans-67.3-48174.700000112.8D426 S427 A428 K433 Q434D426-G430 PolarHBondContact O-N 3.15Å; S427-G430 WeakPolarHBondContact O-CA 3.39Å; S427-G430 PolarHBondContact O-N 2.82Å; A428-G430 VanDerWaalsContact C-N 3.26Å; A428-G430 PolarHBondContact O-N 2.6Å; G430-K433 PolarHBondContact O-N 2.77Å; G430-Q434 WeakPolarHBondContact O-CG 3.32Å; G430-Q434 PolarHBondContact O-N 3.24Å; G430-Q434 VanDerWaalsContact O-N 3.16Å; G430-Q434 PolarHBondContact O-NE2 3.42Å
431S91.7Very high92.2Very high20 Ų2047.2 Ų47.214%0.1424%0.244CC..Hα-helixtrans-62.5-44.7174.9-64.20000111.6S427 A428 K433 Q434 G435S427-S431 PolarHBondContact O-N 2.9Å; S427-S431 VanDerWaalsContact O-N 3.16Å; A428-S431 PolarHBondContact O-N 2.92Å; S431-K433 PolarHBondContact O-N 3.15Å; S431-Q434 PolarHBondContact O-N 3.3Å; S431-Q434 VanDerWaalsContact O-N 3.16Å; S431-G435 PolarHBondContact O-N 3.48Å
432A93.1Very high92.2Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-61.4-42176.500000112V423 A428 Q434 G435 R436 I443 M496 L750 M755V423-A432 HydrophobicContact CG2-CB 4.2Å; A428-A432 VanDerWaalsContact O-CB 3.27Å; A428-A432 WeakPolarHBondContact O-CB 3.49Å; A428-A432 PolarHBondContact O-N 3.16Å; A432-Q434 VanDerWaalsContact C-N 3.27Å; A432-Q434 PolarHBondContact O-N 3.01Å; A432-G435 PolarHBondContact O-N 2.92Å; A432-R436 VanDerWaalsContact O-CB 3.28Å; A432-R436 WeakPolarHBondContact O-CB 3.41Å; A432-R436 PolarHBondContact O-N 3.49Å; A432-I443 HydrophobicContact CB-CD1 4.01Å; A432-I443 HydrophobicContact CB-CG1 4.42Å; A432-I443 HydrophobicContact CB-CG2 4.14Å; A432-M496 HydrophobicContact CB-CE 3.69Å; A432-L750 HydrophobicContact CB-CD2 3.92Å; A432-M755 HydrophobicContact CB-CE 4.34Å; A432-M755 HydrophobicContact CB-SD 4.24Å
433K93.7Very high92.2Very high126 Ų12647.2 Ų47.255%0.54824%0.244SC..Hα-helixtrans-61.8-34.8176.2-177.5178.7175.9-179.10112.8A408 G429 G430 S431A408-K433 HydrophobicContact CB-CD 4.08Å; A408-K433 HydrophobicContact CB-CG 4.15Å; G429-K433 VanDerWaalsContact O-CB 3.23Å; G429-K433 WeakPolarHBondContact O-CB 3.3Å; G429-K433 PolarHBondContact O-N 3.23Å; G430-K433 PolarHBondContact O-N 2.77Å; S431-K433 PolarHBondContact O-N 3.15Å
434Q93.5Very high92.3Very high146 Ų14647.3 Ų47.368%0.68224%0.244SC*.Hα-helixtrans-78.6-40.5178.8-70.7174.856.200112.3G430 S431 A432 P747G430-Q434 WeakPolarHBondContact O-CG 3.32Å; G430-Q434 PolarHBondContact O-N 3.24Å; G430-Q434 VanDerWaalsContact O-N 3.16Å; G430-Q434 PolarHBondContact O-NE2 3.42Å; S431-Q434 PolarHBondContact O-N 3.3Å; S431-Q434 VanDerWaalsContact O-N 3.16Å; A432-Q434 VanDerWaalsContact C-N 3.27Å; A432-Q434 PolarHBondContact O-N 3.01Å; Q434-P747 HydrophobicContact CB-CB 3.84Å; Q434-P747 HydrophobicContact CB-CG 3.78Å
435G91.8Very high92.4Very high13 Ų1346.3 Ų46.313%0.13424%0.241CC..Hα-helixtrans-82.5-20.2-175.700000115.1S431 A432S431-G435 PolarHBondContact O-N 3.48Å; A432-G435 PolarHBondContact O-N 2.92Å
436R94.3Very high92.5Very high40 Ų4045.4 Ų45.415%0.15123%0.231CC..SBendtrans-62.3157.6-174.173.5-170.9-172.6153.31.8115.1A408 D409 A432 R438 Q441 I443 M755A408-R436 PolarHBondContact O-NH1 3.13Å; D409-R436 PolarHBondContact O-NH1 2.77Å; D409-R436 PolarHBondContact O-NH2 2.76Å; A432-R436 VanDerWaalsContact O-CB 3.28Å; A432-R436 WeakPolarHBondContact O-CB 3.41Å; A432-R436 PolarHBondContact O-N 3.49Å; R436-R438 PolarHBondContact O-N 2.85Å; R436-R438 VanDerWaalsContact O-N 3.15Å; R436-Q441 HydrophobicContact CB-CB 4.02Å; R436-Q441 WeakPolarHBondContact CD-O 3.44Å; R436-Q441 PolarHBondContact NH1-O 3.34Å; R436-I443 HydrophobicContact CB-CD1 4.26Å; R436-I443 VanDerWaalsContact CD-CG1 3.47Å; R436-M755 HydrophobicContact CB-CE 3.57Å
437N95.2Very high92.4Very high62 Ų6246.3 Ų46.333%0.33223%0.23SC..  trans-77.796.3158.1-174-8000110.6K439 N440 Q441 W751N437-K439 PolarHBondContact O-N 2.82Å; N437-K439 WeakPolarHBondContact OD1-CB 3.27Å; N437-K439 PolarHBondContact OD1-N 3.35Å; N437-K439 VanDerWaalsContact OD1-N 3.08Å; N437-N440 WeakPolarHBondContact CB-OD1 3.46Å; N437-N440 PolarHBondContact ND2-OD1 2.99Å; N437-N440 PolarHBondContact O-N 2.88Å; N437-N440 VanDerWaalsContact O-N 3.16Å; N437-N440 PolarHBondContact O-OD1 3Å; N437-Q441 HydrophobicContact CB-CG 4.43Å; N437-Q441 WeakPolarHBondContact O-CB 3.28Å; N437-Q441 PolarHBondContact O-N 2.67Å; N437-W751 HydrophobicContact CB-CH2 3.7Å; N437-W751 HydrophobicContact CB-CZ3 3.63Å
438R94.2Very high92.2Very high169 Ų16944.5 Ų44.564%0.63823%0.226SC*.THydrogen-bonded Turntrans-56.2-18.1-179.770.5177.6-178.4-178.4-1.6114.7Q411 R436Q411-R438 PolarHBondContact N-O 3.16Å; R436-R438 PolarHBondContact O-N 2.85Å; R436-R438 VanDerWaalsContact O-N 3.15Å
439K94.7Very high92.2Very high122 Ų12249.5 Ų49.553%0.5325%0.247SC..THydrogen-bonded Turntrans-61.4-49.8177.7-173.9-176.8173.8-171.70109.8Q411 E412 N437Q411-K439 CarbonylContact C-O 3.59Å; Q411-K439 WeakPolarHBondContact CA-O 3.29Å; Q411-K439 PolarHBondContact N-O 2.87Å; E412-K439 VanDerWaalsContact CB-O 3.31Å; E412-K439 WeakPolarHBondContact CB-O 3.33Å; E412-K439 PolarHBondContact N-O 2.91Å; N437-K439 PolarHBondContact O-N 2.82Å; N437-K439 WeakPolarHBondContact OD1-CB 3.27Å; N437-K439 PolarHBondContact OD1-N 3.35Å; N437-K439 VanDerWaalsContact OD1-N 3.08Å
440N95.4Very high92.1Very high29 Ų2949.8 Ų49.816%0.15525%0.248CC..THydrogen-bonded Turntrans-127.2-8.9-170.265.9-27.2000115.3C410 E412 L417 E419 N437C410-N440 VanDerWaalsContact CB-C 3.41Å; E412-N440 HydrophobicContact CB-CB 4.19Å; L417-N440 WeakPolarHBondContact O-CB 3.03Å; E419-N440 PolarHBondContact N-O 2.68Å; N437-N440 WeakPolarHBondContact CB-OD1 3.46Å; N437-N440 PolarHBondContact ND2-OD1 2.99Å; N437-N440 PolarHBondContact O-N 2.88Å; N437-N440 VanDerWaalsContact O-N 3.16Å; N437-N440 PolarHBondContact O-OD1 3Å
441Q97.4Very high92.2Very high0 Ų050.8 Ų50.80%025%0.247CC..EExtended strand (participates in β ladder)trans-104.6117.5-177-64.9-179.3-25.100112.3E419 Y421 R436 N437 M755E419-Q441 HydrophobicContact CB-CG 4.25Å; E419-Q441 VanDerWaalsContact OE2-CG 3.26Å; E419-Q441 WeakPolarHBondContact OE2-CG 3.38Å; E419-Q441 PolarHBondContact OE2-NE2 3.12Å; Y421-Q441 HydrophobicContact CD2-CB 4.45Å; Y421-Q441 HydrophobicContact CE2-CB 4.25Å; Y421-Q441 HydrophobicContact CE2-CG 3.95Å; Y421-Q441 PolarHBondContact OH-NE2 2.85Å; R436-Q441 HydrophobicContact CB-CB 4.02Å; R436-Q441 WeakPolarHBondContact CD-O 3.44Å; R436-Q441 PolarHBondContact NH1-O 3.34Å; N437-Q441 HydrophobicContact CB-CG 4.43Å; N437-Q441 WeakPolarHBondContact O-CB 3.28Å; N437-Q441 PolarHBondContact O-N 2.67Å; Q441-M755 PolarHBondContact NE2-O 2.84Å
442A96.7Very high92.2Very high0 Ų051.3 Ų51.30%025%0.248CC..EExtended strand (participates in β ladder)trans-95.1145.5171.400000110.9L407 A408 C410 E419 L420 Y421 Y490L407-A442 HydrophobicContact CD1-CB 4.43Å; A408-A442 CarbonylContact O-C 3.59Å; A408-A442 WeakPolarHBondContact O-CA 3.31Å; C410-A442 HydrophobicContact CB-CB 4.35Å; E419-A442 WeakPolarHBondContact O-CB 3.47Å; E419-A442 PolarHBondContact O-N 3.38Å; L420-A442 HydrophobicContact CD1-CB 3.89Å; Y421-A442 PolarHBondContact N-O 3.02Å; A442-Y490 HydrophobicContact CB-CD1 4.49Å; A442-Y490 HydrophobicContact CB-CE1 3.61Å
443I95.7Very high92.1Very high1 Ų151.6 Ų51.61%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-122.4125.3179.7-50.3-59.4000109.5A408 Y421 V423 A432 R436 P445 M755A408-I443 HydrophobicContact CB-CB 4.31Å; A408-I443 PolarHBondContact N-O 3.04Å; A408-I443 PolarHBondContact O-N 3.38Å; Y421-I443 HydrophobicContact CD2-CD1 4.15Å; Y421-I443 HydrophobicContact CG-CD1 4.08Å; V423-I443 HydrophobicContact CG2-CG2 3.85Å; A432-I443 HydrophobicContact CB-CD1 4.01Å; A432-I443 HydrophobicContact CB-CG1 4.42Å; A432-I443 HydrophobicContact CB-CG2 4.14Å; R436-I443 HydrophobicContact CB-CD1 4.26Å; R436-I443 VanDerWaalsContact CD-CG1 3.47Å; I443-P445 HydrophobicContact CG2-CG 4.39Å; I443-M755 HydrophobicContact CD1-CE 3.78Å
444L95Very high91.8Very high2 Ų247.5 Ų47.51%0.0123%0.232CC..EExtended strand (participates in β ladder)trans-119.8100.1172.3-178.560.5000110.1K406 L407 L420 Y421 L422 V423 L446 T469 L470 A473K406-L444 HydrophobicContact CB-CD1 4.44Å; L407-L444 HydrophobicContact CB-CD1 4.3Å; L407-L444 HydrophobicContact CD1-CB 4Å; L407-L444 HydrophobicContact CD1-CD1 4.39Å; L420-L444 HydrophobicContact CD1-CB 4.02Å; Y421-L444 PolarHBondContact O-N 2.88Å; L422-L444 HydrophobicContact CD2-CB 4.04Å; L422-L444 HydrophobicContact CD2-CD2 3.87Å; L422-L444 HydrophobicContact CD2-CG 4.34Å; V423-L444 PolarHBondContact N-O 2.79Å; L444-L446 HydrophobicContact CG-CD2 4.41Å; L444-T469 HydrophobicContact CD1-CG2 3.77Å; L444-L470 HydrophobicContact CD2-CD1 4.04Å; L444-A473 HydrophobicContact CD2-CB 4.06Å
445P93.1Very high91.3Very high14 Ų1444 Ų449%0.09122%0.215CC..EExtended strand (participates in β ladder)trans-70129.4172-1630.8000110.9K406 V423 I443K406-P445 VanDerWaalsContact O-CD 3.26Å; K406-P445 WeakPolarHBondContact O-CD 3.18Å; V423-P445 WeakPolarHBondContact O-CA 3.31Å; I443-P445 HydrophobicContact CG2-CG 4.39Å
446L90.3Very high90.8Very high4 Ų443.8 Ų43.82%0.02121%0.211CC..EExtended strand (participates in β ladder)trans-97.4126.8175.7-60.3177.8000109.7L422 V423 G425 L444 G448 I506 L510L422-L446 HydrophobicContact CB-CD1 4.32Å; V423-L446 PolarHBondContact O-N 2.89Å; G425-L446 WeakPolarHBondContact CA-O 3.4Å; G425-L446 PolarHBondContact N-O 2.93Å; L444-L446 HydrophobicContact CG-CD2 4.41Å; L446-G448 PolarHBondContact O-N 3.01Å; L446-I506 HydrophobicContact CD1-CG2 4.44Å; L446-L510 HydrophobicContact CD1-CD1 3.83Å; L446-L510 HydrophobicContact CD1-CD2 3.98Å; L446-L510 HydrophobicContact CD1-CG 4.32Å
447K82.7Confident90Very high103 Ų10349.2 Ų49.245%0.44823%0.232SC..  trans-91108.3178.6-70.5-164.5179.4-149.50110.7D426 E466D426-K447 VanDerWaalsContact CG-CE 3.46Å; D426-K447 WeakPolarHBondContact OD1-CE 3.3Å; D426-K447 IonicContact OD1-NZ 3.5Å; D426-K447 WeakPolarHBondContact OD2-CE 3.49Å; D426-K447 IonicContact OD2-NZ 3.46Å; D426-K447 PolarHBondContact OD2-NZ 2.85Å; K447-E466 PolarHBondContact N-OE2 2.92Å; K447-E466 VanDerWaalsContact N-OE2 3.12Å
448G81.4Confident89.2Confident51 Ų5149.3 Ų49.353%0.52623%0.229SC..SBendtrans67.8-160.7179.500000112.7L446L446-G448 PolarHBondContact O-N 3.01Å
449K85Confident88.4Confident109 Ų10945.2 Ų45.247%0.47422%0.22SC..PPolyproline II helixtrans-77.4129.9-177.9-66.5173.5177.3165.50110.3D502 H505 I506 L509K449-D502 WeakPolarHBondContact CE-OD1 3.11Å; K449-D502 IonicContact NZ-OD1 3.85Å; K449-D502 PolarHBondContact NZ-OD1 3.26Å; K449-H505 WeakPolarHBondContact CE-ND1 3.34Å; K449-I506 HydrophobicContact CG-CG1 4.36Å; K449-L509 HydrophobicContact CB-CD1 4.12Å
450I89.1Confident87.8Confident9 Ų945 Ų455%0.04622%0.219CC..PPolyproline II helixtrans-68.3153.1174.1-167174.5000110.6N452 V467 L470 L509 L510I450-N452 PolarHBondContact O-N 2.81Å; I450-V467 HydrophobicContact CD1-CG2 4.1Å; I450-V467 HydrophobicContact CG1-CG2 3.87Å; I450-L470 HydrophobicContact CD1-CD2 4.13Å; I450-L509 HydrophobicContact CG2-CB 3.26Å; I450-L509 HydrophobicContact CG2-CD1 4.04Å; I450-L509 HydrophobicContact CG2-CG 4.2Å; I450-L509 WeakPolarHBondContact O-CD1 3.48Å; I450-L510 HydrophobicContact CD1-CD2 3.82Å
451L91.8Very high87.3Confident47 Ų4743.7 Ų43.725%0.24621%0.212CC..PPolyproline II helixtrans-59.9130.2177.4-178.471.3000110.3V453 A456 K460 V467L451-V453 PolarHBondContact O-N 2.86Å; L451-A456 HydrophobicContact CD2-CB 3.73Å; L451-A456 HydrophobicContact CG-CB 4.16Å; L451-K460 HydrophobicContact CD2-CG 4.48Å; L451-V467 HydrophobicContact CB-CG2 4.27Å
452N92.4Very high86.6Confident31 Ų3145.8 Ų45.817%0.16622%0.223CC..  trans-68.4105.8169.8-177.5-3.6000109.7I450 E454 K455 L509 M781I450-N452 PolarHBondContact O-N 2.81Å; N452-E454 VanDerWaalsContact C-N 3.27Å; N452-E454 PolarHBondContact O-N 2.67Å; N452-E454 VanDerWaalsContact OD1-CB 3.23Å; N452-E454 WeakPolarHBondContact OD1-CB 3.14Å; N452-E454 PolarHBondContact OD1-N 3.3Å; N452-K455 PolarHBondContact O-N 3.38Å; N452-L509 HydrophobicContact CB-CD2 3.61Å; N452-M781 PolarHBondContact ND2-O 2.86Å
453V90.3Very high85.9Confident6 Ų650.3 Ų50.34%0.03626%0.255CS..G310 helixtrans-74.4-16.4-176.9-59.70000113.9L451 K455 A456 M461 T512 F513 R516 Q517L451-V453 PolarHBondContact O-N 2.86Å; V453-K455 VanDerWaalsContact C-N 3.25Å; V453-K455 PolarHBondContact O-N 2.9Å; V453-A456 PolarHBondContact O-N 3.36Å; V453-M461 HydrophobicContact CB-SD 4.24Å; V453-M461 HydrophobicContact CG1-CG 3.91Å; V453-M461 HydrophobicContact CG1-SD 3.76Å; V453-T512 HydrophobicContact CG2-CG2 4.16Å; V453-F513 HydrophobicContact CG1-CD2 3.94Å; V453-F513 HydrophobicContact CG2-CB 4.33Å; V453-R516 HydrophobicContact CG2-CB 4.3Å; V453-Q517 HydrophobicContact CG2-CG 4.46Å
454E87.8Confident85.5Confident40 Ų4051.5 Ų51.519%0.18726%0.263CS..G310 helixtrans-62.7-38.1175.5-167.667.2-177.700111.4N452 T512 R516 M781N452-E454 VanDerWaalsContact C-N 3.27Å; N452-E454 PolarHBondContact O-N 2.67Å; N452-E454 VanDerWaalsContact OD1-CB 3.23Å; N452-E454 WeakPolarHBondContact OD1-CB 3.14Å; N452-E454 PolarHBondContact OD1-N 3.3Å; E454-T512 HydrophobicContact CB-CG2 4.16Å; E454-R516 IonicContact OE1-CZ 2.73Å; E454-R516 IonicContact OE1-NE 3.72Å; E454-R516 PolarHBondContact OE1-NE 3.3Å; E454-R516 IonicContact OE1-NH2 3.35Å; E454-R516 PolarHBondContact OE1-NH2 2.83Å; E454-R516 WeakPolarHBondContact OE2-CD 3.26Å; E454-R516 WeakPolarHBondContact OE2-CG 3.14Å; E454-R516 IonicContact OE2-CZ 3.58Å; E454-R516 IonicContact OE2-NE 3.68Å; E454-R516 PolarHBondContact OE2-NE 2.84Å; E454-R516 IonicContact OE2-NH2 3.98Å; E454-M781 HydrophobicContact CB-CB 3.81Å; E454-M781 HydrophobicContact CG-CB 4.02Å
455K82.8Confident85.1Confident73 Ų7357.8 Ų57.832%0.31729%0.293SS..G310 helixtrans-93.8-3.3-177.5-57-173.8165.5-140.10113.4N452 V453 M781 G782 D783N452-K455 PolarHBondContact O-N 3.38Å; V453-K455 VanDerWaalsContact C-N 3.25Å; V453-K455 PolarHBondContact O-N 2.9Å; K455-M781 WeakPolarHBondContact CE-O 3.45Å; K455-M781 VanDerWaalsContact CG-O 3.25Å; K455-M781 WeakPolarHBondContact CG-O 3.39Å; K455-G782 WeakPolarHBondContact CE-O 3.07Å; K455-G782 PolarHBondContact NZ-O 3.01Å; K455-G782 VanDerWaalsContact NZ-O 3.15Å; K455-D783 WeakPolarHBondContact CD-OD1 3.32Å; K455-D783 VanDerWaalsContact CE-OD1 3.23Å; K455-D783 WeakPolarHBondContact CE-OD1 3.48Å; K455-D783 WeakPolarHBondContact CG-OD1 3.3Å; K455-D783 IonicContact NZ-OD1 3.68Å; K455-D783 PolarHBondContact NZ-OD1 3.18Å; K455-D783 VanDerWaalsContact NZ-OD1 3.15Å
456A82.4Confident84.8Confident7 Ų758.4 Ų58.46%0.05829%0.294CS..SBendtrans-110.8131-170.400000110.8L451 V453 K460L451-A456 HydrophobicContact CD2-CB 3.73Å; L451-A456 HydrophobicContact CG-CB 4.16Å; V453-A456 PolarHBondContact O-N 3.36Å; A456-K460 HydrophobicContact CB-CD 4.41Å
457R77.5Confident84.7Confident155 Ų15558.2 Ų58.259%0.58529%0.293SS*.  trans-61.1154.5166.2-68.2-178.5179.4-164.8-2.3110.6F262 D459 K460 M461F262-R457 HydrophobicContact CE1-CG 3.84Å; F262-R457 HydrophobicContact CE2-CG 4.13Å; F262-R457 HydrophobicContact CZ-CB 4.4Å; F262-R457 HydrophobicContact CZ-CG 3.43Å; F262-R457 VanDerWaalsContact CZ-CG 3.43Å; R457-D459 VanDerWaalsContact C-N 3.29Å; R457-D459 WeakPolarHBondContact CB-OD1 3.42Å; R457-D459 PolarHBondContact O-N 3.36Å; R457-K460 PolarHBondContact O-N 3.45Å; R457-K460 VanDerWaalsContact O-N 3.12Å; R457-M461 PolarHBondContact O-N 3.34Å
458F78.6Confident84.9Confident63 Ų6354.9 Ų54.928%0.27629%0.285SS..Hα-helixtrans-58-37.8-176.9-166.9-102.1000113.6A385 M461 L462 I478A385-F458 HydrophobicContact CB-CD1 4.37Å; F458-M461 HydrophobicContact CD2-CE 3.34Å; F458-M461 HydrophobicContact CE2-CE 3.38Å; F458-M461 HydrophobicContact CG-CE 4.17Å; F458-M461 HydrophobicContact CZ-CE 4.24Å; F458-M461 WeakPolarHBondContact O-CB 3.47Å; F458-M461 PolarHBondContact O-N 2.73Å; F458-L462 HydrophobicContact CD1-CD1 3.96Å; F458-L462 HydrophobicContact CD1-CG 4.4Å; F458-L462 HydrophobicContact CE1-CD1 3.68Å; F458-L462 HydrophobicContact CE1-CG 4.23Å; F458-L462 HydrophobicContact CZ-CD1 4.46Å; F458-L462 WeakPolarHBondContact O-CG 3.29Å; F458-L462 PolarHBondContact O-N 2.78Å; F458-I478 HydrophobicContact CE2-CG1 4.22Å; F458-I478 HydrophobicContact CZ-CG1 4.48Å; F458-I478 HydrophobicContact CZ-CG2 4.12Å
459D76.2Confident85.2Confident84 Ų8452.9 Ų52.945%0.44926%0.262SS..Hα-helixtrans-66.9-42.517665.4-46.4000112.7R457 M461 L462 S463R457-D459 VanDerWaalsContact C-N 3.29Å; R457-D459 WeakPolarHBondContact CB-OD1 3.42Å; R457-D459 PolarHBondContact O-N 3.36Å; D459-M461 VanDerWaalsContact C-N 3.29Å; D459-M461 PolarHBondContact O-N 2.89Å; D459-L462 PolarHBondContact O-N 2.9Å; D459-S463 PolarHBondContact O-N 3.43Å; D459-S463 VanDerWaalsContact O-N 3.1Å
460K81.6Confident85.5Confident117 Ų11747.7 Ų47.751%0.50924%0.24SC..Hα-helixtrans-65.3-34.4174.4-174.3178.1-179.9-177.60111.8L451 A456 R457 S463 S464L451-K460 HydrophobicContact CD2-CG 4.48Å; A456-K460 HydrophobicContact CB-CD 4.41Å; R457-K460 PolarHBondContact O-N 3.45Å; R457-K460 VanDerWaalsContact O-N 3.12Å; K460-S463 PolarHBondContact O-N 3.16Å; K460-S463 PolarHBondContact O-OG 3.16Å; K460-S464 PolarHBondContact O-N 3.35Å
461M85Confident85.5Confident1 Ų148.1 Ų48.11%0.00524%0.242CC..Hα-helixtrans-64.9-46173.6-179.4-173.36500111.2V453 R457 F458 D459 S463 S464 V467 I478 F513 Q517V453-M461 HydrophobicContact CB-SD 4.24Å; V453-M461 HydrophobicContact CG1-CG 3.91Å; V453-M461 HydrophobicContact CG1-SD 3.76Å; R457-M461 PolarHBondContact O-N 3.34Å; F458-M461 HydrophobicContact CD2-CE 3.34Å; F458-M461 HydrophobicContact CE2-CE 3.38Å; F458-M461 HydrophobicContact CG-CE 4.17Å; F458-M461 HydrophobicContact CZ-CE 4.24Å; F458-M461 WeakPolarHBondContact O-CB 3.47Å; F458-M461 PolarHBondContact O-N 2.73Å; D459-M461 VanDerWaalsContact C-N 3.29Å; D459-M461 PolarHBondContact O-N 2.89Å; M461-S463 VanDerWaalsContact C-N 3.26Å; M461-S463 PolarHBondContact O-N 3.3Å; M461-S464 WeakPolarHBondContact O-CB 3.16Å; M461-S464 PolarHBondContact O-N 2.68Å; M461-S464 VanDerWaalsContact O-N 3.14Å; M461-V467 HydrophobicContact CG-CB 4.47Å; M461-V467 HydrophobicContact CG-CG1 3.64Å; M461-V467 HydrophobicContact SD-CG1 4.36Å; M461-I478 HydrophobicContact CE-CD1 3.37Å; M461-I478 HydrophobicContact CE-CG1 4.18Å; M461-I478 HydrophobicContact SD-CD1 3.95Å; M461-F513 HydrophobicContact SD-CE2 4.35Å; M461-Q517 HydrophobicContact CE-CG 4.41Å; M461-Q517 HydrophobicContact SD-CG 3.78Å
462L82.6Confident85.3Confident45 Ų4550 Ų5024%0.23626%0.255CS..Hα-helixtrans-66.5-24.3178.4-69179000113.8A385 R389 F458 D459 S464 I471 I478A385-L462 HydrophobicContact CB-CD1 4.49Å; R389-L462 HydrophobicContact CG-CD1 4.46Å; F458-L462 HydrophobicContact CD1-CD1 3.96Å; F458-L462 HydrophobicContact CD1-CG 4.4Å; F458-L462 HydrophobicContact CE1-CD1 3.68Å; F458-L462 HydrophobicContact CE1-CG 4.23Å; F458-L462 HydrophobicContact CZ-CD1 4.46Å; F458-L462 WeakPolarHBondContact O-CG 3.29Å; F458-L462 PolarHBondContact O-N 2.78Å; D459-L462 PolarHBondContact O-N 2.9Å; L462-S464 VanDerWaalsContact C-N 3.32Å; L462-I471 HydrophobicContact CD2-CD1 4.21Å; L462-I478 HydrophobicContact CD2-CG2 3.73Å
463S83Confident85.3Confident95 Ų9548.8 Ų48.866%0.66425%0.25SC*.Hα-helixtrans-80.9-12175.269.10000113.6D459 K460 M461 Q465D459-S463 PolarHBondContact O-N 3.43Å; D459-S463 VanDerWaalsContact O-N 3.1Å; K460-S463 PolarHBondContact O-N 3.16Å; K460-S463 PolarHBondContact O-OG 3.16Å; M461-S463 VanDerWaalsContact C-N 3.26Å; M461-S463 PolarHBondContact O-N 3.3Å; S463-Q465 PolarHBondContact O-N 3.44Å
464S86.7Confident85.4Confident26 Ų2648.5 Ų48.518%0.18225%0.248CC..  trans-73.2122.2174.71790000111K460 M461 L462 E466 V467 A468K460-S464 PolarHBondContact O-N 3.35Å; M461-S464 WeakPolarHBondContact O-CB 3.16Å; M461-S464 PolarHBondContact O-N 2.68Å; M461-S464 VanDerWaalsContact O-N 3.14Å; L462-S464 VanDerWaalsContact C-N 3.32Å; S464-E466 PolarHBondContact O-N 3.39Å; S464-V467 PolarHBondContact O-N 3.06Å; S464-A468 VanDerWaalsContact O-CB 3.29Å; S464-A468 WeakPolarHBondContact O-CB 3.24Å; S464-A468 PolarHBondContact O-N 3.34Å
465Q86.3Confident85.5Confident134 Ų13448.6 Ų48.663%0.62626%0.26SS*.Hα-helixtrans-62.1-41.9-178.6-173.4176.77.700112.7S463 T469S463-Q465 PolarHBondContact O-N 3.44Å; Q465-T469 WeakPolarHBondContact O-CB 3.46Å; Q465-T469 PolarHBondContact O-N 2.76Å; Q465-T469 PolarHBondContact O-OG1 2.85Å
466E87.6Confident85.8Confident26 Ų2645.2 Ų45.212%0.12125%0.246CC..Hα-helixtrans-65.9-43.7179.3-60.4-54.9120.400110.9K406 K447 S464 T469 L470K406-E466 IonicContact NZ-OE1 2.82Å; K406-E466 PolarHBondContact NZ-OE1 2.9Å; K406-E466 IonicContact NZ-OE2 3.27Å; K406-E466 PolarHBondContact NZ-OE2 2.79Å; K447-E466 PolarHBondContact N-OE2 2.92Å; K447-E466 VanDerWaalsContact N-OE2 3.12Å; S464-E466 PolarHBondContact O-N 3.39Å; E466-T469 PolarHBondContact O-N 2.91Å; E466-L470 WeakPolarHBondContact O-CB 3.22Å; E466-L470 PolarHBondContact O-N 3.14Å
467V88.6Confident86Confident0 Ų045.8 Ų45.80%025%0.253CS..Hα-helixtrans-67.1-44.2178.3179.90000111.1I450 L451 M461 S464 T469 L470 I471 F513I450-V467 HydrophobicContact CD1-CG2 4.1Å; I450-V467 HydrophobicContact CG1-CG2 3.87Å; L451-V467 HydrophobicContact CB-CG2 4.27Å; M461-V467 HydrophobicContact CG-CB 4.47Å; M461-V467 HydrophobicContact CG-CG1 3.64Å; M461-V467 HydrophobicContact SD-CG1 4.36Å; S464-V467 PolarHBondContact O-N 3.06Å; V467-T469 VanDerWaalsContact C-N 3.3Å; V467-T469 PolarHBondContact O-N 2.83Å; V467-L470 WeakPolarHBondContact O-CB 3.32Å; V467-L470 PolarHBondContact O-N 3.26Å; V467-I471 HydrophobicContact CG1-CD1 3.65Å; V467-I471 HydrophobicContact CG1-CG1 4.28Å; V467-I471 WeakPolarHBondContact O-CD1 3.32Å; V467-I471 VanDerWaalsContact O-CG1 3.26Å; V467-I471 WeakPolarHBondContact O-CG1 3.15Å; V467-I471 PolarHBondContact O-N 3.21Å; V467-F513 HydrophobicContact CG1-CD2 4.37Å; V467-F513 HydrophobicContact CG1-CE2 3.74Å; V467-F513 HydrophobicContact CG1-CZ 4.48Å
468A85.8Confident86.3Confident33 Ų3338.6 Ų38.627%0.27323%0.226SC..Hα-helixtrans-60.7-39.617600000112.2S464 T472S464-A468 VanDerWaalsContact O-CB 3.29Å; S464-A468 WeakPolarHBondContact O-CB 3.24Å; S464-A468 PolarHBondContact O-N 3.34Å; A468-T472 WeakPolarHBondContact O-CB 3.4Å; A468-T472 PolarHBondContact O-N 3.36Å; A468-T472 PolarHBondContact O-OG1 2.75Å
469T88Confident86.2Confident9 Ų936.3 Ų36.36%0.05522%0.22CC..Hα-helixtrans-64.9-43.9175.4-560000110.9P404 L444 Q465 E466 V467 T472 A473P404-T469 HydrophobicContact CB-CG2 4.41Å; P404-T469 HydrophobicContact CG-CG2 4.14Å; L444-T469 HydrophobicContact CD1-CG2 3.77Å; Q465-T469 WeakPolarHBondContact O-CB 3.46Å; Q465-T469 PolarHBondContact O-N 2.76Å; Q465-T469 PolarHBondContact O-OG1 2.85Å; E466-T469 PolarHBondContact O-N 2.91Å; V467-T469 VanDerWaalsContact C-N 3.3Å; V467-T469 PolarHBondContact O-N 2.83Å; T469-T472 PolarHBondContact O-N 2.86Å; T469-A473 WeakPolarHBondContact O-CB 3.39Å; T469-A473 PolarHBondContact O-N 3.27Å
470L91.6Very high85.9Confident0 Ų038.2 Ų38.20%022%0.221CC..Hα-helixtrans-61-49.7176.5178.860.3000111.9L422 L444 I450 E466 V467 T472 A473 L474 L510 F513L422-L470 HydrophobicContact CD1-CD1 4.04Å; L422-L470 HydrophobicContact CD2-CD1 3.69Å; L444-L470 HydrophobicContact CD2-CD1 4.04Å; I450-L470 HydrophobicContact CD1-CD2 4.13Å; E466-L470 WeakPolarHBondContact O-CB 3.22Å; E466-L470 PolarHBondContact O-N 3.14Å; V467-L470 WeakPolarHBondContact O-CB 3.32Å; V467-L470 PolarHBondContact O-N 3.26Å; L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 2.77Å; L470-A473 PolarHBondContact O-N 2.98Å; L470-A473 VanDerWaalsContact O-N 3.17Å; L470-L474 HydrophobicContact CD1-CD1 4.09Å; L470-L474 HydrophobicContact CD1-CG 4.2Å; L470-L474 HydrophobicContact CG-CD1 4.05Å; L470-L474 VanDerWaalsContact O-CG 3.32Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 3.02Å; L470-L510 HydrophobicContact CD2-CD2 4.18Å; L470-F513 HydrophobicContact CD2-CD1 3.7Å; L470-F513 HydrophobicContact CD2-CE1 3.52Å; L470-F513 HydrophobicContact CD2-CG 4.4Å; L470-F513 HydrophobicContact CD2-CZ 4.08Å; L470-F513 HydrophobicContact CG-CE1 4.14Å
471I89.3Confident85.4Confident19 Ų1938.5 Ų38.510%0.09723%0.228CC..Hα-helixtrans-57.8-43.8177.5-65.4155.9000110.8L462 V467 L474 G475 I478 F513 M518L462-I471 HydrophobicContact CD2-CD1 4.21Å; V467-I471 HydrophobicContact CG1-CD1 3.65Å; V467-I471 HydrophobicContact CG1-CG1 4.28Å; V467-I471 WeakPolarHBondContact O-CD1 3.32Å; V467-I471 VanDerWaalsContact O-CG1 3.26Å; V467-I471 WeakPolarHBondContact O-CG1 3.15Å; V467-I471 PolarHBondContact O-N 3.21Å; I471-L474 PolarHBondContact O-N 3.34Å; I471-G475 PolarHBondContact O-N 3.17Å; I471-G475 VanDerWaalsContact O-N 3.13Å; I471-I478 HydrophobicContact CD1-CB 4.16Å; I471-I478 HydrophobicContact CD1-CD1 3.61Å; I471-I478 HydrophobicContact CD1-CG1 4.49Å; I471-I478 HydrophobicContact CD1-CG2 3.82Å; I471-I478 HydrophobicContact CG1-CB 4.22Å; I471-I478 HydrophobicContact CG1-CD1 3.86Å; I471-I478 HydrophobicContact CG1-CG2 4.35Å; I471-I478 HydrophobicContact CG2-CB 4.07Å; I471-I478 HydrophobicContact CG2-CG2 4.07Å; I471-F513 HydrophobicContact CG1-CZ 4.11Å; I471-M518 HydrophobicContact CG1-CE 4.41Å
472T87.5Confident85.1Confident85 Ų8541.7 Ų41.752%0.52124%0.243SC..Hα-helixtrans-64.5-41.3179.1-56.10000111.4L403 A468 T469 L470 G475L403-T472 HydrophobicContact CD2-CG2 4.09Å; A468-T472 WeakPolarHBondContact O-CB 3.4Å; A468-T472 PolarHBondContact O-N 3.36Å; A468-T472 PolarHBondContact O-OG1 2.75Å; T469-T472 PolarHBondContact O-N 2.86Å; L470-T472 VanDerWaalsContact C-N 3.28Å; L470-T472 PolarHBondContact O-N 2.77Å; T472-G475 PolarHBondContact O-N 3.28Å
473A91.6Very high85.3Confident6 Ų641.1 Ų41.15%0.0524%0.238CC..Hα-helixtrans-62.7-46.2176.600000111.3L407 L420 L444 T469 L470 G475 Y490L407-A473 HydrophobicContact CD1-CB 4.47Å; L407-A473 HydrophobicContact CD2-CB 3.99Å; L420-A473 HydrophobicContact CD2-CB 4.44Å; L444-A473 HydrophobicContact CD2-CB 4.06Å; T469-A473 WeakPolarHBondContact O-CB 3.39Å; T469-A473 PolarHBondContact O-N 3.27Å; L470-A473 PolarHBondContact O-N 2.98Å; L470-A473 VanDerWaalsContact O-N 3.17Å; A473-G475 VanDerWaalsContact C-N 3.31Å; A473-G475 PolarHBondContact O-N 2.78Å; A473-Y490 VanDerWaalsContact O-CE2 3.22Å; A473-Y490 WeakPolarHBondContact O-CE2 3.34Å
474L93.4Very high85.6Confident0 Ų039.1 Ų39.10%022%0.22CC..Hα-helixtrans-64.5-32.4-178.8-66.9171000113L420 L470 I471 C476 L488 R489 I493 F513 F514 M518L420-L474 HydrophobicContact CD2-CD2 3.92Å; L470-L474 HydrophobicContact CD1-CD1 4.09Å; L470-L474 HydrophobicContact CD1-CG 4.2Å; L470-L474 HydrophobicContact CG-CD1 4.05Å; L470-L474 VanDerWaalsContact O-CG 3.32Å; L470-L474 WeakPolarHBondContact O-CG 3.45Å; L470-L474 PolarHBondContact O-N 3.02Å; I471-L474 PolarHBondContact O-N 3.34Å; L474-C476 PolarHBondContact O-N 2.87Å; L474-C476 VanDerWaalsContact O-N 3.13Å; L474-L488 HydrophobicContact CB-CD1 4.14Å; L474-L488 HydrophobicContact CD2-CD1 4.05Å; L474-R489 WeakPolarHBondContact O-CB 3.24Å; L474-R489 PolarHBondContact O-N 3.41Å; L474-I493 HydrophobicContact CD2-CD1 3.53Å; L474-I493 HydrophobicContact CD2-CG1 3.93Å; L474-F513 HydrophobicContact CD1-CE1 4.34Å; L474-F514 HydrophobicContact CD1-CE1 3.9Å; L474-F514 HydrophobicContact CD1-CZ 4.43Å; L474-M518 HydrophobicContact CD1-CE 3.97Å; L474-M518 HydrophobicContact CD1-SD 3.64Å
475G89.3Confident85.8Confident43 Ų4338.8 Ų38.844%0.44322%0.217SC..  trans75.4-4.4171.800000115.9I471 T472 A473I471-G475 PolarHBondContact O-N 3.17Å; I471-G475 VanDerWaalsContact O-N 3.13Å; T472-G475 PolarHBondContact O-N 3.28Å; A473-G475 VanDerWaalsContact C-N 3.31Å; A473-G475 PolarHBondContact O-N 2.78Å
476C89.4Confident86Confident2 Ų237.8 Ų37.81%0.01422%0.216CC..SBendtrans-85.2-3.5179.157.50000114.3L474 Y483 N484 L488L474-C476 PolarHBondContact O-N 2.87Å; L474-C476 VanDerWaalsContact O-N 3.13Å; C476-Y483 HydrophobicContact CB-CD2 4.32Å; C476-Y483 HydrophobicContact CB-CE2 4.36Å; C476-Y483 CarbonylContact O-C 3.6Å; C476-Y483 VanDerWaalsContact O-CA 3.26Å; C476-Y483 WeakPolarHBondContact O-CA 3.36Å; C476-N484 VanDerWaalsContact CB-O 3.25Å; C476-N484 WeakPolarHBondContact CB-O 3.34Å; C476-N484 PolarHBondContact O-N 2.8Å; C476-L488 HydrophobicContact CB-CB 4.4Å; C476-L488 HydrophobicContact CB-CD1 4.42Å
477G85.6Confident86.2Confident19 Ų1943.2 Ų43.220%0.19624%0.239CC..  trans74.2-175.7-171.900000112.7M518G477-M518 WeakPolarHBondContact O-CE 3.3Å
478I85.2Confident86.5Confident4 Ų443.3 Ų43.32%0.02124%0.239CC..  trans-147.2148.5177.4-165.6166000111.6R389 F458 M461 L462 I471 F513 Q517 M518R389-I478 PolarHBondContact NH2-O 3.48Å; F458-I478 HydrophobicContact CE2-CG1 4.22Å; F458-I478 HydrophobicContact CZ-CG1 4.48Å; F458-I478 HydrophobicContact CZ-CG2 4.12Å; M461-I478 HydrophobicContact CE-CD1 3.37Å; M461-I478 HydrophobicContact CE-CG1 4.18Å; M461-I478 HydrophobicContact SD-CD1 3.95Å; L462-I478 HydrophobicContact CD2-CG2 3.73Å; I471-I478 HydrophobicContact CD1-CB 4.16Å; I471-I478 HydrophobicContact CD1-CD1 3.61Å; I471-I478 HydrophobicContact CD1-CG1 4.49Å; I471-I478 HydrophobicContact CD1-CG2 3.82Å; I471-I478 HydrophobicContact CG1-CB 4.22Å; I471-I478 HydrophobicContact CG1-CD1 3.86Å; I471-I478 HydrophobicContact CG1-CG2 4.35Å; I471-I478 HydrophobicContact CG2-CB 4.07Å; I471-I478 HydrophobicContact CG2-CG2 4.07Å; I478-F513 HydrophobicContact CD1-CE2 3.94Å; I478-F513 HydrophobicContact CD1-CZ 4.15Å; I478-Q517 HydrophobicContact CD1-CB 3.96Å; I478-Q517 HydrophobicContact CD1-CG 4.2Å; I478-Q517 HydrophobicContact CG1-CB 4.32Å; I478-M518 HydrophobicContact CB-CE 4.34Å; I478-M518 HydrophobicContact CD1-CE 4.35Å; I478-M518 HydrophobicContact CG1-CE 4.31Å
479G76.8Confident86.9Confident15 Ų1544 Ų4416%0.15524%0.235CC..SBendtrans75.6165.9-179.200000112.9D481 E482 Y483G479-D481 VanDerWaalsContact C-N 3.31Å; G479-D481 PolarHBondContact O-N 3.09Å; G479-D481 VanDerWaalsContact O-N 3.11Å; G479-E482 PolarHBondContact O-N 3.22Å; G479-Y483 WeakPolarHBondContact O-CB 3.23Å; G479-Y483 PolarHBondContact O-N 3.33Å
480R70Confident87.3Confident123 Ų12343.7 Ų43.746%0.46423%0.233SC..THydrogen-bonded Turntrans-56.1-35.8-162-58.1-176.5-171.9-154.5-0.1115.1E264 D313E264-R480 IonicContact OE2-CZ 2.72Å; E264-R480 IonicContact OE2-NH1 3.57Å; E264-R480 PolarHBondContact OE2-NH1 2.88Å; E264-R480 IonicContact OE2-NH2 3.59Å; D313-R480 IonicContact OD1-CZ 3.48Å; D313-R480 IonicContact OD1-NH1 2.85Å; D313-R480 PolarHBondContact OD1-NH1 2.93Å
481D71Confident87.5Confident124 Ų12446.5 Ų46.566%0.66325%0.246SC*.THydrogen-bonded Turntrans-84.2-25.7-173.8-62.4-39.2000115.2G479G479-D481 VanDerWaalsContact C-N 3.31Å; G479-D481 PolarHBondContact O-N 3.09Å; G479-D481 VanDerWaalsContact O-N 3.11Å
482E78Confident87.8Confident67 Ų6746.6 Ų46.631%0.31325%0.248SC..THydrogen-bonded Turntrans-119-24.7-171.6-68.3-168.2148.700113.3R389 R393 G479 N484R389-E482 IonicContact CZ-OE2 2.82Å; R389-E482 IonicContact NH1-OE2 2.7Å; R389-E482 PolarHBondContact NH1-OE2 2.9Å; R393-E482 IonicContact CZ-OE1 3.42Å; R393-E482 IonicContact NE-OE1 3.56Å; R393-E482 IonicContact NH2-OE1 2.66Å; R393-E482 PolarHBondContact NH2-OE1 2.69Å; G479-E482 PolarHBondContact O-N 3.22Å; E482-N484 PolarHBondContact O-N 3.48Å
483Y87.3Confident88.3Confident33 Ų3342.6 Ų42.613%0.12922%0.223CC..  trans-65.7121.1180173.6-115.4000110.1C476 G479 P485 M518 E520 I521C476-Y483 HydrophobicContact CB-CD2 4.32Å; C476-Y483 HydrophobicContact CB-CE2 4.36Å; C476-Y483 CarbonylContact O-C 3.6Å; C476-Y483 VanDerWaalsContact O-CA 3.26Å; C476-Y483 WeakPolarHBondContact O-CA 3.36Å; G479-Y483 WeakPolarHBondContact O-CB 3.23Å; G479-Y483 PolarHBondContact O-N 3.33Å; Y483-P485 HydrophobicContact CE1-CG 4.46Å; Y483-P485 HydrophobicContact CE2-CB 4.47Å; Y483-M518 HydrophobicContact CD2-CG 4.33Å; Y483-M518 HydrophobicContact CE2-CB 4.04Å; Y483-M518 HydrophobicContact CE2-CG 3.77Å; Y483-M518 HydrophobicContact CE2-SD 4.43Å; Y483-E520 WeakPolarHBondContact CE1-OE2 3.33Å; Y483-E520 PolarHBondContact OH-OE2 3.36Å; Y483-I521 HydrophobicContact CE2-CD1 4.27Å
484N88.2Confident88.6Confident54 Ų5442.3 Ų42.329%0.28922%0.221SC..  trans-135.3108.2172.1-179-18.3000107.9C476 E482 D486 K487C476-N484 VanDerWaalsContact CB-O 3.25Å; C476-N484 WeakPolarHBondContact CB-O 3.34Å; C476-N484 PolarHBondContact O-N 2.8Å; E482-N484 PolarHBondContact O-N 3.48Å; N484-D486 PolarHBondContact O-N 3Å; N484-D486 VanDerWaalsContact O-N 3.17Å; N484-D486 WeakPolarHBondContact OD1-CA 3.4Å; N484-D486 VanDerWaalsContact OD1-CB 3.26Å; N484-D486 WeakPolarHBondContact OD1-CB 3.3Å; N484-D486 PolarHBondContact OD1-N 3.3Å; N484-K487 HydrophobicContact CB-CB 4.47Å; N484-K487 HydrophobicContact CB-CD 4.16Å; N484-K487 HydrophobicContact CB-CG 4.13Å; N484-K487 PolarHBondContact O-N 3.5Å
485P90.8Very high88.8Confident18 Ų1842.3 Ų42.312%0.11722%0.221CC..G310 helixtrans-62.3-22.1-179.125.8-34.5000113.1Y483 K487 L488 E520Y483-P485 HydrophobicContact CE1-CG 4.46Å; Y483-P485 HydrophobicContact CE2-CB 4.47Å; P485-K487 PolarHBondContact O-N 3.37Å; P485-L488 VanDerWaalsContact O-CB 3.23Å; P485-L488 WeakPolarHBondContact O-CB 3.45Å; P485-L488 PolarHBondContact O-N 3.09Å; P485-E520 HydrophobicContact CB-CB 4.33Å; P485-E520 HydrophobicContact CG-CB 4.34Å
486D91.7Very high89Confident114 Ų11440.3 Ų40.361%0.6120%0.2SC*.G310 helixtrans-73.6-12.7176.4-54.1-29.7000113.1N484 R524N484-D486 PolarHBondContact O-N 3Å; N484-D486 VanDerWaalsContact O-N 3.17Å; N484-D486 WeakPolarHBondContact OD1-CA 3.4Å; N484-D486 VanDerWaalsContact OD1-CB 3.26Å; N484-D486 WeakPolarHBondContact OD1-CB 3.3Å; N484-D486 PolarHBondContact OD1-N 3.3Å; D486-R524 IonicContact OD1-CZ 3.44Å; D486-R524 VanDerWaalsContact OD1-CZ 3.24Å; D486-R524 IonicContact OD1-NH1 2.89Å; D486-R524 PolarHBondContact OD1-NH1 3.43Å; D486-R524 IonicContact OD1-NH2 2.69Å; D486-R524 PolarHBondContact OD1-NH2 3.33Å
487K92Very high89.1Confident139 Ų13940.7 Ų40.760%0.60420%0.203SC*.G310 helixtrans-935174.4-67.6-174.4179.9175.90113.4N484 P485 R489N484-K487 HydrophobicContact CB-CB 4.47Å; N484-K487 HydrophobicContact CB-CD 4.16Å; N484-K487 HydrophobicContact CB-CG 4.13Å; N484-K487 PolarHBondContact O-N 3.5Å; P485-K487 PolarHBondContact O-N 3.37Å; K487-R489 PolarHBondContact O-N 3.08Å
488L94Very high89.1Confident2 Ų241.2 Ų41.21%0.0120%0.201CC..  trans-57.6129.7-179.3-176.962000110.9P415 L474 C476 P485 Y490 I493 I521 H526P415-L488 VanDerWaalsContact CB-O 3.3Å; P415-L488 WeakPolarHBondContact CB-O 3.45Å; P415-L488 WeakPolarHBondContact CG-O 3.49Å; L474-L488 HydrophobicContact CB-CD1 4.14Å; L474-L488 HydrophobicContact CD2-CD1 4.05Å; C476-L488 HydrophobicContact CB-CB 4.4Å; C476-L488 HydrophobicContact CB-CD1 4.42Å; P485-L488 VanDerWaalsContact O-CB 3.23Å; P485-L488 WeakPolarHBondContact O-CB 3.45Å; P485-L488 PolarHBondContact O-N 3.09Å; L488-Y490 WeakPolarHBondContact CD2-O 3.15Å; L488-Y490 VanDerWaalsContact CG-O 3.31Å; L488-Y490 WeakPolarHBondContact CG-O 3.46Å; L488-I493 HydrophobicContact CD1-CD1 4.29Å; L488-I493 HydrophobicContact CD2-CD1 4.42Å; L488-I521 HydrophobicContact CD1-CD1 3.8Å; L488-I521 HydrophobicContact CD2-CD1 4.11Å; L488-I521 HydrophobicContact CD2-CG1 4.21Å; L488-I521 HydrophobicContact CD2-CG2 4.06Å; L488-H526 HydrophobicContact CD2-CB 4.31Å
489R93.6Very high88.8Confident49 Ų4944.8 Ų44.819%0.18523%0.231CC..SBendtrans-76.3-24.6-177.6178.760.8-170.1-73.3-4.5113.6D409 E412 P415 L474 K487D409-R489 IonicContact OD1-CZ 3.31Å; D409-R489 IonicContact OD1-NH1 3.95Å; D409-R489 IonicContact OD1-NH2 2.93Å; D409-R489 PolarHBondContact OD1-NH2 3.42Å; D409-R489 IonicContact OD2-CZ 3.91Å; D409-R489 IonicContact OD2-NH1 3.31Å; D409-R489 PolarHBondContact OD2-NH1 2.98Å; D409-R489 IonicContact OD2-NH2 3.64Å; D409-R489 PolarHBondContact OD2-NH2 3.29Å; E412-R489 PolarHBondContact O-NH2 2.81Å; P415-R489 WeakPolarHBondContact CA-O 3.42Å; L474-R489 WeakPolarHBondContact O-CB 3.24Å; L474-R489 PolarHBondContact O-N 3.41Å; K487-R489 PolarHBondContact O-N 3.08Å
490Y96.3Very high89Confident1 Ų147.1 Ų47.10%0.00424%0.24CC..  trans-136.7118.4-174.7-46.8-85.3000110.1D409 S418 L420 A442 A473 L488 S492D409-Y490 PolarHBondContact OD1-OH 2.82Å; D409-Y490 VanDerWaalsContact OD1-OH 3.06Å; S418-Y490 WeakPolarHBondContact O-CA 3.28Å; L420-Y490 HydrophobicContact CB-CD1 3.97Å; L420-Y490 HydrophobicContact CB-CD2 3.62Å; L420-Y490 HydrophobicContact CB-CE1 4.4Å; L420-Y490 HydrophobicContact CB-CE2 4.03Å; L420-Y490 HydrophobicContact CB-CG 3.59Å; L420-Y490 HydrophobicContact CD1-CE2 4.16Å; L420-Y490 HydrophobicContact CD2-CD2 3.82Å; L420-Y490 HydrophobicContact CD2-CE2 3.92Å; L420-Y490 HydrophobicContact CG-CD2 4.21Å; L420-Y490 HydrophobicContact CG-CE2 4.26Å; A442-Y490 HydrophobicContact CB-CD1 4.49Å; A442-Y490 HydrophobicContact CB-CE1 3.61Å; A473-Y490 VanDerWaalsContact O-CE2 3.22Å; A473-Y490 WeakPolarHBondContact O-CE2 3.34Å; L488-Y490 WeakPolarHBondContact CD2-O 3.15Å; L488-Y490 VanDerWaalsContact CG-O 3.31Å; L488-Y490 WeakPolarHBondContact CG-O 3.46Å; Y490-S492 PolarHBondContact O-N 3.41Å
491H95.9Very high89.5Confident59 Ų5946.2 Ų46.227%0.27325%0.248SC..SBendtrans-79.6-6.4175-71.9-173.7000112.9P415 A416 S418 H526P415-H491 VanDerWaalsContact O-CB 3.3Å; P415-H491 WeakPolarHBondContact O-CB 3.3Å; P415-H491 PolarHBondContact O-N 2.85Å; A416-H491 WeakPolarHBondContact CA-ND1 3.31Å; S418-H491 PolarHBondContact O-N 3.09Å; H491-H526 AromaticContact CG-CE1 3.75Å; H491-H526 WeakPolarHBondContact O-CA 3.31Å; H491-H526 VanDerWaalsContact O-CB 3.27Å; H491-H526 WeakPolarHBondContact O-CB 3.21Å; H491-H526 PolarHBondContact O-ND1 3.02Å
492S96.9Very high90.2Very high22 Ų2243.9 Ų43.915%0.15424%0.235CC..EExtended strand (participates in β ladder)trans-12698.1172.3-58.30000110.9E419 L420 Y490E419-S492 CarbonylContact C-O 3.55Å; E419-S492 VanDerWaalsContact CA-O 3.32Å; E419-S492 WeakPolarHBondContact CA-O 3.39Å; L420-S492 PolarHBondContact N-O 3.2Å; Y490-S492 PolarHBondContact O-N 3.41Å
493I97.8Very high90.7Very high0 Ų040.7 Ų40.70%022%0.22CC..EExtended strand (participates in β ladder)trans-98.8113.2174.8-55.3160.7000107.8L420 L422 L474 L488 F514 I521 H526 V527 Y528L420-I493 CarbonylContact O-C 3.56Å; L420-I493 WeakPolarHBondContact O-CA 3.42Å; L422-I493 HydrophobicContact CD1-CG2 3.94Å; L422-I493 HydrophobicContact CG-CG2 4.22Å; L474-I493 HydrophobicContact CD2-CD1 3.53Å; L474-I493 HydrophobicContact CD2-CG1 3.93Å; L488-I493 HydrophobicContact CD1-CD1 4.29Å; L488-I493 HydrophobicContact CD2-CD1 4.42Å; I493-F514 HydrophobicContact CD1-CE1 4.01Å; I493-F514 HydrophobicContact CD1-CZ 4.36Å; I493-F514 HydrophobicContact CG2-CE1 4.44Å; I493-F514 HydrophobicContact CG2-CE2 4.25Å; I493-F514 HydrophobicContact CG2-CZ 3.71Å; I493-I521 HydrophobicContact CD1-CG2 3.65Å; I493-H526 PolarHBondContact N-O 3.12Å; I493-V527 CarbonylContact O-C 3.58Å; I493-V527 WeakPolarHBondContact O-CA 3.44Å; I493-Y528 PolarHBondContact O-N 3.02Å
494I97.7Very high90.7Very high0 Ų041 Ų410%023%0.227CC..EExtended strand (participates in β ladder)trans-113.6115.1-169-60.8151.1000108.9E419 L420 Y421 L422 M496 Y528 A530 M762E419-I494 HydrophobicContact CB-CD1 4.18Å; L420-I494 PolarHBondContact O-N 2.91Å; Y421-I494 CarbonylContact C-O 3.49Å; Y421-I494 WeakPolarHBondContact CA-O 3.26Å; Y421-I494 HydrophobicContact CD1-CB 4.07Å; Y421-I494 HydrophobicContact CD1-CD1 4.47Å; Y421-I494 HydrophobicContact CD1-CG2 3.79Å; Y421-I494 HydrophobicContact CD2-CD1 4.13Å; Y421-I494 HydrophobicContact CE1-CB 4.16Å; Y421-I494 HydrophobicContact CE1-CD1 3.98Å; Y421-I494 HydrophobicContact CE1-CG2 3.7Å; Y421-I494 HydrophobicContact CE2-CD1 3.57Å; Y421-I494 HydrophobicContact CG-CB 4.36Å; Y421-I494 VanDerWaalsContact CZ-CD1 3.49Å; L422-I494 PolarHBondContact N-O 2.82Å; I494-M496 PolarHBondContact O-N 3.23Å; I494-Y528 WeakPolarHBondContact CA-O 3.25Å; I494-A530 HydrophobicContact CG2-CB 3.95Å; I494-M762 HydrophobicContact CB-CE 4.45Å; I494-M762 HydrophobicContact CD1-CE 3.5Å; I494-M762 HydrophobicContact CD1-SD 4.1Å; I494-M762 HydrophobicContact CG1-CE 3.78Å; I494-M762 HydrophobicContact CG1-SD 3.92Å; I494-M762 HydrophobicContact CG2-CE 3.83Å; I494-M762 HydrophobicContact CG2-SD 4.45Å
495I96.7Very high90.9Very high0 Ų042.2 Ų42.20%023%0.231CC..EExtended strand (participates in β ladder)trans-81.5114.6173.4-58.5173.6000108L422 T497 R507 L510 L511 V527 Y528 I529 A530L422-I495 HydrophobicContact CD1-CG1 4.43Å; I495-T497 HydrophobicContact CG2-CG2 3.83Å; I495-R507 HydrophobicContact CG2-CB 4.38Å; I495-R507 HydrophobicContact CG2-CG 4.25Å; I495-L510 HydrophobicContact CD1-CB 3.87Å; I495-L510 HydrophobicContact CD1-CD1 4.31Å; I495-L510 HydrophobicContact CG1-CD1 4.13Å; I495-L510 HydrophobicContact CG2-CD1 3.81Å; I495-L511 HydrophobicContact CD1-CD2 4.08Å; I495-L511 HydrophobicContact CD1-CG 4.4Å; I495-V527 HydrophobicContact CD1-CG1 4.08Å; I495-Y528 PolarHBondContact N-O 3.36Å; I495-I529 HydrophobicContact CB-CG1 4.5Å; I495-A530 PolarHBondContact O-N 2.89Å
496M94.3Very high90.9Very high1 Ų141.5 Ų41.51%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-122.589.7-178.1-168.5171.974.600109.5Y421 L422 V423 E424 A432 I494 A530 L742 L750 T754 M755Y421-M496 HydrophobicContact CD1-CB 4.32Å; Y421-M496 HydrophobicContact CD1-CE 4.23Å; Y421-M496 HydrophobicContact CD1-SD 3.89Å; Y421-M496 HydrophobicContact CE1-SD 4.18Å; L422-M496 PolarHBondContact O-N 2.72Å; V423-M496 WeakPolarHBondContact CA-O 3.19Å; V423-M496 HydrophobicContact CB-CE 4.44Å; V423-M496 HydrophobicContact CG1-CE 3.94Å; V423-M496 HydrophobicContact CG2-CE 3.64Å; E424-M496 PolarHBondContact N-O 3.39Å; A432-M496 HydrophobicContact CB-CE 3.69Å; I494-M496 PolarHBondContact O-N 3.23Å; M496-A530 HydrophobicContact CB-CB 4.02Å; M496-A530 HydrophobicContact CG-CB 3.89Å; M496-L742 HydrophobicContact CG-CD1 3.63Å; M496-L742 HydrophobicContact CG-CD2 4.3Å; M496-L750 HydrophobicContact CE-CD1 4.46Å; M496-L750 HydrophobicContact CE-CD2 4.14Å; M496-L750 HydrophobicContact SD-CD1 4.24Å; M496-T754 HydrophobicContact CG-CG2 4.39Å; M496-T754 HydrophobicContact SD-CG2 3.8Å; M496-M755 HydrophobicContact SD-CG 4.48Å
497T91Very high91Very high10 Ų1039.5 Ų39.56%0.06121%0.21CC..  trans-115.1161.9-178.759.50000110.5E424 I495 G503 I506E424-T497 HydrophobicContact CB-CG2 4.44Å; I495-T497 HydrophobicContact CG2-CG2 3.83Å; T497-G503 PolarHBondContact OG1-O 3.41Å; T497-I506 HydrophobicContact CG2-CB 4.21Å; T497-I506 HydrophobicContact CG2-CG2 3.91Å
498D85.7Confident91.1Very high31 Ų3135.2 Ų35.217%0.16620%0.196CC..  trans-67.3156.6176.8-74.8-6.7000111.5E424 D500 L742E424-D498 PolarHBondContact OE2-N 3.47Å; D498-D500 PolarHBondContact O-N 3.47Å; D498-D500 VanDerWaalsContact O-N 3.12Å; D498-L742 WeakPolarHBondContact OD1-CB 3.47Å; D498-L742 WeakPolarHBondContact OD1-CD1 3.43Å; D498-L742 WeakPolarHBondContact OD1-CG 3.48Å; D498-L742 PolarHBondContact OD1-N 3.01Å
499A78.3Confident91.2Very high79 Ų7935.3 Ų35.365%0.65320%0.196SC*.SBendtrans-84.538.4179.300000111.8
500D81.1Confident91.3Very high64 Ų6433 Ų3334%0.34219%0.187SC..SBendtrans-120.2-172.4179.872.18.6000111.8D498 D502 G503 S504D498-D500 PolarHBondContact O-N 3.47Å; D498-D500 VanDerWaalsContact O-N 3.12Å; D500-D502 PolarHBondContact OD1-N 3.21Å; D500-D502 VanDerWaalsContact OD1-N 3.11Å; D500-G503 PolarHBondContact OD1-N 3.19Å; D500-S504 VanDerWaalsContact O-CB 3.3Å; D500-S504 WeakPolarHBondContact O-CB 3.49Å; D500-S504 PolarHBondContact O-N 2.84Å; D500-S504 VanDerWaalsContact O-N 3.09Å; D500-S504 PolarHBondContact O-OG 3.3Å
501V81.2Confident91.3Very high103 Ų10334.6 Ų34.662%0.62420%0.196SC*.Hα-helixtrans-68.2-38.8-178.2-179.60000111.8H505V501-H505 PolarHBondContact O-N 3.42Å; V501-H505 VanDerWaalsContact O-N 3.08Å
502D86.1Confident91.2Very high75 Ų7531.8 Ų31.840%0.40118%0.183SC..Hα-helixtrans-73.8-42.3-177.8-81.1-49.2000111.4K449 D500 S504 H505 I506K449-D502 WeakPolarHBondContact CE-OD1 3.11Å; K449-D502 IonicContact NZ-OD1 3.85Å; K449-D502 PolarHBondContact NZ-OD1 3.26Å; D500-D502 PolarHBondContact OD1-N 3.21Å; D500-D502 VanDerWaalsContact OD1-N 3.11Å; D502-S504 VanDerWaalsContact C-N 3.35Å; D502-S504 PolarHBondContact O-N 3.07Å; D502-H505 WeakPolarHBondContact O-CB 3.38Å; D502-H505 PolarHBondContact O-N 3.36Å; D502-H505 VanDerWaalsContact O-N 3.11Å; D502-I506 WeakPolarHBondContact O-CG1 3.35Å; D502-I506 PolarHBondContact O-N 2.92Å
503G88.2Confident91Very high0 Ų030.8 Ų30.80%018%0.176CC..Hα-helixtrans-62.4-40.9173.300000112.4E424 T497 D500 H505 I506 R507E424-G503 WeakPolarHBondContact OE2-CA 3.41Å; T497-G503 PolarHBondContact OG1-O 3.41Å; D500-G503 PolarHBondContact OD1-N 3.19Å; G503-H505 VanDerWaalsContact C-N 3.28Å; G503-H505 PolarHBondContact O-N 3.33Å; G503-I506 PolarHBondContact O-N 2.86Å; G503-R507 WeakPolarHBondContact O-CB 3.19Å; G503-R507 PolarHBondContact O-N 2.82Å
504S88.2Confident90.9Very high39 Ų3930.9 Ų30.927%0.27318%0.176SC..Hα-helixtrans-61.7-35.5173-66.30000112.7D500 D502 R507 T508D500-S504 VanDerWaalsContact O-CB 3.3Å; D500-S504 WeakPolarHBondContact O-CB 3.49Å; D500-S504 PolarHBondContact O-N 2.84Å; D500-S504 VanDerWaalsContact O-N 3.09Å; D500-S504 PolarHBondContact O-OG 3.3Å; D502-S504 VanDerWaalsContact C-N 3.35Å; D502-S504 PolarHBondContact O-N 3.07Å; S504-R507 PolarHBondContact OG-NH2 3.32Å; S504-T508 PolarHBondContact O-N 3.21Å; S504-T508 VanDerWaalsContact O-N 3.08Å; S504-T508 PolarHBondContact O-OG1 3.28Å
505H90.7Very high90.6Very high80 Ų8032.2 Ų32.237%0.3718%0.182SC..Hα-helixtrans-69.7-47.3175.5-170.8172.3000111.5K449 V501 D502 G503 R507 T508 L509K449-H505 WeakPolarHBondContact CE-ND1 3.34Å; V501-H505 PolarHBondContact O-N 3.42Å; V501-H505 VanDerWaalsContact O-N 3.08Å; D502-H505 WeakPolarHBondContact O-CB 3.38Å; D502-H505 PolarHBondContact O-N 3.36Å; D502-H505 VanDerWaalsContact O-N 3.11Å; G503-H505 VanDerWaalsContact C-N 3.28Å; G503-H505 PolarHBondContact O-N 3.33Å; H505-R507 VanDerWaalsContact C-N 3.31Å; H505-R507 PolarHBondContact O-N 3.27Å; H505-T508 WeakPolarHBondContact O-CB 3.45Å; H505-T508 PolarHBondContact O-N 3.42Å; H505-T508 VanDerWaalsContact O-N 3.16Å; H505-L509 WeakPolarHBondContact O-CG 3.4Å; H505-L509 PolarHBondContact O-N 2.86Å
506I92.5Very high90.2Very high4 Ų433 Ų332%0.02118%0.184CC..Hα-helixtrans-59.1-44.5176.6-68.4174.8000110.7E424 L446 K449 T497 D502 G503 T508 L509 L510E424-I506 HydrophobicContact CB-CD1 4.34Å; E424-I506 HydrophobicContact CG-CD1 3.66Å; E424-I506 WeakPolarHBondContact OE1-CD1 3.25Å; L446-I506 HydrophobicContact CD1-CG2 4.44Å; K449-I506 HydrophobicContact CG-CG1 4.36Å; T497-I506 HydrophobicContact CG2-CB 4.21Å; T497-I506 HydrophobicContact CG2-CG2 3.91Å; D502-I506 WeakPolarHBondContact O-CG1 3.35Å; D502-I506 PolarHBondContact O-N 2.92Å; G503-I506 PolarHBondContact O-N 2.86Å; I506-T508 VanDerWaalsContact C-N 3.34Å; I506-T508 PolarHBondContact O-N 3.24Å; I506-L509 PolarHBondContact O-N 2.9Å; I506-L510 HydrophobicContact CG2-CD1 4Å; I506-L510 HydrophobicContact CG2-CG 4.44Å; I506-L510 WeakPolarHBondContact O-CG 3.27Å; I506-L510 PolarHBondContact O-N 2.98Å
507R93.8Very high90Very high72 Ų7234.9 Ų34.927%0.27219%0.193SC..Hα-helixtrans-55.9-48174.8-177.617466.8-147.9-4.7111.5I495 G503 S504 H505 L509 L510 L511 I529I495-R507 HydrophobicContact CG2-CB 4.38Å; I495-R507 HydrophobicContact CG2-CG 4.25Å; G503-R507 WeakPolarHBondContact O-CB 3.19Å; G503-R507 PolarHBondContact O-N 2.82Å; S504-R507 PolarHBondContact OG-NH2 3.32Å; H505-R507 VanDerWaalsContact C-N 3.31Å; H505-R507 PolarHBondContact O-N 3.27Å; R507-L509 VanDerWaalsContact C-N 3.32Å; R507-L509 PolarHBondContact O-N 3.02Å; R507-L510 PolarHBondContact O-N 3.45Å; R507-L511 HydrophobicContact CG-CD1 4.04Å; R507-L511 HydrophobicContact CG-CG 4.43Å; R507-L511 WeakPolarHBondContact O-CB 3.42Å; R507-L511 VanDerWaalsContact O-CG 3.26Å; R507-L511 WeakPolarHBondContact O-CG 3.47Å; R507-L511 PolarHBondContact O-N 3.04Å; R507-I529 HydrophobicContact CG-CD1 4.5Å
508T93.9Very high90Very high48 Ų4834.4 Ų34.429%0.29419%0.191SC..Hα-helixtrans-59.3-42.1177.8-56.40000112.2S504 H505 I506 L511 T512 M781S504-T508 PolarHBondContact O-N 3.21Å; S504-T508 VanDerWaalsContact O-N 3.08Å; S504-T508 PolarHBondContact O-OG1 3.28Å; H505-T508 WeakPolarHBondContact O-CB 3.45Å; H505-T508 PolarHBondContact O-N 3.42Å; H505-T508 VanDerWaalsContact O-N 3.16Å; I506-T508 VanDerWaalsContact C-N 3.34Å; I506-T508 PolarHBondContact O-N 3.24Å; T508-L511 PolarHBondContact O-N 3.09Å; T508-T512 PolarHBondContact O-N 3.3Å; T508-T512 PolarHBondContact O-OG1 3.1Å; T508-M781 HydrophobicContact CG2-CE 4.12Å; T508-M781 HydrophobicContact CG2-CG 4.46Å; T508-M781 HydrophobicContact CG2-SD 3.61Å
509L95.1Very high90.1Very high4 Ų435 Ų352%0.02120%0.196CC..Hα-helixtrans-67.4-39.6178.7-68.2160.1000112.5K449 I450 N452 H505 I506 R507 T512 F513 M781K449-L509 HydrophobicContact CB-CD1 4.12Å; I450-L509 HydrophobicContact CG2-CB 3.26Å; I450-L509 HydrophobicContact CG2-CD1 4.04Å; I450-L509 HydrophobicContact CG2-CG 4.2Å; I450-L509 WeakPolarHBondContact O-CD1 3.48Å; N452-L509 HydrophobicContact CB-CD2 3.61Å; H505-L509 WeakPolarHBondContact O-CG 3.4Å; H505-L509 PolarHBondContact O-N 2.86Å; I506-L509 PolarHBondContact O-N 2.9Å; R507-L509 VanDerWaalsContact C-N 3.32Å; R507-L509 PolarHBondContact O-N 3.02Å; L509-T512 WeakPolarHBondContact O-CB 3.38Å; L509-T512 PolarHBondContact O-N 3.43Å; L509-F513 PolarHBondContact O-N 3.27Å; L509-M781 HydrophobicContact CD2-CE 3.41Å; L509-M781 VanDerWaalsContact CD2-CE 3.41Å; L509-M781 HydrophobicContact CG-CE 4.05Å
510L95.7Very high90.7Very high0 Ų034.3 Ų34.30%018%0.179CC..Hα-helixtrans-66.5-43175.3-74171.5000112.1L422 L446 I450 L470 I495 I506 R507 T512 F513 F514L422-L510 HydrophobicContact CB-CD1 4.39Å; L422-L510 HydrophobicContact CD1-CD1 4.19Å; L422-L510 HydrophobicContact CD1-CD2 4.07Å; L446-L510 HydrophobicContact CD1-CD1 3.83Å; L446-L510 HydrophobicContact CD1-CD2 3.98Å; L446-L510 HydrophobicContact CD1-CG 4.32Å; I450-L510 HydrophobicContact CD1-CD2 3.82Å; L470-L510 HydrophobicContact CD2-CD2 4.18Å; I495-L510 HydrophobicContact CD1-CB 3.87Å; I495-L510 HydrophobicContact CD1-CD1 4.31Å; I495-L510 HydrophobicContact CG1-CD1 4.13Å; I495-L510 HydrophobicContact CG2-CD1 3.81Å; I506-L510 HydrophobicContact CG2-CD1 4Å; I506-L510 HydrophobicContact CG2-CG 4.44Å; I506-L510 WeakPolarHBondContact O-CG 3.27Å; I506-L510 PolarHBondContact O-N 2.98Å; R507-L510 PolarHBondContact O-N 3.45Å; L510-T512 VanDerWaalsContact C-N 3.29Å; L510-T512 PolarHBondContact O-N 3.38Å; L510-F513 WeakPolarHBondContact O-CB 3.22Å; L510-F513 PolarHBondContact O-N 2.72Å; L510-F513 VanDerWaalsContact O-N 3.12Å; L510-F514 WeakPolarHBondContact O-CD2 3.49Å; L510-F514 PolarHBondContact O-N 3.17Å
511L95.7Very high91.3Very high36 Ų3631.3 Ų31.319%0.18816%0.163CC..Hα-helixtrans-61.1-41.9175.3-69174000111I495 R507 T508 F513 F514 Y515 I529 V765 F777I495-L511 HydrophobicContact CD1-CD2 4.08Å; I495-L511 HydrophobicContact CD1-CG 4.4Å; R507-L511 HydrophobicContact CG-CD1 4.04Å; R507-L511 HydrophobicContact CG-CG 4.43Å; R507-L511 WeakPolarHBondContact O-CB 3.42Å; R507-L511 VanDerWaalsContact O-CG 3.26Å; R507-L511 WeakPolarHBondContact O-CG 3.47Å; R507-L511 PolarHBondContact O-N 3.04Å; T508-L511 PolarHBondContact O-N 3.09Å; L511-F513 VanDerWaalsContact C-N 3.33Å; L511-F513 PolarHBondContact O-N 3.08Å; L511-F514 PolarHBondContact O-N 3.19Å; L511-Y515 WeakPolarHBondContact O-CB 3.4Å; L511-Y515 PolarHBondContact O-N 3.48Å; L511-I529 HydrophobicContact CD1-CD1 4.48Å; L511-V765 HydrophobicContact CD2-CB 4.44Å; L511-V765 HydrophobicContact CD2-CG1 3.86Å; L511-V765 HydrophobicContact CD2-CG2 3.75Å; L511-F777 HydrophobicContact CB-CE1 4.32Å; L511-F777 HydrophobicContact CB-CZ 4.22Å
512T94Very high91.8Very high0 Ų026.6 Ų26.60%014%0.135CC..Hα-helixtrans-59.1-44.4172.5-50.50000111.3V453 E454 T508 L509 L510 R516 F777 M781V453-T512 HydrophobicContact CG2-CG2 4.16Å; E454-T512 HydrophobicContact CB-CG2 4.16Å; T508-T512 PolarHBondContact O-N 3.3Å; T508-T512 PolarHBondContact O-OG1 3.1Å; L509-T512 WeakPolarHBondContact O-CB 3.38Å; L509-T512 PolarHBondContact O-N 3.43Å; L510-T512 VanDerWaalsContact C-N 3.29Å; L510-T512 PolarHBondContact O-N 3.38Å; T512-R516 HydrophobicContact CG2-CG 4.07Å; T512-R516 VanDerWaalsContact O-CB 3.22Å; T512-R516 WeakPolarHBondContact O-CB 3.4Å; T512-R516 WeakPolarHBondContact O-CG 3.15Å; T512-R516 PolarHBondContact O-N 3.44Å; T512-F777 HydrophobicContact CG2-CD1 4.1Å; T512-F777 WeakPolarHBondContact OG1-CD1 3.5Å; T512-F777 WeakPolarHBondContact OG1-CE1 3.22Å; T512-M781 HydrophobicContact CG2-CB 4.22Å; T512-M781 HydrophobicContact CG2-CG 4.26Å; T512-M781 WeakPolarHBondContact OG1-CG 3.42Å
513F94.1Very high92Very high1 Ų129.5 Ų29.50%0.00415%0.146CC..Hα-helixtrans-58.7-53.1177.1172.2-96.3000112.4V453 M461 V467 L470 I471 L474 I478 L509 L510 L511 R516 Q517 M518V453-F513 HydrophobicContact CG1-CD2 3.94Å; V453-F513 HydrophobicContact CG2-CB 4.33Å; M461-F513 HydrophobicContact SD-CE2 4.35Å; V467-F513 HydrophobicContact CG1-CD2 4.37Å; V467-F513 HydrophobicContact CG1-CE2 3.74Å; V467-F513 HydrophobicContact CG1-CZ 4.48Å; L470-F513 HydrophobicContact CD2-CD1 3.7Å; L470-F513 HydrophobicContact CD2-CE1 3.52Å; L470-F513 HydrophobicContact CD2-CG 4.4Å; L470-F513 HydrophobicContact CD2-CZ 4.08Å; L470-F513 HydrophobicContact CG-CE1 4.14Å; I471-F513 HydrophobicContact CG1-CZ 4.11Å; L474-F513 HydrophobicContact CD1-CE1 4.34Å; I478-F513 HydrophobicContact CD1-CE2 3.94Å; I478-F513 HydrophobicContact CD1-CZ 4.15Å; L509-F513 PolarHBondContact O-N 3.27Å; L510-F513 WeakPolarHBondContact O-CB 3.22Å; L510-F513 PolarHBondContact O-N 2.72Å; L510-F513 VanDerWaalsContact O-N 3.12Å; L511-F513 VanDerWaalsContact C-N 3.33Å; L511-F513 PolarHBondContact O-N 3.08Å; F513-R516 PolarHBondContact O-N 3.3Å; F513-Q517 HydrophobicContact CD2-CB 4.45Å; F513-Q517 HydrophobicContact CD2-CG 4.12Å; F513-Q517 HydrophobicContact CE2-CB 4.24Å; F513-Q517 HydrophobicContact CE2-CG 4.16Å; F513-Q517 WeakPolarHBondContact O-CB 3.49Å; F513-Q517 PolarHBondContact O-N 3.45Å; F513-M518 HydrophobicContact CE1-CE 4.17Å; F513-M518 HydrophobicContact CE1-SD 4.05Å; F513-M518 HydrophobicContact CZ-CE 3.87Å; F513-M518 HydrophobicContact CZ-SD 4.33Å
514F94.6Very high92.1Very high1 Ų134.1 Ų34.10%0.00416%0.163CC..Hα-helixtrans-63.4-46.3-179.8-73.4-65000111.7L422 L474 I493 L510 L511 R516 M518 V522 V527L422-F514 HydrophobicContact CD1-CE2 3.99Å; L422-F514 HydrophobicContact CD1-CZ 4.03Å; L474-F514 HydrophobicContact CD1-CE1 3.9Å; L474-F514 HydrophobicContact CD1-CZ 4.43Å; I493-F514 HydrophobicContact CD1-CE1 4.01Å; I493-F514 HydrophobicContact CD1-CZ 4.36Å; I493-F514 HydrophobicContact CG2-CE1 4.44Å; I493-F514 HydrophobicContact CG2-CE2 4.25Å; I493-F514 HydrophobicContact CG2-CZ 3.71Å; L510-F514 WeakPolarHBondContact O-CD2 3.49Å; L510-F514 PolarHBondContact O-N 3.17Å; L511-F514 PolarHBondContact O-N 3.19Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 3.05Å; F514-M518 HydrophobicContact CD1-SD 4.48Å; F514-M518 CarbonylContact O-C 3.54Å; F514-M518 WeakPolarHBondContact O-CA 3.23Å; F514-M518 PolarHBondContact O-N 3.49Å; F514-M518 VanDerWaalsContact O-O 3.14Å; F514-V522 HydrophobicContact CB-CG2 3.74Å; F514-V527 HydrophobicContact CB-CG2 4.38Å; F514-V527 HydrophobicContact CD1-CG2 4.14Å; F514-V527 HydrophobicContact CD2-CG1 4.15Å; F514-V527 HydrophobicContact CD2-CG2 4.27Å; F514-V527 HydrophobicContact CE2-CG1 4.45Å; F514-V527 HydrophobicContact CG-CG2 4.01Å
515Y92Very high92.4Very high29 Ų2932.3 Ų32.311%0.11415%0.15CC..Hα-helixtrans-60.3-41.1179-177.9-107.6000112.6L511 V767 A770 A773 D774 F777L511-Y515 WeakPolarHBondContact O-CB 3.4Å; L511-Y515 PolarHBondContact O-N 3.48Å; Y515-V767 HydrophobicContact CD2-CG2 3.86Å; Y515-V767 HydrophobicContact CE2-CG1 4.03Å; Y515-V767 HydrophobicContact CE2-CG2 3.85Å; Y515-A770 PolarHBondContact OH-O 3.27Å; Y515-A773 HydrophobicContact CE2-CB 4.05Å; Y515-D774 PolarHBondContact OH-N 2.93Å; Y515-F777 AromaticContact CD1-CD2 3.27Å; Y515-F777 HydrophobicContact CD1-CD2 3.27Å; Y515-F777 AromaticContact CD1-CE2 3.55Å; Y515-F777 HydrophobicContact CD1-CE2 3.55Å; Y515-F777 AromaticContact CD1-CG 3.97Å; Y515-F777 HydrophobicContact CD1-CG 3.97Å; Y515-F777 HydrophobicContact CD1-CZ 4.42Å; Y515-F777 HydrophobicContact CD2-CD2 4.47Å; Y515-F777 HydrophobicContact CD2-CE2 4.04Å; Y515-F777 AromaticContact CE1-CD2 3.55Å; Y515-F777 HydrophobicContact CE1-CD2 3.55Å; Y515-F777 HydrophobicContact CE1-CE2 4.1Å; Y515-F777 HydrophobicContact CE1-CG 4.37Å; Y515-F777 AromaticContact CG-CD2 3.78Å; Y515-F777 HydrophobicContact CG-CD2 3.78Å; Y515-F777 AromaticContact CG-CE2 3.51Å; Y515-F777 HydrophobicContact CG-CE2 3.51Å; Y515-F777 HydrophobicContact CG-CZ 4.22Å
516R88.4Confident92.7Very high15 Ų1529.7 Ų29.76%0.05714%0.139CC..Hα-helixtrans-85.4-33.5-174-65.6-63.7-169.8-166.18.6114.6Q263 V453 E454 T512 F513 F514 D774 T778Q263-R516 PolarHBondContact NE2-O 3.16Å; V453-R516 HydrophobicContact CG2-CB 4.3Å; E454-R516 IonicContact OE1-CZ 2.73Å; E454-R516 IonicContact OE1-NE 3.72Å; E454-R516 PolarHBondContact OE1-NE 3.3Å; E454-R516 IonicContact OE1-NH2 3.35Å; E454-R516 PolarHBondContact OE1-NH2 2.83Å; E454-R516 WeakPolarHBondContact OE2-CD 3.26Å; E454-R516 WeakPolarHBondContact OE2-CG 3.14Å; E454-R516 IonicContact OE2-CZ 3.58Å; E454-R516 IonicContact OE2-NE 3.68Å; E454-R516 PolarHBondContact OE2-NE 2.84Å; E454-R516 IonicContact OE2-NH2 3.98Å; T512-R516 HydrophobicContact CG2-CG 4.07Å; T512-R516 VanDerWaalsContact O-CB 3.22Å; T512-R516 WeakPolarHBondContact O-CB 3.4Å; T512-R516 WeakPolarHBondContact O-CG 3.15Å; T512-R516 PolarHBondContact O-N 3.44Å; F513-R516 PolarHBondContact O-N 3.3Å; F514-R516 VanDerWaalsContact C-N 3.33Å; F514-R516 PolarHBondContact O-N 3.05Å; R516-D774 IonicContact CZ-OD1 2.65Å; R516-D774 VanDerWaalsContact CZ-OD1 3.24Å; R516-D774 IonicContact NH1-OD1 3.14Å; R516-D774 PolarHBondContact NH1-OD1 3.34Å; R516-D774 PolarHBondContact NH2-O 3.03Å; R516-D774 IonicContact NH2-OD1 2.68Å; R516-D774 PolarHBondContact NH2-OD1 3.12Å; R516-T778 PolarHBondContact NH2-OG1 3.37Å; R516-T778 VanDerWaalsContact NH2-OG1 3.1Å
517Q89.3Confident92.9Very high42 Ų4229.5 Ų29.520%0.19614%0.138CC..Hα-helixtrans-110.4-20.9-171-56.9-60.1-43.900113.3V453 M461 I478 F513V453-Q517 HydrophobicContact CG2-CG 4.46Å; M461-Q517 HydrophobicContact CE-CG 4.41Å; M461-Q517 HydrophobicContact SD-CG 3.78Å; I478-Q517 HydrophobicContact CD1-CB 3.96Å; I478-Q517 HydrophobicContact CD1-CG 4.2Å; I478-Q517 HydrophobicContact CG1-CB 4.32Å; F513-Q517 HydrophobicContact CD2-CB 4.45Å; F513-Q517 HydrophobicContact CD2-CG 4.12Å; F513-Q517 HydrophobicContact CE2-CB 4.24Å; F513-Q517 HydrophobicContact CE2-CG 4.16Å; F513-Q517 WeakPolarHBondContact O-CB 3.49Å; F513-Q517 PolarHBondContact O-N 3.45Å
518M90.8Very high93.1Very high0 Ų028.5 Ų28.50%013%0.134CC..  trans-145.652-174.9-56.9179.4178.200111.8I471 L474 G477 I478 Y483 F513 F514 E520 I521I471-M518 HydrophobicContact CG1-CE 4.41Å; L474-M518 HydrophobicContact CD1-CE 3.97Å; L474-M518 HydrophobicContact CD1-SD 3.64Å; G477-M518 WeakPolarHBondContact O-CE 3.3Å; I478-M518 HydrophobicContact CB-CE 4.34Å; I478-M518 HydrophobicContact CD1-CE 4.35Å; I478-M518 HydrophobicContact CG1-CE 4.31Å; Y483-M518 HydrophobicContact CD2-CG 4.33Å; Y483-M518 HydrophobicContact CE2-CB 4.04Å; Y483-M518 HydrophobicContact CE2-CG 3.77Å; Y483-M518 HydrophobicContact CE2-SD 4.43Å; F513-M518 HydrophobicContact CE1-CE 4.17Å; F513-M518 HydrophobicContact CE1-SD 4.05Å; F513-M518 HydrophobicContact CZ-CE 3.87Å; F513-M518 HydrophobicContact CZ-SD 4.33Å; F514-M518 HydrophobicContact CD1-SD 4.48Å; F514-M518 CarbonylContact O-C 3.54Å; F514-M518 WeakPolarHBondContact O-CA 3.23Å; F514-M518 PolarHBondContact O-N 3.49Å; F514-M518 VanDerWaalsContact O-O 3.14Å; M518-E520 PolarHBondContact O-N 3.13Å; M518-I521 HydrophobicContact CB-CB 4.35Å; M518-I521 HydrophobicContact CB-CD1 3.8Å; M518-I521 HydrophobicContact CB-CG1 4.08Å; M518-I521 HydrophobicContact CG-CD1 4.2Å; M518-I521 WeakPolarHBondContact O-CB 3.31Å; M518-I521 PolarHBondContact O-N 3.38Å; M518-I521 VanDerWaalsContact O-N 3.09Å; M518-I521 HydrophobicContact SD-CD1 3.71Å
519P89.4Confident93.2Very high42 Ų4227.1 Ų27.127%0.27313%0.125SC..Hα-helixtrans-57.8-36.1-173.523-32.5000112.7I521 V522 E523P519-I521 PolarHBondContact O-N 3.13Å; P519-V522 CarbonylContact O-C 3.55Å; P519-V522 WeakPolarHBondContact O-CA 3.45Å; P519-V522 WeakPolarHBondContact O-CB 3.21Å; P519-V522 PolarHBondContact O-N 3.4Å; P519-E523 WeakPolarHBondContact O-CG 3.46Å; P519-E523 PolarHBondContact O-N 2.96Å
520E89.5Confident93.1Very high66 Ų6627.2 Ų27.231%0.30813%0.126SC..Hα-helixtrans-64.1-27.1-179-55.791.6144.100112.4Y483 P485 M518 V522 E523 R524Y483-E520 WeakPolarHBondContact CE1-OE2 3.33Å; Y483-E520 PolarHBondContact OH-OE2 3.36Å; P485-E520 HydrophobicContact CB-CB 4.33Å; P485-E520 HydrophobicContact CG-CB 4.34Å; M518-E520 PolarHBondContact O-N 3.13Å; E520-V522 VanDerWaalsContact C-N 3.32Å; E520-E523 PolarHBondContact O-N 3.03Å; E520-R524 VanDerWaalsContact O-CB 3.29Å; E520-R524 WeakPolarHBondContact O-CB 3.45Å; E520-R524 WeakPolarHBondContact O-CD 3.41Å; E520-R524 WeakPolarHBondContact O-CG 3.46Å; E520-R524 PolarHBondContact O-N 2.82Å
521I93.9Very high92.8Very high0 Ų029.5 Ų29.50%014%0.137CC..Hα-helixtrans-68.1-37.2173.5-62.9-175.9000110.2Y483 L488 I493 M518 P519 G525 H526 V527Y483-I521 HydrophobicContact CE2-CD1 4.27Å; L488-I521 HydrophobicContact CD1-CD1 3.8Å; L488-I521 HydrophobicContact CD2-CD1 4.11Å; L488-I521 HydrophobicContact CD2-CG1 4.21Å; L488-I521 HydrophobicContact CD2-CG2 4.06Å; I493-I521 HydrophobicContact CD1-CG2 3.65Å; M518-I521 HydrophobicContact CB-CB 4.35Å; M518-I521 HydrophobicContact CB-CD1 3.8Å; M518-I521 HydrophobicContact CB-CG1 4.08Å; M518-I521 HydrophobicContact CG-CD1 4.2Å; M518-I521 WeakPolarHBondContact O-CB 3.31Å; M518-I521 PolarHBondContact O-N 3.38Å; M518-I521 VanDerWaalsContact O-N 3.09Å; M518-I521 HydrophobicContact SD-CD1 3.71Å; P519-I521 PolarHBondContact O-N 3.13Å; I521-G525 PolarHBondContact O-N 3.3Å; I521-H526 HydrophobicContact CG2-CB 3.78Å; I521-H526 PolarHBondContact O-N 3.38Å; I521-V527 HydrophobicContact CG2-CG2 3.9Å
522V93.1Very high92.4Very high5 Ų529.3 Ų29.33%0.0314%0.138CC..Hα-helixtrans-71.5-41.6175-173.40000110.5F514 P519 E520 G525 V527 V765 V767F514-V522 HydrophobicContact CB-CG2 3.74Å; P519-V522 CarbonylContact O-C 3.55Å; P519-V522 WeakPolarHBondContact O-CA 3.45Å; P519-V522 WeakPolarHBondContact O-CB 3.21Å; P519-V522 PolarHBondContact O-N 3.4Å; E520-V522 VanDerWaalsContact C-N 3.32Å; V522-G525 WeakPolarHBondContact O-CA 3.35Å; V522-G525 PolarHBondContact O-N 2.84Å; V522-V527 HydrophobicContact CG2-CG2 4.07Å; V522-V765 HydrophobicContact CG1-CB 4.37Å; V522-V765 HydrophobicContact CG1-CG1 3.79Å; V522-V767 HydrophobicContact CG1-CG2 3.97Å
523E88.5Confident92Very high135 Ų13529.8 Ų29.863%0.63114%0.141SC*.Hα-helixtrans-65.8-40.3178.4-68.2170.1175.600112.5P519 E520 G525P519-E523 WeakPolarHBondContact O-CG 3.46Å; P519-E523 PolarHBondContact O-N 2.96Å; E520-E523 PolarHBondContact O-N 3.03Å; E523-G525 PolarHBondContact O-N 2.86Å; E523-G525 VanDerWaalsContact O-N 3.16Å
524R92.2Very high91.6Very high97 Ų9731.5 Ų31.537%0.36615%0.15SC..THydrogen-bonded Turntrans-67.1-9.3168.9-67.3170.9-175.1-152.7-2.2112.1D486 E520 H526 R764D486-R524 IonicContact OD1-CZ 3.44Å; D486-R524 VanDerWaalsContact OD1-CZ 3.24Å; D486-R524 IonicContact OD1-NH1 2.89Å; D486-R524 PolarHBondContact OD1-NH1 3.43Å; D486-R524 IonicContact OD1-NH2 2.69Å; D486-R524 PolarHBondContact OD1-NH2 3.33Å; E520-R524 VanDerWaalsContact O-CB 3.29Å; E520-R524 WeakPolarHBondContact O-CB 3.45Å; E520-R524 WeakPolarHBondContact O-CD 3.41Å; E520-R524 WeakPolarHBondContact O-CG 3.46Å; E520-R524 PolarHBondContact O-N 2.82Å; R524-H526 VanDerWaalsContact CB-CD2 3.47Å; R524-H526 WeakPolarHBondContact CB-CD2 3.18Å; R524-H526 WeakPolarHBondContact CB-NE2 3.32Å; R524-R764 PolarHBondContact O-NH2 3.3Å
525G93.4Very high91.3Very high1 Ų132.7 Ų32.71%0.0116%0.155CC..THydrogen-bonded Turntrans6540.4176.200000113I521 V522 E523 Y528 R764I521-G525 PolarHBondContact O-N 3.3Å; V522-G525 WeakPolarHBondContact O-CA 3.35Å; V522-G525 PolarHBondContact O-N 2.84Å; E523-G525 PolarHBondContact O-N 2.86Å; E523-G525 VanDerWaalsContact O-N 3.16Å; G525-Y528 VanDerWaalsContact O-CZ 3.28Å; G525-Y528 PolarHBondContact O-OH 3.11Å; G525-Y528 VanDerWaalsContact O-OH 3.09Å; G525-R764 PolarHBondContact O-NE 3.06Å
526H96.5Very high91.1Very high26 Ų2632.5 Ų32.512%0.1215%0.154CC..  trans-86.9-6.3176.3-64.9-42.5000113.2L488 H491 I493 I521 R524 Y528L488-H526 HydrophobicContact CD2-CB 4.31Å; H491-H526 AromaticContact CG-CE1 3.75Å; H491-H526 WeakPolarHBondContact O-CA 3.31Å; H491-H526 VanDerWaalsContact O-CB 3.27Å; H491-H526 WeakPolarHBondContact O-CB 3.21Å; H491-H526 PolarHBondContact O-ND1 3.02Å; I493-H526 PolarHBondContact N-O 3.12Å; I521-H526 HydrophobicContact CG2-CB 3.78Å; I521-H526 PolarHBondContact O-N 3.38Å; R524-H526 VanDerWaalsContact CB-CD2 3.47Å; R524-H526 WeakPolarHBondContact CB-CD2 3.18Å; R524-H526 WeakPolarHBondContact CB-NE2 3.32Å; H526-Y528 VanDerWaalsContact O-CD2 3.31Å; H526-Y528 WeakPolarHBondContact O-CD2 3.12Å; H526-Y528 WeakPolarHBondContact O-CE2 3.43Å
527V97.4Very high91.1Very high0 Ų031.8 Ų31.80%015%0.151CC..EExtended strand (participates in β ladder)trans-100128.4178.9-172.70000110.3I493 I495 F514 I521 V522 V765I493-V527 CarbonylContact O-C 3.58Å; I493-V527 WeakPolarHBondContact O-CA 3.44Å; I495-V527 HydrophobicContact CD1-CG1 4.08Å; F514-V527 HydrophobicContact CB-CG2 4.38Å; F514-V527 HydrophobicContact CD1-CG2 4.14Å; F514-V527 HydrophobicContact CD2-CG1 4.15Å; F514-V527 HydrophobicContact CD2-CG2 4.27Å; F514-V527 HydrophobicContact CE2-CG1 4.45Å; F514-V527 HydrophobicContact CG-CG2 4.01Å; I521-V527 HydrophobicContact CG2-CG2 3.9Å; V522-V527 HydrophobicContact CG2-CG2 4.07Å; V527-V765 HydrophobicContact CB-CB 4.2Å; V527-V765 HydrophobicContact CB-CG2 4.3Å; V527-V765 HydrophobicContact CG1-CB 4.31Å; V527-V765 HydrophobicContact CG1-CG2 3.92Å; V527-V765 PolarHBondContact O-N 2.78Å
528Y97.7Very high91Very high50 Ų5033.7 Ų33.720%0.19616%0.159CC..EExtended strand (participates in β ladder)trans-130.1154.7-177.1-57.8-93.2000110.4I493 I494 I495 G525 H526 M762 L763 R764I493-Y528 PolarHBondContact O-N 3.02Å; I494-Y528 WeakPolarHBondContact CA-O 3.25Å; I495-Y528 PolarHBondContact N-O 3.36Å; G525-Y528 VanDerWaalsContact O-CZ 3.28Å; G525-Y528 PolarHBondContact O-OH 3.11Å; G525-Y528 VanDerWaalsContact O-OH 3.09Å; H526-Y528 VanDerWaalsContact O-CD2 3.31Å; H526-Y528 WeakPolarHBondContact O-CD2 3.12Å; H526-Y528 WeakPolarHBondContact O-CE2 3.43Å; Y528-M762 HydrophobicContact CD1-CB 4.3Å; Y528-M762 HydrophobicContact CD1-SD 4.49Å; Y528-M762 HydrophobicContact CG-SD 4.34Å; Y528-L763 CarbonylContact C-O 3.57Å; Y528-L763 VanDerWaalsContact CA-O 3.22Å; Y528-L763 WeakPolarHBondContact CA-O 3.16Å; Y528-R764 HydrophobicContact CD1-CB 4Å; Y528-R764 HydrophobicContact CD1-CG 4.13Å; Y528-R764 HydrophobicContact CE1-CB 3.95Å; Y528-R764 HydrophobicContact CE1-CG 3.76Å
529I95.7Very high90.7Very high19 Ų1937.9 Ų37.910%0.09718%0.177CC..EExtended strand (participates in β ladder)trans-117.4124172.2-58.1159.6000107.3I495 R507 L511 M762 L763 V765I495-I529 HydrophobicContact CB-CG1 4.5Å; R507-I529 HydrophobicContact CG-CD1 4.5Å; L511-I529 HydrophobicContact CD1-CD1 4.48Å; I529-M762 WeakPolarHBondContact O-CA 3.1Å; I529-L763 HydrophobicContact CB-CB 4.28Å; I529-L763 PolarHBondContact N-O 3.11Å; I529-L763 PolarHBondContact O-N 3.05Å; I529-V765 HydrophobicContact CD1-CG2 3.87Å; I529-V765 HydrophobicContact CG1-CG2 3.98Å
530A93.5Very high90.3Very high6 Ų638.8 Ų38.85%0.0520%0.195CC..EExtended strand (participates in β ladder)trans-65.1147.4176.500000111I494 I495 M496 P532 T754I494-A530 HydrophobicContact CG2-CB 3.95Å; I495-A530 PolarHBondContact O-N 2.89Å; M496-A530 HydrophobicContact CB-CB 4.02Å; M496-A530 HydrophobicContact CG-CB 3.89Å; A530-P532 WeakPolarHBondContact O-CD 3.45Å; A530-T754 HydrophobicContact CB-CG2 3.76Å
531Q88.9Confident89.7Confident48 Ų4845.6 Ų45.622%0.22422%0.223CC..  trans-12278.5177.5-66.9-71.1-78.300109.6R761 L763Q531-R761 HydrophobicContact CB-CB 4.34Å; Q531-R761 PolarHBondContact N-O 2.84Å; Q531-L763 HydrophobicContact CG-CD1 4.34Å; Q531-L763 HydrophobicContact CG-CG 3.89Å
532P86.7Confident89.1Confident32 Ų3252.8 Ų52.821%0.20826%0.257CS..  trans-62.3151.4173.629.6-36000110.4A530 L742 T754A530-P532 WeakPolarHBondContact O-CD 3.45Å; P532-L742 HydrophobicContact CB-CD2 3.74Å; P532-L742 HydrophobicContact CG-CD2 3.88Å; P532-T754 WeakPolarHBondContact CA-OG1 3.47Å; P532-T754 HydrophobicContact CB-CG2 4.34Å
533P87.4Confident88.8Confident11 Ų1156.6 Ų56.67%0.07127%0.274CS..  trans-71.9141.4-179.530.2-35.4000111.4Y545 I546 Y739 M745 T753P533-Y545 HydrophobicContact CG-CD1 4.04Å; P533-Y545 HydrophobicContact CG-CG 4.32Å; P533-I546 CarbonylContact C-O 3.54Å; P533-I546 WeakPolarHBondContact CB-O 3.5Å; P533-Y739 WeakPolarHBondContact O-CD2 3.03Å; P533-M745 HydrophobicContact CG-CE 3.48Å; P533-M745 VanDerWaalsContact CG-CE 3.48Å; P533-T753 HydrophobicContact CG-CG2 3.8Å
534L85.7Confident88.8Confident36 Ų3654.8 Ų54.819%0.18827%0.266CS..SBendtrans-76.6-30.9175.6-17258.5000112.4I546 K547 R738 Y739L534-I546 PolarHBondContact N-O 3.09Å; L534-K547 WeakPolarHBondContact CB-O 3.35Å; L534-K547 PolarHBondContact N-O 3.22Å; L534-R738 HydrophobicContact CD1-CG 4.24Å; L534-R738 HydrophobicContact CG-CG 4.42Å; L534-R738 WeakPolarHBondContact O-CA 3.3Å; L534-Y739 PolarHBondContact O-N 2.94Å
535Y87.1Confident88.6Confident27 Ų2752.9 Ų52.911%0.10626%0.259CS..EExtended strand (participates in β ladder)trans-130.9148.2-177.3-52.8-84.1000113.5Y545 I546 D549 M552 I736 Q737 R738Y535-Y545 WeakPolarHBondContact O-CA 3.41Å; Y535-I546 HydrophobicContact CD2-CG2 4.39Å; Y535-I546 PolarHBondContact N-O 3.37Å; Y535-I546 PolarHBondContact O-N 3.47Å; Y535-D549 VanDerWaalsContact CE2-OD1 3.26Å; Y535-D549 WeakPolarHBondContact CE2-OD1 3.21Å; Y535-D549 VanDerWaalsContact CZ-OD1 3.29Å; Y535-D549 PolarHBondContact OH-OD1 2.94Å; Y535-M552 HydrophobicContact CD2-CB 4.12Å; Y535-M552 HydrophobicContact CD2-CG 4.28Å; Y535-M552 HydrophobicContact CD2-SD 4.45Å; Y535-M552 HydrophobicContact CE2-CB 4.12Å; Y535-M552 HydrophobicContact CE2-CG 4.33Å; Y535-M552 HydrophobicContact CG-SD 4.48Å; Y535-I736 HydrophobicContact CD1-CG2 3.91Å; Y535-Q737 CarbonylContact C-O 3.56Å; Y535-Q737 VanDerWaalsContact CA-O 3.28Å; Y535-Q737 WeakPolarHBondContact CA-O 3.43Å; Y535-R738 HydrophobicContact CD1-CB 3.86Å; Y535-R738 HydrophobicContact CD1-CG 3.99Å; Y535-R738 HydrophobicContact CE1-CB 3.83Å; Y535-R738 HydrophobicContact CE1-CG 3.66Å
536K88.1Confident88.2Confident24 Ų2453.1 Ų53.110%0.10426%0.26CS..EExtended strand (participates in β ladder)trans-114.5123.9160.7177.4176.1-176.7157.10108.4E543 Y545 Q737 Y739K536-E543 VanDerWaalsContact CE-CD 3.46Å; K536-E543 WeakPolarHBondContact CE-OE2 3.17Å; K536-E543 IonicContact NZ-OE1 3.04Å; K536-E543 IonicContact NZ-OE2 3.39Å; K536-E543 PolarHBondContact NZ-OE2 3.4Å; K536-Y545 HydrophobicContact CB-CD1 4.02Å; K536-Y545 HydrophobicContact CB-CE1 4.04Å; K536-Y545 HydrophobicContact CD-CE1 3.75Å; K536-Y545 HydrophobicContact CG-CD1 4.19Å; K536-Y545 HydrophobicContact CG-CE1 3.87Å; K536-Y545 PolarHBondContact NZ-OH 2.85Å; K536-Q737 HydrophobicContact CB-CB 4.39Å; K536-Q737 PolarHBondContact N-O 2.95Å; K536-Q737 PolarHBondContact O-N 3.42Å; K536-Y739 HydrophobicContact CB-CE2 3.73Å; K536-Y739 WeakPolarHBondContact CD-OH 3.39Å
537V89Confident87.5Confident0 Ų055.1 Ų55.10%027%0.268CS..EExtended strand (participates in β ladder)trans-113.1134.5176.8-170.50000110.4E543 Q544 I546 M552 Y555 L734 S735 I736V537-E543 CarbonylContact O-C 3.28Å; V537-E543 WeakPolarHBondContact O-CA 3.33Å; V537-Q544 PolarHBondContact N-O 3.33Å; V537-Q544 PolarHBondContact O-N 2.9Å; V537-I546 HydrophobicContact CB-CD1 4.37Å; V537-I546 HydrophobicContact CG2-CD1 3.49Å; V537-I546 VanDerWaalsContact CG2-CD1 3.49Å; V537-I546 HydrophobicContact CG2-CG1 4.42Å; V537-M552 HydrophobicContact CG2-CE 3.89Å; V537-M552 HydrophobicContact CG2-SD 3.98Å; V537-Y555 HydrophobicContact CB-CE1 3.83Å; V537-Y555 HydrophobicContact CG1-CE1 3.68Å; V537-Y555 HydrophobicContact CG2-CD1 4.44Å; V537-Y555 HydrophobicContact CG2-CE1 3.97Å; V537-L734 HydrophobicContact CG1-CB 4.32Å; V537-L734 HydrophobicContact CG1-CD2 3.65Å; V537-L734 HydrophobicContact CG1-CG 4.43Å; V537-S735 CarbonylContact C-O 3.55Å; V537-S735 WeakPolarHBondContact CA-O 3.33Å; V537-I736 HydrophobicContact CG1-CG1 4.13Å; V537-I736 HydrophobicContact CG2-CG1 4.18Å; V537-I736 HydrophobicContact CG2-CG2 4.38Å
538K87.4Confident86.7Confident82 Ų8257.3 Ų57.336%0.35728%0.28SS..EExtended strand (participates in β ladder)trans-124.2127.2179.8-176.9170.7-172.1153.60111.3G540 Q542 E543 S735K538-G540 WeakPolarHBondContact CE-O 3.46Å; K538-Q542 WeakPolarHBondContact CA-O 3.37Å; K538-E543 HydrophobicContact CB-CG 4.21Å; K538-E543 HydrophobicContact CD-CG 4.02Å; K538-E543 WeakPolarHBondContact CD-OE1 3.05Å; K538-E543 VanDerWaalsContact CE-OE1 3.28Å; K538-E543 WeakPolarHBondContact CE-OE1 3.38Å; K538-E543 HydrophobicContact CG-CG 3.89Å; K538-E543 IonicContact NZ-OE1 3.99Å; K538-E543 PolarHBondContact NZ-OE1 2.92Å; K538-S735 PolarHBondContact N-O 3.12Å; K538-S735 PolarHBondContact O-N 3.45Å
539K83.3Confident85.8Confident88 Ų8858.5 Ų58.538%0.38329%0.29SS..EExtended strand (participates in β ladder)trans-121.898.3171.7-167.8179.6177.5-175.30108.2K541 Q542 D562 L734K539-K541 PolarHBondContact O-N 3.48Å; K539-K541 VanDerWaalsContact O-N 3.11Å; K539-Q542 PolarHBondContact N-O 3.39Å; K539-Q542 PolarHBondContact O-N 3.28Å; K539-Q542 VanDerWaalsContact O-N 3.09Å; K539-D562 IonicContact NZ-OD2 3.19Å; K539-L734 HydrophobicContact CB-CD2 3.79Å; K539-L734 HydrophobicContact CD-CD2 4.32Å; K539-L734 HydrophobicContact CG-CD2 4.14Å
540G80.7Confident84.8Confident62 Ų6262.6 Ų62.664%0.63931%0.308SS*.THydrogen-bonded Turntrans62.4-112-174.300000112.3K538K538-G540 WeakPolarHBondContact CE-O 3.46Å
541K78.6Confident84.3Confident209 Ų20963.4 Ų63.491%0.90932%0.315SS*.THydrogen-bonded Turntrans-94-12.2177.4-67.2-173.2180-178.60114.1K539K539-K541 PolarHBondContact O-N 3.48Å; K539-K541 VanDerWaalsContact O-N 3.11Å
542Q81.5Confident84.1Confident150 Ų15061.5 Ų61.570%0.70131%0.307SS*.EExtended strand (participates in β ladder)trans-86.4133.4179.2-69.1177.6-15.500109.7K538 K539K538-Q542 WeakPolarHBondContact CA-O 3.37Å; K539-Q542 PolarHBondContact N-O 3.39Å; K539-Q542 PolarHBondContact O-N 3.28Å; K539-Q542 VanDerWaalsContact O-N 3.09Å
543E86.6Confident83.8Confident86 Ų8663.7 Ų63.740%0.40232%0.316SS..EExtended strand (participates in β ladder)trans-125.7138.1178-62.9-176.9171.900108.5K536 V537 K538K536-E543 VanDerWaalsContact CE-CD 3.46Å; K536-E543 WeakPolarHBondContact CE-OE2 3.17Å; K536-E543 IonicContact NZ-OE1 3.04Å; K536-E543 IonicContact NZ-OE2 3.39Å; K536-E543 PolarHBondContact NZ-OE2 3.4Å; V537-E543 CarbonylContact O-C 3.28Å; V537-E543 WeakPolarHBondContact O-CA 3.33Å; K538-E543 HydrophobicContact CB-CG 4.21Å; K538-E543 HydrophobicContact CD-CG 4.02Å; K538-E543 WeakPolarHBondContact CD-OE1 3.05Å; K538-E543 VanDerWaalsContact CE-OE1 3.28Å; K538-E543 WeakPolarHBondContact CE-OE1 3.38Å; K538-E543 HydrophobicContact CG-CG 3.89Å; K538-E543 IonicContact NZ-OE1 3.99Å; K538-E543 PolarHBondContact NZ-OE1 2.92Å
544Q87.2Confident83.4Confident96 Ų9668.6 Ų68.645%0.44934%0.338SS..EExtended strand (participates in β ladder)trans-139.4138.7179.2-178166.7-10.700110.3V537 Y555V537-Q544 PolarHBondContact N-O 3.33Å; V537-Q544 PolarHBondContact O-N 2.9Å; Q544-Y555 HydrophobicContact CG-CE2 4.45Å
545Y87.6Confident83.4Confident57 Ų5768.4 Ų68.422%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-97.5140175-59-79.3000110.5P533 Y535 K536 Y739 Q749 T753P533-Y545 HydrophobicContact CG-CD1 4.04Å; P533-Y545 HydrophobicContact CG-CG 4.32Å; Y535-Y545 WeakPolarHBondContact O-CA 3.41Å; K536-Y545 HydrophobicContact CB-CD1 4.02Å; K536-Y545 HydrophobicContact CB-CE1 4.04Å; K536-Y545 HydrophobicContact CD-CE1 3.75Å; K536-Y545 HydrophobicContact CG-CD1 4.19Å; K536-Y545 HydrophobicContact CG-CE1 3.87Å; K536-Y545 PolarHBondContact NZ-OH 2.85Å; Y545-Y739 HydrophobicContact CD1-CE2 4.29Å; Y545-Y739 HydrophobicContact CE1-CE2 4.36Å; Y545-Q749 WeakPolarHBondContact OH-CG 3.47Å; Y545-T753 HydrophobicContact CD1-CG2 3.61Å; Y545-T753 HydrophobicContact CD2-CG2 3.42Å; Y545-T753 VanDerWaalsContact CD2-CG2 3.42Å; Y545-T753 HydrophobicContact CE1-CG2 3.84Å; Y545-T753 HydrophobicContact CE2-CG2 3.67Å; Y545-T753 HydrophobicContact CG-CG2 3.4Å; Y545-T753 VanDerWaalsContact CG-CG2 3.4Å
546I85.8Confident83.2Confident6 Ų667.9 Ų67.93%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-128.7128.9-174.9-61.7174.9000108.4P533 L534 Y535 V537 A551 M552 Y555P533-I546 CarbonylContact C-O 3.54Å; P533-I546 WeakPolarHBondContact CB-O 3.5Å; L534-I546 PolarHBondContact N-O 3.09Å; Y535-I546 HydrophobicContact CD2-CG2 4.39Å; Y535-I546 PolarHBondContact N-O 3.37Å; Y535-I546 PolarHBondContact O-N 3.47Å; V537-I546 HydrophobicContact CB-CD1 4.37Å; V537-I546 HydrophobicContact CG2-CD1 3.49Å; V537-I546 VanDerWaalsContact CG2-CD1 3.49Å; V537-I546 HydrophobicContact CG2-CG1 4.42Å; I546-A551 HydrophobicContact CG2-CB 3.7Å; I546-M552 HydrophobicContact CD1-SD 3.37Å; I546-M552 WeakPolarHBondContact CD1-SD 3.45Å; I546-M552 HydrophobicContact CG2-CB 3.85Å; I546-M552 VanDerWaalsContact CG2-N 3.26Å; I546-M552 HydrophobicContact CG2-SD 4.33Å; I546-Y555 HydrophobicContact CD1-CD1 3.31Å; I546-Y555 HydrophobicContact CD1-CD2 4.3Å; I546-Y555 HydrophobicContact CD1-CE1 3.84Å; I546-Y555 HydrophobicContact CD1-CG 3.53Å; I546-Y555 HydrophobicContact CG1-CG 4.48Å
547K80.8Confident82.8Confident69 Ų6968.5 Ų68.530%0.334%0.338SS..  trans-67.6-54.5-168.2-179.8-171.7162.5-123.40112.9L534L534-K547 WeakPolarHBondContact CB-O 3.35Å; L534-K547 PolarHBondContact N-O 3.22Å
548D80.6Confident82.5Confident45 Ų4572 Ų7224%0.24136%0.362CS..SBendtrans-145.7177.4-169.447.735.8000110.1E550 A551 M552D548-E550 VanDerWaalsContact C-N 3.28Å; D548-E550 PolarHBondContact O-N 3.33Å; D548-A551 PolarHBondContact O-N 2.95Å; D548-A551 VanDerWaalsContact OD1-CB 3.25Å; D548-A551 WeakPolarHBondContact OD1-CB 3.46Å; D548-A551 PolarHBondContact OD1-N 2.89Å; D548-M552 PolarHBondContact O-N 3.46Å
549D79.3Confident82.4Confident76 Ų7668.7 Ų68.741%0.40635%0.349SS..Hα-helixtrans-61.8-36.3180-64.2-40.1000112Y535 M552 D553Y535-D549 VanDerWaalsContact CE2-OD1 3.26Å; Y535-D549 WeakPolarHBondContact CE2-OD1 3.21Å; Y535-D549 VanDerWaalsContact CZ-OD1 3.29Å; Y535-D549 PolarHBondContact OH-OD1 2.94Å; D549-M552 WeakPolarHBondContact O-CA 3.48Å; D549-M552 WeakPolarHBondContact O-CB 3.48Å; D549-M552 PolarHBondContact O-N 2.98Å; D549-M552 VanDerWaalsContact O-N 3.14Å; D549-D553 PolarHBondContact O-N 3.42Å
550E76.2Confident82.4Confident104 Ų10464.7 Ų64.749%0.48633%0.332SS..Hα-helixtrans-65-44.6177.8174.2162.9-14500112.3D548 M552 D553 Q554 K592D548-E550 VanDerWaalsContact C-N 3.28Å; D548-E550 PolarHBondContact O-N 3.33Å; E550-M552 PolarHBondContact O-N 2.81Å; E550-D553 PolarHBondContact O-N 3.26Å; E550-Q554 WeakPolarHBondContact O-CG 3.42Å; E550-Q554 PolarHBondContact O-N 2.97Å; E550-Q554 VanDerWaalsContact O-N 3.09Å; E550-K592 IonicContact OE1-NZ 2.97Å; E550-K592 PolarHBondContact OE1-NZ 3.37Å
551A82.6Confident82.6Confident23 Ų2362.5 Ų62.519%0.1931%0.305CS..Hα-helixtrans-64.8-32.1173.600000111.5I546 D548 Y555I546-A551 HydrophobicContact CG2-CB 3.7Å; D548-A551 PolarHBondContact O-N 2.95Å; D548-A551 VanDerWaalsContact OD1-CB 3.25Å; D548-A551 WeakPolarHBondContact OD1-CB 3.46Å; D548-A551 PolarHBondContact OD1-N 2.89Å; A551-Y555 VanDerWaalsContact O-CB 3.28Å; A551-Y555 WeakPolarHBondContact O-CB 3.24Å; A551-Y555 PolarHBondContact O-N 3.49Å
552M84.5Confident82.9Confident9 Ų957.3 Ų57.34%0.04429%0.288CS..Hα-helixtrans-65.6-42.7174.9-173.361.8-179.100111.5Y535 V537 I546 D548 D549 E550 Y555 Q556 I736Y535-M552 HydrophobicContact CD2-CB 4.12Å; Y535-M552 HydrophobicContact CD2-CG 4.28Å; Y535-M552 HydrophobicContact CD2-SD 4.45Å; Y535-M552 HydrophobicContact CE2-CB 4.12Å; Y535-M552 HydrophobicContact CE2-CG 4.33Å; Y535-M552 HydrophobicContact CG-SD 4.48Å; V537-M552 HydrophobicContact CG2-CE 3.89Å; V537-M552 HydrophobicContact CG2-SD 3.98Å; I546-M552 HydrophobicContact CD1-SD 3.37Å; I546-M552 WeakPolarHBondContact CD1-SD 3.45Å; I546-M552 HydrophobicContact CG2-CB 3.85Å; I546-M552 VanDerWaalsContact CG2-N 3.26Å; I546-M552 HydrophobicContact CG2-SD 4.33Å; D548-M552 PolarHBondContact O-N 3.46Å; D549-M552 WeakPolarHBondContact O-CA 3.48Å; D549-M552 WeakPolarHBondContact O-CB 3.48Å; D549-M552 PolarHBondContact O-N 2.98Å; D549-M552 VanDerWaalsContact O-N 3.14Å; E550-M552 PolarHBondContact O-N 2.81Å; M552-Y555 PolarHBondContact O-N 2.74Å; M552-Y555 HydrophobicContact SD-CD1 4.38Å; M552-Q556 HydrophobicContact CE-CG 4.14Å; M552-Q556 VanDerWaalsContact CE-NE2 3.3Å; M552-Q556 WeakPolarHBondContact O-CB 3.34Å; M552-Q556 VanDerWaalsContact O-CG 3.25Å; M552-Q556 WeakPolarHBondContact O-CG 3.44Å; M552-Q556 PolarHBondContact O-N 3.08Å; M552-I736 HydrophobicContact CE-CD1 3.42Å; M552-I736 VanDerWaalsContact CE-CD1 3.42Å; M552-I736 HydrophobicContact CE-CG1 3.84Å; M552-I736 HydrophobicContact CE-CG2 3.92Å
553D79Confident83Confident77 Ų7752.7 Ų52.741%0.41228%0.28SS..Hα-helixtrans-62.3-47.4176.2-70.2-19.4000111.3D549 E550 Y555 Q556 I557D549-D553 PolarHBondContact O-N 3.42Å; E550-D553 PolarHBondContact O-N 3.26Å; D553-Y555 VanDerWaalsContact C-N 3.32Å; D553-Y555 PolarHBondContact O-N 3.45Å; D553-Q556 PolarHBondContact O-N 3.31Å; D553-I557 WeakPolarHBondContact O-CD1 3.33Å; D553-I557 VanDerWaalsContact O-CG1 3.27Å; D553-I557 WeakPolarHBondContact O-CG1 3.42Å; D553-I557 PolarHBondContact O-N 2.87Å
554Q80.9Confident83.2Confident114 Ų11448.8 Ų48.853%0.53326%0.262SS..Hα-helixtrans-59.5-43.1176.7-71.2178.1-4.800112.2E550 I557 S558E550-Q554 WeakPolarHBondContact O-CG 3.42Å; E550-Q554 PolarHBondContact O-N 2.97Å; E550-Q554 VanDerWaalsContact O-N 3.09Å; Q554-I557 PolarHBondContact O-N 3.12Å; Q554-S558 PolarHBondContact O-N 3.4Å
555Y84.3Confident83.4Confident32 Ų3245.8 Ų45.813%0.12525%0.251CS..Hα-helixtrans-64.4-42.5177176.4-105.1000112.1V537 Q544 I546 A551 M552 D553 I557 S558 I559V537-Y555 HydrophobicContact CB-CE1 3.83Å; V537-Y555 HydrophobicContact CG1-CE1 3.68Å; V537-Y555 HydrophobicContact CG2-CD1 4.44Å; V537-Y555 HydrophobicContact CG2-CE1 3.97Å; Q544-Y555 HydrophobicContact CG-CE2 4.45Å; I546-Y555 HydrophobicContact CD1-CD1 3.31Å; I546-Y555 HydrophobicContact CD1-CD2 4.3Å; I546-Y555 HydrophobicContact CD1-CE1 3.84Å; I546-Y555 HydrophobicContact CD1-CG 3.53Å; I546-Y555 HydrophobicContact CG1-CG 4.48Å; A551-Y555 VanDerWaalsContact O-CB 3.28Å; A551-Y555 WeakPolarHBondContact O-CB 3.24Å; A551-Y555 PolarHBondContact O-N 3.49Å; M552-Y555 PolarHBondContact O-N 2.74Å; M552-Y555 HydrophobicContact SD-CD1 4.38Å; D553-Y555 VanDerWaalsContact C-N 3.32Å; D553-Y555 PolarHBondContact O-N 3.45Å; Y555-I557 VanDerWaalsContact C-N 3.32Å; Y555-I557 PolarHBondContact O-N 2.92Å; Y555-S558 PolarHBondContact O-N 3.41Å; Y555-I559 HydrophobicContact CD1-CD1 4.01Å; Y555-I559 HydrophobicContact CD2-CD1 4.38Å; Y555-I559 HydrophobicContact CE1-CD1 3.31Å; Y555-I559 HydrophobicContact CE1-CG1 4.37Å; Y555-I559 HydrophobicContact CE2-CD1 3.73Å; Y555-I559 HydrophobicContact CE2-CG1 4.22Å; Y555-I559 PolarHBondContact O-N 3.46Å; Y555-I559 WeakPolarHBondContact OH-CD1 3.28Å
556Q82.4Confident83.6Confident16 Ų1643.1 Ų43.18%0.07524%0.24CC..Hα-helixtrans-62-40.2175.7-74.6178.123.700111.9M552 D553 A560M552-Q556 HydrophobicContact CE-CG 4.14Å; M552-Q556 VanDerWaalsContact CE-NE2 3.3Å; M552-Q556 WeakPolarHBondContact O-CB 3.34Å; M552-Q556 VanDerWaalsContact O-CG 3.25Å; M552-Q556 WeakPolarHBondContact O-CG 3.44Å; M552-Q556 PolarHBondContact O-N 3.08Å; D553-Q556 PolarHBondContact O-N 3.31Å; Q556-A560 WeakPolarHBondContact O-CB 3.48Å; Q556-A560 PolarHBondContact O-N 2.78Å
557I80.9Confident83.9Confident38 Ų3844.4 Ų44.420%0.19525%0.246CC..Hα-helixtrans-61.3-48.7174.6-70.3157000110.5D553 Q554 Y555 I559 A560 L561 V584 N588D553-I557 WeakPolarHBondContact O-CD1 3.33Å; D553-I557 VanDerWaalsContact O-CG1 3.27Å; D553-I557 WeakPolarHBondContact O-CG1 3.42Å; D553-I557 PolarHBondContact O-N 2.87Å; Q554-I557 PolarHBondContact O-N 3.12Å; Y555-I557 VanDerWaalsContact C-N 3.32Å; Y555-I557 PolarHBondContact O-N 2.92Å; I557-I559 PolarHBondContact O-N 2.82Å; I557-A560 WeakPolarHBondContact O-CB 3.31Å; I557-A560 PolarHBondContact O-N 2.99Å; I557-A560 VanDerWaalsContact O-N 3.1Å; I557-L561 HydrophobicContact CG2-CD1 3.68Å; I557-L561 HydrophobicContact CG2-CG 4.39Å; I557-L561 WeakPolarHBondContact O-CB 3.32Å; I557-L561 VanDerWaalsContact O-CG 3.27Å; I557-L561 WeakPolarHBondContact O-CG 3.45Å; I557-L561 PolarHBondContact O-N 3.25Å; I557-V584 HydrophobicContact CG2-CG1 3.55Å; I557-N588 HydrophobicContact CD1-CB 4.39Å; I557-N588 WeakPolarHBondContact CD1-ND2 3.2Å
558S83Confident84.2Confident72 Ų7242.1 Ų42.150%0.50324%0.238SC..Hα-helixtrans-58.1-45.8178.8173.70000112.2Q554 Y555 A560 L561 D562Q554-S558 PolarHBondContact O-N 3.4Å; Y555-S558 PolarHBondContact O-N 3.41Å; S558-A560 VanDerWaalsContact C-N 3.32Å; S558-A560 PolarHBondContact O-N 2.85Å; S558-L561 PolarHBondContact O-N 3.26Å; S558-D562 PolarHBondContact O-N 3.44Å; S558-D562 VanDerWaalsContact O-N 3.16Å
559I83.8Confident84.4Confident14 Ų1441.4 Ų41.47%0.07223%0.234CC..Hα-helixtrans-67.5-35.4176.4-64.9-177.5000111.9Y555 I557 L561 D562 R709 L734Y555-I559 HydrophobicContact CD1-CD1 4.01Å; Y555-I559 HydrophobicContact CD2-CD1 4.38Å; Y555-I559 HydrophobicContact CE1-CD1 3.31Å; Y555-I559 HydrophobicContact CE1-CG1 4.37Å; Y555-I559 HydrophobicContact CE2-CD1 3.73Å; Y555-I559 HydrophobicContact CE2-CG1 4.22Å; Y555-I559 PolarHBondContact O-N 3.46Å; Y555-I559 WeakPolarHBondContact OH-CD1 3.28Å; I557-I559 PolarHBondContact O-N 2.82Å; I559-L561 PolarHBondContact O-N 3.5Å; I559-D562 PolarHBondContact O-N 2.93Å; I559-R709 PolarHBondContact O-NH2 3.33Å; I559-L734 HydrophobicContact CD1-CD1 3.93Å; I559-L734 HydrophobicContact CD1-CD2 3.96Å; I559-L734 HydrophobicContact CG2-CD1 4.34Å
560A84.1Confident84.5Confident4 Ų441.3 Ų41.33%0.03324%0.244CC..Hα-helixtrans-65.2-32.4178.900000112Q556 I557 S558 R709 L726 V727 S730Q556-A560 WeakPolarHBondContact O-CB 3.48Å; Q556-A560 PolarHBondContact O-N 2.78Å; I557-A560 WeakPolarHBondContact O-CB 3.31Å; I557-A560 PolarHBondContact O-N 2.99Å; I557-A560 VanDerWaalsContact O-N 3.1Å; S558-A560 VanDerWaalsContact C-N 3.32Å; S558-A560 PolarHBondContact O-N 2.85Å; A560-R709 WeakPolarHBondContact O-CD 3.1Å; A560-L726 HydrophobicContact CB-CB 4Å; A560-V727 HydrophobicContact CB-CG2 4.42Å; A560-S730 VanDerWaalsContact CA-CB 3.46Å
561L85.9Confident84.6Confident16 Ų1641.9 Ų41.98%0.08426%0.259CS..Hα-helixtrans-83.5-23.7179.2-69.4172.5000113.8I557 S558 I559 G563 A564 L580 E581 V584 L726I557-L561 HydrophobicContact CG2-CD1 3.68Å; I557-L561 HydrophobicContact CG2-CG 4.39Å; I557-L561 WeakPolarHBondContact O-CB 3.32Å; I557-L561 VanDerWaalsContact O-CG 3.27Å; I557-L561 WeakPolarHBondContact O-CG 3.45Å; I557-L561 PolarHBondContact O-N 3.25Å; S558-L561 PolarHBondContact O-N 3.26Å; I559-L561 PolarHBondContact O-N 3.5Å; L561-G563 PolarHBondContact O-N 2.93Å; L561-G563 VanDerWaalsContact O-N 3.07Å; L561-A564 WeakPolarHBondContact O-CB 3.21Å; L561-A564 PolarHBondContact O-N 2.83Å; L561-L580 HydrophobicContact CD2-CD2 3.76Å; L561-L580 HydrophobicContact CD2-CG 3.68Å; L561-E581 HydrophobicContact CB-CG 4.29Å; L561-E581 HydrophobicContact CD1-CB 4.23Å; L561-E581 HydrophobicContact CD1-CG 3.69Å; L561-V584 HydrophobicContact CD1-CB 4.1Å; L561-V584 HydrophobicContact CD1-CG1 4.05Å; L561-V584 HydrophobicContact CD1-CG2 4.47Å; L561-V584 HydrophobicContact CD2-CB 4.36Å; L561-V584 HydrophobicContact CD2-CG2 3.84Å; L561-L726 HydrophobicContact CD2-CD1 4.44Å
562D83.6Confident84.4Confident100 Ų10041.9 Ų41.954%0.53526%0.259SS..THydrogen-bonded Turntrans-57.9113174.6-178.529.8000111K539 S558 I559 A564 R709K539-D562 IonicContact NZ-OD2 3.19Å; S558-D562 PolarHBondContact O-N 3.44Å; S558-D562 VanDerWaalsContact O-N 3.16Å; I559-D562 PolarHBondContact O-N 2.93Å; D562-A564 VanDerWaalsContact C-N 3.31Å; D562-A564 PolarHBondContact O-N 2.86Å; D562-R709 PolarHBondContact O-NE 3.24Å; D562-R709 VanDerWaalsContact O-NE 3.11Å
563G83.6Confident84.3Confident52 Ų5247.2 Ų47.254%0.53629%0.294SS..THydrogen-bonded Turntrans72.116-176.700000115.2L561 R709L561-G563 PolarHBondContact O-N 2.93Å; L561-G563 VanDerWaalsContact O-N 3.07Å; G563-R709 WeakPolarHBondContact O-CA 3.5Å
564A90.8Very high84.6Confident4 Ų445.5 Ų45.53%0.03329%0.291CS..EExtended strand (participates in β ladder)trans-89.1139.3178.700000112.5L561 D562 L580 E708 L726L561-A564 WeakPolarHBondContact O-CB 3.21Å; L561-A564 PolarHBondContact O-N 2.83Å; D562-A564 VanDerWaalsContact C-N 3.31Å; D562-A564 PolarHBondContact O-N 2.86Å; A564-L580 HydrophobicContact CB-CD2 4.01Å; A564-E708 CarbonylContact C-O 3.59Å; A564-E708 VanDerWaalsContact CA-O 3.28Å; A564-E708 WeakPolarHBondContact CA-O 3.23Å; A564-L726 HydrophobicContact CB-CD1 4.27Å; A564-L726 HydrophobicContact CB-CD2 3.66Å
565T91.2Very high85Confident34 Ų3442.1 Ų42.121%0.20928%0.277CS..EExtended strand (participates in β ladder)trans-132.2127.6174.4530000110.1A574 A576 I707 E708T565-A574 HydrophobicContact CG2-CB 4.26Å; T565-A576 HydrophobicContact CG2-CB 3.95Å; T565-I707 WeakPolarHBondContact O-CD1 3.48Å; T565-E708 PolarHBondContact N-O 3.38Å; T565-E708 PolarHBondContact O-N 3.48Å; T565-E708 WeakPolarHBondContact OG1-CB 2.92Å
566L91.9Very high85.1Confident1 Ų142.7 Ų42.71%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-101.7118.4174.3179.364.8000109.7L575 L580 L701 I707 V716 F719 A722L566-L575 HydrophobicContact CB-CB 4.13Å; L566-L575 PolarHBondContact N-O 3.01Å; L566-L575 PolarHBondContact O-N 2.94Å; L566-L580 HydrophobicContact CB-CD1 3.99Å; L566-L580 HydrophobicContact CD2-CD1 4.17Å; L566-L701 HydrophobicContact CD1-CD2 4.02Å; L566-L701 HydrophobicContact CD2-CD2 4.23Å; L566-L701 HydrophobicContact CG-CD2 4.31Å; L566-I707 HydrophobicContact CB-CD1 3.77Å; L566-I707 HydrophobicContact CD1-CB 4.33Å; L566-I707 HydrophobicContact CD1-CD1 3.9Å; L566-I707 HydrophobicContact CG-CD1 4.44Å; L566-V716 HydrophobicContact CD1-CG2 4.28Å; L566-F719 HydrophobicContact CD2-CD2 3.94Å; L566-F719 HydrophobicContact CD2-CE2 3.77Å; L566-A722 HydrophobicContact CD1-CB 4.28Å
567H91.7Very high85.3Confident32 Ų3244 Ų4415%0.14831%0.305CS..EExtended strand (participates in β ladder)trans-100.5115.3176.3-67.7-103000109N569 A705 F706H567-N569 VanDerWaalsContact C-N 3.27Å; H567-N569 PolarHBondContact O-N 3.22Å; H567-A705 VanDerWaalsContact O-CA 3.32Å; H567-A705 WeakPolarHBondContact O-CA 3.26Å; H567-A705 WeakPolarHBondContact O-CB 3.45Å; H567-F706 HydrophobicContact CB-CD1 3.77Å; H567-F706 HydrophobicContact CB-CD2 4.16Å; H567-F706 HydrophobicContact CB-CE1 3.46Å; H567-F706 VanDerWaalsContact CB-CE1 3.46Å; H567-F706 HydrophobicContact CB-CE2 3.89Å; H567-F706 HydrophobicContact CB-CG 4.11Å; H567-F706 HydrophobicContact CB-CZ 3.53Å; H567-F706 AromaticContact CD2-CD2 3.93Å; H567-F706 AromaticContact CD2-CE2 3.24Å; H567-F706 WeakPolarHBondContact CD2-CE2 3.48Å; H567-F706 AromaticContact CD2-CZ 3.48Å; H567-F706 VanDerWaalsContact CD2-CZ 3.48Å; H567-F706 WeakPolarHBondContact CD2-CZ 3.42Å; H567-F706 AromaticContact CE1-CZ 3.93Å; H567-F706 AromaticContact CG-CE1 3.74Å; H567-F706 AromaticContact CG-CE2 3.52Å; H567-F706 AromaticContact CG-CZ 3.24Å; H567-F706 PolarHBondContact N-O 3.48Å; H567-F706 AromaticContact ND1-CZ 3.58Å; H567-F706 AromaticContact NE2-CE2 3.8Å; H567-F706 AromaticContact NE2-CZ 3.94Å; H567-F706 PolarHBondContact O-N 3.45Å
568T87.1Confident85.4Confident22 Ų2250.1 Ų50.114%0.13533%0.333CS..SBendtrans-69.9-26.4-178.855.20000112.6A572 L700 E702 A705T568-A572 WeakPolarHBondContact OG1-CB 3.1Å; T568-L700 WeakPolarHBondContact CB-O 3.11Å; T568-L700 HydrophobicContact CG2-CD1 3.77Å; T568-L700 HydrophobicContact CG2-CG 4.13Å; T568-L700 WeakPolarHBondContact CG2-O 3.23Å; T568-E702 PolarHBondContact O-N 3.17Å; T568-A705 WeakPolarHBondContact O-CB 3.25Å
569N86.4Confident85.6Confident30 Ų3049.4 Ų49.416%0.1633%0.332CS..SBendtrans-157179.3166.664.449000109.3H567 S571 A572 E702H567-N569 VanDerWaalsContact C-N 3.27Å; H567-N569 PolarHBondContact O-N 3.22Å; N569-S571 PolarHBondContact O-N 2.99Å; N569-S571 WeakPolarHBondContact OD1-CA 3.26Å; N569-S571 PolarHBondContact OD1-N 3.43Å; N569-A572 VanDerWaalsContact OD1-CB 3.28Å; N569-A572 WeakPolarHBondContact OD1-CB 3.13Å; N569-A572 PolarHBondContact OD1-N 3.42Å; N569-E702 HydrophobicContact CB-CB 4.16Å; N569-E702 PolarHBondContact ND2-OE2 3.39Å
570A80Confident85.9Confident73 Ų7349 Ų4960%0.60333%0.329SS*.SBendtrans-63.3-20.4-177.700000115.4
571S78.2Confident86Confident117 Ų11753.3 Ų53.382%0.81835%0.349SS*.SBendtrans-113.6-16.7-172.3-54.40000114.1N569N569-S571 PolarHBondContact O-N 2.99Å; N569-S571 WeakPolarHBondContact OD1-CA 3.26Å; N569-S571 PolarHBondContact OD1-N 3.43Å
572A79.6Confident86Confident22 Ų2258.9 Ų58.918%0.18237%0.373CS..SBendtrans-76.1148.1-174.600000111.6T568 N569 A574T568-A572 WeakPolarHBondContact OG1-CB 3.1Å; N569-A572 VanDerWaalsContact OD1-CB 3.28Å; N569-A572 WeakPolarHBondContact OD1-CB 3.13Å; N569-A572 PolarHBondContact OD1-N 3.42Å; A572-A574 PolarHBondContact O-N 3.47Å
573P82.6Confident86.4Confident121 Ų12154.7 Ų54.779%0.78635%0.35SS*.PPolyproline II helixtrans-55.2136.5169.8-22.733.1000111.1
574A85.7Confident86.6Confident41 Ų4152.2 Ų52.234%0.33933%0.325SS..PPolyproline II helixtrans-64.9136.7177.800000112T565 A572 A576T565-A574 HydrophobicContact CG2-CB 4.26Å; A572-A574 PolarHBondContact O-N 3.47Å; A574-A576 PolarHBondContact O-N 3.21Å
575L87.4Confident86.4Confident44 Ų4455.7 Ų55.723%0.2335%0.349CS..EExtended strand (participates in β ladder)trans-76.1115.6162.9-126.4122.8000108.3L566 A579 L580 L583 L700L566-L575 HydrophobicContact CB-CB 4.13Å; L566-L575 PolarHBondContact N-O 3.01Å; L566-L575 PolarHBondContact O-N 2.94Å; L575-A579 HydrophobicContact CD2-CB 4Å; L575-A579 HydrophobicContact CG-CB 4.39Å; L575-L580 HydrophobicContact CD2-CB 4.2Å; L575-L580 HydrophobicContact CD2-CD1 4.33Å; L575-L583 HydrophobicContact CD2-CD2 4.34Å; L575-L700 HydrophobicContact CD1-CD1 4.29Å
576A87.4Confident86.2Confident44 Ų4456.3 Ų56.336%0.36435%0.349SS..EExtended strand (participates in β ladder)trans-143165.2-174.500000111.4T565 A574 A579T565-A576 HydrophobicContact CG2-CB 3.95Å; A574-A576 PolarHBondContact O-N 3.21Å; A576-A579 PolarHBondContact O-N 3.49Å
577G85.7Confident86.1Confident43 Ų4356.7 Ų56.744%0.44335%0.35SS..THydrogen-bonded Turntrans56.3-137.2175.400000113.2A579 L580 E581G577-A579 PolarHBondContact O-N 2.85Å; G577-A579 VanDerWaalsContact O-N 3.11Å; G577-L580 PolarHBondContact O-N 3.05Å; G577-E581 PolarHBondContact O-N 2.86Å
578E84.6Confident85.9Confident167 Ų16757.1 Ų57.178%0.7835%0.354SS*.Hα-helixtrans-54.4-33.4-175.9-67.5-174.8174.600113.7K582E578-K582 VanDerWaalsContact O-CB 3.25Å; E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.22Å
579A87.3Confident85.6Confident57 Ų5758.3 Ų58.347%0.47137%0.366SS..Hα-helixtrans-66.4-43.7179.500000111.7L575 A576 G577 L583L575-A579 HydrophobicContact CD2-CB 4Å; L575-A579 HydrophobicContact CG-CB 4.39Å; A576-A579 PolarHBondContact O-N 3.49Å; G577-A579 PolarHBondContact O-N 2.85Å; G577-A579 VanDerWaalsContact O-N 3.11Å; A579-L583 PolarHBondContact O-N 2.95Å
580L89Confident85.8Confident4 Ų457.3 Ų57.32%0.02136%0.361CS..Hα-helixtrans-72.5-41.4177.8-176.161.4000110.5L561 A564 L566 L575 G577 K582 L583 V584 F719L561-L580 HydrophobicContact CD2-CD2 3.76Å; L561-L580 HydrophobicContact CD2-CG 3.68Å; A564-L580 HydrophobicContact CB-CD2 4.01Å; L566-L580 HydrophobicContact CB-CD1 3.99Å; L566-L580 HydrophobicContact CD2-CD1 4.17Å; L575-L580 HydrophobicContact CD2-CB 4.2Å; L575-L580 HydrophobicContact CD2-CD1 4.33Å; G577-L580 PolarHBondContact O-N 3.05Å; L580-K582 VanDerWaalsContact C-N 3.35Å; L580-K582 PolarHBondContact O-N 3.38Å; L580-L583 PolarHBondContact O-N 2.79Å; L580-V584 HydrophobicContact CD1-CG2 4.22Å; L580-V584 HydrophobicContact CG-CG2 4.4Å; L580-V584 WeakPolarHBondContact O-CB 3.33Å; L580-V584 VanDerWaalsContact O-CG2 3.32Å; L580-V584 WeakPolarHBondContact O-CG2 3.17Å; L580-V584 PolarHBondContact O-N 3.17Å; L580-F719 HydrophobicContact CD1-CE2 4.36Å
581E86.5Confident86.2Confident96 Ų9654.9 Ų54.945%0.44934%0.337SS..Hα-helixtrans-56.5-46.6174.7-76.1175.4-170.900112.7L561 G577 V584 S585L561-E581 HydrophobicContact CB-CG 4.29Å; L561-E581 HydrophobicContact CD1-CB 4.23Å; L561-E581 HydrophobicContact CD1-CG 3.69Å; G577-E581 PolarHBondContact O-N 2.86Å; E581-V584 PolarHBondContact O-N 3.19Å; E581-S585 VanDerWaalsContact O-CB 3.26Å; E581-S585 WeakPolarHBondContact O-CB 3.34Å; E581-S585 PolarHBondContact O-N 2.63Å
582K86.8Confident86.3Confident133 Ų13352.7 Ų52.758%0.57831%0.313SS*.Hα-helixtrans-61.4-46.5177.8-174.2175.4-178.3178.70111.4E578 L580 V584 S585 E586E578-K582 VanDerWaalsContact O-CB 3.25Å; E578-K582 WeakPolarHBondContact O-CB 3.39Å; E578-K582 PolarHBondContact O-N 3.22Å; L580-K582 VanDerWaalsContact C-N 3.35Å; L580-K582 PolarHBondContact O-N 3.38Å; K582-V584 PolarHBondContact O-N 3.39Å; K582-S585 PolarHBondContact O-N 3.1Å; K582-E586 WeakPolarHBondContact CE-OE1 3.46Å; K582-E586 WeakPolarHBondContact CG-OE1 3.19Å; K582-E586 WeakPolarHBondContact O-CB 3.49Å; K582-E586 VanDerWaalsContact O-CG 3.28Å; K582-E586 WeakPolarHBondContact O-CG 3.21Å; K582-E586 PolarHBondContact O-N 3.18Å
583L90.4Very high86.6Confident12 Ų1251.9 Ų51.96%0.06331%0.306CS..Hα-helixtrans-64-41.9179.8-174.162.3000112.1L575 A579 L580 E586 Y587 L693 K696 L697 L700 F719L575-L583 HydrophobicContact CD2-CD2 4.34Å; A579-L583 PolarHBondContact O-N 2.95Å; L580-L583 PolarHBondContact O-N 2.79Å; L583-E586 PolarHBondContact O-N 2.91Å; L583-Y587 WeakPolarHBondContact O-CB 3.27Å; L583-Y587 PolarHBondContact O-N 3.37Å; L583-L693 HydrophobicContact CD1-CD1 4.37Å; L583-K696 HydrophobicContact CD1-CB 4Å; L583-K696 HydrophobicContact CD1-CD 4.38Å; L583-L697 HydrophobicContact CD1-CD2 3.89Å; L583-L697 HydrophobicContact CD2-CD2 4.11Å; L583-L697 HydrophobicContact CG-CD2 4.25Å; L583-L700 HydrophobicContact CD2-CD2 3.62Å; L583-F719 HydrophobicContact CB-CZ 4.24Å; L583-F719 HydrophobicContact CD2-CD2 4.18Å; L583-F719 HydrophobicContact CD2-CE2 3.44Å; L583-F719 VanDerWaalsContact CD2-CE2 3.44Å; L583-F719 HydrophobicContact CD2-CZ 3.66Å; L583-F719 HydrophobicContact CG-CE1 4.2Å; L583-F719 HydrophobicContact CG-CE2 3.91Å; L583-F719 HydrophobicContact CG-CZ 3.56Å
584V88.8Confident86.9Confident0 Ų046.1 Ų46.10%027%0.268CS..Hα-helixtrans-66.9-40.8176.61690000112I557 L561 L580 E581 K582 Y587 N588 F719 L723I557-V584 HydrophobicContact CG2-CG1 3.55Å; L561-V584 HydrophobicContact CD1-CB 4.1Å; L561-V584 HydrophobicContact CD1-CG1 4.05Å; L561-V584 HydrophobicContact CD1-CG2 4.47Å; L561-V584 HydrophobicContact CD2-CB 4.36Å; L561-V584 HydrophobicContact CD2-CG2 3.84Å; L580-V584 HydrophobicContact CD1-CG2 4.22Å; L580-V584 HydrophobicContact CG-CG2 4.4Å; L580-V584 WeakPolarHBondContact O-CB 3.33Å; L580-V584 VanDerWaalsContact O-CG2 3.32Å; L580-V584 WeakPolarHBondContact O-CG2 3.17Å; L580-V584 PolarHBondContact O-N 3.17Å; E581-V584 PolarHBondContact O-N 3.19Å; K582-V584 PolarHBondContact O-N 3.39Å; V584-Y587 PolarHBondContact O-N 3.02Å; V584-N588 WeakPolarHBondContact CG1-ND2 3.5Å; V584-N588 WeakPolarHBondContact O-CB 3.26Å; V584-N588 PolarHBondContact O-N 3.18Å; V584-N588 PolarHBondContact O-ND2 3Å; V584-F719 HydrophobicContact CG2-CE1 4.21Å; V584-F719 HydrophobicContact CG2-CZ 3.64Å; V584-L723 HydrophobicContact CB-CD2 4.16Å; V584-L723 HydrophobicContact CG1-CD2 3.65Å; V584-L723 HydrophobicContact CG2-CD2 3.44Å; V584-L723 VanDerWaalsContact CG2-CD2 3.44Å; V584-L723 HydrophobicContact CG2-CG 4.37Å
585S85.2Confident86.8Confident77 Ų7747.7 Ų47.754%0.53827%0.271SS..Hα-helixtrans-62.4-46.7176-170.90000111.4E581 K582 N588 A589E581-S585 VanDerWaalsContact O-CB 3.26Å; E581-S585 WeakPolarHBondContact O-CB 3.34Å; E581-S585 PolarHBondContact O-N 2.63Å; K582-S585 PolarHBondContact O-N 3.1Å; S585-N588 PolarHBondContact O-N 3.46Å; S585-A589 VanDerWaalsContact O-CB 3.31Å; S585-A589 WeakPolarHBondContact O-CB 3.3Å; S585-A589 PolarHBondContact O-N 3.17Å
586E87.7Confident86.4Confident46 Ų4653.5 Ų53.522%0.21529%0.29CS..Hα-helixtrans-62.2-42.9175.9-71.9176.1-169.600112K582 L583 A589 T590 L693 K696K582-E586 WeakPolarHBondContact CE-OE1 3.46Å; K582-E586 WeakPolarHBondContact CG-OE1 3.19Å; K582-E586 WeakPolarHBondContact O-CB 3.49Å; K582-E586 VanDerWaalsContact O-CG 3.28Å; K582-E586 WeakPolarHBondContact O-CG 3.21Å; K582-E586 PolarHBondContact O-N 3.18Å; L583-E586 PolarHBondContact O-N 2.91Å; E586-A589 PolarHBondContact O-N 3.5Å; E586-T590 PolarHBondContact O-N 2.73Å; E586-T590 PolarHBondContact O-OG1 2.94Å; E586-L693 HydrophobicContact CB-CD1 4.26Å; E586-K696 IonicContact OE1-NZ 3.34Å; E586-K696 PolarHBondContact OE1-NZ 3.35Å; E586-K696 VanDerWaalsContact OE2-CD 3.29Å; E586-K696 WeakPolarHBondContact OE2-CD 3.2Å; E586-K696 WeakPolarHBondContact OE2-CE 3.37Å; E586-K696 IonicContact OE2-NZ 2.67Å; E586-K696 PolarHBondContact OE2-NZ 3.4Å
587Y91.1Very high86.3Confident9 Ų951.5 Ų51.54%0.03527%0.273CS..Hα-helixtrans-59.2-50.3175.3-178-93.4000111.9L583 V584 A589 T590 Q591 L693 L697 F719 E720 L723L583-Y587 WeakPolarHBondContact O-CB 3.27Å; L583-Y587 PolarHBondContact O-N 3.37Å; V584-Y587 PolarHBondContact O-N 3.02Å; Y587-A589 PolarHBondContact O-N 3.25Å; Y587-T590 PolarHBondContact O-N 3.3Å; Y587-Q591 HydrophobicContact CD1-CG 3.92Å; Y587-Q591 HydrophobicContact CE1-CG 3.54Å; Y587-Q591 HydrophobicContact CE2-CG 4.47Å; Y587-Q591 WeakPolarHBondContact O-CG 3.4Å; Y587-Q591 PolarHBondContact O-N 2.95Å; Y587-Q591 PolarHBondContact OH-NE2 2.95Å; Y587-L693 HydrophobicContact CD2-CD2 4.04Å; Y587-L697 HydrophobicContact CD2-CD1 3.91Å; Y587-L697 HydrophobicContact CE2-CD1 4.34Å; Y587-F719 HydrophobicContact CD1-CD1 4.4Å; Y587-F719 HydrophobicContact CD1-CE1 4.43Å; Y587-F719 AromaticContact CD2-CD1 3.69Å; Y587-F719 HydrophobicContact CD2-CD1 3.69Å; Y587-F719 HydrophobicContact CD2-CE1 4.14Å; Y587-F719 HydrophobicContact CE2-CD1 4.16Å; Y587-F719 AromaticContact CG-CD1 3.82Å; Y587-F719 HydrophobicContact CG-CD1 3.82Å; Y587-F719 AromaticContact CG-CE1 3.84Å; Y587-F719 HydrophobicContact CG-CE1 3.84Å; Y587-E720 WeakPolarHBondContact OH-CB 3.18Å; Y587-E720 WeakPolarHBondContact OH-CG 3.18Å; Y587-L723 HydrophobicContact CD1-CD1 3.26Å; Y587-L723 HydrophobicContact CE1-CD1 3.62Å; Y587-L723 HydrophobicContact CG-CD1 3.97Å
588N85.5Confident86.3Confident42 Ų4254.2 Ų54.223%0.22527%0.274CS..Hα-helixtrans-65.6-37.8179.9-74.8-44.3000112.5I557 V584 S585 T590 Q591 K592I557-N588 HydrophobicContact CD1-CB 4.39Å; I557-N588 WeakPolarHBondContact CD1-ND2 3.2Å; V584-N588 WeakPolarHBondContact CG1-ND2 3.5Å; V584-N588 WeakPolarHBondContact O-CB 3.26Å; V584-N588 PolarHBondContact O-N 3.18Å; V584-N588 PolarHBondContact O-ND2 3Å; S585-N588 PolarHBondContact O-N 3.46Å; N588-T590 VanDerWaalsContact C-N 3.34Å; N588-Q591 PolarHBondContact O-N 2.95Å; N588-K592 WeakPolarHBondContact O-CB 3.17Å; N588-K592 WeakPolarHBondContact O-CG 3.45Å; N588-K592 PolarHBondContact O-N 3.2Å
589A82.6Confident86Confident47 Ų4757.1 Ų57.139%0.38828%0.278SS..Hα-helixtrans-61.6-43.1174.600000111.3S585 E586 Y587 K592 M593S585-A589 VanDerWaalsContact O-CB 3.31Å; S585-A589 WeakPolarHBondContact O-CB 3.3Å; S585-A589 PolarHBondContact O-N 3.17Å; E586-A589 PolarHBondContact O-N 3.5Å; Y587-A589 PolarHBondContact O-N 3.25Å; A589-K592 PolarHBondContact O-N 2.89Å; A589-M593 WeakPolarHBondContact O-CB 3.44Å; A589-M593 PolarHBondContact O-N 2.95Å
590T88.8Confident85.7Confident8 Ų859.1 Ų59.15%0.04927%0.273CS..Hα-helixtrans-67.5-40.9175.1-62.60000112E586 Y587 N588 K592 M593 I594 I610 I690 L693E586-T590 PolarHBondContact O-N 2.73Å; E586-T590 PolarHBondContact O-OG1 2.94Å; Y587-T590 PolarHBondContact O-N 3.3Å; N588-T590 VanDerWaalsContact C-N 3.34Å; T590-K592 PolarHBondContact O-N 3.11Å; T590-M593 HydrophobicContact CG2-CE 4.18Å; T590-M593 WeakPolarHBondContact O-CB 3.44Å; T590-M593 PolarHBondContact O-N 2.83Å; T590-I594 HydrophobicContact CG2-CD1 3.95Å; T590-I594 HydrophobicContact CG2-CG1 4.34Å; T590-I594 WeakPolarHBondContact O-CB 3.39Å; T590-I594 VanDerWaalsContact O-CG1 3.31Å; T590-I594 WeakPolarHBondContact O-CG1 3.47Å; T590-I594 PolarHBondContact O-N 3.42Å; T590-I610 HydrophobicContact CG2-CD1 4.4Å; T590-I690 HydrophobicContact CG2-CG1 4.19Å; T590-L693 HydrophobicContact CG2-CD2 3.65Å
591Q88.3Confident85.7Confident22 Ų2260.4 Ų60.410%0.10328%0.278CS..Hα-helixtrans-61.9-42.3174.9-70.9-60-40.400112.1Y587 N588 M593 I594 N595 K607Y587-Q591 HydrophobicContact CD1-CG 3.92Å; Y587-Q591 HydrophobicContact CE1-CG 3.54Å; Y587-Q591 HydrophobicContact CE2-CG 4.47Å; Y587-Q591 WeakPolarHBondContact O-CG 3.4Å; Y587-Q591 PolarHBondContact O-N 2.95Å; Y587-Q591 PolarHBondContact OH-NE2 2.95Å; N588-Q591 PolarHBondContact O-N 2.95Å; Q591-M593 VanDerWaalsContact C-N 3.33Å; Q591-M593 PolarHBondContact O-N 3.19Å; Q591-I594 PolarHBondContact O-N 3.42Å; Q591-N595 VanDerWaalsContact O-CG 3.25Å; Q591-N595 PolarHBondContact O-N 3.16Å; Q591-N595 PolarHBondContact O-ND2 3.08Å; Q591-K607 VanDerWaalsContact OE1-CE 3.29Å
592K81.7Confident86Confident71 Ų7156.9 Ų56.931%0.30926%0.263SS..Hα-helixtrans-60.5-43173.4-77.1-178.5175.6-177.60111.7E550 N588 A589 T590 N595 R596E550-K592 IonicContact OE1-NZ 2.97Å; E550-K592 PolarHBondContact OE1-NZ 3.37Å; N588-K592 WeakPolarHBondContact O-CB 3.17Å; N588-K592 WeakPolarHBondContact O-CG 3.45Å; N588-K592 PolarHBondContact O-N 3.2Å; A589-K592 PolarHBondContact O-N 2.89Å; T590-K592 PolarHBondContact O-N 3.11Å; K592-N595 PolarHBondContact O-N 3.01Å; K592-R596 PolarHBondContact O-N 3.42Å
593M85.8Confident86.1Confident6 Ų653.7 Ų53.73%0.0325%0.249CC..Hα-helixtrans-62.4-46.6175.1-179.1-172.678.800111.6A589 T590 Q591 N595 R596 M597 E686 R689 I690A589-M593 WeakPolarHBondContact O-CB 3.44Å; A589-M593 PolarHBondContact O-N 2.95Å; T590-M593 HydrophobicContact CG2-CE 4.18Å; T590-M593 WeakPolarHBondContact O-CB 3.44Å; T590-M593 PolarHBondContact O-N 2.83Å; Q591-M593 VanDerWaalsContact C-N 3.33Å; Q591-M593 PolarHBondContact O-N 3.19Å; M593-N595 VanDerWaalsContact C-N 3.32Å; M593-N595 PolarHBondContact O-N 3.11Å; M593-R596 WeakPolarHBondContact O-CA 3.43Å; M593-R596 WeakPolarHBondContact O-CB 3.37Å; M593-R596 PolarHBondContact O-N 2.88Å; M593-M597 HydrophobicContact CE-SD 4.17Å; M593-M597 HydrophobicContact CG-CG 4.46Å; M593-M597 HydrophobicContact CG-SD 4.08Å; M593-M597 WeakPolarHBondContact O-CG 3.45Å; M593-M597 PolarHBondContact O-N 3.17Å; M593-E686 HydrophobicContact CE-CB 4.21Å; M593-E686 VanDerWaalsContact CE-O 3.24Å; M593-E686 WeakPolarHBondContact CE-O 3.28Å; M593-E686 HydrophobicContact CG-CB 4.46Å; M593-E686 HydrophobicContact CG-CG 4.22Å; M593-E686 HydrophobicContact SD-CB 3.82Å; M593-E686 HydrophobicContact SD-CG 3.95Å; M593-R689 HydrophobicContact CE-CB 4.07Å; M593-R689 HydrophobicContact SD-CB 4.06Å; M593-I690 HydrophobicContact CE-CD1 4.06Å; M593-I690 HydrophobicContact CE-CG1 3.46Å; M593-I690 VanDerWaalsContact CE-CG1 3.46Å
594I89.4Confident86.2Confident0 Ų055.5 Ų55.50%027%0.266CS..Hα-helixtrans-57.2-43.9175.8-72.7173.2000111.2T590 Q591 R596 M597 E598 K603 L606 K607 I610 I690T590-I594 HydrophobicContact CG2-CD1 3.95Å; T590-I594 HydrophobicContact CG2-CG1 4.34Å; T590-I594 WeakPolarHBondContact O-CB 3.39Å; T590-I594 VanDerWaalsContact O-CG1 3.31Å; T590-I594 WeakPolarHBondContact O-CG1 3.47Å; T590-I594 PolarHBondContact O-N 3.42Å; Q591-I594 PolarHBondContact O-N 3.42Å; I594-R596 PolarHBondContact O-N 2.72Å; I594-M597 CarbonylContact O-C 3.36Å; I594-M597 PolarHBondContact O-N 3.45Å; I594-M597 VanDerWaalsContact O-N 3.15Å; I594-E598 PolarHBondContact O-N 2.91Å; I594-K603 HydrophobicContact CG2-CG 4.05Å; I594-L606 HydrophobicContact CB-CB 4.49Å; I594-L606 HydrophobicContact CD1-CB 4.42Å; I594-L606 HydrophobicContact CG1-CB 4.1Å; I594-L606 HydrophobicContact CG2-CB 3.82Å; I594-L606 HydrophobicContact CG2-CD1 4.07Å; I594-K607 HydrophobicContact CD1-CG 4.48Å; I594-K607 HydrophobicContact CG2-CG 4.41Å; I594-I610 HydrophobicContact CD1-CD1 3.97Å; I594-I610 HydrophobicContact CD1-CG1 4.48Å; I594-I690 HydrophobicContact CG1-CD1 4.47Å
595N83.3Confident86.5Confident73 Ų7355.5 Ų55.539%0.3927%0.266SS..Hα-helixtrans-61.8-31.4176.2-68.7-24.9000112.6Q591 K592 M593 E598 K603Q591-N595 VanDerWaalsContact O-CG 3.25Å; Q591-N595 PolarHBondContact O-N 3.16Å; Q591-N595 PolarHBondContact O-ND2 3.08Å; K592-N595 PolarHBondContact O-N 3.01Å; M593-N595 VanDerWaalsContact C-N 3.32Å; M593-N595 PolarHBondContact O-N 3.11Å; N595-E598 WeakPolarHBondContact O-CB 3.22Å; N595-K603 VanDerWaalsContact OD1-CE 3.23Å; N595-K603 WeakPolarHBondContact OD1-CE 3.34Å; N595-K603 PolarHBondContact OD1-NZ 2.64Å
596R78.8Confident86.9Confident167 Ų16751.8 Ų51.863%0.6324%0.24SC*.Hα-helixtrans-74.1-40.3173.2-66.5-172.9-59.2-134.82.7111.8K592 M593 I594 E598K592-R596 PolarHBondContact O-N 3.42Å; M593-R596 WeakPolarHBondContact O-CA 3.43Å; M593-R596 WeakPolarHBondContact O-CB 3.37Å; M593-R596 PolarHBondContact O-N 2.88Å; I594-R596 PolarHBondContact O-N 2.72Å; R596-E598 PolarHBondContact O-N 2.75Å
597M85.4Confident87.1Confident1 Ų152.3 Ų52.31%0.00524%0.242CC..Hα-helixtrans-68.1-17.6178-66.7175.178.500113.2M593 I594 R599 R600 Y601 L606 F681 E686 I690M593-M597 HydrophobicContact CE-SD 4.17Å; M593-M597 HydrophobicContact CG-CG 4.46Å; M593-M597 HydrophobicContact CG-SD 4.08Å; M593-M597 WeakPolarHBondContact O-CG 3.45Å; M593-M597 PolarHBondContact O-N 3.17Å; I594-M597 CarbonylContact O-C 3.36Å; I594-M597 PolarHBondContact O-N 3.45Å; I594-M597 VanDerWaalsContact O-N 3.15Å; M597-R599 PolarHBondContact O-N 2.76Å; M597-R600 PolarHBondContact O-N 2.91Å; M597-Y601 HydrophobicContact CE-CD2 4.29Å; M597-Y601 PolarHBondContact O-N 2.76Å; M597-L606 HydrophobicContact CB-CD1 3.43Å; M597-L606 VanDerWaalsContact CB-CD1 3.43Å; M597-L606 HydrophobicContact CE-CD2 3.68Å; M597-L606 HydrophobicContact SD-CD1 4.38Å; M597-L606 HydrophobicContact SD-CD2 4.32Å; M597-F681 HydrophobicContact CE-CE2 3.79Å; M597-F681 HydrophobicContact CE-CZ 4.46Å; M597-E686 HydrophobicContact CE-CB 3.9Å; M597-E686 WeakPolarHBondContact CE-OE2 3.5Å; M597-E686 WeakPolarHBondContact CG-OE1 3.44Å; M597-E686 WeakPolarHBondContact CG-OE2 3.28Å; M597-E686 HydrophobicContact SD-CB 3.76Å; M597-E686 HydrophobicContact SD-CG 4.24Å; M597-I690 HydrophobicContact SD-CD1 4.39Å
598E85.2Confident87.2Confident101 Ų10152.5 Ų52.547%0.47224%0.243SC..THydrogen-bonded Turntrans-53.1-23177.5-172.5166.6-156.600113.7I594 N595 R596 R600 Y601 K603I594-E598 PolarHBondContact O-N 2.91Å; N595-E598 WeakPolarHBondContact O-CB 3.22Å; R596-E598 PolarHBondContact O-N 2.75Å; E598-R600 VanDerWaalsContact C-N 3.32Å; E598-R600 PolarHBondContact O-N 2.97Å; E598-Y601 CarbonylContact C-O 3.53Å; E598-Y601 VanDerWaalsContact CA-O 3.25Å; E598-Y601 WeakPolarHBondContact CA-O 3.45Å; E598-K603 HydrophobicContact CG-CB 4.03Å
599R78.7Confident87.6Confident228 Ų22850.7 Ų50.786%0.8623%0.233SC*.THydrogen-bonded Turntrans-68.1-27.3174.2-64.5-178.7179.7174.20.8114.1M597M597-R599 PolarHBondContact O-N 2.76Å
600R81.3Confident88.1Confident99 Ų9948.5 Ų48.537%0.37422%0.215SC..THydrogen-bonded Turntrans-110.7-33.1-175.5-65.9-172.7-67.3-169.2-1.3112.4K208 M597 E598 Y675 E686K208-R600 PolarHBondContact O-NH1 2.9Å; M597-R600 PolarHBondContact O-N 2.91Å; E598-R600 VanDerWaalsContact C-N 3.32Å; E598-R600 PolarHBondContact O-N 2.97Å; R600-Y675 VanDerWaalsContact O-CD1 3.3Å; R600-Y675 WeakPolarHBondContact O-CD1 3.35Å; R600-Y675 WeakPolarHBondContact O-CE1 3.38Å; R600-E686 IonicContact NH2-OE1 3.48Å; R600-E686 IonicContact NH2-OE2 3.38Å; R600-E686 PolarHBondContact NH2-OE2 3.14Å
601Y89.3Confident88.2Confident30 Ų3051.8 Ų51.812%0.11823%0.227CC..SBendtrans-134.4143.5-172.5-65.8-74.9000110.4M597 E598 K603 M605 L606 Y675 P676 L677 F681M597-Y601 HydrophobicContact CE-CD2 4.29Å; M597-Y601 PolarHBondContact O-N 2.76Å; E598-Y601 CarbonylContact C-O 3.53Å; E598-Y601 VanDerWaalsContact CA-O 3.25Å; E598-Y601 WeakPolarHBondContact CA-O 3.45Å; Y601-K603 PolarHBondContact O-N 2.94Å; Y601-M605 HydrophobicContact CD1-CE 3.6Å; Y601-M605 HydrophobicContact CG-CE 4.08Å; Y601-L606 HydrophobicContact CG-CD2 4.38Å; Y601-Y675 HydrophobicContact CD1-CD1 4.13Å; Y601-Y675 HydrophobicContact CD1-CG 4.45Å; Y601-P676 WeakPolarHBondContact CE1-O 3.18Å; Y601-P676 PolarHBondContact OH-O 3.32Å; Y601-L677 HydrophobicContact CD1-CD2 4.41Å; Y601-L677 HydrophobicContact CE1-CD2 4.05Å; Y601-F681 HydrophobicContact CD2-CE2 4.17Å; Y601-F681 HydrophobicContact CE1-CD2 4.27Å; Y601-F681 HydrophobicContact CE1-CE2 4.38Å; Y601-F681 AromaticContact CE2-CD2 3.73Å; Y601-F681 HydrophobicContact CE2-CD2 3.73Å; Y601-F681 AromaticContact CE2-CE2 3.83Å; Y601-F681 HydrophobicContact CE2-CE2 3.83Å; Y601-F681 AromaticContact CZ-CD2 3.57Å; Y601-F681 AromaticContact CZ-CE2 3.93Å; Y601-F681 WeakPolarHBondContact OH-CD2 3.41Å
602P90.8Very high88.4Confident22 Ų2251.6 Ų51.614%0.14323%0.226CC..  trans-62.5132.3179.1-23.235000111.4A604 M605 L606 W647 Y675P602-A604 PolarHBondContact O-N 2.65Å; P602-M605 HydrophobicContact CB-CB 4.35Å; P602-M605 WeakPolarHBondContact O-CB 3.39Å; P602-M605 PolarHBondContact O-N 3.1Å; P602-M605 VanDerWaalsContact O-N 3.11Å; P602-L606 PolarHBondContact O-N 3.39Å; P602-L606 VanDerWaalsContact O-N 3.13Å; P602-W647 HydrophobicContact CB-CH2 3.65Å; P602-W647 HydrophobicContact CB-CZ3 4.37Å; P602-W647 HydrophobicContact CG-CH2 3.91Å; P602-W647 HydrophobicContact CG-CZ3 4.21Å; P602-Y675 HydrophobicContact CG-CD1 4.34Å; P602-Y675 HydrophobicContact CG-CD2 3.71Å; P602-Y675 HydrophobicContact CG-CE1 3.98Å; P602-Y675 HydrophobicContact CG-CE2 3.28Å; P602-Y675 HydrophobicContact CG-CG 4.21Å; P602-Y675 VanDerWaalsContact CG-CZ 3.43Å
603K91Very high88.9Confident66 Ų6651.9 Ų51.929%0.28724%0.235SC..Hα-helixtrans-56.8-36179.1179.7166.2174.2169.70113.6I594 N595 E598 Y601 L606 K607I594-K603 HydrophobicContact CG2-CG 4.05Å; N595-K603 VanDerWaalsContact OD1-CE 3.23Å; N595-K603 WeakPolarHBondContact OD1-CE 3.34Å; N595-K603 PolarHBondContact OD1-NZ 2.64Å; E598-K603 HydrophobicContact CG-CB 4.03Å; Y601-K603 PolarHBondContact O-N 2.94Å; K603-L606 PolarHBondContact O-N 3.33Å; K603-K607 WeakPolarHBondContact O-CB 3.49Å; K603-K607 WeakPolarHBondContact O-CG 3.47Å; K603-K607 PolarHBondContact O-N 2.77Å
604A91.7Very high89.3Confident50 Ų5053.7 Ų53.741%0.41325%0.247SC..Hα-helixtrans-59.9-48176.500000111.8P602 K607 E608 W647P602-A604 PolarHBondContact O-N 2.65Å; A604-K607 PolarHBondContact O-N 3.47Å; A604-E608 PolarHBondContact O-N 3.35Å; A604-E608 VanDerWaalsContact O-N 3.15Å; A604-W647 HydrophobicContact CB-CZ2 4.1Å
605M94Very high89.5Confident0 Ų053.9 Ų53.90%025%0.248CC..Hα-helixtrans-60.2-48.8176.7-175.1-173.175.100111.5Y601 P602 K607 E608 L609 L633 L637 W647 V664 L677Y601-M605 HydrophobicContact CD1-CE 3.6Å; Y601-M605 HydrophobicContact CG-CE 4.08Å; P602-M605 HydrophobicContact CB-CB 4.35Å; P602-M605 WeakPolarHBondContact O-CB 3.39Å; P602-M605 PolarHBondContact O-N 3.1Å; P602-M605 VanDerWaalsContact O-N 3.11Å; M605-K607 VanDerWaalsContact C-N 3.35Å; M605-K607 PolarHBondContact O-N 3.38Å; M605-E608 PolarHBondContact O-N 3.04Å; M605-E608 VanDerWaalsContact O-N 3.12Å; M605-L609 WeakPolarHBondContact O-CG 3.38Å; M605-L609 PolarHBondContact O-N 2.79Å; M605-L609 VanDerWaalsContact O-N 3.09Å; M605-L633 HydrophobicContact CG-CD2 4.47Å; M605-L637 HydrophobicContact CB-CD1 4.31Å; M605-L637 HydrophobicContact CG-CD1 4.18Å; M605-W647 HydrophobicContact CB-CH2 4.22Å; M605-W647 HydrophobicContact CB-CZ3 4.11Å; M605-V664 HydrophobicContact SD-CB 3.68Å; M605-V664 HydrophobicContact SD-CG1 3.77Å; M605-V664 HydrophobicContact SD-CG2 3.81Å; M605-L677 HydrophobicContact CE-CD2 3.84Å; M605-L677 HydrophobicContact SD-CD2 4.39Å
606L93.6Very high90Very high0 Ų053.3 Ų53.30%025%0.247CC..Hα-helixtrans-63-38.2-178.7-66.3174.6000113.3I594 M597 Y601 P602 K603 E608 L609 F681 I690I594-L606 HydrophobicContact CB-CB 4.49Å; I594-L606 HydrophobicContact CD1-CB 4.42Å; I594-L606 HydrophobicContact CG1-CB 4.1Å; I594-L606 HydrophobicContact CG2-CB 3.82Å; I594-L606 HydrophobicContact CG2-CD1 4.07Å; M597-L606 HydrophobicContact CB-CD1 3.43Å; M597-L606 VanDerWaalsContact CB-CD1 3.43Å; M597-L606 HydrophobicContact CE-CD2 3.68Å; M597-L606 HydrophobicContact SD-CD1 4.38Å; M597-L606 HydrophobicContact SD-CD2 4.32Å; Y601-L606 HydrophobicContact CG-CD2 4.38Å; P602-L606 PolarHBondContact O-N 3.39Å; P602-L606 VanDerWaalsContact O-N 3.13Å; K603-L606 PolarHBondContact O-N 3.33Å; L606-E608 VanDerWaalsContact C-N 3.31Å; L606-L609 HydrophobicContact CD2-CD1 4.22Å; L606-F681 HydrophobicContact CD2-CZ 4.44Å; L606-I690 HydrophobicContact CD2-CD1 4.37Å
607K92.1Very high90.6Very high57 Ų5750.6 Ų50.625%0.24824%0.242CC..Hα-helixtrans-64-38.2174.2-80.8-168.5167.1-158.60111.5Q591 I594 K603 A604 M605 I610 E720Q591-K607 VanDerWaalsContact OE1-CE 3.29Å; I594-K607 HydrophobicContact CD1-CG 4.48Å; I594-K607 HydrophobicContact CG2-CG 4.41Å; K603-K607 WeakPolarHBondContact O-CB 3.49Å; K603-K607 WeakPolarHBondContact O-CG 3.47Å; K603-K607 PolarHBondContact O-N 2.77Å; A604-K607 PolarHBondContact O-N 3.47Å; M605-K607 VanDerWaalsContact C-N 3.35Å; M605-K607 PolarHBondContact O-N 3.38Å; K607-I610 WeakPolarHBondContact O-CB 3.49Å; K607-I610 WeakPolarHBondContact O-CG1 3.21Å; K607-I610 PolarHBondContact O-N 3.23Å; K607-E720 IonicContact NZ-OE1 4Å; K607-E720 PolarHBondContact NZ-OE1 3.03Å
608E93.2Very high90.9Very high13 Ų1354 Ų546%0.06127%0.269CS..Hα-helixtrans-71.9-30.9-178.7-162.454-13300113A604 M605 L606 I610 Y611 Q612 L633 E636 L637 K640A604-E608 PolarHBondContact O-N 3.35Å; A604-E608 VanDerWaalsContact O-N 3.15Å; M605-E608 PolarHBondContact O-N 3.04Å; M605-E608 VanDerWaalsContact O-N 3.12Å; L606-E608 VanDerWaalsContact C-N 3.31Å; E608-I610 PolarHBondContact O-N 2.87Å; E608-Y611 PolarHBondContact O-N 3.23Å; E608-Q612 PolarHBondContact O-N 3.42Å; E608-L633 HydrophobicContact CB-CD1 3.89Å; E608-L633 HydrophobicContact CG-CD1 3.81Å; E608-E636 VanDerWaalsContact CD-CG 3.45Å; E608-E636 HydrophobicContact CG-CB 4.3Å; E608-E636 HydrophobicContact CG-CG 3.96Å; E608-E636 WeakPolarHBondContact OE1-CG 3.41Å; E608-L637 HydrophobicContact CB-CD2 3.79Å; E608-L637 HydrophobicContact CB-CG 4.36Å; E608-L637 HydrophobicContact CG-CD2 4.19Å; E608-L637 HydrophobicContact CG-CG 4.34Å; E608-K640 IonicContact OE1-NZ 3.01Å; E608-K640 PolarHBondContact OE1-NZ 3.37Å; E608-K640 VanDerWaalsContact OE2-CD 3.27Å; E608-K640 WeakPolarHBondContact OE2-CD 3.15Å; E608-K640 IonicContact OE2-NZ 2.59Å; E608-K640 PolarHBondContact OE2-NZ 2.98Å
609L94.2Very high91.3Very high3 Ų351.5 Ų51.52%0.01626%0.259CS..THydrogen-bonded Turntrans-56.4-24.9175-70.8177.1000113.6M605 L606 Y611 Q612 W629 L633 F681 Y687 I690M605-L609 WeakPolarHBondContact O-CG 3.38Å; M605-L609 PolarHBondContact O-N 2.79Å; M605-L609 VanDerWaalsContact O-N 3.09Å; L606-L609 HydrophobicContact CD2-CD1 4.22Å; L609-Y611 PolarHBondContact O-N 2.77Å; L609-Q612 PolarHBondContact O-N 3.21Å; L609-W629 HydrophobicContact CD2-CH2 3.5Å; L609-W629 VanDerWaalsContact CD2-CH2 3.5Å; L609-W629 HydrophobicContact CD2-CZ2 3.78Å; L609-L633 HydrophobicContact CD2-CD1 4.21Å; L609-L633 HydrophobicContact CD2-CD2 3.71Å; L609-F681 HydrophobicContact CD1-CE1 4.15Å; L609-F681 HydrophobicContact CD1-CZ 3.82Å; L609-Y687 HydrophobicContact CD1-CD2 4.44Å; L609-Y687 HydrophobicContact CD1-CE2 4.46Å; L609-I690 HydrophobicContact CB-CG2 3.72Å
610I93Very high92Very high1 Ų140.6 Ų40.61%0.00522%0.218CC..THydrogen-bonded Turntrans-59.1-37.2174.4-60.9172.2000110.4T590 I594 K607 E608 I690 L693 G694 L697 R698T590-I610 HydrophobicContact CG2-CD1 4.4Å; I594-I610 HydrophobicContact CD1-CD1 3.97Å; I594-I610 HydrophobicContact CD1-CG1 4.48Å; K607-I610 WeakPolarHBondContact O-CB 3.49Å; K607-I610 WeakPolarHBondContact O-CG1 3.21Å; K607-I610 PolarHBondContact O-N 3.23Å; E608-I610 PolarHBondContact O-N 2.87Å; I610-I690 HydrophobicContact CG1-CG2 3.9Å; I610-L693 HydrophobicContact CD1-CD2 4.23Å; I610-L693 HydrophobicContact CG2-CD2 4.4Å; I610-L693 HydrophobicContact CG2-CG 4.37Å; I610-G694 WeakPolarHBondContact O-CA 2.94Å; I610-L697 HydrophobicContact CG2-CD1 3.97Å; I610-R698 PolarHBondContact O-NH1 3.01Å
611Y91.5Very high92.5Very high77 Ų7739.8 Ų39.830%0.30223%0.228SC..THydrogen-bonded Turntrans-95.5-4.6-173.7-56.8-73.7000113.5E608 L609 R698E608-Y611 PolarHBondContact O-N 3.23Å; L609-Y611 PolarHBondContact O-N 2.77Å; Y611-R698 WeakPolarHBondContact O-CD 3.46Å
612Q92.6Very high92.7Very high18 Ų1841.3 Ų41.38%0.08424%0.238CC..SBendtrans-85.3151.2174.8-63-54.7-43.100112.2E608 L609 W629 L633 R698E608-Q612 PolarHBondContact O-N 3.42Å; L609-Q612 PolarHBondContact O-N 3.21Å; Q612-W629 HydrophobicContact CB-CZ2 4.35Å; Q612-L633 HydrophobicContact CG-CB 4.2Å; Q612-L633 HydrophobicContact CG-CD1 3.84Å; Q612-R698 PolarHBondContact O-NH1 3.08Å
613P92.4Very high92.9Very high78 Ų7844.9 Ų44.951%0.50625%0.252SS..PPolyproline II helixtrans-55.2151.3167.4-22.533.5000111.6L615 W629P613-L615 PolarHBondContact O-N 2.87Å; P613-W629 PolarHBondContact O-NE1 2.62Å
614T93.9Very high93.1Very high44 Ų4448.5 Ų48.527%0.2727%0.27SS..PPolyproline II helixtrans-69.4125.4175.8-56.60000109.8T616 C691T614-T616 HydrophobicContact CG2-CG2 4.26Å; T614-C691 HydrophobicContact CG2-CB 4.04Å; T614-C691 WeakPolarHBondContact OG1-CB 3.15Å
615L94.5Very high93.3Very high3 Ų347.7 Ų47.72%0.01626%0.261CS..PPolyproline II helixtrans-89.3117.9168.2-171.869.4000107.9P613 D619 L620 W629 P662 I682 Y687P613-L615 PolarHBondContact O-N 2.87Å; L615-D619 HydrophobicContact CD1-CB 3.63Å; L615-D619 HydrophobicContact CG-CB 4.37Å; L615-L620 HydrophobicContact CD2-CD2 3.88Å; L615-L620 HydrophobicContact CG-CD2 4.32Å; L615-W629 HydrophobicContact CB-CD2 4.09Å; L615-W629 HydrophobicContact CB-CG 4.32Å; L615-W629 HydrophobicContact CB-CZ2 4.23Å; L615-W629 HydrophobicContact CD1-CB 4.15Å; L615-W629 HydrophobicContact CD1-CD2 4.34Å; L615-W629 HydrophobicContact CD1-CG 3.98Å; L615-W629 HydrophobicContact CD2-CD2 4.07Å; L615-W629 HydrophobicContact CD2-CE3 3.92Å; L615-W629 HydrophobicContact CD2-CZ3 4.26Å; L615-W629 HydrophobicContact CG-CD2 4.41Å; L615-P662 HydrophobicContact CD2-CG 3.97Å; L615-I682 HydrophobicContact CB-CD1 4.32Å; L615-I682 HydrophobicContact CD2-CD1 3.92Å; L615-I682 HydrophobicContact CG-CD1 4.46Å; L615-I682 WeakPolarHBondContact O-CG2 3.2Å; L615-Y687 WeakPolarHBondContact CB-OH 3.43Å; L615-Y687 PolarHBondContact N-OH 2.94Å; L615-Y687 WeakPolarHBondContact O-CE1 3.37Å
616T93.2Very high93.4Very high62 Ų6247.7 Ų47.738%0.3826%0.261SS..PPolyproline II helixtrans-93.8162.7-176.970.30000111.8T614 A618 D619 L620T614-T616 HydrophobicContact CG2-CG2 4.26Å; T616-A618 PolarHBondContact O-N 3.31Å; T616-D619 WeakPolarHBondContact CA-OD2 3.32Å; T616-D619 WeakPolarHBondContact CB-OD2 3.44Å; T616-D619 PolarHBondContact N-OD2 2.92Å; T616-D619 WeakPolarHBondContact O-CB 3.26Å; T616-D619 PolarHBondContact O-N 3.01Å; T616-D619 PolarHBondContact OG1-N 3.3Å; T616-D619 PolarHBondContact OG1-OD2 2.82Å; T616-L620 PolarHBondContact O-N 3.1Å
617E91.4Very high93.5Very high110 Ų11050 Ų5051%0.51428%0.275SS..THydrogen-bonded Turntrans-56.2-35173.7-177.7176.6-168.600112.3D619 L620 H679 T683E617-D619 VanDerWaalsContact C-N 3.32Å; E617-D619 PolarHBondContact O-N 3.45Å; E617-L620 WeakPolarHBondContact O-CB 3.41Å; E617-L620 PolarHBondContact O-N 3.36Å; E617-H679 IonicContact OE1-CD2 3.57Å; E617-H679 IonicContact OE1-CE1 3.83Å; E617-H679 IonicContact OE1-NE2 3.68Å; E617-H679 PolarHBondContact OE1-NE2 2.87Å; E617-T683 HydrophobicContact CB-CG2 4.2Å; E617-T683 HydrophobicContact CG-CG2 4.2Å
618A91.9Very high93.7Very high71 Ų7155 Ų5559%0.58729%0.292SS*.THydrogen-bonded Turntrans-66.4-34.8176.700000112.3T616 L620 S621T616-A618 PolarHBondContact O-N 3.31Å; A618-L620 PolarHBondContact O-N 3.34Å; A618-S621 WeakPolarHBondContact O-CB 3.5Å; A618-S621 PolarHBondContact O-N 2.82Å; A618-S621 PolarHBondContact O-OG 3.38Å
619D93.4Very high93.8Very high49 Ų4955.4 Ų55.426%0.26229%0.293SS..G310 helixtrans-67.5-26.3-179.8-60.6-47.7000112.2L615 T616 E617 S621 D622 T625L615-D619 HydrophobicContact CD1-CB 3.63Å; L615-D619 HydrophobicContact CG-CB 4.37Å; T616-D619 WeakPolarHBondContact CA-OD2 3.32Å; T616-D619 WeakPolarHBondContact CB-OD2 3.44Å; T616-D619 PolarHBondContact N-OD2 2.92Å; T616-D619 WeakPolarHBondContact O-CB 3.26Å; T616-D619 PolarHBondContact O-N 3.01Å; T616-D619 PolarHBondContact OG1-N 3.3Å; T616-D619 PolarHBondContact OG1-OD2 2.82Å; E617-D619 VanDerWaalsContact C-N 3.32Å; E617-D619 PolarHBondContact O-N 3.45Å; D619-S621 PolarHBondContact O-N 3.21Å; D619-S621 VanDerWaalsContact O-N 3.09Å; D619-D622 PolarHBondContact O-N 3.43Å; D619-T625 HydrophobicContact CB-CG2 3.99Å
620L93.4Very high93.9Very high0 Ų055.2 Ų55.20%029%0.292CS..G310 helixtrans-64-12.4176.3-59.3179.9000112.9L615 T616 E617 A618 D622 V626 L659 F660 H679 I682L615-L620 HydrophobicContact CD2-CD2 3.88Å; L615-L620 HydrophobicContact CG-CD2 4.32Å; T616-L620 PolarHBondContact O-N 3.1Å; E617-L620 WeakPolarHBondContact O-CB 3.41Å; E617-L620 PolarHBondContact O-N 3.36Å; A618-L620 PolarHBondContact O-N 3.34Å; L620-D622 VanDerWaalsContact C-N 3.32Å; L620-V626 HydrophobicContact CD2-CG2 4.23Å; L620-L659 HydrophobicContact CB-CB 4.22Å; L620-L659 HydrophobicContact CB-CD1 4.48Å; L620-L659 HydrophobicContact CB-CD2 4Å; L620-L659 HydrophobicContact CB-CG 4.46Å; L620-L659 HydrophobicContact CD1-CD1 4.37Å; L620-L659 CarbonylContact O-C 3.52Å; L620-L659 WeakPolarHBondContact O-CA 3.27Å; L620-F660 WeakPolarHBondContact CD2-O 3.37Å; L620-F660 PolarHBondContact O-N 3.14Å; L620-H679 HydrophobicContact CD1-CB 4.49Å; L620-I682 HydrophobicContact CD1-CB 4.22Å; L620-I682 HydrophobicContact CD1-CG1 4.38Å; L620-I682 HydrophobicContact CD1-CG2 4.16Å; L620-I682 HydrophobicContact CD2-CG1 4.35Å
621S92.5Very high94.1Very high81 Ų8159.3 Ų59.357%0.56631%0.314SS*.G310 helixtrans-81-9173.868.60000114.2A618 D619A618-S621 WeakPolarHBondContact O-CB 3.5Å; A618-S621 PolarHBondContact O-N 2.82Å; A618-S621 PolarHBondContact O-OG 3.38Å; D619-S621 PolarHBondContact O-N 3.21Å; D619-S621 VanDerWaalsContact O-N 3.09Å
622D93.3Very high94.3Very high62 Ų6257.9 Ų57.933%0.33232%0.318SS..  trans-122.9105.3-178.9174.626.4000112.2D619 L620 Q624 T625 V626D619-D622 PolarHBondContact O-N 3.43Å; L620-D622 VanDerWaalsContact C-N 3.32Å; D622-Q624 PolarHBondContact O-N 2.97Å; D622-Q624 VanDerWaalsContact O-N 3.17Å; D622-Q624 PolarHBondContact OD1-N 2.96Å; D622-Q624 VanDerWaalsContact OD1-N 3.13Å; D622-T625 PolarHBondContact O-N 3.26Å; D622-T625 VanDerWaalsContact O-N 3.08Å; D622-T625 VanDerWaalsContact OD2-CB 3.23Å; D622-T625 WeakPolarHBondContact OD2-CB 3.36Å; D622-T625 PolarHBondContact OD2-N 2.65Å; D622-T625 PolarHBondContact OD2-OG1 2.69Å; D622-V626 PolarHBondContact O-N 3.01Å; D622-V626 VanDerWaalsContact O-N 3.07Å
623E94.7Very high94.4Very high97 Ų9757 Ų5745%0.45331%0.314SS..Hα-helixtrans-52.6-38.1178.8-167.9-177.117700112.9V626 T627 V651 F660E623-V626 PolarHBondContact O-N 3.4Å; E623-T627 VanDerWaalsContact O-CB 3.28Å; E623-T627 WeakPolarHBondContact O-CB 3.49Å; E623-T627 PolarHBondContact O-N 3Å; E623-T627 PolarHBondContact O-OG1 3.34Å; E623-V651 HydrophobicContact CG-CG1 4.35Å; E623-F660 HydrophobicContact CB-CB 4.48Å; E623-F660 HydrophobicContact CB-CD1 3.71Å; E623-F660 HydrophobicContact CB-CD2 3.85Å; E623-F660 HydrophobicContact CB-CE1 3.78Å; E623-F660 HydrophobicContact CB-CE2 3.92Å; E623-F660 HydrophobicContact CB-CG 3.74Å; E623-F660 HydrophobicContact CB-CZ 3.88Å; E623-F660 HydrophobicContact CG-CD1 3.75Å; E623-F660 HydrophobicContact CG-CE1 3.98Å; E623-F660 HydrophobicContact CG-CG 4.15Å; E623-F660 VanDerWaalsContact N-CD2 3.29Å
624Q95Very high94.6Very high142 Ų14253.7 Ų53.766%0.66429%0.292SS*.Hα-helixtrans-70.9-35.2-178.1-66.8-173.28.300112D622 R628D622-Q624 PolarHBondContact O-N 2.97Å; D622-Q624 VanDerWaalsContact O-N 3.17Å; D622-Q624 PolarHBondContact OD1-N 2.96Å; D622-Q624 VanDerWaalsContact OD1-N 3.13Å; Q624-R628 WeakPolarHBondContact O-CB 3.42Å; Q624-R628 VanDerWaalsContact O-CG 3.25Å; Q624-R628 WeakPolarHBondContact O-CG 3.47Å; Q624-R628 PolarHBondContact O-N 2.93Å; Q624-R628 VanDerWaalsContact O-N 3.11Å; Q624-R628 PolarHBondContact O-NE 2.91Å; Q624-R628 VanDerWaalsContact O-NE 3.16Å
625T95Very high94.7Very high34 Ų3454.4 Ų54.421%0.20930%0.299CS..Hα-helixtrans-69.9-45.1175.6-67.90000110.6D619 D622 T627 R628 W629D619-T625 HydrophobicContact CB-CG2 3.99Å; D622-T625 PolarHBondContact O-N 3.26Å; D622-T625 VanDerWaalsContact O-N 3.08Å; D622-T625 VanDerWaalsContact OD2-CB 3.23Å; D622-T625 WeakPolarHBondContact OD2-CB 3.36Å; D622-T625 PolarHBondContact OD2-N 2.65Å; D622-T625 PolarHBondContact OD2-OG1 2.69Å; T625-T627 PolarHBondContact O-N 2.95Å; T625-R628 PolarHBondContact O-N 3.42Å; T625-R628 PolarHBondContact OG1-NH2 3.46Å; T625-W629 WeakPolarHBondContact O-CB 3.08Å; T625-W629 PolarHBondContact O-N 3.17Å
626V95.6Very high94.6Very high0 Ų057.4 Ų57.40%031%0.313CS..Hα-helixtrans-60.2-47.9175.5176.70000111.5L620 D622 E623 R628 W629 V630 V651 F660 P662L620-V626 HydrophobicContact CD2-CG2 4.23Å; D622-V626 PolarHBondContact O-N 3.01Å; D622-V626 VanDerWaalsContact O-N 3.07Å; E623-V626 PolarHBondContact O-N 3.4Å; V626-R628 PolarHBondContact O-N 2.93Å; V626-W629 PolarHBondContact O-N 3.45Å; V626-V630 WeakPolarHBondContact O-CG1 3.36Å; V626-V630 PolarHBondContact O-N 2.99Å; V626-V651 HydrophobicContact CG1-CG1 4.02Å; V626-V651 HydrophobicContact CG1-CG2 4.2Å; V626-F660 HydrophobicContact CB-CB 4.49Å; V626-F660 HydrophobicContact CG2-CB 4.22Å; V626-P662 HydrophobicContact CG1-CB 4Å; V626-P662 HydrophobicContact CG1-CG 3.92Å
627T96.5Very high94.6Very high48 Ų4854.8 Ų54.829%0.29430%0.297SS..Hα-helixtrans-60-45.1179.6-57.10000111.5E623 T625 W629 V630 N631 F649E623-T627 VanDerWaalsContact O-CB 3.28Å; E623-T627 WeakPolarHBondContact O-CB 3.49Å; E623-T627 PolarHBondContact O-N 3Å; E623-T627 PolarHBondContact O-OG1 3.34Å; T625-T627 PolarHBondContact O-N 2.95Å; T627-W629 VanDerWaalsContact C-N 3.34Å; T627-W629 PolarHBondContact O-N 2.96Å; T627-V630 WeakPolarHBondContact O-CG1 3.45Å; T627-N631 WeakPolarHBondContact O-CB 3.46Å; T627-N631 PolarHBondContact O-N 2.84Å; T627-F649 HydrophobicContact CG2-CE2 4.07Å; T627-F649 HydrophobicContact CG2-CZ 4.38Å
628R96Very high94.8Very high162 Ų16252.4 Ų52.461%0.61129%0.287SS*.Hα-helixtrans-62.9-42.5177.6-76.8-178.2-64.7161.10.7111.8Q624 T625 V626 A632Q624-R628 WeakPolarHBondContact O-CB 3.42Å; Q624-R628 VanDerWaalsContact O-CG 3.25Å; Q624-R628 WeakPolarHBondContact O-CG 3.47Å; Q624-R628 PolarHBondContact O-N 2.93Å; Q624-R628 VanDerWaalsContact O-N 3.11Å; Q624-R628 PolarHBondContact O-NE 2.91Å; Q624-R628 VanDerWaalsContact O-NE 3.16Å; T625-R628 PolarHBondContact O-N 3.42Å; T625-R628 PolarHBondContact OG1-NH2 3.46Å; V626-R628 PolarHBondContact O-N 2.93Å; R628-A632 PolarHBondContact O-N 3.22Å
629W96.5Very high94.7Very high21 Ų2154.8 Ų54.88%0.0829%0.29CS..Hα-helixtrans-63.5-50.9-179.7-177.192.2000111.9L609 Q612 P613 L615 T625 V626 T627 N631 A632 L633 P662 L677L609-W629 HydrophobicContact CD2-CH2 3.5Å; L609-W629 VanDerWaalsContact CD2-CH2 3.5Å; L609-W629 HydrophobicContact CD2-CZ2 3.78Å; Q612-W629 HydrophobicContact CB-CZ2 4.35Å; P613-W629 PolarHBondContact O-NE1 2.62Å; L615-W629 HydrophobicContact CB-CD2 4.09Å; L615-W629 HydrophobicContact CB-CG 4.32Å; L615-W629 HydrophobicContact CB-CZ2 4.23Å; L615-W629 HydrophobicContact CD1-CB 4.15Å; L615-W629 HydrophobicContact CD1-CD2 4.34Å; L615-W629 HydrophobicContact CD1-CG 3.98Å; L615-W629 HydrophobicContact CD2-CD2 4.07Å; L615-W629 HydrophobicContact CD2-CE3 3.92Å; L615-W629 HydrophobicContact CD2-CZ3 4.26Å; L615-W629 HydrophobicContact CG-CD2 4.41Å; T625-W629 WeakPolarHBondContact O-CB 3.08Å; T625-W629 PolarHBondContact O-N 3.17Å; V626-W629 PolarHBondContact O-N 3.45Å; T627-W629 VanDerWaalsContact C-N 3.34Å; T627-W629 PolarHBondContact O-N 2.96Å; W629-N631 VanDerWaalsContact C-N 3.34Å; W629-N631 PolarHBondContact O-N 3.17Å; W629-A632 PolarHBondContact O-N 3.24Å; W629-L633 HydrophobicContact CH2-CD2 3.93Å; W629-L633 HydrophobicContact CZ3-CD2 4.01Å; W629-L633 PolarHBondContact O-N 3.09Å; W629-P662 HydrophobicContact CE3-CG 4.42Å; W629-P662 HydrophobicContact CZ3-CG 4.25Å; W629-L677 HydrophobicContact CH2-CD1 4.04Å; W629-L677 HydrophobicContact CZ3-CD1 3.9Å
630V96.2Very high94.5Very high0 Ų057.3 Ų57.30%030%0.299CS..Hα-helixtrans-70.1-32.2-177.571.30000112.2V626 T627 L633 V634 F649 V651 P662 V664V626-V630 WeakPolarHBondContact O-CG1 3.36Å; V626-V630 PolarHBondContact O-N 2.99Å; T627-V630 WeakPolarHBondContact O-CG1 3.45Å; V630-L633 PolarHBondContact O-N 2.88Å; V630-V634 HydrophobicContact CG2-CG2 4.49Å; V630-V634 WeakPolarHBondContact O-CB 3.36Å; V630-V634 WeakPolarHBondContact O-CG2 3.37Å; V630-V634 PolarHBondContact O-N 3.47Å; V630-F649 HydrophobicContact CB-CB 4.38Å; V630-F649 HydrophobicContact CB-CD2 4.45Å; V630-F649 HydrophobicContact CB-CG 4.38Å; V630-F649 HydrophobicContact CG1-CB 3.99Å; V630-F649 HydrophobicContact CG1-CD1 4.29Å; V630-F649 HydrophobicContact CG1-CD2 3.26Å; V630-F649 HydrophobicContact CG1-CE2 3.71Å; V630-F649 HydrophobicContact CG1-CG 3.59Å; V630-F649 HydrophobicContact CG1-CZ 4.39Å; V630-F649 HydrophobicContact CG2-CB 3.51Å; V630-F649 HydrophobicContact CG2-CD2 4.43Å; V630-F649 HydrophobicContact CG2-CG 4.01Å; V630-V651 HydrophobicContact CG1-CG2 4.26Å; V630-P662 HydrophobicContact CB-CB 3.84Å; V630-P662 HydrophobicContact CG1-CB 4.38Å; V630-P662 HydrophobicContact CG2-CB 3.79Å; V630-V664 HydrophobicContact CG2-CG2 4.09Å
631N96.6Very high94.2Very high87 Ų8759.6 Ų59.647%0.46531%0.31SS..Hα-helixtrans-63.1-40.7173.4-178.265.4000112T627 W629 V634 S635 F649T627-N631 WeakPolarHBondContact O-CB 3.46Å; T627-N631 PolarHBondContact O-N 2.84Å; W629-N631 VanDerWaalsContact C-N 3.34Å; W629-N631 PolarHBondContact O-N 3.17Å; N631-V634 PolarHBondContact O-N 3.44Å; N631-S635 WeakPolarHBondContact O-CB 3.22Å; N631-S635 PolarHBondContact O-N 3.16Å; N631-F649 HydrophobicContact CB-CD1 4.5Å; N631-F649 HydrophobicContact CB-CE1 3.64Å; N631-F649 HydrophobicContact CB-CZ 3.75Å; N631-F649 WeakPolarHBondContact OD1-CE1 3.31Å
632A95.6Very high93.6Very high46 Ų4663.6 Ų63.638%0.3832%0.319SS..Hα-helixtrans-62.9-45.617600000111.6R628 W629 S635 E636R628-A632 PolarHBondContact O-N 3.22Å; W629-A632 PolarHBondContact O-N 3.24Å; A632-S635 PolarHBondContact O-N 2.88Å; A632-E636 PolarHBondContact O-N 3.34Å
633L95.4Very high92.9Very high0 Ų068.3 Ų68.30%034%0.339CS..Hα-helixtrans-59-49175.3173.661.9000112M605 E608 L609 Q612 W629 V630 E636 L637 V664 L677M605-L633 HydrophobicContact CG-CD2 4.47Å; E608-L633 HydrophobicContact CB-CD1 3.89Å; E608-L633 HydrophobicContact CG-CD1 3.81Å; L609-L633 HydrophobicContact CD2-CD1 4.21Å; L609-L633 HydrophobicContact CD2-CD2 3.71Å; Q612-L633 HydrophobicContact CG-CB 4.2Å; Q612-L633 HydrophobicContact CG-CD1 3.84Å; W629-L633 HydrophobicContact CH2-CD2 3.93Å; W629-L633 HydrophobicContact CZ3-CD2 4.01Å; W629-L633 PolarHBondContact O-N 3.09Å; V630-L633 PolarHBondContact O-N 2.88Å; L633-E636 PolarHBondContact O-N 3.23Å; L633-L637 HydrophobicContact CD1-CD1 3.94Å; L633-L637 HydrophobicContact CD1-CG 4.19Å; L633-L637 HydrophobicContact CG-CD1 3.94Å; L633-L637 VanDerWaalsContact O-CG 3.31Å; L633-L637 WeakPolarHBondContact O-CG 3.32Å; L633-L637 PolarHBondContact O-N 3.07Å; L633-V664 HydrophobicContact CD2-CG2 4.21Å; L633-L677 HydrophobicContact CD2-CD1 4.47Å
634V95.9Very high92.4Very high8 Ų867 Ų675%0.04835%0.351CS..Hα-helixtrans-68.5-34.2-178.3166.30000112.7V630 N631 L637 N638 W647 F649 V664V630-V634 HydrophobicContact CG2-CG2 4.49Å; V630-V634 WeakPolarHBondContact O-CB 3.36Å; V630-V634 WeakPolarHBondContact O-CG2 3.37Å; V630-V634 PolarHBondContact O-N 3.47Å; N631-V634 PolarHBondContact O-N 3.44Å; V634-L637 PolarHBondContact O-N 2.83Å; V634-N638 WeakPolarHBondContact CG1-ND2 3.34Å; V634-N638 PolarHBondContact O-N 3.36Å; V634-N638 PolarHBondContact O-ND2 3.11Å; V634-W647 HydrophobicContact CG1-CB 4.05Å; V634-W647 WeakPolarHBondContact CG1-O 3.18Å; V634-F649 HydrophobicContact CB-CD1 4.07Å; V634-F649 HydrophobicContact CG1-CD1 4.26Å; V634-F649 HydrophobicContact CG2-CB 3.92Å; V634-F649 HydrophobicContact CG2-CD1 4.08Å; V634-F649 HydrophobicContact CG2-CG 4.46Å; V634-V664 HydrophobicContact CG2-CG1 4.39Å
635S95.6Very high92.1Very high59 Ų5961.3 Ų61.341%0.41333%0.327SS..Hα-helixtrans-59.6-50.9173.8-167.80000110.3N631 A632 L637 N638 D639N631-S635 WeakPolarHBondContact O-CB 3.22Å; N631-S635 PolarHBondContact O-N 3.16Å; A632-S635 PolarHBondContact O-N 2.88Å; S635-L637 VanDerWaalsContact C-N 3.35Å; S635-L637 PolarHBondContact O-N 3.02Å; S635-N638 PolarHBondContact O-N 3.05Å; S635-D639 PolarHBondContact O-N 3.28Å
636E92.6Very high92Very high67 Ų6764 Ų6431%0.31334%0.338SS..Hα-helixtrans-64.9-37.8-178.6-168.662.6-151.900112.4E608 A632 L633 D639 K640E608-E636 VanDerWaalsContact CD-CG 3.45Å; E608-E636 HydrophobicContact CG-CB 4.3Å; E608-E636 HydrophobicContact CG-CG 3.96Å; E608-E636 WeakPolarHBondContact OE1-CG 3.41Å; A632-E636 PolarHBondContact O-N 3.34Å; L633-E636 PolarHBondContact O-N 3.23Å; E636-D639 PolarHBondContact O-N 3.21Å; E636-K640 HydrophobicContact CG-CD 4.28Å; E636-K640 WeakPolarHBondContact O-CB 3.45Å; E636-K640 PolarHBondContact O-N 2.9Å; E636-K640 WeakPolarHBondContact OE1-CE 3.31Å; E636-K640 IonicContact OE1-NZ 3.68Å; E636-K640 PolarHBondContact OE1-NZ 3.39Å
637L94Very high92Very high7 Ų764.6 Ų64.64%0.03734%0.34CS..Hα-helixtrans-63.1-40.7174.3-74169.6000112.5M605 E608 L633 V634 S635 E641 W647M605-L637 HydrophobicContact CB-CD1 4.31Å; M605-L637 HydrophobicContact CG-CD1 4.18Å; E608-L637 HydrophobicContact CB-CD2 3.79Å; E608-L637 HydrophobicContact CB-CG 4.36Å; E608-L637 HydrophobicContact CG-CD2 4.19Å; E608-L637 HydrophobicContact CG-CG 4.34Å; L633-L637 HydrophobicContact CD1-CD1 3.94Å; L633-L637 HydrophobicContact CD1-CG 4.19Å; L633-L637 HydrophobicContact CG-CD1 3.94Å; L633-L637 VanDerWaalsContact O-CG 3.31Å; L633-L637 WeakPolarHBondContact O-CG 3.32Å; L633-L637 PolarHBondContact O-N 3.07Å; V634-L637 PolarHBondContact O-N 2.83Å; S635-L637 VanDerWaalsContact C-N 3.35Å; S635-L637 PolarHBondContact O-N 3.02Å; L637-E641 WeakPolarHBondContact O-CB 3.4Å; L637-E641 PolarHBondContact O-N 3Å; L637-W647 HydrophobicContact CB-CB 4.2Å; L637-W647 HydrophobicContact CB-CD2 4.04Å; L637-W647 HydrophobicContact CB-CG 3.79Å; L637-W647 HydrophobicContact CD1-CD2 4.06Å; L637-W647 HydrophobicContact CD1-CE3 3.85Å; L637-W647 HydrophobicContact CD1-CG 4.49Å; L637-W647 HydrophobicContact CD1-CZ3 4.25Å
638N94.4Very high91.9Very high59 Ų5966.3 Ų66.332%0.31634%0.343SS..Hα-helixtrans-69.4-37.1175.4-77.3-58.9000112.1V634 S635 K640 E641 W647V634-N638 WeakPolarHBondContact CG1-ND2 3.34Å; V634-N638 PolarHBondContact O-N 3.36Å; V634-N638 PolarHBondContact O-ND2 3.11Å; S635-N638 PolarHBondContact O-N 3.05Å; N638-K640 VanDerWaalsContact C-N 3.29Å; N638-K640 PolarHBondContact O-N 3.32Å; N638-E641 WeakPolarHBondContact O-CB 3.47Å; N638-E641 PolarHBondContact O-N 3.39Å; N638-W647 PolarHBondContact ND2-O 2.98Å; N638-W647 PolarHBondContact OD1-N 3.35Å
639D91.6Very high92Very high122 Ų12261.8 Ų61.865%0.65233%0.328SS*.Hα-helixtrans-66.4-32.3178.5-72-22.3000112.2S635 E636S635-D639 PolarHBondContact O-N 3.28Å; E636-D639 PolarHBondContact O-N 3.21Å
640K88.2Confident91.9Very high102 Ų10264.9 Ų64.944%0.44335%0.346SS..THydrogen-bonded Turntrans-89.1-6.4177.5-74.6170.5170.1147.40114.6E608 E636 N638E608-K640 IonicContact OE1-NZ 3.01Å; E608-K640 PolarHBondContact OE1-NZ 3.37Å; E608-K640 VanDerWaalsContact OE2-CD 3.27Å; E608-K640 WeakPolarHBondContact OE2-CD 3.15Å; E608-K640 IonicContact OE2-NZ 2.59Å; E608-K640 PolarHBondContact OE2-NZ 2.98Å; E636-K640 HydrophobicContact CG-CD 4.28Å; E636-K640 WeakPolarHBondContact O-CB 3.45Å; E636-K640 PolarHBondContact O-N 2.9Å; E636-K640 WeakPolarHBondContact OE1-CE 3.31Å; E636-K640 IonicContact OE1-NZ 3.68Å; E636-K640 PolarHBondContact OE1-NZ 3.39Å; N638-K640 VanDerWaalsContact C-N 3.29Å; N638-K640 PolarHBondContact O-N 3.32Å
641E87.7Confident91.8Very high48 Ų4865.9 Ų65.922%0.22435%0.352CS..  trans-72128.2-173.9-179.555.9-131.400112.4L637 N638 H643 G644 S645 W647L637-E641 WeakPolarHBondContact O-CB 3.4Å; L637-E641 PolarHBondContact O-N 3Å; N638-E641 WeakPolarHBondContact O-CB 3.47Å; N638-E641 PolarHBondContact O-N 3.39Å; E641-H643 WeakPolarHBondContact OE1-CA 3.38Å; E641-H643 PolarHBondContact OE1-N 3.27Å; E641-G644 PolarHBondContact OE1-N 3.27Å; E641-S645 VanDerWaalsContact CG-O 3.29Å; E641-S645 WeakPolarHBondContact CG-O 3.35Å; E641-S645 PolarHBondContact OE1-N 2.67Å; E641-W647 PolarHBondContact OE2-NE1 3.13Å
642Q80Confident91.7Very high165 Ų16566.4 Ų66.477%0.77135%0.352SS*.  trans-121-12-177-64.6-175.5400114
643H78.2Confident91.5Very high160 Ų16067.6 Ų67.674%0.74135%0.354SS*.SBendtrans-111.814-167.9-58.7-53000113.3E641 S645E641-H643 WeakPolarHBondContact OE1-CA 3.38Å; E641-H643 PolarHBondContact OE1-N 3.27Å; H643-S645 VanDerWaalsContact C-N 3.35Å
644G83.2Confident91Very high69 Ų6969 Ų6971%0.71136%0.362SS*.SBendtrans78.517.4174.200000114.2E641E641-G644 PolarHBondContact OE1-N 3.27Å
645S89.4Confident90.3Very high24 Ų2472.9 Ų72.917%0.16840%0.395CS..  trans-75.6160.7166-54.50000110.5E641 H643 R667 T668E641-S645 VanDerWaalsContact CG-O 3.29Å; E641-S645 WeakPolarHBondContact CG-O 3.35Å; E641-S645 PolarHBondContact OE1-N 2.67Å; H643-S645 VanDerWaalsContact C-N 3.35Å; S645-R667 CarbonylContact C-O 3.58Å; S645-R667 VanDerWaalsContact CA-O 3.25Å; S645-R667 WeakPolarHBondContact CA-O 3.47Å; S645-T668 PolarHBondContact OG-OG1 3.34Å
646Q92.4Very high89.4Confident91 Ų9179.1 Ų79.143%0.42542%0.417SS..EExtended strand (participates in β ladder)trans-129.1126.9170.5-174.5-179.72600109.4R667Q646-R667 HydrophobicContact CB-CB 4.34Å; Q646-R667 PolarHBondContact N-O 2.6Å; Q646-R667 PolarHBondContact O-N 3.06Å
647W95.5Very high88.6Confident11 Ų1180.2 Ų80.24%0.04242%0.423CS..EExtended strand (participates in β ladder)trans-97.3135.9-179.5-59.886.3000110.6P602 A604 M605 V634 L637 N638 E641 V664 R665 V666P602-W647 HydrophobicContact CB-CH2 3.65Å; P602-W647 HydrophobicContact CB-CZ3 4.37Å; P602-W647 HydrophobicContact CG-CH2 3.91Å; P602-W647 HydrophobicContact CG-CZ3 4.21Å; A604-W647 HydrophobicContact CB-CZ2 4.1Å; M605-W647 HydrophobicContact CB-CH2 4.22Å; M605-W647 HydrophobicContact CB-CZ3 4.11Å; V634-W647 HydrophobicContact CG1-CB 4.05Å; V634-W647 WeakPolarHBondContact CG1-O 3.18Å; L637-W647 HydrophobicContact CB-CB 4.2Å; L637-W647 HydrophobicContact CB-CD2 4.04Å; L637-W647 HydrophobicContact CB-CG 3.79Å; L637-W647 HydrophobicContact CD1-CD2 4.06Å; L637-W647 HydrophobicContact CD1-CE3 3.85Å; L637-W647 HydrophobicContact CD1-CG 4.49Å; L637-W647 HydrophobicContact CD1-CZ3 4.25Å; N638-W647 PolarHBondContact ND2-O 2.98Å; N638-W647 PolarHBondContact OD1-N 3.35Å; E641-W647 PolarHBondContact OE2-NE1 3.13Å; W647-V664 HydrophobicContact CE3-CG1 3.65Å; W647-V664 HydrophobicContact CZ3-CG1 3.91Å; W647-R665 CarbonylContact C-O 3.56Å; W647-R665 WeakPolarHBondContact CA-O 3.47Å; W647-V666 HydrophobicContact CD2-CB 4.28Å; W647-V666 HydrophobicContact CD2-CG2 3.89Å; W647-V666 HydrophobicContact CE3-CB 3.9Å; W647-V666 HydrophobicContact CE3-CG2 4Å; W647-V666 HydrophobicContact CH2-CB 4.08Å; W647-V666 HydrophobicContact CH2-CG2 3.88Å; W647-V666 HydrophobicContact CZ2-CB 4.44Å; W647-V666 HydrophobicContact CZ2-CG2 3.76Å; W647-V666 HydrophobicContact CZ3-CB 3.8Å; W647-V666 HydrophobicContact CZ3-CG2 4.01Å
648K96.1Very high88.2Confident85 Ų8585.9 Ų85.937%0.3745%0.453SS..EExtended strand (participates in β ladder)trans-136.6169.3174.5-65-176.1-177.6178.50108.9R665K648-R665 HydrophobicContact CB-CB 4.31Å; K648-R665 PolarHBondContact N-O 2.69Å; K648-R665 PolarHBondContact O-N 3.48Å
649F96.8Very high88.1Confident66 Ų6684 Ų8429%0.28944%0.443SS..EExtended strand (participates in β ladder)trans-133.8163.3170.367.1-88.3000111.7T627 V630 N631 V634 V651 I663T627-F649 HydrophobicContact CG2-CE2 4.07Å; T627-F649 HydrophobicContact CG2-CZ 4.38Å; V630-F649 HydrophobicContact CB-CB 4.38Å; V630-F649 HydrophobicContact CB-CD2 4.45Å; V630-F649 HydrophobicContact CB-CG 4.38Å; V630-F649 HydrophobicContact CG1-CB 3.99Å; V630-F649 HydrophobicContact CG1-CD1 4.29Å; V630-F649 HydrophobicContact CG1-CD2 3.26Å; V630-F649 HydrophobicContact CG1-CE2 3.71Å; V630-F649 HydrophobicContact CG1-CG 3.59Å; V630-F649 HydrophobicContact CG1-CZ 4.39Å; V630-F649 HydrophobicContact CG2-CB 3.51Å; V630-F649 HydrophobicContact CG2-CD2 4.43Å; V630-F649 HydrophobicContact CG2-CG 4.01Å; N631-F649 HydrophobicContact CB-CD1 4.5Å; N631-F649 HydrophobicContact CB-CE1 3.64Å; N631-F649 HydrophobicContact CB-CZ 3.75Å; N631-F649 WeakPolarHBondContact OD1-CE1 3.31Å; V634-F649 HydrophobicContact CB-CD1 4.07Å; V634-F649 HydrophobicContact CG1-CD1 4.26Å; V634-F649 HydrophobicContact CG2-CB 3.92Å; V634-F649 HydrophobicContact CG2-CD1 4.08Å; V634-F649 HydrophobicContact CG2-CG 4.46Å; F649-V651 HydrophobicContact CD2-CG2 4.43Å; F649-I663 CarbonylContact C-O 3.52Å; F649-I663 WeakPolarHBondContact CA-O 3.44Å; F649-I663 WeakPolarHBondContact CB-O 3.45Å
650D94.7Very high88.2Confident86 Ų8680 Ų8046%0.4642%0.42SS..EExtended strand (participates in β ladder)trans-134.9164.9164.1-151.8-17.2000108.6I663D650-I663 HydrophobicContact CB-CB 4.31Å; D650-I663 PolarHBondContact N-O 2.72Å; D650-I663 PolarHBondContact O-N 3.07Å
651V95.2Very high88.4Confident22 Ų2276.1 Ų76.113%0.13340%0.403CS..EExtended strand (participates in β ladder)trans-124.4114172.9179.80000108.1E623 V626 V630 F649 F660E623-V651 HydrophobicContact CG-CG1 4.35Å; V626-V651 HydrophobicContact CG1-CG1 4.02Å; V626-V651 HydrophobicContact CG1-CG2 4.2Å; V630-V651 HydrophobicContact CG1-CG2 4.26Å; F649-V651 HydrophobicContact CD2-CG2 4.43Å; V651-F660 HydrophobicContact CG1-CB 3.89Å
652H92.8Very high88.8Confident97 Ų9773.8 Ų73.845%0.44939%0.392SS..EExtended strand (participates in β ladder)trans-93.4140.5-178.5176.7-98.6000110.8F660 E661 I663H652-F660 CarbonylContact O-C 3.51Å; H652-F660 WeakPolarHBondContact O-CA 3.38Å; H652-E661 PolarHBondContact N-O 3.37Å; H652-E661 IonicContact ND1-OE2 3.82Å; H652-E661 PolarHBondContact O-N 2.87Å; H652-I663 HydrophobicContact CB-CD1 3.65Å; H652-I663 HydrophobicContact CB-CG1 4.2Å
653T92.1Very high89.6Confident71 Ų7167.3 Ų67.344%0.43636%0.363SS..EExtended strand (participates in β ladder)trans-94.1113.5174.6-53.70000110.2A655 F660T653-A655 PolarHBondContact O-N 2.95Å; T653-F660 HydrophobicContact CG2-CE1 4.27Å
654N85.3Confident90.4Very high31 Ų3159.7 Ų59.717%0.16633%0.327CS..EExtended strand (participates in β ladder)trans-82.397170.9-176.3-24000109.6E656 Q657 N658 L659 E661N654-E656 VanDerWaalsContact C-N 3.29Å; N654-E656 PolarHBondContact O-N 2.89Å; N654-E656 PolarHBondContact OD1-N 2.72Å; N654-Q657 PolarHBondContact ND2-OE1 3.45Å; N654-Q657 PolarHBondContact O-N 3.39Å; N654-Q657 PolarHBondContact OD1-N 3.37Å; N654-N658 WeakPolarHBondContact O-CA 3.07Å; N654-N658 PolarHBondContact O-N 3.12Å; N654-L659 HydrophobicContact CB-CB 4.47Å; N654-L659 PolarHBondContact N-O 3.34Å; N654-L659 PolarHBondContact O-N 3.49Å; N654-E661 HydrophobicContact CB-CG 4.39Å; N654-E661 PolarHBondContact ND2-OE1 3.34Å
655A81.9Confident91Very high89 Ų8960 Ų6074%0.73631%0.307SS*.THydrogen-bonded Turntrans-66.4-26.2-175.200000114.1T653T653-A655 PolarHBondContact O-N 2.95Å
656E75.3Confident91.2Very high189 Ų18959.4 Ų59.488%0.88330%0.302SS*.THydrogen-bonded Turntrans-73-35.4-179-66.1-173.7174.500112N654N654-E656 VanDerWaalsContact C-N 3.29Å; N654-E656 PolarHBondContact O-N 2.89Å; N654-E656 PolarHBondContact OD1-N 2.72Å
657Q77Confident91.2Very high91 Ų9159.6 Ų59.643%0.42530%0.299SS..THydrogen-bonded Turntrans-104-7.6-179.4-62.2-175.8-47.500113.2N654 L659N654-Q657 PolarHBondContact ND2-OE1 3.45Å; N654-Q657 PolarHBondContact O-N 3.39Å; N654-Q657 PolarHBondContact OD1-N 3.37Å; Q657-L659 VanDerWaalsContact C-N 3.35Å; Q657-L659 HydrophobicContact CB-CB 4.45Å; Q657-L659 HydrophobicContact CB-CD1 3.77Å; Q657-L659 HydrophobicContact CB-CG 3.79Å
658N85.5Confident90.7Very high126 Ų12661.6 Ų61.667%0.67431%0.312SS*.THydrogen-bonded Turntrans55.747.7-173.1-164.246.8000112.2N654N654-N658 WeakPolarHBondContact O-CA 3.07Å; N654-N658 PolarHBondContact O-N 3.12Å
659L91.1Very high90.2Very high20 Ų2066.3 Ų66.311%0.10534%0.335CS..EExtended strand (participates in β ladder)trans-120.8154.8-178.3-60.5179.2000111.3L620 N654 Q657 H679L620-L659 HydrophobicContact CB-CB 4.22Å; L620-L659 HydrophobicContact CB-CD1 4.48Å; L620-L659 HydrophobicContact CB-CD2 4Å; L620-L659 HydrophobicContact CB-CG 4.46Å; L620-L659 HydrophobicContact CD1-CD1 4.37Å; L620-L659 CarbonylContact O-C 3.52Å; L620-L659 WeakPolarHBondContact O-CA 3.27Å; N654-L659 HydrophobicContact CB-CB 4.47Å; N654-L659 PolarHBondContact N-O 3.34Å; N654-L659 PolarHBondContact O-N 3.49Å; Q657-L659 VanDerWaalsContact C-N 3.35Å; Q657-L659 HydrophobicContact CB-CB 4.45Å; Q657-L659 HydrophobicContact CB-CD1 3.77Å; Q657-L659 HydrophobicContact CB-CG 3.79Å; L659-H679 HydrophobicContact CD1-CB 4.12Å; L659-H679 VanDerWaalsContact CD1-CD2 3.46Å; L659-H679 WeakPolarHBondContact CD1-CD2 3.31Å
660F93.6Very high89.6Confident38 Ų3866.2 Ų66.217%0.16735%0.353CS..EExtended strand (participates in β ladder)trans-107.1120.1173.3-58.1-80.6000109.4L620 E623 V626 V651 H652 T653L620-F660 WeakPolarHBondContact CD2-O 3.37Å; L620-F660 PolarHBondContact O-N 3.14Å; E623-F660 HydrophobicContact CB-CB 4.48Å; E623-F660 HydrophobicContact CB-CD1 3.71Å; E623-F660 HydrophobicContact CB-CD2 3.85Å; E623-F660 HydrophobicContact CB-CE1 3.78Å; E623-F660 HydrophobicContact CB-CE2 3.92Å; E623-F660 HydrophobicContact CB-CG 3.74Å; E623-F660 HydrophobicContact CB-CZ 3.88Å; E623-F660 HydrophobicContact CG-CD1 3.75Å; E623-F660 HydrophobicContact CG-CE1 3.98Å; E623-F660 HydrophobicContact CG-CG 4.15Å; E623-F660 VanDerWaalsContact N-CD2 3.29Å; V626-F660 HydrophobicContact CB-CB 4.49Å; V626-F660 HydrophobicContact CG2-CB 4.22Å; V651-F660 HydrophobicContact CG1-CB 3.89Å; H652-F660 CarbonylContact O-C 3.51Å; H652-F660 WeakPolarHBondContact O-CA 3.38Å; T653-F660 HydrophobicContact CG2-CE1 4.27Å
661E93.7Very high89.2Confident19 Ų1966.7 Ų66.79%0.08936%0.359CS..EExtended strand (participates in β ladder)trans-115125.6-171.3-66.6173.4157.200110.4H652 N654 H679H652-E661 PolarHBondContact N-O 3.37Å; H652-E661 IonicContact ND1-OE2 3.82Å; H652-E661 PolarHBondContact O-N 2.87Å; N654-E661 HydrophobicContact CB-CG 4.39Å; N654-E661 PolarHBondContact ND2-OE1 3.34Å; E661-H679 PolarHBondContact OE1-N 3.09Å; E661-H679 VanDerWaalsContact OE1-N 3.13Å
662P96.2Very high89Confident0 Ų068.5 Ų68.50%037%0.368CS..EExtended strand (participates in β ladder)trans-72.6137.5177.419.5-18.7000111.8L615 V626 W629 V630 L677L615-P662 HydrophobicContact CD2-CG 3.97Å; V626-P662 HydrophobicContact CG1-CB 4Å; V626-P662 HydrophobicContact CG1-CG 3.92Å; W629-P662 HydrophobicContact CE3-CG 4.42Å; W629-P662 HydrophobicContact CZ3-CG 4.25Å; V630-P662 HydrophobicContact CB-CB 3.84Å; V630-P662 HydrophobicContact CG1-CB 4.38Å; V630-P662 HydrophobicContact CG2-CB 3.79Å; P662-L677 WeakPolarHBondContact CD-O 3.39Å; P662-L677 HydrophobicContact CG-CB 4.04Å; P662-L677 PolarHBondContact O-N 3.09Å
663I96Very high88.9Confident29 Ų2966.6 Ų66.615%0.14936%0.363CS..EExtended strand (participates in β ladder)trans-116122.5171-59.3179000108F649 D650 H652 D674 P676F649-I663 CarbonylContact C-O 3.52Å; F649-I663 WeakPolarHBondContact CA-O 3.44Å; F649-I663 WeakPolarHBondContact CB-O 3.45Å; D650-I663 HydrophobicContact CB-CB 4.31Å; D650-I663 PolarHBondContact N-O 2.72Å; D650-I663 PolarHBondContact O-N 3.07Å; H652-I663 HydrophobicContact CB-CD1 3.65Å; H652-I663 HydrophobicContact CB-CG1 4.2Å; I663-D674 HydrophobicContact CG2-CB 3.79Å; I663-P676 HydrophobicContact CG1-CB 4.5Å
664V95.8Very high88.9Confident0 Ų066.5 Ų66.50%036%0.36CS..EExtended strand (participates in β ladder)trans-96.2123.1173.4-179.60000109M605 V630 L633 V634 W647 Y675 L677M605-V664 HydrophobicContact SD-CB 3.68Å; M605-V664 HydrophobicContact SD-CG1 3.77Å; M605-V664 HydrophobicContact SD-CG2 3.81Å; V630-V664 HydrophobicContact CG2-CG2 4.09Å; L633-V664 HydrophobicContact CD2-CG2 4.21Å; V634-V664 HydrophobicContact CG2-CG1 4.39Å; W647-V664 HydrophobicContact CE3-CG1 3.65Å; W647-V664 HydrophobicContact CZ3-CG1 3.91Å; V664-Y675 PolarHBondContact N-O 3.29Å; V664-Y675 PolarHBondContact O-N 3.41Å; V664-L677 HydrophobicContact CG2-CD1 3.96Å; V664-L677 HydrophobicContact CG2-CG 4.47Å
665R95Very high89.3Confident75 Ų7567.2 Ų67.228%0.28336%0.361SS..EExtended strand (participates in β ladder)trans-107.9123.4179.5177.9174.1-68.4153.49.4110.1W647 K648 D672 T673 D674W647-R665 CarbonylContact C-O 3.56Å; W647-R665 WeakPolarHBondContact CA-O 3.47Å; K648-R665 HydrophobicContact CB-CB 4.31Å; K648-R665 PolarHBondContact N-O 2.69Å; K648-R665 PolarHBondContact O-N 3.48Å; R665-D672 HydrophobicContact CG-CB 4.16Å; R665-T673 WeakPolarHBondContact CA-O 3.24Å; R665-D674 VanDerWaalsContact CB-OD1 3.29Å; R665-D674 WeakPolarHBondContact CB-OD1 3.48Å; R665-D674 WeakPolarHBondContact CD-OD1 3.39Å; R665-D674 WeakPolarHBondContact CG-OD1 3.15Å; R665-D674 IonicContact CZ-OD1 3.03Å; R665-D674 IonicContact CZ-OD2 3.34Å; R665-D674 IonicContact NE-OD1 2.69Å; R665-D674 PolarHBondContact NE-OD1 2.78Å; R665-D674 IonicContact NE-OD2 2.69Å; R665-D674 IonicContact NH2-OD1 2.65Å; R665-D674 PolarHBondContact NH2-OD1 3.48Å; R665-D674 IonicContact NH2-OD2 2.6Å; R665-D674 PolarHBondContact NH2-OD2 3.33Å
666V93.3Very high89.8Confident11 Ų1165.8 Ų65.87%0.06734%0.344CS..EExtended strand (participates in β ladder)trans-105.7132.9170.176.30000109.9W647 D672 T673 Y675W647-V666 HydrophobicContact CD2-CB 4.28Å; W647-V666 HydrophobicContact CD2-CG2 3.89Å; W647-V666 HydrophobicContact CE3-CB 3.9Å; W647-V666 HydrophobicContact CE3-CG2 4Å; W647-V666 HydrophobicContact CH2-CB 4.08Å; W647-V666 HydrophobicContact CH2-CG2 3.88Å; W647-V666 HydrophobicContact CZ2-CB 4.44Å; W647-V666 HydrophobicContact CZ2-CG2 3.76Å; W647-V666 HydrophobicContact CZ3-CB 3.8Å; W647-V666 HydrophobicContact CZ3-CG2 4.01Å; V666-D672 WeakPolarHBondContact O-CA 3.3Å; V666-T673 PolarHBondContact N-O 3.48Å; V666-T673 PolarHBondContact O-N 3.43Å; V666-Y675 HydrophobicContact CB-CE2 4.5Å; V666-Y675 HydrophobicContact CG1-CE2 3.66Å
667R92Very high90.6Very high96 Ų9656.8 Ų56.836%0.36230%0.302SS..EExtended strand (participates in β ladder)trans-105.4116.5170.4-179.7172.3-69.3-167.8-6.5109.4S645 Q646 V671 D672S645-R667 CarbonylContact C-O 3.58Å; S645-R667 VanDerWaalsContact CA-O 3.25Å; S645-R667 WeakPolarHBondContact CA-O 3.47Å; Q646-R667 HydrophobicContact CB-CB 4.34Å; Q646-R667 PolarHBondContact N-O 2.6Å; Q646-R667 PolarHBondContact O-N 3.06Å; R667-V671 WeakPolarHBondContact CA-O 3.17Å; R667-D672 WeakPolarHBondContact CB-OD1 3.07Å; R667-D672 VanDerWaalsContact CG-OD1 3.25Å; R667-D672 WeakPolarHBondContact CG-OD1 3.37Å; R667-D672 IonicContact CZ-OD1 2.72Å; R667-D672 IonicContact CZ-OD2 3.15Å; R667-D672 IonicContact NE-OD1 3.49Å; R667-D672 PolarHBondContact NE-OD1 3.01Å; R667-D672 IonicContact NE-OD2 3.82Å; R667-D672 IonicContact NH2-OD1 3.23Å; R667-D672 PolarHBondContact NH2-OD1 3.38Å; R667-D672 IonicContact NH2-OD2 3.86Å; R667-D672 PolarHBondContact NH2-OD2 3.26Å
668T86.4Confident91.2Very high52 Ų5254.6 Ų54.632%0.31929%0.293SS..EExtended strand (participates in β ladder)trans-128.4125.1175.2-52.20000108.8S645 G670 V671S645-T668 PolarHBondContact OG-OG1 3.34Å; T668-G670 PolarHBondContact O-N 2.82Å; T668-G670 VanDerWaalsContact O-N 3.09Å; T668-V671 PolarHBondContact N-O 3.35Å; T668-V671 PolarHBondContact O-N 3.35Å
669H85.1Confident91.4Very high184 Ų18450.2 Ų50.285%0.85227%0.269SS*.THydrogen-bonded Turntrans50.433.7-176.2-57.7-56.4000115.1V671H669-V671 VanDerWaalsContact C-N 3.33Å
670G83.9Confident91Very high65 Ų6553.1 Ų53.167%0.6728%0.281SS*.THydrogen-bonded Turntrans840.4178.200000115.3T668T668-G670 PolarHBondContact O-N 2.82Å; T668-G670 VanDerWaalsContact O-N 3.09Å
671V85.8Confident90.8Very high95 Ų9552 Ų5258%0.57628%0.277SS*.EExtended strand (participates in β ladder)trans-97.8126173.1-177.20000108.9R667 T668 H669R667-V671 WeakPolarHBondContact CA-O 3.17Å; T668-V671 PolarHBondContact N-O 3.35Å; T668-V671 PolarHBondContact O-N 3.35Å; H669-V671 VanDerWaalsContact C-N 3.33Å
672D90.6Very high90.7Very high60 Ų6051.7 Ų51.732%0.32128%0.275SS..EExtended strand (participates in β ladder)trans-91134.3173.4-71.9-6.8000109.4R665 V666 R667R665-D672 HydrophobicContact CG-CB 4.16Å; V666-D672 WeakPolarHBondContact O-CA 3.3Å; R667-D672 WeakPolarHBondContact CB-OD1 3.07Å; R667-D672 VanDerWaalsContact CG-OD1 3.25Å; R667-D672 WeakPolarHBondContact CG-OD1 3.37Å; R667-D672 IonicContact CZ-OD1 2.72Å; R667-D672 IonicContact CZ-OD2 3.15Å; R667-D672 IonicContact NE-OD1 3.49Å; R667-D672 PolarHBondContact NE-OD1 3.01Å; R667-D672 IonicContact NE-OD2 3.82Å; R667-D672 IonicContact NH2-OD1 3.23Å; R667-D672 PolarHBondContact NH2-OD1 3.38Å; R667-D672 IonicContact NH2-OD2 3.86Å; R667-D672 PolarHBondContact NH2-OD2 3.26Å
673T90.7Very high90.2Very high58 Ų5853.9 Ų53.936%0.35629%0.289SS..EExtended strand (participates in β ladder)trans-129.5128172.2-49.60000109.5R665 V666 Y675R665-T673 WeakPolarHBondContact CA-O 3.24Å; V666-T673 PolarHBondContact N-O 3.48Å; V666-T673 PolarHBondContact O-N 3.43Å; T673-Y675 HydrophobicContact CG2-CE1 4.14Å; T673-Y675 HydrophobicContact CG2-CE2 3.84Å; T673-Y675 WeakPolarHBondContact CG2-OH 3.27Å
674D93.1Very high89.5Confident68 Ų6853.2 Ų53.236%0.36429%0.29SS..EExtended strand (participates in β ladder)trans-99132.9-177.2-72.7-4.1000110.7I663 R665I663-D674 HydrophobicContact CG2-CB 3.79Å; R665-D674 VanDerWaalsContact CB-OD1 3.29Å; R665-D674 WeakPolarHBondContact CB-OD1 3.48Å; R665-D674 WeakPolarHBondContact CD-OD1 3.39Å; R665-D674 WeakPolarHBondContact CG-OD1 3.15Å; R665-D674 IonicContact CZ-OD1 3.03Å; R665-D674 IonicContact CZ-OD2 3.34Å; R665-D674 IonicContact NE-OD1 2.69Å; R665-D674 PolarHBondContact NE-OD1 2.78Å; R665-D674 IonicContact NE-OD2 2.69Å; R665-D674 IonicContact NH2-OD1 2.65Å; R665-D674 PolarHBondContact NH2-OD1 3.48Å; R665-D674 IonicContact NH2-OD2 2.6Å; R665-D674 PolarHBondContact NH2-OD2 3.33Å
675Y93.1Very high88.9Confident47 Ų4755.1 Ų55.118%0.18431%0.309CS..EExtended strand (participates in β ladder)trans-120.697.9178.5-61.9-77.3000108.8R600 Y601 P602 V664 V666 T673R600-Y675 VanDerWaalsContact O-CD1 3.3Å; R600-Y675 WeakPolarHBondContact O-CD1 3.35Å; R600-Y675 WeakPolarHBondContact O-CE1 3.38Å; Y601-Y675 HydrophobicContact CD1-CD1 4.13Å; Y601-Y675 HydrophobicContact CD1-CG 4.45Å; P602-Y675 HydrophobicContact CG-CD1 4.34Å; P602-Y675 HydrophobicContact CG-CD2 3.71Å; P602-Y675 HydrophobicContact CG-CE1 3.98Å; P602-Y675 HydrophobicContact CG-CE2 3.28Å; P602-Y675 HydrophobicContact CG-CG 4.21Å; P602-Y675 VanDerWaalsContact CG-CZ 3.43Å; V664-Y675 PolarHBondContact N-O 3.29Å; V664-Y675 PolarHBondContact O-N 3.41Å; V666-Y675 HydrophobicContact CB-CE2 4.5Å; V666-Y675 HydrophobicContact CG1-CE2 3.66Å; T673-Y675 HydrophobicContact CG2-CE1 4.14Å; T673-Y675 HydrophobicContact CG2-CE2 3.84Å; T673-Y675 WeakPolarHBondContact CG2-OH 3.27Å
676P92.1Very high88.5Confident58 Ų5854.1 Ų54.138%0.37731%0.308SS..EExtended strand (participates in β ladder)trans-69.8131.8176.828.3-32.7000110.4Y601 I663Y601-P676 WeakPolarHBondContact CE1-O 3.18Å; Y601-P676 PolarHBondContact OH-O 3.32Å; I663-P676 HydrophobicContact CG1-CB 4.5Å
677L93.5Very high88.5Confident0 Ų053.9 Ų53.90%031%0.306CS..  trans-104.562.3169.4-54-178.7000107.8Y601 M605 W629 L633 P662 V664 F681Y601-L677 HydrophobicContact CD1-CD2 4.41Å; Y601-L677 HydrophobicContact CE1-CD2 4.05Å; M605-L677 HydrophobicContact CE-CD2 3.84Å; M605-L677 HydrophobicContact SD-CD2 4.39Å; W629-L677 HydrophobicContact CH2-CD1 4.04Å; W629-L677 HydrophobicContact CZ3-CD1 3.9Å; L633-L677 HydrophobicContact CD2-CD1 4.47Å; P662-L677 WeakPolarHBondContact CD-O 3.39Å; P662-L677 HydrophobicContact CG-CB 4.04Å; P662-L677 PolarHBondContact O-N 3.09Å; V664-L677 HydrophobicContact CG2-CD1 3.96Å; V664-L677 HydrophobicContact CG2-CG 4.47Å; L677-F681 HydrophobicContact CB-CD1 3.98Å; L677-F681 HydrophobicContact CB-CE1 4.44Å; L677-F681 HydrophobicContact CD2-CD1 3.86Å; L677-F681 HydrophobicContact CD2-CD2 4.38Å; L677-F681 HydrophobicContact CD2-CE1 3.7Å; L677-F681 HydrophobicContact CD2-CE2 4.23Å; L677-F681 HydrophobicContact CD2-CG 4.21Å; L677-F681 HydrophobicContact CD2-CZ 3.89Å; L677-F681 HydrophobicContact CG-CD1 4.46Å; L677-F681 HydrophobicContact CG-CE1 4.49Å
678D89.7Confident88.4Confident46 Ų4656.7 Ų56.725%0.24632%0.316CS..  trans-69.1179.2-172.960.318.6000113.7E680 F681 I682D678-E680 PolarHBondContact O-N 3.15Å; D678-E680 PolarHBondContact OD1-N 2.72Å; D678-F681 PolarHBondContact O-N 2.97Å; D678-F681 VanDerWaalsContact O-N 3.13Å; D678-F681 PolarHBondContact OD1-N 3.34Å; D678-I682 WeakPolarHBondContact O-CG1 3.45Å; D678-I682 PolarHBondContact O-N 3.19Å
679H87.9Confident88.5Confident34 Ų3462.1 Ų62.116%0.15733%0.331CS..Hα-helixtrans-51.8-38.2175.9177.7-95.1000112.9E617 L620 L659 E661 I682 T683E617-H679 IonicContact OE1-CD2 3.57Å; E617-H679 IonicContact OE1-CE1 3.83Å; E617-H679 IonicContact OE1-NE2 3.68Å; E617-H679 PolarHBondContact OE1-NE2 2.87Å; L620-H679 HydrophobicContact CD1-CB 4.49Å; L659-H679 HydrophobicContact CD1-CB 4.12Å; L659-H679 VanDerWaalsContact CD1-CD2 3.46Å; L659-H679 WeakPolarHBondContact CD1-CD2 3.31Å; E661-H679 PolarHBondContact OE1-N 3.09Å; E661-H679 VanDerWaalsContact OE1-N 3.13Å; H679-I682 PolarHBondContact O-N 3.24Å; H679-T683 WeakPolarHBondContact O-CB 3.32Å; H679-T683 WeakPolarHBondContact O-CG2 3.09Å; H679-T683 PolarHBondContact O-N 3.4Å; H679-T683 PolarHBondContact O-OG1 3.08Å
680E84.5Confident88.9Confident80 Ų8053.3 Ų53.337%0.37429%0.29SS..Hα-helixtrans-69-40.6179.8178.4160.1-149.400112K208 D678 G684K208-E680 VanDerWaalsContact CD-OE1 3.25Å; K208-E680 WeakPolarHBondContact CD-OE1 3.13Å; K208-E680 IonicContact NZ-OE1 3.58Å; K208-E680 PolarHBondContact NZ-OE1 2.84Å; K208-E680 IonicContact NZ-OE2 3.24Å; K208-E680 PolarHBondContact NZ-OE2 2.83Å; D678-E680 PolarHBondContact O-N 3.15Å; D678-E680 PolarHBondContact OD1-N 2.72Å; E680-G684 WeakPolarHBondContact O-CA 3.41Å; E680-G684 PolarHBondContact O-N 3.25Å
681F88.7Confident89.3Confident15 Ų1550.5 Ų50.57%0.06626%0.26CS..Hα-helixtrans-62.4-49173.4-178.6-91.4000111.5M597 Y601 L606 L609 L677 D678 T683 G684 Y687M597-F681 HydrophobicContact CE-CE2 3.79Å; M597-F681 HydrophobicContact CE-CZ 4.46Å; Y601-F681 HydrophobicContact CD2-CE2 4.17Å; Y601-F681 HydrophobicContact CE1-CD2 4.27Å; Y601-F681 HydrophobicContact CE1-CE2 4.38Å; Y601-F681 AromaticContact CE2-CD2 3.73Å; Y601-F681 HydrophobicContact CE2-CD2 3.73Å; Y601-F681 AromaticContact CE2-CE2 3.83Å; Y601-F681 HydrophobicContact CE2-CE2 3.83Å; Y601-F681 AromaticContact CZ-CD2 3.57Å; Y601-F681 AromaticContact CZ-CE2 3.93Å; Y601-F681 WeakPolarHBondContact OH-CD2 3.41Å; L606-F681 HydrophobicContact CD2-CZ 4.44Å; L609-F681 HydrophobicContact CD1-CE1 4.15Å; L609-F681 HydrophobicContact CD1-CZ 3.82Å; L677-F681 HydrophobicContact CB-CD1 3.98Å; L677-F681 HydrophobicContact CB-CE1 4.44Å; L677-F681 HydrophobicContact CD2-CD1 3.86Å; L677-F681 HydrophobicContact CD2-CD2 4.38Å; L677-F681 HydrophobicContact CD2-CE1 3.7Å; L677-F681 HydrophobicContact CD2-CE2 4.23Å; L677-F681 HydrophobicContact CD2-CG 4.21Å; L677-F681 HydrophobicContact CD2-CZ 3.89Å; L677-F681 HydrophobicContact CG-CD1 4.46Å; L677-F681 HydrophobicContact CG-CE1 4.49Å; D678-F681 PolarHBondContact O-N 2.97Å; D678-F681 VanDerWaalsContact O-N 3.13Å; D678-F681 PolarHBondContact OD1-N 3.34Å; F681-T683 PolarHBondContact O-N 3.32Å; F681-G684 PolarHBondContact O-N 3Å; F681-G684 VanDerWaalsContact O-N 3.16Å; F681-Y687 HydrophobicContact CD1-CD2 4.12Å; F681-Y687 HydrophobicContact CD1-CG 4.25Å; F681-Y687 AromaticContact CE1-CD2 3.33Å; F681-Y687 HydrophobicContact CE1-CD2 3.33Å; F681-Y687 AromaticContact CE1-CE2 3.97Å; F681-Y687 HydrophobicContact CE1-CE2 3.97Å; F681-Y687 AromaticContact CE1-CG 3.86Å; F681-Y687 HydrophobicContact CE1-CG 3.86Å; F681-Y687 AromaticContact CZ-CD2 3.93Å; F681-Y687 HydrophobicContact CZ-CD2 3.93Å; F681-Y687 WeakPolarHBondContact O-CB 3.25Å
682I92Very high89.6Confident12 Ų1248.8 Ų48.86%0.06225%0.25CC..Hα-helixtrans-68.1-35.6-175.4-63.8-63.9000112.2L615 L620 D678 H679 G684 Y687L615-I682 HydrophobicContact CB-CD1 4.32Å; L615-I682 HydrophobicContact CD2-CD1 3.92Å; L615-I682 HydrophobicContact CG-CD1 4.46Å; L615-I682 WeakPolarHBondContact O-CG2 3.2Å; L620-I682 HydrophobicContact CD1-CB 4.22Å; L620-I682 HydrophobicContact CD1-CG1 4.38Å; L620-I682 HydrophobicContact CD1-CG2 4.16Å; L620-I682 HydrophobicContact CD2-CG1 4.35Å; D678-I682 WeakPolarHBondContact O-CG1 3.45Å; D678-I682 PolarHBondContact O-N 3.19Å; H679-I682 PolarHBondContact O-N 3.24Å; I682-G684 VanDerWaalsContact C-N 3.33Å; I682-Y687 HydrophobicContact CD1-CD1 4.26Å; I682-Y687 HydrophobicContact CD1-CE1 3.84Å; I682-Y687 HydrophobicContact CD1-CE2 4.32Å; I682-Y687 HydrophobicContact CG2-CE1 4.3Å; I682-Y687 VanDerWaalsContact O-CD1 3.31Å; I682-Y687 WeakPolarHBondContact O-CD1 3.44Å
683T85.1Confident89.7Confident46 Ų4646 Ų4628%0.28224%0.235SC..Hα-helixtrans-84.2-12.4175.259.20000113.1E617 H679 F681 R688E617-T683 HydrophobicContact CB-CG2 4.2Å; E617-T683 HydrophobicContact CG-CG2 4.2Å; H679-T683 WeakPolarHBondContact O-CB 3.32Å; H679-T683 WeakPolarHBondContact O-CG2 3.09Å; H679-T683 PolarHBondContact O-N 3.4Å; H679-T683 PolarHBondContact O-OG1 3.08Å; F681-T683 PolarHBondContact O-N 3.32Å; T683-R688 PolarHBondContact O-NH2 2.96Å; T683-R688 VanDerWaalsContact O-NH2 3.16Å
684G82.2Confident89.8Confident16 Ų1643.3 Ų43.317%0.16522%0.218CC..SBendtrans-63.6150.8-17600000115E680 F681 I682 E686 R688E680-G684 WeakPolarHBondContact O-CA 3.41Å; E680-G684 PolarHBondContact O-N 3.25Å; F681-G684 PolarHBondContact O-N 3Å; F681-G684 VanDerWaalsContact O-N 3.16Å; I682-G684 VanDerWaalsContact C-N 3.33Å; G684-E686 VanDerWaalsContact C-N 3.31Å; G684-E686 PolarHBondContact O-N 3.38Å; G684-R688 PolarHBondContact O-N 2.87Å
685G83.4Confident89.8Confident40 Ų4045.6 Ų45.641%0.41223%0.227SC..Hα-helixtrans-66.1-29.7-179.400000114R689G685-R689 WeakPolarHBondContact O-CG 3.3Å; G685-R689 PolarHBondContact O-N 3.23Å
686E86.3Confident89.6Confident53 Ų5347.3 Ų47.325%0.24824%0.235CC..Hα-helixtrans-69.7-49.9178.9-62.6-174.3132.600111.4M593 M597 R600 G684 R688 R689 I690M593-E686 HydrophobicContact CE-CB 4.21Å; M593-E686 VanDerWaalsContact CE-O 3.24Å; M593-E686 WeakPolarHBondContact CE-O 3.28Å; M593-E686 HydrophobicContact CG-CB 4.46Å; M593-E686 HydrophobicContact CG-CG 4.22Å; M593-E686 HydrophobicContact SD-CB 3.82Å; M593-E686 HydrophobicContact SD-CG 3.95Å; M597-E686 HydrophobicContact CE-CB 3.9Å; M597-E686 WeakPolarHBondContact CE-OE2 3.5Å; M597-E686 WeakPolarHBondContact CG-OE1 3.44Å; M597-E686 WeakPolarHBondContact CG-OE2 3.28Å; M597-E686 HydrophobicContact SD-CB 3.76Å; M597-E686 HydrophobicContact SD-CG 4.24Å; R600-E686 IonicContact NH2-OE1 3.48Å; R600-E686 IonicContact NH2-OE2 3.38Å; R600-E686 PolarHBondContact NH2-OE2 3.14Å; G684-E686 VanDerWaalsContact C-N 3.31Å; G684-E686 PolarHBondContact O-N 3.38Å; E686-R688 VanDerWaalsContact C-N 3.33Å; E686-R688 PolarHBondContact O-N 3.36Å; E686-R689 WeakPolarHBondContact O-CB 3.39Å; E686-R689 PolarHBondContact O-N 3.3Å; E686-R689 VanDerWaalsContact O-N 3.14Å; E686-I690 WeakPolarHBondContact O-CG1 3.46Å; E686-I690 PolarHBondContact O-N 2.96Å; E686-I690 VanDerWaalsContact O-N 3.08Å
687Y91.8Very high89.6Confident6 Ų645.1 Ų45.12%0.02422%0.22CC..Hα-helixtrans-59-44.5176.2-179.4-110.9000111.5L609 L615 F681 I682 R689 I690 C691L609-Y687 HydrophobicContact CD1-CD2 4.44Å; L609-Y687 HydrophobicContact CD1-CE2 4.46Å; L615-Y687 WeakPolarHBondContact CB-OH 3.43Å; L615-Y687 PolarHBondContact N-OH 2.94Å; L615-Y687 WeakPolarHBondContact O-CE1 3.37Å; F681-Y687 HydrophobicContact CD1-CD2 4.12Å; F681-Y687 HydrophobicContact CD1-CG 4.25Å; F681-Y687 AromaticContact CE1-CD2 3.33Å; F681-Y687 HydrophobicContact CE1-CD2 3.33Å; F681-Y687 AromaticContact CE1-CE2 3.97Å; F681-Y687 HydrophobicContact CE1-CE2 3.97Å; F681-Y687 AromaticContact CE1-CG 3.86Å; F681-Y687 HydrophobicContact CE1-CG 3.86Å; F681-Y687 AromaticContact CZ-CD2 3.93Å; F681-Y687 HydrophobicContact CZ-CD2 3.93Å; F681-Y687 WeakPolarHBondContact O-CB 3.25Å; I682-Y687 HydrophobicContact CD1-CD1 4.26Å; I682-Y687 HydrophobicContact CD1-CE1 3.84Å; I682-Y687 HydrophobicContact CD1-CE2 4.32Å; I682-Y687 HydrophobicContact CG2-CE1 4.3Å; I682-Y687 VanDerWaalsContact O-CD1 3.31Å; I682-Y687 WeakPolarHBondContact O-CD1 3.44Å; Y687-R689 VanDerWaalsContact C-N 3.29Å; Y687-R689 PolarHBondContact O-N 3.26Å; Y687-I690 WeakPolarHBondContact O-CB 3.43Å; Y687-I690 PolarHBondContact O-N 3.11Å; Y687-C691 WeakPolarHBondContact CE1-SG 3.45Å; Y687-C691 PolarHBondContact O-N 3.34Å; Y687-C691 PolarHBondContact O-SG 3.17Å; Y687-C691 VanDerWaalsContact O-SG 3.37Å
688R90.4Very high89.3Confident156 Ų15648.7 Ų48.759%0.58923%0.234SC*.Hα-helixtrans-55.1-42.7175.4-167.3-178.1-55159.17.9112.6T683 G684 E686 C691 T692T683-R688 PolarHBondContact O-NH2 2.96Å; T683-R688 VanDerWaalsContact O-NH2 3.16Å; G684-R688 PolarHBondContact O-N 2.87Å; E686-R688 VanDerWaalsContact C-N 3.33Å; E686-R688 PolarHBondContact O-N 3.36Å; R688-C691 PolarHBondContact O-N 3.44Å; R688-T692 PolarHBondContact O-N 2.88Å; R688-T692 PolarHBondContact O-OG1 3.46Å
689R88.5Confident89Confident165 Ų16549.9 Ų49.962%0.62326%0.257SS*.Hα-helixtrans-65.8-39.9176.9-73.9175.4-173.5-119.35.5112.3M593 G685 E686 Y687 L693M593-R689 HydrophobicContact CE-CB 4.07Å; M593-R689 HydrophobicContact SD-CB 4.06Å; G685-R689 WeakPolarHBondContact O-CG 3.3Å; G685-R689 PolarHBondContact O-N 3.23Å; E686-R689 WeakPolarHBondContact O-CB 3.39Å; E686-R689 PolarHBondContact O-N 3.3Å; E686-R689 VanDerWaalsContact O-N 3.14Å; Y687-R689 VanDerWaalsContact C-N 3.29Å; Y687-R689 PolarHBondContact O-N 3.26Å; R689-L693 PolarHBondContact O-N 3.03Å; R689-L693 VanDerWaalsContact O-N 3.09Å
690I93.6Very high88.9Confident0 Ų049.8 Ų49.80%026%0.258CS..Hα-helixtrans-58.9-49.3173.1-64.4176000109.7T590 M593 I594 M597 L606 L609 I610 E686 Y687 L693 G694T590-I690 HydrophobicContact CG2-CG1 4.19Å; M593-I690 HydrophobicContact CE-CD1 4.06Å; M593-I690 HydrophobicContact CE-CG1 3.46Å; M593-I690 VanDerWaalsContact CE-CG1 3.46Å; I594-I690 HydrophobicContact CG1-CD1 4.47Å; M597-I690 HydrophobicContact SD-CD1 4.39Å; L606-I690 HydrophobicContact CD2-CD1 4.37Å; L609-I690 HydrophobicContact CB-CG2 3.72Å; I610-I690 HydrophobicContact CG1-CG2 3.9Å; E686-I690 WeakPolarHBondContact O-CG1 3.46Å; E686-I690 PolarHBondContact O-N 2.96Å; E686-I690 VanDerWaalsContact O-N 3.08Å; Y687-I690 WeakPolarHBondContact O-CB 3.43Å; Y687-I690 PolarHBondContact O-N 3.11Å; I690-L693 PolarHBondContact O-N 2.95Å; I690-G694 PolarHBondContact O-N 2.98Å
691C93.4Very high89Confident5 Ų547.9 Ų47.93%0.03425%0.249CC..Hα-helixtrans-61.7-46.3179.7-68.90000112.9T614 Y687 R688 L693 G694 E695T614-C691 HydrophobicContact CG2-CB 4.04Å; T614-C691 WeakPolarHBondContact OG1-CB 3.15Å; Y687-C691 WeakPolarHBondContact CE1-SG 3.45Å; Y687-C691 PolarHBondContact O-N 3.34Å; Y687-C691 PolarHBondContact O-SG 3.17Å; Y687-C691 VanDerWaalsContact O-SG 3.37Å; R688-C691 PolarHBondContact O-N 3.44Å; C691-L693 VanDerWaalsContact C-N 3.32Å; C691-L693 PolarHBondContact O-N 3.32Å; C691-G694 CarbonylContact O-C 3.59Å; C691-G694 WeakPolarHBondContact O-CA 3.29Å; C691-G694 PolarHBondContact O-N 2.99Å; C691-G694 VanDerWaalsContact O-N 3.1Å; C691-E695 WeakPolarHBondContact O-CG 3.38Å; C691-E695 PolarHBondContact O-N 3.34Å
692T92Very high88.8Confident60 Ų6052.5 Ų52.537%0.36827%0.271SS..Hα-helixtrans-61.7-38.1177.8-60.60000112.4R688R688-T692 PolarHBondContact O-N 2.88Å; R688-T692 PolarHBondContact O-OG1 3.46Å
693L92.9Very high88.1Confident2 Ų260.4 Ų60.41%0.0131%0.308CS..Hα-helixtrans-67-44.6172.2177.264.7000110.6L583 E586 Y587 T590 I610 R689 I690 C691 E695 K696 L697L583-L693 HydrophobicContact CD1-CD1 4.37Å; E586-L693 HydrophobicContact CB-CD1 4.26Å; Y587-L693 HydrophobicContact CD2-CD2 4.04Å; T590-L693 HydrophobicContact CG2-CD2 3.65Å; I610-L693 HydrophobicContact CD1-CD2 4.23Å; I610-L693 HydrophobicContact CG2-CD2 4.4Å; I610-L693 HydrophobicContact CG2-CG 4.37Å; R689-L693 PolarHBondContact O-N 3.03Å; R689-L693 VanDerWaalsContact O-N 3.09Å; I690-L693 PolarHBondContact O-N 2.95Å; C691-L693 VanDerWaalsContact C-N 3.32Å; C691-L693 PolarHBondContact O-N 3.32Å; L693-E695 VanDerWaalsContact C-N 3.32Å; L693-E695 PolarHBondContact O-N 2.98Å; L693-K696 PolarHBondContact O-N 3.5Å; L693-L697 HydrophobicContact CD1-CD1 3.85Å; L693-L697 HydrophobicContact CD1-CG 4.11Å; L693-L697 HydrophobicContact CD2-CD1 4.25Å; L693-L697 HydrophobicContact CG-CD1 3.8Å; L693-L697 HydrophobicContact CG-CG 4.33Å; L693-L697 PolarHBondContact O-N 2.86Å; L693-L697 VanDerWaalsContact O-N 3.13Å
694G92.5Very high88.2Confident0 Ų064 Ų640%033%0.325CS..Hα-helixtrans-57.5-42178.200000113.4I610 I690 C691 K696 L697 R698I610-G694 WeakPolarHBondContact O-CA 2.94Å; I690-G694 PolarHBondContact O-N 2.98Å; C691-G694 CarbonylContact O-C 3.59Å; C691-G694 WeakPolarHBondContact O-CA 3.29Å; C691-G694 PolarHBondContact O-N 2.99Å; C691-G694 VanDerWaalsContact O-N 3.1Å; G694-K696 PolarHBondContact O-N 3.21Å; G694-K696 VanDerWaalsContact O-N 3.16Å; G694-L697 PolarHBondContact O-N 3.05Å; G694-L697 VanDerWaalsContact O-N 3.13Å; G694-R698 VanDerWaalsContact C-CZ 3.41Å; G694-R698 VanDerWaalsContact CA-NH1 3.34Å; G694-R698 WeakPolarHBondContact O-CB 3.35Å; G694-R698 VanDerWaalsContact O-CG 3.24Å; G694-R698 WeakPolarHBondContact O-CG 3.46Å; G694-R698 PolarHBondContact O-N 3.48Å
695E91.6Very high88.6Confident116 Ų11663.3 Ų63.354%0.54232%0.318SS..Hα-helixtrans-56.7-29.9175.2-74.7168-174.100113.1C691 L693C691-E695 WeakPolarHBondContact O-CG 3.38Å; C691-E695 PolarHBondContact O-N 3.34Å; L693-E695 VanDerWaalsContact C-N 3.32Å; L693-E695 PolarHBondContact O-N 2.98Å
696K90.3Very high89Confident83 Ų8363.3 Ų63.336%0.36131%0.307SS..Hα-helixtrans-87.5-27.9178.9-63.7175.6-175.1173.10113.3L583 E586 L693 G694L583-K696 HydrophobicContact CD1-CB 4Å; L583-K696 HydrophobicContact CD1-CD 4.38Å; E586-K696 IonicContact OE1-NZ 3.34Å; E586-K696 PolarHBondContact OE1-NZ 3.35Å; E586-K696 VanDerWaalsContact OE2-CD 3.29Å; E586-K696 WeakPolarHBondContact OE2-CD 3.2Å; E586-K696 WeakPolarHBondContact OE2-CE 3.37Å; E586-K696 IonicContact OE2-NZ 2.67Å; E586-K696 PolarHBondContact OE2-NZ 3.4Å; L693-K696 PolarHBondContact O-N 3.5Å; G694-K696 PolarHBondContact O-N 3.21Å; G694-K696 VanDerWaalsContact O-N 3.16Å
697L90.8Very high89.4Confident12 Ų1260.8 Ų60.86%0.06330%0.295CS..Hα-helixtrans-95.1-31.6-175.8-67-178.1000113.4L583 Y587 I610 L693 G694 G699 L700 F719L583-L697 HydrophobicContact CD1-CD2 3.89Å; L583-L697 HydrophobicContact CD2-CD2 4.11Å; L583-L697 HydrophobicContact CG-CD2 4.25Å; Y587-L697 HydrophobicContact CD2-CD1 3.91Å; Y587-L697 HydrophobicContact CE2-CD1 4.34Å; I610-L697 HydrophobicContact CG2-CD1 3.97Å; L693-L697 HydrophobicContact CD1-CD1 3.85Å; L693-L697 HydrophobicContact CD1-CG 4.11Å; L693-L697 HydrophobicContact CD2-CD1 4.25Å; L693-L697 HydrophobicContact CG-CD1 3.8Å; L693-L697 HydrophobicContact CG-CG 4.33Å; L693-L697 PolarHBondContact O-N 2.86Å; L693-L697 VanDerWaalsContact O-N 3.13Å; G694-L697 PolarHBondContact O-N 3.05Å; G694-L697 VanDerWaalsContact O-N 3.13Å; L697-G699 PolarHBondContact O-N 2.94Å; L697-L700 HydrophobicContact CD2-CD2 3.87Å; L697-L700 VanDerWaalsContact O-CB 3.27Å; L697-L700 WeakPolarHBondContact O-CB 3.49Å; L697-L700 PolarHBondContact O-N 2.99Å; L697-F719 HydrophobicContact CD2-CB 3.97Å; L697-F719 HydrophobicContact CD2-CD1 4.03Å; L697-F719 HydrophobicContact CD2-CD2 4.04Å; L697-F719 HydrophobicContact CD2-CG 3.75Å
698R87.4Confident89.3Confident76 Ų7663.7 Ų63.729%0.28731%0.309SS..THydrogen-bonded Turntrans-63.6117.7179.9-73.9-174.6-55.3-99.16.1109.9I610 Y611 Q612 G694 L700I610-R698 PolarHBondContact O-NH1 3.01Å; Y611-R698 WeakPolarHBondContact O-CD 3.46Å; Q612-R698 PolarHBondContact O-NH1 3.08Å; G694-R698 VanDerWaalsContact C-CZ 3.41Å; G694-R698 VanDerWaalsContact CA-NH1 3.34Å; G694-R698 WeakPolarHBondContact O-CB 3.35Å; G694-R698 VanDerWaalsContact O-CG 3.24Å; G694-R698 WeakPolarHBondContact O-CG 3.46Å; G694-R698 PolarHBondContact O-N 3.48Å; R698-L700 VanDerWaalsContact C-N 3.25Å; R698-L700 PolarHBondContact O-N 3.4Å
699G83Confident89.2Confident71 Ų7158 Ų5873%0.73229%0.287SS*.THydrogen-bonded Turntrans74.69.8-17700000114.6L697L697-G699 PolarHBondContact O-N 2.94Å
700L86.2Confident89Confident32 Ų3252.7 Ų52.717%0.16828%0.284CS..THydrogen-bonded Turntrans-69.7-39.7178.5-178.766.1000112.4T568 L575 L583 L697 R698T568-L700 WeakPolarHBondContact CB-O 3.11Å; T568-L700 HydrophobicContact CG2-CD1 3.77Å; T568-L700 HydrophobicContact CG2-CG 4.13Å; T568-L700 WeakPolarHBondContact CG2-O 3.23Å; L575-L700 HydrophobicContact CD1-CD1 4.29Å; L583-L700 HydrophobicContact CD2-CD2 3.62Å; L697-L700 HydrophobicContact CD2-CD2 3.87Å; L697-L700 VanDerWaalsContact O-CB 3.27Å; L697-L700 WeakPolarHBondContact O-CB 3.49Å; L697-L700 PolarHBondContact O-N 2.99Å; R698-L700 VanDerWaalsContact C-N 3.25Å; R698-L700 PolarHBondContact O-N 3.4Å
701L86.3Confident88.5Confident39 Ų3962.3 Ų62.320%0.20433%0.329CS..SBendtrans-104.8121.5-178.6-57178.2000108.9L566 A705 V716L566-L701 HydrophobicContact CD1-CD2 4.02Å; L566-L701 HydrophobicContact CD2-CD2 4.23Å; L566-L701 HydrophobicContact CG-CD2 4.31Å; L701-A705 HydrophobicContact CB-CB 3.95Å; L701-A705 HydrophobicContact CD2-CB 3.95Å; L701-A705 HydrophobicContact CG-CB 4.45Å; L701-V716 HydrophobicContact CD1-CG2 4.44Å
702E85.1Confident88.3Confident113 Ų11367.3 Ų67.353%0.52835%0.347SS..  trans-98.2-179.5175.1-60.9175.4-173.700110.5T568 N569 D704 A705T568-E702 PolarHBondContact O-N 3.17Å; N569-E702 HydrophobicContact CB-CB 4.16Å; N569-E702 PolarHBondContact ND2-OE2 3.39Å; E702-D704 PolarHBondContact O-N 3.28Å; E702-A705 WeakPolarHBondContact O-CB 3.39Å; E702-A705 PolarHBondContact O-N 3Å
703E78Confident88.3Confident177 Ų17773.3 Ų73.383%0.82736%0.363SS*.THydrogen-bonded Turntrans-57.4135.9169.2-157.1170.1-174.900109.3
704D86.8Confident88.3Confident121 Ų12176.6 Ų76.665%0.64738%0.379SS*.THydrogen-bonded Turntrans7216.2-173.1-52.6-39000117.5E702E702-D704 PolarHBondContact O-N 3.28Å
705A90.8Very high88.3Confident2 Ų280.8 Ų80.82%0.01741%0.406CS..  trans-59.6140.8170.200000112.6H567 T568 L701 E702 P715 V716H567-A705 VanDerWaalsContact O-CA 3.32Å; H567-A705 WeakPolarHBondContact O-CA 3.26Å; H567-A705 WeakPolarHBondContact O-CB 3.45Å; T568-A705 WeakPolarHBondContact O-CB 3.25Å; L701-A705 HydrophobicContact CB-CB 3.95Å; L701-A705 HydrophobicContact CD2-CB 3.95Å; L701-A705 HydrophobicContact CG-CB 4.45Å; E702-A705 WeakPolarHBondContact O-CB 3.39Å; E702-A705 PolarHBondContact O-N 3Å; A705-P715 WeakPolarHBondContact O-CA 3.43Å; A705-V716 HydrophobicContact CB-CG2 4.36Å; A705-V716 PolarHBondContact O-N 3.07Å
706F92.3Very high88.3Confident40 Ų4075.7 Ų75.718%0.17538%0.383CS..EExtended strand (participates in β ladder)trans-145.2152.9178.567.6-88000112.5H567 E708 R713 Q714H567-F706 HydrophobicContact CB-CD1 3.77Å; H567-F706 HydrophobicContact CB-CD2 4.16Å; H567-F706 HydrophobicContact CB-CE1 3.46Å; H567-F706 VanDerWaalsContact CB-CE1 3.46Å; H567-F706 HydrophobicContact CB-CE2 3.89Å; H567-F706 HydrophobicContact CB-CG 4.11Å; H567-F706 HydrophobicContact CB-CZ 3.53Å; H567-F706 AromaticContact CD2-CD2 3.93Å; H567-F706 AromaticContact CD2-CE2 3.24Å; H567-F706 WeakPolarHBondContact CD2-CE2 3.48Å; H567-F706 AromaticContact CD2-CZ 3.48Å; H567-F706 VanDerWaalsContact CD2-CZ 3.48Å; H567-F706 WeakPolarHBondContact CD2-CZ 3.42Å; H567-F706 AromaticContact CE1-CZ 3.93Å; H567-F706 AromaticContact CG-CE1 3.74Å; H567-F706 AromaticContact CG-CE2 3.52Å; H567-F706 AromaticContact CG-CZ 3.24Å; H567-F706 PolarHBondContact N-O 3.48Å; H567-F706 AromaticContact ND1-CZ 3.58Å; H567-F706 AromaticContact NE2-CE2 3.8Å; H567-F706 AromaticContact NE2-CZ 3.94Å; H567-F706 PolarHBondContact O-N 3.45Å; F706-E708 HydrophobicContact CD2-CB 4.33Å; F706-E708 HydrophobicContact CE2-CB 4.26Å; F706-R713 HydrophobicContact CD2-CB 4.32Å; F706-Q714 CarbonylContact C-O 3.4Å; F706-Q714 VanDerWaalsContact CA-O 3.29Å; F706-Q714 WeakPolarHBondContact CA-O 3.44Å; F706-Q714 WeakPolarHBondContact CB-O 3.47Å
707I93Very high88.1Confident1 Ų176 Ų761%0.00540%0.401CS..EExtended strand (participates in β ladder)trans-106.5138.2170.7-171.273.8000109.2T565 L566 R713 Q714 V716 A722 W725 L726T565-I707 WeakPolarHBondContact O-CD1 3.48Å; L566-I707 HydrophobicContact CB-CD1 3.77Å; L566-I707 HydrophobicContact CD1-CB 4.33Å; L566-I707 HydrophobicContact CD1-CD1 3.9Å; L566-I707 HydrophobicContact CG-CD1 4.44Å; I707-R713 CarbonylContact O-C 3.53Å; I707-R713 VanDerWaalsContact O-CA 3.29Å; I707-R713 WeakPolarHBondContact O-CA 3.17Å; I707-Q714 HydrophobicContact CG2-CB 3.97Å; I707-Q714 PolarHBondContact N-O 3.32Å; I707-Q714 PolarHBondContact O-N 2.78Å; I707-V716 HydrophobicContact CB-CG1 4.29Å; I707-V716 HydrophobicContact CG2-CG1 3.67Å; I707-A722 HydrophobicContact CB-CB 4.24Å; I707-A722 HydrophobicContact CG1-CB 4.49Å; I707-A722 HydrophobicContact CG2-CB 4.48Å; I707-W725 HydrophobicContact CB-CE3 4.44Å; I707-W725 HydrophobicContact CG1-CE3 4.17Å; I707-W725 HydrophobicContact CG1-CZ3 4.25Å; I707-W725 HydrophobicContact CG2-CD2 3.95Å; I707-W725 HydrophobicContact CG2-CE3 3.43Å; I707-W725 VanDerWaalsContact CG2-CE3 3.43Å; I707-W725 HydrophobicContact CG2-CG 4.42Å; I707-W725 HydrophobicContact CG2-CZ3 3.91Å; I707-L726 HydrophobicContact CD1-CD1 3.8Å; I707-L726 HydrophobicContact CD1-CD2 4.14Å; I707-L726 HydrophobicContact CD1-CG 4.14Å; I707-L726 HydrophobicContact CG1-CD1 3.99Å; I707-L726 HydrophobicContact CG1-CD2 3.67Å; I707-L726 HydrophobicContact CG1-CG 3.74Å
708E90.8Very high88Confident66 Ų6677.3 Ų77.331%0.30841%0.411SS..EExtended strand (participates in β ladder)trans-128.1143179.2175.4174.3164.700110.5A564 T565 F706 R712 R713A564-E708 CarbonylContact C-O 3.59Å; A564-E708 VanDerWaalsContact CA-O 3.28Å; A564-E708 WeakPolarHBondContact CA-O 3.23Å; T565-E708 PolarHBondContact N-O 3.38Å; T565-E708 PolarHBondContact O-N 3.48Å; T565-E708 WeakPolarHBondContact OG1-CB 2.92Å; F706-E708 HydrophobicContact CD2-CB 4.33Å; F706-E708 HydrophobicContact CE2-CB 4.26Å; E708-R712 CarbonylContact C-O 3.58Å; E708-R712 VanDerWaalsContact CA-O 3.29Å; E708-R712 WeakPolarHBondContact CA-O 3.04Å; E708-R713 HydrophobicContact CB-CB 4.31Å
709R88.4Confident88.1Confident36 Ų3674 Ų7414%0.13640%0.399CS..EExtended strand (participates in β ladder)trans-145.7111.7172.4-177.1166.9175.7-112.89.4109.7I559 A560 D562 G563 E711 R712 W725 L726 E729I559-R709 PolarHBondContact O-NH2 3.33Å; A560-R709 WeakPolarHBondContact O-CD 3.1Å; D562-R709 PolarHBondContact O-NE 3.24Å; D562-R709 VanDerWaalsContact O-NE 3.11Å; G563-R709 WeakPolarHBondContact O-CA 3.5Å; R709-E711 PolarHBondContact O-N 3.46Å; R709-R712 PolarHBondContact N-O 3.49Å; R709-R712 PolarHBondContact O-N 3.04Å; R709-W725 HydrophobicContact CB-CH2 4.21Å; R709-W725 HydrophobicContact CB-CZ3 4Å; R709-L726 HydrophobicContact CB-CD2 4.21Å; R709-E729 PolarHBondContact NH1-O 3.38Å; R709-E729 VanDerWaalsContact NH1-O 3.12Å
710G84Confident88.3Confident54 Ų5473.9 Ų73.956%0.55738%0.379SS*.THydrogen-bonded Turntrans59-131.2-168.600000110.8R712G710-R712 VanDerWaalsContact C-N 3.27Å; G710-R712 PolarHBondContact O-N 3.01Å
711E83.4Confident88.5Confident202 Ų20276.2 Ų76.294%0.94439%0.389SS*.THydrogen-bonded Turntrans-83.42-179.2-60.4179.5173.500114.1R709R709-E711 PolarHBondContact O-N 3.46Å
712R89.7Confident88.7Confident110 Ų11074.4 Ų74.442%0.41538%0.38SS..EExtended strand (participates in β ladder)trans-106.2134.3-174.7-66.8-174.3177.5167.27.9110.9E708 R709 G710 W725 E729E708-R712 CarbonylContact C-O 3.58Å; E708-R712 VanDerWaalsContact CA-O 3.29Å; E708-R712 WeakPolarHBondContact CA-O 3.04Å; R709-R712 PolarHBondContact N-O 3.49Å; R709-R712 PolarHBondContact O-N 3.04Å; G710-R712 VanDerWaalsContact C-N 3.27Å; G710-R712 PolarHBondContact O-N 3.01Å; R712-W725 HydrophobicContact CB-CH2 4.04Å; R712-W725 HydrophobicContact CB-CZ2 4.04Å; R712-W725 WeakPolarHBondContact O-CH2 3.25Å; R712-E729 WeakPolarHBondContact CD-OE1 3.45Å; R712-E729 IonicContact CZ-OE1 2.74Å; R712-E729 IonicContact CZ-OE2 3.81Å; R712-E729 IonicContact NE-OE1 2.75Å; R712-E729 IonicContact NH1-OE1 3.82Å; R712-E729 PolarHBondContact NH1-OE1 3.27Å; R712-E729 IonicContact NH1-OE2 3.77Å; R712-E729 PolarHBondContact NH1-OE2 3.48Å
713R91.4Very high88.8Confident186 Ų18669.9 Ų69.970%0.70236%0.359SS*.EExtended strand (participates in β ladder)trans-129.7150.2177.967.4-178.1-174.51762.7111.8F706 I707 E708F706-R713 HydrophobicContact CD2-CB 4.32Å; I707-R713 CarbonylContact O-C 3.53Å; I707-R713 VanDerWaalsContact O-CA 3.29Å; I707-R713 WeakPolarHBondContact O-CA 3.17Å; E708-R713 HydrophobicContact CB-CB 4.31Å
714Q92.4Very high89.2Confident71 Ų7165.5 Ų65.533%0.33234%0.342SS..EExtended strand (participates in β ladder)trans-141.4124.3178.2176.764.647.600110.1F706 I707 V716 W725F706-Q714 CarbonylContact C-O 3.4Å; F706-Q714 VanDerWaalsContact CA-O 3.29Å; F706-Q714 WeakPolarHBondContact CA-O 3.44Å; F706-Q714 WeakPolarHBondContact CB-O 3.47Å; I707-Q714 HydrophobicContact CG2-CB 3.97Å; I707-Q714 PolarHBondContact N-O 3.32Å; I707-Q714 PolarHBondContact O-N 2.78Å; Q714-V716 HydrophobicContact CG-CG1 4.43Å; Q714-W725 HydrophobicContact CB-CD2 3.83Å; Q714-W725 HydrophobicContact CB-CG 3.97Å; Q714-W725 HydrophobicContact CB-CZ2 4.03Å; Q714-W725 HydrophobicContact CG-CD2 4.35Å; Q714-W725 HydrophobicContact CG-CG 3.94Å
715P92.9Very high89.4Confident88 Ų8861.7 Ų61.757%0.57132%0.318SS*.EExtended strand (participates in β ladder)trans-61.3137.3167.7-21.933.4000111A705A705-P715 WeakPolarHBondContact O-CA 3.43Å
716V91.2Very high89.3Confident10 Ų1061.7 Ų61.76%0.06132%0.318CS..  trans-133137.9-176.8-66.20000111L566 L701 A705 I707 Q714 Q721 A722L566-V716 HydrophobicContact CD1-CG2 4.28Å; L701-V716 HydrophobicContact CD1-CG2 4.44Å; A705-V716 HydrophobicContact CB-CG2 4.36Å; A705-V716 PolarHBondContact O-N 3.07Å; I707-V716 HydrophobicContact CB-CG1 4.29Å; I707-V716 HydrophobicContact CG2-CG1 3.67Å; Q714-V716 HydrophobicContact CG-CG1 4.43Å; V716-Q721 HydrophobicContact CG1-CG 4.32Å; V716-A722 HydrophobicContact CB-CB 4.32Å; V716-A722 HydrophobicContact CG1-CB 3.99Å; V716-A722 HydrophobicContact CG2-CB 4.24Å
717A87Confident88.9Confident90 Ų9061.4 Ų61.474%0.74432%0.319SS*.SBendtrans-101.7-14.7176.100000112.7
718S88.1Confident88.5Confident38 Ų3868.4 Ų68.427%0.26635%0.349SS..SBendtrans-145.2158.3178.775.90000111.6E720 Q721 A722S718-E720 VanDerWaalsContact C-N 3.28Å; S718-E720 PolarHBondContact O-N 3.46Å; S718-Q721 PolarHBondContact O-N 2.81Å; S718-Q721 PolarHBondContact OG-N 3.3Å; S718-Q721 VanDerWaalsContact OG-N 3.14Å; S718-A722 PolarHBondContact O-N 3.41Å; S718-A722 VanDerWaalsContact O-N 3.15Å
719F89.3Confident88.3Confident7 Ų766.4 Ų66.43%0.03134%0.34CS..Hα-helixtrans-65.7-33.5176.2-166.5-105.8000112.1L566 L580 L583 V584 Y587 L697 Q721 A722 L723L566-F719 HydrophobicContact CD2-CD2 3.94Å; L566-F719 HydrophobicContact CD2-CE2 3.77Å; L580-F719 HydrophobicContact CD1-CE2 4.36Å; L583-F719 HydrophobicContact CB-CZ 4.24Å; L583-F719 HydrophobicContact CD2-CD2 4.18Å; L583-F719 HydrophobicContact CD2-CE2 3.44Å; L583-F719 VanDerWaalsContact CD2-CE2 3.44Å; L583-F719 HydrophobicContact CD2-CZ 3.66Å; L583-F719 HydrophobicContact CG-CE1 4.2Å; L583-F719 HydrophobicContact CG-CE2 3.91Å; L583-F719 HydrophobicContact CG-CZ 3.56Å; V584-F719 HydrophobicContact CG2-CE1 4.21Å; V584-F719 HydrophobicContact CG2-CZ 3.64Å; Y587-F719 HydrophobicContact CD1-CD1 4.4Å; Y587-F719 HydrophobicContact CD1-CE1 4.43Å; Y587-F719 AromaticContact CD2-CD1 3.69Å; Y587-F719 HydrophobicContact CD2-CD1 3.69Å; Y587-F719 HydrophobicContact CD2-CE1 4.14Å; Y587-F719 HydrophobicContact CE2-CD1 4.16Å; Y587-F719 AromaticContact CG-CD1 3.82Å; Y587-F719 HydrophobicContact CG-CD1 3.82Å; Y587-F719 AromaticContact CG-CE1 3.84Å; Y587-F719 HydrophobicContact CG-CE1 3.84Å; L697-F719 HydrophobicContact CD2-CB 3.97Å; L697-F719 HydrophobicContact CD2-CD1 4.03Å; L697-F719 HydrophobicContact CD2-CD2 4.04Å; L697-F719 HydrophobicContact CD2-CG 3.75Å; F719-Q721 VanDerWaalsContact C-N 3.35Å; F719-Q721 PolarHBondContact O-N 3.19Å; F719-A722 WeakPolarHBondContact O-CB 3.35Å; F719-A722 PolarHBondContact O-N 2.98Å; F719-L723 HydrophobicContact CD1-CD1 3.91Å; F719-L723 HydrophobicContact CD1-CG 4.32Å; F719-L723 HydrophobicContact CE1-CD1 3.63Å; F719-L723 HydrophobicContact CE1-CG 4.04Å; F719-L723 HydrophobicContact CZ-CD1 4.47Å; F719-L723 HydrophobicContact CZ-CG 4.49Å; F719-L723 PolarHBondContact O-N 3.43Å
720E87.9Confident88Confident69 Ų6964.8 Ų64.832%0.32233%0.334SS..Hα-helixtrans-59.7-44.7173.2-168.5169-154.100111Y587 K607 S718 A722 L723 D724Y587-E720 WeakPolarHBondContact OH-CB 3.18Å; Y587-E720 WeakPolarHBondContact OH-CG 3.18Å; K607-E720 IonicContact NZ-OE1 4Å; K607-E720 PolarHBondContact NZ-OE1 3.03Å; S718-E720 VanDerWaalsContact C-N 3.28Å; S718-E720 PolarHBondContact O-N 3.46Å; E720-A722 VanDerWaalsContact C-N 3.34Å; E720-A722 PolarHBondContact O-N 2.91Å; E720-L723 PolarHBondContact O-N 3.33Å; E720-D724 WeakPolarHBondContact O-CB 3.48Å; E720-D724 PolarHBondContact O-N 3.3Å
721Q89.4Confident87.8Confident80 Ų8068.3 Ų68.337%0.37433%0.331SS..Hα-helixtrans-64.2-38.8177.6-170.4-176.311.500112.2V716 S718 F719 W725V716-Q721 HydrophobicContact CG1-CG 4.32Å; S718-Q721 PolarHBondContact O-N 2.81Å; S718-Q721 PolarHBondContact OG-N 3.3Å; S718-Q721 VanDerWaalsContact OG-N 3.14Å; F719-Q721 VanDerWaalsContact C-N 3.35Å; F719-Q721 PolarHBondContact O-N 3.19Å; Q721-W725 WeakPolarHBondContact O-CB 3.41Å; Q721-W725 PolarHBondContact O-N 3.45Å; Q721-W725 VanDerWaalsContact O-N 3.12Å
722A90.6Very high87.6Confident2 Ų266.7 Ų66.72%0.01732%0.316CS..Hα-helixtrans-61.9-46.6175.600000111.5L566 I707 V716 S718 F719 E720 W725 L726L566-A722 HydrophobicContact CD1-CB 4.28Å; I707-A722 HydrophobicContact CB-CB 4.24Å; I707-A722 HydrophobicContact CG1-CB 4.49Å; I707-A722 HydrophobicContact CG2-CB 4.48Å; V716-A722 HydrophobicContact CB-CB 4.32Å; V716-A722 HydrophobicContact CG1-CB 3.99Å; V716-A722 HydrophobicContact CG2-CB 4.24Å; S718-A722 PolarHBondContact O-N 3.41Å; S718-A722 VanDerWaalsContact O-N 3.15Å; F719-A722 WeakPolarHBondContact O-CB 3.35Å; F719-A722 PolarHBondContact O-N 2.98Å; E720-A722 VanDerWaalsContact C-N 3.34Å; E720-A722 PolarHBondContact O-N 2.91Å; A722-W725 PolarHBondContact O-N 2.99Å; A722-L726 WeakPolarHBondContact O-CG 3.36Å; A722-L726 PolarHBondContact O-N 3.5Å
723L88Confident87Confident17 Ų1764.8 Ų64.89%0.08933%0.331CS..Hα-helixtrans-64-47178-79.9-179.1000113.2V584 Y587 F719 E720 W725 L726 V727V584-L723 HydrophobicContact CB-CD2 4.16Å; V584-L723 HydrophobicContact CG1-CD2 3.65Å; V584-L723 HydrophobicContact CG2-CD2 3.44Å; V584-L723 VanDerWaalsContact CG2-CD2 3.44Å; V584-L723 HydrophobicContact CG2-CG 4.37Å; Y587-L723 HydrophobicContact CD1-CD1 3.26Å; Y587-L723 HydrophobicContact CE1-CD1 3.62Å; Y587-L723 HydrophobicContact CG-CD1 3.97Å; F719-L723 HydrophobicContact CD1-CD1 3.91Å; F719-L723 HydrophobicContact CD1-CG 4.32Å; F719-L723 HydrophobicContact CE1-CD1 3.63Å; F719-L723 HydrophobicContact CE1-CG 4.04Å; F719-L723 HydrophobicContact CZ-CD1 4.47Å; F719-L723 HydrophobicContact CZ-CG 4.49Å; F719-L723 PolarHBondContact O-N 3.43Å; E720-L723 PolarHBondContact O-N 3.33Å; L723-W725 PolarHBondContact O-N 2.9Å; L723-L726 PolarHBondContact O-N 3.46Å; L723-L726 VanDerWaalsContact O-N 3.15Å; L723-V727 WeakPolarHBondContact O-CG2 3.48Å; L723-V727 PolarHBondContact O-N 3.31Å
724D86.7Confident86.6Confident86 Ų8657.2 Ų57.246%0.4630%0.304SS..Hα-helixtrans-57.7-39.6177.9-86.3-4.6000111.9E720 K728E720-D724 WeakPolarHBondContact O-CB 3.48Å; E720-D724 PolarHBondContact O-N 3.3Å; D724-K728 WeakPolarHBondContact O-CB 3.49Å; D724-K728 WeakPolarHBondContact O-CD 3.04Å; D724-K728 VanDerWaalsContact O-CG 3.25Å; D724-K728 WeakPolarHBondContact O-CG 3.35Å; D724-K728 PolarHBondContact O-N 3.49Å; D724-K728 VanDerWaalsContact O-N 3.11Å
725W90.1Very high86.3Confident41 Ų4157.6 Ų57.616%0.15532%0.315CS..Hα-helixtrans-68-46.2176.2-176.188.2000111.7I707 R709 R712 Q714 Q721 A722 L723 V727 K728 E729I707-W725 HydrophobicContact CB-CE3 4.44Å; I707-W725 HydrophobicContact CG1-CE3 4.17Å; I707-W725 HydrophobicContact CG1-CZ3 4.25Å; I707-W725 HydrophobicContact CG2-CD2 3.95Å; I707-W725 HydrophobicContact CG2-CE3 3.43Å; I707-W725 VanDerWaalsContact CG2-CE3 3.43Å; I707-W725 HydrophobicContact CG2-CG 4.42Å; I707-W725 HydrophobicContact CG2-CZ3 3.91Å; R709-W725 HydrophobicContact CB-CH2 4.21Å; R709-W725 HydrophobicContact CB-CZ3 4Å; R712-W725 HydrophobicContact CB-CH2 4.04Å; R712-W725 HydrophobicContact CB-CZ2 4.04Å; R712-W725 WeakPolarHBondContact O-CH2 3.25Å; Q714-W725 HydrophobicContact CB-CD2 3.83Å; Q714-W725 HydrophobicContact CB-CG 3.97Å; Q714-W725 HydrophobicContact CB-CZ2 4.03Å; Q714-W725 HydrophobicContact CG-CD2 4.35Å; Q714-W725 HydrophobicContact CG-CG 3.94Å; Q721-W725 WeakPolarHBondContact O-CB 3.41Å; Q721-W725 PolarHBondContact O-N 3.45Å; Q721-W725 VanDerWaalsContact O-N 3.12Å; A722-W725 PolarHBondContact O-N 2.99Å; L723-W725 PolarHBondContact O-N 2.9Å; W725-V727 PolarHBondContact O-N 2.86Å; W725-K728 PolarHBondContact O-N 3.1Å; W725-E729 HydrophobicContact CH2-CG 4.28Å; W725-E729 HydrophobicContact CZ2-CG 4.41Å; W725-E729 WeakPolarHBondContact O-CB 3.39Å; W725-E729 PolarHBondContact O-N 3.34Å
726L88.3Confident86Confident2 Ų256.9 Ų56.91%0.0131%0.306CS..Hα-helixtrans-59-44.4177.8-73.1174.1000111.9A560 L561 A564 I707 R709 A722 L723 E729 S730A560-L726 HydrophobicContact CB-CB 4Å; L561-L726 HydrophobicContact CD2-CD1 4.44Å; A564-L726 HydrophobicContact CB-CD1 4.27Å; A564-L726 HydrophobicContact CB-CD2 3.66Å; I707-L726 HydrophobicContact CD1-CD1 3.8Å; I707-L726 HydrophobicContact CD1-CD2 4.14Å; I707-L726 HydrophobicContact CD1-CG 4.14Å; I707-L726 HydrophobicContact CG1-CD1 3.99Å; I707-L726 HydrophobicContact CG1-CD2 3.67Å; I707-L726 HydrophobicContact CG1-CG 3.74Å; R709-L726 HydrophobicContact CB-CD2 4.21Å; A722-L726 WeakPolarHBondContact O-CG 3.36Å; A722-L726 PolarHBondContact O-N 3.5Å; L723-L726 PolarHBondContact O-N 3.46Å; L723-L726 VanDerWaalsContact O-N 3.15Å; L726-E729 PolarHBondContact O-N 3.15Å; L726-S730 VanDerWaalsContact O-CB 3.26Å; L726-S730 WeakPolarHBondContact O-CB 3.29Å; L726-S730 PolarHBondContact O-N 3.29Å
727V83.7Confident85.8Confident33 Ų3360.6 Ų60.620%0.232%0.322CS..Hα-helixtrans-65-40.5177.6173.70000111.6A560 L723 W725 S730 R731A560-V727 HydrophobicContact CB-CG2 4.42Å; L723-V727 WeakPolarHBondContact O-CG2 3.48Å; L723-V727 PolarHBondContact O-N 3.31Å; W725-V727 PolarHBondContact O-N 2.86Å; V727-S730 PolarHBondContact O-N 3.04Å; V727-S730 PolarHBondContact O-OG 3.38Å; V727-R731 WeakPolarHBondContact O-CG 3.49Å; V727-R731 PolarHBondContact O-N 2.93Å
728K85.6Confident85.8Confident148 Ų14863.3 Ų63.364%0.64331%0.313SS*.Hα-helixtrans-64.8-41.4176-76169.7-174.7165.90111.9D724 W725D724-K728 WeakPolarHBondContact O-CB 3.49Å; D724-K728 WeakPolarHBondContact O-CD 3.04Å; D724-K728 VanDerWaalsContact O-CG 3.25Å; D724-K728 WeakPolarHBondContact O-CG 3.35Å; D724-K728 PolarHBondContact O-N 3.49Å; D724-K728 VanDerWaalsContact O-N 3.11Å; W725-K728 PolarHBondContact O-N 3.1Å
729E86.7Confident85.6Confident25 Ų2562 Ų6212%0.11730%0.302CS..Hα-helixtrans-73.1-31.8179.1-17155.2-141.300111.7R709 R712 W725 L726 R731 R732R709-E729 PolarHBondContact NH1-O 3.38Å; R709-E729 VanDerWaalsContact NH1-O 3.12Å; R712-E729 WeakPolarHBondContact CD-OE1 3.45Å; R712-E729 IonicContact CZ-OE1 2.74Å; R712-E729 IonicContact CZ-OE2 3.81Å; R712-E729 IonicContact NE-OE1 2.75Å; R712-E729 IonicContact NH1-OE1 3.82Å; R712-E729 PolarHBondContact NH1-OE1 3.27Å; R712-E729 IonicContact NH1-OE2 3.77Å; R712-E729 PolarHBondContact NH1-OE2 3.48Å; W725-E729 HydrophobicContact CH2-CG 4.28Å; W725-E729 HydrophobicContact CZ2-CG 4.41Å; W725-E729 WeakPolarHBondContact O-CB 3.39Å; W725-E729 PolarHBondContact O-N 3.34Å; L726-E729 PolarHBondContact O-N 3.15Å; E729-R731 VanDerWaalsContact C-N 3.3Å; E729-R731 PolarHBondContact O-N 3.49Å; E729-R732 PolarHBondContact O-N 2.81Å; E729-R732 IonicContact OE2-CZ 3.74Å; E729-R732 IonicContact OE2-NE 2.76Å
730S81.5Confident85Confident2 Ų269.4 Ų69.41%0.01433%0.334CS..Hα-helixtrans-64.5-32.617785.60000113.5A560 L726 V727 R732 L734A560-S730 VanDerWaalsContact CA-CB 3.46Å; L726-S730 VanDerWaalsContact O-CB 3.26Å; L726-S730 WeakPolarHBondContact O-CB 3.29Å; L726-S730 PolarHBondContact O-N 3.29Å; V727-S730 PolarHBondContact O-N 3.04Å; V727-S730 PolarHBondContact O-OG 3.38Å; S730-R732 VanDerWaalsContact C-N 3.27Å; S730-R732 PolarHBondContact O-N 3.48Å; S730-L734 WeakPolarHBondContact O-CD1 3.28Å
731R80.5Confident84.5Confident127 Ų12766.7 Ų66.748%0.47933%0.325SS..THydrogen-bonded Turntrans-70.5-15.8178-70.3176.4-179.9-169.83.3114.2V727 E729 G733 L734V727-R731 WeakPolarHBondContact O-CG 3.49Å; V727-R731 PolarHBondContact O-N 2.93Å; E729-R731 VanDerWaalsContact C-N 3.3Å; E729-R731 PolarHBondContact O-N 3.49Å; R731-G733 PolarHBondContact O-N 3.12Å; R731-L734 PolarHBondContact O-N 3.27Å
732R78.5Confident84.2Confident168 Ų16863 Ų6363%0.63431%0.308SS*.THydrogen-bonded Turntrans-68.6118178.9-68.5-172.7177-157.5-1.6110.6E729 S730E729-R732 PolarHBondContact O-N 2.81Å; E729-R732 IonicContact OE2-CZ 3.74Å; E729-R732 IonicContact OE2-NE 2.76Å; S730-R732 VanDerWaalsContact C-N 3.27Å; S730-R732 PolarHBondContact O-N 3.48Å
733G76.6Confident83.5Confident71 Ų7165 Ų6573%0.73233%0.329SS*.THydrogen-bonded Turntrans89.50.117900000115.3R731R731-G733 PolarHBondContact O-N 3.12Å
734L83.4Confident83.3Confident26 Ų2668.5 Ų68.514%0.13635%0.345CS..EExtended strand (participates in β ladder)trans-86.3129.3170.8-71170000110.2V537 K539 I559 S730 R731V537-L734 HydrophobicContact CG1-CB 4.32Å; V537-L734 HydrophobicContact CG1-CD2 3.65Å; V537-L734 HydrophobicContact CG1-CG 4.43Å; K539-L734 HydrophobicContact CB-CD2 3.79Å; K539-L734 HydrophobicContact CD-CD2 4.32Å; K539-L734 HydrophobicContact CG-CD2 4.14Å; I559-L734 HydrophobicContact CD1-CD1 3.93Å; I559-L734 HydrophobicContact CD1-CD2 3.96Å; I559-L734 HydrophobicContact CG2-CD1 4.34Å; S730-L734 WeakPolarHBondContact O-CD1 3.28Å; R731-L734 PolarHBondContact O-N 3.27Å
735S85.3Confident83.2Confident79 Ų7964.7 Ų64.755%0.55232%0.324SS*.EExtended strand (participates in β ladder)trans-98.2119.9165.7178.70000108.4V537 K538V537-S735 CarbonylContact C-O 3.55Å; V537-S735 WeakPolarHBondContact CA-O 3.33Å; K538-S735 PolarHBondContact N-O 3.12Å; K538-S735 PolarHBondContact O-N 3.45Å
736I87.2Confident83.2Confident74 Ų7466.2 Ų66.238%0.37934%0.335SS..EExtended strand (participates in β ladder)trans-113.5117.1-178.6-57.3163.9000107.5Y535 V537 M552Y535-I736 HydrophobicContact CD1-CG2 3.91Å; V537-I736 HydrophobicContact CG1-CG1 4.13Å; V537-I736 HydrophobicContact CG2-CG1 4.18Å; V537-I736 HydrophobicContact CG2-CG2 4.38Å; M552-I736 HydrophobicContact CE-CD1 3.42Å; M552-I736 VanDerWaalsContact CE-CD1 3.42Å; M552-I736 HydrophobicContact CE-CG1 3.84Å; M552-I736 HydrophobicContact CE-CG2 3.92Å
737Q87.8Confident83.4Confident87 Ų8767.1 Ų67.141%0.40734%0.341SS..EExtended strand (participates in β ladder)trans-104.4128.5170.8178.8179.11.200108.4Y535 K536Y535-Q737 CarbonylContact C-O 3.56Å; Y535-Q737 VanDerWaalsContact CA-O 3.28Å; Y535-Q737 WeakPolarHBondContact CA-O 3.43Å; K536-Q737 HydrophobicContact CB-CB 4.39Å; K536-Q737 PolarHBondContact N-O 2.95Å; K536-Q737 PolarHBondContact O-N 3.42Å
738R86.4Confident83.8Confident147 Ų14771 Ų7156%0.55536%0.357SS*.EExtended strand (participates in β ladder)trans-99.4126.7172.2-174.2177.7-179.2177.10.5108.7L534 Y535L534-R738 HydrophobicContact CD1-CG 4.24Å; L534-R738 HydrophobicContact CG-CG 4.42Å; L534-R738 WeakPolarHBondContact O-CA 3.3Å; Y535-R738 HydrophobicContact CD1-CB 3.86Å; Y535-R738 HydrophobicContact CD1-CG 3.99Å; Y535-R738 HydrophobicContact CE1-CB 3.83Å; Y535-R738 HydrophobicContact CE1-CG 3.66Å
739Y84.3Confident84Confident11 Ų1165 Ų654%0.04333%0.332CS..  trans-81.6138.9175.9-68.2-70.8000110.4P533 L534 K536 Y545 E744 M745 Q749P533-Y739 WeakPolarHBondContact O-CD2 3.03Å; L534-Y739 PolarHBondContact O-N 2.94Å; K536-Y739 HydrophobicContact CB-CE2 3.73Å; K536-Y739 WeakPolarHBondContact CD-OH 3.39Å; Y545-Y739 HydrophobicContact CD1-CE2 4.29Å; Y545-Y739 HydrophobicContact CE1-CE2 4.36Å; Y739-E744 HydrophobicContact CD1-CB 4.11Å; Y739-M745 HydrophobicContact CD1-CE 4.45Å; Y739-M745 HydrophobicContact CD1-CG 3.96Å; Y739-M745 HydrophobicContact CD2-CE 3.86Å; Y739-M745 HydrophobicContact CE1-CE 4.21Å; Y739-M745 HydrophobicContact CE1-CG 3.78Å; Y739-M745 HydrophobicContact CE2-CE 3.58Å; Y739-M745 HydrophobicContact CG-CE 4.28Å; Y739-Q749 PolarHBondContact OH-NE2 3.41Å
740K75.8Confident84.2Confident162 Ų16263.9 Ų63.970%0.70433%0.327SS*.  trans-101-30.3172.7-65.7-174.4177.1-173.10113.4E744K740-E744 PolarHBondContact N-OE2 3.14Å
741G78.2Confident84.8Confident13 Ų1367 Ų6713%0.13434%0.338CS..SBendtrans-157.4165-179.800000111.9G743 E744G741-G743 PolarHBondContact O-N 3.12Å; G741-E744 PolarHBondContact O-N 3.03Å
742L82.5Confident85.2Confident2 Ų265.8 Ų65.81%0.0134%0.338CS..G310 helixtrans-63.9-26.6-178.2-63.4165.7000112A428 M496 D498 P532 E744 M745 L750A428-L742 HydrophobicContact CB-CB 4.02Å; M496-L742 HydrophobicContact CG-CD1 3.63Å; M496-L742 HydrophobicContact CG-CD2 4.3Å; D498-L742 WeakPolarHBondContact OD1-CB 3.47Å; D498-L742 WeakPolarHBondContact OD1-CD1 3.43Å; D498-L742 WeakPolarHBondContact OD1-CG 3.48Å; D498-L742 PolarHBondContact OD1-N 3.01Å; P532-L742 HydrophobicContact CB-CD2 3.74Å; P532-L742 HydrophobicContact CG-CD2 3.88Å; L742-E744 PolarHBondContact O-N 2.84Å; L742-M745 WeakPolarHBondContact O-CB 3.37Å; L742-M745 PolarHBondContact O-N 3.35Å; L742-M745 VanDerWaalsContact O-N 3.14Å; L742-L750 HydrophobicContact CD2-CD1 3.89Å
743G77.2Confident85.6Confident44 Ų4458.5 Ų58.545%0.45431%0.312SS..G310 helixtrans-65.8-16.4177.200000114.8G741 M745G741-G743 PolarHBondContact O-N 3.12Å; G743-M745 VanDerWaalsContact C-N 3.31Å
744E82.2Confident86.2Confident91 Ų9155.1 Ų55.143%0.42528%0.277SS..G310 helixtrans-82.7-10.2175.2-63.1-177.7167.800112.8Y739 K740 G741 L742Y739-E744 HydrophobicContact CD1-CB 4.11Å; K740-E744 PolarHBondContact N-OE2 3.14Å; G741-E744 PolarHBondContact O-N 3.03Å; L742-E744 PolarHBondContact O-N 2.84Å
745M86.4Confident86.7Confident5 Ų553.9 Ų53.93%0.02527%0.271CS..SBendtrans-93.6131.2178.3-59.4-175124.800110.4P533 Y739 L742 G743 Q749 L750 T753P533-M745 HydrophobicContact CG-CE 3.48Å; P533-M745 VanDerWaalsContact CG-CE 3.48Å; Y739-M745 HydrophobicContact CD1-CE 4.45Å; Y739-M745 HydrophobicContact CD1-CG 3.96Å; Y739-M745 HydrophobicContact CD2-CE 3.86Å; Y739-M745 HydrophobicContact CE1-CE 4.21Å; Y739-M745 HydrophobicContact CE1-CG 3.78Å; Y739-M745 HydrophobicContact CE2-CE 3.58Å; Y739-M745 HydrophobicContact CG-CE 4.28Å; L742-M745 WeakPolarHBondContact O-CB 3.37Å; L742-M745 PolarHBondContact O-N 3.35Å; L742-M745 VanDerWaalsContact O-N 3.14Å; G743-M745 VanDerWaalsContact C-N 3.31Å; M745-Q749 HydrophobicContact CB-CB 4.05Å; M745-L750 HydrophobicContact CB-CB 4.48Å; M745-L750 HydrophobicContact SD-CD1 4.23Å; M745-T753 HydrophobicContact CE-CG2 4.31Å
746N90Very high87.1Confident73 Ų7351.5 Ų51.539%0.3925%0.252SS..  trans-70.8165.2168.873.78.8000110.7E748 Q749 L750N746-E748 VanDerWaalsContact C-N 3.25Å; N746-E748 PolarHBondContact O-N 3.15Å; N746-E748 PolarHBondContact OD1-N 3.36Å; N746-Q749 PolarHBondContact O-N 2.75Å; N746-Q749 WeakPolarHBondContact OD1-CB 3.47Å; N746-Q749 WeakPolarHBondContact OD1-CG 3.21Å; N746-Q749 PolarHBondContact OD1-N 3.5Å; N746-Q749 PolarHBondContact OD1-OE1 2.76Å; N746-L750 PolarHBondContact O-N 2.91Å
747P92Very high87.3Confident21 Ų2151.1 Ų51.114%0.13625%0.254CS..Hα-helixtrans-54.8-37.9-177.9-28.737.2000114.2Q434 L750 W751Q434-P747 HydrophobicContact CB-CB 3.84Å; Q434-P747 HydrophobicContact CB-CG 3.78Å; P747-L750 PolarHBondContact O-N 3.13Å; P747-W751 PolarHBondContact O-N 3.45Å
748E91.4Very high87.5Confident114 Ų11456 Ų5653%0.53328%0.277SS..Hα-helixtrans-68.1-44.5179.3-62.376.3-165.200111.8N746 L750 W751 E752N746-E748 VanDerWaalsContact C-N 3.25Å; N746-E748 PolarHBondContact O-N 3.15Å; N746-E748 PolarHBondContact OD1-N 3.36Å; E748-L750 VanDerWaalsContact C-N 3.32Å; E748-L750 PolarHBondContact O-N 3.16Å; E748-W751 WeakPolarHBondContact O-CB 3.33Å; E748-W751 PolarHBondContact O-N 3.42Å; E748-E752 WeakPolarHBondContact O-CB 3.41Å; E748-E752 VanDerWaalsContact O-CG 3.32Å; E748-E752 WeakPolarHBondContact O-CG 3.48Å; E748-E752 PolarHBondContact O-N 2.86Å
749Q90.3Very high87.4Confident24 Ų2451.7 Ų51.711%0.11227%0.269CS..Hα-helixtrans-60.3-43.3175-75.4170.9-3700111.3Y545 Y739 M745 N746 W751 E752 T753Y545-Q749 WeakPolarHBondContact OH-CG 3.47Å; Y739-Q749 PolarHBondContact OH-NE2 3.41Å; M745-Q749 HydrophobicContact CB-CB 4.05Å; N746-Q749 PolarHBondContact O-N 2.75Å; N746-Q749 WeakPolarHBondContact OD1-CB 3.47Å; N746-Q749 WeakPolarHBondContact OD1-CG 3.21Å; N746-Q749 PolarHBondContact OD1-N 3.5Å; N746-Q749 PolarHBondContact OD1-OE1 2.76Å; Q749-W751 VanDerWaalsContact C-N 3.34Å; Q749-E752 PolarHBondContact O-N 2.91Å; Q749-T753 VanDerWaalsContact O-CB 3.31Å; Q749-T753 WeakPolarHBondContact O-CB 3.42Å; Q749-T753 WeakPolarHBondContact O-CG2 3.44Å; Q749-T753 PolarHBondContact O-N 3.35Å; Q749-T753 VanDerWaalsContact O-N 3.14Å; Q749-T753 PolarHBondContact O-OG1 2.77Å
750L91Very high87.7Confident1 Ų153.3 Ų53.31%0.00528%0.275CS..Hα-helixtrans-66-39.8-179.6-169.765.7000111.2A432 M496 L742 M745 N746 P747 E748 T754 M755A432-L750 HydrophobicContact CB-CD2 3.92Å; M496-L750 HydrophobicContact CE-CD1 4.46Å; M496-L750 HydrophobicContact CE-CD2 4.14Å; M496-L750 HydrophobicContact SD-CD1 4.24Å; L742-L750 HydrophobicContact CD2-CD1 3.89Å; M745-L750 HydrophobicContact CB-CB 4.48Å; M745-L750 HydrophobicContact SD-CD1 4.23Å; N746-L750 PolarHBondContact O-N 2.91Å; P747-L750 PolarHBondContact O-N 3.13Å; E748-L750 VanDerWaalsContact C-N 3.32Å; E748-L750 PolarHBondContact O-N 3.16Å; L750-T754 PolarHBondContact O-N 2.88Å; L750-M755 HydrophobicContact CD2-SD 3.93Å; L750-M755 HydrophobicContact CG-CG 4.19Å; L750-M755 HydrophobicContact CG-SD 3.86Å; L750-M755 PolarHBondContact O-N 3.19Å; L750-M755 VanDerWaalsContact O-N 3.14Å
751W93.2Very high88.2Confident68 Ų6852.9 Ų52.926%0.25827%0.269SS..Iπ-helixtrans-58.6-60.6171.7172.9-97.9000111.6N437 P747 E748 Q749 T753 M755 D756N437-W751 HydrophobicContact CB-CH2 3.7Å; N437-W751 HydrophobicContact CB-CZ3 3.63Å; P747-W751 PolarHBondContact O-N 3.45Å; E748-W751 WeakPolarHBondContact O-CB 3.33Å; E748-W751 PolarHBondContact O-N 3.42Å; Q749-W751 VanDerWaalsContact C-N 3.34Å; W751-T753 PolarHBondContact O-N 3.35Å; W751-T753 VanDerWaalsContact O-N 3.07Å; W751-M755 HydrophobicContact CE3-CB 4.04Å; W751-M755 HydrophobicContact CZ3-CB 4.49Å; W751-M755 PolarHBondContact O-N 3.41Å; W751-D756 HydrophobicContact CD2-CB 4.07Å; W751-D756 HydrophobicContact CH2-CB 4.22Å; W751-D756 HydrophobicContact CZ2-CB 3.74Å; W751-D756 PolarHBondContact NE1-OD2 3.39Å; W751-D756 VanDerWaalsContact O-CB 3.28Å; W751-D756 WeakPolarHBondContact O-CB 3.44Å; W751-D756 PolarHBondContact O-N 2.91Å
752E89.3Confident88.8Confident100 Ų10054.6 Ų54.647%0.46727%0.274SS..Iπ-helixtrans-59-26-173.5-73.6174.4-179.800113.7E748 Q749 S759E748-E752 WeakPolarHBondContact O-CB 3.41Å; E748-E752 VanDerWaalsContact O-CG 3.32Å; E748-E752 WeakPolarHBondContact O-CG 3.48Å; E748-E752 PolarHBondContact O-N 2.86Å; Q749-E752 PolarHBondContact O-N 2.91Å; E752-S759 WeakPolarHBondContact O-CB 3.07Å; E752-S759 PolarHBondContact O-OG 3.13Å
753T87.2Confident89.2Confident15 Ų1558.6 Ų58.69%0.09230%0.295CS..Iπ-helixtrans-108.4-36.7-170.862.80000114.2P533 Y545 M745 Q749 W751P533-T753 HydrophobicContact CG-CG2 3.8Å; Y545-T753 HydrophobicContact CD1-CG2 3.61Å; Y545-T753 HydrophobicContact CD2-CG2 3.42Å; Y545-T753 VanDerWaalsContact CD2-CG2 3.42Å; Y545-T753 HydrophobicContact CE1-CG2 3.84Å; Y545-T753 HydrophobicContact CE2-CG2 3.67Å; Y545-T753 HydrophobicContact CG-CG2 3.4Å; Y545-T753 VanDerWaalsContact CG-CG2 3.4Å; M745-T753 HydrophobicContact CE-CG2 4.31Å; Q749-T753 VanDerWaalsContact O-CB 3.31Å; Q749-T753 WeakPolarHBondContact O-CB 3.42Å; Q749-T753 WeakPolarHBondContact O-CG2 3.44Å; Q749-T753 PolarHBondContact O-N 3.35Å; Q749-T753 VanDerWaalsContact O-N 3.14Å; Q749-T753 PolarHBondContact O-OG1 2.77Å; W751-T753 PolarHBondContact O-N 3.35Å; W751-T753 VanDerWaalsContact O-N 3.07Å
754T89.6Confident90Very high0 Ų063.2 Ų63.20%030%0.299CS..Iπ-helixtrans-127.6-24.9-163.2-50.40000112.8M496 A530 P532 L750 R760M496-T754 HydrophobicContact CG-CG2 4.39Å; M496-T754 HydrophobicContact SD-CG2 3.8Å; A530-T754 HydrophobicContact CB-CG2 3.76Å; P532-T754 WeakPolarHBondContact CA-OG1 3.47Å; P532-T754 HydrophobicContact CB-CG2 4.34Å; L750-T754 PolarHBondContact O-N 2.88Å; T754-R760 WeakPolarHBondContact O-CB 3.21Å
755M93.2Very high90.6Very high0 Ų060.1 Ų60.10%029%0.287CS..Iπ-helixtrans-109-30.1-173.5-53.8-17867.900114.5Y421 A432 R436 Q441 I443 M496 L750 W751 P757 R760Y421-M755 HydrophobicContact CD1-CE 4.4Å; Y421-M755 HydrophobicContact CD2-CE 4.34Å; Y421-M755 HydrophobicContact CE1-CB 4.47Å; Y421-M755 HydrophobicContact CE1-CE 4.31Å; Y421-M755 HydrophobicContact CE1-CG 4.04Å; Y421-M755 HydrophobicContact CE2-CE 4.27Å; Y421-M755 HydrophobicContact CG-CE 4.4Å; Y421-M755 WeakPolarHBondContact OH-CA 3.28Å; Y421-M755 PolarHBondContact OH-O 3.35Å; A432-M755 HydrophobicContact CB-CE 4.34Å; A432-M755 HydrophobicContact CB-SD 4.24Å; R436-M755 HydrophobicContact CB-CE 3.57Å; Q441-M755 PolarHBondContact NE2-O 2.84Å; I443-M755 HydrophobicContact CD1-CE 3.78Å; M496-M755 HydrophobicContact SD-CG 4.48Å; L750-M755 HydrophobicContact CD2-SD 3.93Å; L750-M755 HydrophobicContact CG-CG 4.19Å; L750-M755 HydrophobicContact CG-SD 3.86Å; L750-M755 PolarHBondContact O-N 3.19Å; L750-M755 VanDerWaalsContact O-N 3.14Å; W751-M755 HydrophobicContact CE3-CB 4.04Å; W751-M755 HydrophobicContact CZ3-CB 4.49Å; W751-M755 PolarHBondContact O-N 3.41Å; M755-P757 WeakPolarHBondContact O-CD 3.23Å; M755-R760 WeakPolarHBondContact O-CD 3.3Å; M755-R760 PolarHBondContact O-NH1 3.38Å; M755-R760 VanDerWaalsContact O-NH1 3.07Å
756D94.2Very high90.7Very high30 Ų3063.8 Ų63.816%0.1631%0.309CS..  trans-69.8117.2-178.6-173-9000111.8W751 E758 S759 R760W751-D756 HydrophobicContact CD2-CB 4.07Å; W751-D756 HydrophobicContact CH2-CB 4.22Å; W751-D756 HydrophobicContact CZ2-CB 3.74Å; W751-D756 PolarHBondContact NE1-OD2 3.39Å; W751-D756 VanDerWaalsContact O-CB 3.28Å; W751-D756 WeakPolarHBondContact O-CB 3.44Å; W751-D756 PolarHBondContact O-N 2.91Å; D756-E758 PolarHBondContact O-N 2.82Å; D756-E758 PolarHBondContact OD1-N 3.12Å; D756-E758 VanDerWaalsContact OD1-N 3.1Å; D756-S759 PolarHBondContact O-N 2.7Å; D756-S759 VanDerWaalsContact O-N 3.15Å; D756-R760 WeakPolarHBondContact O-CB 3Å; D756-R760 VanDerWaalsContact O-CD 3.3Å; D756-R760 WeakPolarHBondContact O-CD 2.91Å; D756-R760 WeakPolarHBondContact O-CG 3.34Å; D756-R760 PolarHBondContact O-N 3.02Å
757P92.4Very high90.4Very high66 Ų6662.8 Ų62.843%0.42931%0.305SS..THydrogen-bonded Turntrans-53.8-25.4178.9-25.234.1000115.3M755M755-P757 WeakPolarHBondContact O-CD 3.23Å
758E90.1Very high89.6Confident188 Ų18867.2 Ų67.288%0.87932%0.323SS*.THydrogen-bonded Turntrans-78.2-27-178.5-63.3-171.3173.400113.3D756D756-E758 PolarHBondContact O-N 2.82Å; D756-E758 PolarHBondContact OD1-N 3.12Å; D756-E758 VanDerWaalsContact OD1-N 3.1Å
759S85.7Confident88.8Confident57 Ų5762.9 Ų62.940%0.39930%0.303SS..THydrogen-bonded Turntrans-117.4-24.9-175.467.50000114.2E752 D756E752-S759 WeakPolarHBondContact O-CB 3.07Å; E752-S759 PolarHBondContact O-OG 3.13Å; D756-S759 PolarHBondContact O-N 2.7Å; D756-S759 VanDerWaalsContact O-N 3.15Å
760R90.2Very high88.3Confident45 Ų4563.7 Ų63.717%0.1731%0.314CS..  trans-67153.8-172.573.9-164.9-171.3-173.6-4.3112.1E419 Y421 T754 M755 D756 M762E419-R760 VanDerWaalsContact CD-NH1 3.29Å; E419-R760 IonicContact OE1-CZ 3.23Å; E419-R760 IonicContact OE1-NH1 3.42Å; E419-R760 PolarHBondContact OE1-NH1 3.06Å; E419-R760 VanDerWaalsContact OE1-NH1 3.14Å; E419-R760 IonicContact OE1-NH2 2.77Å; E419-R760 PolarHBondContact OE1-NH2 3.35Å; E419-R760 IonicContact OE2-CZ 2.92Å; E419-R760 IonicContact OE2-NH1 3.51Å; E419-R760 PolarHBondContact OE2-NH1 3.26Å; E419-R760 IonicContact OE2-NH2 3.82Å; Y421-R760 PolarHBondContact OH-NH1 3.42Å; T754-R760 WeakPolarHBondContact O-CB 3.21Å; M755-R760 WeakPolarHBondContact O-CD 3.3Å; M755-R760 PolarHBondContact O-NH1 3.38Å; M755-R760 VanDerWaalsContact O-NH1 3.07Å; D756-R760 WeakPolarHBondContact O-CB 3Å; D756-R760 VanDerWaalsContact O-CD 3.3Å; D756-R760 WeakPolarHBondContact O-CD 2.91Å; D756-R760 WeakPolarHBondContact O-CG 3.34Å; D756-R760 PolarHBondContact O-N 3.02Å; R760-M762 VanDerWaalsContact CD-CE 3.42Å; R760-M762 HydrophobicContact CG-CE 4.12Å; R760-M762 VanDerWaalsContact NE-CE 3.27Å
761R85.8Confident87.7Confident154 Ų15464 Ų6458%0.58132%0.315SS*.  trans-119.3141.7170.3-63.1178.4-177.7-177.4-0.5109.3Q531Q531-R761 HydrophobicContact CB-CB 4.34Å; Q531-R761 PolarHBondContact N-O 2.84Å
762M90.6Very high87.1Confident48 Ų4862.7 Ų62.724%0.23632%0.32CS..EExtended strand (participates in β ladder)trans-138.3146.7-179.5-68.1-177.2175.500110.6I494 Y528 I529 R760I494-M762 HydrophobicContact CB-CE 4.45Å; I494-M762 HydrophobicContact CD1-CE 3.5Å; I494-M762 HydrophobicContact CD1-SD 4.1Å; I494-M762 HydrophobicContact CG1-CE 3.78Å; I494-M762 HydrophobicContact CG1-SD 3.92Å; I494-M762 HydrophobicContact CG2-CE 3.83Å; I494-M762 HydrophobicContact CG2-SD 4.45Å; Y528-M762 HydrophobicContact CD1-CB 4.3Å; Y528-M762 HydrophobicContact CD1-SD 4.49Å; Y528-M762 HydrophobicContact CG-SD 4.34Å; I529-M762 WeakPolarHBondContact O-CA 3.1Å; R760-M762 VanDerWaalsContact CD-CE 3.42Å; R760-M762 HydrophobicContact CG-CE 4.12Å; R760-M762 VanDerWaalsContact NE-CE 3.27Å
763L92Very high87Confident86 Ų8658.8 Ų58.845%0.4530%0.304SS..EExtended strand (participates in β ladder)trans-93.8121.6166.2-57.7174.6000108.1Y528 I529 Q531Y528-L763 CarbonylContact C-O 3.57Å; Y528-L763 VanDerWaalsContact CA-O 3.22Å; Y528-L763 WeakPolarHBondContact CA-O 3.16Å; I529-L763 HydrophobicContact CB-CB 4.28Å; I529-L763 PolarHBondContact N-O 3.11Å; I529-L763 PolarHBondContact O-N 3.05Å; Q531-L763 HydrophobicContact CG-CD1 4.34Å; Q531-L763 HydrophobicContact CG-CG 3.89Å
764R94.1Very high86.9Confident141 Ų14158.3 Ų58.353%0.53230%0.301SS..EExtended strand (participates in β ladder)trans-81.2127.3172.1-170.4178-172-157-4.4108.8R524 G525 Y528R524-R764 PolarHBondContact O-NH2 3.3Å; G525-R764 PolarHBondContact O-NE 3.06Å; Y528-R764 HydrophobicContact CD1-CB 4Å; Y528-R764 HydrophobicContact CD1-CG 4.13Å; Y528-R764 HydrophobicContact CE1-CB 3.95Å; Y528-R764 HydrophobicContact CE1-CG 3.76Å
765V94.2Very high86.7Confident27 Ų2759.9 Ų59.916%0.16431%0.308CS..PPolyproline II helixtrans-79.7130.7178.7-176.70000109L511 V522 V527 I529L511-V765 HydrophobicContact CD2-CB 4.44Å; L511-V765 HydrophobicContact CD2-CG1 3.86Å; L511-V765 HydrophobicContact CD2-CG2 3.75Å; V522-V765 HydrophobicContact CG1-CB 4.37Å; V522-V765 HydrophobicContact CG1-CG1 3.79Å; V527-V765 HydrophobicContact CB-CB 4.2Å; V527-V765 HydrophobicContact CB-CG2 4.3Å; V527-V765 HydrophobicContact CG1-CB 4.31Å; V527-V765 HydrophobicContact CG1-CG2 3.92Å; V527-V765 PolarHBondContact O-N 2.78Å; I529-V765 HydrophobicContact CD1-CG2 3.87Å; I529-V765 HydrophobicContact CG1-CG2 3.98Å
766T87.9Confident86.5Confident82 Ų8263.5 Ų63.550%0.50333%0.327SS..  trans-138.2150.5179.7600000110.5
767V84Confident86.3Confident51 Ų5163.8 Ų63.831%0.30933%0.327SS..  trans-107.2105.7173.9-179.40000109.1Y515 V522 A770 A773Y515-V767 HydrophobicContact CD2-CG2 3.86Å; Y515-V767 HydrophobicContact CE2-CG1 4.03Å; Y515-V767 HydrophobicContact CE2-CG2 3.85Å; V522-V767 HydrophobicContact CG1-CG2 3.97Å; V767-A770 HydrophobicContact CG1-CB 4.21Å; V767-A773 HydrophobicContact CG1-CB 4.26Å
768K74.5Confident86.1Confident115 Ų11561.1 Ų61.150%0.531%0.31SS..SBendtrans-84.4-43.8178.9-61.3-168.6-178.8-163.30112.2E183E183-K768 IonicContact OE1-NZ 2.89Å; E183-K768 PolarHBondContact OE1-NZ 2.91Å; E183-K768 VanDerWaalsContact OE2-CD 3.25Å; E183-K768 WeakPolarHBondContact OE2-CD 3.28Å; E183-K768 WeakPolarHBondContact OE2-CE 3.26Å; E183-K768 IonicContact OE2-NZ 2.74Å; E183-K768 PolarHBondContact OE2-NZ 3.01Å
769D76.1Confident86Confident22 Ų2252.9 Ų52.912%0.11827%0.273CS..  trans-125.9103.9174.4-178.8-0.2000110.4K189 I771 A772 A773K189-D769 WeakPolarHBondContact CB-OD2 3.12Å; K189-D769 HydrophobicContact CD-CB 3.97Å; K189-D769 WeakPolarHBondContact CD-OD1 3.39Å; K189-D769 WeakPolarHBondContact CE-OD1 3.47Å; K189-D769 HydrophobicContact CG-CB 4.44Å; K189-D769 VanDerWaalsContact CG-CG 3.47Å; K189-D769 WeakPolarHBondContact CG-OD1 3.38Å; K189-D769 WeakPolarHBondContact CG-OD2 3.22Å; K189-D769 IonicContact NZ-OD1 2.86Å; D769-I771 VanDerWaalsContact C-N 3.3Å; D769-I771 PolarHBondContact O-N 3.06Å; D769-I771 WeakPolarHBondContact OD1-CA 3.18Å; D769-I771 WeakPolarHBondContact OD1-CB 3.47Å; D769-I771 PolarHBondContact OD1-N 2.95Å; D769-A772 HydrophobicContact CB-CB 3.97Å; D769-A772 PolarHBondContact OD1-N 2.9Å; D769-A772 WeakPolarHBondContact OD2-CB 3.37Å; D769-A772 PolarHBondContact OD2-N 3.28Å; D769-A773 WeakPolarHBondContact O-CB 3.38Å; D769-A773 PolarHBondContact O-N 3.43Å
770A78.4Confident86.3Confident41 Ų4152.7 Ų52.734%0.33927%0.267SS..Hα-helixtrans-63.3-29.8176.200000113.7Y515 V767 D774Y515-A770 PolarHBondContact OH-O 3.27Å; V767-A770 HydrophobicContact CG1-CB 4.21Å; A770-D774 WeakPolarHBondContact O-CB 3.48Å; A770-D774 PolarHBondContact O-N 3.04Å
771I78.3Confident86.4Confident7 Ų751.1 Ų51.14%0.03626%0.261CS..Hα-helixtrans-73.5-51.2179-64.5171.1000109.4E193 F225 Y228 L229 Y267 D769 A773 D774 Q775E193-I771 HydrophobicContact CG-CD1 4.32Å; F225-I771 HydrophobicContact CE2-CD1 4.45Å; F225-I771 HydrophobicContact CZ-CD1 4.16Å; Y228-I771 HydrophobicContact CE1-CG2 4.25Å; L229-I771 HydrophobicContact CD2-CD1 4.39Å; L229-I771 HydrophobicContact CD2-CG1 4.29Å; L229-I771 HydrophobicContact CD2-CG2 3.87Å; Y267-I771 HydrophobicContact CD1-CD1 4.41Å; Y267-I771 HydrophobicContact CE1-CD1 3.89Å; Y267-I771 HydrophobicContact CE1-CG1 3.65Å; D769-I771 VanDerWaalsContact C-N 3.3Å; D769-I771 PolarHBondContact O-N 3.06Å; D769-I771 WeakPolarHBondContact OD1-CA 3.18Å; D769-I771 WeakPolarHBondContact OD1-CB 3.47Å; D769-I771 PolarHBondContact OD1-N 2.95Å; I771-A773 VanDerWaalsContact C-N 3.32Å; I771-A773 PolarHBondContact O-N 2.61Å; I771-D774 PolarHBondContact O-N 2.87Å; I771-Q775 WeakPolarHBondContact O-CG 3.44Å; I771-Q775 PolarHBondContact O-N 2.91Å
772A81.9Confident86.5Confident42 Ų4244 Ų4435%0.34724%0.236SC..Hα-helixtrans-63-39.717600000111.7D769 Q775 L776D769-A772 HydrophobicContact CB-CB 3.97Å; D769-A772 PolarHBondContact OD1-N 2.9Å; D769-A772 WeakPolarHBondContact OD2-CB 3.37Å; D769-A772 PolarHBondContact OD2-N 3.28Å; A772-Q775 PolarHBondContact O-N 3.39Å; A772-L776 WeakPolarHBondContact O-CB 3.47Å; A772-L776 PolarHBondContact O-N 3.4Å
773A86.1Confident86.2Confident18 Ų1846.9 Ų46.915%0.14925%0.252CS..Hα-helixtrans-62.4-46.9174.500000111.5Y515 V767 D769 I771 Q775 L776 F777Y515-A773 HydrophobicContact CE2-CB 4.05Å; V767-A773 HydrophobicContact CG1-CB 4.26Å; D769-A773 WeakPolarHBondContact O-CB 3.38Å; D769-A773 PolarHBondContact O-N 3.43Å; I771-A773 VanDerWaalsContact C-N 3.32Å; I771-A773 PolarHBondContact O-N 2.61Å; A773-Q775 PolarHBondContact O-N 2.93Å; A773-L776 PolarHBondContact O-N 2.89Å; A773-F777 HydrophobicContact CB-CD2 4.48Å; A773-F777 WeakPolarHBondContact O-CB 3.18Å; A773-F777 WeakPolarHBondContact O-CD2 3.34Å; A773-F777 PolarHBondContact O-N 3.37Å
774D85.4Confident85.7Confident4 Ų445 Ų452%0.02125%0.249CC..Hα-helixtrans-56.7-48.3174.918047.8000111.2K233 N265 Y515 R516 A770 I771 L776 T778K233-D774 IonicContact NZ-OD1 3.51Å; K233-D774 PolarHBondContact NZ-OD1 3.05Å; K233-D774 IonicContact NZ-OD2 2.77Å; K233-D774 PolarHBondContact NZ-OD2 3.33Å; N265-D774 PolarHBondContact ND2-OD2 3.25Å; Y515-D774 PolarHBondContact OH-N 2.93Å; R516-D774 IonicContact CZ-OD1 2.65Å; R516-D774 VanDerWaalsContact CZ-OD1 3.24Å; R516-D774 IonicContact NH1-OD1 3.14Å; R516-D774 PolarHBondContact NH1-OD1 3.34Å; R516-D774 PolarHBondContact NH2-O 3.03Å; R516-D774 IonicContact NH2-OD1 2.68Å; R516-D774 PolarHBondContact NH2-OD1 3.12Å; A770-D774 WeakPolarHBondContact O-CB 3.48Å; A770-D774 PolarHBondContact O-N 3.04Å; I771-D774 PolarHBondContact O-N 2.87Å; D774-L776 PolarHBondContact O-N 3.32Å; D774-T778 VanDerWaalsContact O-CB 3.27Å; D774-T778 WeakPolarHBondContact O-CB 3.47Å; D774-T778 PolarHBondContact O-N 3.35Å; D774-T778 PolarHBondContact O-OG1 3.37Å
775Q84.8Confident85.4Confident33 Ų3342.1 Ų42.115%0.15425%0.247CC..Hα-helixtrans-62.7-43177.6-74.6-177.8-8.800112.1Y228 N232 I771 A772 A773 T778 T779Y228-Q775 PolarHBondContact O-NE2 2.88Å; Y228-Q775 PolarHBondContact OH-NE2 3.19Å; Y228-Q775 PolarHBondContact OH-OE1 3.01Å; N232-Q775 PolarHBondContact ND2-O 3.46Å; I771-Q775 WeakPolarHBondContact O-CG 3.44Å; I771-Q775 PolarHBondContact O-N 2.91Å; A772-Q775 PolarHBondContact O-N 3.39Å; A773-Q775 PolarHBondContact O-N 2.93Å; Q775-T778 PolarHBondContact O-N 2.61Å; Q775-T779 WeakPolarHBondContact O-CB 3.03Å; Q775-T779 PolarHBondContact O-N 3.29Å; Q775-T779 PolarHBondContact O-OG1 3.33Å
776L89.4Confident85.1Confident76 Ų7646.5 Ų46.540%0.39827%0.266SS..Hα-helixtrans-64.8-49.3179.6-176.566.9000111.4A772 A773 D774 T778 T779 L780 F791A772-L776 WeakPolarHBondContact O-CB 3.47Å; A772-L776 PolarHBondContact O-N 3.4Å; A773-L776 PolarHBondContact O-N 2.89Å; D774-L776 PolarHBondContact O-N 3.32Å; L776-T778 VanDerWaalsContact C-N 3.31Å; L776-T778 PolarHBondContact O-N 2.92Å; L776-T779 PolarHBondContact O-N 3.44Å; L776-L780 HydrophobicContact CD1-CD1 3.68Å; L776-L780 HydrophobicContact CD1-CG 4.02Å; L776-L780 HydrophobicContact CG-CD1 3.91Å; L776-L780 HydrophobicContact CG-CG 4.42Å; L776-L780 WeakPolarHBondContact O-CB 3.38Å; L776-L780 WeakPolarHBondContact O-CG 3.45Å; L776-L780 PolarHBondContact O-N 2.96Å; L776-F791 HydrophobicContact CD1-CE2 3.68Å; L776-F791 HydrophobicContact CD1-CZ 3.71Å
777F90.7Very high85.1Confident36 Ų3644.7 Ų44.716%0.15826%0.256CS..Hα-helixtrans-60.5-42.1174.7-81.5-68000110.9L511 T512 Y515 A773 M781L511-F777 HydrophobicContact CB-CE1 4.32Å; L511-F777 HydrophobicContact CB-CZ 4.22Å; T512-F777 HydrophobicContact CG2-CD1 4.1Å; T512-F777 WeakPolarHBondContact OG1-CD1 3.5Å; T512-F777 WeakPolarHBondContact OG1-CE1 3.22Å; Y515-F777 AromaticContact CD1-CD2 3.27Å; Y515-F777 HydrophobicContact CD1-CD2 3.27Å; Y515-F777 AromaticContact CD1-CE2 3.55Å; Y515-F777 HydrophobicContact CD1-CE2 3.55Å; Y515-F777 AromaticContact CD1-CG 3.97Å; Y515-F777 HydrophobicContact CD1-CG 3.97Å; Y515-F777 HydrophobicContact CD1-CZ 4.42Å; Y515-F777 HydrophobicContact CD2-CD2 4.47Å; Y515-F777 HydrophobicContact CD2-CE2 4.04Å; Y515-F777 AromaticContact CE1-CD2 3.55Å; Y515-F777 HydrophobicContact CE1-CD2 3.55Å; Y515-F777 HydrophobicContact CE1-CE2 4.1Å; Y515-F777 HydrophobicContact CE1-CG 4.37Å; Y515-F777 AromaticContact CG-CD2 3.78Å; Y515-F777 HydrophobicContact CG-CD2 3.78Å; Y515-F777 AromaticContact CG-CE2 3.51Å; Y515-F777 HydrophobicContact CG-CE2 3.51Å; Y515-F777 HydrophobicContact CG-CZ 4.22Å; A773-F777 HydrophobicContact CB-CD2 4.48Å; A773-F777 WeakPolarHBondContact O-CB 3.18Å; A773-F777 WeakPolarHBondContact O-CD2 3.34Å; A773-F777 PolarHBondContact O-N 3.37Å; F777-M781 HydrophobicContact CD1-CG 4.29Å; F777-M781 VanDerWaalsContact O-CA 3.31Å; F777-M781 WeakPolarHBondContact O-CA 3.2Å; F777-M781 WeakPolarHBondContact O-CB 3.35Å; F777-M781 PolarHBondContact O-N 2.97Å
778T87.3Confident85.3Confident10 Ų1045.3 Ų45.36%0.06125%0.252CS..Hα-helixtrans-64.3-42.9177.4-50.80000111.6N232 K233 R516 D774 Q775 L776 G782N232-T778 HydrophobicContact CB-CG2 3.67Å; N232-T778 WeakPolarHBondContact O-CG2 3.39Å; K233-T778 HydrophobicContact CG-CG2 4.04Å; R516-T778 PolarHBondContact NH2-OG1 3.37Å; R516-T778 VanDerWaalsContact NH2-OG1 3.1Å; D774-T778 VanDerWaalsContact O-CB 3.27Å; D774-T778 WeakPolarHBondContact O-CB 3.47Å; D774-T778 PolarHBondContact O-N 3.35Å; D774-T778 PolarHBondContact O-OG1 3.37Å; Q775-T778 PolarHBondContact O-N 2.61Å; L776-T778 VanDerWaalsContact C-N 3.31Å; L776-T778 PolarHBondContact O-N 2.92Å; T778-G782 WeakPolarHBondContact O-CA 3.48Å; T778-G782 PolarHBondContact O-N 3.12Å
779T89.6Confident86Confident16 Ų1645.1 Ų45.110%0.09825%0.248CC..Hα-helixtrans-64.8-50.9177.4-63.90000111.8N232 Q775 L776 P787 R788 F791N232-T779 PolarHBondContact ND2-OG1 3.5Å; Q775-T779 WeakPolarHBondContact O-CB 3.03Å; Q775-T779 PolarHBondContact O-N 3.29Å; Q775-T779 PolarHBondContact O-OG1 3.33Å; L776-T779 PolarHBondContact O-N 3.44Å; T779-P787 HydrophobicContact CG2-CB 4.2Å; T779-R788 WeakPolarHBondContact O-CB 3.27Å; T779-R788 PolarHBondContact O-NE 2.91Å; T779-F791 HydrophobicContact CG2-CB 4.01Å; T779-F791 HydrophobicContact CG2-CG 4.44Å
780L91.8Very high86.5Confident52 Ų5245.9 Ų45.927%0.27226%0.258SS..Hα-helixtrans-76-37.4-174.5-64.1-177.6000112L776 R788 F791L776-L780 HydrophobicContact CD1-CD1 3.68Å; L776-L780 HydrophobicContact CD1-CG 4.02Å; L776-L780 HydrophobicContact CG-CD1 3.91Å; L776-L780 HydrophobicContact CG-CG 4.42Å; L776-L780 WeakPolarHBondContact O-CB 3.38Å; L776-L780 WeakPolarHBondContact O-CG 3.45Å; L776-L780 PolarHBondContact O-N 2.96Å; L780-R788 PolarHBondContact O-NE 3.48Å; L780-R788 PolarHBondContact O-NH2 3.19Å; L780-F791 HydrophobicContact CD2-CD1 3.62Å; L780-F791 HydrophobicContact CD2-CE1 3.83Å; L780-F791 HydrophobicContact CD2-CG 4.23Å
781M91.4Very high86.9Confident13 Ų1347.3 Ų47.36%0.06426%0.256CS..Hα-helixtrans-111.7-16.8-169.1-51.7-56.3-71.900113.7N452 E454 K455 T508 L509 T512 F777N452-M781 PolarHBondContact ND2-O 2.86Å; E454-M781 HydrophobicContact CB-CB 3.81Å; E454-M781 HydrophobicContact CG-CB 4.02Å; K455-M781 WeakPolarHBondContact CE-O 3.45Å; K455-M781 VanDerWaalsContact CG-O 3.25Å; K455-M781 WeakPolarHBondContact CG-O 3.39Å; T508-M781 HydrophobicContact CG2-CE 4.12Å; T508-M781 HydrophobicContact CG2-CG 4.46Å; T508-M781 HydrophobicContact CG2-SD 3.61Å; L509-M781 HydrophobicContact CD2-CE 3.41Å; L509-M781 VanDerWaalsContact CD2-CE 3.41Å; L509-M781 HydrophobicContact CG-CE 4.05Å; T512-M781 HydrophobicContact CG2-CB 4.22Å; T512-M781 HydrophobicContact CG2-CG 4.26Å; T512-M781 WeakPolarHBondContact OG1-CG 3.42Å; F777-M781 HydrophobicContact CD1-CG 4.29Å; F777-M781 VanDerWaalsContact O-CA 3.31Å; F777-M781 WeakPolarHBondContact O-CA 3.2Å; F777-M781 WeakPolarHBondContact O-CB 3.35Å; F777-M781 PolarHBondContact O-N 2.97Å
782G87Confident87.2Confident5 Ų551.6 Ų51.65%0.05228%0.279CS..SBendtrans-77.3177.8-179.900000114.4K455 T778 R788K455-G782 WeakPolarHBondContact CE-O 3.07Å; K455-G782 PolarHBondContact NZ-O 3.01Å; K455-G782 VanDerWaalsContact NZ-O 3.15Å; T778-G782 WeakPolarHBondContact O-CA 3.48Å; T778-G782 PolarHBondContact O-N 3.12Å; G782-R788 PolarHBondContact O-NH2 3.33Å
783D84.6Confident87.3Confident107 Ų10755.8 Ų55.857%0.57229%0.291SS*.SBendtrans-75.6-24.8-170.4-78.5-36.1000115K455 V785K455-D783 WeakPolarHBondContact CD-OD1 3.32Å; K455-D783 VanDerWaalsContact CE-OD1 3.23Å; K455-D783 WeakPolarHBondContact CE-OD1 3.48Å; K455-D783 WeakPolarHBondContact CG-OD1 3.3Å; K455-D783 IonicContact NZ-OD1 3.68Å; K455-D783 PolarHBondContact NZ-OD1 3.18Å; K455-D783 VanDerWaalsContact NZ-OD1 3.15Å; D783-V785 PolarHBondContact O-N 2.97Å
784A83.2Confident87Confident46 Ų4661.4 Ų61.438%0.3831%0.314SS..  trans-67.4122.8179.500000111.9P787A784-P787 HydrophobicContact CB-CG 3.96Å
785V87.8Confident86.7Confident81 Ų8163.6 Ų63.649%0.49133%0.326SS..SBendtrans-85-40.8-178.8178.20000112D783 R788 R789D783-V785 PolarHBondContact O-N 2.97Å; V785-R788 WeakPolarHBondContact O-CB 3.46Å; V785-R788 PolarHBondContact O-N 2.99Å; V785-R789 PolarHBondContact O-N 2.94Å
786E87.8Confident86Confident120 Ų12063.6 Ų63.656%0.56133%0.332SS*.Hα-helixtrans-62.8-47.4-174.5-61.8-55.4137.500113.9R788 R789 A790E786-R788 PolarHBondContact O-N 2.87Å; E786-R789 PolarHBondContact O-N 3.09Å; E786-R789 VanDerWaalsContact O-N 3.11Å; E786-R789 IonicContact OE1-CZ 3.68Å; E786-R789 IonicContact OE1-NH1 3.4Å; E786-R789 PolarHBondContact OE1-NH1 3.38Å; E786-R789 IonicContact OE2-CZ 2.81Å; E786-R789 IonicContact OE2-NH1 2.67Å; E786-R789 PolarHBondContact OE2-NH1 2.99Å; E786-A790 PolarHBondContact O-N 3.31Å
787P86.8Confident84.8Confident44 Ų4468.3 Ų68.329%0.28636%0.356SS..Hα-helixtrans-61.2-35.1177.8-22.934.8000112.4T779 A784 F791T779-P787 HydrophobicContact CG2-CB 4.2Å; A784-P787 HydrophobicContact CB-CG 3.96Å; P787-F791 WeakPolarHBondContact O-CB 3.45Å; P787-F791 PolarHBondContact O-N 3.3Å
788R89.5Confident83.2Confident63 Ų6374.3 Ų74.324%0.23838%0.382CS..Hα-helixtrans-66.7-43.3175.7-168.8-171.6-58.2-176.6-12.1111.8T779 L780 G782 V785 E786 F791 I792T779-R788 WeakPolarHBondContact O-CB 3.27Å; T779-R788 PolarHBondContact O-NE 2.91Å; L780-R788 PolarHBondContact O-NE 3.48Å; L780-R788 PolarHBondContact O-NH2 3.19Å; G782-R788 PolarHBondContact O-NH2 3.33Å; V785-R788 WeakPolarHBondContact O-CB 3.46Å; V785-R788 PolarHBondContact O-N 2.99Å; E786-R788 PolarHBondContact O-N 2.87Å; R788-F791 PolarHBondContact O-N 3.44Å; R788-I792 HydrophobicContact CG-CD1 4.15Å; R788-I792 VanDerWaalsContact O-CG1 3.3Å; R788-I792 WeakPolarHBondContact O-CG1 3.33Å; R788-I792 PolarHBondContact O-N 3.38Å
789R88.1Confident81.6Confident111 Ų11176.3 Ų76.342%0.41940%0.4SS..Hα-helixtrans-60.4-49.5177-177.3-178-66.4130.31.4110.5V785 E786 F791 I792 E793V785-R789 PolarHBondContact O-N 2.94Å; E786-R789 PolarHBondContact O-N 3.09Å; E786-R789 VanDerWaalsContact O-N 3.11Å; E786-R789 IonicContact OE1-CZ 3.68Å; E786-R789 IonicContact OE1-NH1 3.4Å; E786-R789 PolarHBondContact OE1-NH1 3.38Å; E786-R789 IonicContact OE2-CZ 2.81Å; E786-R789 IonicContact OE2-NH1 2.67Å; E786-R789 PolarHBondContact OE2-NH1 2.99Å; R789-F791 VanDerWaalsContact C-N 3.33Å; R789-F791 PolarHBondContact O-N 3.16Å; R789-I792 PolarHBondContact O-N 3.08Å; R789-I792 VanDerWaalsContact O-N 3.1Å; R789-E793 WeakPolarHBondContact CD-OE1 3.3Å; R789-E793 HydrophobicContact CG-CG 4.42Å; R789-E793 WeakPolarHBondContact CG-OE1 3.2Å; R789-E793 WeakPolarHBondContact O-CG 3.45Å; R789-E793 PolarHBondContact O-N 3.35Å
790A86.9Confident79.6Confident38 Ų3880.2 Ų80.231%0.31443%0.434SS..Hα-helixtrans-57.3-45.7176.700000111.9E786 I792 E793 E794E786-A790 PolarHBondContact O-N 3.31Å; A790-I792 VanDerWaalsContact C-N 3.3Å; A790-I792 PolarHBondContact O-N 2.85Å; A790-E793 PolarHBondContact O-N 3.11Å; A790-E794 WeakPolarHBondContact O-CB 3.45Å; A790-E794 WeakPolarHBondContact O-CG 3.43Å; A790-E794 PolarHBondContact O-N 2.95Å
791F86.3Confident77.3Confident71 Ų7184.5 Ų84.531%0.31146%0.457SS..Hα-helixtrans-58.1-41.8175.8-176.8-83.8000112.5L776 T779 L780 P787 R788 R789 N795L776-F791 HydrophobicContact CD1-CE2 3.68Å; L776-F791 HydrophobicContact CD1-CZ 3.71Å; T779-F791 HydrophobicContact CG2-CB 4.01Å; T779-F791 HydrophobicContact CG2-CG 4.44Å; L780-F791 HydrophobicContact CD2-CD1 3.62Å; L780-F791 HydrophobicContact CD2-CE1 3.83Å; L780-F791 HydrophobicContact CD2-CG 4.23Å; P787-F791 WeakPolarHBondContact O-CB 3.45Å; P787-F791 PolarHBondContact O-N 3.3Å; R788-F791 PolarHBondContact O-N 3.44Å; R789-F791 VanDerWaalsContact C-N 3.33Å; R789-F791 PolarHBondContact O-N 3.16Å; F791-N795 WeakPolarHBondContact O-CB 3.35Å; F791-N795 PolarHBondContact O-N 3.2Å; F791-N795 PolarHBondContact O-ND2 3.33Å
792I85.5Confident74.8Confident98 Ų9888.4 Ų88.450%0.50348%0.477SS..Hα-helixtrans-66.4-46.5177.7-67.4164.3000110.2R788 R789 A790 E794 N795 A796R788-I792 HydrophobicContact CG-CD1 4.15Å; R788-I792 VanDerWaalsContact O-CG1 3.3Å; R788-I792 WeakPolarHBondContact O-CG1 3.33Å; R788-I792 PolarHBondContact O-N 3.38Å; R789-I792 PolarHBondContact O-N 3.08Å; R789-I792 VanDerWaalsContact O-N 3.1Å; A790-I792 VanDerWaalsContact C-N 3.3Å; A790-I792 PolarHBondContact O-N 2.85Å; I792-E794 PolarHBondContact O-N 2.76Å; I792-N795 PolarHBondContact O-N 3.29Å; I792-A796 WeakPolarHBondContact O-CA 3.18Å; I792-A796 WeakPolarHBondContact O-CB 3.29Å; I792-A796 PolarHBondContact O-N 3.26Å
793E84.4Confident72.4Confident130 Ų13095 Ų9561%0.60751%0.511SS*.Hα-helixtrans-60.6-42.1179.7-71.8171.4179.800112.2R789 A790 N795R789-E793 WeakPolarHBondContact CD-OE1 3.3Å; R789-E793 HydrophobicContact CG-CG 4.42Å; R789-E793 WeakPolarHBondContact CG-OE1 3.2Å; R789-E793 WeakPolarHBondContact O-CG 3.45Å; R789-E793 PolarHBondContact O-N 3.35Å; A790-E793 PolarHBondContact O-N 3.11Å; E793-N795 VanDerWaalsContact C-N 3.34Å; E793-N795 PolarHBondContact O-N 3.42Å
794E79.9Confident69.9Low136 Ų136100.7 Ų100.764%0.63654%0.539SS*.Hα-helixtrans-69.3-27.9178.8-72.6173.4-175.300113.8A790 I792A790-E794 WeakPolarHBondContact O-CB 3.45Å; A790-E794 WeakPolarHBondContact O-CG 3.43Å; A790-E794 PolarHBondContact O-N 2.95Å; I792-E794 PolarHBondContact O-N 2.76Å
795N77.5Confident69.3Low49 Ų49103.4 Ų103.426%0.26255%0.547SS..Hα-helixtrans-110.9-11.8-173.1-66-74.8000114.2F791 I792 E793 L797 K798 A799F791-N795 WeakPolarHBondContact O-CB 3.35Å; F791-N795 PolarHBondContact O-N 3.2Å; F791-N795 PolarHBondContact O-ND2 3.33Å; I792-N795 PolarHBondContact O-N 3.29Å; E793-N795 VanDerWaalsContact C-N 3.34Å; E793-N795 PolarHBondContact O-N 3.42Å; N795-L797 VanDerWaalsContact C-N 3.33Å; N795-L797 PolarHBondContact O-N 3.34Å; N795-K798 WeakPolarHBondContact O-CB 3.48Å; N795-K798 PolarHBondContact O-N 2.97Å; N795-A799 PolarHBondContact O-N 3.42Å
796A71.4Confident68.3Low34 Ų34104.6 Ų104.628%0.28155%0.55SS..Hα-helixtrans-56.9-44.7-178.700000111.9I792 K798 A799 I802I792-A796 WeakPolarHBondContact O-CA 3.18Å; I792-A796 WeakPolarHBondContact O-CB 3.29Å; I792-A796 PolarHBondContact O-N 3.26Å; A796-K798 PolarHBondContact O-N 3.31Å; A796-A799 WeakPolarHBondContact O-CB 3.28Å; A796-A799 PolarHBondContact O-N 2.85Å; A796-A799 VanDerWaalsContact O-N 3.09Å; A796-I802 HydrophobicContact CB-CD1 4.15Å; A796-I802 WeakPolarHBondContact O-CD1 3.4Å
797L62.5Low67.2Low175 Ų175103.7 Ų103.792%0.91655%0.549SS*.THydrogen-bonded Turntrans-67.7-17.9179.6-65.1173.5000113.7N795N795-L797 VanDerWaalsContact C-N 3.33Å; N795-L797 PolarHBondContact O-N 3.34Å
798K59.2Low66.1Low162 Ų162107.2 Ų107.270%0.70457%0.565SS**THydrogen-bonded Turntrans-84.7-16.5176-60.9175.9-174.4166.90112.3N795 A796 A800N795-K798 WeakPolarHBondContact O-CB 3.48Å; N795-K798 PolarHBondContact O-N 2.97Å; A796-K798 PolarHBondContact O-N 3.31Å; K798-A800 PolarHBondContact O-N 3.48Å
799A52.1Low64.6Low52 Ų52110 Ų11043%0.4359%0.585SS.*  trans-79.2112.3-179.700000110.1N795 A796 N801 I802N795-A799 PolarHBondContact O-N 3.42Å; A796-A799 WeakPolarHBondContact O-CB 3.28Å; A796-A799 PolarHBondContact O-N 2.85Å; A796-A799 VanDerWaalsContact O-N 3.09Å; A799-N801 PolarHBondContact O-N 3.11Å; A799-I802 HydrophobicContact CB-CD1 4.09Å; A799-I802 HydrophobicContact CB-CG1 3.75Å
800A47.4Very low63Low98 Ų98109.9 Ų109.981%0.8160%0.596SS**SBendtrans-70.6-16.4-179.500000114K798K798-A800 PolarHBondContact O-N 3.48Å
801N43.4Very low61.3Low141 Ų141115.1 Ų115.175%0.75462%0.616SS**  trans-131.862.6-174.5-67.4-28000111.2A799 D803A799-N801 PolarHBondContact O-N 3.11Å; N801-D803 PolarHBondContact O-N 3.43Å
802I39.3Very low59.4Low96 Ų96118.5 Ų118.549%0.49264%0.64SS.*  trans-82.6105163.7-59177.7000106.3A796 A799 I804A796-I802 HydrophobicContact CB-CD1 4.15Å; A796-I802 WeakPolarHBondContact O-CD1 3.4Å; A799-I802 HydrophobicContact CB-CD1 4.09Å; A799-I802 HydrophobicContact CB-CG1 3.75Å; I802-I804 HydrophobicContact CG2-CG1 4.44Å; I802-I804 PolarHBondContact O-N 3.14Å
803D37.9Very low57.2Low142 Ų142120.2 Ų120.276%0.75965%0.651SS**  trans-62.9114.1162.1-89.6-23.8000107.1N801N801-D803 PolarHBondContact O-N 3.43Å
804I31.9Very low54.8Low227 Ų227119.3 Ų119.3100%1.16466%0.655SS**  trans-840173.4-58.9170.5000109.5I802I802-I804 HydrophobicContact CG2-CG1 4.44Å; I802-I804 PolarHBondContact O-N 3.14Å

Retrieved 804 of 804 residues in 690.3 ms (Link to these results)