A0A061IRA9_CRIGR Loading...

m7GpppN-mRNA hydrolase NUDT17

Acts as a decapping enzyme capable of hydrolyzing monomethylated capped RNAs (in vitro). Hydrolyzes monomethylated capped RNA after alpha and beta phosphates to form N(7)-methyl-GDP. Shows low activity towards unmethylated capped RNA.

AlphaFold DB , UniProt , Accession A0A061IRA9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Nudt17, Length 294 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
1M42.2Very low77.8Confident237 Ų23770 Ų70100%1.16743%0.433SS*.  0130.50-69.6-161.7-73.300107.1
2A53.2Low78.2Confident104 Ų10468 Ų6886%0.8644%0.436SS*.PPolyproline II helixtrans-60.2140.7173.300000109.3
3A59.5Low79.1Confident75 Ų7577.2 Ų77.262%0.6246%0.457SS*.PPolyproline II helixtrans-61.6143.3178.400000110.3R5A3-R5 PolarHBondContact O-N 3.39Å
4A66Low80.1Confident40 Ų4078.6 Ų78.633%0.33146%0.461SS..PPolyproline II helixtrans-63.4127.7174.600000109.3L7 Q46A4-L7 HydrophobicContact CB-CD2 4.27Å; A4-Q46 PolarHBondContact O-NE2 3.08Å
5R81.9Confident80.9Confident63 Ų6379.3 Ų79.324%0.23846%0.458CS..SBendtrans-87.6-19.3-179.8-62.2-166.8-173.8-171.918.1113.7A3 Q46 L47 V93 M129 E130 P131A3-R5 PolarHBondContact O-N 3.39Å; R5-Q46 CarbonylContact O-C 3.49Å; R5-Q46 WeakPolarHBondContact O-CA 3.21Å; R5-L47 PolarHBondContact O-N 3.03Å; R5-V93 HydrophobicContact CB-CG2 4.12Å; R5-M129 PolarHBondContact NH1-O 3.18Å; R5-M129 PolarHBondContact NH2-O 2.87Å; R5-E130 VanDerWaalsContact CZ-C 3.42Å; R5-E130 VanDerWaalsContact CZ-O 3.26Å; R5-E130 PolarHBondContact NH1-O 2.85Å; R5-E130 PolarHBondContact NH2-O 2.68Å; R5-P131 VanDerWaalsContact NH2-CD 3.34Å
6L92.1Very high81.5Confident4 Ų479.4 Ų79.42%0.02146%0.464CS..EExtended strand (participates in β ladder)trans-107.5121.7171179.563000109.4L8 V17 V23 L47 L49 V91 V93 L182L6-L8 HydrophobicContact CD1-CD2 4.23Å; L6-L8 HydrophobicContact CG-CD2 4.35Å; L6-V17 HydrophobicContact CD2-CG2 4.01Å; L6-V17 HydrophobicContact CG-CG2 4.2Å; L6-V23 HydrophobicContact CD2-CG1 4.14Å; L6-V23 HydrophobicContact CD2-CG2 3.65Å; L6-L47 HydrophobicContact CD1-CB 4.4Å; L6-L47 HydrophobicContact CD1-CD2 4.16Å; L6-L47 HydrophobicContact CD1-CG 4.21Å; L6-L49 HydrophobicContact CD1-CD1 3.74Å; L6-L49 HydrophobicContact CD1-CG 3.84Å; L6-V91 HydrophobicContact CD2-CB 3.89Å; L6-V91 HydrophobicContact CD2-CG1 3.88Å; L6-V91 HydrophobicContact CD2-CG2 4.43Å; L6-V93 HydrophobicContact CB-CG2 3.96Å; L6-L182 HydrophobicContact CD1-CD2 3.8Å; L6-L182 HydrophobicContact CD2-CB 4.39Å; L6-L182 HydrophobicContact CD2-CD2 4.03Å
7L93.9Very high82.1Confident20 Ų2075.1 Ų75.111%0.10544%0.44CS..EExtended strand (participates in β ladder)trans-121.1139.8171.3-62.2177.3000109.5A4 L14 E15 L47 I48 L49A4-L7 HydrophobicContact CB-CD2 4.27Å; L7-L14 HydrophobicContact CB-CD2 4.47Å; L7-L14 HydrophobicContact CD1-CD1 4.44Å; L7-E15 CarbonylContact C-O 3.5Å; L7-E15 WeakPolarHBondContact CA-O 3.43Å; L7-L47 PolarHBondContact N-O 3.38Å; L7-I48 HydrophobicContact CB-CG1 4.34Å; L7-I48 CarbonylContact O-C 3.45Å; L7-I48 VanDerWaalsContact O-CA 3.3Å; L7-I48 WeakPolarHBondContact O-CA 3.47Å; L7-L49 PolarHBondContact O-N 3.12Å
8L94.6Very high82.5Confident2 Ų272.9 Ų72.91%0.0143%0.426CS..EExtended strand (participates in β ladder)trans-105.3134.9171.2-51.8-175000109.1L6 L10 L14 E15 V17 V23 L26 L27 L49L6-L8 HydrophobicContact CD1-CD2 4.23Å; L6-L8 HydrophobicContact CG-CD2 4.35Å; L8-L10 HydrophobicContact CB-CD1 4.26Å; L8-L10 HydrophobicContact CB-CD2 4.01Å; L8-L10 HydrophobicContact CB-CG 3.85Å; L8-L10 HydrophobicContact CD1-CD1 4.47Å; L8-L10 PolarHBondContact O-N 3.42Å; L8-L14 WeakPolarHBondContact O-CA 3.34Å; L8-E15 PolarHBondContact N-O 3.22Å; L8-E15 PolarHBondContact O-N 3.48Å; L8-V17 HydrophobicContact CD1-CG2 3.49Å; L8-V17 VanDerWaalsContact CD1-CG2 3.49Å; L8-V17 HydrophobicContact CD2-CG2 4.02Å; L8-V17 HydrophobicContact CG-CG2 3.41Å; L8-V17 VanDerWaalsContact CG-CG2 3.41Å; L8-V23 HydrophobicContact CD2-CG1 4.19Å; L8-L26 HydrophobicContact CD1-CB 3.57Å; L8-L26 HydrophobicContact CD1-CD1 3.73Å; L8-L26 HydrophobicContact CD1-CG 4.32Å; L8-L27 HydrophobicContact CD1-CG 4.41Å; L8-L27 HydrophobicContact CD2-CD1 4.36Å; L8-L27 HydrophobicContact CD2-CD2 4.14Å; L8-L27 HydrophobicContact CD2-CG 4.28Å; L8-L49 CarbonylContact C-O 3.59Å; L8-L49 WeakPolarHBondContact CA-O 3.45Å; L8-L49 HydrophobicContact CD2-CB 3.83Å; L8-L49 HydrophobicContact CD2-CD1 4.25Å; L8-L49 HydrophobicContact CD2-CG 4.33Å
9R93.9Very high82.9Confident78 Ų7869.3 Ų69.329%0.29440%0.404SS..EExtended strand (participates in β ladder)trans-90.995.6168.7-165.5179.4-169.2-137.54.9109.2R13 L14 I48 L49 S50R9-R13 CarbonylContact C-O 3.58Å; R9-R13 VanDerWaalsContact CA-O 3.23Å; R9-R13 WeakPolarHBondContact CA-O 3.18Å; R9-L14 HydrophobicContact CB-CD2 4.02Å; R9-L14 HydrophobicContact CG-CD2 4.3Å; R9-I48 HydrophobicContact CB-CG2 4.37Å; R9-L49 PolarHBondContact N-O 3.3Å; R9-S50 PolarHBondContact O-OG 3.45Å
10L91Very high83.3Confident33 Ų3366.9 Ų66.917%0.17339%0.393CS..EExtended strand (participates in β ladder)trans-108.8127.3-179.1-55.1-179.5000109.3L8 G12 R13 L26L8-L10 HydrophobicContact CB-CD1 4.26Å; L8-L10 HydrophobicContact CB-CD2 4.01Å; L8-L10 HydrophobicContact CB-CG 3.85Å; L8-L10 HydrophobicContact CD1-CD1 4.47Å; L8-L10 PolarHBondContact O-N 3.42Å; L10-G12 PolarHBondContact O-N 3.13Å; L10-R13 PolarHBondContact N-O 3.18Å; L10-R13 PolarHBondContact O-N 3.24Å; L10-L26 WeakPolarHBondContact CD2-O 3.48Å
11A86.9Confident83.6Confident114 Ų11467.4 Ų67.494%0.94239%0.391SS*.THydrogen-bonded Turntrans46.934.8-177.700000114.2
12G83.6Confident86Confident46 Ų4656.6 Ų56.647%0.47434%0.339SS..THydrogen-bonded Turntrans85.8-5.4179.600000116.3L10L10-G12 PolarHBondContact O-N 3.13Å
13R89.9Confident88Confident187 Ų18751.7 Ų51.771%0.70630%0.298SS*.EExtended strand (participates in β ladder)trans-104147.6178.8-62.8-179-178.9179.4-0111.3R9 L10R9-R13 CarbonylContact C-O 3.58Å; R9-R13 VanDerWaalsContact CA-O 3.23Å; R9-R13 WeakPolarHBondContact CA-O 3.18Å; L10-R13 PolarHBondContact N-O 3.18Å; L10-R13 PolarHBondContact O-N 3.24Å
14L92.3Very high89.7Confident98 Ų9848.1 Ų48.151%0.51327%0.269SS..EExtended strand (participates in β ladder)trans-87.5125.5172-67.3175.4000109.4L7 L8 R9 I48L7-L14 HydrophobicContact CB-CD2 4.47Å; L7-L14 HydrophobicContact CD1-CD1 4.44Å; L8-L14 WeakPolarHBondContact O-CA 3.34Å; R9-L14 HydrophobicContact CB-CD2 4.02Å; R9-L14 HydrophobicContact CG-CD2 4.3Å; L14-I48 HydrophobicContact CD2-CD1 4.37Å; L14-I48 HydrophobicContact CD2-CG1 4.5Å; L14-I48 HydrophobicContact CD2-CG2 3.61Å
15E92.4Very high90.9Very high88 Ų8848.2 Ų48.241%0.41127%0.274SS..EExtended strand (participates in β ladder)trans-129.1139.3-177.7-63.2-177-152.600109.9L7 L8L7-E15 CarbonylContact C-O 3.5Å; L7-E15 WeakPolarHBondContact CA-O 3.43Å; L8-E15 PolarHBondContact N-O 3.22Å; L8-E15 PolarHBondContact O-N 3.48Å
16S91.3Very high91.4Very high81 Ų8148 Ų4857%0.56628%0.277SS*.EExtended strand (participates in β ladder)trans-78.5148.4170.256.90000110.4
17V90.8Very high91.4Very high7 Ų748 Ų484%0.04228%0.277CS..PPolyproline II helixtrans-91.6126.2178.4-171.40000110.1L6 L8 Q21 V23 L26 V91L6-V17 HydrophobicContact CD2-CG2 4.01Å; L6-V17 HydrophobicContact CG-CG2 4.2Å; L8-V17 HydrophobicContact CD1-CG2 3.49Å; L8-V17 VanDerWaalsContact CD1-CG2 3.49Å; L8-V17 HydrophobicContact CD2-CG2 4.02Å; L8-V17 HydrophobicContact CG-CG2 3.41Å; L8-V17 VanDerWaalsContact CG-CG2 3.41Å; V17-Q21 HydrophobicContact CG1-CB 4.28Å; V17-V23 HydrophobicContact CG1-CG2 4.08Å; V17-L26 HydrophobicContact CG1-CD1 3.85Å; V17-L26 HydrophobicContact CG2-CD1 4.41Å; V17-V91 HydrophobicContact CB-CG2 3.89Å; V17-V91 HydrophobicContact CG1-CG2 3.64Å
18N89.5Confident90.8Very high35 Ų3550.1 Ų50.119%0.18730%0.304CS..BIsolated β-bridgetrans-73.1142.3170.9-170.4-81.6000110.4A20 Q21 T87N18-A20 PolarHBondContact O-N 2.77Å; N18-A20 PolarHBondContact OD1-N 3.02Å; N18-A20 VanDerWaalsContact OD1-N 3.1Å; N18-Q21 HydrophobicContact CB-CG 4.13Å; N18-Q21 VanDerWaalsContact N-OE1 3.15Å; N18-Q21 PolarHBondContact O-N 2.93Å; N18-T87 PolarHBondContact ND2-O 2.9Å; N18-T87 VanDerWaalsContact ND2-O 3.11Å
19F90.6Very high89.9Confident4 Ų450.4 Ų50.42%0.01831%0.306CS..THydrogen-bonded Turntrans-44.7-38.3177.1177-93.4000114.9F71 L85 P86 R89 P177 H180F19-F71 HydrophobicContact CE1-CE1 4.2Å; F19-F71 HydrophobicContact CZ-CE1 4.34Å; F19-F71 HydrophobicContact CZ-CZ 4.41Å; F19-F71 VanDerWaalsContact O-CE1 3.31Å; F19-F71 WeakPolarHBondContact O-CE1 3.36Å; F19-L85 HydrophobicContact CD1-CB 4.25Å; F19-L85 HydrophobicContact CE1-CB 4.33Å; F19-L85 HydrophobicContact CE1-CD2 4.22Å; F19-P86 WeakPolarHBondContact CB-O 3.47Å; F19-R89 HydrophobicContact CB-CB 4.28Å; F19-R89 WeakPolarHBondContact CB-O 3.18Å; F19-R89 HydrophobicContact CD2-CB 4.41Å; F19-R89 PolarHBondContact N-O 3.17Å; F19-R89 VanDerWaalsContact N-O 3.08Å; F19-P177 WeakPolarHBondContact CE1-O 3.45Å; F19-P177 VanDerWaalsContact CZ-O 3.29Å; F19-P177 WeakPolarHBondContact CZ-O 3.49Å; F19-H180 HydrophobicContact CD2-CB 3.69Å; F19-H180 HydrophobicContact CE2-CB 3.65Å; F19-H180 HydrophobicContact CZ-CB 4.45Å; F19-H180 PolarHBondContact O-ND1 2.91Å
20A89.5Confident88.7Confident21 Ų2148.5 Ų48.517%0.17431%0.311CS..THydrogen-bonded Turntrans-81.3-9.2-176.200000114.7N18 L85N18-A20 PolarHBondContact O-N 2.77Å; N18-A20 PolarHBondContact OD1-N 3.02Å; N18-A20 VanDerWaalsContact OD1-N 3.1Å; A20-L85 HydrophobicContact CB-CB 4.2Å; A20-L85 HydrophobicContact CB-CD1 3.89Å
21Q90.4Very high87.7Confident78 Ų7854.6 Ų54.636%0.36434%0.339SS..SBendtrans-97132.3-174.6-64.7174.2-62.300110.9V17 N18 V23 L26 H180V17-Q21 HydrophobicContact CG1-CB 4.28Å; N18-Q21 HydrophobicContact CB-CG 4.13Å; N18-Q21 VanDerWaalsContact N-OE1 3.15Å; N18-Q21 PolarHBondContact O-N 2.93Å; Q21-V23 PolarHBondContact O-N 3.33Å; Q21-L26 HydrophobicContact CB-CD1 3.79Å; Q21-L26 HydrophobicContact CB-CG 4.29Å; Q21-H180 PolarHBondContact O-CE1 3.13Å
22S93.3Very high87.4Confident11 Ų1151 Ų518%0.07731%0.312CS..  trans-68125.6174175.30000111.3G25 L26 E165S22-G25 PolarHBondContact O-N 3.02Å; S22-G25 PolarHBondContact OG-N 2.85Å; S22-L26 WeakPolarHBondContact O-CG 3.41Å; S22-L26 PolarHBondContact O-N 2.74Å; S22-E165 WeakPolarHBondContact CA-OE1 3.1Å; S22-E165 WeakPolarHBondContact CB-OE1 3.45Å; S22-E165 PolarHBondContact OG-OE1 3.4Å; S22-E165 PolarHBondContact OG-OE2 2.84Å
23V94.7Very high87.4Confident0 Ų050.9 Ų50.90%030%0.304CS..Hα-helixtrans-60.5-50.7176.21760000110.3L6 L8 V17 Q21 G25 L26 L27 L49 I63 V91 E165 L182L6-V23 HydrophobicContact CD2-CG1 4.14Å; L6-V23 HydrophobicContact CD2-CG2 3.65Å; L8-V23 HydrophobicContact CD2-CG1 4.19Å; V17-V23 HydrophobicContact CG1-CG2 4.08Å; Q21-V23 PolarHBondContact O-N 3.33Å; V23-G25 VanDerWaalsContact C-N 3.25Å; V23-G25 PolarHBondContact O-N 2.9Å; V23-L26 PolarHBondContact O-N 3.19Å; V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 2.86Å; V23-L27 VanDerWaalsContact O-N 3.08Å; V23-L49 HydrophobicContact CG1-CD1 4.3Å; V23-I63 HydrophobicContact CG1-CD1 4.2Å; V23-V91 HydrophobicContact CG2-CG1 4.18Å; V23-V91 HydrophobicContact CG2-CG2 3.96Å; V23-E165 HydrophobicContact CB-CG 4.44Å; V23-E165 PolarHBondContact N-OE1 3.41Å; V23-L182 HydrophobicContact CG1-CD1 4.4Å; V23-L182 HydrophobicContact CG1-CD2 4.46Å
24C94.3Very high87.3Confident0 Ų043.2 Ų43.20%028%0.283CS..Hα-helixtrans-61.5-37.8177-65.90000111L27 A29 W36 R65 E165C24-L27 PolarHBondContact O-N 3.49Å; C24-A29 HydrophobicContact CB-CB 4.09Å; C24-A29 WeakPolarHBondContact O-CB 3.33Å; C24-A29 PolarHBondContact O-N 2.76Å; C24-W36 HydrophobicContact CB-CZ3 3.89Å; C24-R65 HydrophobicContact CB-CG 4.49Å; C24-E165 WeakPolarHBondContact CB-OE2 3.5Å; C24-E165 PolarHBondContact N-OE2 2.93Å; C24-E165 PolarHBondContact SG-OE2 2.89Å
25G91.8Very high87.2Confident42 Ų4241 Ų4143%0.43327%0.274SS..Hα-helixtrans-61.6-46.6176.200000113S22 V23 L27 G28S22-G25 PolarHBondContact O-N 3.02Å; S22-G25 PolarHBondContact OG-N 2.85Å; V23-G25 VanDerWaalsContact C-N 3.25Å; V23-G25 PolarHBondContact O-N 2.9Å; G25-L27 VanDerWaalsContact C-N 3.31Å; G25-L27 PolarHBondContact O-N 3.09Å; G25-G28 PolarHBondContact O-N 3.48Å; G25-G28 VanDerWaalsContact O-N 3.11Å
26L92.1Very high87.3Confident58 Ų5839.5 Ų39.530%0.30427%0.265SS..Hα-helixtrans-65.1-32.8178.5-72175.1000113.1L8 L10 V17 Q21 S22 V23 G28L8-L26 HydrophobicContact CD1-CB 3.57Å; L8-L26 HydrophobicContact CD1-CD1 3.73Å; L8-L26 HydrophobicContact CD1-CG 4.32Å; L10-L26 WeakPolarHBondContact CD2-O 3.48Å; V17-L26 HydrophobicContact CG1-CD1 3.85Å; V17-L26 HydrophobicContact CG2-CD1 4.41Å; Q21-L26 HydrophobicContact CB-CD1 3.79Å; Q21-L26 HydrophobicContact CB-CG 4.29Å; S22-L26 WeakPolarHBondContact O-CG 3.41Å; S22-L26 PolarHBondContact O-N 2.74Å; V23-L26 PolarHBondContact O-N 3.19Å; L26-G28 PolarHBondContact O-N 2.86Å
27L92Very high87.5Confident5 Ų541.2 Ų41.23%0.02626%0.26CS..THydrogen-bonded Turntrans-73.20.5175.6-70.7167.6000113.1L8 V23 C24 G25 A29 I38 L49 S51 I63L8-L27 HydrophobicContact CD1-CG 4.41Å; L8-L27 HydrophobicContact CD2-CD1 4.36Å; L8-L27 HydrophobicContact CD2-CD2 4.14Å; L8-L27 HydrophobicContact CD2-CG 4.28Å; V23-L27 HydrophobicContact CG1-CD1 3.96Å; V23-L27 WeakPolarHBondContact O-CG 3.33Å; V23-L27 PolarHBondContact O-N 2.86Å; V23-L27 VanDerWaalsContact O-N 3.08Å; C24-L27 PolarHBondContact O-N 3.49Å; G25-L27 VanDerWaalsContact C-N 3.31Å; G25-L27 PolarHBondContact O-N 3.09Å; L27-A29 PolarHBondContact O-N 3.49Å; L27-I38 HydrophobicContact CD1-CG2 4.21Å; L27-L49 HydrophobicContact CD1-CB 4.14Å; L27-L49 HydrophobicContact CD1-CD1 4.06Å; L27-L49 HydrophobicContact CD2-CB 4.12Å; L27-S51 VanDerWaalsContact O-CB 3.26Å; L27-S51 WeakPolarHBondContact O-CB 3.4Å; L27-I63 HydrophobicContact CD1-CD1 4.05Å
28G81.6Confident87.7Confident65 Ų6541.1 Ų41.167%0.6726%0.259SS*.THydrogen-bonded Turntrans67.618.6-175.700000112.7G25 L26 G30G25-G28 PolarHBondContact O-N 3.48Å; G25-G28 VanDerWaalsContact O-N 3.11Å; L26-G28 PolarHBondContact O-N 2.86Å; G28-G30 PolarHBondContact O-N 2.99Å; G28-G30 VanDerWaalsContact O-N 3.13Å
29A75.8Confident88Confident7 Ų741.2 Ų41.26%0.05826%0.258CS..  trans-69.5108.1171.400000106C24 L27 W36C24-A29 HydrophobicContact CB-CB 4.09Å; C24-A29 WeakPolarHBondContact O-CB 3.33Å; C24-A29 PolarHBondContact O-N 2.76Å; L27-A29 PolarHBondContact O-N 3.49Å; A29-W36 VanDerWaalsContact C-CE2 3.4Å; A29-W36 HydrophobicContact CB-CB 4.08Å; A29-W36 HydrophobicContact CB-CD2 3.18Å; A29-W36 HydrophobicContact CB-CE3 3.18Å; A29-W36 HydrophobicContact CB-CG 3.62Å; A29-W36 HydrophobicContact CB-CH2 3.93Å; A29-W36 HydrophobicContact CB-CZ2 4.01Å; A29-W36 HydrophobicContact CB-CZ3 3.56Å
30G68.6Low88.1Confident38 Ų3841.4 Ų41.439%0.39226%0.26SS..  trans-51.8-164-159.500000118.3G28 G32 W36 R65G28-G30 PolarHBondContact O-N 2.99Å; G28-G30 VanDerWaalsContact O-N 3.13Å; G30-G32 VanDerWaalsContact C-N 3.28Å; G30-G32 PolarHBondContact O-N 3.26Å; G30-W36 VanDerWaalsContact N-CE2 3.31Å; G30-W36 VanDerWaalsContact N-NE1 3.2Å; G30-W36 VanDerWaalsContact O-CZ2 3.27Å; G30-W36 WeakPolarHBondContact O-CZ2 3.44Å; G30-R65 PolarHBondContact O-NH2 3.32Å
31Q70.2Confident88.3Confident161 Ų16140.7 Ų40.775%0.75225%0.253SS*.SBendtrans-67-24.7-171.2-65.6-65.7-17.400114.3
32G81.6Confident88.2Confident38 Ų3839.2 Ų39.239%0.39225%0.245SC..SBendtrans-70.4-175.8176.900000113.7G30 W36 R65G30-G32 VanDerWaalsContact C-N 3.28Å; G30-G32 PolarHBondContact O-N 3.26Å; G32-W36 WeakPolarHBondContact O-CH2 3.12Å; G32-W36 WeakPolarHBondContact O-CZ2 3.27Å; G32-R65 PolarHBondContact O-NH2 3.2Å
33P83.6Confident87.7Confident45 Ų4542.7 Ų42.729%0.29226%0.26SS..  trans-83.2-15.9175.530.1-33000114.4W36 Q64 R65P33-W36 VanDerWaalsContact O-CH2 3.26Å; P33-W36 WeakPolarHBondContact O-CH2 3.35Å; P33-W36 WeakPolarHBondContact O-CZ3 3.4Å; P33-Q64 WeakPolarHBondContact O-CG 3.48Å; P33-R65 VanDerWaalsContact CB-O 3.27Å; P33-R65 WeakPolarHBondContact CB-O 3.29Å; P33-R65 PolarHBondContact O-N 2.95Å
34G87.8Confident86.9Confident26 Ų2653.9 Ų53.927%0.26830%0.302SS..  trans107.7-164-172.500000111.9W36G34-W36 VanDerWaalsContact CA-CE3 3.43Å
35P89.9Confident86.3Confident52 Ų5254.4 Ų54.434%0.33831%0.307SS..  cis-75.1148.42.630.2-34000112.8P62 I63 Q64 F283P35-P62 HydrophobicContact CB-CB 3.89Å; P35-I63 CarbonylContact C-O 3.54Å; P35-I63 VanDerWaalsContact CA-O 3.3Å; P35-I63 WeakPolarHBondContact CA-O 3.33Å; P35-Q64 HydrophobicContact CB-CB 4.38Å; P35-F283 HydrophobicContact CB-CE2 4.29Å
36W93.9Very high86.1Confident56 Ų5655 Ų5521%0.21230%0.299CS..EExtended strand (participates in β ladder)trans-117.6151.7167-52.3-89000109.7C24 A29 G30 G32 P33 G34 P62 I63C24-W36 HydrophobicContact CB-CZ3 3.89Å; A29-W36 VanDerWaalsContact C-CE2 3.4Å; A29-W36 HydrophobicContact CB-CB 4.08Å; A29-W36 HydrophobicContact CB-CD2 3.18Å; A29-W36 HydrophobicContact CB-CE3 3.18Å; A29-W36 HydrophobicContact CB-CG 3.62Å; A29-W36 HydrophobicContact CB-CH2 3.93Å; A29-W36 HydrophobicContact CB-CZ2 4.01Å; A29-W36 HydrophobicContact CB-CZ3 3.56Å; G30-W36 VanDerWaalsContact N-CE2 3.31Å; G30-W36 VanDerWaalsContact N-NE1 3.2Å; G30-W36 VanDerWaalsContact O-CZ2 3.27Å; G30-W36 WeakPolarHBondContact O-CZ2 3.44Å; G32-W36 WeakPolarHBondContact O-CH2 3.12Å; G32-W36 WeakPolarHBondContact O-CZ2 3.27Å; P33-W36 VanDerWaalsContact O-CH2 3.26Å; P33-W36 WeakPolarHBondContact O-CH2 3.35Å; P33-W36 WeakPolarHBondContact O-CZ3 3.4Å; G34-W36 VanDerWaalsContact CA-CE3 3.43Å; W36-P62 CarbonylContact O-C 3.55Å; W36-P62 VanDerWaalsContact O-CA 3.28Å; W36-P62 WeakPolarHBondContact O-CA 3.32Å; W36-I63 HydrophobicContact CB-CG2 4.41Å; W36-I63 HydrophobicContact CE3-CG2 4.38Å; W36-I63 PolarHBondContact N-O 2.82Å; W36-I63 WeakPolarHBondContact O-CG2 3.25Å; W36-I63 PolarHBondContact O-N 3.27Å
37Y94.8Very high86.1Confident117 Ų11752.5 Ų52.546%0.45929%0.286SS..EExtended strand (participates in β ladder)trans-96.8116.4-179.4-73.4-91.8000110.8L61 P62Y37-L61 WeakPolarHBondContact CA-O 3.21Å; Y37-P62 HydrophobicContact CD1-CB 4.46Å; Y37-P62 HydrophobicContact CE1-CB 4.15Å; Y37-P62 HydrophobicContact CE1-CG 4.43Å
38I95.1Very high86.3Confident4 Ų452.6 Ų52.62%0.02129%0.286CS..EExtended strand (participates in β ladder)trans-112.2148.5-179.36171.5000110.6L27 C40 L49 R60 L61 I63 L163L27-I38 HydrophobicContact CD1-CG2 4.21Å; I38-C40 HydrophobicContact CD1-CB 3.96Å; I38-L49 HydrophobicContact CD1-CB 4.49Å; I38-L49 HydrophobicContact CD1-CD2 3.73Å; I38-L49 HydrophobicContact CD1-CG 4.48Å; I38-R60 CarbonylContact O-C 3.58Å; I38-R60 VanDerWaalsContact O-CA 3.26Å; I38-R60 WeakPolarHBondContact O-CA 3.24Å; I38-L61 PolarHBondContact N-O 3.25Å; I38-L61 PolarHBondContact O-N 3.38Å; I38-I63 HydrophobicContact CB-CG2 4.32Å; I38-I63 HydrophobicContact CG1-CB 3.95Å; I38-I63 HydrophobicContact CG1-CG2 3.75Å; I38-I63 HydrophobicContact CG2-CG2 3.58Å; I38-L163 HydrophobicContact CD1-CD1 3.44Å; I38-L163 VanDerWaalsContact CD1-CD1 3.44Å; I38-L163 HydrophobicContact CG1-CD1 4.1Å
39H95.8Very high86.9Confident38 Ų3849.5 Ų49.518%0.17625%0.254CS..EExtended strand (participates in β ladder)trans-81.4133172.9-70.8-83000108.9L49 S50 S53 F54 A57H39-L49 CarbonylContact O-C 3.49Å; H39-L49 WeakPolarHBondContact O-CA 3.39Å; H39-S50 PolarHBondContact N-O 3.06Å; H39-S50 PolarHBondContact O-N 3.39Å; H39-S53 PolarHBondContact CD2-N 3.25Å; H39-S53 VanDerWaalsContact CD2-N 3.31Å; H39-F54 HydrophobicContact CB-CD1 4.11Å; H39-F54 HydrophobicContact CB-CE1 3.87Å; H39-A57 HydrophobicContact CB-CB 3.98Å
40C94.1Very high87.9Confident7 Ų749.5 Ų49.55%0.04725%0.253CS..EExtended strand (participates in β ladder)trans-132.5150.7178.857.60000112.3I38 L47 I48 L49 A57 L58 E59 L61I38-C40 HydrophobicContact CD1-CB 3.96Å; C40-L47 HydrophobicContact CB-CD1 4.3Å; C40-I48 VanDerWaalsContact CA-O 3.27Å; C40-I48 WeakPolarHBondContact CA-O 3.36Å; C40-L49 HydrophobicContact CB-CD2 3.53Å; C40-A57 WeakPolarHBondContact O-CA 3.21Å; C40-L58 PolarHBondContact O-N 3.36Å; C40-E59 PolarHBondContact N-O 2.93Å; C40-E59 PolarHBondContact O-N 2.84Å; C40-E59 VanDerWaalsContact SG-CB 3.58Å; C40-L61 VanDerWaalsContact SG-CD1 3.55Å
41S92.4Very high89Confident6 Ų650.9 Ų50.94%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-139.6145.9168.571.40000109.7Q43 I48 F54 G56S41-Q43 PolarHBondContact OG-NE2 3.03Å; S41-I48 PolarHBondContact N-O 2.98Å; S41-I48 PolarHBondContact O-N 2.92Å; S41-F54 WeakPolarHBondContact OG-CE2 3.41Å; S41-G56 WeakPolarHBondContact CB-O 2.87Å
42W88.6Confident90.1Very high48 Ų4846.8 Ų46.818%0.18225%0.246CC..EExtended strand (participates in β ladder)trans-101.2122.3167.6-171-101.2000109.2L47 M129 E133 E134 I135W42-L47 HydrophobicContact CE3-CB 3.92Å; W42-L47 HydrophobicContact CE3-CD1 4.29Å; W42-L47 HydrophobicContact CZ3-CB 3.75Å; W42-M129 HydrophobicContact CH2-CE 3.18Å; W42-M129 HydrophobicContact CH2-SD 3.35Å; W42-M129 WeakPolarHBondContact CH2-SD 3.5Å; W42-M129 HydrophobicContact CZ2-CE 3.41Å; W42-M129 VanDerWaalsContact CZ2-CE 3.41Å; W42-M129 HydrophobicContact CZ2-SD 4.21Å; W42-M129 HydrophobicContact CZ3-CE 4Å; W42-M129 HydrophobicContact CZ3-SD 3.79Å; W42-E133 VanDerWaalsContact CZ2-O 3.31Å; W42-E133 WeakPolarHBondContact CZ2-O 3.48Å; W42-E134 VanDerWaalsContact NE1-CD 3.33Å; W42-E134 PolarHBondContact NE1-OE1 3.44Å; W42-E134 PolarHBondContact NE1-OE2 2.88Å; W42-I135 HydrophobicContact CB-CD1 3.99Å; W42-I135 HydrophobicContact CD2-CD1 3.79Å; W42-I135 HydrophobicContact CD2-CG1 3.86Å; W42-I135 HydrophobicContact CE3-CD1 3.63Å; W42-I135 HydrophobicContact CE3-CG1 3.71Å; W42-I135 HydrophobicContact CG-CD1 3.94Å; W42-I135 HydrophobicContact CG-CG1 4.37Å; W42-I135 HydrophobicContact CH2-CG1 4.48Å; W42-I135 HydrophobicContact CZ3-CD1 4.37Å; W42-I135 HydrophobicContact CZ3-CG1 4.01Å
43Q82.9Confident90.6Very high83 Ų8349 Ų4939%0.38826%0.256SS..EExtended strand (participates in β ladder)trans-142.3118.9-178.6-62.7-176.28.100110.4S41 G45 Q46 I48S41-Q43 PolarHBondContact OG-NE2 3.03Å; Q43-G45 VanDerWaalsContact C-N 3.35Å; Q43-G45 PolarHBondContact O-N 2.83Å; Q43-Q46 PolarHBondContact N-O 3.26Å; Q43-Q46 WeakPolarHBondContact O-CB 3.5Å; Q43-Q46 PolarHBondContact O-N 3.15Å; Q43-I48 HydrophobicContact CB-CD1 4.28Å; Q43-I48 HydrophobicContact CG-CD1 4.37Å
44R78.4Confident91Very high236 Ų23647.6 Ų47.689%0.89125%0.245SC*.THydrogen-bonded Turntrans52.547.9173.1-55.2178.3-179.3178.4-0.5112.9Q46R44-Q46 VanDerWaalsContact C-N 3.26Å; R44-Q46 PolarHBondContact O-N 3.48Å
45G81Confident91Very high10 Ų1051.6 Ų51.610%0.10327%0.266CS..THydrogen-bonded Turntrans73.213-17900000115Q43Q43-G45 VanDerWaalsContact C-N 3.35Å; Q43-G45 PolarHBondContact O-N 2.83Å
46Q88.6Confident90.8Very high55 Ų5550.9 Ų50.926%0.25727%0.269SS..EExtended strand (participates in β ladder)trans-121.3131.8179.4-56.1-176.8-53.500111.6A4 R5 Q43 R44A4-Q46 PolarHBondContact O-NE2 3.08Å; R5-Q46 CarbonylContact O-C 3.49Å; R5-Q46 WeakPolarHBondContact O-CA 3.21Å; Q43-Q46 PolarHBondContact N-O 3.26Å; Q43-Q46 WeakPolarHBondContact O-CB 3.5Å; Q43-Q46 PolarHBondContact O-N 3.15Å; R44-Q46 VanDerWaalsContact C-N 3.26Å; R44-Q46 PolarHBondContact O-N 3.48Å
47L92.4Very high90.4Very high6 Ų649.3 Ų49.33%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-84.2118.1167.9-177.759.3000109.4R5 L6 L7 C40 W42 L49 V93 L163 L182R5-L47 PolarHBondContact O-N 3.03Å; L6-L47 HydrophobicContact CD1-CB 4.4Å; L6-L47 HydrophobicContact CD1-CD2 4.16Å; L6-L47 HydrophobicContact CD1-CG 4.21Å; L7-L47 PolarHBondContact N-O 3.38Å; C40-L47 HydrophobicContact CB-CD1 4.3Å; W42-L47 HydrophobicContact CE3-CB 3.92Å; W42-L47 HydrophobicContact CE3-CD1 4.29Å; W42-L47 HydrophobicContact CZ3-CB 3.75Å; L47-L49 HydrophobicContact CD1-CD2 3.72Å; L47-L49 HydrophobicContact CD2-CD2 4.07Å; L47-L49 HydrophobicContact CD2-CG 4.49Å; L47-L49 HydrophobicContact CG-CD2 3.68Å; L47-L49 HydrophobicContact CG-CG 4.17Å; L47-V93 HydrophobicContact CD2-CG1 4.3Å; L47-L163 HydrophobicContact CD2-CD2 3.97Å; L47-L182 HydrophobicContact CD2-CD2 3.88Å
48I94.5Very high89.8Confident7 Ų750.9 Ų50.94%0.03628%0.283CS..EExtended strand (participates in β ladder)trans-107.5125.3175.8-55.8171.8000108.8L7 R9 L14 C40 S41 Q43 F54L7-I48 HydrophobicContact CB-CG1 4.34Å; L7-I48 CarbonylContact O-C 3.45Å; L7-I48 VanDerWaalsContact O-CA 3.3Å; L7-I48 WeakPolarHBondContact O-CA 3.47Å; R9-I48 HydrophobicContact CB-CG2 4.37Å; L14-I48 HydrophobicContact CD2-CD1 4.37Å; L14-I48 HydrophobicContact CD2-CG1 4.5Å; L14-I48 HydrophobicContact CD2-CG2 3.61Å; C40-I48 VanDerWaalsContact CA-O 3.27Å; C40-I48 WeakPolarHBondContact CA-O 3.36Å; S41-I48 PolarHBondContact N-O 2.98Å; S41-I48 PolarHBondContact O-N 2.92Å; Q43-I48 HydrophobicContact CB-CD1 4.28Å; Q43-I48 HydrophobicContact CG-CD1 4.37Å; I48-F54 HydrophobicContact CB-CZ 4.28Å; I48-F54 HydrophobicContact CG2-CE2 4.05Å; I48-F54 HydrophobicContact CG2-CZ 3.85Å
49L95.6Very high89.5Confident0 Ų055.3 Ų55.30%030%0.304CS..EExtended strand (participates in β ladder)trans-118.1145179.1-52.1-174.3000112.2L6 L7 L8 R9 V23 L27 I38 H39 C40 L47 I63 L163 L182L6-L49 HydrophobicContact CD1-CD1 3.74Å; L6-L49 HydrophobicContact CD1-CG 3.84Å; L7-L49 PolarHBondContact O-N 3.12Å; L8-L49 CarbonylContact C-O 3.59Å; L8-L49 WeakPolarHBondContact CA-O 3.45Å; L8-L49 HydrophobicContact CD2-CB 3.83Å; L8-L49 HydrophobicContact CD2-CD1 4.25Å; L8-L49 HydrophobicContact CD2-CG 4.33Å; R9-L49 PolarHBondContact N-O 3.3Å; V23-L49 HydrophobicContact CG1-CD1 4.3Å; L27-L49 HydrophobicContact CD1-CB 4.14Å; L27-L49 HydrophobicContact CD1-CD1 4.06Å; L27-L49 HydrophobicContact CD2-CB 4.12Å; I38-L49 HydrophobicContact CD1-CB 4.49Å; I38-L49 HydrophobicContact CD1-CD2 3.73Å; I38-L49 HydrophobicContact CD1-CG 4.48Å; H39-L49 CarbonylContact O-C 3.49Å; H39-L49 WeakPolarHBondContact O-CA 3.39Å; C40-L49 HydrophobicContact CB-CD2 3.53Å; L47-L49 HydrophobicContact CD1-CD2 3.72Å; L47-L49 HydrophobicContact CD2-CD2 4.07Å; L47-L49 HydrophobicContact CD2-CG 4.49Å; L47-L49 HydrophobicContact CG-CD2 3.68Å; L47-L49 HydrophobicContact CG-CG 4.17Å; L49-I63 HydrophobicContact CD1-CD1 4.4Å; L49-L163 HydrophobicContact CD1-CD1 4.29Å; L49-L163 HydrophobicContact CD2-CD1 3.92Å; L49-L182 HydrophobicContact CD1-CD2 3.57Å
50S95.3Very high89.4Confident6 Ų660.7 Ų60.74%0.04232%0.323CS..EExtended strand (participates in β ladder)trans-150.3150.1172.4-162.50000112R9 H39 S52R9-S50 PolarHBondContact O-OG 3.45Å; H39-S50 PolarHBondContact N-O 3.06Å; H39-S50 PolarHBondContact O-N 3.39Å; S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 VanDerWaalsContact CB-O 3.29Å; S50-S52 WeakPolarHBondContact CB-O 3.41Å; S50-S52 PolarHBondContact OG-N 2.95Å; S50-S52 PolarHBondContact OG-O 3.38Å
51S93.1Very high89.5Confident68 Ų6860.8 Ų60.848%0.47632%0.323SS..SBendtrans-75.1-17.6170.256.50000113.2L27L27-S51 VanDerWaalsContact O-CB 3.26Å; L27-S51 WeakPolarHBondContact O-CB 3.4Å
52S92.1Very high89.8Confident75 Ų7560.9 Ų60.952%0.52432%0.323SS..SBendtrans-114.7151.4178.2-59.60000110.5S50S50-S52 VanDerWaalsContact C-N 3.26Å; S50-S52 VanDerWaalsContact CB-O 3.29Å; S50-S52 WeakPolarHBondContact CB-O 3.41Å; S50-S52 PolarHBondContact OG-N 2.95Å; S50-S52 PolarHBondContact OG-O 3.38Å
53S92.8Very high90.2Very high85 Ų8558.6 Ų58.659%0.59432%0.315SS*.  trans-60.7149.5174.1-175.40000111.6H39H39-S53 PolarHBondContact CD2-N 3.25Å; H39-S53 VanDerWaalsContact CD2-N 3.31Å
54F91.2Very high90.8Very high15 Ų1555 Ų557%0.06630%0.298CS..  trans-148.7157.2179.361.1-90.3000112.4H39 S41 I48 G56 A57H39-F54 HydrophobicContact CB-CD1 4.11Å; H39-F54 HydrophobicContact CB-CE1 3.87Å; S41-F54 WeakPolarHBondContact OG-CE2 3.41Å; I48-F54 HydrophobicContact CB-CZ 4.28Å; I48-F54 HydrophobicContact CG2-CE2 4.05Å; I48-F54 HydrophobicContact CG2-CZ 3.85Å; F54-G56 PolarHBondContact O-N 2.95Å; F54-A57 HydrophobicContact CD1-CB 3.78Å; F54-A57 HydrophobicContact CD2-CB 4.03Å; F54-A57 HydrophobicContact CE1-CB 3.72Å; F54-A57 HydrophobicContact CE2-CB 3.97Å; F54-A57 HydrophobicContact CG-CB 3.93Å; F54-A57 HydrophobicContact CZ-CB 3.82Å; F54-A57 VanDerWaalsContact O-CB 3.26Å; F54-A57 WeakPolarHBondContact O-CB 3.44Å; F54-A57 PolarHBondContact O-N 3.27Å
55P89.1Confident91.6Very high109 Ų10944.5 Ų44.571%0.70826%0.258SS*.THydrogen-bonded Turntrans-56.2122.3175.6-25.635.2000111.6
56G85.1Confident92.2Very high38 Ų3844.5 Ų44.539%0.39226%0.256SS..THydrogen-bonded Turntrans90.5-1.6-177.300000115.2S41 F54 L58S41-G56 WeakPolarHBondContact CB-O 2.87Å; F54-G56 PolarHBondContact O-N 2.95Å; G56-L58 PolarHBondContact O-N 2.67Å
57A86.6Confident92.3Very high23 Ų2346.2 Ų46.219%0.1927%0.272CS..  trans-70.596.3167.900000109.9H39 C40 F54H39-A57 HydrophobicContact CB-CB 3.98Å; C40-A57 WeakPolarHBondContact O-CA 3.21Å; F54-A57 HydrophobicContact CD1-CB 3.78Å; F54-A57 HydrophobicContact CD2-CB 4.03Å; F54-A57 HydrophobicContact CE1-CB 3.72Å; F54-A57 HydrophobicContact CE2-CB 3.97Å; F54-A57 HydrophobicContact CG-CB 3.93Å; F54-A57 HydrophobicContact CZ-CB 3.82Å; F54-A57 VanDerWaalsContact O-CB 3.26Å; F54-A57 WeakPolarHBondContact O-CB 3.44Å; F54-A57 PolarHBondContact O-N 3.27Å
58L80.6Confident92.3Very high149 Ų14947.7 Ų47.778%0.7828%0.279SS*.  trans-80.9-28.6-178-62.9177.3000112C40 G56C40-L58 PolarHBondContact O-N 3.36Å; G56-L58 PolarHBondContact O-N 2.67Å
59E88.6Confident92.2Very high98 Ų9847.6 Ų47.646%0.45828%0.278SS..EExtended strand (participates in β ladder)trans-128.3152.2-169.5-66.3-64.9168.600111.6C40 L61 L160C40-E59 PolarHBondContact N-O 2.93Å; C40-E59 PolarHBondContact O-N 2.84Å; C40-E59 VanDerWaalsContact SG-CB 3.58Å; E59-L61 HydrophobicContact CB-CG 4.32Å; E59-L160 HydrophobicContact CG-CD1 4.28Å
60R95.2Very high92.2Very high150 Ų15047.6 Ų47.657%0.56628%0.278SS*.EExtended strand (participates in β ladder)trans-126.1100.8172.6-169.6-176.1-179.1-150.1-2.5109.5I38I38-R60 CarbonylContact O-C 3.58Å; I38-R60 VanDerWaalsContact O-CA 3.26Å; I38-R60 WeakPolarHBondContact O-CA 3.24Å
61L96.4Very high92Very high9 Ų947.4 Ų47.45%0.04728%0.277CS..EExtended strand (participates in β ladder)trans-106.4145.2-170.7-62.7179.9000112.2Y37 I38 C40 E59 I63 L160 L163 L184Y37-L61 WeakPolarHBondContact CA-O 3.21Å; I38-L61 PolarHBondContact N-O 3.25Å; I38-L61 PolarHBondContact O-N 3.38Å; C40-L61 VanDerWaalsContact SG-CD1 3.55Å; E59-L61 HydrophobicContact CB-CG 4.32Å; L61-I63 PolarHBondContact O-N 3.16Å; L61-L160 HydrophobicContact CD1-CB 3.91Å; L61-L160 HydrophobicContact CD1-CD1 4.06Å; L61-L160 HydrophobicContact CD2-CB 3.86Å; L61-L163 HydrophobicContact CB-CD1 4.37Å; L61-L184 HydrophobicContact CD1-CD1 3.68Å
62P97.1Very high92Very high9 Ų945.2 Ų45.26%0.05826%0.263CS..EExtended strand (participates in β ladder)trans-66.6130.7167.628.5-32000109.6P35 W36 Y37 L161 G162 L163 F283 L287P35-P62 HydrophobicContact CB-CB 3.89Å; W36-P62 CarbonylContact O-C 3.55Å; W36-P62 VanDerWaalsContact O-CA 3.28Å; W36-P62 WeakPolarHBondContact O-CA 3.32Å; Y37-P62 HydrophobicContact CD1-CB 4.46Å; Y37-P62 HydrophobicContact CE1-CB 4.15Å; Y37-P62 HydrophobicContact CE1-CG 4.43Å; P62-L161 VanDerWaalsContact CD-O 3.25Å; P62-L161 WeakPolarHBondContact CD-O 3.39Å; P62-L161 VanDerWaalsContact CG-O 3.3Å; P62-L161 WeakPolarHBondContact CG-O 3.48Å; P62-G162 CarbonylContact O-C 3.53Å; P62-G162 VanDerWaalsContact O-CA 3.26Å; P62-G162 WeakPolarHBondContact O-CA 3.47Å; P62-L163 PolarHBondContact O-N 3.5Å; P62-F283 HydrophobicContact CB-CZ 4.43Å; P62-L287 HydrophobicContact CB-CD2 4.34Å; P62-L287 HydrophobicContact CG-CD1 3.99Å; P62-L287 HydrophobicContact CG-CD2 3.64Å; P62-L287 HydrophobicContact CG-CG 4.49Å
63I96.9Very high91.9Very high0 Ų043.2 Ų43.20%025%0.251CS..EExtended strand (participates in β ladder)trans-114.7136169.6-170174000109.5V23 L27 P35 W36 I38 L49 L61 L163 L182V23-I63 HydrophobicContact CG1-CD1 4.2Å; L27-I63 HydrophobicContact CD1-CD1 4.05Å; P35-I63 CarbonylContact C-O 3.54Å; P35-I63 VanDerWaalsContact CA-O 3.3Å; P35-I63 WeakPolarHBondContact CA-O 3.33Å; W36-I63 HydrophobicContact CB-CG2 4.41Å; W36-I63 HydrophobicContact CE3-CG2 4.38Å; W36-I63 PolarHBondContact N-O 2.82Å; W36-I63 WeakPolarHBondContact O-CG2 3.25Å; W36-I63 PolarHBondContact O-N 3.27Å; I38-I63 HydrophobicContact CB-CG2 4.32Å; I38-I63 HydrophobicContact CG1-CB 3.95Å; I38-I63 HydrophobicContact CG1-CG2 3.75Å; I38-I63 HydrophobicContact CG2-CG2 3.58Å; L49-I63 HydrophobicContact CD1-CD1 4.4Å; L61-I63 PolarHBondContact O-N 3.16Å; I63-L163 CarbonylContact C-O 3.5Å; I63-L163 VanDerWaalsContact CA-O 3.27Å; I63-L163 WeakPolarHBondContact CA-O 3.45Å; I63-L163 HydrophobicContact CB-CB 3.92Å; I63-L163 HydrophobicContact CD1-CB 4.19Å; I63-L163 HydrophobicContact CG1-CB 3.69Å; I63-L182 HydrophobicContact CD1-CD1 3.9Å; I63-L182 HydrophobicContact CG1-CD1 4.44Å
64Q95.8Very high91.7Very high7 Ų740.8 Ų40.83%0.03323%0.231CC..EExtended strand (participates in β ladder)trans-140.5156.3178.1-165.2174.8-34.100110.7P33 P35 L163 W164 E165 F283P33-Q64 WeakPolarHBondContact O-CG 3.48Å; P35-Q64 HydrophobicContact CB-CB 4.38Å; Q64-L163 PolarHBondContact N-O 3.3Å; Q64-W164 HydrophobicContact CB-CE3 3.83Å; Q64-W164 HydrophobicContact CB-CZ3 3.76Å; Q64-W164 HydrophobicContact CG-CE3 4.26Å; Q64-W164 HydrophobicContact CG-CZ3 3.66Å; Q64-W164 WeakPolarHBondContact O-CA 3.34Å; Q64-E165 PolarHBondContact O-N 3.37Å; Q64-F283 HydrophobicContact CB-CD2 3.93Å; Q64-F283 HydrophobicContact CB-CE2 3.58Å; Q64-F283 HydrophobicContact CB-CZ 3.88Å; Q64-F283 HydrophobicContact CG-CD2 4.41Å; Q64-F283 HydrophobicContact CG-CE2 4.4Å; Q64-F283 VanDerWaalsContact OE1-CE2 3.27Å
65R94.8Very high91.3Very high15 Ų1543.4 Ų43.46%0.05726%0.262CS..  trans-126.5158.7170.165.7-179.3175.3-113.1-11.3109.2C24 G30 G32 P33 C69 E165C24-R65 HydrophobicContact CB-CG 4.49Å; G30-R65 PolarHBondContact O-NH2 3.32Å; G32-R65 PolarHBondContact O-NH2 3.2Å; P33-R65 VanDerWaalsContact CB-O 3.27Å; P33-R65 WeakPolarHBondContact CB-O 3.29Å; P33-R65 PolarHBondContact O-N 2.95Å; R65-C69 HydrophobicContact CB-CB 4.22Å; R65-C69 HydrophobicContact CG-CB 4.23Å; R65-E165 HydrophobicContact CB-CB 3.95Å
66P93.8Very high90.9Very high10 Ų1043.9 Ų43.97%0.06526%0.255CS..  trans-66.5150.6173.625.4-29.8000110.6F68 C69 W164 E165 T279P66-F68 HydrophobicContact CB-CD1 4.21Å; P66-F68 HydrophobicContact CB-CD2 3.78Å; P66-F68 HydrophobicContact CB-CE1 3.93Å; P66-F68 HydrophobicContact CB-CE2 3.47Å; P66-F68 VanDerWaalsContact CB-CE2 3.47Å; P66-F68 HydrophobicContact CB-CG 4.17Å; P66-F68 HydrophobicContact CB-CZ 3.56Å; P66-F68 HydrophobicContact CG-CD2 4.08Å; P66-F68 HydrophobicContact CG-CE2 3.85Å; P66-F68 HydrophobicContact CG-CZ 4.4Å; P66-F68 PolarHBondContact O-N 3.02Å; P66-F68 VanDerWaalsContact O-N 3.1Å; P66-C69 HydrophobicContact CG-CB 4.08Å; P66-C69 VanDerWaalsContact O-CB 3.22Å; P66-C69 WeakPolarHBondContact O-CB 3.35Å; P66-C69 PolarHBondContact O-N 3.3Å; P66-W164 HydrophobicContact CB-CH2 4.08Å; P66-W164 HydrophobicContact CB-CZ2 3.77Å; P66-W164 HydrophobicContact CG-CZ2 3.93Å; P66-E165 WeakPolarHBondContact CD-O 3.26Å; P66-T279 HydrophobicContact CB-CG2 4.35Å
67P91.3Very high90.2Very high91 Ų9148.4 Ų48.459%0.59127%0.266SS*.THydrogen-bonded Turntrans-60.9-22176.524.7-33.5000112.7
68F92.1Very high88.6Confident38 Ų3853.2 Ų53.217%0.16730%0.295CS..THydrogen-bonded Turntrans-97.318.6176.850.9-101000113.7P66 P170 R171 E226 T267 T279P66-F68 HydrophobicContact CB-CD1 4.21Å; P66-F68 HydrophobicContact CB-CD2 3.78Å; P66-F68 HydrophobicContact CB-CE1 3.93Å; P66-F68 HydrophobicContact CB-CE2 3.47Å; P66-F68 VanDerWaalsContact CB-CE2 3.47Å; P66-F68 HydrophobicContact CB-CG 4.17Å; P66-F68 HydrophobicContact CB-CZ 3.56Å; P66-F68 HydrophobicContact CG-CD2 4.08Å; P66-F68 HydrophobicContact CG-CE2 3.85Å; P66-F68 HydrophobicContact CG-CZ 4.4Å; P66-F68 PolarHBondContact O-N 3.02Å; P66-F68 VanDerWaalsContact O-N 3.1Å; F68-P170 WeakPolarHBondContact CD2-O 3.47Å; F68-P170 HydrophobicContact CE2-CB 4.14Å; F68-R171 HydrophobicContact CB-CB 4.15Å; F68-R171 HydrophobicContact CD2-CB 4.01Å; F68-R171 HydrophobicContact CG-CB 4.44Å; F68-R171 VanDerWaalsContact CG-NH2 3.33Å; F68-E226 WeakPolarHBondContact CE1-OE1 3.17Å; F68-T267 HydrophobicContact CZ-CG2 4.17Å; F68-T279 HydrophobicContact CZ-CG2 4.39Å
69C93.9Very high87.4Confident4 Ų449.9 Ų49.93%0.02730%0.297CS..  trans-54.4121.9-179176.40000111.8R65 P66 F71 A72 A73R65-C69 HydrophobicContact CB-CB 4.22Å; R65-C69 HydrophobicContact CG-CB 4.23Å; P66-C69 HydrophobicContact CG-CB 4.08Å; P66-C69 VanDerWaalsContact O-CB 3.22Å; P66-C69 WeakPolarHBondContact O-CB 3.35Å; P66-C69 PolarHBondContact O-N 3.3Å; C69-F71 PolarHBondContact O-N 3.11Å; C69-A72 HydrophobicContact CB-CB 4.08Å; C69-A72 PolarHBondContact O-N 3Å; C69-A73 PolarHBondContact O-N 2.83Å
70P93.7Very high85.4Confident1 Ų148.5 Ų48.51%0.00631%0.309CS..Hα-helixtrans-68.3-34.9-176.226.4-33.4000112.1A73 L74 A167 P170 L172 P177P70-A73 PolarHBondContact O-N 2.82Å; P70-L74 WeakPolarHBondContact O-CB 3.23Å; P70-L74 WeakPolarHBondContact O-CD1 3.4Å; P70-L74 WeakPolarHBondContact O-CG 3.39Å; P70-L74 PolarHBondContact O-N 2.9Å; P70-A167 HydrophobicContact CG-CB 3.42Å; P70-A167 VanDerWaalsContact CG-CB 3.42Å; P70-P170 WeakPolarHBondContact CD-O 3.25Å; P70-L172 HydrophobicContact CB-CD2 3.55Å; P70-L172 HydrophobicContact CB-CG 3.81Å; P70-P177 HydrophobicContact CB-CB 4.5Å; P70-P177 HydrophobicContact CB-CG 4.14Å; P70-P177 HydrophobicContact CG-CB 4.04Å; P70-P177 HydrophobicContact CG-CG 4.16Å
71F93Very high83.2Confident1 Ų146 Ų460%0.00432%0.315CS..Hα-helixtrans-68.2-35.7179.9-52.4-64.4000112.3F19 C69 G75 A167 P177 H180F19-F71 HydrophobicContact CE1-CE1 4.2Å; F19-F71 HydrophobicContact CZ-CE1 4.34Å; F19-F71 HydrophobicContact CZ-CZ 4.41Å; F19-F71 VanDerWaalsContact O-CE1 3.31Å; F19-F71 WeakPolarHBondContact O-CE1 3.36Å; C69-F71 PolarHBondContact O-N 3.11Å; F71-G75 PolarHBondContact O-N 3Å; F71-G75 VanDerWaalsContact O-N 3.07Å; F71-A167 HydrophobicContact CD2-CB 4.23Å; F71-A167 HydrophobicContact CE2-CB 3.44Å; F71-A167 VanDerWaalsContact CE2-CB 3.44Å; F71-A167 HydrophobicContact CZ-CB 3.97Å; F71-P177 HydrophobicContact CD1-CG 4.12Å; F71-P177 HydrophobicContact CE1-CB 3.7Å; F71-P177 HydrophobicContact CE1-CG 3.45Å; F71-P177 VanDerWaalsContact CE1-CG 3.45Å; F71-P177 HydrophobicContact CE2-CB 4.49Å; F71-P177 HydrophobicContact CZ-CB 3.57Å; F71-P177 HydrophobicContact CZ-CG 3.89Å; F71-H180 AromaticContact CD1-ND1 3.88Å; F71-H180 AromaticContact CD2-CD2 3.9Å; F71-H180 AromaticContact CD2-CE1 3.45Å; F71-H180 VanDerWaalsContact CD2-CE1 3.45Å; F71-H180 WeakPolarHBondContact CD2-CE1 3.27Å; F71-H180 AromaticContact CD2-CG 3.91Å; F71-H180 AromaticContact CD2-ND1 3.63Å; F71-H180 AromaticContact CD2-NE2 3.65Å; F71-H180 HydrophobicContact CE1-CB 4.23Å; F71-H180 AromaticContact CE1-ND1 3.67Å; F71-H180 HydrophobicContact CE2-CB 3.74Å; F71-H180 AromaticContact CE2-CD2 3.47Å; F71-H180 VanDerWaalsContact CE2-CD2 3.47Å; F71-H180 WeakPolarHBondContact CE2-CD2 3.12Å; F71-H180 AromaticContact CE2-CE1 3.66Å; F71-H180 AromaticContact CE2-CG 3.27Å; F71-H180 AromaticContact CE2-ND1 3.39Å; F71-H180 WeakPolarHBondContact CE2-ND1 3.46Å; F71-H180 AromaticContact CE2-NE2 3.73Å; F71-H180 AromaticContact CG-CE1 3.75Å; F71-H180 AromaticContact CG-ND1 3.88Å; F71-H180 HydrophobicContact CZ-CB 3.43Å; F71-H180 VanDerWaalsContact CZ-CB 3.43Å; F71-H180 AromaticContact CZ-CG 3.39Å; F71-H180 AromaticContact CZ-ND1 3.43Å; F71-H180 WeakPolarHBondContact CZ-ND1 3.1Å
72A92.1Very high81.1Confident22 Ų2254.1 Ų54.118%0.18235%0.345CS..Hα-helixtrans-66.3-45.5172.800000111.2C69 L74 G75 Q76C69-A72 HydrophobicContact CB-CB 4.08Å; C69-A72 PolarHBondContact O-N 3Å; A72-L74 PolarHBondContact O-N 2.91Å; A72-G75 PolarHBondContact O-N 2.81Å; A72-Q76 PolarHBondContact O-N 3.44Å
73A90.6Very high79.3Confident34 Ų3458.1 Ų58.128%0.28136%0.364SS..Hα-helixtrans-62.6-41.9178.300000112.6C69 P70 Q76 L172C69-A73 PolarHBondContact O-N 2.83Å; P70-A73 PolarHBondContact O-N 2.82Å; A73-Q76 PolarHBondContact O-N 3.42Å; A73-L172 HydrophobicContact CB-CD1 3.77Å
74L88.5Confident77.8Confident34 Ų3467.2 Ų67.218%0.17841%0.406CS..Hα-helixtrans-66.6-36.9176.9-71.3166.8000112.3P70 A72 Q76 Q77 M83 L85 L172 P177P70-L74 WeakPolarHBondContact O-CB 3.23Å; P70-L74 WeakPolarHBondContact O-CD1 3.4Å; P70-L74 WeakPolarHBondContact O-CG 3.39Å; P70-L74 PolarHBondContact O-N 2.9Å; A72-L74 PolarHBondContact O-N 2.91Å; L74-Q76 PolarHBondContact O-N 3.3Å; L74-Q77 PolarHBondContact O-N 3.19Å; L74-M83 HydrophobicContact CD2-SD 4.28Å; L74-L85 HydrophobicContact CD1-CD1 3.59Å; L74-L172 HydrophobicContact CD1-CD2 4.11Å; L74-L172 HydrophobicContact CD2-CD1 4.34Å; L74-L172 HydrophobicContact CD2-CD2 4.26Å; L74-L172 HydrophobicContact CG-CD1 4.26Å; L74-L172 HydrophobicContact CG-CD2 4.08Å; L74-P177 HydrophobicContact CD1-CG 4.42Å
75G82.8Confident76.8Confident69 Ų6967.8 Ų67.871%0.71141%0.409SS*.Hα-helixtrans-65.8-19.5177.100000114.5F71 A72F71-G75 PolarHBondContact O-N 3Å; F71-G75 VanDerWaalsContact O-N 3.07Å; A72-G75 PolarHBondContact O-N 2.81Å
76Q79.3Confident75.7Confident120 Ų12069.2 Ų69.256%0.56142%0.42SS*.THydrogen-bonded Turntrans-91.9-9.1179.1-69.1-179.8-5.600113.9A72 A73 L74 P78A72-Q76 PolarHBondContact O-N 3.44Å; A73-Q76 PolarHBondContact O-N 3.42Å; L74-Q76 PolarHBondContact O-N 3.3Å; Q76-P78 WeakPolarHBondContact O-CD 3.31Å
77Q71.3Confident74.6Confident133 Ų13372.9 Ų72.962%0.62144%0.443SS*.  trans-74.3119.7-177.2-67.2-65.4-37.800111.3L74L74-Q77 PolarHBondContact O-N 3.19Å
78P52.5Low73.6Confident123 Ų12375 Ų7580%0.79945%0.449SS*.THydrogen-bonded Turntrans-71137.7176.725-27000110.8Q76Q76-P78 WeakPolarHBondContact O-CD 3.31Å
79G54.9Low73.1Confident80 Ų8077.7 Ų77.783%0.82546%0.458SS*.THydrogen-bonded Turntrans97.820.8170.200000116.7S81G79-S81 PolarHBondContact O-N 3.12Å
80G48.1Very low72.8Confident69 Ų6979.3 Ų79.371%0.71148%0.476SS*.  trans59.222.5156.800000115.6R82G80-R82 PolarHBondContact O-N 3.1Å
81S47.5Very low72.8Confident98 Ų9879.8 Ų79.869%0.68548%0.479SS*.  trans-67.774.9159.9-169.40000106.6G79 M83G79-S81 PolarHBondContact O-N 3.12Å; S81-M83 PolarHBondContact O-N 3.27Å
82R54.2Low72.8Confident179 Ų17983.6 Ų83.668%0.67550%0.496SS*.  trans-60.578.4153.6-91.5176146170.6-6.6104.1G80 E84G80-R82 PolarHBondContact O-N 3.1Å; R82-E84 PolarHBondContact O-N 3.49Å
83M57.8Low72.9Confident93 Ų9382.8 Ų82.846%0.45849%0.489SS..  trans-40.4132.6157-64.1-178.377.700105.7L74 S81 L85 L176L74-M83 HydrophobicContact CD2-SD 4.28Å; S81-M83 PolarHBondContact O-N 3.27Å; M83-L85 PolarHBondContact O-N 3.22Å; M83-L176 HydrophobicContact CB-CD1 4.16Å; M83-L176 HydrophobicContact CB-CD2 4.25Å; M83-L176 HydrophobicContact CE-CD1 4.05Å; M83-L176 HydrophobicContact CE-CD2 3.7Å; M83-L176 HydrophobicContact CE-CG 4.1Å; M83-L176 HydrophobicContact SD-CD2 3.83Å
84E66.7Low73.2Confident190 Ų19081.2 Ų81.289%0.88848%0.476SS*.SBendtrans-58.165.4-164.5-62.8179.8161.900113.7R82R82-E84 PolarHBondContact O-N 3.49Å
85L73.3Confident73.6Confident20 Ų2079.6 Ų79.611%0.10547%0.468CS..  trans-79.2139.2174.6-69.6-176.4000107.5F19 A20 L74 M83 T87 L176 P177F19-L85 HydrophobicContact CD1-CB 4.25Å; F19-L85 HydrophobicContact CE1-CB 4.33Å; F19-L85 HydrophobicContact CE1-CD2 4.22Å; A20-L85 HydrophobicContact CB-CB 4.2Å; A20-L85 HydrophobicContact CB-CD1 3.89Å; L74-L85 HydrophobicContact CD1-CD1 3.59Å; M83-L85 PolarHBondContact O-N 3.22Å; L85-T87 PolarHBondContact O-N 3.31Å; L85-L176 HydrophobicContact CD2-CB 4.04Å; L85-L176 HydrophobicContact CD2-CD1 4.25Å; L85-L176 HydrophobicContact CD2-CD2 4.31Å; L85-L176 HydrophobicContact CD2-CG 4.45Å; L85-P177 HydrophobicContact CD1-CG 4.35Å; L85-P177 HydrophobicContact CD2-CG 4.14Å
86P72.4Confident74.4Confident44 Ų4476.5 Ų76.529%0.28644%0.435SS..  trans-54.9118.8178.9-2938000111.1F19 R89F19-P86 WeakPolarHBondContact CB-O 3.47Å; P86-R89 HydrophobicContact CB-CG 4.4Å
87T70Confident75.3Confident88 Ų8870.8 Ų70.854%0.5441%0.409SS..SBendtrans-88.7-13.4177.453.50000112.5N18 L85 R89N18-T87 PolarHBondContact ND2-O 2.9Å; N18-T87 VanDerWaalsContact ND2-O 3.11Å; L85-T87 PolarHBondContact O-N 3.31Å; T87-R89 VanDerWaalsContact C-N 3.35Å
88N70.8Confident76.6Confident136 Ų13664.4 Ų64.473%0.72738%0.379SS*.SBendtrans-90.79.7-178.467.8-17.3000113.9
89R81.6Confident78.8Confident93 Ų9358.6 Ų58.635%0.35134%0.341SS..  trans-121.3152.8177.3-62.7-169.3-59.2163.78.7110.4F19 P86 T87 R178F19-R89 HydrophobicContact CB-CB 4.28Å; F19-R89 WeakPolarHBondContact CB-O 3.18Å; F19-R89 HydrophobicContact CD2-CB 4.41Å; F19-R89 PolarHBondContact N-O 3.17Å; F19-R89 VanDerWaalsContact N-O 3.08Å; P86-R89 HydrophobicContact CB-CG 4.4Å; T87-R89 VanDerWaalsContact C-N 3.35Å; R89-R178 VanDerWaalsContact CZ-O 3.31Å; R89-R178 PolarHBondContact NH1-O 3.45Å; R89-R178 VanDerWaalsContact NH1-O 3.1Å; R89-R178 PolarHBondContact NH2-O 2.91Å
90G87.9Confident80.9Confident38 Ų3855.4 Ų55.439%0.39231%0.305SS..BIsolated β-bridgetrans-102.4-168.8173.900000111.9
91V92.8Very high83.3Confident12 Ų1252.1 Ų52.17%0.07327%0.271CS..  trans-88127.2168.4-176.60000108.7L6 V17 V23 L182L6-V91 HydrophobicContact CD2-CB 3.89Å; L6-V91 HydrophobicContact CD2-CG1 3.88Å; L6-V91 HydrophobicContact CD2-CG2 4.43Å; V17-V91 HydrophobicContact CB-CG2 3.89Å; V17-V91 HydrophobicContact CG1-CG2 3.64Å; V23-V91 HydrophobicContact CG2-CG1 4.18Å; V23-V91 HydrophobicContact CG2-CG2 3.96Å; V91-L182 HydrophobicContact CG1-CB 4.11Å
92E93.5Very high85.7Confident80 Ų8050.3 Ų50.337%0.37426%0.258SS..EExtended strand (participates in β ladder)trans-82.4143.5176.8-73.1167.116300109.8H128 H180 H181 L182E92-H128 IonicContact OE2-CE1 2.94Å; E92-H128 IonicContact OE2-NE2 3.84Å; E92-H180 PolarHBondContact N-O 3.45Å; E92-H181 CarbonylContact O-C 3.49Å; E92-H181 VanDerWaalsContact O-CA 3.24Å; E92-H181 WeakPolarHBondContact O-CA 2.98Å; E92-H181 IonicContact OE2-CD2 3.55Å; E92-H181 PolarHBondContact OE2-CD2 2.94Å; E92-H181 IonicContact OE2-NE2 3.74Å; E92-H181 PolarHBondContact OE2-NE2 3.28Å; E92-L182 PolarHBondContact O-N 2.78Å
93V94.8Very high87.8Confident6 Ų646 Ų464%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-105130.6177.6-177.30000108.5R5 L6 L47 M129 L182R5-V93 HydrophobicContact CB-CG2 4.12Å; L6-V93 HydrophobicContact CB-CG2 3.96Å; L47-V93 HydrophobicContact CD2-CG1 4.3Å; V93-M129 HydrophobicContact CB-SD 4.5Å; V93-M129 HydrophobicContact CG1-CG 4.47Å; V93-M129 HydrophobicContact CG1-SD 3.8Å; V93-M129 PolarHBondContact O-N 2.92Å; V93-M129 VanDerWaalsContact O-N 3.14Å; V93-L182 WeakPolarHBondContact CA-O 3.08Å
94G95.9Very high89.7Confident0 Ų045.4 Ų45.40%025%0.245CC..EExtended strand (participates in β ladder)trans-125.6159.1174.300000111.7G127 L182 F183 L184G94-G127 CarbonylContact C-O 3.59Å; G94-G127 WeakPolarHBondContact CA-O 3.32Å; G94-L182 PolarHBondContact N-O 2.83Å; G94-L182 VanDerWaalsContact N-O 3.07Å; G94-F183 CarbonylContact O-C 3.56Å; G94-F183 WeakPolarHBondContact O-CA 3.26Å; G94-L184 PolarHBondContact O-N 3.04Å
95V97.7Very high91.2Very high0 Ų036.7 Ų36.70%020%0.204CC..EExtended strand (participates in β ladder)trans-120.4139.3174.1-178.80000108.4G126 G127 M129 I135 C138 L184 V186V95-G126 CarbonylContact O-C 3.42Å; V95-G126 WeakPolarHBondContact O-CA 3.31Å; V95-G127 PolarHBondContact N-O 3.41Å; V95-G127 PolarHBondContact O-N 3.41Å; V95-M129 HydrophobicContact CG2-CE 4.36Å; V95-M129 HydrophobicContact CG2-CG 3.76Å; V95-M129 HydrophobicContact CG2-SD 3.75Å; V95-I135 HydrophobicContact CG1-CG2 4.36Å; V95-I135 HydrophobicContact CG2-CG2 4.18Å; V95-C138 HydrophobicContact CB-CB 4.16Å; V95-C138 HydrophobicContact CG2-CB 4Å; V95-L184 WeakPolarHBondContact CA-O 3.49Å; V95-V186 HydrophobicContact CG1-CG2 3.74Å
96A98.6Very high92.4Very high4 Ų435.7 Ų35.73%0.03320%0.199CC..EExtended strand (participates in β ladder)trans-133.3138174.800000110.8P124 P125 F183 L184 F185 V186A96-P124 HydrophobicContact CB-CB 4.45Å; A96-P124 HydrophobicContact CB-CG 3.94Å; A96-P125 CarbonylContact C-O 3.46Å; A96-P125 WeakPolarHBondContact CA-O 3.39Å; A96-F183 HydrophobicContact CB-CD1 4.24Å; A96-L184 PolarHBondContact N-O 2.88Å; A96-F185 HydrophobicContact CB-CD1 3.67Å; A96-F185 HydrophobicContact CB-CE1 3.61Å; A96-F185 WeakPolarHBondContact O-CA 3.33Å; A96-V186 PolarHBondContact O-N 3.35Å
97V98.8Very high93.7Very high0 Ų033.6 Ų33.60%019%0.186CC..EExtended strand (participates in β ladder)trans-103.3118.5-170.6176.90000111L99 P124 P125 G139 V186 V188V97-L99 HydrophobicContact CG1-CB 4.15Å; V97-L99 PolarHBondContact O-N 3.3Å; V97-P124 WeakPolarHBondContact O-CB 3.47Å; V97-P125 PolarHBondContact N-O 2.82Å; V97-G139 VanDerWaalsContact CG2-CA 3.41Å; V97-G139 VanDerWaalsContact CG2-O 3.28Å; V97-G139 WeakPolarHBondContact CG2-O 3.49Å; V97-V186 WeakPolarHBondContact CA-O 3.49Å; V97-V188 HydrophobicContact CG1-CB 3.85Å; V97-V188 HydrophobicContact CG1-CG2 3.62Å
98I98.8Very high95.1Very high0 Ų029.4 Ų29.40%016%0.16CC..EExtended strand (participates in β ladder)trans-83.394.6160.6-58.4-65.1000106.7Q100 V106 P124 L161 V186 L187 V188 A284 W288I98-Q100 PolarHBondContact O-N 3.07Å; I98-V106 HydrophobicContact CG2-CB 4.03Å; I98-V106 HydrophobicContact CG2-CG1 3.54Å; I98-P124 HydrophobicContact CD1-CB 3.98Å; I98-P124 HydrophobicContact CD1-CG 4.16Å; I98-L161 HydrophobicContact CB-CD1 4.19Å; I98-L161 HydrophobicContact CG1-CD1 3.85Å; I98-V186 PolarHBondContact N-O 3.02Å; I98-L187 HydrophobicContact CB-CD1 4.21Å; I98-L187 HydrophobicContact CG2-CD1 3.84Å; I98-L187 WeakPolarHBondContact O-CA 3.04Å; I98-L187 WeakPolarHBondContact O-CD1 3.46Å; I98-V188 PolarHBondContact O-N 2.93Å; I98-A284 HydrophobicContact CD1-CB 3.7Å; I98-A284 HydrophobicContact CG1-CB 3.96Å; I98-W288 HydrophobicContact CG2-CB 4.19Å; I98-W288 HydrophobicContact CG2-CG 4.1Å
99L98.8Very high96.4Very high0 Ų023 Ų230%013%0.125CC..EExtended strand (participates in β ladder)trans-82110.2176.8176.161.9000109.3V97 V106 L107 L143 L149 L151 V188 L197 W213V97-L99 HydrophobicContact CG1-CB 4.15Å; V97-L99 PolarHBondContact O-N 3.3Å; L99-V106 VanDerWaalsContact O-CA 3.25Å; L99-V106 WeakPolarHBondContact O-CA 3.26Å; L99-L107 HydrophobicContact CB-CB 4.24Å; L99-L107 HydrophobicContact CD2-CD2 4.12Å; L99-L107 PolarHBondContact O-N 2.82Å; L99-L107 VanDerWaalsContact O-N 3.12Å; L99-L143 HydrophobicContact CD2-CD1 4.09Å; L99-L143 HydrophobicContact CD2-CD2 4.17Å; L99-L149 HydrophobicContact CD2-CD1 3.7Å; L99-L151 HydrophobicContact CD1-CD1 3.8Å; L99-V188 HydrophobicContact CD1-CB 4.31Å; L99-V188 HydrophobicContact CD1-CG1 4.05Å; L99-L197 HydrophobicContact CD2-CD1 4.47Å; L99-W213 HydrophobicContact CD2-CH2 4.06Å; L99-W213 HydrophobicContact CG-CH2 4.29Å
100Q98.8Very high97.1Very high14 Ų1419.3 Ų19.37%0.06511%0.111CC..EExtended strand (participates in β ladder)trans-96.4131175.3-169.4-165.3-72.400110.6I98 T105 V106 L187 V188 S190 W288I98-Q100 PolarHBondContact O-N 3.07Å; Q100-T105 CarbonylContact C-O 3.58Å; Q100-T105 WeakPolarHBondContact CA-O 3.28Å; Q100-V106 HydrophobicContact CB-CG1 4.07Å; Q100-V106 HydrophobicContact CG-CG1 4.26Å; Q100-L187 HydrophobicContact CB-CD1 3.9Å; Q100-V188 PolarHBondContact N-O 2.78Å; Q100-S190 PolarHBondContact O-N 2.82Å; Q100-W288 HydrophobicContact CG-CZ2 4.43Å
101S98.7Very high97.5Very high0 Ų019.8 Ų19.80%010%0.101CC..  trans-79.2169.617069.40000112.2D103 Q104 T105S101-D103 PolarHBondContact O-N 3.37Å; S101-D103 PolarHBondContact OG-N 3.07Å; S101-Q104 PolarHBondContact O-N 2.98Å; S101-Q104 VanDerWaalsContact O-N 3.13Å; S101-T105 PolarHBondContact N-O 2.96Å; S101-T105 PolarHBondContact OG-N 3.28Å; S101-T105 PolarHBondContact OG-O 2.83Å; S101-T105 PolarHBondContact OG-OG1 2.83Å
102S98.2Very high97.6Very high60 Ų6019.4 Ų19.442%0.4210%0.099SC..THydrogen-bonded Turntrans-62-19.9169.768.50000113Q104 S190 E192 S193S102-Q104 PolarHBondContact O-N 2.95Å; S102-S190 PolarHBondContact N-O 3.17Å; S102-E192 PolarHBondContact N-O 3.48Å; S102-E192 PolarHBondContact OG-O 3.44Å; S102-S193 WeakPolarHBondContact OG-CA 3.36Å; S102-S193 PolarHBondContact OG-N 3.38Å
103D98.1Very high97.5Very high88 Ų8819.6 Ų19.647%0.47111%0.109SC..THydrogen-bonded Turntrans-85.16.4179.1-51.5-41000112.5S101 T105 S193 Q194S101-D103 PolarHBondContact O-N 3.37Å; S101-D103 PolarHBondContact OG-N 3.07Å; D103-T105 VanDerWaalsContact C-N 3.28Å; D103-T105 PolarHBondContact O-N 3.41Å; D103-S193 WeakPolarHBondContact OD2-CB 3.29Å; D103-Q194 WeakPolarHBondContact OD2-CB 3.49Å; D103-Q194 PolarHBondContact OD2-N 3.34Å
104Q98Very high97.3Very high81 Ų8124.8 Ų24.838%0.37914%0.14SC..SBendtrans59.334.7-176.3-57.3178.530.900113.6S101 S102 P216 W288S101-Q104 PolarHBondContact O-N 2.98Å; S101-Q104 VanDerWaalsContact O-N 3.13Å; S102-Q104 PolarHBondContact O-N 2.95Å; Q104-P216 HydrophobicContact CB-CG 4.47Å; Q104-P216 WeakPolarHBondContact O-CD 3.25Å; Q104-P216 WeakPolarHBondContact O-CG 3.46Å; Q104-W288 WeakPolarHBondContact O-CH2 3.47Å; Q104-W288 VanDerWaalsContact O-CZ2 3.27Å; Q104-W288 WeakPolarHBondContact O-CZ2 3.19Å
105T98.4Very high97Very high6 Ų626.4 Ų26.44%0.03715%0.149CC..  trans-107.9151.6170.162.80000110.8Q100 S101 D103 Q194 L214 E215Q100-T105 CarbonylContact C-O 3.58Å; Q100-T105 WeakPolarHBondContact CA-O 3.28Å; S101-T105 PolarHBondContact N-O 2.96Å; S101-T105 PolarHBondContact OG-N 3.28Å; S101-T105 PolarHBondContact OG-O 2.83Å; S101-T105 PolarHBondContact OG-OG1 2.83Å; D103-T105 VanDerWaalsContact C-N 3.28Å; D103-T105 PolarHBondContact O-N 3.41Å; T105-Q194 VanDerWaalsContact CB-OE1 3.27Å; T105-Q194 VanDerWaalsContact CG2-OE1 3.27Å; T105-Q194 PolarHBondContact OG1-OE1 3.32Å; T105-L214 CarbonylContact C-O 3.56Å; T105-L214 WeakPolarHBondContact CA-O 3Å; T105-L214 WeakPolarHBondContact CB-O 3.31Å; T105-E215 HydrophobicContact CG2-CG 3.92Å
106V98.7Very high96.5Very high0 Ų037.4 Ų37.40%019%0.19CC..EExtended strand (participates in β ladder)trans-120.1140.1-178.5-67.10000113.5I98 L99 Q100 W213 L214 L285 W288I98-V106 HydrophobicContact CG2-CB 4.03Å; I98-V106 HydrophobicContact CG2-CG1 3.54Å; L99-V106 VanDerWaalsContact O-CA 3.25Å; L99-V106 WeakPolarHBondContact O-CA 3.26Å; Q100-V106 HydrophobicContact CB-CG1 4.07Å; Q100-V106 HydrophobicContact CG-CG1 4.26Å; V106-W213 CarbonylContact O-C 3.6Å; V106-W213 WeakPolarHBondContact O-CA 3.34Å; V106-L214 HydrophobicContact CG2-CB 3.99Å; V106-L214 PolarHBondContact N-O 3.42Å; V106-L214 PolarHBondContact O-N 3.45Å; V106-L285 HydrophobicContact CG2-CD2 3.58Å; V106-W288 HydrophobicContact CB-CH2 4.49Å; V106-W288 HydrophobicContact CG1-CD2 3.66Å; V106-W288 HydrophobicContact CG1-CE3 4.06Å; V106-W288 HydrophobicContact CG1-CG 4.2Å; V106-W288 HydrophobicContact CG1-CH2 3.9Å; V106-W288 HydrophobicContact CG1-CZ2 3.5Å; V106-W288 VanDerWaalsContact CG1-CZ2 3.5Å; V106-W288 HydrophobicContact CG1-CZ3 4.15Å; V106-W288 HydrophobicContact CG2-CD2 4.37Å; V106-W288 HydrophobicContact CG2-CE3 3.91Å; V106-W288 HydrophobicContact CG2-CH2 3.94Å; V106-W288 HydrophobicContact CG2-CZ2 4.42Å; V106-W288 HydrophobicContact CG2-CZ3 3.67Å
107L98.8Very high96Very high0 Ų040 Ų400%020%0.203CC..EExtended strand (participates in β ladder)trans-79.9132.3-179.2-176.864.9000111.9L99 P125 L143 L149 I201 F211 M212 W213L99-L107 HydrophobicContact CB-CB 4.24Å; L99-L107 HydrophobicContact CD2-CD2 4.12Å; L99-L107 PolarHBondContact O-N 2.82Å; L99-L107 VanDerWaalsContact O-N 3.12Å; L107-P125 HydrophobicContact CD2-CG 4.24Å; L107-L143 HydrophobicContact CD2-CD1 4.33Å; L107-L149 HydrophobicContact CD2-CD1 4.2Å; L107-I201 HydrophobicContact CD1-CD1 4.11Å; L107-I201 HydrophobicContact CD2-CD1 4.45Å; L107-F211 HydrophobicContact CD1-CB 4.07Å; L107-F211 HydrophobicContact CD1-CD2 4.03Å; L107-F211 HydrophobicContact CD1-CG 4.44Å; L107-M212 WeakPolarHBondContact CA-O 3.43Å; L107-W213 HydrophobicContact CB-CD2 4.45Å; L107-W213 HydrophobicContact CB-CE3 4.18Å; L107-W213 HydrophobicContact CB-CH2 3.98Å; L107-W213 HydrophobicContact CB-CZ2 4.28Å; L107-W213 HydrophobicContact CB-CZ3 3.94Å; L107-W213 HydrophobicContact CD1-CD2 4.38Å; L107-W213 HydrophobicContact CD1-CZ2 4.14Å
108L98.6Very high95.5Very high0 Ų041.5 Ų41.50%021%0.214CC..EExtended strand (participates in β ladder)trans-123.3146.6161.9-63.7-176.8000110.4W122 V123 P124 F211 M212 L214 V277L108-W122 HydrophobicContact CB-CE3 4.17Å; L108-W122 HydrophobicContact CD1-CB 4.48Å; L108-V123 CarbonylContact C-O 3.44Å; L108-V123 WeakPolarHBondContact CA-O 3.3Å; L108-P124 HydrophobicContact CD2-CB 4.37Å; L108-F211 CarbonylContact O-C 3.56Å; L108-F211 WeakPolarHBondContact O-CA 3.26Å; L108-F211 WeakPolarHBondContact O-CB 3.28Å; L108-M212 HydrophobicContact CB-CG 4.15Å; L108-M212 PolarHBondContact N-O 3.42Å; L108-M212 PolarHBondContact O-N 3.31Å; L108-L214 HydrophobicContact CD1-CD1 3.43Å; L108-L214 VanDerWaalsContact CD1-CD1 3.43Å; L108-L214 HydrophobicContact CD1-CG 4.19Å; L108-L214 HydrophobicContact CG-CD1 4.12Å; L108-V277 HydrophobicContact CD1-CG1 4.38Å
109T98.4Very high95.2Very high0 Ų042 Ų420%022%0.217CC..EExtended strand (participates in β ladder)trans-110.8148.8173.158.30000110.4W122 V123 P125 E146 C147 V208 A210 F211T109-W122 CarbonylContact O-C 3.59Å; T109-W122 VanDerWaalsContact O-CA 3.27Å; T109-W122 WeakPolarHBondContact O-CA 3.39Å; T109-V123 PolarHBondContact N-O 3.2Å; T109-V123 PolarHBondContact O-N 2.93Å; T109-V123 VanDerWaalsContact O-O 3.12Å; T109-V123 PolarHBondContact OG1-O 3.46Å; T109-P125 HydrophobicContact CG2-CG 3.9Å; T109-E146 PolarHBondContact OG1-OE2 2.99Å; T109-E146 VanDerWaalsContact OG1-OE2 3.13Å; T109-C147 VanDerWaalsContact CG2-SG 3.57Å; T109-V208 HydrophobicContact CG2-CG1 3.96Å; T109-V208 HydrophobicContact CG2-CG2 3.9Å; T109-A210 CarbonylContact C-O 3.54Å; T109-A210 WeakPolarHBondContact CA-O 3.42Å; T109-F211 HydrophobicContact CG2-CB 4.39Å
110R97.8Very high95.1Very high16 Ų1643.6 Ų43.66%0.0623%0.225CC..EExtended strand (participates in β ladder)trans-103.9125.7172.6-168.2176.566.4-176.60.1109.5W122 V208 N209 A210 E246 E275R110-W122 HydrophobicContact CB-CD2 3.72Å; R110-W122 HydrophobicContact CB-CE3 3.75Å; R110-W122 HydrophobicContact CB-CG 4.44Å; R110-W122 HydrophobicContact CB-CH2 3.77Å; R110-W122 HydrophobicContact CB-CZ2 3.73Å; R110-W122 HydrophobicContact CB-CZ3 3.78Å; R110-W122 HydrophobicContact CG-CD2 4.12Å; R110-W122 HydrophobicContact CG-CG 4.46Å; R110-W122 HydrophobicContact CG-CZ2 4.11Å; R110-V208 WeakPolarHBondContact O-CA 3.24Å; R110-N209 WeakPolarHBondContact CB-OD1 3.18Å; R110-N209 PolarHBondContact NE-OD1 2.94Å; R110-N209 PolarHBondContact NH2-OD1 2.95Å; R110-N209 PolarHBondContact O-N 2.95Å; R110-N209 PolarHBondContact O-OD1 2.95Å; R110-N209 VanDerWaalsContact O-OD1 3.11Å; R110-A210 HydrophobicContact CB-CB 3.97Å; R110-A210 PolarHBondContact N-O 2.86Å; R110-E246 IonicContact CZ-OE1 3.26Å; R110-E246 IonicContact NH2-OE1 3.72Å; R110-E246 PolarHBondContact NH2-OE1 2.64Å; R110-E275 WeakPolarHBondContact CD-OE1 3.3Å; R110-E275 IonicContact CZ-OE1 2.76Å; R110-E275 IonicContact NE-OE1 3.4Å; R110-E275 IonicContact NH1-OE1 3.35Å; R110-E275 PolarHBondContact NH1-OE1 3.39Å; R110-E275 IonicContact NH1-OE2 3.84Å
111R96.1Very high94.9Very high48 Ų4843.2 Ų43.218%0.18122%0.224CC..PPolyproline II helixtrans-68.8131.1176.7-66.7176.76575.5-0.1110.7L115 I117 S118 N120 V121 V123R111-L115 HydrophobicContact CB-CD1 4.19Å; R111-I117 PolarHBondContact NE-O 2.84Å; R111-I117 PolarHBondContact NH2-O 3.49Å; R111-S118 VanDerWaalsContact CD-O 3.3Å; R111-S118 WeakPolarHBondContact CD-O 3.46Å; R111-S118 PolarHBondContact NE-O 3.28Å; R111-S118 VanDerWaalsContact NE-O 3.14Å; R111-N120 WeakPolarHBondContact O-CA 3.47Å; R111-N120 PolarHBondContact O-N 2.79Å; R111-V121 PolarHBondContact N-O 3.16Å; R111-V123 HydrophobicContact CG-CG2 3.96Å
112P93.8Very high94.9Very high5 Ų543.2 Ų43.23%0.03222%0.224CC..PPolyproline II helixtrans-55.5148.1176.8-25.830.5000113.3T114 L115 E207 N209P112-T114 WeakPolarHBondContact CB-OG1 3.36Å; P112-T114 PolarHBondContact O-N 3.28Å; P112-L115 HydrophobicContact CB-CG 4.39Å; P112-L115 PolarHBondContact O-N 3.27Å; P112-E207 WeakPolarHBondContact CD-O 3.35Å; P112-N209 HydrophobicContact CB-CB 4.29Å; P112-N209 HydrophobicContact CG-CB 4.11Å
113C91.6Very high94.9Very high84 Ų8441.4 Ų41.457%0.56821%0.21SC*.THydrogen-bonded Turntrans-64.7-18.217562.90000113.4L115 N120C113-L115 VanDerWaalsContact C-N 3.29Å; C113-N120 WeakPolarHBondContact CB-OD1 3.34Å
114T90.1Very high94.9Very high114 Ų11437.5 Ų37.570%0.69919%0.19SC*.THydrogen-bonded Turntrans-76.5-15.1178.754.70000113.2P112P112-T114 WeakPolarHBondContact CB-OG1 3.36Å; P112-T114 PolarHBondContact O-N 3.28Å
115L90.2Very high94.9Very high35 Ų3533.7 Ų33.718%0.18317%0.172CC..  trans-74.4136178.9-67.4-176000111.4R111 P112 C113 I117 P119R111-L115 HydrophobicContact CB-CD1 4.19Å; P112-L115 HydrophobicContact CB-CG 4.39Å; P112-L115 PolarHBondContact O-N 3.27Å; C113-L115 VanDerWaalsContact C-N 3.29Å; L115-I117 VanDerWaalsContact C-N 3.31Å; L115-I117 PolarHBondContact O-N 2.93Å; L115-P119 WeakPolarHBondContact O-CB 3.49Å
116R87.8Confident94.9Very high231 Ų23134.1 Ų34.187%0.87218%0.178SC*.SBendtrans-72.2-24.6179.5-65.4-178.1-179.1177.70.6113.5Y168R116-Y168 PolarHBondContact O-OH 3.04Å
117I87.9Confident94.7Very high57 Ų5734.7 Ų34.729%0.29218%0.184SC..SBendtrans-114.7119-175.3-61.3175.5000108R111 L115 Y168 H179R111-I117 PolarHBondContact NE-O 2.84Å; R111-I117 PolarHBondContact NH2-O 3.49Å; L115-I117 VanDerWaalsContact C-N 3.31Å; L115-I117 PolarHBondContact O-N 2.93Å; I117-Y168 HydrophobicContact CB-CD1 4.5Å; I117-Y168 HydrophobicContact CB-CE1 4.46Å; I117-Y168 HydrophobicContact CG1-CD1 4.13Å; I117-Y168 HydrophobicContact CG1-CE1 4.09Å; I117-Y168 HydrophobicContact CG2-CD1 4.03Å; I117-Y168 HydrophobicContact CG2-CD2 3.82Å; I117-Y168 HydrophobicContact CG2-CE1 4.39Å; I117-Y168 HydrophobicContact CG2-CE2 4.21Å; I117-Y168 HydrophobicContact CG2-CG 3.72Å; I117-H179 WeakPolarHBondContact CD1-NE2 3.19Å
118S87.9Confident94.5Very high33 Ų3338.9 Ų38.923%0.23120%0.203CC..SBendtrans49.155.8177.1-61.50000114.4R111R111-S118 VanDerWaalsContact CD-O 3.3Å; R111-S118 WeakPolarHBondContact CD-O 3.46Å; R111-S118 PolarHBondContact NE-O 3.28Å; R111-S118 VanDerWaalsContact NE-O 3.14Å
119P93.2Very high94.2Very high9 Ų939.2 Ų39.26%0.05821%0.205CC..THydrogen-bonded Turntrans-64.5153.717428.5-34.7000111.9L115 V121 D273L115-P119 WeakPolarHBondContact O-CB 3.49Å; P119-V121 WeakPolarHBondContact O-CG2 3.3Å; P119-V121 PolarHBondContact O-N 2.85Å; P119-V121 VanDerWaalsContact O-N 3.11Å; P119-D273 HydrophobicContact CG-CB 4.09Å; P119-D273 WeakPolarHBondContact CG-OD1 3.2Å
120N95Very high93.9Very high35 Ų3544.1 Ų44.119%0.18723%0.228CC..THydrogen-bonded Turntrans60.514178-55.4-40.9000115.1R111 C113 D273 E275R111-N120 WeakPolarHBondContact O-CA 3.47Å; R111-N120 PolarHBondContact O-N 2.79Å; C113-N120 WeakPolarHBondContact CB-OD1 3.34Å; N120-D273 PolarHBondContact ND2-O 3.12Å; N120-E275 HydrophobicContact CB-CB 4.36Å; N120-E275 VanDerWaalsContact O-CA 3.28Å; N120-E275 WeakPolarHBondContact O-CA 3.45Å; N120-E275 WeakPolarHBondContact O-CG 3.33Å
121V95.8Very high93.2Very high6 Ų648 Ų484%0.03626%0.255CS..EExtended strand (participates in β ladder)trans-93.4135.7-179.7-172.90000110.2R111 P119 V123 H276 N278R111-V121 PolarHBondContact N-O 3.16Å; P119-V121 WeakPolarHBondContact O-CG2 3.3Å; P119-V121 PolarHBondContact O-N 2.85Å; P119-V121 VanDerWaalsContact O-N 3.11Å; V121-V123 HydrophobicContact CG1-CG1 4.17Å; V121-H276 WeakPolarHBondContact CA-O 3.36Å; V121-N278 HydrophobicContact CG1-CB 3.52Å
122W98Very high92.6Very high0 Ų052.4 Ų52.40%028%0.282CS..EExtended strand (participates in β ladder)trans-82.3123.9170.4-66.290.6000110.6L108 T109 R110 A210 M212 A244 L258 E275 H276 V277 N278L108-W122 HydrophobicContact CB-CE3 4.17Å; L108-W122 HydrophobicContact CD1-CB 4.48Å; T109-W122 CarbonylContact O-C 3.59Å; T109-W122 VanDerWaalsContact O-CA 3.27Å; T109-W122 WeakPolarHBondContact O-CA 3.39Å; R110-W122 HydrophobicContact CB-CD2 3.72Å; R110-W122 HydrophobicContact CB-CE3 3.75Å; R110-W122 HydrophobicContact CB-CG 4.44Å; R110-W122 HydrophobicContact CB-CH2 3.77Å; R110-W122 HydrophobicContact CB-CZ2 3.73Å; R110-W122 HydrophobicContact CB-CZ3 3.78Å; R110-W122 HydrophobicContact CG-CD2 4.12Å; R110-W122 HydrophobicContact CG-CG 4.46Å; R110-W122 HydrophobicContact CG-CZ2 4.11Å; W122-A210 HydrophobicContact CH2-CB 3.59Å; W122-A210 HydrophobicContact CZ2-CB 4.18Å; W122-A210 HydrophobicContact CZ3-CB 4.37Å; W122-M212 HydrophobicContact CD2-CE 3.39Å; W122-M212 HydrophobicContact CE3-CE 3.41Å; W122-M212 VanDerWaalsContact CE3-CE 3.41Å; W122-M212 HydrophobicContact CE3-CG 4.09Å; W122-M212 HydrophobicContact CE3-SD 4.41Å; W122-M212 HydrophobicContact CG-CE 4.21Å; W122-M212 HydrophobicContact CH2-CB 4.43Å; W122-M212 HydrophobicContact CH2-CE 3.36Å; W122-M212 HydrophobicContact CH2-CG 4.48Å; W122-M212 HydrophobicContact CZ2-CE 3.33Å; W122-M212 HydrophobicContact CZ3-CB 4.11Å; W122-M212 HydrophobicContact CZ3-CE 3.38Å; W122-M212 HydrophobicContact CZ3-CG 3.85Å; W122-M212 HydrophobicContact CZ3-SD 4.45Å; W122-A244 HydrophobicContact CH2-CB 4.01Å; W122-L258 HydrophobicContact CH2-CD1 4.23Å; W122-L258 HydrophobicContact CZ2-CD1 3.77Å; W122-L258 HydrophobicContact CZ2-CD2 3.72Å; W122-L258 HydrophobicContact CZ2-CG 4.39Å; W122-E275 PolarHBondContact NE1-OE1 2.84Å; W122-H276 PolarHBondContact N-O 2.84Å; W122-V277 HydrophobicContact CB-CB 4.49Å; W122-V277 HydrophobicContact CB-CG2 4.09Å; W122-N278 WeakPolarHBondContact O-CB 3.39Å; W122-N278 PolarHBondContact O-N 3.18Å
123V98.1Very high92.3Very high22 Ų2253.1 Ų53.113%0.13329%0.285CS..EExtended strand (participates in β ladder)trans-139.2155.5-178.3-69.50000109.9L108 T109 R111 V121 N278L108-V123 CarbonylContact C-O 3.44Å; L108-V123 WeakPolarHBondContact CA-O 3.3Å; T109-V123 PolarHBondContact N-O 3.2Å; T109-V123 PolarHBondContact O-N 2.93Å; T109-V123 VanDerWaalsContact O-O 3.12Å; T109-V123 PolarHBondContact OG1-O 3.46Å; R111-V123 HydrophobicContact CG-CG2 3.96Å; V121-V123 HydrophobicContact CG1-CG1 4.17Å; V123-N278 HydrophobicContact CG1-CB 3.59Å
124P98.6Very high92.3Very high6 Ų653.2 Ų53.24%0.03928%0.277CS..  trans-61.5150.3158.424.5-32000110.4A96 V97 I98 L108 G126 F185A96-P124 HydrophobicContact CB-CB 4.45Å; A96-P124 HydrophobicContact CB-CG 3.94Å; V97-P124 WeakPolarHBondContact O-CB 3.47Å; I98-P124 HydrophobicContact CD1-CB 3.98Å; I98-P124 HydrophobicContact CD1-CG 4.16Å; L108-P124 HydrophobicContact CD2-CB 4.37Å; P124-G126 PolarHBondContact O-N 3.44Å; P124-F185 HydrophobicContact CG-CD1 4.28Å; P124-F185 HydrophobicContact CG-CE1 3.81Å
125P98.4Very high92.4Very high0 Ų048.7 Ų48.70%025%0.249CC..SBendtrans-53.6135.8169.9-2332.4000111A96 V97 L107 T109 L143 E146A96-P125 CarbonylContact C-O 3.46Å; A96-P125 WeakPolarHBondContact CA-O 3.39Å; V97-P125 PolarHBondContact N-O 2.82Å; L107-P125 HydrophobicContact CD2-CG 4.24Å; T109-P125 HydrophobicContact CG2-CG 3.9Å; P125-L143 HydrophobicContact CB-CD1 4.18Å; P125-L143 HydrophobicContact CG-CD1 3.95Å; P125-E146 WeakPolarHBondContact CA-OE2 3.38Å; P125-E146 HydrophobicContact CB-CB 4.44Å
126G97.7Very high92.6Very high15 Ų1549.7 Ų49.716%0.15525%0.254CS..EExtended strand (participates in β ladder)trans166.1157-176.600000114.7V95 P124 E146V95-G126 CarbonylContact O-C 3.42Å; V95-G126 WeakPolarHBondContact O-CA 3.31Å; P124-G126 PolarHBondContact O-N 3.44Å; G126-E146 PolarHBondContact N-OE1 2.87Å
127G95.7Very high92.9Very high13 Ų1343.9 Ų43.913%0.13424%0.237CC..EExtended strand (participates in β ladder)trans-162-163.2-174.700000112.5G94 V95 E142G94-G127 CarbonylContact C-O 3.59Å; G94-G127 WeakPolarHBondContact CA-O 3.32Å; V95-G127 PolarHBondContact N-O 3.41Å; V95-G127 PolarHBondContact O-N 3.41Å; G127-E142 VanDerWaalsContact CA-CD 3.41Å; G127-E142 VanDerWaalsContact CA-OE1 3.31Å; G127-E142 WeakPolarHBondContact CA-OE1 3.41Å
128H94.8Very high93.3Very high87 Ų8741.2 Ų41.240%0.40322%0.223SC..EExtended strand (participates in β ladder)trans-78.7143.2-178.3-63.1145.8000110.1E92 R141 H181E92-H128 IonicContact OE2-CE1 2.94Å; E92-H128 IonicContact OE2-NE2 3.84Å; H128-R141 PolarHBondContact O-NH2 2.93Å; H128-H181 AromaticContact CD2-CD2 3.88Å; H128-H181 AromaticContact CE1-NE2 3.74Å; H128-H181 AromaticContact NE2-CD2 3.18Å; H128-H181 PolarHBondContact NE2-CD2 3.04Å; H128-H181 AromaticContact NE2-NE2 2.98Å; H128-H181 PolarHBondContact NE2-NE2 3.26Å
129M92.1Very high93.8Very high8 Ų839.7 Ų39.74%0.03921%0.212CC..PPolyproline II helixtrans-66.9148.8172.1-62.9-170.871.700110.3R5 W42 V93 V95 E133 I135 C138R5-M129 PolarHBondContact NH1-O 3.18Å; R5-M129 PolarHBondContact NH2-O 2.87Å; W42-M129 HydrophobicContact CH2-CE 3.18Å; W42-M129 HydrophobicContact CH2-SD 3.35Å; W42-M129 WeakPolarHBondContact CH2-SD 3.5Å; W42-M129 HydrophobicContact CZ2-CE 3.41Å; W42-M129 VanDerWaalsContact CZ2-CE 3.41Å; W42-M129 HydrophobicContact CZ2-SD 4.21Å; W42-M129 HydrophobicContact CZ3-CE 4Å; W42-M129 HydrophobicContact CZ3-SD 3.79Å; V93-M129 HydrophobicContact CB-SD 4.5Å; V93-M129 HydrophobicContact CG1-CG 4.47Å; V93-M129 HydrophobicContact CG1-SD 3.8Å; V93-M129 PolarHBondContact O-N 2.92Å; V93-M129 VanDerWaalsContact O-N 3.14Å; V95-M129 HydrophobicContact CG2-CE 4.36Å; V95-M129 HydrophobicContact CG2-CG 3.76Å; V95-M129 HydrophobicContact CG2-SD 3.75Å; M129-E133 VanDerWaalsContact CE-O 3.23Å; M129-E133 WeakPolarHBondContact CE-O 3.4Å; M129-I135 HydrophobicContact CE-CG1 4.26Å; M129-C138 HydrophobicContact CE-CB 4.17Å; M129-C138 HydrophobicContact CG-CB 3.99Å
130E90.8Very high94Very high103 Ų10341.3 Ų41.348%0.48122%0.22SC..PPolyproline II helixtrans-90.8160.9169.2-67.3-163.2165.400112.4R5 D132 E133R5-E130 VanDerWaalsContact CZ-C 3.42Å; R5-E130 VanDerWaalsContact CZ-O 3.26Å; R5-E130 PolarHBondContact NH1-O 2.85Å; R5-E130 PolarHBondContact NH2-O 2.68Å; E130-D132 PolarHBondContact O-N 3.43Å; E130-E133 HydrophobicContact CB-CB 4.19Å; E130-E133 PolarHBondContact N-OE2 2.97Å; E130-E133 WeakPolarHBondContact O-CB 3.36Å; E130-E133 PolarHBondContact O-N 3.08Å
131P84Confident94.1Very high97 Ų9741.5 Ų41.563%0.6322%0.218SC*.THydrogen-bonded Turntrans-58.3136179.1-23.534.8000110.9R5 E133R5-P131 VanDerWaalsContact NH2-CD 3.34Å; P131-E133 PolarHBondContact O-N 3.32Å; P131-E133 VanDerWaalsContact O-N 3.11Å
132D82.4Confident94.2Very high140 Ų14042.1 Ų42.175%0.74922%0.221SC*.THydrogen-bonded Turntrans62.410.2178.9-51.1-47.6000115.9E130E130-D132 PolarHBondContact O-N 3.43Å
133E88.8Confident94.3Very high20 Ų2042.2 Ų42.29%0.09322%0.221CC..  trans-79.4136.6177.4-173.2173.7-135.500111.8W42 M129 E130 P131 E137 C138 R141W42-E133 VanDerWaalsContact CZ2-O 3.31Å; W42-E133 WeakPolarHBondContact CZ2-O 3.48Å; M129-E133 VanDerWaalsContact CE-O 3.23Å; M129-E133 WeakPolarHBondContact CE-O 3.4Å; E130-E133 HydrophobicContact CB-CB 4.19Å; E130-E133 PolarHBondContact N-OE2 2.97Å; E130-E133 WeakPolarHBondContact O-CB 3.36Å; E130-E133 PolarHBondContact O-N 3.08Å; P131-E133 PolarHBondContact O-N 3.32Å; P131-E133 VanDerWaalsContact O-N 3.11Å; E133-E137 HydrophobicContact CG-CB 3.88Å; E133-C138 VanDerWaalsContact CD-CB 3.43Å; E133-C138 HydrophobicContact CG-CB 3.93Å; E133-C138 VanDerWaalsContact OE1-CA 3.23Å; E133-C138 WeakPolarHBondContact OE1-CA 3.32Å; E133-C138 PolarHBondContact OE1-N 3.34Å; E133-C138 WeakPolarHBondContact OE2-CA 3.02Å; E133-C138 WeakPolarHBondContact OE2-CB 3.48Å; E133-R141 IonicContact OE1-CZ 3.93Å; E133-R141 IonicContact OE1-NE 2.74Å; E133-R141 PolarHBondContact OE1-NE 3.48Å; E133-R141 IonicContact OE1-NH2 3.8Å; E133-R141 PolarHBondContact OE1-NH2 3.19Å; E133-R141 IonicContact OE2-CZ 3.56Å; E133-R141 IonicContact OE2-NE 3.76Å; E133-R141 IonicContact OE2-NH2 3.68Å; E133-R141 PolarHBondContact OE2-NH2 3.03Å
134E90.8Very high94.3Very high87 Ų8745.4 Ų45.441%0.40724%0.235SC..  trans-78.6157.9172.4-68.5-66126.200112W42 L136 E137 C138W42-E134 VanDerWaalsContact NE1-CD 3.33Å; W42-E134 PolarHBondContact NE1-OE1 3.44Å; W42-E134 PolarHBondContact NE1-OE2 2.88Å; E134-L136 VanDerWaalsContact C-N 3.35Å; E134-L136 PolarHBondContact O-N 3.3Å; E134-E137 HydrophobicContact CB-CB 4.37Å; E134-E137 HydrophobicContact CB-CG 4.02Å; E134-E137 WeakPolarHBondContact CB-OE2 3.43Å; E134-E137 PolarHBondContact N-OE2 3.27Å; E134-E137 WeakPolarHBondContact O-CB 3.27Å; E134-E137 PolarHBondContact O-N 2.83Å; E134-E137 VanDerWaalsContact O-N 3.13Å; E134-C138 PolarHBondContact O-N 2.81Å
135I92.8Very high94.2Very high19 Ų1949.3 Ų49.310%0.09725%0.252CS..Hα-helixtrans-54.2-49.1-175.6-70160.1000112.2W42 V95 M129 C138 G139 L160 L184 V186W42-I135 HydrophobicContact CB-CD1 3.99Å; W42-I135 HydrophobicContact CD2-CD1 3.79Å; W42-I135 HydrophobicContact CD2-CG1 3.86Å; W42-I135 HydrophobicContact CE3-CD1 3.63Å; W42-I135 HydrophobicContact CE3-CG1 3.71Å; W42-I135 HydrophobicContact CG-CD1 3.94Å; W42-I135 HydrophobicContact CG-CG1 4.37Å; W42-I135 HydrophobicContact CH2-CG1 4.48Å; W42-I135 HydrophobicContact CZ3-CD1 4.37Å; W42-I135 HydrophobicContact CZ3-CG1 4.01Å; V95-I135 HydrophobicContact CG1-CG2 4.36Å; V95-I135 HydrophobicContact CG2-CG2 4.18Å; M129-I135 HydrophobicContact CE-CG1 4.26Å; I135-C138 PolarHBondContact O-N 2.88Å; I135-G139 PolarHBondContact O-N 3.47Å; I135-G139 VanDerWaalsContact O-N 3.15Å; I135-L160 HydrophobicContact CG2-CD2 3.93Å; I135-L184 HydrophobicContact CB-CD2 4.29Å; I135-L184 HydrophobicContact CD1-CD2 3.53Å; I135-L184 HydrophobicContact CG1-CD2 3.79Å; I135-L184 HydrophobicContact CG2-CD2 3.51Å; I135-L184 HydrophobicContact CG2-CG 4.41Å; I135-V186 HydrophobicContact CG2-CG2 3.69Å
136L94.1Very high94.2Very high55 Ų5549.6 Ų49.629%0.28825%0.254SS..Hα-helixtrans-70.3-35.3-178.1-179.562.9000111.5E134 G139 L140 F156 C158 V188E134-L136 VanDerWaalsContact C-N 3.35Å; E134-L136 PolarHBondContact O-N 3.3Å; L136-G139 PolarHBondContact O-N 3.41Å; L136-L140 HydrophobicContact CD1-CD1 4.09Å; L136-L140 HydrophobicContact CD1-CD2 4.48Å; L136-L140 HydrophobicContact CD1-CG 4Å; L136-L140 HydrophobicContact CD2-CD1 4.45Å; L136-L140 HydrophobicContact CG-CD1 3.9Å; L136-L140 HydrophobicContact CG-CG 4.23Å; L136-L140 WeakPolarHBondContact O-CB 3.34Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 3.12Å; L136-F156 HydrophobicContact CD1-CE2 4.32Å; L136-F156 HydrophobicContact CD2-CE2 4.2Å; L136-C158 HydrophobicContact CD1-CB 3.99Å; L136-V188 HydrophobicContact CD1-CG2 4.35Å
137E95.1Very high94.2Very high110 Ų11048.9 Ų48.951%0.51425%0.247SC..Hα-helixtrans-60.8-46.8176.4-65.6176.7157.700110.4E133 E134 G139 L140 R141E133-E137 HydrophobicContact CG-CB 3.88Å; E134-E137 HydrophobicContact CB-CB 4.37Å; E134-E137 HydrophobicContact CB-CG 4.02Å; E134-E137 WeakPolarHBondContact CB-OE2 3.43Å; E134-E137 PolarHBondContact N-OE2 3.27Å; E134-E137 WeakPolarHBondContact O-CB 3.27Å; E134-E137 PolarHBondContact O-N 2.83Å; E134-E137 VanDerWaalsContact O-N 3.13Å; E137-G139 PolarHBondContact O-N 2.94Å; E137-L140 PolarHBondContact O-N 2.94Å; E137-R141 VanDerWaalsContact O-CB 3.31Å; E137-R141 WeakPolarHBondContact O-CB 3.25Å; E137-R141 PolarHBondContact O-N 3.4Å
138C95.8Very high94.2Very high0 Ų049.6 Ų49.60%025%0.254CS..Hα-helixtrans-57.1-50.6174179.70000112V95 M129 E133 E134 I135 L140 R141 E142V95-C138 HydrophobicContact CB-CB 4.16Å; V95-C138 HydrophobicContact CG2-CB 4Å; M129-C138 HydrophobicContact CE-CB 4.17Å; M129-C138 HydrophobicContact CG-CB 3.99Å; E133-C138 VanDerWaalsContact CD-CB 3.43Å; E133-C138 HydrophobicContact CG-CB 3.93Å; E133-C138 VanDerWaalsContact OE1-CA 3.23Å; E133-C138 WeakPolarHBondContact OE1-CA 3.32Å; E133-C138 PolarHBondContact OE1-N 3.34Å; E133-C138 WeakPolarHBondContact OE2-CA 3.02Å; E133-C138 WeakPolarHBondContact OE2-CB 3.48Å; E134-C138 PolarHBondContact O-N 2.81Å; I135-C138 PolarHBondContact O-N 2.88Å; C138-L140 PolarHBondContact O-N 3.45Å; C138-R141 PolarHBondContact O-N 3.41Å; C138-R141 PolarHBondContact SG-NH2 3Å; C138-E142 VanDerWaalsContact O-CG 3.27Å; C138-E142 WeakPolarHBondContact O-CG 3.48Å; C138-E142 PolarHBondContact O-N 3.2Å
139G97.2Very high94.4Very high1 Ų145.6 Ų45.61%0.0124%0.235CC..Hα-helixtrans-59.5-43.8-179.700000113.2V97 I135 L136 E137 L143V97-G139 VanDerWaalsContact CG2-CA 3.41Å; V97-G139 VanDerWaalsContact CG2-O 3.28Å; V97-G139 WeakPolarHBondContact CG2-O 3.49Å; I135-G139 PolarHBondContact O-N 3.47Å; I135-G139 VanDerWaalsContact O-N 3.15Å; L136-G139 PolarHBondContact O-N 3.41Å; E137-G139 PolarHBondContact O-N 2.94Å; G139-L143 WeakPolarHBondContact O-CB 3.47Å; G139-L143 PolarHBondContact O-N 3.22Å
140L97.9Very high94.6Very high44 Ų4451 Ų5123%0.2326%0.261CS..Hα-helixtrans-71.5-35.7179.5-66.3176.2000112.4L136 E137 C138 Q144 L151 F156L136-L140 HydrophobicContact CD1-CD1 4.09Å; L136-L140 HydrophobicContact CD1-CD2 4.48Å; L136-L140 HydrophobicContact CD1-CG 4Å; L136-L140 HydrophobicContact CD2-CD1 4.45Å; L136-L140 HydrophobicContact CG-CD1 3.9Å; L136-L140 HydrophobicContact CG-CG 4.23Å; L136-L140 WeakPolarHBondContact O-CB 3.34Å; L136-L140 VanDerWaalsContact O-CG 3.31Å; L136-L140 WeakPolarHBondContact O-CG 3.27Å; L136-L140 PolarHBondContact O-N 3.12Å; E137-L140 PolarHBondContact O-N 2.94Å; C138-L140 PolarHBondContact O-N 3.45Å; L140-Q144 WeakPolarHBondContact O-CB 3.27Å; L140-Q144 PolarHBondContact O-N 3.12Å; L140-L151 HydrophobicContact CD2-CD1 4.19Å; L140-F156 HydrophobicContact CD1-CE2 4.32Å; L140-F156 HydrophobicContact CD1-CZ 3.73Å; L140-F156 HydrophobicContact CD2-CZ 4.3Å
141R97.7Very high94.8Very high39 Ų3947.1 Ų47.115%0.14724%0.243CC..Hα-helixtrans-62-50.9173.4177.2-177.254.8693.2110.8H128 E133 E137 C138 L143 Q144 E145H128-R141 PolarHBondContact O-NH2 2.93Å; E133-R141 IonicContact OE1-CZ 3.93Å; E133-R141 IonicContact OE1-NE 2.74Å; E133-R141 PolarHBondContact OE1-NE 3.48Å; E133-R141 IonicContact OE1-NH2 3.8Å; E133-R141 PolarHBondContact OE1-NH2 3.19Å; E133-R141 IonicContact OE2-CZ 3.56Å; E133-R141 IonicContact OE2-NE 3.76Å; E133-R141 IonicContact OE2-NH2 3.68Å; E133-R141 PolarHBondContact OE2-NH2 3.03Å; E137-R141 VanDerWaalsContact O-CB 3.31Å; E137-R141 WeakPolarHBondContact O-CB 3.25Å; E137-R141 PolarHBondContact O-N 3.4Å; C138-R141 PolarHBondContact O-N 3.41Å; C138-R141 PolarHBondContact SG-NH2 3Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-L143 PolarHBondContact O-N 2.72Å; R141-Q144 CarbonylContact O-C 3.44Å; R141-Q144 WeakPolarHBondContact O-CA 3.19Å; R141-Q144 WeakPolarHBondContact O-CB 3.49Å; R141-Q144 PolarHBondContact O-N 3.18Å; R141-E145 VanDerWaalsContact CD-OE1 3.24Å; R141-E145 WeakPolarHBondContact CD-OE1 3.37Å; R141-E145 HydrophobicContact CG-CG 4.26Å; R141-E145 WeakPolarHBondContact CG-OE1 3.44Å; R141-E145 IonicContact CZ-OE1 2.72Å; R141-E145 IonicContact NE-OE1 2.75Å; R141-E145 IonicContact NH1-OE1 3.69Å; R141-E145 PolarHBondContact NH1-OE1 3.15Å; R141-E145 IonicContact NH1-OE2 3.52Å; R141-E145 WeakPolarHBondContact O-CG 3.23Å; R141-E145 PolarHBondContact O-N 3.04Å
142E98.3Very high95.2Very high19 Ų1944.8 Ų44.89%0.08923%0.228CC..Hα-helixtrans-61.8-40.3179.1-66.7-69.9171.300111.6G127 C138 Q144 E145 E146G127-E142 VanDerWaalsContact CA-CD 3.41Å; G127-E142 VanDerWaalsContact CA-OE1 3.31Å; G127-E142 WeakPolarHBondContact CA-OE1 3.41Å; C138-E142 VanDerWaalsContact O-CG 3.27Å; C138-E142 WeakPolarHBondContact O-CG 3.48Å; C138-E142 PolarHBondContact O-N 3.2Å; E142-Q144 VanDerWaalsContact C-N 3.29Å; E142-Q144 PolarHBondContact O-N 3.28Å; E142-E145 PolarHBondContact O-N 3.02Å; E142-E146 WeakPolarHBondContact O-CB 3.31Å; E142-E146 PolarHBondContact O-N 2.92Å
143L98.4Very high95.5Very high1 Ų143.2 Ų43.21%0.00523%0.225CC..Hα-helixtrans-59.5-40.3173-179.864.7000112L99 L107 P125 G139 R141 C147 L149 L151L99-L143 HydrophobicContact CD2-CD1 4.09Å; L99-L143 HydrophobicContact CD2-CD2 4.17Å; L107-L143 HydrophobicContact CD2-CD1 4.33Å; P125-L143 HydrophobicContact CB-CD1 4.18Å; P125-L143 HydrophobicContact CG-CD1 3.95Å; G139-L143 WeakPolarHBondContact O-CB 3.47Å; G139-L143 PolarHBondContact O-N 3.22Å; R141-L143 VanDerWaalsContact C-N 3.32Å; R141-L143 PolarHBondContact O-N 2.72Å; L143-C147 HydrophobicContact CD1-CB 4.27Å; L143-C147 WeakPolarHBondContact O-CA 3.4Å; L143-C147 VanDerWaalsContact O-CB 3.25Å; L143-C147 WeakPolarHBondContact O-CB 3.46Å; L143-C147 PolarHBondContact O-N 3.13Å; L143-L149 HydrophobicContact CD1-CB 4.31Å; L143-L149 HydrophobicContact CD1-CD1 4.23Å; L143-L149 HydrophobicContact CD2-CB 4.32Å; L143-L149 HydrophobicContact CG-CB 4Å; L143-L151 HydrophobicContact CD2-CD1 3.95Å; L143-L151 HydrophobicContact CD2-CG 4.2Å
144Q98.1Very high95.6Very high89 Ų8949.3 Ų49.342%0.41626%0.259SS..Hα-helixtrans-70.3-43.4175.7-179.9-179.31.400112.2L140 R141 E142 G148 Q150L140-Q144 WeakPolarHBondContact O-CB 3.27Å; L140-Q144 PolarHBondContact O-N 3.12Å; R141-Q144 CarbonylContact O-C 3.44Å; R141-Q144 WeakPolarHBondContact O-CA 3.19Å; R141-Q144 WeakPolarHBondContact O-CB 3.49Å; R141-Q144 PolarHBondContact O-N 3.18Å; E142-Q144 VanDerWaalsContact C-N 3.29Å; E142-Q144 PolarHBondContact O-N 3.28Å; Q144-G148 WeakPolarHBondContact O-CA 3.25Å; Q144-G148 PolarHBondContact O-N 3.35Å; Q144-Q150 HydrophobicContact CB-CG 4.49Å; Q144-Q150 HydrophobicContact CG-CG 3.92Å
145E97.7Very high95.8Very high88 Ų8849 Ų4941%0.41126%0.257SS..Hα-helixtrans-65.8-42-178.7-74.5-179.4-156.700112.5R141 E142 N204R141-E145 VanDerWaalsContact CD-OE1 3.24Å; R141-E145 WeakPolarHBondContact CD-OE1 3.37Å; R141-E145 HydrophobicContact CG-CG 4.26Å; R141-E145 WeakPolarHBondContact CG-OE1 3.44Å; R141-E145 IonicContact CZ-OE1 2.72Å; R141-E145 IonicContact NE-OE1 2.75Å; R141-E145 IonicContact NH1-OE1 3.69Å; R141-E145 PolarHBondContact NH1-OE1 3.15Å; R141-E145 IonicContact NH1-OE2 3.52Å; R141-E145 WeakPolarHBondContact O-CG 3.23Å; R141-E145 PolarHBondContact O-N 3.04Å; E142-E145 PolarHBondContact O-N 3.02Å; E145-N204 WeakPolarHBondContact O-CB 3.29Å
146E97.8Very high96.1Very high7 Ų749.7 Ų49.73%0.03326%0.26CS..Hα-helixtrans-82.2-43-178.6-74.4-167.8-14300112.8T109 P125 G126 E142 V203 N204 E207 V208T109-E146 PolarHBondContact OG1-OE2 2.99Å; T109-E146 VanDerWaalsContact OG1-OE2 3.13Å; P125-E146 WeakPolarHBondContact CA-OE2 3.38Å; P125-E146 HydrophobicContact CB-CB 4.44Å; G126-E146 PolarHBondContact N-OE1 2.87Å; E142-E146 WeakPolarHBondContact O-CB 3.31Å; E142-E146 PolarHBondContact O-N 2.92Å; E146-V203 CarbonylContact O-C 3.59Å; E146-V203 VanDerWaalsContact O-CA 3.26Å; E146-V203 WeakPolarHBondContact O-CA 3.1Å; E146-N204 PolarHBondContact O-N 3.5Å; E146-E207 HydrophobicContact CG-CB 4.09Å; E146-V208 HydrophobicContact CB-CG2 3.84Å; E146-V208 HydrophobicContact CG-CG2 4.16Å; E146-V208 WeakPolarHBondContact OE2-CG2 3.13Å
147C97.2Very high96.2Very high0 Ų050.1 Ų50.10%027%0.267CS..Hα-helixtrans-115.2-6.2-167.9-56.80000114.3T109 L143 L149 I201 Q202T109-C147 VanDerWaalsContact CG2-SG 3.57Å; L143-C147 HydrophobicContact CD1-CB 4.27Å; L143-C147 WeakPolarHBondContact O-CA 3.4Å; L143-C147 VanDerWaalsContact O-CB 3.25Å; L143-C147 WeakPolarHBondContact O-CB 3.46Å; L143-C147 PolarHBondContact O-N 3.13Å; C147-L149 HydrophobicContact CB-CB 4.42Å; C147-L149 HydrophobicContact CB-CD1 4.25Å; C147-L149 HydrophobicContact CB-CG 4.14Å; C147-L149 PolarHBondContact O-N 2.96Å; C147-L149 VanDerWaalsContact O-N 3.16Å; C147-I201 WeakPolarHBondContact O-CA 3.46Å; C147-Q202 CarbonylContact C-O 3.59Å; C147-Q202 CarbonylContact O-C 3.56Å; C147-Q202 PolarHBondContact O-N 3.39Å
148G97.3Very high96.3Very high28 Ų2847.8 Ų47.829%0.28926%0.262SS..  trans696.2-174.900000114.1Q144 Q150 Q202Q144-G148 WeakPolarHBondContact O-CA 3.25Å; Q144-G148 PolarHBondContact O-N 3.35Å; G148-Q150 PolarHBondContact O-N 3.31Å; G148-Q202 PolarHBondContact N-O 3.47Å
149L97.6Very high96.4Very high2 Ų250.5 Ų50.51%0.0128%0.278CS..  trans-84.8115.1-174.7-74178.5000110.9L99 L107 L143 C147 R200 I201L99-L149 HydrophobicContact CD2-CD1 3.7Å; L107-L149 HydrophobicContact CD2-CD1 4.2Å; L143-L149 HydrophobicContact CD1-CB 4.31Å; L143-L149 HydrophobicContact CD1-CD1 4.23Å; L143-L149 HydrophobicContact CD2-CB 4.32Å; L143-L149 HydrophobicContact CG-CB 4Å; C147-L149 HydrophobicContact CB-CB 4.42Å; C147-L149 HydrophobicContact CB-CD1 4.25Å; C147-L149 HydrophobicContact CB-CG 4.14Å; C147-L149 PolarHBondContact O-N 2.96Å; C147-L149 VanDerWaalsContact O-N 3.16Å; L149-R200 HydrophobicContact CD2-CB 4.02Å; L149-I201 HydrophobicContact CD1-CD1 4.31Å; L149-I201 HydrophobicContact CD1-CG1 3.76Å; L149-I201 HydrophobicContact CD2-CG1 3.94Å; L149-I201 HydrophobicContact CG-CG1 3.89Å
150Q97.1Very high96.4Very high123 Ų12352.8 Ų52.858%0.57529%0.29SS*.PPolyproline II helixtrans-103.2128.1164.6-66.5173.144.600108.6Q144 G148 R200Q144-Q150 HydrophobicContact CB-CG 4.49Å; Q144-Q150 HydrophobicContact CG-CG 3.92Å; G148-Q150 PolarHBondContact O-N 3.31Å; Q150-R200 PolarHBondContact O-NH1 3.02Å
151L95.8Very high96.4Very high20 Ų2051.2 Ų51.211%0.10528%0.282CS..PPolyproline II helixtrans-101.5128.8178.6-57.9-179.7000109.6L99 L140 L143 F156 V188 L197L99-L151 HydrophobicContact CD1-CD1 3.8Å; L140-L151 HydrophobicContact CD2-CD1 4.19Å; L143-L151 HydrophobicContact CD2-CD1 3.95Å; L143-L151 HydrophobicContact CD2-CG 4.2Å; L151-F156 HydrophobicContact CB-CD1 3.56Å; L151-F156 HydrophobicContact CB-CE1 3.82Å; L151-F156 HydrophobicContact CB-CG 4.42Å; L151-F156 HydrophobicContact CD1-CD1 4.26Å; L151-F156 HydrophobicContact CD1-CG 4.35Å; L151-V188 HydrophobicContact CD1-CG1 3.47Å; L151-V188 VanDerWaalsContact CD1-CG1 3.47Å; L151-L197 HydrophobicContact CD2-CD2 3.8Å
152P91.8Very high96.4Very high48 Ų4849.4 Ų49.431%0.31228%0.275SS..PPolyproline II helixtrans-63134.3176.7-22.734.2000111N154 Q155 F156P152-N154 PolarHBondContact O-N 3.37Å; P152-Q155 HydrophobicContact CB-CB 4.07Å; P152-Q155 HydrophobicContact CB-CG 3.93Å; P152-Q155 HydrophobicContact CG-CB 4.32Å; P152-Q155 HydrophobicContact CG-CG 4.26Å; P152-Q155 PolarHBondContact O-N 3.05Å; P152-F156 VanDerWaalsContact O-CD1 3.24Å; P152-F156 WeakPolarHBondContact O-CD1 3.26Å; P152-F156 WeakPolarHBondContact O-CE1 3.46Å
153P87.7Confident96.3Very high108 Ų10848.5 Ų48.570%0.70127%0.271SS*.THydrogen-bonded Turntrans-53-26.4-173.5-30.735.3000116.3
154N92.6Very high96.3Very high148 Ų14848.8 Ų48.879%0.79127%0.272SS*.THydrogen-bonded Turntrans-101.59.2-178.4-61.6-27.1000113.5P152 Q191P152-N154 PolarHBondContact O-N 3.37Å; N154-Q191 PolarHBondContact O-NE2 2.88Å
155Q94.9Very high96.3Very high80 Ų8044.5 Ų44.537%0.37425%0.252SS..SBendtrans-115.49.8-176.9-67.4-172.914.400113.2P152 Q191P152-Q155 HydrophobicContact CB-CB 4.07Å; P152-Q155 HydrophobicContact CB-CG 3.93Å; P152-Q155 HydrophobicContact CG-CB 4.32Å; P152-Q155 HydrophobicContact CG-CG 4.26Å; P152-Q155 PolarHBondContact O-N 3.05Å; Q155-Q191 WeakPolarHBondContact O-CB 3.49Å; Q155-Q191 WeakPolarHBondContact O-CG 3.46Å; Q155-Q191 PolarHBondContact O-N 3.4Å
156F97.7Very high96.2Very high34 Ų3441.3 Ų41.315%0.14924%0.24CC..EExtended strand (participates in β ladder)trans-144.1159.6171.967.3-88.4000111.8L136 L140 L151 P152 V188 I189L136-F156 HydrophobicContact CD1-CE2 4.32Å; L136-F156 HydrophobicContact CD2-CE2 4.2Å; L140-F156 HydrophobicContact CD1-CE2 4.32Å; L140-F156 HydrophobicContact CD1-CZ 3.73Å; L140-F156 HydrophobicContact CD2-CZ 4.3Å; L151-F156 HydrophobicContact CB-CD1 3.56Å; L151-F156 HydrophobicContact CB-CE1 3.82Å; L151-F156 HydrophobicContact CB-CG 4.42Å; L151-F156 HydrophobicContact CD1-CD1 4.26Å; L151-F156 HydrophobicContact CD1-CG 4.35Å; P152-F156 VanDerWaalsContact O-CD1 3.24Å; P152-F156 WeakPolarHBondContact O-CD1 3.26Å; P152-F156 WeakPolarHBondContact O-CE1 3.46Å; F156-V188 HydrophobicContact CB-CG1 3.98Å; F156-V188 HydrophobicContact CD2-CG1 3.75Å; F156-V188 HydrophobicContact CG-CG1 3.99Å; F156-I189 CarbonylContact C-O 3.49Å; F156-I189 WeakPolarHBondContact CA-O 3.27Å; F156-I189 WeakPolarHBondContact CB-O 3.36Å
157S97.5Very high96Very high63 Ų6341.4 Ų41.444%0.44124%0.241SC..EExtended strand (participates in β ladder)trans-117.8162163.163.20000109.6V188 I189S157-V188 WeakPolarHBondContact O-CA 3.36Å; S157-I189 PolarHBondContact N-O 2.81Å; S157-I189 PolarHBondContact O-N 2.9Å
158C96.8Very high95.8Very high62 Ų6243.6 Ų43.642%0.41925%0.25SC..EExtended strand (participates in β ladder)trans-131.9145.1179.664.10000112.3L136 V186 L187L136-C158 HydrophobicContact CD1-CB 3.99Å; C158-V186 HydrophobicContact CB-CG1 4.2Å; C158-L187 CarbonylContact C-O 3.55Å; C158-L187 WeakPolarHBondContact CA-O 3.49Å
159V96.8Very high95.7Very high56 Ų5642.9 Ų42.934%0.33924%0.24SC..EExtended strand (participates in β ladder)trans-138.2134.5176.4-1770000108.9L161 L187V159-L161 PolarHBondContact O-N 3Å; V159-L187 HydrophobicContact CB-CB 4.42Å; V159-L187 PolarHBondContact N-O 2.79Å; V159-L187 PolarHBondContact O-N 3.33Å
160L97.1Very high95.4Very high49 Ų4943.9 Ų43.926%0.25725%0.247SC..EExtended strand (participates in β ladder)trans-73.7123.5171.1-58.5-173.7000109.2E59 L61 I135 L184 V186E59-L160 HydrophobicContact CG-CD1 4.28Å; L61-L160 HydrophobicContact CD1-CB 3.91Å; L61-L160 HydrophobicContact CD1-CD1 4.06Å; L61-L160 HydrophobicContact CD2-CB 3.86Å; I135-L160 HydrophobicContact CG2-CD2 3.93Å; L160-L184 HydrophobicContact CD2-CD2 4.13Å; L160-L184 HydrophobicContact CD2-CG 4.47Å; L160-V186 HydrophobicContact CD2-CG1 4.45Å; L160-V186 HydrophobicContact CD2-CG2 3.76Å
161L97.8Very high95.2Very high12 Ų1239.4 Ų39.46%0.06322%0.224CC..EExtended strand (participates in β ladder)trans-88.1-55.5-178.5-70.6179.4000111.6P62 I98 V159 F185 L187 L287 W288 H291P62-L161 VanDerWaalsContact CD-O 3.25Å; P62-L161 WeakPolarHBondContact CD-O 3.39Å; P62-L161 VanDerWaalsContact CG-O 3.3Å; P62-L161 WeakPolarHBondContact CG-O 3.48Å; I98-L161 HydrophobicContact CB-CD1 4.19Å; I98-L161 HydrophobicContact CG1-CD1 3.85Å; V159-L161 PolarHBondContact O-N 3Å; L161-F185 HydrophobicContact CB-CB 4.11Å; L161-F185 HydrophobicContact CD1-CB 4.48Å; L161-F185 PolarHBondContact N-O 2.96Å; L161-L187 HydrophobicContact CD1-CB 3.9Å; L161-L187 HydrophobicContact CD2-CB 3.86Å; L161-L187 HydrophobicContact CD2-CD2 4.26Å; L161-L187 HydrophobicContact CG-CB 3.74Å; L161-L287 HydrophobicContact CB-CB 4.07Å; L161-L287 HydrophobicContact CB-CD1 3.97Å; L161-L287 HydrophobicContact CD1-CB 4.42Å; L161-L287 HydrophobicContact CD2-CB 4.28Å; L161-W288 HydrophobicContact CD1-CB 4.46Å; L161-H291 HydrophobicContact CD2-CB 4.49Å
162G97.6Very high95Very high0 Ų041.5 Ų41.50%024%0.236CC..EExtended strand (participates in β ladder)trans175.4174.6-170.400000114.2P62 F185P62-G162 CarbonylContact O-C 3.53Å; P62-G162 VanDerWaalsContact O-CA 3.26Å; P62-G162 WeakPolarHBondContact O-CA 3.47Å; G162-F185 PolarHBondContact O-N 2.85Å
163L97.8Very high95Very high0 Ų043.3 Ų43.30%025%0.249CC..EExtended strand (participates in β ladder)trans-115.9140.7-174.4-69158.2000110.9I38 L47 L49 L61 P62 I63 Q64 L182 F183 L184 F283I38-L163 HydrophobicContact CD1-CD1 3.44Å; I38-L163 VanDerWaalsContact CD1-CD1 3.44Å; I38-L163 HydrophobicContact CG1-CD1 4.1Å; L47-L163 HydrophobicContact CD2-CD2 3.97Å; L49-L163 HydrophobicContact CD1-CD1 4.29Å; L49-L163 HydrophobicContact CD2-CD1 3.92Å; L61-L163 HydrophobicContact CB-CD1 4.37Å; P62-L163 PolarHBondContact O-N 3.5Å; I63-L163 CarbonylContact C-O 3.5Å; I63-L163 VanDerWaalsContact CA-O 3.27Å; I63-L163 WeakPolarHBondContact CA-O 3.45Å; I63-L163 HydrophobicContact CB-CB 3.92Å; I63-L163 HydrophobicContact CD1-CB 4.19Å; I63-L163 HydrophobicContact CG1-CB 3.69Å; Q64-L163 PolarHBondContact N-O 3.3Å; L163-L182 HydrophobicContact CB-CD1 4.41Å; L163-L182 HydrophobicContact CD2-CD2 4.03Å; L163-L182 HydrophobicContact CD2-CG 4.19Å; L163-F183 CarbonylContact C-O 3.51Å; L163-F183 VanDerWaalsContact CA-O 3.27Å; L163-F183 WeakPolarHBondContact CA-O 3.16Å; L163-L184 HydrophobicContact CD2-CB 3.91Å; L163-L184 HydrophobicContact CD2-CD1 3.69Å; L163-L184 HydrophobicContact CD2-CG 4.35Å; L163-L184 HydrophobicContact CG-CD1 4.04Å; L163-F283 WeakPolarHBondContact O-CE1 3.43Å
164W97.7Very high95.1Very high7 Ų740.4 Ų40.43%0.02722%0.224CC..EExtended strand (participates in β ladder)trans-133.3117.2-178.3-179.2-97.1000112.2Q64 P66 L182 F183 F185 T279 F283Q64-W164 HydrophobicContact CB-CE3 3.83Å; Q64-W164 HydrophobicContact CB-CZ3 3.76Å; Q64-W164 HydrophobicContact CG-CE3 4.26Å; Q64-W164 HydrophobicContact CG-CZ3 3.66Å; Q64-W164 WeakPolarHBondContact O-CA 3.34Å; P66-W164 HydrophobicContact CB-CH2 4.08Å; P66-W164 HydrophobicContact CB-CZ2 3.77Å; P66-W164 HydrophobicContact CG-CZ2 3.93Å; W164-L182 WeakPolarHBondContact O-CA 3.27Å; W164-F183 HydrophobicContact CB-CB 4.47Å; W164-F183 PolarHBondContact N-O 2.74Å; W164-F183 PolarHBondContact O-N 2.87Å; W164-F185 HydrophobicContact CB-CD2 4.32Å; W164-F185 HydrophobicContact CB-CE2 3.56Å; W164-F185 HydrophobicContact CB-CZ 4.4Å; W164-F185 HydrophobicContact CG-CE2 4.22Å; W164-T279 HydrophobicContact CH2-CG2 3.65Å; W164-T279 HydrophobicContact CZ2-CG2 3.63Å; W164-F283 HydrophobicContact CB-CD1 4.17Å; W164-F283 HydrophobicContact CB-CE1 4.35Å; W164-F283 HydrophobicContact CD2-CD1 4.34Å; W164-F283 HydrophobicContact CE3-CB 3.69Å; W164-F283 AromaticContact CE3-CD1 3.62Å; W164-F283 HydrophobicContact CE3-CD1 3.62Å; W164-F283 HydrophobicContact CE3-CD2 4.27Å; W164-F283 HydrophobicContact CE3-CE1 4.26Å; W164-F283 AromaticContact CE3-CG 3.6Å; W164-F283 HydrophobicContact CE3-CG 3.6Å; W164-F283 HydrophobicContact CZ3-CB 3.73Å; W164-F283 HydrophobicContact CZ3-CD1 4.4Å; W164-F283 HydrophobicContact CZ3-CD2 4.34Å; W164-F283 AromaticContact CZ3-CG 3.92Å; W164-F283 HydrophobicContact CZ3-CG 3.92Å
165E97.4Very high95.1Very high0 Ų035 Ų350%020%0.204CC..EExtended strand (participates in β ladder)trans-81.2118.5174.6-174.8-178.2-176.200109.7S22 V23 C24 Q64 R65 P66 H180 L182S22-E165 WeakPolarHBondContact CA-OE1 3.1Å; S22-E165 WeakPolarHBondContact CB-OE1 3.45Å; S22-E165 PolarHBondContact OG-OE1 3.4Å; S22-E165 PolarHBondContact OG-OE2 2.84Å; V23-E165 HydrophobicContact CB-CG 4.44Å; V23-E165 PolarHBondContact N-OE1 3.41Å; C24-E165 WeakPolarHBondContact CB-OE2 3.5Å; C24-E165 PolarHBondContact N-OE2 2.93Å; C24-E165 PolarHBondContact SG-OE2 2.89Å; Q64-E165 PolarHBondContact O-N 3.37Å; R65-E165 HydrophobicContact CB-CB 3.95Å; P66-E165 WeakPolarHBondContact CD-O 3.26Å; E165-H180 IonicContact OE1-CE1 3.63Å; E165-H180 IonicContact OE1-NE2 3.47Å; E165-H180 PolarHBondContact OE1-NE2 2.94Å; E165-L182 HydrophobicContact CB-CD1 4.21Å
166S95.6Very high94.9Very high21 Ų2134 Ų3415%0.14720%0.201CC..EExtended strand (participates in β ladder)trans-127.2153.2-172.6-170.50000112.1H181S166-H181 PolarHBondContact N-O 2.97Å; S166-H181 PolarHBondContact O-N 3.16Å
167A95.3Very high94.7Very high8 Ų832.6 Ų32.67%0.06620%0.195CC..EExtended strand (participates in β ladder)trans-134.4152.2177.500000110.7P70 F71 P169 P170 P177 H179P70-A167 HydrophobicContact CG-CB 3.42Å; P70-A167 VanDerWaalsContact CG-CB 3.42Å; F71-A167 HydrophobicContact CD2-CB 4.23Å; F71-A167 HydrophobicContact CE2-CB 3.44Å; F71-A167 VanDerWaalsContact CE2-CB 3.44Å; F71-A167 HydrophobicContact CZ-CB 3.97Å; A167-P169 CarbonylContact C-O 3.55Å; A167-P170 WeakPolarHBondContact O-CA 3.35Å; A167-P177 HydrophobicContact CB-CB 4.29Å; A167-H179 WeakPolarHBondContact CA-O 3.37Å
168Y92.9Very high94.4Very high46 Ų4637.8 Ų37.818%0.1821%0.205CC..EExtended strand (participates in β ladder)trans-134.1127.7163.1-176.3-92.3000110.8R116 I117 R178 H179R116-Y168 PolarHBondContact O-OH 3.04Å; I117-Y168 HydrophobicContact CB-CD1 4.5Å; I117-Y168 HydrophobicContact CB-CE1 4.46Å; I117-Y168 HydrophobicContact CG1-CD1 4.13Å; I117-Y168 HydrophobicContact CG1-CE1 4.09Å; I117-Y168 HydrophobicContact CG2-CD1 4.03Å; I117-Y168 HydrophobicContact CG2-CD2 3.82Å; I117-Y168 HydrophobicContact CG2-CE1 4.39Å; I117-Y168 HydrophobicContact CG2-CE2 4.21Å; I117-Y168 HydrophobicContact CG2-CG 3.72Å; Y168-R178 CarbonylContact O-C 3.58Å; Y168-R178 WeakPolarHBondContact O-CA 3.05Å; Y168-R178 PolarHBondContact O-N 2.85Å; Y168-H179 PolarHBondContact N-O 3.04Å; Y168-H179 VanDerWaalsContact N-O 3.12Å; Y168-H179 PolarHBondContact O-N 3.03Å
169P93.9Very high94.3Very high13 Ų1337 Ų378%0.08420%0.195CC..SBendcis-54.6152-10.6-25.335.6000113.1A167 R171 W174 L176A167-P169 CarbonylContact C-O 3.55Å; P169-R171 VanDerWaalsContact C-N 3.26Å; P169-R171 PolarHBondContact O-N 3.39Å; P169-W174 HydrophobicContact CB-CB 3.6Å; P169-L176 WeakPolarHBondContact CD-O 3.27Å
170P92.6Very high94.2Very high23 Ų2334.4 Ų34.415%0.14918%0.179CC..SBendtrans-73.2-14.9-167.228.4-35.7000114.3F68 P70 A167 W174 T267F68-P170 WeakPolarHBondContact CD2-O 3.47Å; F68-P170 HydrophobicContact CE2-CB 4.14Å; P70-P170 WeakPolarHBondContact CD-O 3.25Å; A167-P170 WeakPolarHBondContact O-CA 3.35Å; P170-W174 VanDerWaalsContact CD-CE3 3.45Å; P170-W174 HydrophobicContact CG-CD2 3.98Å; P170-W174 HydrophobicContact CG-CE3 3.79Å; P170-W174 HydrophobicContact CG-CH2 4.28Å; P170-W174 HydrophobicContact CG-CZ2 4.43Å; P170-W174 HydrophobicContact CG-CZ3 3.95Å; P170-T267 HydrophobicContact CG-CG2 4.45Å
171R92.1Very high94.1Very high29 Ų2932.8 Ų32.811%0.10917%0.17CC..SBendtrans-154.7158-17858.7-178.764.4-177.710.7110.8F68 P169 S173 W174 T267F68-R171 HydrophobicContact CB-CB 4.15Å; F68-R171 HydrophobicContact CD2-CB 4.01Å; F68-R171 HydrophobicContact CG-CB 4.44Å; F68-R171 VanDerWaalsContact CG-NH2 3.33Å; P169-R171 VanDerWaalsContact C-N 3.26Å; P169-R171 PolarHBondContact O-N 3.39Å; R171-S173 VanDerWaalsContact C-N 3.26Å; R171-S173 WeakPolarHBondContact CD-OG 3.43Å; R171-S173 WeakPolarHBondContact CG-OG 3.38Å; R171-S173 PolarHBondContact O-N 3.01Å; R171-W174 HydrophobicContact CG-CG 3.97Å; R171-W174 PolarHBondContact O-N 2.92Å; R171-T267 PolarHBondContact NH2-O 3.31Å
172L91.6Very high94.1Very high65 Ų6532.2 Ų32.234%0.3417%0.167SC..G310 helixtrans-62.7-28-176.8-63.3177.4000113.9P70 A73 L74 W174 G175 L176P70-L172 HydrophobicContact CB-CD2 3.55Å; P70-L172 HydrophobicContact CB-CG 3.81Å; A73-L172 HydrophobicContact CB-CD1 3.77Å; L74-L172 HydrophobicContact CD1-CD2 4.11Å; L74-L172 HydrophobicContact CD2-CD1 4.34Å; L74-L172 HydrophobicContact CD2-CD2 4.26Å; L74-L172 HydrophobicContact CG-CD1 4.26Å; L74-L172 HydrophobicContact CG-CD2 4.08Å; L172-W174 PolarHBondContact O-N 2.86Å; L172-G175 PolarHBondContact O-N 3.26Å; L172-L176 HydrophobicContact CD2-CD2 4.33Å
173S90.9Very high94.1Very high85 Ų8534.1 Ų34.159%0.59418%0.175SC*.G310 helixtrans-66.2-14.7176.360.80000113.6R171 T269R171-S173 VanDerWaalsContact C-N 3.26Å; R171-S173 WeakPolarHBondContact CD-OG 3.43Å; R171-S173 WeakPolarHBondContact CG-OG 3.38Å; R171-S173 PolarHBondContact O-N 3.01Å; S173-T269 PolarHBondContact OG-O 3.35Å
174W90.9Very high94Very high47 Ų4734.3 Ų34.318%0.17818%0.176CC..G310 helixtrans-97.10.1174.4-66.427.7000112.2P169 P170 R171 L172 T267 P268 T269 T270 A271P169-W174 HydrophobicContact CB-CB 3.6Å; P170-W174 VanDerWaalsContact CD-CE3 3.45Å; P170-W174 HydrophobicContact CG-CD2 3.98Å; P170-W174 HydrophobicContact CG-CE3 3.79Å; P170-W174 HydrophobicContact CG-CH2 4.28Å; P170-W174 HydrophobicContact CG-CZ2 4.43Å; P170-W174 HydrophobicContact CG-CZ3 3.95Å; R171-W174 HydrophobicContact CG-CG 3.97Å; R171-W174 PolarHBondContact O-N 2.92Å; L172-W174 PolarHBondContact O-N 2.86Å; W174-T267 HydrophobicContact CZ2-CG2 4.45Å; W174-P268 HydrophobicContact CZ2-CB 4.07Å; W174-P268 VanDerWaalsContact CZ2-O 3.3Å; W174-P268 WeakPolarHBondContact CZ2-O 3.41Å; W174-P268 PolarHBondContact NE1-O 2.85Å; W174-T269 VanDerWaalsContact CD1-O 3.32Å; W174-T269 PolarHBondContact NE1-O 3.2Å; W174-T269 VanDerWaalsContact NE1-O 3.1Å; W174-T270 VanDerWaalsContact CE2-C 3.49Å; W174-T270 WeakPolarHBondContact CZ2-O 3.27Å; W174-T270 PolarHBondContact NE1-O 2.75Å; W174-A271 HydrophobicContact CB-CB 4.37Å; W174-A271 HydrophobicContact CD2-CB 3.92Å; W174-A271 HydrophobicContact CE3-CB 4.07Å; W174-A271 HydrophobicContact CG-CB 4.04Å
175G91.7Very high94.1Very high35 Ų3534.3 Ų34.336%0.36118%0.176SC..  trans111.6175.9-173.500000113.2L172L172-G175 PolarHBondContact O-N 3.26Å
176L91.9Very high94.1Very high60 Ų6034.4 Ų34.431%0.31418%0.177SC..SBendtrans-67.6141179.3-72.2179.2000111.8M83 L85 P169 L172 R178M83-L176 HydrophobicContact CB-CD1 4.16Å; M83-L176 HydrophobicContact CB-CD2 4.25Å; M83-L176 HydrophobicContact CE-CD1 4.05Å; M83-L176 HydrophobicContact CE-CD2 3.7Å; M83-L176 HydrophobicContact CE-CG 4.1Å; M83-L176 HydrophobicContact SD-CD2 3.83Å; L85-L176 HydrophobicContact CD2-CB 4.04Å; L85-L176 HydrophobicContact CD2-CD1 4.25Å; L85-L176 HydrophobicContact CD2-CD2 4.31Å; L85-L176 HydrophobicContact CD2-CG 4.45Å; P169-L176 WeakPolarHBondContact CD-O 3.27Å; L172-L176 HydrophobicContact CD2-CD2 4.33Å; L176-R178 PolarHBondContact O-N 2.8Å
177P92.6Very high94.3Very high3 Ų333.4 Ų33.42%0.01917%0.17CC..  trans-62.2129.5178.727-34.7000110.6F19 P70 F71 L74 L85 A167F19-P177 WeakPolarHBondContact CE1-O 3.45Å; F19-P177 VanDerWaalsContact CZ-O 3.29Å; F19-P177 WeakPolarHBondContact CZ-O 3.49Å; P70-P177 HydrophobicContact CB-CB 4.5Å; P70-P177 HydrophobicContact CB-CG 4.14Å; P70-P177 HydrophobicContact CG-CB 4.04Å; P70-P177 HydrophobicContact CG-CG 4.16Å; F71-P177 HydrophobicContact CD1-CG 4.12Å; F71-P177 HydrophobicContact CE1-CB 3.7Å; F71-P177 HydrophobicContact CE1-CG 3.45Å; F71-P177 VanDerWaalsContact CE1-CG 3.45Å; F71-P177 HydrophobicContact CE2-CB 4.49Å; F71-P177 HydrophobicContact CZ-CB 3.57Å; F71-P177 HydrophobicContact CZ-CG 3.89Å; L74-P177 HydrophobicContact CD1-CG 4.42Å; L85-P177 HydrophobicContact CD1-CG 4.35Å; L85-P177 HydrophobicContact CD2-CG 4.14Å; A167-P177 HydrophobicContact CB-CB 4.29Å
178R92.1Very high94.4Very high173 Ų17333 Ų3365%0.65317%0.167SC*.SBendtrans-102.2-21.3175.1-61.9-177.3-177.8178.90.7112.6R89 Y168 L176R89-R178 VanDerWaalsContact CZ-O 3.31Å; R89-R178 PolarHBondContact NH1-O 3.45Å; R89-R178 VanDerWaalsContact NH1-O 3.1Å; R89-R178 PolarHBondContact NH2-O 2.91Å; Y168-R178 CarbonylContact O-C 3.58Å; Y168-R178 WeakPolarHBondContact O-CA 3.05Å; Y168-R178 PolarHBondContact O-N 2.85Å; L176-R178 PolarHBondContact O-N 2.8Å
179H93.4Very high94.7Very high46 Ų4632.5 Ų32.521%0.21317%0.167CC..EExtended strand (participates in β ladder)trans-129.8145.7175.6-59.6-92.5000110.5I117 A167 Y168 H181I117-H179 WeakPolarHBondContact CD1-NE2 3.19Å; A167-H179 WeakPolarHBondContact CA-O 3.37Å; Y168-H179 PolarHBondContact N-O 3.04Å; Y168-H179 VanDerWaalsContact N-O 3.12Å; Y168-H179 PolarHBondContact O-N 3.03Å; H179-H181 WeakPolarHBondContact CB-CE1 3.26Å
180H95.1Very high94.9Very high1 Ų132 Ų321%0.00516%0.164CC..EExtended strand (participates in β ladder)trans-134.8113.8176.3-169161.5000107.4F19 Q21 F71 E92 E165F19-H180 HydrophobicContact CD2-CB 3.69Å; F19-H180 HydrophobicContact CE2-CB 3.65Å; F19-H180 HydrophobicContact CZ-CB 4.45Å; F19-H180 PolarHBondContact O-ND1 2.91Å; Q21-H180 PolarHBondContact O-CE1 3.13Å; F71-H180 AromaticContact CD1-ND1 3.88Å; F71-H180 AromaticContact CD2-CD2 3.9Å; F71-H180 AromaticContact CD2-CE1 3.45Å; F71-H180 VanDerWaalsContact CD2-CE1 3.45Å; F71-H180 WeakPolarHBondContact CD2-CE1 3.27Å; F71-H180 AromaticContact CD2-CG 3.91Å; F71-H180 AromaticContact CD2-ND1 3.63Å; F71-H180 AromaticContact CD2-NE2 3.65Å; F71-H180 HydrophobicContact CE1-CB 4.23Å; F71-H180 AromaticContact CE1-ND1 3.67Å; F71-H180 HydrophobicContact CE2-CB 3.74Å; F71-H180 AromaticContact CE2-CD2 3.47Å; F71-H180 VanDerWaalsContact CE2-CD2 3.47Å; F71-H180 WeakPolarHBondContact CE2-CD2 3.12Å; F71-H180 AromaticContact CE2-CE1 3.66Å; F71-H180 AromaticContact CE2-CG 3.27Å; F71-H180 AromaticContact CE2-ND1 3.39Å; F71-H180 WeakPolarHBondContact CE2-ND1 3.46Å; F71-H180 AromaticContact CE2-NE2 3.73Å; F71-H180 AromaticContact CG-CE1 3.75Å; F71-H180 AromaticContact CG-ND1 3.88Å; F71-H180 HydrophobicContact CZ-CB 3.43Å; F71-H180 VanDerWaalsContact CZ-CB 3.43Å; F71-H180 AromaticContact CZ-CG 3.39Å; F71-H180 AromaticContact CZ-ND1 3.43Å; F71-H180 WeakPolarHBondContact CZ-ND1 3.1Å; E92-H180 PolarHBondContact N-O 3.45Å; E165-H180 IonicContact OE1-CE1 3.63Å; E165-H180 IonicContact OE1-NE2 3.47Å; E165-H180 PolarHBondContact OE1-NE2 2.94Å
181H95.4Very high95.2Very high14 Ų1437.2 Ų37.27%0.06519%0.186CC..EExtended strand (participates in β ladder)trans-120.3147.7-179.1-49.3111000111.2E92 H128 S166 H179 F183E92-H181 CarbonylContact O-C 3.49Å; E92-H181 VanDerWaalsContact O-CA 3.24Å; E92-H181 WeakPolarHBondContact O-CA 2.98Å; E92-H181 IonicContact OE2-CD2 3.55Å; E92-H181 PolarHBondContact OE2-CD2 2.94Å; E92-H181 IonicContact OE2-NE2 3.74Å; E92-H181 PolarHBondContact OE2-NE2 3.28Å; H128-H181 AromaticContact CD2-CD2 3.88Å; H128-H181 AromaticContact CE1-NE2 3.74Å; H128-H181 AromaticContact NE2-CD2 3.18Å; H128-H181 PolarHBondContact NE2-CD2 3.04Å; H128-H181 AromaticContact NE2-NE2 2.98Å; H128-H181 PolarHBondContact NE2-NE2 3.26Å; S166-H181 PolarHBondContact N-O 2.97Å; S166-H181 PolarHBondContact O-N 3.16Å; H179-H181 WeakPolarHBondContact CB-CE1 3.26Å; H181-F183 HydrophobicContact CB-CD2 3.76Å; H181-F183 HydrophobicContact CB-CE2 3.54Å; H181-F183 AromaticContact CG-CE2 3.87Å
182L96.9Very high95.5Very high0 Ų036.8 Ų36.80%019%0.186CC..EExtended strand (participates in β ladder)trans-112.9110.3158.4-170.973.8000108.3L6 V23 L47 L49 I63 V91 E92 V93 G94 L163 W164 E165L6-L182 HydrophobicContact CD1-CD2 3.8Å; L6-L182 HydrophobicContact CD2-CB 4.39Å; L6-L182 HydrophobicContact CD2-CD2 4.03Å; V23-L182 HydrophobicContact CG1-CD1 4.4Å; V23-L182 HydrophobicContact CG1-CD2 4.46Å; L47-L182 HydrophobicContact CD2-CD2 3.88Å; L49-L182 HydrophobicContact CD1-CD2 3.57Å; I63-L182 HydrophobicContact CD1-CD1 3.9Å; I63-L182 HydrophobicContact CG1-CD1 4.44Å; V91-L182 HydrophobicContact CG1-CB 4.11Å; E92-L182 PolarHBondContact O-N 2.78Å; V93-L182 WeakPolarHBondContact CA-O 3.08Å; G94-L182 PolarHBondContact N-O 2.83Å; G94-L182 VanDerWaalsContact N-O 3.07Å; L163-L182 HydrophobicContact CB-CD1 4.41Å; L163-L182 HydrophobicContact CD2-CD2 4.03Å; L163-L182 HydrophobicContact CD2-CG 4.19Å; W164-L182 WeakPolarHBondContact O-CA 3.27Å; E165-L182 HydrophobicContact CB-CD1 4.21Å
183F97.3Very high95.8Very high41 Ų4134.7 Ų34.718%0.1818%0.176CC..EExtended strand (participates in β ladder)trans-89.8131.4177.2-84.5-86.7000110.7G94 A96 L163 W164 H181G94-F183 CarbonylContact O-C 3.56Å; G94-F183 WeakPolarHBondContact O-CA 3.26Å; A96-F183 HydrophobicContact CB-CD1 4.24Å; L163-F183 CarbonylContact C-O 3.51Å; L163-F183 VanDerWaalsContact CA-O 3.27Å; L163-F183 WeakPolarHBondContact CA-O 3.16Å; W164-F183 HydrophobicContact CB-CB 4.47Å; W164-F183 PolarHBondContact N-O 2.74Å; W164-F183 PolarHBondContact O-N 2.87Å; H181-F183 HydrophobicContact CB-CD2 3.76Å; H181-F183 HydrophobicContact CB-CE2 3.54Å; H181-F183 AromaticContact CG-CE2 3.87Å
184L97.6Very high96.2Very high3 Ų333.2 Ų33.22%0.01616%0.16CC..EExtended strand (participates in β ladder)trans-99.1120.1166.9178.462.4000108.9L61 G94 V95 A96 I135 L160 L163L61-L184 HydrophobicContact CD1-CD1 3.68Å; G94-L184 PolarHBondContact O-N 3.04Å; V95-L184 WeakPolarHBondContact CA-O 3.49Å; A96-L184 PolarHBondContact N-O 2.88Å; I135-L184 HydrophobicContact CB-CD2 4.29Å; I135-L184 HydrophobicContact CD1-CD2 3.53Å; I135-L184 HydrophobicContact CG1-CD2 3.79Å; I135-L184 HydrophobicContact CG2-CD2 3.51Å; I135-L184 HydrophobicContact CG2-CG 4.41Å; L160-L184 HydrophobicContact CD2-CD2 4.13Å; L160-L184 HydrophobicContact CD2-CG 4.47Å; L163-L184 HydrophobicContact CD2-CB 3.91Å; L163-L184 HydrophobicContact CD2-CD1 3.69Å; L163-L184 HydrophobicContact CD2-CG 4.35Å; L163-L184 HydrophobicContact CG-CD1 4.04Å
185F98.6Very high96.5Very high7 Ų738.5 Ų38.53%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-87.8129.3174.9-68.3-69.5000110.5A96 P124 L161 G162 W164 G280 F283 A284A96-F185 HydrophobicContact CB-CD1 3.67Å; A96-F185 HydrophobicContact CB-CE1 3.61Å; A96-F185 WeakPolarHBondContact O-CA 3.33Å; P124-F185 HydrophobicContact CG-CD1 4.28Å; P124-F185 HydrophobicContact CG-CE1 3.81Å; L161-F185 HydrophobicContact CB-CB 4.11Å; L161-F185 HydrophobicContact CD1-CB 4.48Å; L161-F185 PolarHBondContact N-O 2.96Å; G162-F185 PolarHBondContact O-N 2.85Å; W164-F185 HydrophobicContact CB-CD2 4.32Å; W164-F185 HydrophobicContact CB-CE2 3.56Å; W164-F185 HydrophobicContact CB-CZ 4.4Å; W164-F185 HydrophobicContact CG-CE2 4.22Å; F185-G280 WeakPolarHBondContact CE2-O 3.34Å; F185-G280 VanDerWaalsContact CZ-O 3.25Å; F185-G280 WeakPolarHBondContact CZ-O 3.39Å; F185-F283 HydrophobicContact CD2-CD1 4.03Å; F185-F283 HydrophobicContact CD2-CE1 4.25Å; F185-F283 AromaticContact CE2-CD1 3.93Å; F185-F283 HydrophobicContact CE2-CD1 3.93Å; F185-F283 HydrophobicContact CE2-CE1 4.48Å; F185-A284 HydrophobicContact CB-CB 4.18Å; F185-A284 HydrophobicContact CD1-CB 3.53Å; F185-A284 HydrophobicContact CD2-CB 3.78Å; F185-A284 HydrophobicContact CE1-CB 3.77Å; F185-A284 HydrophobicContact CE2-CB 3.97Å; F185-A284 HydrophobicContact CG-CB 3.55Å; F185-A284 HydrophobicContact CZ-CB 3.98Å
186V98.4Very high96.8Very high2 Ų241.8 Ų41.81%0.01219%0.193CC..EExtended strand (participates in β ladder)trans-116.6126.3176.4-1750000108.2V95 A96 V97 I98 I135 C158 L160 V188V95-V186 HydrophobicContact CG1-CG2 3.74Å; A96-V186 PolarHBondContact O-N 3.35Å; V97-V186 WeakPolarHBondContact CA-O 3.49Å; I98-V186 PolarHBondContact N-O 3.02Å; I135-V186 HydrophobicContact CG2-CG2 3.69Å; C158-V186 HydrophobicContact CB-CG1 4.2Å; L160-V186 HydrophobicContact CD2-CG1 4.45Å; L160-V186 HydrophobicContact CD2-CG2 3.76Å; V186-V188 HydrophobicContact CG1-CG2 4.2Å
187L98.8Very high97.1Very high0 Ų039 Ų390%018%0.178CC..EExtended strand (participates in β ladder)trans-82.1121.8167.5176.560.2000108.2I98 Q100 C158 V159 L161 I189 H291I98-L187 HydrophobicContact CB-CD1 4.21Å; I98-L187 HydrophobicContact CG2-CD1 3.84Å; I98-L187 WeakPolarHBondContact O-CA 3.04Å; I98-L187 WeakPolarHBondContact O-CD1 3.46Å; Q100-L187 HydrophobicContact CB-CD1 3.9Å; C158-L187 CarbonylContact C-O 3.55Å; C158-L187 WeakPolarHBondContact CA-O 3.49Å; V159-L187 HydrophobicContact CB-CB 4.42Å; V159-L187 PolarHBondContact N-O 2.79Å; V159-L187 PolarHBondContact O-N 3.33Å; L161-L187 HydrophobicContact CD1-CB 3.9Å; L161-L187 HydrophobicContact CD2-CB 3.86Å; L161-L187 HydrophobicContact CD2-CD2 4.26Å; L161-L187 HydrophobicContact CG-CB 3.74Å; L187-I189 HydrophobicContact CD1-CG1 4.2Å; L187-I189 HydrophobicContact CD2-CD1 3.87Å; L187-I189 HydrophobicContact CD2-CG1 3.9Å; L187-I189 HydrophobicContact CG-CD1 4.2Å; L187-I189 HydrophobicContact CG-CG1 3.68Å; L187-H291 HydrophobicContact CD2-CB 4.31Å; L187-H291 WeakPolarHBondContact CD2-CD2 3.46Å
188V98.6Very high97.3Very high0 Ų042.5 Ų42.50%019%0.194CC..EExtended strand (participates in β ladder)trans-110.9114171.5176.50000107.7V97 I98 L99 Q100 L136 L151 F156 S157 V186V97-V188 HydrophobicContact CG1-CB 3.85Å; V97-V188 HydrophobicContact CG1-CG2 3.62Å; I98-V188 PolarHBondContact O-N 2.93Å; L99-V188 HydrophobicContact CD1-CB 4.31Å; L99-V188 HydrophobicContact CD1-CG1 4.05Å; Q100-V188 PolarHBondContact N-O 2.78Å; L136-V188 HydrophobicContact CD1-CG2 4.35Å; L151-V188 HydrophobicContact CD1-CG1 3.47Å; L151-V188 VanDerWaalsContact CD1-CG1 3.47Å; F156-V188 HydrophobicContact CB-CG1 3.98Å; F156-V188 HydrophobicContact CD2-CG1 3.75Å; F156-V188 HydrophobicContact CG-CG1 3.99Å; S157-V188 WeakPolarHBondContact O-CA 3.36Å; V186-V188 HydrophobicContact CG1-CG2 4.2Å
189I98.6Very high97.5Very high35 Ų3538.3 Ų38.318%0.17920%0.196CC..EExtended strand (participates in β ladder)trans-100.3102.6-175.4-50.8176.3000108.1F156 S157 L187F156-I189 CarbonylContact C-O 3.49Å; F156-I189 WeakPolarHBondContact CA-O 3.27Å; F156-I189 WeakPolarHBondContact CB-O 3.36Å; S157-I189 PolarHBondContact N-O 2.81Å; S157-I189 PolarHBondContact O-N 2.9Å; L187-I189 HydrophobicContact CD1-CG1 4.2Å; L187-I189 HydrophobicContact CD2-CD1 3.87Å; L187-I189 HydrophobicContact CD2-CG1 3.9Å; L187-I189 HydrophobicContact CG-CD1 4.2Å; L187-I189 HydrophobicContact CG-CG1 3.68Å
190S98.4Very high97.6Very high3 Ų340 Ų402%0.02120%0.201CC..EExtended strand (participates in β ladder)trans-80146.1177.3-172.20000111.5Q100 S102 E192Q100-S190 PolarHBondContact O-N 2.82Å; S102-S190 PolarHBondContact N-O 3.17Å; S190-E192 VanDerWaalsContact C-N 3.25Å; S190-E192 WeakPolarHBondContact OG-CB 3.42Å; S190-E192 PolarHBondContact OG-N 2.74Å; S190-E192 VanDerWaalsContact OG-N 3.09Å
191Q98.3Very high97.6Very high133 Ų13341 Ų4162%0.62121%0.206SC*.SBendtrans-78.8-11.7168-65.9174.431.100112.3N154 Q155N154-Q191 PolarHBondContact O-NE2 2.88Å; Q155-Q191 WeakPolarHBondContact O-CB 3.49Å; Q155-Q191 WeakPolarHBondContact O-CG 3.46Å; Q155-Q191 PolarHBondContact O-N 3.4Å
192E98.4Very high97.5Very high20 Ų2047.6 Ų47.69%0.09324%0.237CC..SBendtrans-81.7145.7177.8-65174.7-97.700111.7S102 S190 Q196 L197 R200S102-E192 PolarHBondContact N-O 3.48Å; S102-E192 PolarHBondContact OG-O 3.44Å; S190-E192 VanDerWaalsContact C-N 3.25Å; S190-E192 WeakPolarHBondContact OG-CB 3.42Å; S190-E192 PolarHBondContact OG-N 2.74Å; S190-E192 VanDerWaalsContact OG-N 3.09Å; E192-Q196 HydrophobicContact CB-CB 4.1Å; E192-L197 HydrophobicContact CB-CD1 4.36Å; E192-L197 HydrophobicContact CB-CD2 4.06Å; E192-L197 HydrophobicContact CB-CG 3.85Å; E192-R200 IonicContact OE1-CZ 2.74Å; E192-R200 IonicContact OE1-NH2 3.93Å; E192-R200 PolarHBondContact OE1-NH2 2.75Å; E192-R200 IonicContact OE2-CZ 3.89Å; E192-R200 IonicContact OE2-NE 3.67Å; E192-R200 PolarHBondContact OE2-NE 2.84Å; E192-R200 IonicContact OE2-NH2 2.96Å; E192-R200 PolarHBondContact OE2-NH2 3.32Å
193S98.4Very high97.4Very high20 Ų2048.5 Ų48.514%0.1424%0.242CC..  trans-68.9161.3173.575.30000112S102 D103 Q195 Q196 L197S102-S193 WeakPolarHBondContact OG-CA 3.36Å; S102-S193 PolarHBondContact OG-N 3.38Å; D103-S193 WeakPolarHBondContact OD2-CB 3.29Å; S193-Q195 PolarHBondContact O-N 3.11Å; S193-Q195 PolarHBondContact OG-N 2.99Å; S193-Q196 PolarHBondContact O-N 2.82Å; S193-Q196 VanDerWaalsContact O-N 3.15Å; S193-Q196 WeakPolarHBondContact OG-CG 3.23Å; S193-Q196 PolarHBondContact OG-N 3.34Å; S193-Q196 PolarHBondContact OG-OE1 2.96Å; S193-L197 WeakPolarHBondContact O-CG 3.31Å; S193-L197 PolarHBondContact O-N 2.9Å
194Q98.1Very high97.2Very high55 Ų5549.1 Ų49.126%0.25725%0.247SC..Hα-helixtrans-54.4-41.3173174.3178-4600110.5D103 T105 L197 Q198 W213D103-Q194 WeakPolarHBondContact OD2-CB 3.49Å; D103-Q194 PolarHBondContact OD2-N 3.34Å; T105-Q194 VanDerWaalsContact CB-OE1 3.27Å; T105-Q194 VanDerWaalsContact CG2-OE1 3.27Å; T105-Q194 PolarHBondContact OG1-OE1 3.32Å; Q194-L197 PolarHBondContact O-N 2.79Å; Q194-Q198 WeakPolarHBondContact O-CB 3.4Å; Q194-Q198 PolarHBondContact O-N 3.35Å; Q194-W213 VanDerWaalsContact CD-CB 3.45Å; Q194-W213 VanDerWaalsContact CD-CG 3.43Å; Q194-W213 HydrophobicContact CG-CB 4.16Å; Q194-W213 HydrophobicContact CG-CD2 3.66Å; Q194-W213 HydrophobicContact CG-CE3 4.26Å; Q194-W213 HydrophobicContact CG-CG 3.58Å; Q194-W213 VanDerWaalsContact OE1-CB 3.28Å
195Q97.7Very high97Very high158 Ų15851.8 Ų51.874%0.73827%0.265SS*.Hα-helixtrans-63.7-43.2-180-172-177.920.500111.7S193 A199S193-Q195 PolarHBondContact O-N 3.11Å; S193-Q195 PolarHBondContact OG-N 2.99Å; Q195-A199 WeakPolarHBondContact O-CB 3.34Å; Q195-A199 PolarHBondContact O-N 3.33Å
196Q97.9Very high96.8Very high104 Ų10459 Ų5949%0.48630%0.296SS..Hα-helixtrans-65.2-45.4178.6-72.5172-50.600111.7E192 S193E192-Q196 HydrophobicContact CB-CB 4.1Å; S193-Q196 PolarHBondContact O-N 2.82Å; S193-Q196 VanDerWaalsContact O-N 3.15Å; S193-Q196 WeakPolarHBondContact OG-CG 3.23Å; S193-Q196 PolarHBondContact OG-N 3.34Å; S193-Q196 PolarHBondContact OG-OE1 2.96Å
197L98.1Very high96.6Very high0 Ų062.3 Ų62.30%031%0.312CS..Hα-helixtrans-63.8-50.2176.8-69.2167.7000110.7L99 L151 E192 S193 Q194 A199 R200 I201 W213L99-L197 HydrophobicContact CD2-CD1 4.47Å; L151-L197 HydrophobicContact CD2-CD2 3.8Å; E192-L197 HydrophobicContact CB-CD1 4.36Å; E192-L197 HydrophobicContact CB-CD2 4.06Å; E192-L197 HydrophobicContact CB-CG 3.85Å; S193-L197 WeakPolarHBondContact O-CG 3.31Å; S193-L197 PolarHBondContact O-N 2.9Å; Q194-L197 PolarHBondContact O-N 2.79Å; L197-A199 VanDerWaalsContact C-N 3.27Å; L197-A199 PolarHBondContact O-N 2.94Å; L197-R200 PolarHBondContact O-N 3.47Å; L197-I201 PolarHBondContact O-N 2.74Å; L197-W213 HydrophobicContact CB-CH2 3.94Å; L197-W213 HydrophobicContact CB-CZ2 3.8Å; L197-W213 HydrophobicContact CD1-CH2 3.66Å; L197-W213 HydrophobicContact CD1-CZ2 4.38Å; L197-W213 HydrophobicContact CD1-CZ3 4.4Å; L197-W213 HydrophobicContact CG-CH2 4.43Å
198Q96.8Very high96.4Very high78 Ų7862.3 Ų62.336%0.36431%0.312SS..Hα-helixtrans-59.1-37-179.5-177.4167-65.400112.8Q194 R200 I201 F211 W213Q194-Q198 WeakPolarHBondContact O-CB 3.4Å; Q194-Q198 PolarHBondContact O-N 3.35Å; Q198-R200 PolarHBondContact O-N 3.46Å; Q198-I201 PolarHBondContact O-N 2.81Å; Q198-F211 HydrophobicContact CG-CE2 4.06Å; Q198-F211 HydrophobicContact CG-CZ 4.38Å; Q198-W213 VanDerWaalsContact OE1-CD1 3.28Å
199A95.9Very high96.3Very high85 Ų8563.7 Ų63.770%0.70232%0.319SS*.Hα-helixtrans-63.7-19.8177.500000113.8Q195 L197Q195-A199 WeakPolarHBondContact O-CB 3.34Å; Q195-A199 PolarHBondContact O-N 3.33Å; L197-A199 VanDerWaalsContact C-N 3.27Å; L197-A199 PolarHBondContact O-N 2.94Å
200R95.5Very high96.2Very high82 Ų8262.1 Ų62.131%0.30931%0.311SS..Hα-helixtrans-105-6.5-179.6-60.3-171-61.7112.4-4.8113.7L149 Q150 E192 L197 Q198 Q202L149-R200 HydrophobicContact CD2-CB 4.02Å; Q150-R200 PolarHBondContact O-NH1 3.02Å; E192-R200 IonicContact OE1-CZ 2.74Å; E192-R200 IonicContact OE1-NH2 3.93Å; E192-R200 PolarHBondContact OE1-NH2 2.75Å; E192-R200 IonicContact OE2-CZ 3.89Å; E192-R200 IonicContact OE2-NE 3.67Å; E192-R200 PolarHBondContact OE2-NE 2.84Å; E192-R200 IonicContact OE2-NH2 2.96Å; E192-R200 PolarHBondContact OE2-NH2 3.32Å; L197-R200 PolarHBondContact O-N 3.47Å; Q198-R200 PolarHBondContact O-N 3.46Å; R200-Q202 PolarHBondContact O-N 2.96Å
201I95.8Very high96.2Very high22 Ų2262.4 Ų62.411%0.11331%0.312CS..  trans-62.1125.6178.4-71.8176.1000109.3L107 C147 L149 L197 Q198 V203 F211 W213L107-I201 HydrophobicContact CD1-CD1 4.11Å; L107-I201 HydrophobicContact CD2-CD1 4.45Å; C147-I201 WeakPolarHBondContact O-CA 3.46Å; L149-I201 HydrophobicContact CD1-CD1 4.31Å; L149-I201 HydrophobicContact CD1-CG1 3.76Å; L149-I201 HydrophobicContact CD2-CG1 3.94Å; L149-I201 HydrophobicContact CG-CG1 3.89Å; L197-I201 PolarHBondContact O-N 2.74Å; Q198-I201 PolarHBondContact O-N 2.81Å; I201-V203 HydrophobicContact CG2-CG1 3.62Å; I201-F211 HydrophobicContact CB-CZ 4.33Å; I201-F211 HydrophobicContact CD1-CD2 3.83Å; I201-F211 HydrophobicContact CD1-CE2 3.66Å; I201-F211 HydrophobicContact CD1-CG 4.45Å; I201-F211 HydrophobicContact CD1-CZ 4.14Å; I201-F211 HydrophobicContact CG2-CD1 4.06Å; I201-F211 HydrophobicContact CG2-CE1 3.72Å; I201-F211 HydrophobicContact CG2-CE2 4.44Å; I201-F211 HydrophobicContact CG2-CZ 3.93Å; I201-W213 HydrophobicContact CD1-CZ2 4.28Å
202Q93.9Very high96.2Very high151 Ų15156.1 Ų56.171%0.70628%0.283SS*.  trans-130.488.5172.1-68.3178.646.700107.2C147 G148 R200C147-Q202 CarbonylContact C-O 3.59Å; C147-Q202 CarbonylContact O-C 3.56Å; C147-Q202 PolarHBondContact O-N 3.39Å; G148-Q202 PolarHBondContact N-O 3.47Å; R200-Q202 PolarHBondContact O-N 2.96Å
203V93.9Very high96.2Very high20 Ų2055.8 Ų55.812%0.12128%0.281CS..  trans-68144.6-175.7-65.60000112.1E146 I201 P205 V208 F211 L247E146-V203 CarbonylContact O-C 3.59Å; E146-V203 VanDerWaalsContact O-CA 3.26Å; E146-V203 WeakPolarHBondContact O-CA 3.1Å; I201-V203 HydrophobicContact CG2-CG1 3.62Å; V203-P205 WeakPolarHBondContact O-CD 3.3Å; V203-V208 HydrophobicContact CB-CB 4.18Å; V203-V208 HydrophobicContact CB-CG1 4.16Å; V203-V208 HydrophobicContact CG1-CB 4.36Å; V203-V208 HydrophobicContact CG1-CG1 3.88Å; V203-F211 HydrophobicContact CG1-CD1 3.73Å; V203-F211 HydrophobicContact CG1-CE1 4.21Å; V203-L247 HydrophobicContact CG2-CB 4.35Å; V203-L247 HydrophobicContact CG2-CD1 3.62Å; V203-L247 HydrophobicContact CG2-CD2 3.85Å; V203-L247 HydrophobicContact CG2-CG 4.15Å
204N94.6Very high96.1Very high53 Ų5354.9 Ų54.928%0.28327%0.274SS..  trans-84.2112.5169.4178.50.2000109.8E145 E146 K206 E207 V208E145-N204 WeakPolarHBondContact O-CB 3.29Å; E146-N204 PolarHBondContact O-N 3.5Å; N204-K206 PolarHBondContact O-N 2.78Å; N204-K206 WeakPolarHBondContact OD1-CB 3.46Å; N204-K206 PolarHBondContact OD1-N 2.93Å; N204-K206 VanDerWaalsContact OD1-N 3.15Å; N204-E207 PolarHBondContact O-N 3.14Å; N204-V208 PolarHBondContact O-N 2.85Å
205P93.4Very high96Very high59 Ų5957.7 Ų57.738%0.38329%0.287SS..THydrogen-bonded Turntrans-60.7-17.7-176.421.8-33000114.4V203 E207 L247V203-P205 WeakPolarHBondContact O-CD 3.3Å; P205-E207 VanDerWaalsContact C-N 3.34Å; P205-L247 HydrophobicContact CB-CD2 3.62Å; P205-L247 HydrophobicContact CG-CD2 4.42Å
206K93.1Very high96Very high159 Ų15951 Ų5169%0.69126%0.257SS*.THydrogen-bonded Turntrans-74.7-26.9176.5-64.1-179.6178.7176.80112.5N204N204-K206 PolarHBondContact O-N 2.78Å; N204-K206 WeakPolarHBondContact OD1-CB 3.46Å; N204-K206 PolarHBondContact OD1-N 2.93Å; N204-K206 VanDerWaalsContact OD1-N 3.15Å
207E94.3Very high95.8Very high72 Ų7251.1 Ų51.134%0.33626%0.262SS..THydrogen-bonded Turntrans-113-29.8-172.8-61.7-60.6158.300112.6P112 E146 N204 P205P112-E207 WeakPolarHBondContact CD-O 3.35Å; E146-E207 HydrophobicContact CG-CB 4.09Å; N204-E207 PolarHBondContact O-N 3.14Å; P205-E207 VanDerWaalsContact C-N 3.34Å
208V95.8Very high95.6Very high0 Ų051.3 Ų51.30%026%0.263CS..  trans-137.5128.2-172.9179.60000110.5T109 R110 E146 V203 N204 A210T109-V208 HydrophobicContact CG2-CG1 3.96Å; T109-V208 HydrophobicContact CG2-CG2 3.9Å; R110-V208 WeakPolarHBondContact O-CA 3.24Å; E146-V208 HydrophobicContact CB-CG2 3.84Å; E146-V208 HydrophobicContact CG-CG2 4.16Å; E146-V208 WeakPolarHBondContact OE2-CG2 3.13Å; V203-V208 HydrophobicContact CB-CB 4.18Å; V203-V208 HydrophobicContact CB-CG1 4.16Å; V203-V208 HydrophobicContact CG1-CB 4.36Å; V203-V208 HydrophobicContact CG1-CG1 3.88Å; N204-V208 PolarHBondContact O-N 2.85Å; V208-A210 WeakPolarHBondContact CG1-O 3.37Å
209N95.3Very high95.5Very high29 Ų2947.6 Ų47.616%0.15525%0.245CC..SBendtrans-111-11.1173.475-6.5000114.1R110 P112 L247R110-N209 WeakPolarHBondContact CB-OD1 3.18Å; R110-N209 PolarHBondContact NE-OD1 2.94Å; R110-N209 PolarHBondContact NH2-OD1 2.95Å; R110-N209 PolarHBondContact O-N 2.95Å; R110-N209 PolarHBondContact O-OD1 2.95Å; R110-N209 VanDerWaalsContact O-OD1 3.11Å; P112-N209 HydrophobicContact CB-CB 4.29Å; P112-N209 HydrophobicContact CG-CB 4.11Å; N209-L247 PolarHBondContact O-N 3.42Å
210A96.9Very high95.4Very high1 Ų144.7 Ų44.71%0.00822%0.221CC..EExtended strand (participates in β ladder)trans-156.5159.5171.900000110.7T109 R110 W122 V208 T245 E246T109-A210 CarbonylContact C-O 3.54Å; T109-A210 WeakPolarHBondContact CA-O 3.42Å; R110-A210 HydrophobicContact CB-CB 3.97Å; R110-A210 PolarHBondContact N-O 2.86Å; W122-A210 HydrophobicContact CH2-CB 3.59Å; W122-A210 HydrophobicContact CZ2-CB 4.18Å; W122-A210 HydrophobicContact CZ3-CB 4.37Å; V208-A210 WeakPolarHBondContact CG1-O 3.37Å; A210-T245 CarbonylContact C-O 3.56Å; A210-T245 WeakPolarHBondContact CA-O 3.1Å; A210-T245 WeakPolarHBondContact CB-O 3.47Å; A210-E246 HydrophobicContact CB-CB 4.25Å; A210-E246 HydrophobicContact CB-CG 4.46Å
211F97.9Very high95.3Very high9 Ų940.9 Ų40.94%0.03921%0.207CC..EExtended strand (participates in β ladder)trans-142155.6172.966.5-90.8000111.1L107 L108 T109 Q198 I201 V203 A244 T245L107-F211 HydrophobicContact CD1-CB 4.07Å; L107-F211 HydrophobicContact CD1-CD2 4.03Å; L107-F211 HydrophobicContact CD1-CG 4.44Å; L108-F211 CarbonylContact O-C 3.56Å; L108-F211 WeakPolarHBondContact O-CA 3.26Å; L108-F211 WeakPolarHBondContact O-CB 3.28Å; T109-F211 HydrophobicContact CG2-CB 4.39Å; Q198-F211 HydrophobicContact CG-CE2 4.06Å; Q198-F211 HydrophobicContact CG-CZ 4.38Å; I201-F211 HydrophobicContact CB-CZ 4.33Å; I201-F211 HydrophobicContact CD1-CD2 3.83Å; I201-F211 HydrophobicContact CD1-CE2 3.66Å; I201-F211 HydrophobicContact CD1-CG 4.45Å; I201-F211 HydrophobicContact CD1-CZ 4.14Å; I201-F211 HydrophobicContact CG2-CD1 4.06Å; I201-F211 HydrophobicContact CG2-CE1 3.72Å; I201-F211 HydrophobicContact CG2-CE2 4.44Å; I201-F211 HydrophobicContact CG2-CZ 3.93Å; V203-F211 HydrophobicContact CG1-CD1 3.73Å; V203-F211 HydrophobicContact CG1-CE1 4.21Å; F211-A244 WeakPolarHBondContact O-CB 3.28Å; F211-T245 HydrophobicContact CD1-CG2 4.37Å; F211-T245 HydrophobicContact CE1-CG2 3.51Å; F211-T245 HydrophobicContact CE2-CG2 4.36Å; F211-T245 HydrophobicContact CZ-CG2 3.52Å; F211-T245 PolarHBondContact N-O 3.07Å; F211-T245 PolarHBondContact O-N 3.28Å
212M97.9Very high95.2Very high2 Ų239.8 Ų39.81%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-145.315917772.2173.675.900111.8L107 L108 W122 L214 L242 A244 L258 L263L107-M212 WeakPolarHBondContact CA-O 3.43Å; L108-M212 HydrophobicContact CB-CG 4.15Å; L108-M212 PolarHBondContact N-O 3.42Å; L108-M212 PolarHBondContact O-N 3.31Å; W122-M212 HydrophobicContact CD2-CE 3.39Å; W122-M212 HydrophobicContact CE3-CE 3.41Å; W122-M212 VanDerWaalsContact CE3-CE 3.41Å; W122-M212 HydrophobicContact CE3-CG 4.09Å; W122-M212 HydrophobicContact CE3-SD 4.41Å; W122-M212 HydrophobicContact CG-CE 4.21Å; W122-M212 HydrophobicContact CH2-CB 4.43Å; W122-M212 HydrophobicContact CH2-CE 3.36Å; W122-M212 HydrophobicContact CH2-CG 4.48Å; W122-M212 HydrophobicContact CZ2-CE 3.33Å; W122-M212 HydrophobicContact CZ3-CB 4.11Å; W122-M212 HydrophobicContact CZ3-CE 3.38Å; W122-M212 HydrophobicContact CZ3-CG 3.85Å; W122-M212 HydrophobicContact CZ3-SD 4.45Å; M212-L214 HydrophobicContact CG-CD2 4.3Å; M212-L214 HydrophobicContact CG-CG 4.43Å; M212-L214 HydrophobicContact SD-CD2 3.53Å; M212-L214 VanDerWaalsContact SD-CD2 3.53Å; M212-L214 HydrophobicContact SD-CG 4.16Å; M212-L242 HydrophobicContact CB-CD2 3.97Å; M212-L242 HydrophobicContact CG-CD2 4.42Å; M212-L242 HydrophobicContact SD-CD2 3.83Å; M212-A244 HydrophobicContact CB-CB 3.8Å; M212-A244 HydrophobicContact CE-CB 4.49Å; M212-L258 HydrophobicContact CE-CD1 4.04Å; M212-L258 HydrophobicContact CE-CD2 4.01Å; M212-L263 HydrophobicContact CE-CD2 3.62Å; M212-L263 HydrophobicContact SD-CD1 4.2Å; M212-L263 HydrophobicContact SD-CD2 3.93Å
213W98.2Very high95.1Very high13 Ų1332.9 Ų32.95%0.04917%0.17CC..EExtended strand (participates in β ladder)trans-107.7127.4169.3-67.392.4000109.5L99 V106 L107 Q194 L197 Q198 I201L99-W213 HydrophobicContact CD2-CH2 4.06Å; L99-W213 HydrophobicContact CG-CH2 4.29Å; V106-W213 CarbonylContact O-C 3.6Å; V106-W213 WeakPolarHBondContact O-CA 3.34Å; L107-W213 HydrophobicContact CB-CD2 4.45Å; L107-W213 HydrophobicContact CB-CE3 4.18Å; L107-W213 HydrophobicContact CB-CH2 3.98Å; L107-W213 HydrophobicContact CB-CZ2 4.28Å; L107-W213 HydrophobicContact CB-CZ3 3.94Å; L107-W213 HydrophobicContact CD1-CD2 4.38Å; L107-W213 HydrophobicContact CD1-CZ2 4.14Å; Q194-W213 VanDerWaalsContact CD-CB 3.45Å; Q194-W213 VanDerWaalsContact CD-CG 3.43Å; Q194-W213 HydrophobicContact CG-CB 4.16Å; Q194-W213 HydrophobicContact CG-CD2 3.66Å; Q194-W213 HydrophobicContact CG-CE3 4.26Å; Q194-W213 HydrophobicContact CG-CG 3.58Å; Q194-W213 VanDerWaalsContact OE1-CB 3.28Å; L197-W213 HydrophobicContact CB-CH2 3.94Å; L197-W213 HydrophobicContact CB-CZ2 3.8Å; L197-W213 HydrophobicContact CD1-CH2 3.66Å; L197-W213 HydrophobicContact CD1-CZ2 4.38Å; L197-W213 HydrophobicContact CD1-CZ3 4.4Å; L197-W213 HydrophobicContact CG-CH2 4.43Å; Q198-W213 VanDerWaalsContact OE1-CD1 3.28Å; I201-W213 HydrophobicContact CD1-CZ2 4.28Å
214L97.5Very high94.8Very high0 Ų032.5 Ų32.50%017%0.169CC..EExtended strand (participates in β ladder)trans-101.5128.1177.8-67.4-174.8000111T105 V106 L108 M212 V218 A219 L242 L263 L285T105-L214 CarbonylContact C-O 3.56Å; T105-L214 WeakPolarHBondContact CA-O 3Å; T105-L214 WeakPolarHBondContact CB-O 3.31Å; V106-L214 HydrophobicContact CG2-CB 3.99Å; V106-L214 PolarHBondContact N-O 3.42Å; V106-L214 PolarHBondContact O-N 3.45Å; L108-L214 HydrophobicContact CD1-CD1 3.43Å; L108-L214 VanDerWaalsContact CD1-CD1 3.43Å; L108-L214 HydrophobicContact CD1-CG 4.19Å; L108-L214 HydrophobicContact CG-CD1 4.12Å; M212-L214 HydrophobicContact CG-CD2 4.3Å; M212-L214 HydrophobicContact CG-CG 4.43Å; M212-L214 HydrophobicContact SD-CD2 3.53Å; M212-L214 VanDerWaalsContact SD-CD2 3.53Å; M212-L214 HydrophobicContact SD-CG 4.16Å; L214-V218 HydrophobicContact CD2-CG1 3.84Å; L214-A219 HydrophobicContact CB-CB 4.49Å; L214-L242 HydrophobicContact CD2-CD1 4.01Å; L214-L263 HydrophobicContact CD2-CD1 4.22Å; L214-L285 HydrophobicContact CD1-CD1 3.9Å; L214-L285 HydrophobicContact CD1-CD2 4.38Å
215E96.6Very high94.1Very high115 Ų11533.6 Ų33.654%0.53717%0.169SC..  trans-76.1158.4167.5-66.2178.6176.600111.3T105 D217 V218 A219T105-E215 HydrophobicContact CG2-CG 3.92Å; E215-D217 VanDerWaalsContact C-N 3.33Å; E215-D217 PolarHBondContact O-N 2.83Å; E215-V218 PolarHBondContact O-N 3.08Å; E215-A219 WeakPolarHBondContact O-CB 3.17Å; E215-A219 PolarHBondContact O-N 3.28Å
216P96.1Very high92.9Very high17 Ų1732.3 Ų32.311%0.1116%0.158CC..Hα-helixtrans-55.6-41.6-177.3-27.736.1000114.2Q104 A219 A220 W288 L289 L292Q104-P216 HydrophobicContact CB-CG 4.47Å; Q104-P216 WeakPolarHBondContact O-CD 3.25Å; Q104-P216 WeakPolarHBondContact O-CG 3.46Å; P216-A219 PolarHBondContact O-N 3.35Å; P216-A220 WeakPolarHBondContact O-CB 3.43Å; P216-A220 PolarHBondContact O-N 2.87Å; P216-W288 HydrophobicContact CB-CH2 4.29Å; P216-W288 HydrophobicContact CG-CH2 3.9Å; P216-W288 HydrophobicContact CG-CZ2 4.4Å; P216-L289 HydrophobicContact CB-CD2 3.96Å; P216-L289 WeakPolarHBondContact O-CD2 3.34Å; P216-L292 HydrophobicContact CG-CD1 4.29Å
217D93.5Very high91.4Very high107 Ų10727.6 Ų27.657%0.57214%0.14SC*.Hα-helixtrans-68.9-39.4-177-66.5-15.7000111.8E215 A220 A221E215-D217 VanDerWaalsContact C-N 3.33Å; E215-D217 PolarHBondContact O-N 2.83Å; D217-A220 PolarHBondContact O-N 2.91Å; D217-A221 PolarHBondContact O-N 2.95Å; D217-A221 VanDerWaalsContact O-N 3.16Å
218V94.6Very high89.9Confident4 Ų426.8 Ų26.82%0.02415%0.151CC..Hα-helixtrans-66.7-45.1174.8-178.70000110.2L214 E215 A220 A221 V222 L238 L242 M260 L263L214-V218 HydrophobicContact CD2-CG1 3.84Å; E215-V218 PolarHBondContact O-N 3.08Å; V218-A220 VanDerWaalsContact C-N 3.3Å; V218-A220 PolarHBondContact O-N 3.06Å; V218-A221 PolarHBondContact O-N 3.13Å; V218-V222 HydrophobicContact CG1-CG2 4.43Å; V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.44Å; V218-V222 PolarHBondContact O-N 3.11Å; V218-L238 HydrophobicContact CG2-CD2 4.36Å; V218-L242 HydrophobicContact CG1-CD1 4.14Å; V218-L242 HydrophobicContact CG2-CD1 4.32Å; V218-M260 HydrophobicContact CG1-CE 3.77Å; V218-M260 HydrophobicContact CG1-SD 4.01Å; V218-L263 HydrophobicContact CG1-CD1 4.24Å
219A95.4Very high88.2Confident0 Ų030.9 Ų30.90%018%0.176CC..Hα-helixtrans-61.4-37.9176.500000112.4L214 E215 P216 V222 A223 L285 W288 L289L214-A219 HydrophobicContact CB-CB 4.49Å; E215-A219 WeakPolarHBondContact O-CB 3.17Å; E215-A219 PolarHBondContact O-N 3.28Å; P216-A219 PolarHBondContact O-N 3.35Å; A219-V222 PolarHBondContact O-N 3.15Å; A219-A223 VanDerWaalsContact O-CB 3.23Å; A219-A223 WeakPolarHBondContact O-CB 3.05Å; A219-A223 PolarHBondContact O-N 2.99Å; A219-L285 HydrophobicContact CB-CB 4.49Å; A219-L285 HydrophobicContact CB-CD1 4.4Å; A219-L285 HydrophobicContact CB-CD2 4.18Å; A219-W288 HydrophobicContact CB-CE3 4.09Å; A219-W288 HydrophobicContact CB-CZ3 3.51Å; A219-L289 HydrophobicContact CB-CD1 4.4Å
220A93.8Very high86.8Confident23 Ų2333 Ų3319%0.1919%0.185CC..Hα-helixtrans-62.7-44176.900000111.5P216 D217 V218 A224 L234 L289P216-A220 WeakPolarHBondContact O-CB 3.43Å; P216-A220 PolarHBondContact O-N 2.87Å; D217-A220 PolarHBondContact O-N 2.91Å; V218-A220 VanDerWaalsContact C-N 3.3Å; V218-A220 PolarHBondContact O-N 3.06Å; A220-A224 WeakPolarHBondContact O-CB 3.18Å; A220-A224 PolarHBondContact O-N 3.21Å; A220-A224 VanDerWaalsContact O-N 3.07Å; A220-L234 HydrophobicContact CB-CD2 4.17Å; A220-L289 VanDerWaalsContact CA-CD1 3.42Å; A220-L289 HydrophobicContact CB-CD1 3.8Å
221A92.8Very high85.2Confident2 Ų236.4 Ų36.42%0.01721%0.206CC..Hα-helixtrans-64.3-42.4174.800000112.4D217 V218 R225 L238 L264D217-A221 PolarHBondContact O-N 2.95Å; D217-A221 VanDerWaalsContact O-N 3.16Å; V218-A221 PolarHBondContact O-N 3.13Å; A221-R225 WeakPolarHBondContact O-CG 3.49Å; A221-L238 HydrophobicContact CB-CD1 3.43Å; A221-L238 VanDerWaalsContact CB-CD1 3.43Å; A221-L238 HydrophobicContact CB-CD2 3.93Å; A221-L238 HydrophobicContact CB-CG 4.26Å; A221-L264 HydrophobicContact CB-CD2 3.97Å
222V93.4Very high83.4Confident0 Ų042.4 Ų42.40%024%0.238CC..Hα-helixtrans-64.2-43.7177.8168.70000111.6V218 A219 L263 L264 V277 K282 L285V218-V222 HydrophobicContact CG1-CG2 4.43Å; V218-V222 VanDerWaalsContact O-CG2 3.31Å; V218-V222 WeakPolarHBondContact O-CG2 3.44Å; V218-V222 PolarHBondContact O-N 3.11Å; A219-V222 PolarHBondContact O-N 3.15Å; V222-L263 HydrophobicContact CG2-CB 3.77Å; V222-L264 HydrophobicContact CG2-CD2 4.37Å; V222-V277 HydrophobicContact CG1-CB 4.03Å; V222-V277 HydrophobicContact CG1-CG1 3.92Å; V222-V277 HydrophobicContact CG1-CG2 3.95Å; V222-K282 HydrophobicContact CG1-CG 4.03Å; V222-K282 WeakPolarHBondContact O-CD 3.37Å; V222-L285 HydrophobicContact CB-CD1 4.5Å; V222-L285 HydrophobicContact CG1-CD1 3.94Å
223A92.3Very high82Confident6 Ų652.3 Ų52.35%0.0528%0.275CS..Hα-helixtrans-66.5-38.8-179.800000112.6A219 R225 L285 K286A219-A223 VanDerWaalsContact O-CB 3.23Å; A219-A223 WeakPolarHBondContact O-CB 3.05Å; A219-A223 PolarHBondContact O-N 2.99Å; A223-R225 VanDerWaalsContact C-N 3.27Å; A223-R225 PolarHBondContact O-N 3.19Å; A223-L285 HydrophobicContact CB-CB 4.34Å; A223-K286 HydrophobicContact CB-CB 4.14Å
224A87.3Confident80.7Confident11 Ų1154.7 Ų54.79%0.09129%0.289CS..Hα-helixtrans-68.3-22-176.900000114.4A220 E226 G228 T229 L234A220-A224 WeakPolarHBondContact O-CB 3.18Å; A220-A224 PolarHBondContact O-N 3.21Å; A220-A224 VanDerWaalsContact O-N 3.07Å; A224-E226 PolarHBondContact O-N 3.09Å; A224-G228 PolarHBondContact O-N 3.14Å; A224-T229 PolarHBondContact O-N 3.04Å; A224-L234 HydrophobicContact CB-CD1 4.01Å
225R79.8Confident79.5Confident77 Ų7757.5 Ų57.529%0.29130%0.304SS..Hα-helixtrans-71.2-28.2-171.3-76.1-68.1-99-177.8-9.6115.2A221 A223 E230 L264A221-R225 WeakPolarHBondContact O-CG 3.49Å; A223-R225 VanDerWaalsContact C-N 3.27Å; A223-R225 PolarHBondContact O-N 3.19Å; R225-E230 VanDerWaalsContact CD-OE2 3.27Å; R225-E230 WeakPolarHBondContact CD-OE2 3.3Å; R225-E230 IonicContact CZ-OE1 3.26Å; R225-E230 VanDerWaalsContact NH1-CD 3.31Å; R225-E230 IonicContact NH1-OE1 3.46Å; R225-E230 PolarHBondContact NH1-OE1 2.95Å; R225-E230 IonicContact NH1-OE2 2.64Å; R225-L264 HydrophobicContact CG-CB 4.2Å; R225-L264 HydrophobicContact CG-CD2 3.8Å; R225-L264 PolarHBondContact NE-O 3Å
226E69.4Low78.2Confident31 Ų3158.9 Ų58.915%0.14531%0.31CS..Hα-helixtrans-83.7-29.8179.9-153.685.8-17000112.6F68 A224 G228 T279 K282F68-E226 WeakPolarHBondContact CE1-OE1 3.17Å; A224-E226 PolarHBondContact O-N 3.09Å; E226-G228 PolarHBondContact O-N 2.99Å; E226-T279 HydrophobicContact CB-CG2 4.36Å; E226-T279 HydrophobicContact CG-CG2 3.56Å; E226-K282 HydrophobicContact CB-CD 3.89Å; E226-K282 IonicContact OE2-NZ 2.68Å; E226-K282 PolarHBondContact OE2-NZ 3.2Å
227D61.6Low77.3Confident60 Ų6061.8 Ų61.832%0.32134%0.343SS..Hα-helixtrans-79.7-9.6178.9-69.5-15.3000112.1T229 K286D227-T229 HydrophobicContact CB-CG2 3.94Å; D227-T229 PolarHBondContact O-N 3.26Å; D227-K286 IonicContact OD2-NZ 2.74Å; D227-K286 PolarHBondContact OD2-NZ 3.28Å
228G62.4Low76.9Confident55 Ų5558.4 Ų58.457%0.56733%0.325SS*.THydrogen-bonded Turntrans65.816.4-17300000113.1A224 E226 E230A224-G228 PolarHBondContact O-N 3.14Å; E226-G228 PolarHBondContact O-N 2.99Å; G228-E230 VanDerWaalsContact C-N 3.31Å
229T59.7Low76.6Confident86 Ų8660.9 Ų60.953%0.52834%0.341SS..  trans-9414.7-178.758.30000112.6A224 D227 T231A224-T229 PolarHBondContact O-N 3.04Å; D227-T229 HydrophobicContact CB-CG2 3.94Å; D227-T229 PolarHBondContact O-N 3.26Å; T229-T231 PolarHBondContact O-N 3.11Å
230E66.1Low76.3Confident74 Ų7466.4 Ų66.435%0.34638%0.377SS..  trans-55.2130174.660-132.8-138.800111.7R225 G228R225-E230 VanDerWaalsContact CD-OE2 3.27Å; R225-E230 WeakPolarHBondContact CD-OE2 3.3Å; R225-E230 IonicContact CZ-OE1 3.26Å; R225-E230 VanDerWaalsContact NH1-CD 3.31Å; R225-E230 IonicContact NH1-OE1 3.46Å; R225-E230 PolarHBondContact NH1-OE1 2.95Å; R225-E230 IonicContact NH1-OE2 2.64Å; G228-E230 VanDerWaalsContact C-N 3.31Å
231T62.6Low76.3Confident73 Ų7367.3 Ų67.345%0.44838%0.382SS..  trans-103.1144.4167.7610000108.7T229 R233 L234T229-T231 PolarHBondContact O-N 3.11Å; T231-R233 PolarHBondContact O-N 3.06Å; T231-L234 PolarHBondContact O-N 2.98Å; T231-L234 WeakPolarHBondContact OG1-CG 3.46Å; T231-L234 PolarHBondContact OG1-N 3.23Å
232L61.3Low76.3Confident134 Ų13468.3 Ų68.370%0.70239%0.387SS*.Hα-helixtrans-52.6-29175.1-74.1167.4000112.2L235 Q236L232-L235 PolarHBondContact O-N 3.1Å; L232-Q236 WeakPolarHBondContact O-CG 3.22Å; L232-Q236 PolarHBondContact O-N 2.92Å; L232-Q236 VanDerWaalsContact O-N 3.11Å
233R67.3Low76.4Confident210 Ų21072 Ų7279%0.79241%0.413SS*.Hα-helixtrans-65.9-40.1175.7-69.2-174.9-180178.70.2113.4T231 L235 Q236T231-R233 PolarHBondContact O-N 3.06Å; R233-L235 PolarHBondContact O-N 3.11Å; R233-Q236 PolarHBondContact O-N 2.75Å
234L72.3Confident76.5Confident63 Ų6371.8 Ų71.833%0.3341%0.411SS..Hα-helixtrans-64.3-25.3177.4-73.6169.3000112.5A220 A224 T231 L238A220-L234 HydrophobicContact CB-CD2 4.17Å; A224-L234 HydrophobicContact CB-CD1 4.01Å; T231-L234 PolarHBondContact O-N 2.98Å; T231-L234 WeakPolarHBondContact OG1-CG 3.46Å; T231-L234 PolarHBondContact OG1-N 3.23Å; L234-L238 WeakPolarHBondContact O-CD1 3.49Å; L234-L238 WeakPolarHBondContact O-CG 2.91Å
235L72.3Confident76.9Confident60 Ų6072.3 Ų72.331%0.31441%0.413SS..Hα-helixtrans-90.6-21.7178.4-58.4177.6000112.4L232 R233 G237 L238 L264L232-L235 PolarHBondContact O-N 3.1Å; R233-L235 PolarHBondContact O-N 3.11Å; L235-G237 PolarHBondContact O-N 2.92Å; L235-L238 HydrophobicContact CD2-CD1 3.99Å; L235-L264 HydrophobicContact CD2-CD1 3.96Å; L235-L264 HydrophobicContact CD2-CD2 4.42Å
236Q68.1Low77.6Confident143 Ų14370.8 Ų70.867%0.66841%0.409SS*.THydrogen-bonded Turntrans-83.899.1178.5-76.5172.36.600109.8L232 R233L232-Q236 WeakPolarHBondContact O-CG 3.22Å; L232-Q236 PolarHBondContact O-N 2.92Å; L232-Q236 VanDerWaalsContact O-N 3.11Å; R233-Q236 PolarHBondContact O-N 2.75Å
237G76.6Confident78.7Confident79 Ų7970.8 Ų70.881%0.81441%0.41SS*.THydrogen-bonded Turntrans124.7-5.3178.900000114.2L235L235-G237 PolarHBondContact O-N 2.92Å
238L85.6Confident79.7Confident35 Ų3572.9 Ų72.918%0.18342%0.416CS..  trans-68.7142.1172.3-62.8171.8000110.5V218 A221 L234 L235 M260 L264V218-L238 HydrophobicContact CG2-CD2 4.36Å; A221-L238 HydrophobicContact CB-CD1 3.43Å; A221-L238 VanDerWaalsContact CB-CD1 3.43Å; A221-L238 HydrophobicContact CB-CD2 3.93Å; A221-L238 HydrophobicContact CB-CG 4.26Å; L234-L238 WeakPolarHBondContact O-CD1 3.49Å; L234-L238 WeakPolarHBondContact O-CG 2.91Å; L235-L238 HydrophobicContact CD2-CD1 3.99Å; L238-M260 HydrophobicContact CD1-CE 4.06Å; L238-L264 HydrophobicContact CD1-CD1 4.44Å
239P89.7Confident80.1Confident57 Ų5778.2 Ų78.237%0.3743%0.432SS..  trans-62.4153.5171.629.5-35.5000109.9S241 M260P239-S241 WeakPolarHBondContact CB-O 3.47Å; P239-S241 PolarHBondContact O-N 2.96Å; P239-M260 WeakPolarHBondContact O-CG 3.43Å
240P88.8Confident80.3Confident115 Ų11580.8 Ų80.875%0.74744%0.442SS*.SBendtrans-65.9-26.317826.7-34.5000112.6M260P240-M260 PolarHBondContact O-N 2.85Å
241S92.6Very high80.5Confident43 Ų4386.7 Ų86.730%0.30146%0.461SS..EExtended strand (participates in β ladder)trans-150.5160.9179.753.90000111.4P239 I257 L258P239-S241 WeakPolarHBondContact CB-O 3.47Å; P239-S241 PolarHBondContact O-N 2.96Å; S241-I257 VanDerWaalsContact CB-CG2 3.44Å; S241-I257 VanDerWaalsContact OG-CG2 3.32Å; S241-I257 WeakPolarHBondContact OG-CG2 3.33Å; S241-L258 CarbonylContact C-O 3.5Å; S241-L258 WeakPolarHBondContact CA-O 3.19Å; S241-L258 WeakPolarHBondContact CB-O 2.97Å
242L94.1Very high81.4Confident22 Ų2289.6 Ų89.612%0.11547%0.47CS..EExtended strand (participates in β ladder)trans-120.4148.6176.8-173.7136000110M212 L214 V218 L258 L263M212-L242 HydrophobicContact CB-CD2 3.97Å; M212-L242 HydrophobicContact CG-CD2 4.42Å; M212-L242 HydrophobicContact SD-CD2 3.83Å; L214-L242 HydrophobicContact CD2-CD1 4.01Å; V218-L242 HydrophobicContact CG1-CD1 4.14Å; V218-L242 HydrophobicContact CG2-CD1 4.32Å; L242-L258 PolarHBondContact N-O 3.49Å; L242-L258 PolarHBondContact O-N 3.33Å; L242-L263 HydrophobicContact CB-CD1 4.48Å
243S93.9Very high82.6Confident78 Ų7887.4 Ų87.455%0.54546%0.462SS..EExtended strand (participates in β ladder)trans-87.6116.3175.3-1680000110.1
244A95.6Very high83.7Confident1 Ų180.1 Ų80.11%0.00844%0.437CS..EExtended strand (participates in β ladder)trans-106.2174.2165.200000110.2W122 F211 M212 L256 L258W122-A244 HydrophobicContact CH2-CB 4.01Å; F211-A244 WeakPolarHBondContact O-CB 3.28Å; M212-A244 HydrophobicContact CB-CB 3.8Å; M212-A244 HydrophobicContact CE-CB 4.49Å; A244-L256 HydrophobicContact CB-CB 4.37Å; A244-L256 PolarHBondContact N-O 2.79Å; A244-L256 PolarHBondContact O-N 2.97Å; A244-L258 HydrophobicContact CB-CD1 3.17Å
245T95.9Very high84.7Confident22 Ų2282.1 Ų82.114%0.13545%0.454CS..EExtended strand (participates in β ladder)trans-115120.8173-570000108.5A210 F211 T253A210-T245 CarbonylContact C-O 3.56Å; A210-T245 WeakPolarHBondContact CA-O 3.1Å; A210-T245 WeakPolarHBondContact CB-O 3.47Å; F211-T245 HydrophobicContact CD1-CG2 4.37Å; F211-T245 HydrophobicContact CE1-CG2 3.51Å; F211-T245 HydrophobicContact CE2-CG2 4.36Å; F211-T245 HydrophobicContact CZ-CG2 3.52Å; F211-T245 PolarHBondContact N-O 3.07Å; F211-T245 PolarHBondContact O-N 3.28Å; T245-T253 VanDerWaalsContact CG2-CB 3.49Å; T245-T253 HydrophobicContact CG2-CG2 3.83Å
246E94.4Very high85.8Confident46 Ų4681 Ų8122%0.21545%0.448CS..EExtended strand (participates in β ladder)trans-105.3143.2177.7-178.1177.4-112.100110.5R110 A210 T253 Q254 L256R110-E246 IonicContact CZ-OE1 3.26Å; R110-E246 IonicContact NH2-OE1 3.72Å; R110-E246 PolarHBondContact NH2-OE1 2.64Å; A210-E246 HydrophobicContact CB-CB 4.25Å; A210-E246 HydrophobicContact CB-CG 4.46Å; E246-T253 CarbonylContact O-C 3.59Å; E246-T253 WeakPolarHBondContact O-CA 3.43Å; E246-Q254 HydrophobicContact CB-CG 4.41Å; E246-Q254 PolarHBondContact N-O 2.83Å; E246-Q254 PolarHBondContact O-N 2.71Å; E246-Q254 PolarHBondContact OE2-NE2 2.88Å; E246-Q254 VanDerWaalsContact OE2-NE2 3.17Å; E246-L256 HydrophobicContact CB-CB 3.84Å; E246-L256 HydrophobicContact CB-CD2 4.06Å; E246-L256 HydrophobicContact CB-CG 4.48Å
247L91.1Very high87Confident31 Ų3179.2 Ų79.216%0.16244%0.442CS..EExtended strand (participates in β ladder)trans-89.3129.6175.7-159.776000110.4V203 P205 N209 T253V203-L247 HydrophobicContact CG2-CB 4.35Å; V203-L247 HydrophobicContact CG2-CD1 3.62Å; V203-L247 HydrophobicContact CG2-CD2 3.85Å; V203-L247 HydrophobicContact CG2-CG 4.15Å; P205-L247 HydrophobicContact CB-CD2 3.62Å; P205-L247 HydrophobicContact CG-CD2 4.42Å; N209-L247 PolarHBondContact O-N 3.42Å; L247-T253 HydrophobicContact CD1-CG2 3.92Å
248K82.5Confident87.9Confident103 Ų10375.7 Ų75.745%0.44840%0.404SS..  trans-89.8164.9169.7-81.1177.1147161.30111.5D250 R251 E252 Q254K248-D250 PolarHBondContact O-N 2.9Å; K248-R251 PolarHBondContact O-N 2.87Å; K248-E252 PolarHBondContact N-O 3.39Å; K248-Q254 HydrophobicContact CD-CG 4.26Å; K248-Q254 HydrophobicContact CG-CG 4.27Å
249D71.7Confident88.3Confident168 Ų16876.9 Ų76.990%0.89841%0.414SS*.THydrogen-bonded Turntrans-53.2-30.8-178-64.6-35.9000113.5R251D249-R251 VanDerWaalsContact C-N 3.28Å; D249-R251 PolarHBondContact O-N 3.33Å
250D64.5Low88.5Confident139 Ų13974.7 Ų74.774%0.74340%0.399SS*.THydrogen-bonded Turntrans-86.414179.8-63.8-32000114.3K248 E252K248-D250 PolarHBondContact O-N 2.9Å; D250-E252 PolarHBondContact O-N 2.92Å; D250-E252 VanDerWaalsContact O-N 3.16Å
251R69.1Low88.6Confident198 Ų19873 Ų7375%0.74739%0.39SS*.SBendtrans62.69.1-172.8-51.3-177.3179.5-168-0.7114.9K248 D249K248-R251 PolarHBondContact O-N 2.87Å; D249-R251 VanDerWaalsContact C-N 3.28Å; D249-R251 PolarHBondContact O-N 3.33Å
252E81.1Confident88.7Confident135 Ų13571.6 Ų71.663%0.63138%0.38SS*.  trans-74.7143.1168.4-66.2-166.2159.600110.5K248 D250K248-E252 PolarHBondContact N-O 3.39Å; D250-E252 PolarHBondContact O-N 2.92Å; D250-E252 VanDerWaalsContact O-N 3.16Å
253T87.6Confident88.6Confident88 Ų8870.6 Ų70.654%0.5437%0.374SS..EExtended strand (participates in β ladder)trans-98.8138.4175.555.10000110.8T245 E246 L247T245-T253 VanDerWaalsContact CG2-CB 3.49Å; T245-T253 HydrophobicContact CG2-CG2 3.83Å; E246-T253 CarbonylContact O-C 3.59Å; E246-T253 WeakPolarHBondContact O-CA 3.43Å; L247-T253 HydrophobicContact CD1-CG2 3.92Å
254Q90.9Very high88.5Confident57 Ų5767.9 Ų67.927%0.26635%0.354SS..EExtended strand (participates in β ladder)trans-128.4152.6173.464.7176.1-2.400111.7E246 K248 L256E246-Q254 HydrophobicContact CB-CG 4.41Å; E246-Q254 PolarHBondContact N-O 2.83Å; E246-Q254 PolarHBondContact O-N 2.71Å; E246-Q254 PolarHBondContact OE2-NE2 2.88Å; E246-Q254 VanDerWaalsContact OE2-NE2 3.17Å; K248-Q254 HydrophobicContact CD-CG 4.26Å; K248-Q254 HydrophobicContact CG-CG 4.27Å; Q254-L256 PolarHBondContact O-N 2.68Å
255P93.4Very high88.3Confident105 Ų10571.8 Ų71.868%0.68237%0.368SS*.EExtended strand (participates in β ladder)trans-61.4133.3169.7-20.932.9000111.3
256L93.9Very high88Confident36 Ų3674 Ų7419%0.18838%0.382CS..EExtended strand (participates in β ladder)trans-118.2120.8172.8172.964.8000108.7A244 E246 Q254 L258A244-L256 HydrophobicContact CB-CB 4.37Å; A244-L256 PolarHBondContact N-O 2.79Å; A244-L256 PolarHBondContact O-N 2.97Å; E246-L256 HydrophobicContact CB-CB 3.84Å; E246-L256 HydrophobicContact CB-CD2 4.06Å; E246-L256 HydrophobicContact CB-CG 4.48Å; Q254-L256 PolarHBondContact O-N 2.68Å; L256-L258 HydrophobicContact CD2-CD1 3.62Å; L256-L258 HydrophobicContact CD2-CG 4.26Å; L256-L258 HydrophobicContact CG-CD1 3.77Å; L256-L258 HydrophobicContact CG-CG 4.35Å; L256-L258 PolarHBondContact O-N 3.45Å
257I94.7Very high87.6Confident106 Ų10672.3 Ų72.354%0.54438%0.375SS..EExtended strand (participates in β ladder)trans-86.8106.2176-55.5-57.6000108.8S241S241-I257 VanDerWaalsContact CB-CG2 3.44Å; S241-I257 VanDerWaalsContact OG-CG2 3.32Å; S241-I257 WeakPolarHBondContact OG-CG2 3.33Å
258L94.6Very high87.3Confident4 Ų471.6 Ų71.62%0.02137%0.372CS..EExtended strand (participates in β ladder)trans-91.4122.7176.6-87.7109.5000111.6W122 M212 S241 L242 A244 L256 T262 L263 E275W122-L258 HydrophobicContact CH2-CD1 4.23Å; W122-L258 HydrophobicContact CZ2-CD1 3.77Å; W122-L258 HydrophobicContact CZ2-CD2 3.72Å; W122-L258 HydrophobicContact CZ2-CG 4.39Å; M212-L258 HydrophobicContact CE-CD1 4.04Å; M212-L258 HydrophobicContact CE-CD2 4.01Å; S241-L258 CarbonylContact C-O 3.5Å; S241-L258 WeakPolarHBondContact CA-O 3.19Å; S241-L258 WeakPolarHBondContact CB-O 2.97Å; L242-L258 PolarHBondContact N-O 3.49Å; L242-L258 PolarHBondContact O-N 3.33Å; A244-L258 HydrophobicContact CB-CD1 3.17Å; L256-L258 HydrophobicContact CD2-CD1 3.62Å; L256-L258 HydrophobicContact CD2-CG 4.26Å; L256-L258 HydrophobicContact CG-CD1 3.77Å; L256-L258 HydrophobicContact CG-CG 4.35Å; L256-L258 PolarHBondContact O-N 3.45Å; L258-T262 HydrophobicContact CD2-CG2 4.04Å; L258-L263 HydrophobicContact CD2-CD2 4.42Å; L258-E275 WeakPolarHBondContact CD2-OE1 3.44Å
259P94.6Very high87.3Confident60 Ų6071.3 Ų71.339%0.3938%0.379SS..EExtended strand (participates in β ladder)trans-60.9139.6169.9-21.733.4000111.4S261 T262P259-S261 PolarHBondContact O-N 3.2Å; P259-S261 VanDerWaalsContact O-N 3.12Å; P259-T262 WeakPolarHBondContact O-CB 3.23Å; P259-T262 PolarHBondContact O-N 2.9Å
260M93Very high87.7Confident12 Ų1266.7 Ų66.76%0.05936%0.357CS..Hα-helixtrans-58.7-27.7175-83.5-51.9-63.800113V218 L238 P239 P240 T262 L263 L264V218-M260 HydrophobicContact CG1-CE 3.77Å; V218-M260 HydrophobicContact CG1-SD 4.01Å; L238-M260 HydrophobicContact CD1-CE 4.06Å; P239-M260 WeakPolarHBondContact O-CG 3.43Å; P240-M260 PolarHBondContact O-N 2.85Å; M260-T262 PolarHBondContact O-N 2.96Å; M260-L263 HydrophobicContact CE-CB 4.4Å; M260-L263 HydrophobicContact CE-CD1 4.37Å; M260-L263 PolarHBondContact O-N 3.26Å; M260-L263 VanDerWaalsContact O-N 3.12Å; M260-L263 HydrophobicContact SD-CD1 3.83Å; M260-L264 HydrophobicContact CB-CD1 4.46Å; M260-L264 HydrophobicContact CE-CD1 4.38Å; M260-L264 HydrophobicContact CE-CD2 4.32Å; M260-L264 HydrophobicContact CE-CG 4.15Å; M260-L264 WeakPolarHBondContact O-CB 3.5Å; M260-L264 VanDerWaalsContact O-CG 3.25Å; M260-L264 WeakPolarHBondContact O-CG 3.4Å; M260-L264 PolarHBondContact O-N 3.46Å
261S91.9Very high88.4Confident80 Ų8063.5 Ų63.556%0.55935%0.35SS*.Hα-helixtrans-61.4-24.7174.759.80000113.6P259 R265P259-S261 PolarHBondContact O-N 3.2Å; P259-S261 VanDerWaalsContact O-N 3.12Å; S261-R265 PolarHBondContact O-N 2.83Å
262T93.4Very high88.8Confident13 Ų1357.4 Ų57.48%0.0833%0.33CS..Hα-helixtrans-72.1-45.3172.8-59.40000110.8L258 P259 M260 R265 E275L258-T262 HydrophobicContact CD2-CG2 4.04Å; P259-T262 WeakPolarHBondContact O-CB 3.23Å; P259-T262 PolarHBondContact O-N 2.9Å; M260-T262 PolarHBondContact O-N 2.96Å; T262-R265 VanDerWaalsContact O-CB 3.29Å; T262-R265 WeakPolarHBondContact O-CB 3.39Å; T262-R265 PolarHBondContact O-N 2.98Å; T262-E275 HydrophobicContact CG2-CB 3.94Å; T262-E275 HydrophobicContact CG2-CG 3.55Å
263L93.1Very high88.6Confident0 Ų056 Ų560%033%0.326CS..Hα-helixtrans-69.2-34.5179.8-60.1-175.9000112.7M212 L214 V218 V222 L242 L258 M260 R265 V277M212-L263 HydrophobicContact CE-CD2 3.62Å; M212-L263 HydrophobicContact SD-CD1 4.2Å; M212-L263 HydrophobicContact SD-CD2 3.93Å; L214-L263 HydrophobicContact CD2-CD1 4.22Å; V218-L263 HydrophobicContact CG1-CD1 4.24Å; V222-L263 HydrophobicContact CG2-CB 3.77Å; L242-L263 HydrophobicContact CB-CD1 4.48Å; L258-L263 HydrophobicContact CD2-CD2 4.42Å; M260-L263 HydrophobicContact CE-CB 4.4Å; M260-L263 HydrophobicContact CE-CD1 4.37Å; M260-L263 PolarHBondContact O-N 3.26Å; M260-L263 VanDerWaalsContact O-N 3.12Å; M260-L263 HydrophobicContact SD-CD1 3.83Å; L263-R265 VanDerWaalsContact C-N 3.26Å; L263-R265 PolarHBondContact O-N 3.18Å; L263-V277 HydrophobicContact CB-CG2 4.41Å; L263-V277 HydrophobicContact CD2-CG2 3.84Å
264L92.1Very high88.6Confident21 Ų2156.3 Ų56.311%0.1132%0.321CS..THydrogen-bonded Turntrans-843.5-179.9-61.9175.4000113.8A221 V222 R225 L235 L238 M260A221-L264 HydrophobicContact CB-CD2 3.97Å; V222-L264 HydrophobicContact CG2-CD2 4.37Å; R225-L264 HydrophobicContact CG-CB 4.2Å; R225-L264 HydrophobicContact CG-CD2 3.8Å; R225-L264 PolarHBondContact NE-O 3Å; L235-L264 HydrophobicContact CD2-CD1 3.96Å; L235-L264 HydrophobicContact CD2-CD2 4.42Å; L238-L264 HydrophobicContact CD1-CD1 4.44Å; M260-L264 HydrophobicContact CB-CD1 4.46Å; M260-L264 HydrophobicContact CE-CD1 4.38Å; M260-L264 HydrophobicContact CE-CD2 4.32Å; M260-L264 HydrophobicContact CE-CG 4.15Å; M260-L264 WeakPolarHBondContact O-CB 3.5Å; M260-L264 VanDerWaalsContact O-CG 3.25Å; M260-L264 WeakPolarHBondContact O-CG 3.4Å; M260-L264 PolarHBondContact O-N 3.46Å
265R91.5Very high88.8Confident83 Ų8355.8 Ų55.831%0.31332%0.318SS..PPolyproline II helixtrans-71.1136.3178.7-168.6174.2-63.5-172.40.2110.5S261 T262 L263 E275 H276 K282S261-R265 PolarHBondContact O-N 2.83Å; T262-R265 VanDerWaalsContact O-CB 3.29Å; T262-R265 WeakPolarHBondContact O-CB 3.39Å; T262-R265 PolarHBondContact O-N 2.98Å; L263-R265 VanDerWaalsContact C-N 3.26Å; L263-R265 PolarHBondContact O-N 3.18Å; R265-E275 WeakPolarHBondContact CD-O 3.47Å; R265-H276 HydrophobicContact CB-CB 3.98Å; R265-H276 HydrophobicContact CG-CB 4.21Å; R265-K282 PolarHBondContact O-NZ 3.19Å
266T89.6Confident88.8Confident70 Ų7051.2 Ų51.243%0.42929%0.288SS..PPolyproline II helixtrans-84160.7171.153.10000110.6P268T266-P268 WeakPolarHBondContact O-CD 3.39Å
267T85.4Confident88.9Confident10 Ų1049.5 Ų49.56%0.06128%0.279CS..PPolyproline II helixtrans-61.1125.8177.9-64.90000110.5F68 P170 R171 W174 H276 T279F68-T267 HydrophobicContact CZ-CG2 4.17Å; P170-T267 HydrophobicContact CG-CG2 4.45Å; R171-T267 PolarHBondContact NH2-O 3.31Å; W174-T267 HydrophobicContact CZ2-CG2 4.45Å; T267-H276 PolarHBondContact OG1-NE2 2.92Å; T267-T279 PolarHBondContact OG1-OG1 3.32Å
268P84.9Confident89Confident16 Ų1646.1 Ų46.110%0.10426%0.262CS..PPolyproline II helixtrans-58.3149.4-175.8-23.232.2000113.3W174 T266 T270 K274W174-P268 HydrophobicContact CZ2-CB 4.07Å; W174-P268 VanDerWaalsContact CZ2-O 3.3Å; W174-P268 WeakPolarHBondContact CZ2-O 3.41Å; W174-P268 PolarHBondContact NE1-O 2.85Å; T266-P268 WeakPolarHBondContact O-CD 3.39Å; P268-T270 WeakPolarHBondContact CB-O 3.24Å; P268-K274 HydrophobicContact CG-CB 4.19Å
269T82.7Confident89Confident97 Ų9746.4 Ų46.460%0.59526%0.264SS*.SBendtrans-76.7-29.317748.70000112.5S173 W174S173-T269 PolarHBondContact OG-O 3.35Å; W174-T269 VanDerWaalsContact CD1-O 3.32Å; W174-T269 PolarHBondContact NE1-O 3.2Å; W174-T269 VanDerWaalsContact NE1-O 3.1Å
270T79.3Confident89.1Confident70 Ų7043.6 Ų43.643%0.42925%0.245SC..SBendtrans-101.9152175.444.50000110.8W174 P268 E272W174-T270 VanDerWaalsContact CE2-C 3.49Å; W174-T270 WeakPolarHBondContact CZ2-O 3.27Å; W174-T270 PolarHBondContact NE1-O 2.75Å; P268-T270 WeakPolarHBondContact CB-O 3.24Å; T270-E272 VanDerWaalsContact C-N 3.31Å; T270-E272 PolarHBondContact O-N 2.8Å; T270-E272 VanDerWaalsContact OG1-CD 3.31Å; T270-E272 PolarHBondContact OG1-OE1 3.35Å
271A78.7Confident89.3Confident72 Ų7243 Ų4360%0.59524%0.243SC*.  trans-67.390.9174.900000109.9W174W174-A271 HydrophobicContact CB-CB 4.37Å; W174-A271 HydrophobicContact CD2-CB 3.92Å; W174-A271 HydrophobicContact CE3-CB 4.07Å; W174-A271 HydrophobicContact CG-CB 4.04Å
272E77.6Confident89.5Confident70 Ų7039.4 Ų39.433%0.32722%0.217SC..  trans-130.1130.5177.4-69.6175.4-156.700108.6T270 K274T270-E272 VanDerWaalsContact C-N 3.31Å; T270-E272 PolarHBondContact O-N 2.8Å; T270-E272 VanDerWaalsContact OG1-CD 3.31Å; T270-E272 PolarHBondContact OG1-OE1 3.35Å; E272-K274 HydrophobicContact CB-CD 4.36Å; E272-K274 HydrophobicContact CB-CG 4.26Å; E272-K274 PolarHBondContact O-N 2.84Å; E272-K274 WeakPolarHBondContact OE2-CD 3.35Å; E272-K274 WeakPolarHBondContact OE2-CE 3.04Å; E272-K274 IonicContact OE2-NZ 2.82Å; E272-K274 PolarHBondContact OE2-NZ 3.21Å
273D77.1Confident89.7Confident105 Ų10539.2 Ų39.256%0.56122%0.215SC*.  trans-79.646.7179-61-32.9000111.5P119 N120P119-D273 HydrophobicContact CG-CB 4.09Å; P119-D273 WeakPolarHBondContact CG-OD1 3.2Å; N120-D273 PolarHBondContact ND2-O 3.12Å
274K88.1Confident90Very high96 Ų9639.2 Ų39.242%0.41722%0.215SC..  trans-77.7128.4179.3-90.5179.4177.7161.90109.6P268 E272 H276P268-K274 HydrophobicContact CG-CB 4.19Å; E272-K274 HydrophobicContact CB-CD 4.36Å; E272-K274 HydrophobicContact CB-CG 4.26Å; E272-K274 PolarHBondContact O-N 2.84Å; E272-K274 WeakPolarHBondContact OE2-CD 3.35Å; E272-K274 WeakPolarHBondContact OE2-CE 3.04Å; E272-K274 IonicContact OE2-NZ 2.82Å; E272-K274 PolarHBondContact OE2-NZ 3.21Å; K274-H276 PolarHBondContact O-N 3.3Å; K274-H276 PolarHBondContact O-ND1 3.48Å
275E94.6Very high90.2Very high45 Ų4538.2 Ų38.221%0.2121%0.209CC..  trans-57.7127.3174.5-171.8176.3-165.700111.5R110 N120 W122 L258 T262 R265R110-E275 WeakPolarHBondContact CD-OE1 3.3Å; R110-E275 IonicContact CZ-OE1 2.76Å; R110-E275 IonicContact NE-OE1 3.4Å; R110-E275 IonicContact NH1-OE1 3.35Å; R110-E275 PolarHBondContact NH1-OE1 3.39Å; R110-E275 IonicContact NH1-OE2 3.84Å; N120-E275 HydrophobicContact CB-CB 4.36Å; N120-E275 VanDerWaalsContact O-CA 3.28Å; N120-E275 WeakPolarHBondContact O-CA 3.45Å; N120-E275 WeakPolarHBondContact O-CG 3.33Å; W122-E275 PolarHBondContact NE1-OE1 2.84Å; L258-E275 WeakPolarHBondContact CD2-OE1 3.44Å; T262-E275 HydrophobicContact CG2-CB 3.94Å; T262-E275 HydrophobicContact CG2-CG 3.55Å; R265-E275 WeakPolarHBondContact CD-O 3.47Å
276H94.5Very high90.5Very high10 Ų1037.1 Ų37.15%0.04621%0.207CC..EExtended strand (participates in β ladder)trans-162.6165.9178.766.7-72.9000110.6V121 W122 R265 T267 K274V121-H276 WeakPolarHBondContact CA-O 3.36Å; W122-H276 PolarHBondContact N-O 2.84Å; R265-H276 HydrophobicContact CB-CB 3.98Å; R265-H276 HydrophobicContact CG-CB 4.21Å; T267-H276 PolarHBondContact OG1-NE2 2.92Å; K274-H276 PolarHBondContact O-N 3.3Å; K274-H276 PolarHBondContact O-ND1 3.48Å
277V96.1Very high90.9Very high0 Ų034.3 Ų34.30%019%0.19CC..EExtended strand (participates in β ladder)trans-81.9130.6170.4-177.20000109.9L108 W122 V222 L263 A281 K282L108-V277 HydrophobicContact CD1-CG1 4.38Å; W122-V277 HydrophobicContact CB-CB 4.49Å; W122-V277 HydrophobicContact CB-CG2 4.09Å; V222-V277 HydrophobicContact CG1-CB 4.03Å; V222-V277 HydrophobicContact CG1-CG1 3.92Å; V222-V277 HydrophobicContact CG1-CG2 3.95Å; L263-V277 HydrophobicContact CB-CG2 4.41Å; L263-V277 HydrophobicContact CD2-CG2 3.84Å; V277-A281 HydrophobicContact CG1-CB 3.94Å; V277-K282 HydrophobicContact CB-CG 4.41Å; V277-K282 HydrophobicContact CG1-CG 3.96Å; V277-K282 WeakPolarHBondContact O-CE 3.08Å
278N95.3Very high91.5Very high35 Ų3533.9 Ų33.919%0.18719%0.187CC..  trans-58.2142.2179.3-173.2-89.2000111.8V121 W122 V123 G280 A281 K282V121-N278 HydrophobicContact CG1-CB 3.52Å; W122-N278 WeakPolarHBondContact O-CB 3.39Å; W122-N278 PolarHBondContact O-N 3.18Å; V123-N278 HydrophobicContact CG1-CB 3.59Å; N278-G280 VanDerWaalsContact C-N 3.33Å; N278-G280 PolarHBondContact O-N 3.4Å; N278-G280 WeakPolarHBondContact OD1-CA 3.34Å; N278-G280 PolarHBondContact OD1-N 3.44Å; N278-A281 HydrophobicContact CB-CB 3.99Å; N278-A281 WeakPolarHBondContact O-CA 3.39Å; N278-A281 WeakPolarHBondContact O-CB 3.37Å; N278-A281 PolarHBondContact O-N 3.02Å; N278-K282 PolarHBondContact O-N 3.1Å
279T95.2Very high92.1Very high10 Ų1033.7 Ų33.76%0.06119%0.185CC..Hα-helixtrans-59.6-38.6178.7-47.70000113.8P66 F68 W164 E226 T267 K282 F283P66-T279 HydrophobicContact CB-CG2 4.35Å; F68-T279 HydrophobicContact CZ-CG2 4.39Å; W164-T279 HydrophobicContact CH2-CG2 3.65Å; W164-T279 HydrophobicContact CZ2-CG2 3.63Å; E226-T279 HydrophobicContact CB-CG2 4.36Å; E226-T279 HydrophobicContact CG-CG2 3.56Å; T267-T279 PolarHBondContact OG1-OG1 3.32Å; T279-K282 WeakPolarHBondContact O-CB 3.16Å; T279-K282 PolarHBondContact O-N 2.83Å; T279-F283 PolarHBondContact O-N 2.86Å; T279-F283 VanDerWaalsContact O-N 3.08Å
280G96.9Very high92.7Very high0 Ų033.6 Ų33.60%018%0.178CC..Hα-helixtrans-66.5-36.1173.300000112.5F185 N278 F283 A284F185-G280 WeakPolarHBondContact CE2-O 3.34Å; F185-G280 VanDerWaalsContact CZ-O 3.25Å; F185-G280 WeakPolarHBondContact CZ-O 3.39Å; N278-G280 VanDerWaalsContact C-N 3.33Å; N278-G280 PolarHBondContact O-N 3.4Å; N278-G280 WeakPolarHBondContact OD1-CA 3.34Å; N278-G280 PolarHBondContact OD1-N 3.44Å; G280-F283 WeakPolarHBondContact O-CB 3.5Å; G280-F283 PolarHBondContact O-N 3.2Å; G280-A284 PolarHBondContact O-N 3.01Å
281A97.6Very high93.6Very high1 Ų134.5 Ų34.51%0.00818%0.177CC..Hα-helixtrans-63.4-41.6172.800000111.4V277 N278 F283 A284 L285V277-A281 HydrophobicContact CG1-CB 3.94Å; N278-A281 HydrophobicContact CB-CB 3.99Å; N278-A281 WeakPolarHBondContact O-CA 3.39Å; N278-A281 WeakPolarHBondContact O-CB 3.37Å; N278-A281 PolarHBondContact O-N 3.02Å; A281-F283 VanDerWaalsContact C-N 3.33Å; A281-F283 PolarHBondContact O-N 2.76Å; A281-A284 PolarHBondContact O-N 2.83Å; A281-L285 VanDerWaalsContact O-CG 3.3Å; A281-L285 WeakPolarHBondContact O-CG 3.29Å; A281-L285 PolarHBondContact O-N 2.72Å
282K96.9Very high94.3Very high3 Ų333.2 Ų33.21%0.01316%0.159CC..Hα-helixtrans-59.6-42.3173.6-65.3178.5-176179.80112.2V222 E226 R265 V277 N278 T279 L285 K286V222-K282 HydrophobicContact CG1-CG 4.03Å; V222-K282 WeakPolarHBondContact O-CD 3.37Å; E226-K282 HydrophobicContact CB-CD 3.89Å; E226-K282 IonicContact OE2-NZ 2.68Å; E226-K282 PolarHBondContact OE2-NZ 3.2Å; R265-K282 PolarHBondContact O-NZ 3.19Å; V277-K282 HydrophobicContact CB-CG 4.41Å; V277-K282 HydrophobicContact CG1-CG 3.96Å; V277-K282 WeakPolarHBondContact O-CE 3.08Å; N278-K282 PolarHBondContact O-N 3.1Å; T279-K282 WeakPolarHBondContact O-CB 3.16Å; T279-K282 PolarHBondContact O-N 2.83Å; K282-L285 PolarHBondContact O-N 3.35Å; K282-K286 PolarHBondContact O-N 3.45Å
283F97Very high94.9Very high9 Ų933.2 Ų33.24%0.03918%0.179CC..Hα-helixtrans-60.5-46.5172.8168.3-108000111.9P35 P62 Q64 L163 W164 F185 T279 G280 A281 L285 K286 L287P35-F283 HydrophobicContact CB-CE2 4.29Å; P62-F283 HydrophobicContact CB-CZ 4.43Å; Q64-F283 HydrophobicContact CB-CD2 3.93Å; Q64-F283 HydrophobicContact CB-CE2 3.58Å; Q64-F283 HydrophobicContact CB-CZ 3.88Å; Q64-F283 HydrophobicContact CG-CD2 4.41Å; Q64-F283 HydrophobicContact CG-CE2 4.4Å; Q64-F283 VanDerWaalsContact OE1-CE2 3.27Å; L163-F283 WeakPolarHBondContact O-CE1 3.43Å; W164-F283 HydrophobicContact CB-CD1 4.17Å; W164-F283 HydrophobicContact CB-CE1 4.35Å; W164-F283 HydrophobicContact CD2-CD1 4.34Å; W164-F283 HydrophobicContact CE3-CB 3.69Å; W164-F283 AromaticContact CE3-CD1 3.62Å; W164-F283 HydrophobicContact CE3-CD1 3.62Å; W164-F283 HydrophobicContact CE3-CD2 4.27Å; W164-F283 HydrophobicContact CE3-CE1 4.26Å; W164-F283 AromaticContact CE3-CG 3.6Å; W164-F283 HydrophobicContact CE3-CG 3.6Å; W164-F283 HydrophobicContact CZ3-CB 3.73Å; W164-F283 HydrophobicContact CZ3-CD1 4.4Å; W164-F283 HydrophobicContact CZ3-CD2 4.34Å; W164-F283 AromaticContact CZ3-CG 3.92Å; W164-F283 HydrophobicContact CZ3-CG 3.92Å; F185-F283 HydrophobicContact CD2-CD1 4.03Å; F185-F283 HydrophobicContact CD2-CE1 4.25Å; F185-F283 AromaticContact CE2-CD1 3.93Å; F185-F283 HydrophobicContact CE2-CD1 3.93Å; F185-F283 HydrophobicContact CE2-CE1 4.48Å; T279-F283 PolarHBondContact O-N 2.86Å; T279-F283 VanDerWaalsContact O-N 3.08Å; G280-F283 WeakPolarHBondContact O-CB 3.5Å; G280-F283 PolarHBondContact O-N 3.2Å; A281-F283 VanDerWaalsContact C-N 3.33Å; A281-F283 PolarHBondContact O-N 2.76Å; F283-L285 PolarHBondContact O-N 3.08Å; F283-K286 WeakPolarHBondContact O-CB 3.3Å; F283-K286 PolarHBondContact O-N 2.96Å; F283-L287 HydrophobicContact CD1-CD1 4.15Å; F283-L287 HydrophobicContact CE1-CD1 3.56Å; F283-L287 HydrophobicContact CE1-CG 4.48Å; F283-L287 HydrophobicContact CE2-CD1 3.97Å; F283-L287 HydrophobicContact CE2-CD2 4.25Å; F283-L287 HydrophobicContact CE2-CG 4.15Å; F283-L287 HydrophobicContact CZ-CD1 3.48Å; F283-L287 VanDerWaalsContact CZ-CD1 3.48Å; F283-L287 HydrophobicContact CZ-CD2 4.42Å; F283-L287 HydrophobicContact CZ-CG 4.17Å; F283-L287 WeakPolarHBondContact O-CG 3.43Å; F283-L287 PolarHBondContact O-N 3.35Å; F283-L287 VanDerWaalsContact O-N 3.1Å
284A98.3Very high94.9Very high0 Ų037.1 Ų37.10%019%0.185CC..Hα-helixtrans-62.4-41.4177.700000112.7I98 F185 G280 A281 K286 L287 W288I98-A284 HydrophobicContact CD1-CB 3.7Å; I98-A284 HydrophobicContact CG1-CB 3.96Å; F185-A284 HydrophobicContact CB-CB 4.18Å; F185-A284 HydrophobicContact CD1-CB 3.53Å; F185-A284 HydrophobicContact CD2-CB 3.78Å; F185-A284 HydrophobicContact CE1-CB 3.77Å; F185-A284 HydrophobicContact CE2-CB 3.97Å; F185-A284 HydrophobicContact CG-CB 3.55Å; F185-A284 HydrophobicContact CZ-CB 3.98Å; G280-A284 PolarHBondContact O-N 3.01Å; A281-A284 PolarHBondContact O-N 2.83Å; A284-K286 VanDerWaalsContact C-N 3.32Å; A284-K286 PolarHBondContact O-N 2.92Å; A284-L287 PolarHBondContact O-N 3.07Å; A284-W288 PolarHBondContact O-N 2.89Å
285L98.1Very high95.3Very high0 Ų034.2 Ų34.20%017%0.174CC..Hα-helixtrans-61.1-39.9174.3-69.5174.8000111.7V106 L214 A219 V222 A223 A281 K282 F283 L287 W288 L289V106-L285 HydrophobicContact CG2-CD2 3.58Å; L214-L285 HydrophobicContact CD1-CD1 3.9Å; L214-L285 HydrophobicContact CD1-CD2 4.38Å; A219-L285 HydrophobicContact CB-CB 4.49Å; A219-L285 HydrophobicContact CB-CD1 4.4Å; A219-L285 HydrophobicContact CB-CD2 4.18Å; V222-L285 HydrophobicContact CB-CD1 4.5Å; V222-L285 HydrophobicContact CG1-CD1 3.94Å; A223-L285 HydrophobicContact CB-CB 4.34Å; A281-L285 VanDerWaalsContact O-CG 3.3Å; A281-L285 WeakPolarHBondContact O-CG 3.29Å; A281-L285 PolarHBondContact O-N 2.72Å; K282-L285 PolarHBondContact O-N 3.35Å; F283-L285 PolarHBondContact O-N 3.08Å; L285-L287 PolarHBondContact O-N 3.32Å; L285-W288 HydrophobicContact CD2-CE3 4.14Å; L285-W288 WeakPolarHBondContact O-CB 3.43Å; L285-W288 PolarHBondContact O-N 3.27Å; L285-L289 VanDerWaalsContact O-CG 3.29Å; L285-L289 WeakPolarHBondContact O-CG 3.31Å; L285-L289 PolarHBondContact O-N 3.04Å
286K96.8Very high95.3Very high61 Ų6133.6 Ų33.627%0.26517%0.172SC..Hα-helixtrans-60-45174.2-172.4179.6-178.3175.40111.9A223 D227 K282 F283 A284 W288 L289 Q290A223-K286 HydrophobicContact CB-CB 4.14Å; D227-K286 IonicContact OD2-NZ 2.74Å; D227-K286 PolarHBondContact OD2-NZ 3.28Å; K282-K286 PolarHBondContact O-N 3.45Å; F283-K286 WeakPolarHBondContact O-CB 3.3Å; F283-K286 PolarHBondContact O-N 2.96Å; A284-K286 VanDerWaalsContact C-N 3.32Å; A284-K286 PolarHBondContact O-N 2.92Å; K286-W288 VanDerWaalsContact C-N 3.35Å; K286-L289 PolarHBondContact O-N 3.23Å; K286-Q290 WeakPolarHBondContact O-CG 3.36Å; K286-Q290 PolarHBondContact O-N 2.99Å
287L97.8Very high95.4Very high11 Ų1134.9 Ų34.96%0.05818%0.179CC..Hα-helixtrans-66.8-37.2177.8-63.8178.4000112.2P62 L161 F283 A284 L285 Q290 H291P62-L287 HydrophobicContact CB-CD2 4.34Å; P62-L287 HydrophobicContact CG-CD1 3.99Å; P62-L287 HydrophobicContact CG-CD2 3.64Å; P62-L287 HydrophobicContact CG-CG 4.49Å; L161-L287 HydrophobicContact CB-CB 4.07Å; L161-L287 HydrophobicContact CB-CD1 3.97Å; L161-L287 HydrophobicContact CD1-CB 4.42Å; L161-L287 HydrophobicContact CD2-CB 4.28Å; F283-L287 HydrophobicContact CD1-CD1 4.15Å; F283-L287 HydrophobicContact CE1-CD1 3.56Å; F283-L287 HydrophobicContact CE1-CG 4.48Å; F283-L287 HydrophobicContact CE2-CD1 3.97Å; F283-L287 HydrophobicContact CE2-CD2 4.25Å; F283-L287 HydrophobicContact CE2-CG 4.15Å; F283-L287 HydrophobicContact CZ-CD1 3.48Å; F283-L287 VanDerWaalsContact CZ-CD1 3.48Å; F283-L287 HydrophobicContact CZ-CD2 4.42Å; F283-L287 HydrophobicContact CZ-CG 4.17Å; F283-L287 WeakPolarHBondContact O-CG 3.43Å; F283-L287 PolarHBondContact O-N 3.35Å; F283-L287 VanDerWaalsContact O-N 3.1Å; A284-L287 PolarHBondContact O-N 3.07Å; L285-L287 PolarHBondContact O-N 3.32Å; L287-Q290 PolarHBondContact O-N 3.19Å; L287-H291 PolarHBondContact O-N 3.11Å
288W98.4Very high95.3Very high0 Ų036.9 Ų36.90%019%0.189CC..Hα-helixtrans-61.4-45.4173.1168.858.6000112.2I98 Q100 Q104 V106 L161 P216 A219 A284 L285 K286 Q290 H291 L292I98-W288 HydrophobicContact CG2-CB 4.19Å; I98-W288 HydrophobicContact CG2-CG 4.1Å; Q100-W288 HydrophobicContact CG-CZ2 4.43Å; Q104-W288 WeakPolarHBondContact O-CH2 3.47Å; Q104-W288 VanDerWaalsContact O-CZ2 3.27Å; Q104-W288 WeakPolarHBondContact O-CZ2 3.19Å; V106-W288 HydrophobicContact CB-CH2 4.49Å; V106-W288 HydrophobicContact CG1-CD2 3.66Å; V106-W288 HydrophobicContact CG1-CE3 4.06Å; V106-W288 HydrophobicContact CG1-CG 4.2Å; V106-W288 HydrophobicContact CG1-CH2 3.9Å; V106-W288 HydrophobicContact CG1-CZ2 3.5Å; V106-W288 VanDerWaalsContact CG1-CZ2 3.5Å; V106-W288 HydrophobicContact CG1-CZ3 4.15Å; V106-W288 HydrophobicContact CG2-CD2 4.37Å; V106-W288 HydrophobicContact CG2-CE3 3.91Å; V106-W288 HydrophobicContact CG2-CH2 3.94Å; V106-W288 HydrophobicContact CG2-CZ2 4.42Å; V106-W288 HydrophobicContact CG2-CZ3 3.67Å; L161-W288 HydrophobicContact CD1-CB 4.46Å; P216-W288 HydrophobicContact CB-CH2 4.29Å; P216-W288 HydrophobicContact CG-CH2 3.9Å; P216-W288 HydrophobicContact CG-CZ2 4.4Å; A219-W288 HydrophobicContact CB-CE3 4.09Å; A219-W288 HydrophobicContact CB-CZ3 3.51Å; A284-W288 PolarHBondContact O-N 2.89Å; L285-W288 HydrophobicContact CD2-CE3 4.14Å; L285-W288 WeakPolarHBondContact O-CB 3.43Å; L285-W288 PolarHBondContact O-N 3.27Å; K286-W288 VanDerWaalsContact C-N 3.35Å; W288-Q290 VanDerWaalsContact C-N 3.34Å; W288-Q290 PolarHBondContact O-N 3.06Å; W288-H291 WeakPolarHBondContact O-CB 3.21Å; W288-H291 PolarHBondContact O-N 3.1Å; W288-H291 VanDerWaalsContact O-N 3.12Å; W288-L292 HydrophobicContact CD2-CD1 4.32Å; W288-L292 HydrophobicContact CH2-CD1 4.21Å; W288-L292 HydrophobicContact CZ2-CD1 3.5Å; W288-L292 PolarHBondContact O-N 3.07Å
289L97.3Very high95.3Very high12 Ų1237.1 Ų37.16%0.06319%0.19CC..Hα-helixtrans-61.9-41.8176.2-68.8163000112P216 A219 A220 L285 K286 H291 L292 G293 R294P216-L289 HydrophobicContact CB-CD2 3.96Å; P216-L289 WeakPolarHBondContact O-CD2 3.34Å; A219-L289 HydrophobicContact CB-CD1 4.4Å; A220-L289 VanDerWaalsContact CA-CD1 3.42Å; A220-L289 HydrophobicContact CB-CD1 3.8Å; L285-L289 VanDerWaalsContact O-CG 3.29Å; L285-L289 WeakPolarHBondContact O-CG 3.31Å; L285-L289 PolarHBondContact O-N 3.04Å; K286-L289 PolarHBondContact O-N 3.23Å; L289-H291 VanDerWaalsContact C-N 3.28Å; L289-H291 PolarHBondContact O-N 2.7Å; L289-L292 CarbonylContact O-C 3.17Å; L289-L292 WeakPolarHBondContact O-CA 3.44Å; L289-L292 WeakPolarHBondContact O-CB 3.39Å; L289-L292 PolarHBondContact O-N 2.58Å; L289-L292 VanDerWaalsContact O-N 3.08Å; L289-G293 PolarHBondContact O-N 2.7Å; L289-G293 VanDerWaalsContact O-N 3.17Å; L289-R294 CarbonylContact C-O 3.59Å; L289-R294 HydrophobicContact CD2-CB 4.45Å; L289-R294 PolarHBondContact O-N 3.28Å
290Q96Very high95.3Very high96 Ų9638.9 Ų38.945%0.44920%0.198SC..Hα-helixtrans-59.8-39.6173.3-71.3172.6-2.300112K286 L287 W288 L292 G293K286-Q290 WeakPolarHBondContact O-CG 3.36Å; K286-Q290 PolarHBondContact O-N 2.99Å; L287-Q290 PolarHBondContact O-N 3.19Å; W288-Q290 VanDerWaalsContact C-N 3.34Å; W288-Q290 PolarHBondContact O-N 3.06Å; Q290-L292 VanDerWaalsContact C-N 3.31Å; Q290-L292 PolarHBondContact O-N 2.88Å; Q290-G293 PolarHBondContact O-N 2.76Å
291H96.5Very high95.2Very high88 Ų8841.6 Ų41.641%0.40721%0.212SC..Hα-helixtrans-63.1-36.8174.8-178.683.1000112.2L161 L187 L287 W288 L289 G293L161-H291 HydrophobicContact CD2-CB 4.49Å; L187-H291 HydrophobicContact CD2-CB 4.31Å; L187-H291 WeakPolarHBondContact CD2-CD2 3.46Å; L287-H291 PolarHBondContact O-N 3.11Å; W288-H291 WeakPolarHBondContact O-CB 3.21Å; W288-H291 PolarHBondContact O-N 3.1Å; W288-H291 VanDerWaalsContact O-N 3.12Å; L289-H291 VanDerWaalsContact C-N 3.28Å; L289-H291 PolarHBondContact O-N 2.7Å; H291-G293 PolarHBondContact O-N 3.1Å
292L94.6Very high95Very high45 Ų4544.8 Ų44.824%0.23623%0.228CC..THydrogen-bonded Turntrans-72-7.4172.4-66.9-179.4000113.8P216 W288 L289 Q290 R294P216-L292 HydrophobicContact CG-CD1 4.29Å; W288-L292 HydrophobicContact CD2-CD1 4.32Å; W288-L292 HydrophobicContact CH2-CD1 4.21Å; W288-L292 HydrophobicContact CZ2-CD1 3.5Å; W288-L292 PolarHBondContact O-N 3.07Å; L289-L292 CarbonylContact O-C 3.17Å; L289-L292 WeakPolarHBondContact O-CA 3.44Å; L289-L292 WeakPolarHBondContact O-CB 3.39Å; L289-L292 PolarHBondContact O-N 2.58Å; L289-L292 VanDerWaalsContact O-N 3.08Å; Q290-L292 VanDerWaalsContact C-N 3.31Å; Q290-L292 PolarHBondContact O-N 2.88Å; L292-R294 HydrophobicContact CB-CG 4.22Å
293G91Very high94.9Very high71 Ų7148.3 Ų48.373%0.73225%0.246SC*.THydrogen-bonded Turntrans73.729.1-173.800000113.7L289 Q290 H291L289-G293 PolarHBondContact O-N 2.7Å; L289-G293 VanDerWaalsContact O-N 3.17Å; Q290-G293 PolarHBondContact O-N 2.76Å; H291-G293 PolarHBondContact O-N 3.1Å
294R77.2Confident94.7Very high186 Ų18651.8 Ų51.870%0.70227%0.265SS*.  trans-111.20-179.5-65.6-180178.6-104.32.9112.6L289 L292L289-R294 CarbonylContact C-O 3.59Å; L289-R294 HydrophobicContact CD2-CB 4.45Å; L289-R294 PolarHBondContact O-N 3.28Å; L292-R294 HydrophobicContact CB-CG 4.22Å

Retrieved 294 of 294 residues in 264.1 ms (Link to these results)

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