A0A076JT77_HUMAN Loading...

MHC class I antigen

AlphaFold DB , UniProt , Accession A0A076JT77, Species HUMAN (Homo sapiens, Human), Gene HLA-A, Length 337 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
1M38.9Very low35.9Very low246 Ų246148.5 Ų148.5100%1.21283%0.827SS**  098.60-96173-86.900107.6
2A33.5Very low35.9Very low97 Ų97146.5 Ų146.580%0.80281%0.813SS**  trans-76.4132.4167.200000108.2
3V32.4Very low35.9Very low146 Ų146149.8 Ų149.889%0.88583%0.827SS**  trans-130.7101.6149.5-179.60000105.7
4M33.8Very low36.4Very low184 Ų184145.5 Ų145.591%0.90681%0.812SS**  trans-106.8112.6173.5-168.4-177.6-147.900105.4
5A30Very low36.6Very low87 Ų87141.1 Ų141.172%0.71981%0.813SS**  trans-172.7150.6165.600000109.8
6P36.2Very low36.4Very low108 Ų108137.9 Ų137.970%0.70181%0.808SS**  cis-123.3147.4-47.627.2-10.3000110.9T8P6-T8 PolarHBondContact O-N 3.08Å; P6-T8 VanDerWaalsContact O-N 3.08Å
7R43.4Very low36.5Very low246 Ų246138.8 Ų138.893%0.92881%0.808SS**  trans-65.499.2161.2-79175.2162.5147.5-5.4108.5
8T36.3Very low36.3Very low122 Ų122135.6 Ų135.675%0.74880%0.8SS**  trans-86.6105.2161.821.30000108.9P6 V10P6-T8 PolarHBondContact O-N 3.08Å; P6-T8 VanDerWaalsContact O-N 3.08Å; T8-V10 PolarHBondContact O-N 3.47Å
9L35.4Very low36.2Very low134 Ų134136.9 Ų136.970%0.70280%0.802SS**  trans-24.1114153.4-94.359.9000112.4L11L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 HydrophobicContact CB-CG 4.2Å; L9-L11 HydrophobicContact CD2-CD1 3.31Å; L9-L11 HydrophobicContact CD2-CG 3.75Å; L9-L11 HydrophobicContact CG-CD1 4.08Å; L9-L11 HydrophobicContact CG-CG 3.94Å; L9-L11 PolarHBondContact O-N 3.15Å
10V36.8Very low36.2Very low147 Ų147135 Ų13589%0.89179%0.793SS**  trans-92.681.3149.9179.20000105.1T8T8-V10 PolarHBondContact O-N 3.47Å
11L38.3Very low36.2Very low116 Ų116137.1 Ų137.161%0.60780%0.795SS**  trans-79.6122.7167.7-84.8174.4000108.2L9L9-L11 VanDerWaalsContact C-N 3.32Å; L9-L11 HydrophobicContact CB-CG 4.2Å; L9-L11 HydrophobicContact CD2-CD1 3.31Å; L9-L11 HydrophobicContact CD2-CG 3.75Å; L9-L11 HydrophobicContact CG-CD1 4.08Å; L9-L11 HydrophobicContact CG-CG 3.94Å; L9-L11 PolarHBondContact O-N 3.15Å
12L36Very low36.5Very low125 Ų125129.8 Ų129.865%0.65476%0.764SS**  trans57.486139.6-57.5164.9000116.6S14L12-S14 VanDerWaalsContact CD2-OG 3.3Å; L12-S14 WeakPolarHBondContact CD2-OG 3.32Å; L12-S14 PolarHBondContact O-N 2.92Å
13L35.9Very low37.4Very low189 Ų189133.7 Ų133.799%0.9976%0.758SS**SBendtrans-81.534.8150.1-84.2165.7000111.4
14S42.9Very low38.7Very low90 Ų90129.1 Ų129.163%0.62974%0.735SS**  trans-11698.1170.730.80000107.7L12L12-S14 VanDerWaalsContact CD2-OG 3.3Å; L12-S14 WeakPolarHBondContact CD2-OG 3.32Å; L12-S14 PolarHBondContact O-N 2.92Å
15G39Very low40.8Very low80 Ų80121.6 Ų121.683%0.82571%0.705SS**SBendtrans141.442.3175.900000115.9
16A34.1Very low43.7Very low89 Ų89119.1 Ų119.174%0.73668%0.683SS**  trans-171.567.415000000108.7A18A16-A18 PolarHBondContact O-N 3.36Å
17L37.3Very low46.5Very low154 Ų154114.9 Ų114.981%0.80665%0.653SS**  -58.393126-82.1161.6000102.2L19L17-L19 PolarHBondContact O-N 3.42Å
18A33.3Very low49.1Very low80 Ų80104.2 Ų104.266%0.66162%0.617SS**  trans-47.4106.2154.700000101.9A16 T20A16-A18 PolarHBondContact O-N 3.36Å; A18-T20 PolarHBondContact O-N 3.18Å
19L34Very low52.1Low161 Ų16198.4 Ų98.484%0.84358%0.581SS**  trans-44.1107.6154.7-87110.2000101.1L17 Q21L17-L19 PolarHBondContact O-N 3.42Å; L19-Q21 PolarHBondContact O-N 2.88Å
20T36.3Very low55.1Low99 Ų9994.3 Ų94.361%0.60756%0.556SS**  trans-45.6106.8155.942.90000101A18 T22A18-T20 PolarHBondContact O-N 3.18Å; T20-T22 PolarHBondContact O-N 3.42Å
21Q37.3Very low58.1Low180 Ų18087.6 Ų87.684%0.84152%0.515SS*.  trans-53.392.5154.4-105.7174.5-20.700100.4L19 W23L19-Q21 PolarHBondContact O-N 2.88Å; Q21-W23 PolarHBondContact O-N 3.34Å; Q21-W23 VanDerWaalsContact O-N 3.16Å
22T44.5Very low60.9Low91 Ų9186 Ų8656%0.55850%0.503SS*.  trans-51.8128.6176.340.80000101.9T20 A24T20-T22 PolarHBondContact O-N 3.42Å; T22-A24 PolarHBondContact O-N 2.96Å
23W51.4Low63.9Low179 Ų17980.3 Ų80.368%0.67847%0.473SS*.  trans-70.652.9178.2-6374.5000108.9Q21 G25 S26 L134Q21-W23 PolarHBondContact O-N 3.34Å; Q21-W23 VanDerWaalsContact O-N 3.16Å; W23-G25 PolarHBondContact O-N 3.47Å; W23-G25 VanDerWaalsContact O-N 3.1Å; W23-S26 WeakPolarHBondContact CB-OG 3.42Å; W23-S26 PolarHBondContact O-N 3.34Å; W23-S26 PolarHBondContact O-OG 3.16Å; W23-L134 HydrophobicContact CE3-CD1 3.87Å; W23-L134 HydrophobicContact CH2-CD1 4.27Å; W23-L134 HydrophobicContact CZ3-CD1 3.31Å; W23-L134 HydrophobicContact CZ3-CD2 4.27Å; W23-L134 HydrophobicContact CZ3-CG 4.3Å
24A60.4Low66.9Low50 Ų5073.3 Ų73.341%0.41344%0.438SS..THydrogen-bonded Turntrans-57.7117.6177.800000106.6T22 E288T22-A24 PolarHBondContact O-N 2.96Å; A24-E288 WeakPolarHBondContact CA-OE1 3.5Å; A24-E288 HydrophobicContact CB-CG 4.37Å
25G77.4Confident69.6Low26 Ų2669 Ų6927%0.26841%0.408SS..THydrogen-bonded Turntrans78.211.1-175.200000117W23 S129 E288W23-G25 PolarHBondContact O-N 3.47Å; W23-G25 VanDerWaalsContact O-N 3.1Å; G25-S129 WeakPolarHBondContact O-CA 3.19Å; G25-S129 PolarHBondContact O-N 3.19Å; G25-E288 PolarHBondContact N-OE1 3.3Å
26S91.8Very high72.4Confident36 Ų3667.8 Ų67.825%0.25238%0.384SS..  trans-81.3151162.2800000110.4W23 V127W23-S26 WeakPolarHBondContact CB-OG 3.42Å; W23-S26 PolarHBondContact O-N 3.34Å; W23-S26 PolarHBondContact O-OG 3.16Å; S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.5Å; S26-V127 WeakPolarHBondContact CB-O 3.36Å
27H95.6Very high75.5Confident18 Ų1864.3 Ų64.38%0.08336%0.355CS..EExtended strand (participates in β ladder)trans-135156.7178.3-64.4-79.5000111.3D53 D126 V127 L192 L196H27-D53 VanDerWaalsContact CA-OD1 3.22Å; H27-D53 WeakPolarHBondContact CA-OD1 3.44Å; H27-D53 IonicContact CE1-OD2 3.43Å; H27-D53 IonicContact CG-OD2 2.94Å; H27-D53 IonicContact ND1-OD1 3.74Å; H27-D53 IonicContact ND1-OD2 3.93Å; H27-D53 PolarHBondContact ND1-OD2 3.49Å; H27-D126 CarbonylContact O-C 3.43Å; H27-D126 WeakPolarHBondContact O-CA 3.29Å; H27-V127 HydrophobicContact CB-CG2 3.97Å; H27-V127 PolarHBondContact N-O 2.85Å; H27-V127 PolarHBondContact O-N 3.09Å; H27-L192 HydrophobicContact CB-CD1 4.49Å; H27-L196 HydrophobicContact CB-CD1 3.43Å; H27-L196 VanDerWaalsContact CB-CD1 3.43Å; H27-L196 HydrophobicContact CB-CD2 4.13Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.47Å
28S97.6Very high78.3Confident22 Ų2260.7 Ų60.715%0.15433%0.331CS..EExtended strand (participates in β ladder)trans-133.9149.4179.167.20000111.9V52 D53 C125 D126S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.3Å; S28-D53 PolarHBondContact N-OD1 3.4Å; S28-D53 PolarHBondContact O-N 3.05Å; S28-C125 WeakPolarHBondContact CA-O 3.37Å; S28-D126 WeakPolarHBondContact CB-OD1 3.5Å
29M98.6Very high81.2Confident0 Ų059.5 Ų59.50%032%0.316CS..EExtended strand (participates in β ladder)trans-120.1123.9165.9-170.4167.557.700108.8Y31 Y51 V52 F57 G124 C125 C188 W191 L192 Y195M29-Y31 HydrophobicContact CE-CE2 4.04Å; M29-Y31 HydrophobicContact CG-CE2 3.99Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; M29-Y51 WeakPolarHBondContact CA-O 3.49Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; M29-F57 HydrophobicContact SD-CZ 4.33Å; M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.32Å; M29-C125 PolarHBondContact N-O 2.83Å; M29-C125 PolarHBondContact O-N 3.12Å; M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.35Å; M29-W191 HydrophobicContact CE-CB 4.03Å; M29-W191 HydrophobicContact SD-CB 4.43Å; M29-L192 HydrophobicContact CB-CB 4.14Å; M29-L192 HydrophobicContact CB-CD1 3.99Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.39Å; M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.48Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.3Å
30R98.6Very high84Confident48 Ų4856.2 Ų56.218%0.18132%0.321CS..EExtended strand (participates in β ladder)trans-131.2134.6-177.3-56.7-63.8179.577.53.8111.1F32 G50 Y51 D126 Y137R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.88Å; R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.3Å; R30-Y51 PolarHBondContact N-O 3.48Å; R30-Y51 PolarHBondContact O-N 3.36Å; R30-D126 IonicContact CZ-OD1 3.9Å; R30-D126 IonicContact NE-OD1 2.8Å; R30-D126 PolarHBondContact NE-OD1 3.26Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 3.7Å; R30-D126 PolarHBondContact NH2-OD1 2.92Å; R30-D126 IonicContact NH2-OD2 2.84Å; R30-D126 PolarHBondContact NH2-OD2 3.38Å; R30-D126 VanDerWaalsContact NH2-OD2 3.12Å; R30-Y137 VanDerWaalsContact NH2-CZ 3.3Å; R30-Y137 PolarHBondContact NH2-OH 2.98Å
31Y98.8Very high86.7Confident7 Ų761.3 Ų61.33%0.02733%0.329CS..EExtended strand (participates in β ladder)trans-112.6134.2171.2-64.8-87.9000109.6M29 Y33 V49 F57 M58 M122 Y123M29-Y31 HydrophobicContact CE-CE2 4.04Å; M29-Y31 HydrophobicContact CG-CE2 3.99Å; M29-Y31 HydrophobicContact SD-CE2 4.02Å; Y31-Y33 HydrophobicContact CD1-CE1 4.48Å; Y31-V49 WeakPolarHBondContact CA-O 3.34Å; Y31-F57 HydrophobicContact CE1-CZ 4.07Å; Y31-M58 HydrophobicContact CD1-SD 4.39Å; Y31-M58 HydrophobicContact CE1-CE 3.89Å; Y31-M58 HydrophobicContact CE1-SD 3.72Å; Y31-M122 WeakPolarHBondContact O-CA 3.49Å; Y31-Y123 VanDerWaalsContact CB-CE1 3.5Å; Y31-Y123 HydrophobicContact CD2-CD2 4.23Å; Y31-Y123 HydrophobicContact CD2-CE1 4.4Å; Y31-Y123 AromaticContact CD2-CE2 3.51Å; Y31-Y123 HydrophobicContact CD2-CE2 3.51Å; Y31-Y123 AromaticContact CD2-CZ 3.63Å; Y31-Y123 HydrophobicContact CE2-CE2 4.21Å; Y31-Y123 HydrophobicContact CG-CE1 4.17Å; Y31-Y123 HydrophobicContact CG-CE2 4.09Å; Y31-Y123 AromaticContact CG-CZ 3.7Å; Y31-Y123 PolarHBondContact N-O 3.48Å; Y31-Y123 PolarHBondContact O-N 3.46Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å
32F98.8Very high89.4Confident81 Ų8155.4 Ų55.436%0.35532%0.317SS..EExtended strand (participates in β ladder)trans-122.6116.8178.7-56.8-95.4000109.6R30 A48 V49 Y51 R121 M122R30-F32 HydrophobicContact CB-CD2 4.41Å; R30-F32 HydrophobicContact CB-CE2 3.57Å; R30-F32 HydrophobicContact CB-CZ 3.88Å; F32-A48 WeakPolarHBondContact O-CA 3.28Å; F32-V49 HydrophobicContact CB-CG2 3.81Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 2.94Å; F32-V49 PolarHBondContact O-N 3.48Å; F32-Y51 HydrophobicContact CD2-CD2 4.09Å; F32-Y51 HydrophobicContact CE2-CD2 4.1Å; F32-R121 WeakPolarHBondContact CA-O 3.33Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.62Å; F32-M122 HydrophobicContact CE1-CB 4.16Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.46Å; F32-M122 HydrophobicContact CZ-CG 4.02Å
33Y98.7Very high91.8Very high6 Ų655.3 Ų55.32%0.02431%0.31CS..EExtended strand (participates in β ladder)trans-111.5132.8178.1-58.1-14.8000109.3Y31 F46 I47 A48 H94 Q120 R121 Y123Y31-Y33 HydrophobicContact CD1-CE1 4.48Å; Y33-F46 HydrophobicContact CD1-CZ 4.34Å; Y33-F46 AromaticContact CD2-CZ 3.99Å; Y33-F46 HydrophobicContact CD2-CZ 3.99Å; Y33-F46 HydrophobicContact CG-CE2 4.45Å; Y33-F46 AromaticContact CG-CZ 3.8Å; Y33-F46 HydrophobicContact CG-CZ 3.8Å; Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.47Å; Y33-A48 HydrophobicContact CD1-CB 3.28Å; Y33-A48 HydrophobicContact CE1-CB 3.42Å; Y33-A48 VanDerWaalsContact CE1-CB 3.42Å; Y33-A48 HydrophobicContact CG-CB 4.23Å; Y33-H94 HydrophobicContact CD2-CB 4.37Å; Y33-H94 HydrophobicContact CE2-CB 4.19Å; Y33-H94 AromaticContact CE2-CG 3.89Å; Y33-Q120 CarbonylContact O-C 3.48Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.39Å; Y33-R121 PolarHBondContact N-O 3.19Å; Y33-R121 PolarHBondContact O-N 3.17Å; Y33-Y123 HydrophobicContact CD2-CE1 4.23Å; Y33-Y123 HydrophobicContact CE1-CE1 4.31Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.62Å; Y33-Y123 PolarHBondContact OH-OH 3.42Å
34T98.8Very high94Very high42 Ų4247.8 Ų47.826%0.25829%0.285SS..EExtended strand (participates in β ladder)trans-130.2125.8177.1-57.30000108.9V36 F46 I47 T118 Q120T34-V36 HydrophobicContact CG2-CG2 4.09Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; T34-I47 PolarHBondContact N-O 2.92Å; T34-I47 PolarHBondContact O-N 3.3Å; T34-T118 HydrophobicContact CG2-CG2 3.96Å; T34-Q120 HydrophobicContact CG2-CG 4.01Å
35S98.7Very high95.8Very high1 Ų149.8 Ų49.81%0.00728%0.282CS..EExtended strand (participates in β ladder)trans-119.7128.3171.7-165.50000110.1R45 L102 T118 V119S35-R45 CarbonylContact C-O 3.52Å; S35-R45 VanDerWaalsContact CA-O 3.26Å; S35-R45 WeakPolarHBondContact CA-O 3.3Å; S35-L102 WeakPolarHBondContact OG-CD1 3.38Å; S35-T118 CarbonylContact O-C 3.58Å; S35-T118 VanDerWaalsContact O-CA 3.32Å; S35-T118 WeakPolarHBondContact O-CA 3.46Å; S35-V119 PolarHBondContact N-O 3.43Å; S35-V119 PolarHBondContact O-N 3.28Å
36V98.6Very high96.8Very high53 Ų5348.6 Ų48.632%0.32127%0.269SS..EExtended strand (participates in β ladder)trans-120.1115.7-179.7-173.20000108.4T34 P44 R45 H117 T118T34-V36 HydrophobicContact CG2-CG2 4.09Å; V36-P44 CarbonylContact O-C 3.59Å; V36-P44 WeakPolarHBondContact O-CA 3.32Å; V36-P44 WeakPolarHBondContact O-CB 3.48Å; V36-R45 PolarHBondContact N-O 3.48Å; V36-R45 PolarHBondContact O-N 2.89Å; V36-H117 WeakPolarHBondContact CA-O 3.31Å; V36-T118 HydrophobicContact CG2-CG2 4.17Å
37S98Very high97.1Very high17 Ų1749 Ų4912%0.11927%0.268CS..  trans-67.4148.1173.7710000110.3S116 H117S37-S116 PolarHBondContact O-OG 3.42Å; S37-H117 PolarHBondContact N-O 2.88Å; S37-H117 PolarHBondContact OG-N 2.83Å; S37-H117 PolarHBondContact OG-O 2.96Å
38R96.6Very high97.3Very high77 Ų7748.2 Ų48.229%0.29126%0.264SS..  trans-136.874.1179.855174.9175.4-157.8-12.3111G40 R41 E43 D63R38-G40 PolarHBondContact O-N 3Å; R38-R41 HydrophobicContact CB-CB 4.06Å; R38-R41 VanDerWaalsContact CD-O 3.28Å; R38-R41 WeakPolarHBondContact CD-O 3.37Å; R38-R41 HydrophobicContact CG-CB 4.1Å; R38-R41 PolarHBondContact NE-O 3.3Å; R38-R41 VanDerWaalsContact NE-O 3.12Å; R38-R41 WeakPolarHBondContact O-CA 3.5Å; R38-R41 PolarHBondContact O-N 3.04Å; R38-E43 PolarHBondContact NE-O 2.99Å; R38-E43 PolarHBondContact NH2-O 3.23Å; R38-D63 IonicContact CZ-OD1 3.48Å; R38-D63 IonicContact CZ-OD2 3.76Å; R38-D63 IonicContact NH1-OD1 2.83Å; R38-D63 PolarHBondContact NH1-OD1 3.3Å; R38-D63 IonicContact NH1-OD2 3.71Å; R38-D63 PolarHBondContact NH1-OD2 2.94Å; R38-D63 IonicContact NH2-OD1 3.33Å; R38-D63 PolarHBondContact NH2-OD1 3.39Å; R38-D63 IonicContact NH2-OD2 3.8Å
39P94.1Very high97.3Very high56 Ų5648.4 Ų48.436%0.36427%0.265SS..THydrogen-bonded Turntrans-49.3129.5-176.4-2734.4000112.3R41 E113 G115P39-R41 PolarHBondContact O-N 3.49Å; P39-E113 WeakPolarHBondContact CB-O 3.37Å; P39-E113 VanDerWaalsContact CG-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; P39-G115 WeakPolarHBondContact CG-O 3.22Å
40G92.8Very high97.3Very high92 Ų9248.4 Ų48.495%0.94827%0.265SS*.THydrogen-bonded Turntrans73.32.7-177.800000115.9R38R38-G40 PolarHBondContact O-N 3Å
41R94.1Very high97.3Very high205 Ų20549.5 Ų49.577%0.77427%0.269SS*.SBendtrans-123.523-179.5-58.7-176.2180-179.60.5113.4R38 P39R38-R41 HydrophobicContact CB-CB 4.06Å; R38-R41 VanDerWaalsContact CD-O 3.28Å; R38-R41 WeakPolarHBondContact CD-O 3.37Å; R38-R41 HydrophobicContact CG-CB 4.1Å; R38-R41 PolarHBondContact NE-O 3.3Å; R38-R41 VanDerWaalsContact NE-O 3.12Å; R38-R41 WeakPolarHBondContact O-CA 3.5Å; R38-R41 PolarHBondContact O-N 3.04Å; P39-R41 PolarHBondContact O-N 3.49Å
42G92.7Very high97.3Very high57 Ų5749.1 Ų49.159%0.58827%0.268SS*.SBendtrans94.1-160.9178.500000114
43E94.9Very high97.1Very high89 Ų8946.8 Ų46.842%0.41626%0.259SS..SBendtrans-67.5150.9-177.3-66.5-60.7162.600112.6R38 R45 R99R38-E43 PolarHBondContact NE-O 2.99Å; R38-E43 PolarHBondContact NH2-O 3.23Å; E43-R45 PolarHBondContact O-N 2.69Å; E43-R99 VanDerWaalsContact CD-NH2 3.33Å; E43-R99 IonicContact OE1-CZ 3.57Å; E43-R99 IonicContact OE1-NH1 3.78Å; E43-R99 PolarHBondContact OE1-NH1 3Å; E43-R99 IonicContact OE1-NH2 3.69Å; E43-R99 PolarHBondContact OE1-NH2 2.03Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.87Å; E43-R99 IonicContact OE2-NE 3.96Å; E43-R99 PolarHBondContact OE2-NE 2.98Å; E43-R99 VanDerWaalsContact OE2-NE 3.15Å; E43-R99 IonicContact OE2-NH1 2.84Å; E43-R99 PolarHBondContact OE2-NH1 2.79Å; E43-R99 IonicContact OE2-NH2 2.82Å; E43-R99 PolarHBondContact OE2-NH2 2.81Å
44P97.4Very high97Very high21 Ų2149.6 Ų49.614%0.13627%0.274CS..PPolyproline II helixtrans-50.9135.7174.4-2634.8000112.3V36 R99 L102V36-P44 CarbonylContact O-C 3.59Å; V36-P44 WeakPolarHBondContact O-CA 3.32Å; V36-P44 WeakPolarHBondContact O-CB 3.48Å; P44-R99 HydrophobicContact CG-CG 4.35Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.67Å
45R98.3Very high96.8Very high92 Ų9248.7 Ų48.735%0.34727%0.269SS..EExtended strand (participates in β ladder)trans-74.3130.4172.6-175.9179-179.5-174.9-0.4108.3S35 V36 E43 I47 D61 S62 D63S35-R45 CarbonylContact C-O 3.52Å; S35-R45 VanDerWaalsContact CA-O 3.26Å; S35-R45 WeakPolarHBondContact CA-O 3.3Å; V36-R45 PolarHBondContact N-O 3.48Å; V36-R45 PolarHBondContact O-N 2.89Å; E43-R45 PolarHBondContact O-N 2.69Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; R45-D61 IonicContact CZ-OD1 3.87Å; R45-D61 IonicContact CZ-OD2 3.75Å; R45-D61 IonicContact NE-OD1 3.26Å; R45-D61 PolarHBondContact NE-OD1 3.41Å; R45-D61 VanDerWaalsContact NE-OD1 3.09Å; R45-D61 IonicContact NE-OD2 3.76Å; R45-D61 IonicContact NH2-OD1 3.61Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 3.14Å; R45-S62 WeakPolarHBondContact CA-OG 3.41Å; R45-D63 WeakPolarHBondContact CD-OD2 3.42Å; R45-D63 IonicContact NE-OD2 2.99Å
46F98.7Very high96.8Very high0 Ų051.1 Ų51.10%028%0.28CS..EExtended strand (participates in β ladder)trans-118.4125.3178.3-178.6-84.5000110Y33 T34 A48 F60 S62 V91 H94 S95 H98Y33-F46 HydrophobicContact CD1-CZ 4.34Å; Y33-F46 AromaticContact CD2-CZ 3.99Å; Y33-F46 HydrophobicContact CD2-CZ 3.99Å; Y33-F46 HydrophobicContact CG-CE2 4.45Å; Y33-F46 AromaticContact CG-CZ 3.8Å; Y33-F46 HydrophobicContact CG-CZ 3.8Å; T34-F46 WeakPolarHBondContact O-CA 3.42Å; F46-A48 HydrophobicContact CE1-CB 3.7Å; F46-A48 HydrophobicContact CZ-CB 4.25Å; F46-F60 AromaticContact CD1-CD1 3.86Å; F46-F60 HydrophobicContact CD1-CD1 3.86Å; F46-F60 AromaticContact CD1-CE1 3.94Å; F46-F60 HydrophobicContact CD1-CE1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 4.25Å; F46-S62 PolarHBondContact N-OG 2.94Å; F46-S62 PolarHBondContact O-N 3.08Å; F46-S62 PolarHBondContact O-OG 3.12Å; F46-V91 HydrophobicContact CD1-CG2 4.38Å; F46-V91 HydrophobicContact CE1-CG2 3.5Å; F46-V91 VanDerWaalsContact CE1-CG2 3.5Å; F46-V91 HydrophobicContact CZ-CG2 4.26Å; F46-H94 HydrophobicContact CZ-CB 4.16Å; F46-S95 WeakPolarHBondContact CB-OG 3.23Å; F46-H98 HydrophobicContact CD2-CB 4.11Å; F46-H98 HydrophobicContact CE2-CB 4.16Å; F46-H98 AromaticContact CE2-CG 3.73Å; F46-H98 AromaticContact CE2-ND1 3.72Å
47I98.8Very high96.8Very high46 Ų4648.6 Ų48.624%0.23627%0.265CS..EExtended strand (participates in β ladder)trans-121.9133.1176.2-58174.6000107.9Y33 T34 R45 V49 F60Y33-I47 CarbonylContact C-O 3.56Å; Y33-I47 WeakPolarHBondContact CA-O 3.47Å; T34-I47 PolarHBondContact N-O 2.92Å; T34-I47 PolarHBondContact O-N 3.3Å; R45-I47 HydrophobicContact CG-CG1 4.37Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å
48A98.8Very high96.8Very high1 Ų147.8 Ų47.81%0.00826%0.259CS..EExtended strand (participates in β ladder)trans-126.8138.1171.600000110.3F32 Y33 F46 R59 F60 V91F32-A48 WeakPolarHBondContact O-CA 3.28Å; Y33-A48 HydrophobicContact CD1-CB 3.28Å; Y33-A48 HydrophobicContact CE1-CB 3.42Å; Y33-A48 VanDerWaalsContact CE1-CB 3.42Å; Y33-A48 HydrophobicContact CG-CB 4.23Å; F46-A48 HydrophobicContact CE1-CB 3.7Å; F46-A48 HydrophobicContact CZ-CB 4.25Å; A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.47Å; A48-F60 HydrophobicContact CB-CB 4.28Å; A48-F60 PolarHBondContact N-O 2.9Å; A48-F60 PolarHBondContact O-N 3.35Å; A48-V91 HydrophobicContact CB-CG2 3.59Å
49V98.8Very high96.9Very high26 Ų2648 Ų4816%0.15826%0.26CS..EExtended strand (participates in β ladder)trans-134.8145174.5-62.40000109.9Y31 F32 I47 Y51 M58 R59Y31-V49 WeakPolarHBondContact CA-O 3.34Å; F32-V49 HydrophobicContact CB-CG2 3.81Å; F32-V49 HydrophobicContact CD2-CG2 4.27Å; F32-V49 HydrophobicContact CG-CG2 4.48Å; F32-V49 PolarHBondContact N-O 2.94Å; F32-V49 PolarHBondContact O-N 3.48Å; I47-V49 HydrophobicContact CG2-CG1 4.39Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.79Å; V49-M58 WeakPolarHBondContact CA-O 3.45Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.19Å
50G98.7Very high97.1Very high0 Ų045.6 Ų45.60%024%0.244CC..EExtended strand (participates in β ladder)trans-120.4138.2175.600000110.5R30 Q56 F57 M58R30-G50 CarbonylContact O-C 3.54Å; R30-G50 WeakPolarHBondContact O-CA 3.3Å; G50-Q56 WeakPolarHBondContact O-CA 3.21Å; G50-F57 WeakPolarHBondContact O-CD1 3.44Å; G50-F57 PolarHBondContact O-N 3.42Å; G50-M58 PolarHBondContact N-O 2.96Å; G50-M58 VanDerWaalsContact N-O 3.17Å
51Y98.6Very high97.4Very high70 Ų7042.1 Ų42.128%0.27520%0.203SC..EExtended strand (participates in β ladder)trans-125.2141.3177.9-75.7-102.2000110.6M29 R30 F32 V49 T55 Q56M29-Y51 WeakPolarHBondContact CA-O 3.49Å; R30-Y51 PolarHBondContact N-O 3.48Å; R30-Y51 PolarHBondContact O-N 3.36Å; F32-Y51 HydrophobicContact CD2-CD2 4.09Å; F32-Y51 HydrophobicContact CE2-CD2 4.1Å; V49-Y51 HydrophobicContact CB-CE2 4.07Å; V49-Y51 HydrophobicContact CG2-CD2 4.31Å; V49-Y51 HydrophobicContact CG2-CE2 3.79Å; Y51-T55 WeakPolarHBondContact CA-O 3.36Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CG 4.39Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.1Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.5Å
52V98.3Very high97.6Very high0 Ų033.1 Ų33.10%017%0.172CC..EExtended strand (participates in β ladder)trans-109119.4156177.50000106S28 M29 D54 T55 F57 W75 L192 Y195 L196 L203S28-V52 CarbonylContact O-C 3.55Å; S28-V52 VanDerWaalsContact O-CA 3.31Å; S28-V52 WeakPolarHBondContact O-CA 3.3Å; M29-V52 HydrophobicContact CG-CG2 4.41Å; V52-D54 PolarHBondContact O-N 2.98Å; V52-T55 PolarHBondContact N-O 2.98Å; V52-T55 WeakPolarHBondContact O-CB 3.49Å; V52-T55 PolarHBondContact O-N 3.3Å; V52-F57 HydrophobicContact CG2-CD1 4.06Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; V52-W75 HydrophobicContact CB-CH2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.96Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; V52-L196 HydrophobicContact CG1-CD2 3.97Å; V52-L196 HydrophobicContact CG1-CG 4.26Å; V52-L203 HydrophobicContact CB-CD1 4.23Å; V52-L203 HydrophobicContact CB-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å
53D95.7Very high97.8Very high31 Ų3134 Ų3417%0.16616%0.163CC..THydrogen-bonded Turntrans49-123.9-167.3-52.7-39.2000110.7H27 S28 T55H27-D53 VanDerWaalsContact CA-OD1 3.22Å; H27-D53 WeakPolarHBondContact CA-OD1 3.44Å; H27-D53 IonicContact CE1-OD2 3.43Å; H27-D53 IonicContact CG-OD2 2.94Å; H27-D53 IonicContact ND1-OD1 3.74Å; H27-D53 IonicContact ND1-OD2 3.93Å; H27-D53 PolarHBondContact ND1-OD2 3.49Å; S28-D53 PolarHBondContact N-OD1 3.4Å; S28-D53 PolarHBondContact O-N 3.05Å; D53-T55 VanDerWaalsContact C-N 3.34Å
54D95.1Very high97.9Very high65 Ų6531.2 Ų31.235%0.34816%0.155SC..THydrogen-bonded Turntrans-92.17.3179.4-58.8-53.6000113.4V52 Y233 P234 A235 F265V52-D54 PolarHBondContact O-N 2.98Å; D54-Y233 HydrophobicContact CB-CE2 4.24Å; D54-P234 WeakPolarHBondContact OD2-CB 3.44Å; D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.15Å; D54-A235 PolarHBondContact OD2-N 3.16Å; D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.64Å
55T96.3Very high97.9Very high23 Ų2335.6 Ų35.614%0.14119%0.193CC..EExtended strand (participates in β ladder)trans-105.3113.7-175.7-60.50000111.9Y51 V52 D53 F57 L203 Y233Y51-T55 WeakPolarHBondContact CA-O 3.36Å; Y51-T55 VanDerWaalsContact CD1-C 3.48Å; V52-T55 PolarHBondContact N-O 2.98Å; V52-T55 WeakPolarHBondContact O-CB 3.49Å; V52-T55 PolarHBondContact O-N 3.3Å; D53-T55 VanDerWaalsContact C-N 3.34Å; T55-F57 PolarHBondContact O-N 2.92Å; T55-L203 HydrophobicContact CG2-CD2 4.02Å; T55-Y233 PolarHBondContact OG1-OH 2.81Å
56Q97.6Very high97.7Very high52 Ų5233.8 Ų33.824%0.24320%0.195CC..EExtended strand (participates in β ladder)trans-68.3130.5172.9-166.7-179.9-0.400110.4G50 Y51 M58 R72G50-Q56 WeakPolarHBondContact O-CA 3.21Å; Y51-Q56 HydrophobicContact CD1-CB 4.02Å; Y51-Q56 VanDerWaalsContact CD1-N 3.32Å; Y51-Q56 HydrophobicContact CD2-CG 4.39Å; Y51-Q56 HydrophobicContact CE1-CB 3.52Å; Y51-Q56 HydrophobicContact CE1-CG 4.24Å; Y51-Q56 HydrophobicContact CE2-CB 4.1Å; Y51-Q56 HydrophobicContact CE2-CG 3.88Å; Y51-Q56 HydrophobicContact CG-CB 4.5Å; Q56-M58 PolarHBondContact NE2-O 3.45Å; Q56-M58 VanDerWaalsContact NE2-O 3.13Å; Q56-R72 HydrophobicContact CG-CB 4.19Å; Q56-R72 HydrophobicContact CG-CG 4.44Å
57F98.3Very high97.6Very high0 Ų037.9 Ų37.90%021%0.214CC..EExtended strand (participates in β ladder)trans-121.3-17.5-179.575.1-82.9000114.6M29 Y31 G50 V52 T55 R72 A73 W75 I76 Y195M29-F57 HydrophobicContact SD-CZ 4.33Å; Y31-F57 HydrophobicContact CE1-CZ 4.07Å; G50-F57 WeakPolarHBondContact O-CD1 3.44Å; G50-F57 PolarHBondContact O-N 3.42Å; V52-F57 HydrophobicContact CG2-CD1 4.06Å; V52-F57 HydrophobicContact CG2-CE1 4.02Å; T55-F57 PolarHBondContact O-N 2.92Å; F57-R72 PolarHBondContact O-N 2.88Å; F57-A73 HydrophobicContact CB-CB 4.14Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.08Å; F57-W75 AromaticContact CD2-CH2 3.75Å; F57-W75 HydrophobicContact CD2-CH2 3.75Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.09Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; F57-I76 HydrophobicContact CD2-CB 4.41Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.25Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.08Å; F57-Y195 HydrophobicContact CE2-CD2 4.1Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.88Å; F57-Y195 HydrophobicContact CZ-CD2 4.14Å; F57-Y195 AromaticContact CZ-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CE2 3.69Å
58M98Very high97.5Very high1 Ų143 Ų431%0.00523%0.23CC..EExtended strand (participates in β ladder)trans-147.1157.8175.465164.679.600113.2Y31 V49 G50 Q56 M69 E70 Y83Y31-M58 HydrophobicContact CD1-SD 4.39Å; Y31-M58 HydrophobicContact CE1-CE 3.89Å; Y31-M58 HydrophobicContact CE1-SD 3.72Å; V49-M58 WeakPolarHBondContact CA-O 3.45Å; G50-M58 PolarHBondContact N-O 2.96Å; G50-M58 VanDerWaalsContact N-O 3.17Å; Q56-M58 PolarHBondContact NE2-O 3.45Å; Q56-M58 VanDerWaalsContact NE2-O 3.13Å; M58-M69 HydrophobicContact CB-CG 4.22Å; M58-M69 HydrophobicContact CB-SD 3.83Å; M58-M69 HydrophobicContact CG-SD 4.01Å; M58-M69 HydrophobicContact SD-CE 3.72Å; M58-M69 HydrophobicContact SD-CG 4.06Å; M58-M69 HydrophobicContact SD-SD 3.61Å; M58-M69 VanDerWaalsContact SD-SD 3.61Å; M58-E70 VanDerWaalsContact CA-O 3.3Å; M58-E70 WeakPolarHBondContact CA-O 3.34Å; M58-Y83 WeakPolarHBondContact CE-OH 3.41Å
59R98.5Very high97.5Very high82 Ų8243.5 Ų43.531%0.30923%0.232SC..EExtended strand (participates in β ladder)trans-148.3143.5175.4-179.2174.5171.2145.20111.7A48 V49 D61 E70 R72A48-R59 CarbonylContact O-C 3.56Å; A48-R59 VanDerWaalsContact O-CA 3.3Å; A48-R59 WeakPolarHBondContact O-CA 3.47Å; V49-R59 HydrophobicContact CG1-CB 4.46Å; V49-R59 HydrophobicContact CG1-CG 4.19Å; R59-D61 IonicContact NH2-OD2 2.72Å; R59-D61 PolarHBondContact NH2-OD2 2.85Å; R59-E70 PolarHBondContact N-O 3.43Å; R59-E70 PolarHBondContact O-N 2.96Å; R59-R72 HydrophobicContact CB-CG 3.84Å
60F98.8Very high97.5Very high4 Ų445.2 Ų45.22%0.01824%0.239CC..EExtended strand (participates in β ladder)trans-129.7143.4164.9174.6-85.1000109.8F46 I47 A48 Q67 R68 M69 V91 K92F46-F60 AromaticContact CD1-CD1 3.86Å; F46-F60 HydrophobicContact CD1-CD1 3.86Å; F46-F60 AromaticContact CD1-CE1 3.94Å; F46-F60 HydrophobicContact CD1-CE1 3.94Å; F46-F60 HydrophobicContact CE1-CD1 4.25Å; I47-F60 WeakPolarHBondContact CA-O 3.37Å; A48-F60 HydrophobicContact CB-CB 4.28Å; A48-F60 PolarHBondContact N-O 2.9Å; A48-F60 PolarHBondContact O-N 3.35Å; F60-Q67 VanDerWaalsContact CE2-C 3.5Å; F60-Q67 HydrophobicContact CE2-CB 4.35Å; F60-Q67 WeakPolarHBondContact CE2-O 3.48Å; F60-Q67 HydrophobicContact CZ-CB 4.44Å; F60-R68 WeakPolarHBondContact CD2-O 3.5Å; F60-M69 HydrophobicContact CB-CE 3.97Å; F60-M69 HydrophobicContact CB-SD 3.93Å; F60-V91 HydrophobicContact CB-CG1 4.08Å; F60-V91 HydrophobicContact CB-CG2 3.91Å; F60-V91 HydrophobicContact CD1-CG1 4.14Å; F60-V91 HydrophobicContact CD1-CG2 3.87Å; F60-V91 HydrophobicContact CD2-CG1 3.36Å; F60-V91 HydrophobicContact CD2-CG2 4.45Å; F60-V91 HydrophobicContact CE1-CG1 4.45Å; F60-V91 HydrophobicContact CE2-CG1 3.71Å; F60-V91 HydrophobicContact CG-CB 4.4Å; F60-V91 HydrophobicContact CG-CG1 3.6Å; F60-V91 HydrophobicContact CG-CG2 3.83Å; F60-V91 HydrophobicContact CZ-CG1 4.26Å; F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.14Å
61D98.6Very high97.4Very high20 Ų2047.6 Ų47.611%0.10725%0.254CS..EExtended strand (participates in β ladder)trans-137.6122.1174-163.6-28.9000109.1R45 R59 D63 A64R45-D61 IonicContact CZ-OD1 3.87Å; R45-D61 IonicContact CZ-OD2 3.75Å; R45-D61 IonicContact NE-OD1 3.26Å; R45-D61 PolarHBondContact NE-OD1 3.41Å; R45-D61 VanDerWaalsContact NE-OD1 3.09Å; R45-D61 IonicContact NE-OD2 3.76Å; R45-D61 IonicContact NH2-OD1 3.61Å; R45-D61 IonicContact NH2-OD2 2.73Å; R45-D61 PolarHBondContact NH2-OD2 3.14Å; R59-D61 IonicContact NH2-OD2 2.72Å; R59-D61 PolarHBondContact NH2-OD2 2.85Å; D61-D63 PolarHBondContact O-N 2.96Å; D61-D63 PolarHBondContact OD1-N 3.42Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å; D61-A64 HydrophobicContact CB-CB 4.16Å; D61-A64 WeakPolarHBondContact O-CB 3.35Å; D61-A64 PolarHBondContact O-N 2.67Å; D61-A64 VanDerWaalsContact O-N 3.11Å
62S98.2Very high97.4Very high16 Ų1650 Ų5011%0.11226%0.263CS..THydrogen-bonded Turntrans-65.3-22.9-179.365.60000113.2R45 F46 A64 Q67R45-S62 WeakPolarHBondContact CA-OG 3.41Å; F46-S62 PolarHBondContact N-OG 2.94Å; F46-S62 PolarHBondContact O-N 3.08Å; F46-S62 PolarHBondContact O-OG 3.12Å; S62-A64 VanDerWaalsContact C-N 3.35Å; S62-Q67 PolarHBondContact O-NE2 3.5Å
63D97.6Very high97.3Very high76 Ų7650.2 Ų50.241%0.40627%0.265SS..THydrogen-bonded Turntrans-87.2-6.1178.4-74.3-0.2000112.2R38 R45 D61R38-D63 IonicContact CZ-OD1 3.48Å; R38-D63 IonicContact CZ-OD2 3.76Å; R38-D63 IonicContact NH1-OD1 2.83Å; R38-D63 PolarHBondContact NH1-OD1 3.3Å; R38-D63 IonicContact NH1-OD2 3.71Å; R38-D63 PolarHBondContact NH1-OD2 2.94Å; R38-D63 IonicContact NH2-OD1 3.33Å; R38-D63 PolarHBondContact NH2-OD1 3.39Å; R38-D63 IonicContact NH2-OD2 3.8Å; R45-D63 WeakPolarHBondContact CD-OD2 3.42Å; R45-D63 IonicContact NE-OD2 2.99Å; D61-D63 PolarHBondContact O-N 2.96Å; D61-D63 PolarHBondContact OD1-N 3.42Å; D61-D63 VanDerWaalsContact OD1-N 3.15Å
64A97.4Very high97.3Very high30 Ų3053.8 Ų53.825%0.24829%0.289CS..SBendtrans-71.8145.3174.300000111.3D61 S62 S66 Q67D61-A64 HydrophobicContact CB-CB 4.16Å; D61-A64 WeakPolarHBondContact O-CB 3.35Å; D61-A64 PolarHBondContact O-N 2.67Å; D61-A64 VanDerWaalsContact O-N 3.11Å; S62-A64 VanDerWaalsContact C-N 3.35Å; A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 3.18Å; A64-Q67 WeakPolarHBondContact O-CG 3.07Å; A64-Q67 PolarHBondContact O-N 3.18Å
65A96.6Very high97.4Very high113 Ų11351.5 Ų51.593%0.93428%0.276SS*.SBendtrans-62.9-34.9-178.700000113.6
66S93.8Very high97.5Very high54 Ų5450.4 Ų50.438%0.37827%0.269SS..SBendtrans-72.9-32.6179.260.70000112.3A64 R68 E70A64-S66 VanDerWaalsContact C-N 3.31Å; A64-S66 PolarHBondContact O-N 3.18Å; S66-R68 WeakPolarHBondContact O-CG 3.3Å; S66-R68 PolarHBondContact O-N 3.06Å; S66-E70 PolarHBondContact OG-OE1 3.44Å
67Q96.4Very high97.4Very high85 Ų8554 Ų5440%0.39729%0.286SS..  trans40.250.9-168.2-59-173.4-21.500111.8F60 S62 A64 K92F60-Q67 VanDerWaalsContact CE2-C 3.5Å; F60-Q67 HydrophobicContact CE2-CB 4.35Å; F60-Q67 WeakPolarHBondContact CE2-O 3.48Å; F60-Q67 HydrophobicContact CZ-CB 4.44Å; S62-Q67 PolarHBondContact O-NE2 3.5Å; A64-Q67 WeakPolarHBondContact O-CG 3.07Å; A64-Q67 PolarHBondContact O-N 3.18Å; Q67-K92 WeakPolarHBondContact O-CE 3.31Å; Q67-K92 PolarHBondContact O-NZ 3.15Å; Q67-K92 VanDerWaalsContact O-NZ 3.13Å
68R97.9Very high97.3Very high155 Ų15559.7 Ų59.759%0.58531%0.313SS*.SBendtrans-122156.1177.9-77.5178.1177.6-178-3.1110.3F60 S66 T88F60-R68 WeakPolarHBondContact CD2-O 3.5Å; S66-R68 WeakPolarHBondContact O-CG 3.3Å; S66-R68 PolarHBondContact O-N 3.06Å; R68-T88 HydrophobicContact CG-CG2 4.22Å
69M98.3Very high97.3Very high10 Ų1060.2 Ų60.25%0.04932%0.315CS..  trans-69.5128.3166.8-17262.275.900108.3M58 F60 W84 E87 T88 V91M58-M69 HydrophobicContact CB-CG 4.22Å; M58-M69 HydrophobicContact CB-SD 3.83Å; M58-M69 HydrophobicContact CG-SD 4.01Å; M58-M69 HydrophobicContact SD-CE 3.72Å; M58-M69 HydrophobicContact SD-CG 4.06Å; M58-M69 HydrophobicContact SD-SD 3.61Å; M58-M69 VanDerWaalsContact SD-SD 3.61Å; F60-M69 HydrophobicContact CB-CE 3.97Å; F60-M69 HydrophobicContact CB-SD 3.93Å; M69-W84 HydrophobicContact CB-CE3 4.21Å; M69-W84 HydrophobicContact CG-CE3 4.04Å; M69-W84 HydrophobicContact CG-CZ3 3.89Å; M69-E87 HydrophobicContact CB-CB 4.17Å; M69-E87 HydrophobicContact CG-CB 4.08Å; M69-T88 PolarHBondContact N-OG1 3.23Å; M69-V91 HydrophobicContact CE-CB 3.87Å; M69-V91 HydrophobicContact CE-CG1 4.02Å; M69-V91 HydrophobicContact CE-CG2 3.98Å
70E98.1Very high97.2Very high62 Ų6257.9 Ų57.929%0.2932%0.317SS..EExtended strand (participates in β ladder)trans-116138.1-174.4-66.1173.616800110.6M58 R59 S66 R72M58-E70 VanDerWaalsContact CA-O 3.3Å; M58-E70 WeakPolarHBondContact CA-O 3.34Å; R59-E70 PolarHBondContact N-O 3.43Å; R59-E70 PolarHBondContact O-N 2.96Å; S66-E70 PolarHBondContact OG-OE1 3.44Å; E70-R72 IonicContact OE2-CZ 2.76Å; E70-R72 IonicContact OE2-NH2 3.57Å; E70-R72 PolarHBondContact OE2-NH2 3.37Å
71P98.2Very high97.1Very high50 Ų5062.6 Ų62.633%0.32535%0.347SS..EExtended strand (participates in β ladder)trans-65.8146.3173.128-33.8000111.1I76 E77 W84P71-I76 HydrophobicContact CB-CG2 3.69Å; P71-E77 HydrophobicContact CB-CG 3.83Å; P71-E77 HydrophobicContact CG-CG 4.07Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.82Å; P71-W84 HydrophobicContact CB-CZ3 4.49Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.33Å
72R97.6Very high97.1Very high120 Ų12070 Ų7045%0.45338%0.382SS..  trans-129.21.7175-60-64.7169.8177.8-0.9113.5Q56 F57 R59 E70Q56-R72 HydrophobicContact CG-CB 4.19Å; Q56-R72 HydrophobicContact CG-CG 4.44Å; F57-R72 PolarHBondContact O-N 2.88Å; R59-R72 HydrophobicContact CB-CG 3.84Å; E70-R72 IonicContact OE2-CZ 2.76Å; E70-R72 IonicContact OE2-NH2 3.57Å; E70-R72 PolarHBondContact OE2-NH2 3.37Å
73A96.4Very high97.1Very high6 Ų670.2 Ų70.25%0.0538%0.38CS..SBendtrans-139144.1173.300000110.7F57 W75 I76F57-A73 HydrophobicContact CB-CB 4.14Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4Å; A73-W75 PolarHBondContact O-N 2.69Å; A73-I76 WeakPolarHBondContact O-CG2 3.3Å; A73-I76 PolarHBondContact O-N 2.79Å
74P96.6Very high97.1Very high105 Ų10568.3 Ų68.368%0.68237%0.367SS*.G310 helixtrans-58.4-37.9-177.6-26.735.1000113.6I76 E77P74-I76 PolarHBondContact O-N 2.9Å; P74-E77 WeakPolarHBondContact O-CB 3.46Å; P74-E77 PolarHBondContact O-N 3.38Å; P74-E77 VanDerWaalsContact O-N 3.1Å
75W96.8Very high97.2Very high18 Ų1870.9 Ų70.97%0.06838%0.377CS..G310 helixtrans-69.4-13.9-176.354.4-105.6000114.4V52 F57 A73 Q78 Y195 N198 L203V52-W75 HydrophobicContact CB-CH2 4.49Å; V52-W75 HydrophobicContact CG2-CH2 3.96Å; F57-W75 HydrophobicContact CB-CH2 3.15Å; F57-W75 HydrophobicContact CB-CZ2 3.32Å; F57-W75 HydrophobicContact CB-CZ3 4.01Å; F57-W75 HydrophobicContact CD1-CH2 4.08Å; F57-W75 AromaticContact CD2-CH2 3.75Å; F57-W75 HydrophobicContact CD2-CH2 3.75Å; F57-W75 HydrophobicContact CD2-CZ3 4.06Å; F57-W75 AromaticContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CH2 3.44Å; F57-W75 VanDerWaalsContact CG-CH2 3.44Å; F57-W75 HydrophobicContact CG-CZ2 4.09Å; F57-W75 HydrophobicContact CG-CZ3 4.21Å; A73-W75 VanDerWaalsContact C-N 3.28Å; A73-W75 HydrophobicContact CB-CD2 4.16Å; A73-W75 HydrophobicContact CB-CG 4.34Å; A73-W75 HydrophobicContact CB-CZ2 4Å; A73-W75 PolarHBondContact O-N 2.69Å; W75-Q78 WeakPolarHBondContact O-CG 3.23Å; W75-Q78 PolarHBondContact O-NE2 2.96Å; W75-Y195 HydrophobicContact CH2-CG 4.28Å; W75-Y195 AromaticContact CZ3-CD1 3.87Å; W75-Y195 HydrophobicContact CZ3-CD1 3.87Å; W75-Y195 HydrophobicContact CZ3-CD2 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.76Å; W75-Y195 HydrophobicContact CZ3-CG 3.76Å; W75-N198 WeakPolarHBondContact CB-O 3.29Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.26Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å
76I97.9Very high97.2Very high0 Ų066.2 Ų66.20%034%0.339CS..G310 helixtrans-91.1-17.7173.8-16372.1000111.9F57 P71 A73 P74 Q78 E79 Y83 W84 Y195F57-I76 HydrophobicContact CD2-CB 4.41Å; F57-I76 HydrophobicContact CD2-CD1 3.97Å; F57-I76 HydrophobicContact CD2-CG1 4Å; F57-I76 HydrophobicContact CE2-CD1 4.25Å; F57-I76 VanDerWaalsContact O-CG2 3.26Å; F57-I76 WeakPolarHBondContact O-CG2 3.08Å; P71-I76 HydrophobicContact CB-CG2 3.69Å; A73-I76 WeakPolarHBondContact O-CG2 3.3Å; A73-I76 PolarHBondContact O-N 2.79Å; P74-I76 PolarHBondContact O-N 2.9Å; I76-Q78 PolarHBondContact O-N 2.92Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.17Å; I76-E79 WeakPolarHBondContact O-CB 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.36Å; I76-E79 PolarHBondContact O-N 3.03Å; I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.22Å; I76-W84 HydrophobicContact CB-CH2 4.41Å; I76-W84 HydrophobicContact CB-CZ2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.71Å; I76-W84 HydrophobicContact CG1-CZ2 3.87Å; I76-W84 HydrophobicContact CG2-CH2 3.92Å; I76-W84 HydrophobicContact CG2-CZ2 4.2Å; I76-W84 WeakPolarHBondContact O-CZ2 3.49Å; I76-Y195 HydrophobicContact CD1-CD1 3.74Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å
77E96.5Very high97.5Very high127 Ų12764.3 Ų64.359%0.59332%0.324SS*.THydrogen-bonded Turntrans-64.8-22-177-64.6-178.5-174.600113.2P71 P74 E79P71-E77 HydrophobicContact CB-CG 3.83Å; P71-E77 HydrophobicContact CG-CG 4.07Å; P74-E77 WeakPolarHBondContact O-CB 3.46Å; P74-E77 PolarHBondContact O-N 3.38Å; P74-E77 VanDerWaalsContact O-N 3.1Å; E77-E79 PolarHBondContact O-N 2.96Å
78Q95.6Very high97.6Very high119 Ų11960.9 Ų60.956%0.55631%0.309SS*.THydrogen-bonded Turntrans-69.1-15.1174.167.3-174.3-36.400114.2W75 I76 N198W75-Q78 WeakPolarHBondContact O-CG 3.23Å; W75-Q78 PolarHBondContact O-NE2 2.96Å; I76-Q78 PolarHBondContact O-N 2.92Å; I76-Q78 VanDerWaalsContact O-N 3.16Å; Q78-N198 PolarHBondContact NE2-ND2 3.49Å
79E97.5Very high97.6Very high13 Ų1361.6 Ų61.66%0.06131%0.312CS..SBendtrans-66.1137.1176.5-66.2-62.3164.900111I76 E77 Y83 W84 R194 N198I76-E79 HydrophobicContact CD1-CG 3.66Å; I76-E79 HydrophobicContact CG1-CG 4.17Å; I76-E79 WeakPolarHBondContact O-CB 3.29Å; I76-E79 WeakPolarHBondContact O-CG 3.36Å; I76-E79 PolarHBondContact O-N 3.03Å; E77-E79 PolarHBondContact O-N 2.96Å; E79-Y83 HydrophobicContact CB-CD1 3.44Å; E79-Y83 VanDerWaalsContact CB-CD1 3.44Å; E79-Y83 HydrophobicContact CB-CE1 4.01Å; E79-Y83 HydrophobicContact CB-CG 3.77Å; E79-Y83 HydrophobicContact CG-CD1 3.95Å; E79-Y83 HydrophobicContact CG-CE1 4.1Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; E79-W84 PolarHBondContact O-NE1 2.98Å; E79-R194 IonicContact OE1-CZ 2.73Å; E79-R194 IonicContact OE1-NE 3.03Å; E79-R194 PolarHBondContact OE1-NE 2.97Å; E79-R194 IonicContact OE1-NH2 3.42Å; E79-R194 PolarHBondContact OE1-NH2 3.19Å; E79-R194 VanDerWaalsContact OE1-NH2 3.17Å; E79-R194 IonicContact OE2-CZ 3.35Å; E79-R194 IonicContact OE2-NE 3.26Å; E79-R194 IonicContact OE2-NH2 3.35Å; E79-R194 PolarHBondContact OE2-NH2 3.25Å; E79-N198 PolarHBondContact OE1-ND2 2.77Å
80G96.9Very high97.5Very high33 Ų3366.2 Ų66.234%0.3433%0.332SS..  trans-72.2171.2-173.500000114.4E82 Y83 W84G80-E82 PolarHBondContact O-N 2.95Å; G80-Y83 WeakPolarHBondContact O-CB 3.49Å; G80-Y83 PolarHBondContact O-N 2.87Å; G80-Y83 VanDerWaalsContact O-N 3.1Å; G80-W84 VanDerWaalsContact O-CD1 3.29Å; G80-W84 PolarHBondContact O-N 3.35Å
81P97.2Very high97.5Very high102 Ų10263.3 Ų63.366%0.66232%0.318SS*.Hα-helixtrans-56.3-37.3-179.4-22.932.7000113.4Y83 W84 D85P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.61Å; P81-W84 PolarHBondContact O-N 2.96Å; P81-D85 WeakPolarHBondContact O-CB 3.41Å; P81-D85 PolarHBondContact O-N 3.27Å
82E97.9Very high97.5Very high177 Ų17764.9 Ų64.983%0.82732%0.32SS*.Hα-helixtrans-60.9-36.7180-63.5-175.7175.400112.6G80 G86G80-E82 PolarHBondContact O-N 2.95Å; E82-G86 PolarHBondContact O-N 2.89Å
83Y97.9Very high97.5Very high19 Ų1961.8 Ų61.88%0.07532%0.32CS..Hα-helixtrans-64.5-52.5174.8170.2-94.6000110.3M58 I76 E79 G80 P81 D85 G86 E87 W191 Y195M58-Y83 WeakPolarHBondContact CE-OH 3.41Å; I76-Y83 HydrophobicContact CD1-CE1 4.21Å; I76-Y83 HydrophobicContact CG1-CE1 4.22Å; E79-Y83 HydrophobicContact CB-CD1 3.44Å; E79-Y83 VanDerWaalsContact CB-CD1 3.44Å; E79-Y83 HydrophobicContact CB-CE1 4.01Å; E79-Y83 HydrophobicContact CB-CG 3.77Å; E79-Y83 HydrophobicContact CG-CD1 3.95Å; E79-Y83 HydrophobicContact CG-CE1 4.1Å; E79-Y83 HydrophobicContact CG-CG 4.16Å; G80-Y83 WeakPolarHBondContact O-CB 3.49Å; G80-Y83 PolarHBondContact O-N 2.87Å; G80-Y83 VanDerWaalsContact O-N 3.1Å; P81-Y83 VanDerWaalsContact C-N 3.27Å; P81-Y83 PolarHBondContact O-N 2.61Å; Y83-D85 PolarHBondContact O-N 3.12Å; Y83-G86 WeakPolarHBondContact O-CA 3.48Å; Y83-G86 PolarHBondContact O-N 2.95Å; Y83-G86 VanDerWaalsContact O-N 3.16Å; Y83-E87 HydrophobicContact CD1-CG 4.45Å; Y83-E87 HydrophobicContact CD2-CG 4.26Å; Y83-E87 HydrophobicContact CE1-CG 4.07Å; Y83-E87 HydrophobicContact CE2-CG 3.85Å; Y83-E87 WeakPolarHBondContact O-CG 3.32Å; Y83-E87 PolarHBondContact O-N 2.76Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CE3 4.33Å; Y83-W191 AromaticContact CE2-CH2 3.77Å; Y83-W191 HydrophobicContact CE2-CH2 3.77Å; Y83-W191 HydrophobicContact CE2-CZ2 4.36Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.31Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y195 PolarHBondContact OH-OH 2.8Å
84W98.3Very high97.5Very high37 Ų3763.8 Ų63.814%0.1433%0.328CS..Hα-helixtrans-64.5-39-178-65.9111.6000113.2M69 P71 I76 E79 G80 P81 T88M69-W84 HydrophobicContact CB-CE3 4.21Å; M69-W84 HydrophobicContact CG-CE3 4.04Å; M69-W84 HydrophobicContact CG-CZ3 3.89Å; P71-W84 HydrophobicContact CB-CH2 3.6Å; P71-W84 HydrophobicContact CB-CZ2 3.82Å; P71-W84 HydrophobicContact CB-CZ3 4.49Å; P71-W84 HydrophobicContact CG-CH2 4.3Å; P71-W84 HydrophobicContact CG-CZ2 4.33Å; I76-W84 HydrophobicContact CB-CH2 4.41Å; I76-W84 HydrophobicContact CB-CZ2 4.49Å; I76-W84 HydrophobicContact CG1-CH2 3.71Å; I76-W84 HydrophobicContact CG1-CZ2 3.87Å; I76-W84 HydrophobicContact CG2-CH2 3.92Å; I76-W84 HydrophobicContact CG2-CZ2 4.2Å; I76-W84 WeakPolarHBondContact O-CZ2 3.49Å; E79-W84 PolarHBondContact O-NE1 2.98Å; G80-W84 VanDerWaalsContact O-CD1 3.29Å; G80-W84 PolarHBondContact O-N 3.35Å; P81-W84 PolarHBondContact O-N 2.96Å; W84-T88 WeakPolarHBondContact O-CB 3.25Å; W84-T88 PolarHBondContact O-N 3.07Å; W84-T88 PolarHBondContact O-OG1 2.87Å
85D98.2Very high97.6Very high84 Ų8459.6 Ų59.645%0.44930%0.302SS..Hα-helixtrans-67.2-39.3174.3-76.7-18.9000111.3P81 Y83 R89P81-D85 WeakPolarHBondContact O-CB 3.41Å; P81-D85 PolarHBondContact O-N 3.27Å; Y83-D85 PolarHBondContact O-N 3.12Å; D85-R89 WeakPolarHBondContact O-CB 3.42Å; D85-R89 PolarHBondContact O-N 3.28Å
86G98.2Very high97.6Very high14 Ų1463.9 Ų63.914%0.14432%0.322CS..Hα-helixtrans-60.5-53173.800000112.5E82 Y83 T88 R89 K90E82-G86 PolarHBondContact O-N 2.89Å; Y83-G86 WeakPolarHBondContact O-CA 3.48Å; Y83-G86 PolarHBondContact O-N 2.95Å; Y83-G86 VanDerWaalsContact O-N 3.16Å; G86-T88 PolarHBondContact O-N 3.3Å; G86-R89 PolarHBondContact O-N 3.34Å; G86-K90 WeakPolarHBondContact O-CG 3.48Å; G86-K90 PolarHBondContact O-N 3.1Å
87E98.2Very high97.6Very high14 Ų1467.1 Ų67.17%0.06534%0.342CS..Hα-helixtrans-64-39.8178.5-67.5-48.1118.600111.8M69 Y83 R89 K90 V91M69-E87 HydrophobicContact CB-CB 4.17Å; M69-E87 HydrophobicContact CG-CB 4.08Å; Y83-E87 HydrophobicContact CD1-CG 4.45Å; Y83-E87 HydrophobicContact CD2-CG 4.26Å; Y83-E87 HydrophobicContact CE1-CG 4.07Å; Y83-E87 HydrophobicContact CE2-CG 3.85Å; Y83-E87 WeakPolarHBondContact O-CG 3.32Å; Y83-E87 PolarHBondContact O-N 2.76Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 3.25Å; E87-K90 PolarHBondContact O-N 3.36Å; E87-K90 IonicContact OE1-NZ 3.7Å; E87-K90 PolarHBondContact OE1-NZ 2.95Å; E87-V91 WeakPolarHBondContact O-CB 3.34Å; E87-V91 WeakPolarHBondContact O-CG1 3.19Å; E87-V91 PolarHBondContact O-N 3Å
88T98.5Very high97.6Very high13 Ų1361.1 Ų61.18%0.0831%0.314CS..Hα-helixtrans-61.1-41.5173.9-62.80000111.7R68 M69 W84 G86 V91 K92R68-T88 HydrophobicContact CG-CG2 4.22Å; M69-T88 PolarHBondContact N-OG1 3.23Å; W84-T88 WeakPolarHBondContact O-CB 3.25Å; W84-T88 PolarHBondContact O-N 3.07Å; W84-T88 PolarHBondContact O-OG1 2.87Å; G86-T88 PolarHBondContact O-N 3.3Å; T88-V91 WeakPolarHBondContact O-CG1 3.46Å; T88-K92 HydrophobicContact CG2-CD 4.28Å; T88-K92 WeakPolarHBondContact O-CB 3.24Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.34Å; T88-K92 PolarHBondContact O-N 2.9Å; T88-K92 VanDerWaalsContact O-N 3.11Å
89R98.3Very high97.7Very high171 Ų17160.7 Ų60.765%0.64531%0.308SS*.Hα-helixtrans-66.5-45.3177.1-168.5-175.1-57.3108.53.4111.4D85 G86 E87 K92 A93D85-R89 WeakPolarHBondContact O-CB 3.42Å; D85-R89 PolarHBondContact O-N 3.28Å; G86-R89 PolarHBondContact O-N 3.34Å; E87-R89 VanDerWaalsContact C-N 3.33Å; E87-R89 PolarHBondContact O-N 3.25Å; R89-K92 PolarHBondContact O-N 3.06Å; R89-A93 PolarHBondContact O-N 2.8Å
90K97.3Very high97.7Very high106 Ų10664.5 Ų64.546%0.46133%0.331SS..Hα-helixtrans-60.2-46.1178.4-71.6173.2-168.8167.30111.6G86 E87 A93 H94G86-K90 WeakPolarHBondContact O-CG 3.48Å; G86-K90 PolarHBondContact O-N 3.1Å; E87-K90 PolarHBondContact O-N 3.36Å; E87-K90 IonicContact OE1-NZ 3.7Å; E87-K90 PolarHBondContact OE1-NZ 2.95Å; K90-A93 PolarHBondContact O-N 2.94Å; K90-H94 PolarHBondContact O-N 3.11Å; K90-H94 PolarHBondContact O-ND1 3.23Å
91V97.6Very high97.7Very high1 Ų165 Ų651%0.00633%0.326CS..Hα-helixtrans-70.1-34.9-177.777.40000111.9F46 A48 F60 M69 E87 T88 H94 S95F46-V91 HydrophobicContact CD1-CG2 4.38Å; F46-V91 HydrophobicContact CE1-CG2 3.5Å; F46-V91 VanDerWaalsContact CE1-CG2 3.5Å; F46-V91 HydrophobicContact CZ-CG2 4.26Å; A48-V91 HydrophobicContact CB-CG2 3.59Å; F60-V91 HydrophobicContact CB-CG1 4.08Å; F60-V91 HydrophobicContact CB-CG2 3.91Å; F60-V91 HydrophobicContact CD1-CG1 4.14Å; F60-V91 HydrophobicContact CD1-CG2 3.87Å; F60-V91 HydrophobicContact CD2-CG1 3.36Å; F60-V91 HydrophobicContact CD2-CG2 4.45Å; F60-V91 HydrophobicContact CE1-CG1 4.45Å; F60-V91 HydrophobicContact CE2-CG1 3.71Å; F60-V91 HydrophobicContact CG-CB 4.4Å; F60-V91 HydrophobicContact CG-CG1 3.6Å; F60-V91 HydrophobicContact CG-CG2 3.83Å; F60-V91 HydrophobicContact CZ-CG1 4.26Å; M69-V91 HydrophobicContact CE-CB 3.87Å; M69-V91 HydrophobicContact CE-CG1 4.02Å; M69-V91 HydrophobicContact CE-CG2 3.98Å; E87-V91 WeakPolarHBondContact O-CB 3.34Å; E87-V91 WeakPolarHBondContact O-CG1 3.19Å; E87-V91 PolarHBondContact O-N 3Å; T88-V91 WeakPolarHBondContact O-CG1 3.46Å; V91-H94 PolarHBondContact O-N 2.81Å; V91-S95 WeakPolarHBondContact O-CB 3.4Å; V91-S95 PolarHBondContact O-N 2.84Å
92K98.1Very high97.8Very high84 Ų8460.6 Ų60.637%0.36530%0.297SS..Hα-helixtrans-65.3-40.3172.3-76.1-175.6-179.9-173.60112.3F60 Q67 T88 R89 S95 Q96F60-K92 HydrophobicContact CE2-CG 4.23Å; F60-K92 HydrophobicContact CZ-CG 4.14Å; Q67-K92 WeakPolarHBondContact O-CE 3.31Å; Q67-K92 PolarHBondContact O-NZ 3.15Å; Q67-K92 VanDerWaalsContact O-NZ 3.13Å; T88-K92 HydrophobicContact CG2-CD 4.28Å; T88-K92 WeakPolarHBondContact O-CB 3.24Å; T88-K92 VanDerWaalsContact O-CG 3.32Å; T88-K92 WeakPolarHBondContact O-CG 3.34Å; T88-K92 PolarHBondContact O-N 2.9Å; T88-K92 VanDerWaalsContact O-N 3.11Å; R89-K92 PolarHBondContact O-N 3.06Å; K92-S95 WeakPolarHBondContact O-CB 3.35Å; K92-S95 PolarHBondContact O-N 2.86Å; K92-Q96 PolarHBondContact O-N 3.2Å
93A97.9Very high97.7Very high55 Ų5553.8 Ų53.846%0.45528%0.275SS..Hα-helixtrans-61.3-45.5173.500000111.2R89 K90 S95 Q96 T97R89-A93 PolarHBondContact O-N 2.8Å; K90-A93 PolarHBondContact O-N 2.94Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 2.88Å; A93-Q96 PolarHBondContact O-N 2.89Å; A93-Q96 VanDerWaalsContact O-N 3.16Å; A93-T97 PolarHBondContact O-N 2.89Å; A93-T97 PolarHBondContact O-OG1 2.67Å
94H96.9Very high97.7Very high47 Ų4755.3 Ų55.322%0.21829%0.286CS..Hα-helixtrans-62.6-37.1175.7-78.196000113.6Y33 F46 K90 V91 Q96 T97 H98 R121Y33-H94 HydrophobicContact CD2-CB 4.37Å; Y33-H94 HydrophobicContact CE2-CB 4.19Å; Y33-H94 AromaticContact CE2-CG 3.89Å; F46-H94 HydrophobicContact CZ-CB 4.16Å; K90-H94 PolarHBondContact O-N 3.11Å; K90-H94 PolarHBondContact O-ND1 3.23Å; V91-H94 PolarHBondContact O-N 2.81Å; H94-Q96 VanDerWaalsContact C-N 3.3Å; H94-Q96 PolarHBondContact O-N 2.95Å; H94-T97 PolarHBondContact O-N 3.25Å; H94-H98 PolarHBondContact O-CD2 2.87Å; H94-H98 VanDerWaalsContact O-CD2 3.3Å; H94-H98 PolarHBondContact O-N 2.87Å; H94-R121 PolarHBondContact CD2-NH1 3.31Å; H94-R121 PolarHBondContact NE2-NH1 3.03Å
95S97.5Very high97.6Very high18 Ų1854 Ų5413%0.12628%0.282CS..Hα-helixtrans-58.6-41.9173.3174.70000111.7F46 V91 K92 A93 R99F46-S95 WeakPolarHBondContact CB-OG 3.23Å; V91-S95 WeakPolarHBondContact O-CB 3.4Å; V91-S95 PolarHBondContact O-N 2.84Å; K92-S95 WeakPolarHBondContact O-CB 3.35Å; K92-S95 PolarHBondContact O-N 2.86Å; A93-S95 VanDerWaalsContact C-N 3.34Å; A93-S95 PolarHBondContact O-N 2.88Å; S95-R99 PolarHBondContact O-N 3.01Å; S95-R99 VanDerWaalsContact O-N 3.07Å
96Q97.5Very high97.6Very high107 Ų10753.4 Ų53.450%0.527%0.273SS..Hα-helixtrans-68.4-40.1174.3-61.1-51.8-49.200112.6K92 A93 H94 R99 V100K92-Q96 PolarHBondContact O-N 3.2Å; A93-Q96 PolarHBondContact O-N 2.89Å; A93-Q96 VanDerWaalsContact O-N 3.16Å; H94-Q96 VanDerWaalsContact C-N 3.3Å; H94-Q96 PolarHBondContact O-N 2.95Å; Q96-R99 WeakPolarHBondContact O-CB 3.46Å; Q96-R99 PolarHBondContact O-N 3.19Å; Q96-V100 PolarHBondContact O-N 2.93Å; Q96-V100 VanDerWaalsContact O-N 3.15Å
97T97.1Very high97.6Very high69 Ų6954.8 Ų54.842%0.42329%0.287SS..Hα-helixtrans-59.4-49.2174-55.30000111.2A93 H94 R99 V100 D101A93-T97 PolarHBondContact O-N 2.89Å; A93-T97 PolarHBondContact O-OG1 2.67Å; H94-T97 PolarHBondContact O-N 3.25Å; T97-R99 VanDerWaalsContact C-N 3.27Å; T97-R99 PolarHBondContact O-N 3.3Å; T97-V100 WeakPolarHBondContact O-CB 2.94Å; T97-V100 PolarHBondContact O-N 2.88Å; T97-D101 VanDerWaalsContact O-CG 3.25Å; T97-D101 PolarHBondContact O-N 3.28Å
98H97.3Very high97.5Very high0 Ų057.1 Ų57.10%030%0.296CS..Hα-helixtrans-62.2-33.5178.8-82.6-133.7000112.6F46 H94 D101 L102F46-H98 HydrophobicContact CD2-CB 4.11Å; F46-H98 HydrophobicContact CE2-CB 4.16Å; F46-H98 AromaticContact CE2-CG 3.73Å; F46-H98 AromaticContact CE2-ND1 3.72Å; H94-H98 PolarHBondContact O-CD2 2.87Å; H94-H98 VanDerWaalsContact O-CD2 3.3Å; H94-H98 PolarHBondContact O-N 2.87Å; H98-D101 PolarHBondContact O-N 3.34Å; H98-L102 WeakPolarHBondContact O-CB 3.03Å; H98-L102 WeakPolarHBondContact O-CG 3.36Å; H98-L102 PolarHBondContact O-N 2.96Å
99R97.3Very high97.5Very high110 Ų11059.8 Ų59.842%0.41531%0.305SS..Hα-helixtrans-60.8-45.2172.2174.3-168.8168153.718.3111.4E43 P44 S95 Q96 T97 G103E43-R99 VanDerWaalsContact CD-NH2 3.33Å; E43-R99 IonicContact OE1-CZ 3.57Å; E43-R99 IonicContact OE1-NH1 3.78Å; E43-R99 PolarHBondContact OE1-NH1 3Å; E43-R99 IonicContact OE1-NH2 3.69Å; E43-R99 PolarHBondContact OE1-NH2 2.03Å; E43-R99 WeakPolarHBondContact OE2-CD 3.41Å; E43-R99 IonicContact OE2-CZ 3.87Å; E43-R99 IonicContact OE2-NE 3.96Å; E43-R99 PolarHBondContact OE2-NE 2.98Å; E43-R99 VanDerWaalsContact OE2-NE 3.15Å; E43-R99 IonicContact OE2-NH1 2.84Å; E43-R99 PolarHBondContact OE2-NH1 2.79Å; E43-R99 IonicContact OE2-NH2 2.82Å; E43-R99 PolarHBondContact OE2-NH2 2.81Å; P44-R99 HydrophobicContact CG-CG 4.35Å; S95-R99 PolarHBondContact O-N 3.01Å; S95-R99 VanDerWaalsContact O-N 3.07Å; Q96-R99 WeakPolarHBondContact O-CB 3.46Å; Q96-R99 PolarHBondContact O-N 3.19Å; T97-R99 VanDerWaalsContact C-N 3.27Å; T97-R99 PolarHBondContact O-N 3.3Å; R99-G103 PolarHBondContact O-N 2.8Å
100V97.4Very high97.4Very high93 Ų9359 Ų5956%0.56431%0.313SS*.Hα-helixtrans-67.1-40.3176.7175.90000110.8Q96 T97 L102 G103 T104Q96-V100 PolarHBondContact O-N 2.93Å; Q96-V100 VanDerWaalsContact O-N 3.15Å; T97-V100 WeakPolarHBondContact O-CB 2.94Å; T97-V100 PolarHBondContact O-N 2.88Å; V100-L102 PolarHBondContact O-N 3.28Å; V100-G103 PolarHBondContact O-N 2.75Å; V100-T104 WeakPolarHBondContact O-CB 3.25Å; V100-T104 PolarHBondContact O-N 2.94Å; V100-T104 PolarHBondContact O-OG1 2.91Å
101D97.5Very high97.4Very high44 Ų4456.9 Ų56.924%0.23531%0.305CS..Hα-helixtrans-62-43.7177.9-65.8-25.5000111.3T97 H98 G103 T104 L105T97-D101 VanDerWaalsContact O-CG 3.25Å; T97-D101 PolarHBondContact O-N 3.28Å; H98-D101 PolarHBondContact O-N 3.34Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.19Å; D101-T104 PolarHBondContact O-N 2.99Å; D101-T104 VanDerWaalsContact O-N 3.15Å; D101-L105 HydrophobicContact CB-CD1 4.46Å; D101-L105 WeakPolarHBondContact O-CB 3.14Å; D101-L105 VanDerWaalsContact O-CG 3.23Å; D101-L105 WeakPolarHBondContact O-CG 3.48Å; D101-L105 PolarHBondContact O-N 3.42Å
102L98Very high97.3Very high9 Ų960.6 Ų60.65%0.04733%0.332CS..Hα-helixtrans-55.4-44.1175.1-81.4164.1000112.1S35 P44 H98 V100 R106 H117 V119 Y142S35-L102 WeakPolarHBondContact OG-CD1 3.38Å; P44-L102 HydrophobicContact CB-CD1 3.6Å; P44-L102 HydrophobicContact CG-CD1 3.67Å; H98-L102 WeakPolarHBondContact O-CB 3.03Å; H98-L102 WeakPolarHBondContact O-CG 3.36Å; H98-L102 PolarHBondContact O-N 2.96Å; V100-L102 PolarHBondContact O-N 3.28Å; L102-R106 VanDerWaalsContact O-CB 3.27Å; L102-R106 WeakPolarHBondContact O-CB 3.19Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.13Å; L102-H117 HydrophobicContact CD2-CB 3.98Å; L102-H117 WeakPolarHBondContact CD2-O 3.5Å; L102-V119 HydrophobicContact CD2-CB 4.34Å; L102-V119 HydrophobicContact CD2-CG2 3.66Å; L102-V119 HydrophobicContact CG-CB 4.43Å; L102-V119 HydrophobicContact CG-CG2 3.84Å; L102-Y142 HydrophobicContact CD2-CE2 4.39Å
103G96.4Very high97.1Very high35 Ų3563 Ų6336%0.36134%0.344SS..Hα-helixtrans-68.5-40.3176.800000113R99 V100 D101 G107R99-G103 PolarHBondContact O-N 2.8Å; V100-G103 PolarHBondContact O-N 2.75Å; D101-G103 VanDerWaalsContact C-N 3.3Å; D101-G103 PolarHBondContact O-N 3.19Å; G103-G107 PolarHBondContact O-N 2.94Å
104T97.5Very high96.9Very high50 Ų5064.3 Ų64.331%0.30736%0.355SS..Hα-helixtrans-66.2-48.1179.6-59.60000111.5V100 D101 G107 Y108V100-T104 WeakPolarHBondContact O-CB 3.25Å; V100-T104 PolarHBondContact O-N 2.94Å; V100-T104 PolarHBondContact O-OG1 2.91Å; D101-T104 PolarHBondContact O-N 2.99Å; D101-T104 VanDerWaalsContact O-N 3.15Å; T104-G107 WeakPolarHBondContact O-CA 3.39Å; T104-G107 PolarHBondContact O-N 3.46Å; T104-G107 VanDerWaalsContact O-N 3.15Å; T104-Y108 HydrophobicContact CG2-CD1 4.37Å; T104-Y108 HydrophobicContact CG2-CD2 4.37Å; T104-Y108 HydrophobicContact CG2-CE1 3.81Å; T104-Y108 HydrophobicContact CG2-CE2 3.81Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.5Å; T104-Y108 PolarHBondContact O-N 2.94Å
105L98Very high96.8Very high10 Ų1063.3 Ų63.35%0.05236%0.357CS..Hα-helixtrans-64.2-44.7-180-68.7167.2000110.9D101 G107 Y108 Y109 V119 Y142 Y147D101-L105 HydrophobicContact CB-CD1 4.46Å; D101-L105 WeakPolarHBondContact O-CB 3.14Å; D101-L105 VanDerWaalsContact O-CG 3.23Å; D101-L105 WeakPolarHBondContact O-CG 3.48Å; D101-L105 PolarHBondContact O-N 3.42Å; L105-G107 PolarHBondContact O-N 3.44Å; L105-Y108 HydrophobicContact CD2-CD2 4.41Å; L105-Y108 PolarHBondContact O-N 3Å; L105-Y109 HydrophobicContact CD2-CE2 4.31Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 2.83Å; L105-V119 HydrophobicContact CD1-CG2 3.5Å; L105-V119 VanDerWaalsContact CD1-CG2 3.5Å; L105-Y142 HydrophobicContact CB-CD1 4.33Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.01Å; L105-Y142 HydrophobicContact CB-CE2 3.77Å; L105-Y142 HydrophobicContact CB-CG 4.36Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.98Å; L105-Y142 HydrophobicContact CD1-CG 4.01Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; L105-Y147 HydrophobicContact CD2-CD1 4.4Å; L105-Y147 HydrophobicContact CD2-CD2 4.07Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.4Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.4Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.42Å
106R97.3Very high96.8Very high72 Ų7266 Ų6627%0.27238%0.376SS..Hα-helixtrans-52.4-42.4172.8-175.6-170.268.2176.811.5111.6L102 N110 Q111 E113 Y142L102-R106 VanDerWaalsContact O-CB 3.27Å; L102-R106 WeakPolarHBondContact O-CB 3.19Å; L102-R106 PolarHBondContact O-N 3.02Å; L102-R106 VanDerWaalsContact O-N 3.13Å; R106-N110 PolarHBondContact O-N 3.32Å; R106-N110 VanDerWaalsContact O-N 3.14Å; R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.3Å; R106-Q111 PolarHBondContact O-N 3.36Å; R106-E113 IonicContact CZ-OE1 3.17Å; R106-E113 IonicContact NH1-OE1 2.78Å; R106-E113 PolarHBondContact NH1-OE1 3.26Å; R106-E113 IonicContact NH2-OE1 3.63Å; R106-E113 PolarHBondContact NH2-OE1 3.3Å; R106-Y142 PolarHBondContact N-OH 3.17Å
107G97.2Very high96.8Very high42 Ų4261.6 Ų61.643%0.43336%0.355SS..Hα-helixtrans-64.6-48.4175.100000113.1G103 T104 L105 Y109 N110G103-G107 PolarHBondContact O-N 2.94Å; T104-G107 WeakPolarHBondContact O-CA 3.39Å; T104-G107 PolarHBondContact O-N 3.46Å; T104-G107 VanDerWaalsContact O-N 3.15Å; L105-G107 PolarHBondContact O-N 3.44Å; G107-Y109 PolarHBondContact O-N 2.85Å; G107-N110 PolarHBondContact O-N 2.84Å; G107-N110 VanDerWaalsContact O-N 3.08Å
108Y97.7Very high96.9Very high64 Ų6460 Ų6025%0.25135%0.345SS..Hα-helixtrans-59.1-35.6178.6-68.9-8.4000113.1T104 L105 A163 T166 K170T104-Y108 HydrophobicContact CG2-CD1 4.37Å; T104-Y108 HydrophobicContact CG2-CD2 4.37Å; T104-Y108 HydrophobicContact CG2-CE1 3.81Å; T104-Y108 HydrophobicContact CG2-CE2 3.81Å; T104-Y108 VanDerWaalsContact CG2-CZ 3.5Å; T104-Y108 PolarHBondContact O-N 2.94Å; L105-Y108 HydrophobicContact CD2-CD2 4.41Å; L105-Y108 PolarHBondContact O-N 3Å; Y108-A163 HydrophobicContact CD2-CB 4.36Å; Y108-T166 HydrophobicContact CE1-CG2 4.21Å; Y108-T166 HydrophobicContact CE2-CG2 4.1Å; Y108-K170 PolarHBondContact OH-NZ 3.32Å
109Y97.8Very high97Very high68 Ų6860 Ų6027%0.26735%0.346SS..THydrogen-bonded Turntrans-91.54178.8-68.7-72.1000114L105 G107 Q111 Y142 Y147 D161 A163L105-Y109 HydrophobicContact CD2-CE2 4.31Å; L105-Y109 WeakPolarHBondContact O-CD2 3.4Å; L105-Y109 PolarHBondContact O-N 2.83Å; G107-Y109 PolarHBondContact O-N 2.85Å; Y109-Q111 PolarHBondContact O-N 2.62Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.79Å; Y109-Y142 HydrophobicContact CE2-CE1 3.79Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Y109-Y147 HydrophobicContact CE2-CD2 4.43Å; Y109-Y147 HydrophobicContact CE2-CE2 4.17Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.19Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.38Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.18Å; Y109-D161 PolarHBondContact OH-OD2 2.87Å; Y109-A163 HydrophobicContact CD1-CB 4.24Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å
110N96.9Very high97Very high154 Ų15458.5 Ų58.582%0.82434%0.343SS*.THydrogen-bonded Turntrans51.840.3-177.5-57.7-59.5000113.3R106 G107R106-N110 PolarHBondContact O-N 3.32Å; R106-N110 VanDerWaalsContact O-N 3.14Å; G107-N110 PolarHBondContact O-N 2.84Å; G107-N110 VanDerWaalsContact O-N 3.08Å
111Q97.4Very high97.1Very high62 Ų6255.2 Ų55.229%0.2932%0.321SS..  trans-88.7153-176.3-70.7166-35.200112.1R106 Y109 H117 Y142 D143R106-Q111 HydrophobicContact CG-CB 3.83Å; R106-Q111 WeakPolarHBondContact CG-O 3.3Å; R106-Q111 PolarHBondContact O-N 3.36Å; Y109-Q111 PolarHBondContact O-N 2.62Å; Q111-H117 PolarHBondContact NE2-CE1 2.96Å; Q111-H117 PolarHBondContact OE1-CE1 2.88Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.24Å; Q111-Y142 PolarHBondContact OE1-OH 2.83Å; Q111-D143 PolarHBondContact NE2-OD2 3.08Å
112S95.7Very high97.1Very high80 Ų8054.2 Ų54.256%0.55932%0.315SS*.  trans-69.1147.3-179.6174.80000112.6A114 G115S112-A114 PolarHBondContact O-N 3.25Å; S112-A114 PolarHBondContact OG-N 3.29Å; S112-G115 PolarHBondContact O-N 3.23Å
113E92.8Very high97.2Very high134 Ų13454.6 Ų54.663%0.62632%0.316SS*.THydrogen-bonded Turntrans-67.2-20.9174.9-54.1-153.2126.500113.9P39 R106 G115P39-E113 WeakPolarHBondContact CB-O 3.37Å; P39-E113 VanDerWaalsContact CG-O 3.25Å; P39-E113 WeakPolarHBondContact CG-O 3.4Å; R106-E113 IonicContact CZ-OE1 3.17Å; R106-E113 IonicContact NH1-OE1 2.78Å; R106-E113 PolarHBondContact NH1-OE1 3.26Å; R106-E113 IonicContact NH2-OE1 3.63Å; R106-E113 PolarHBondContact NH2-OE1 3.3Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.48Å
114A93.9Very high97.3Very high83 Ų8352.9 Ų52.969%0.68630%0.299SS*.THydrogen-bonded Turntrans-76.3-14.6177.900000112.9S112S112-A114 PolarHBondContact O-N 3.25Å; S112-A114 PolarHBondContact OG-N 3.29Å
115G94.4Very high97.3Very high25 Ų2550.5 Ų50.526%0.25828%0.284SS..SBendtrans-75.7134.6-179.600000113.1P39 S112 E113 H117P39-G115 WeakPolarHBondContact CG-O 3.22Å; S112-G115 PolarHBondContact O-N 3.23Å; E113-G115 VanDerWaalsContact C-N 3.26Å; E113-G115 PolarHBondContact O-N 3.48Å; G115-H117 PolarHBondContact O-CD2 3.28Å; G115-H117 VanDerWaalsContact O-CD2 3.23Å
116S97.6Very high97.3Very high75 Ų7551.1 Ų51.152%0.52429%0.287SS..  trans-80.5131.8164.7-178.10000108.9S37S37-S116 PolarHBondContact O-OG 3.42Å
117H98.4Very high97.3Very high15 Ų1547.7 Ų47.77%0.06927%0.274CS..  trans-130.6153.8-177.3-64.8-73.4000110.6V36 S37 L102 Q111 G115 Y142 D143V36-H117 WeakPolarHBondContact CA-O 3.31Å; S37-H117 PolarHBondContact N-O 2.88Å; S37-H117 PolarHBondContact OG-N 2.83Å; S37-H117 PolarHBondContact OG-O 2.96Å; L102-H117 HydrophobicContact CD2-CB 3.98Å; L102-H117 WeakPolarHBondContact CD2-O 3.5Å; Q111-H117 PolarHBondContact NE2-CE1 2.96Å; Q111-H117 PolarHBondContact OE1-CE1 2.88Å; Q111-H117 VanDerWaalsContact OE1-CE1 3.24Å; G115-H117 PolarHBondContact O-CD2 3.28Å; G115-H117 VanDerWaalsContact O-CD2 3.23Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.1Å; H117-Y142 VanDerWaalsContact CG-OH 3.22Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.74Å; H117-D143 WeakPolarHBondContact CA-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 2.69Å; H117-D143 IonicContact CG-OD1 2.71Å; H117-D143 IonicContact CG-OD2 3.41Å; H117-D143 IonicContact ND1-OD1 3.69Å; H117-D143 IonicContact ND1-OD2 3.57Å; H117-D143 PolarHBondContact ND1-OD2 2.65Å
118T98.7Very high97.1Very high35 Ų3546 Ų4622%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-125.2127.9-176.8-55.30000110.9T34 S35 V36 Q120 Y142 D143T34-T118 HydrophobicContact CG2-CG2 3.96Å; S35-T118 CarbonylContact O-C 3.58Å; S35-T118 VanDerWaalsContact O-CA 3.32Å; S35-T118 WeakPolarHBondContact O-CA 3.46Å; V36-T118 HydrophobicContact CG2-CG2 4.17Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.38Å; T118-Y142 VanDerWaalsContact O-CD2 3.23Å; T118-Y142 WeakPolarHBondContact O-CD2 3.22Å; T118-D143 PolarHBondContact N-OD1 2.89Å; T118-D143 PolarHBondContact O-N 3.4Å
119V98.6Very high96.7Very high1 Ų147 Ų471%0.00627%0.273CS..EExtended strand (participates in β ladder)trans-110.4124.4167.4172.90000108.5S35 L102 L105 Y140 Y142S35-V119 PolarHBondContact N-O 3.43Å; S35-V119 PolarHBondContact O-N 3.28Å; L102-V119 HydrophobicContact CD2-CB 4.34Å; L102-V119 HydrophobicContact CD2-CG2 3.66Å; L102-V119 HydrophobicContact CG-CB 4.43Å; L102-V119 HydrophobicContact CG-CG2 3.84Å; L105-V119 HydrophobicContact CD1-CG2 3.5Å; L105-V119 VanDerWaalsContact CD1-CG2 3.5Å; V119-Y140 HydrophobicContact CG1-CD1 4.07Å; V119-Y142 HydrophobicContact CG2-CD2 3.69Å; V119-Y142 HydrophobicContact CG2-CE2 4.02Å
120Q98.8Very high96.3Very high78 Ų7847.9 Ų47.936%0.36428%0.282SS..EExtended strand (participates in β ladder)trans-115.5144.4174.3-67.8171-78.300109.9Y33 T34 T118 Y140 A141Y33-Q120 CarbonylContact O-C 3.48Å; Y33-Q120 VanDerWaalsContact O-CA 3.27Å; Y33-Q120 WeakPolarHBondContact O-CA 3.39Å; T34-Q120 HydrophobicContact CG2-CG 4.01Å; T118-Q120 HydrophobicContact CG2-CG 3.96Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 WeakPolarHBondContact O-CA 3.46Å; Q120-A141 HydrophobicContact CB-CB 4.3Å; Q120-A141 PolarHBondContact N-O 3.23Å; Q120-A141 PolarHBondContact O-N 3.24Å
121R98.4Very high95.9Very high23 Ų2344.5 Ų44.59%0.08726%0.258CS..EExtended strand (participates in β ladder)trans-132.8135.3172.4-176.5-168.2-176.5-170.4-4.7109.3F32 Y33 H94 Y123 H138 Q139 Y140F32-R121 WeakPolarHBondContact CA-O 3.33Å; Y33-R121 PolarHBondContact N-O 3.19Å; Y33-R121 PolarHBondContact O-N 3.17Å; H94-R121 PolarHBondContact CD2-NH1 3.31Å; H94-R121 PolarHBondContact NE2-NH1 3.03Å; R121-Y123 HydrophobicContact CG-CD1 4.34Å; R121-H138 VanDerWaalsContact CZ-NE2 3.33Å; R121-H138 PolarHBondContact NE-NE2 2.82Å; R121-H138 VanDerWaalsContact NE-NE2 3.17Å; R121-H138 PolarHBondContact NH2-CD2 2.76Å; R121-H138 VanDerWaalsContact NH2-CD2 3.33Å; R121-H138 PolarHBondContact NH2-NE2 3.3Å; R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 WeakPolarHBondContact CA-O 3.43Å; R121-Y140 HydrophobicContact CB-CD1 3.89Å; R121-Y140 HydrophobicContact CB-CE1 3.74Å; R121-Y140 HydrophobicContact CB-CE2 4.46Å; R121-Y140 HydrophobicContact CB-CG 4.36Å; R121-Y140 VanDerWaalsContact CD-OH 3.23Å; R121-Y140 WeakPolarHBondContact CD-OH 3.23Å; R121-Y140 HydrophobicContact CG-CD1 4.18Å; R121-Y140 HydrophobicContact CG-CD2 4.12Å; R121-Y140 HydrophobicContact CG-CE1 3.81Å; R121-Y140 HydrophobicContact CG-CE2 3.7Å; R121-Y140 HydrophobicContact CG-CG 4.34Å; R121-Y140 PolarHBondContact NE-OH 3.46Å
122M98.6Very high95.7Very high23 Ų2349.8 Ų49.811%0.11328%0.275CS..EExtended strand (participates in β ladder)trans-122.8131.9166.4-173.9-79.5-73.200109Y31 F32 Y137 H138 Q139Y31-M122 WeakPolarHBondContact O-CA 3.49Å; F32-M122 HydrophobicContact CD1-CB 4Å; F32-M122 HydrophobicContact CD1-CG 3.62Å; F32-M122 HydrophobicContact CE1-CB 4.16Å; F32-M122 HydrophobicContact CE1-CG 3.37Å; F32-M122 HydrophobicContact CG-CG 4.46Å; F32-M122 HydrophobicContact CZ-CG 4.02Å; M122-Y137 HydrophobicContact CE-CD1 4.15Å; M122-Y137 HydrophobicContact CE-CG 4.11Å; M122-Y137 HydrophobicContact SD-CG 4.5Å; M122-H138 WeakPolarHBondContact O-CA 3.48Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 HydrophobicContact CE-CG 4.03Å; M122-Q139 PolarHBondContact N-O 3.19Å; M122-Q139 PolarHBondContact O-N 2.8Å
123Y98.6Very high95.8Very high17 Ų1748.9 Ų48.97%0.06726%0.261CS..EExtended strand (participates in β ladder)trans-147.2158.5170.572.6-84.4000111.2Y31 Y33 R121 Y137 Y183Y31-Y123 VanDerWaalsContact CB-CE1 3.5Å; Y31-Y123 HydrophobicContact CD2-CD2 4.23Å; Y31-Y123 HydrophobicContact CD2-CE1 4.4Å; Y31-Y123 AromaticContact CD2-CE2 3.51Å; Y31-Y123 HydrophobicContact CD2-CE2 3.51Å; Y31-Y123 AromaticContact CD2-CZ 3.63Å; Y31-Y123 HydrophobicContact CE2-CE2 4.21Å; Y31-Y123 HydrophobicContact CG-CE1 4.17Å; Y31-Y123 HydrophobicContact CG-CE2 4.09Å; Y31-Y123 AromaticContact CG-CZ 3.7Å; Y31-Y123 PolarHBondContact N-O 3.48Å; Y31-Y123 PolarHBondContact O-N 3.46Å; Y31-Y123 VanDerWaalsContact O-N 3.13Å; Y33-Y123 HydrophobicContact CD2-CE1 4.23Å; Y33-Y123 HydrophobicContact CE1-CE1 4.31Å; Y33-Y123 AromaticContact CE2-CE1 3.56Å; Y33-Y123 HydrophobicContact CE2-CE1 3.56Å; Y33-Y123 AromaticContact CZ-CE1 3.62Å; Y33-Y123 PolarHBondContact OH-OH 3.42Å; R121-Y123 HydrophobicContact CG-CD1 4.34Å; Y123-Y137 WeakPolarHBondContact CA-O 3.33Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.49Å; Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.72Å; Y123-Y183 HydrophobicContact CE2-CE1 3.72Å; Y123-Y183 AromaticContact CE2-CZ 3.99Å
124G98.6Very high96Very high0 Ų046 Ų460%025%0.25CC..EExtended strand (participates in β ladder)trans161.1-177.9-176.600000113.7M29 G136 Y137 L184M29-G124 CarbonylContact O-C 3.57Å; M29-G124 WeakPolarHBondContact O-CA 3.32Å; G124-G136 CarbonylContact O-C 3.59Å; G124-G136 WeakPolarHBondContact O-CA 3.41Å; G124-Y137 PolarHBondContact N-O 3.44Å; G124-Y137 PolarHBondContact O-N 3.47Å; G124-L184 WeakPolarHBondContact O-CD2 3.47Å
125C98.6Very high96.1Very high0 Ų046.5 Ų46.50%023%0.234CC..EExtended strand (participates in β ladder)trans-135.2152.3-177.254.90000111.1S28 M29 F133 R135 C188 V189S28-C125 WeakPolarHBondContact CA-O 3.37Å; M29-C125 PolarHBondContact N-O 2.83Å; M29-C125 PolarHBondContact O-N 3.12Å; C125-F133 HydrophobicContact CB-CD2 4.42Å; C125-F133 HydrophobicContact CB-CE2 4.16Å; C125-R135 CarbonylContact C-O 3.58Å; C125-R135 VanDerWaalsContact CA-O 3.31Å; C125-R135 WeakPolarHBondContact CA-O 3.48Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.5Å; C125-C188 PolarHBondContact N-SG 2.69Å; C125-C188 WeakPolarHBondContact SG-CB 3.42Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.91Å; C125-V189 HydrophobicContact CB-CG2 4.48Å
126D98.1Very high96.3Very high23 Ų2345.5 Ų45.512%0.12322%0.224CC..EExtended strand (participates in β ladder)trans-113.2141.7172.1-58.7-12.2000109H27 S28 R30 L134 R135 Y137H27-D126 CarbonylContact O-C 3.43Å; H27-D126 WeakPolarHBondContact O-CA 3.29Å; S28-D126 WeakPolarHBondContact CB-OD1 3.5Å; R30-D126 IonicContact CZ-OD1 3.9Å; R30-D126 IonicContact NE-OD1 2.8Å; R30-D126 PolarHBondContact NE-OD1 3.26Å; R30-D126 VanDerWaalsContact NH2-CG 3.34Å; R30-D126 IonicContact NH2-OD1 3.7Å; R30-D126 PolarHBondContact NH2-OD1 2.92Å; R30-D126 IonicContact NH2-OD2 2.84Å; R30-D126 PolarHBondContact NH2-OD2 3.38Å; R30-D126 VanDerWaalsContact NH2-OD2 3.12Å; D126-L134 HydrophobicContact CB-CB 4.29Å; D126-L134 HydrophobicContact CB-CD1 4.45Å; D126-L134 PolarHBondContact O-N 2.84Å; D126-R135 HydrophobicContact CB-CB 4.42Å; D126-R135 PolarHBondContact N-O 3.27Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.35Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.21Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 2.9Å
127V96.4Very high96.3Very high0 Ų043.7 Ų43.70%021%0.206CC..EExtended strand (participates in β ladder)trans-123.8143174.5-62.30000110.7S26 H27 R132 V189 L192S26-V127 VanDerWaalsContact CA-O 3.31Å; S26-V127 WeakPolarHBondContact CA-O 3.5Å; S26-V127 WeakPolarHBondContact CB-O 3.36Å; H27-V127 HydrophobicContact CB-CG2 3.97Å; H27-V127 PolarHBondContact N-O 2.85Å; H27-V127 PolarHBondContact O-N 3.09Å; V127-R132 CarbonylContact C-O 3.49Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; V127-V189 HydrophobicContact CG1-CB 4.36Å; V127-V189 HydrophobicContact CG1-CG1 3.86Å; V127-V189 HydrophobicContact CG1-CG2 3.99Å; V127-L192 HydrophobicContact CB-CD2 4.41Å; V127-L192 HydrophobicContact CG1-CD2 3.98Å; V127-L192 HydrophobicContact CG2-CD2 3.7Å; V127-L192 HydrophobicContact CG2-CG 4.25Å
128G93.3Very high96.3Very high6 Ų643.2 Ų43.26%0.06220%0.204CC..  trans-75178.2177.800000111.7D130 W131 R132 L134G128-D130 PolarHBondContact O-N 2.98Å; G128-W131 VanDerWaalsContact O-CA 3.31Å; G128-W131 WeakPolarHBondContact O-CA 3.3Å; G128-W131 PolarHBondContact O-N 3.25Å; G128-R132 PolarHBondContact N-O 2.71Å; G128-L134 VanDerWaalsContact CA-CD1 3.42Å; G128-L134 VanDerWaalsContact N-CG 3.31Å
129S89.1Confident96.3Very high85 Ų8544.8 Ų44.859%0.59421%0.209SC*.THydrogen-bonded Turntrans-65.1-17.6173.6500000113.8G25 W131G25-S129 WeakPolarHBondContact O-CA 3.19Å; G25-S129 PolarHBondContact O-N 3.19Å; S129-W131 VanDerWaalsContact C-N 3.27Å
130D89.3Confident96.3Very high86 Ų8646 Ų4646%0.4621%0.213SC..THydrogen-bonded Turntrans-89.49.716972.2-16.9000113.2G128 R132G128-D130 PolarHBondContact O-N 2.98Å; D130-R132 PolarHBondContact O-N 3.1Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 PolarHBondContact OD1-N 3.26Å; D130-R132 VanDerWaalsContact OD1-N 3.11Å; D130-R132 WeakPolarHBondContact OD2-CD 3.29Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.49Å; D130-R132 IonicContact OD2-NE 2.73Å; D130-R132 PolarHBondContact OD2-NE 3.33Å
131W88.4Confident96.3Very high84 Ų8443.1 Ų43.132%0.31820%0.203SC..SBendtrans65.28.6-179.5-52.188.1000114.8G128 S129 R193 L196G128-W131 VanDerWaalsContact O-CA 3.31Å; G128-W131 WeakPolarHBondContact O-CA 3.3Å; G128-W131 PolarHBondContact O-N 3.25Å; S129-W131 VanDerWaalsContact C-N 3.27Å; W131-R193 HydrophobicContact CE3-CG 4.03Å; W131-R193 VanDerWaalsContact O-CZ 3.29Å; W131-R193 PolarHBondContact O-NE 3.2Å; W131-R193 VanDerWaalsContact O-NE 3.07Å; W131-R193 PolarHBondContact O-NH2 2.96Å; W131-L196 HydrophobicContact CE3-CD1 4.19Å; W131-L196 HydrophobicContact CH2-CB 3.95Å; W131-L196 HydrophobicContact CH2-CD1 4.1Å; W131-L196 HydrophobicContact CZ3-CB 3.64Å; W131-L196 HydrophobicContact CZ3-CD1 3.34Å; W131-L196 HydrophobicContact CZ3-CG 4.05Å
132R94.2Very high96.3Very high172 Ų17242.5 Ų42.565%0.64920%0.2SC*.  trans-82.8150.1180-63.2-172-174.3178.8-2.1111.1V127 G128 D130 L134V127-R132 CarbonylContact C-O 3.49Å; V127-R132 WeakPolarHBondContact CA-O 3.33Å; G128-R132 PolarHBondContact N-O 2.71Å; D130-R132 PolarHBondContact O-N 3.1Å; D130-R132 WeakPolarHBondContact OD1-CB 3.25Å; D130-R132 PolarHBondContact OD1-N 3.26Å; D130-R132 VanDerWaalsContact OD1-N 3.11Å; D130-R132 WeakPolarHBondContact OD2-CD 3.29Å; D130-R132 VanDerWaalsContact OD2-CG 3.3Å; D130-R132 WeakPolarHBondContact OD2-CG 3.49Å; D130-R132 IonicContact OD2-NE 2.73Å; D130-R132 PolarHBondContact OD2-NE 3.33Å; R132-L134 PolarHBondContact O-N 3.47Å
133F97.2Very high96.3Very high61 Ų6144.3 Ų44.327%0.26821%0.211SC..EExtended strand (participates in β ladder)trans-55128.7173.8178.7-98.8000110.6C125 R135 G136 L154 L184 E185 V189C125-F133 HydrophobicContact CB-CD2 4.42Å; C125-F133 HydrophobicContact CB-CE2 4.16Å; F133-R135 VanDerWaalsContact CE2-C 3.46Å; F133-R135 WeakPolarHBondContact CE2-O 3.28Å; F133-G136 VanDerWaalsContact CZ-N 3.27Å; F133-L154 HydrophobicContact CE1-CD1 3.95Å; F133-L154 HydrophobicContact CZ-CD1 3.66Å; F133-L184 HydrophobicContact CE2-CB 4.47Å; F133-L184 WeakPolarHBondContact CE2-O 3.44Å; F133-E185 HydrophobicContact CD1-CG 4.15Å; F133-E185 HydrophobicContact CE1-CG 3.99Å; F133-E185 HydrophobicContact CE2-CG 4.38Å; F133-E185 HydrophobicContact CG-CG 4.41Å; F133-E185 HydrophobicContact CZ-CG 4.11Å; F133-V189 HydrophobicContact CB-CG2 4.08Å; F133-V189 HydrophobicContact CD2-CG2 3.73Å; F133-V189 HydrophobicContact CG-CG2 4.4Å
134L96.4Very high96.3Very high73 Ų7346.3 Ų46.338%0.38224%0.237SC..EExtended strand (participates in β ladder)trans-107.8-50.8175.1-66.6170.6000111.5W23 D126 G128 R132W23-L134 HydrophobicContact CE3-CD1 3.87Å; W23-L134 HydrophobicContact CH2-CD1 4.27Å; W23-L134 HydrophobicContact CZ3-CD1 3.31Å; W23-L134 HydrophobicContact CZ3-CD2 4.27Å; W23-L134 HydrophobicContact CZ3-CG 4.3Å; D126-L134 HydrophobicContact CB-CB 4.29Å; D126-L134 HydrophobicContact CB-CD1 4.45Å; D126-L134 PolarHBondContact O-N 2.84Å; G128-L134 VanDerWaalsContact CA-CD1 3.42Å; G128-L134 VanDerWaalsContact N-CG 3.31Å; R132-L134 PolarHBondContact O-N 3.47Å
135R96.9Very high96.3Very high94 Ų9454 Ų5436%0.35527%0.27SS..EExtended strand (participates in β ladder)trans-156147-169.8-172.9164.5169.1150.710.6111.1C125 D126 F133 Y137 E152C125-R135 CarbonylContact C-O 3.58Å; C125-R135 VanDerWaalsContact CA-O 3.31Å; C125-R135 WeakPolarHBondContact CA-O 3.48Å; D126-R135 HydrophobicContact CB-CB 4.42Å; D126-R135 PolarHBondContact N-O 3.27Å; F133-R135 VanDerWaalsContact CE2-C 3.46Å; F133-R135 WeakPolarHBondContact CE2-O 3.28Å; R135-Y137 HydrophobicContact CB-CE2 4.19Å; R135-Y137 WeakPolarHBondContact CD-OH 3.35Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.8Å; R135-Y137 PolarHBondContact NE-OH 2.92Å; R135-E152 IonicContact CZ-OE1 3.6Å; R135-E152 IonicContact NH1-OE1 3.31Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH2-OE1 3.37Å; R135-E152 PolarHBondContact NH2-OE1 3.27Å
136G97.9Very high96.3Very high4 Ų459.8 Ų59.84%0.04130%0.301CS..EExtended strand (participates in β ladder)trans-122.7150.1175.500000110.4G124 F133G124-G136 CarbonylContact O-C 3.59Å; G124-G136 WeakPolarHBondContact O-CA 3.41Å; F133-G136 VanDerWaalsContact CZ-N 3.27Å
137Y98.4Very high96.3Very high38 Ų3859.1 Ų59.115%0.14930%0.297CS..EExtended strand (participates in β ladder)trans-131.1140.9-178.8-53.8-96.6000109.6R30 M122 Y123 G124 D126 R135R30-Y137 VanDerWaalsContact NH2-CZ 3.3Å; R30-Y137 PolarHBondContact NH2-OH 2.98Å; M122-Y137 HydrophobicContact CE-CD1 4.15Å; M122-Y137 HydrophobicContact CE-CG 4.11Å; M122-Y137 HydrophobicContact SD-CG 4.5Å; Y123-Y137 WeakPolarHBondContact CA-O 3.33Å; Y123-Y137 VanDerWaalsContact CB-O 3.27Å; Y123-Y137 WeakPolarHBondContact CB-O 3.49Å; G124-Y137 PolarHBondContact N-O 3.44Å; G124-Y137 PolarHBondContact O-N 3.47Å; D126-Y137 WeakPolarHBondContact OD1-CE2 3.35Å; D126-Y137 WeakPolarHBondContact OD2-CE2 3.21Å; D126-Y137 VanDerWaalsContact OD2-CZ 3.29Å; D126-Y137 PolarHBondContact OD2-OH 2.9Å; R135-Y137 HydrophobicContact CB-CE2 4.19Å; R135-Y137 WeakPolarHBondContact CD-OH 3.35Å; R135-Y137 HydrophobicContact CG-CE1 4.17Å; R135-Y137 HydrophobicContact CG-CE2 3.8Å; R135-Y137 PolarHBondContact NE-OH 2.92Å
138H98.6Very high96.4Very high5 Ų559.3 Ų59.32%0.02330%0.298CS..EExtended strand (participates in β ladder)trans-159.2103169.2-176.3-89.7000109.3R121 M122 Y140 L150 W157 W171 L180R121-H138 VanDerWaalsContact CZ-NE2 3.33Å; R121-H138 PolarHBondContact NE-NE2 2.82Å; R121-H138 VanDerWaalsContact NE-NE2 3.17Å; R121-H138 PolarHBondContact NH2-CD2 2.76Å; R121-H138 VanDerWaalsContact NH2-CD2 3.33Å; R121-H138 PolarHBondContact NH2-NE2 3.3Å; M122-H138 WeakPolarHBondContact O-CA 3.48Å; H138-Y140 AromaticContact CE1-CE2 3.43Å; H138-Y140 VanDerWaalsContact CE1-CE2 3.43Å; H138-Y140 WeakPolarHBondContact CE1-CE2 3.2Å; H138-Y140 AromaticContact NE2-CE2 3.88Å; H138-L150 HydrophobicContact CB-CB 3.98Å; H138-L150 HydrophobicContact CB-CD2 4.13Å; H138-L150 WeakPolarHBondContact O-CB 3.49Å; H138-L150 PolarHBondContact O-N 2.87Å; H138-W157 AromaticContact ND1-CH2 3.7Å; H138-W157 AromaticContact ND1-CZ3 3.77Å; H138-W171 AromaticContact CE1-CH2 3.98Å; H138-W171 AromaticContact CE1-CZ3 3.99Å; H138-L180 HydrophobicContact CB-CD1 4.36Å; H138-L180 VanDerWaalsContact CE1-CD1 3.5Å; H138-L180 WeakPolarHBondContact CE1-CD1 3.44Å
139Q98.6Very high96.7Very high68 Ų6860.4 Ų60.432%0.31831%0.307SS..EExtended strand (participates in β ladder)trans-140.9149.7-173.564.8-165.156.300112R121 M122 I148 A149R121-Q139 CarbonylContact C-O 3.59Å; R121-Q139 WeakPolarHBondContact CA-O 3.43Å; M122-Q139 HydrophobicContact CB-CG 4.1Å; M122-Q139 HydrophobicContact CE-CG 4.03Å; M122-Q139 PolarHBondContact N-O 3.19Å; M122-Q139 PolarHBondContact O-N 2.8Å; Q139-I148 CarbonylContact C-O 3.58Å; Q139-I148 WeakPolarHBondContact CA-O 3.4Å; Q139-A149 HydrophobicContact CB-CB 3.82Å
140Y98.7Very high97.1Very high25 Ų2557 Ų5710%0.09828%0.282CS..EExtended strand (participates in β ladder)trans-121.6146.8175.6-72.6-107.1000110.6V119 Q120 R121 H138 Y147 I148 W171V119-Y140 HydrophobicContact CG1-CD1 4.07Å; Q120-Y140 CarbonylContact O-C 3.59Å; Q120-Y140 WeakPolarHBondContact O-CA 3.46Å; R121-Y140 HydrophobicContact CB-CD1 3.89Å; R121-Y140 HydrophobicContact CB-CE1 3.74Å; R121-Y140 HydrophobicContact CB-CE2 4.46Å; R121-Y140 HydrophobicContact CB-CG 4.36Å; R121-Y140 VanDerWaalsContact CD-OH 3.23Å; R121-Y140 WeakPolarHBondContact CD-OH 3.23Å; R121-Y140 HydrophobicContact CG-CD1 4.18Å; R121-Y140 HydrophobicContact CG-CD2 4.12Å; R121-Y140 HydrophobicContact CG-CE1 3.81Å; R121-Y140 HydrophobicContact CG-CE2 3.7Å; R121-Y140 HydrophobicContact CG-CG 4.34Å; R121-Y140 PolarHBondContact NE-OH 3.46Å; H138-Y140 AromaticContact CE1-CE2 3.43Å; H138-Y140 VanDerWaalsContact CE1-CE2 3.43Å; H138-Y140 WeakPolarHBondContact CE1-CE2 3.2Å; H138-Y140 AromaticContact NE2-CE2 3.88Å; Y140-Y147 WeakPolarHBondContact O-CB 3.45Å; Y140-Y147 PolarHBondContact O-N 2.94Å; Y140-I148 HydrophobicContact CD2-CG2 4.3Å; Y140-I148 PolarHBondContact N-O 2.97Å; Y140-I148 PolarHBondContact O-N 3.4Å; Y140-W171 AromaticContact CD2-CH2 3.87Å; Y140-W171 HydrophobicContact CD2-CH2 3.87Å; Y140-W171 AromaticContact CE2-CH2 3.52Å; Y140-W171 HydrophobicContact CE2-CH2 3.52Å; Y140-W171 HydrophobicContact CE2-CZ2 4.39Å; Y140-W171 HydrophobicContact CE2-CZ3 4.37Å
141A98.8Very high97.6Very high18 Ų1857.1 Ų57.115%0.14928%0.278CS..EExtended strand (participates in β ladder)trans-124.6147.2167.700000110.1Q120 K145Q120-A141 HydrophobicContact CB-CB 4.3Å; Q120-A141 PolarHBondContact N-O 3.23Å; Q120-A141 PolarHBondContact O-N 3.24Å; A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.46Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.32Å
142Y98.7Very high98Very high10 Ų1059.6 Ų59.64%0.03929%0.293CS..EExtended strand (participates in β ladder)trans-125.5127.2176.1-174.3-121.2000109.8L102 L105 R106 Y109 Q111 H117 T118 V119 G144 K145L102-Y142 HydrophobicContact CD2-CE2 4.39Å; L105-Y142 HydrophobicContact CB-CD1 4.33Å; L105-Y142 HydrophobicContact CB-CD2 4.11Å; L105-Y142 HydrophobicContact CB-CE1 4.01Å; L105-Y142 HydrophobicContact CB-CE2 3.77Å; L105-Y142 HydrophobicContact CB-CG 4.36Å; L105-Y142 HydrophobicContact CD1-CD2 3.6Å; L105-Y142 HydrophobicContact CD1-CE2 3.98Å; L105-Y142 HydrophobicContact CD1-CG 4.01Å; L105-Y142 HydrophobicContact CG-CD2 4.43Å; R106-Y142 PolarHBondContact N-OH 3.17Å; Y109-Y142 AromaticContact CD2-CD1 3.69Å; Y109-Y142 HydrophobicContact CD2-CD1 3.69Å; Y109-Y142 AromaticContact CD2-CE1 3.47Å; Y109-Y142 HydrophobicContact CD2-CE1 3.47Å; Y109-Y142 VanDerWaalsContact CD2-CE1 3.47Å; Y109-Y142 AromaticContact CE2-CD1 3.47Å; Y109-Y142 HydrophobicContact CE2-CD1 3.47Å; Y109-Y142 VanDerWaalsContact CE2-CD1 3.47Å; Y109-Y142 AromaticContact CE2-CE1 3.79Å; Y109-Y142 HydrophobicContact CE2-CE1 3.79Å; Y109-Y142 HydrophobicContact CE2-CG 4.46Å; Y109-Y142 HydrophobicContact CG-CE1 4.37Å; Q111-Y142 PolarHBondContact OE1-OH 2.83Å; H117-Y142 HydrophobicContact CB-CE2 3.85Å; H117-Y142 WeakPolarHBondContact CB-OH 3.1Å; H117-Y142 VanDerWaalsContact CG-OH 3.22Å; H117-Y142 AromaticContact ND1-CZ 3.9Å; H117-Y142 PolarHBondContact ND1-OH 2.74Å; T118-Y142 CarbonylContact O-C 3.57Å; T118-Y142 WeakPolarHBondContact O-CA 3.38Å; T118-Y142 VanDerWaalsContact O-CD2 3.23Å; T118-Y142 WeakPolarHBondContact O-CD2 3.22Å; V119-Y142 HydrophobicContact CG2-CD2 3.69Å; V119-Y142 HydrophobicContact CG2-CE2 4.02Å; Y142-G144 PolarHBondContact O-N 2.86Å; Y142-K145 PolarHBondContact N-O 2.8Å; Y142-K145 PolarHBondContact O-N 3.02Å
143D98.3Very high98.1Very high61 Ų6155.1 Ų55.133%0.32628%0.282SS..THydrogen-bonded Turntrans49.240.3-175.3-66-21.6000113.3Q111 H117 T118 K145Q111-D143 PolarHBondContact NE2-OD2 3.08Å; H117-D143 WeakPolarHBondContact CA-OD1 3.46Å; H117-D143 IonicContact CE1-OD2 2.69Å; H117-D143 IonicContact CG-OD1 2.71Å; H117-D143 IonicContact CG-OD2 3.41Å; H117-D143 IonicContact ND1-OD1 3.69Å; H117-D143 IonicContact ND1-OD2 3.57Å; H117-D143 PolarHBondContact ND1-OD2 2.65Å; T118-D143 PolarHBondContact N-OD1 2.89Å; T118-D143 PolarHBondContact O-N 3.4Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.87Å
144G97.4Very high98.2Very high60 Ų6052.4 Ų52.462%0.61927%0.271SS*.THydrogen-bonded Turntrans78.15.617800000115.3Y142Y142-G144 PolarHBondContact O-N 2.86Å
145K98.4Very high98.2Very high160 Ų16057.1 Ų57.170%0.69628%0.283SS*.EExtended strand (participates in β ladder)trans-112144.3176.8-62.5179.8-177.31770110.7A141 Y142 D143 Y147A141-K145 CarbonylContact C-O 3.52Å; A141-K145 WeakPolarHBondContact CA-O 3.46Å; A141-K145 VanDerWaalsContact CB-O 3.22Å; A141-K145 WeakPolarHBondContact CB-O 3.32Å; Y142-K145 PolarHBondContact N-O 2.8Å; Y142-K145 PolarHBondContact O-N 3.02Å; D143-K145 VanDerWaalsContact C-N 3.3Å; D143-K145 PolarHBondContact O-N 2.87Å; K145-Y147 PolarHBondContact O-N 2.9Å
146D98.6Very high98.3Very high123 Ų12354 Ų5466%0.65828%0.276SS*.EExtended strand (participates in β ladder)trans-53.4135.5173.1-69.7-29.8000110.6A160D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.21Å
147Y98.8Very high98.3Very high9 Ų954 Ų544%0.03527%0.274CS..EExtended strand (participates in β ladder)trans-113.2-64.9179.6179-108.1000110.5L105 Y109 Y140 K145 A160 A163 A164 T167L105-Y147 HydrophobicContact CD2-CD1 4.4Å; L105-Y147 HydrophobicContact CD2-CD2 4.07Å; L105-Y147 HydrophobicContact CD2-CE1 3.8Å; L105-Y147 HydrophobicContact CD2-CE2 3.4Å; L105-Y147 VanDerWaalsContact CD2-CE2 3.4Å; L105-Y147 WeakPolarHBondContact CD2-OH 3.42Å; Y109-Y147 HydrophobicContact CE2-CD2 4.43Å; Y109-Y147 HydrophobicContact CE2-CE2 4.17Å; Y109-Y147 WeakPolarHBondContact OH-CD2 3.19Å; Y109-Y147 WeakPolarHBondContact OH-CE2 3.26Å; Y140-Y147 WeakPolarHBondContact O-CB 3.45Å; Y140-Y147 PolarHBondContact O-N 2.94Å; K145-Y147 PolarHBondContact O-N 2.9Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.33Å; Y147-A163 HydrophobicContact CE2-CB 4.31Å; Y147-A163 PolarHBondContact OH-O 3.08Å; Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.23Å; Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.48Å; Y147-T167 PolarHBondContact OH-OG1 2.86Å
148I98.8Very high98.3Very high3 Ų355.8 Ų55.82%0.01529%0.29CS..EExtended strand (participates in β ladder)trans-146.9139.8178.8-161.5175.4000110.5Q139 Y140 W157 T158 T167 K168 W171Q139-I148 CarbonylContact C-O 3.58Å; Q139-I148 WeakPolarHBondContact CA-O 3.4Å; Y140-I148 HydrophobicContact CD2-CG2 4.3Å; Y140-I148 PolarHBondContact N-O 2.97Å; Y140-I148 PolarHBondContact O-N 3.4Å; I148-W157 HydrophobicContact CD1-CB 4.31Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.13Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.39Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; I148-T158 CarbonylContact C-O 3.54Å; I148-T158 WeakPolarHBondContact CA-O 3.39Å; I148-T158 WeakPolarHBondContact CG1-O 3.4Å; I148-T167 HydrophobicContact CD1-CG2 4.01Å; I148-K168 HydrophobicContact CD1-CB 3.87Å; I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.36Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.85Å
149A98.8Very high98.3Very high30 Ų3056.3 Ų56.325%0.24830%0.295CS..EExtended strand (participates in β ladder)trans-135.4137.3179.600000111.6Q139 W157 T158Q139-A149 HydrophobicContact CB-CB 3.82Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; A149-T158 PolarHBondContact N-O 3.24Å; A149-T158 PolarHBondContact O-N 3.47Å
150L98.8Very high98.3Very high14 Ų1456 Ų567%0.07330%0.304CS..EExtended strand (participates in β ladder)trans-69.6129.6168.1-173.966000108.4H138 L154 W157 A177 L180 L184H138-L150 HydrophobicContact CB-CB 3.98Å; H138-L150 HydrophobicContact CB-CD2 4.13Å; H138-L150 WeakPolarHBondContact O-CB 3.49Å; H138-L150 PolarHBondContact O-N 2.87Å; L150-L154 HydrophobicContact CD2-CB 4.4Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.17Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; L150-A177 HydrophobicContact CD1-CB 4.03Å; L150-L180 HydrophobicContact CD2-CB 4.37Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å
151K98.4Very high98.3Very high88 Ų8857.6 Ų57.638%0.38331%0.314SS..  trans-73166177.8-63.1-163.1-156.9164.90111.3D153 L154 S156 W157 T158K151-D153 PolarHBondContact O-N 3.17Å; K151-D153 VanDerWaalsContact O-N 3.1Å; K151-L154 PolarHBondContact O-N 2.84Å; K151-S156 WeakPolarHBondContact CB-O 3.22Å; K151-S156 VanDerWaalsContact CD-OG 3.24Å; K151-S156 WeakPolarHBondContact CD-OG 3.39Å; K151-S156 WeakPolarHBondContact CG-O 3.46Å; K151-S156 PolarHBondContact N-O 2.83Å; K151-W157 WeakPolarHBondContact CE-O 3.36Å; K151-T158 VanDerWaalsContact CE-OG1 3.26Å; K151-T158 WeakPolarHBondContact CE-OG1 3.3Å; K151-T158 WeakPolarHBondContact CG-OG1 3.48Å
152E97.3Very high98.2Very high135 Ų13564.1 Ų64.163%0.63134%0.343SS*.THydrogen-bonded Turntrans-58.5-23.3178.4-65.4-179.9-171.600113.5R135 L154R135-E152 IonicContact CZ-OE1 3.6Å; R135-E152 IonicContact NH1-OE1 3.31Å; R135-E152 PolarHBondContact NH1-OE1 2.92Å; R135-E152 IonicContact NH2-OE1 3.37Å; R135-E152 PolarHBondContact NH2-OE1 3.27Å; E152-L154 PolarHBondContact O-N 2.89Å
153D97.3Very high98.1Very high79 Ų7964.1 Ų64.142%0.42235%0.346SS..THydrogen-bonded Turntrans-71.1-9.3174.767.712.6000114.2K151 R155 S156K151-D153 PolarHBondContact O-N 3.17Å; K151-D153 VanDerWaalsContact O-N 3.1Å; D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 3.15Å; D153-R155 VanDerWaalsContact O-N 3.12Å; D153-R155 PolarHBondContact OD1-N 2.91Å; D153-S156 PolarHBondContact OD1-N 3.25Å; D153-S156 PolarHBondContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.05Å; D153-S156 PolarHBondContact OD2-OG 3.13Å
154L98.1Very high98.2Very high4 Ų461.2 Ų61.22%0.02133%0.33CS..SBendtrans53.923.9-175.4-51.3178.7000114.4F133 L150 K151 E152 R181 L184 E185F133-L154 HydrophobicContact CE1-CD1 3.95Å; F133-L154 HydrophobicContact CZ-CD1 3.66Å; L150-L154 HydrophobicContact CD2-CB 4.4Å; L150-L154 HydrophobicContact CD2-CD2 3.76Å; L150-L154 HydrophobicContact CG-CD2 4.33Å; K151-L154 PolarHBondContact O-N 2.84Å; E152-L154 PolarHBondContact O-N 2.89Å; L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.04Å; L154-L184 HydrophobicContact CD2-CD1 4.11Å; L154-E185 HydrophobicContact CD1-CG 3.95Å
155R97.4Very high98.2Very high171 Ų17161 Ų6165%0.64531%0.313SS*.SBendtrans-129.4-31.5-175.3-70.9172.2-174.8-126.48112.3D153D153-R155 WeakPolarHBondContact O-CG 3.36Å; D153-R155 PolarHBondContact O-N 3.15Å; D153-R155 VanDerWaalsContact O-N 3.12Å; D153-R155 PolarHBondContact OD1-N 2.91Å
156S97.6Very high98.2Very high29 Ų2956.1 Ų56.120%0.20330%0.297CS..  trans-119.9162.3-175.2730000112.4K151 D153K151-S156 WeakPolarHBondContact CB-O 3.22Å; K151-S156 VanDerWaalsContact CD-OG 3.24Å; K151-S156 WeakPolarHBondContact CD-OG 3.39Å; K151-S156 WeakPolarHBondContact CG-O 3.46Å; K151-S156 PolarHBondContact N-O 2.83Å; D153-S156 PolarHBondContact OD1-N 3.25Å; D153-S156 PolarHBondContact OD1-OG 3.11Å; D153-S156 WeakPolarHBondContact OD2-CB 3.05Å; D153-S156 PolarHBondContact OD2-OG 3.13Å
157W98.7Very high98.2Very high3 Ų351.1 Ų51.11%0.01127%0.27CS..EExtended strand (participates in β ladder)trans-117.4142.1-174-60.194.1000111.9H138 I148 A149 L150 K151 K168 W171 V176 A177 L180H138-W157 AromaticContact ND1-CH2 3.7Å; H138-W157 AromaticContact ND1-CZ3 3.77Å; I148-W157 HydrophobicContact CD1-CB 4.31Å; I148-W157 HydrophobicContact CD1-CD2 4.37Å; I148-W157 HydrophobicContact CD1-CE3 4.13Å; I148-W157 HydrophobicContact CD1-CG 4.47Å; I148-W157 HydrophobicContact CG1-CB 4.39Å; I148-W157 HydrophobicContact CG1-CE3 4.04Å; A149-W157 WeakPolarHBondContact O-CA 3.46Å; L150-W157 HydrophobicContact CB-CE3 4.07Å; L150-W157 HydrophobicContact CB-CH2 4.17Å; L150-W157 HydrophobicContact CB-CZ3 3.7Å; L150-W157 HydrophobicContact CD1-CD2 4.2Å; L150-W157 HydrophobicContact CD1-CE3 4.26Å; L150-W157 HydrophobicContact CD1-CH2 4.03Å; L150-W157 HydrophobicContact CD1-CZ2 3.96Å; L150-W157 HydrophobicContact CD1-CZ3 4.17Å; K151-W157 WeakPolarHBondContact CE-O 3.36Å; W157-K168 HydrophobicContact CB-CD 4.09Å; W157-K168 HydrophobicContact CB-CG 3.97Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CH2-CD2 4.42Å; W157-W171 AromaticContact CH2-CE3 3.23Å; W157-W171 HydrophobicContact CH2-CE3 3.23Å; W157-W171 AromaticContact CH2-CZ3 3.31Å; W157-W171 HydrophobicContact CH2-CZ3 3.31Å; W157-W171 HydrophobicContact CZ2-CD2 4.36Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CZ3 4.04Å; W157-W171 AromaticContact CZ3-CE3 3.48Å; W157-W171 HydrophobicContact CZ3-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.48Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; W157-V176 HydrophobicContact CZ2-CB 4.34Å; W157-V176 HydrophobicContact CZ2-CG1 4.12Å; W157-A177 HydrophobicContact CZ2-CB 4.21Å; W157-L180 HydrophobicContact CH2-CD1 3.42Å; W157-L180 VanDerWaalsContact CH2-CD1 3.42Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å
158T98.6Very high98.1Very high76 Ų7652.7 Ų52.747%0.46628%0.277SS..EExtended strand (participates in β ladder)trans-101.2123163.8-60.50000108.3I148 A149 K151I148-T158 CarbonylContact C-O 3.54Å; I148-T158 WeakPolarHBondContact CA-O 3.39Å; I148-T158 WeakPolarHBondContact CG1-O 3.4Å; A149-T158 PolarHBondContact N-O 3.24Å; A149-T158 PolarHBondContact O-N 3.47Å; K151-T158 VanDerWaalsContact CE-OG1 3.26Å; K151-T158 WeakPolarHBondContact CE-OG1 3.3Å; K151-T158 WeakPolarHBondContact CG-OG1 3.48Å
159A98.6Very high98.1Very high17 Ų1758.1 Ų58.114%0.1430%0.302CS..EExtended strand (participates in β ladder)trans-109.2133.4175.900000108.9A164 Q165 K168A159-A164 HydrophobicContact CB-CB 3.68Å; A159-Q165 HydrophobicContact CB-CG 4.35Å; A159-K168 HydrophobicContact CB-CB 4.32Å; A159-K168 HydrophobicContact CB-CD 4.23Å
160A98.4Very high98.1Very high60 Ų6062.4 Ų62.450%0.49632%0.315SS..SBendtrans-77-31.9-173.100000113.4D146 Y147D146-A160 HydrophobicContact CB-CB 4.45Å; D146-A160 WeakPolarHBondContact O-CB 3.21Å; Y147-A160 WeakPolarHBondContact O-CB 3.48Å; Y147-A160 PolarHBondContact O-N 3.33Å
161D98.1Very high98.1Very high60 Ų6064.3 Ų64.332%0.32132%0.322SS..SBendtrans-150.6-174.6-178.165.728.8000112.5Y109 A163 A164 Q165Y109-D161 VanDerWaalsContact CE1-OD2 3.22Å; Y109-D161 WeakPolarHBondContact CE1-OD2 3.38Å; Y109-D161 VanDerWaalsContact CZ-OD2 3.31Å; Y109-D161 VanDerWaalsContact OH-CG 3.24Å; Y109-D161 PolarHBondContact OH-OD1 3.18Å; Y109-D161 PolarHBondContact OH-OD2 2.87Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.15Å; D161-A163 WeakPolarHBondContact OD1-CA 3.36Å; D161-A163 WeakPolarHBondContact OD1-CB 3Å; D161-A163 PolarHBondContact OD1-N 2.59Å; D161-A164 PolarHBondContact O-N 2.67Å; D161-A164 PolarHBondContact OD1-N 2.93Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.28Å
162M97.4Very high98.1Very high155 Ų15563.8 Ų63.876%0.76432%0.321SS*.Hα-helixtrans-64.9-31.6-178.9-67.2-55.3-59.600113.9Q165M162-Q165 PolarHBondContact O-N 2.97Å
163A97.4Very high98.1Very high10 Ų1061.2 Ų61.28%0.08332%0.322CS..Hα-helixtrans-68.2-44.7174.700000109.7Y108 Y109 Y147 D161 Q165 T166 T167Y108-A163 HydrophobicContact CD2-CB 4.36Å; Y109-A163 HydrophobicContact CD1-CB 4.24Å; Y109-A163 HydrophobicContact CD2-CB 4.45Å; Y109-A163 HydrophobicContact CE1-CB 3.66Å; Y109-A163 HydrophobicContact CE2-CB 3.89Å; Y109-A163 VanDerWaalsContact CZ-CB 3.47Å; Y147-A163 HydrophobicContact CE2-CB 4.31Å; Y147-A163 PolarHBondContact OH-O 3.08Å; D161-A163 VanDerWaalsContact C-N 3.33Å; D161-A163 PolarHBondContact O-N 3.15Å; D161-A163 WeakPolarHBondContact OD1-CA 3.36Å; D161-A163 WeakPolarHBondContact OD1-CB 3Å; D161-A163 PolarHBondContact OD1-N 2.59Å; A163-Q165 VanDerWaalsContact C-N 3.29Å; A163-Q165 PolarHBondContact O-N 3.2Å; A163-T166 VanDerWaalsContact O-CB 3.23Å; A163-T166 WeakPolarHBondContact O-CB 3.27Å; A163-T166 PolarHBondContact O-N 2.73Å; A163-T167 PolarHBondContact O-N 3.14Å
164A98.3Very high98.2Very high0 Ų060.2 Ų60.20%033%0.325CS..Hα-helixtrans-61.9-32.2175.100000113.6Y147 A159 D161 T166 T167 K168Y147-A164 HydrophobicContact CD2-CB 3.83Å; Y147-A164 HydrophobicContact CE1-CB 4.43Å; Y147-A164 HydrophobicContact CE2-CB 3.68Å; Y147-A164 HydrophobicContact CG-CB 4.28Å; Y147-A164 WeakPolarHBondContact O-CB 3.23Å; A159-A164 HydrophobicContact CB-CB 3.68Å; D161-A164 PolarHBondContact O-N 2.67Å; D161-A164 PolarHBondContact OD1-N 2.93Å; A164-T166 PolarHBondContact O-N 3.35Å; A164-T167 PolarHBondContact O-N 2.94Å; A164-K168 WeakPolarHBondContact O-CB 3.34Å; A164-K168 PolarHBondContact O-N 3.06Å
165Q98.5Very high98.1Very high56 Ų5665.4 Ų65.426%0.26235%0.349SS..Hα-helixtrans-59-35.4172.3-66.4-63.1-20.200111.9A159 D161 M162 A163 K168 H169A159-Q165 HydrophobicContact CB-CG 4.35Å; D161-Q165 WeakPolarHBondContact O-CG 3.2Å; D161-Q165 PolarHBondContact O-N 3.28Å; M162-Q165 PolarHBondContact O-N 2.97Å; A163-Q165 VanDerWaalsContact C-N 3.29Å; A163-Q165 PolarHBondContact O-N 3.2Å; Q165-K168 WeakPolarHBondContact O-CB 3.44Å; Q165-K168 PolarHBondContact O-N 2.9Å; Q165-H169 PolarHBondContact O-CD2 2.72Å; Q165-H169 PolarHBondContact O-N 3.39Å
166T97.9Very high98.2Very high57 Ų5758.7 Ų58.735%0.3533%0.327SS..Hα-helixtrans-63.2-44.7176.3-56.20000111.2Y108 A163 A164 K170Y108-T166 HydrophobicContact CE1-CG2 4.21Å; Y108-T166 HydrophobicContact CE2-CG2 4.1Å; A163-T166 VanDerWaalsContact O-CB 3.23Å; A163-T166 WeakPolarHBondContact O-CB 3.27Å; A163-T166 PolarHBondContact O-N 2.73Å; A164-T166 PolarHBondContact O-N 3.35Å; T166-K170 WeakPolarHBondContact O-CG 3.37Å; T166-K170 PolarHBondContact O-N 3.18Å
167T98.2Very high98.2Very high17 Ų1757.7 Ų57.710%0.10432%0.32CS..Hα-helixtrans-64.9-43.1174.2-690000111.5Y147 I148 A163 A164 H169 K170 W171Y147-T167 HydrophobicContact CE1-CG2 4.15Å; Y147-T167 WeakPolarHBondContact OH-CB 3.48Å; Y147-T167 PolarHBondContact OH-OG1 2.86Å; I148-T167 HydrophobicContact CD1-CG2 4.01Å; A163-T167 PolarHBondContact O-N 3.14Å; A164-T167 PolarHBondContact O-N 2.94Å; T167-H169 PolarHBondContact O-N 2.89Å; T167-K170 PolarHBondContact O-N 3.15Å; T167-W171 HydrophobicContact CG2-CD2 3.85Å; T167-W171 HydrophobicContact CG2-CE3 4.35Å; T167-W171 HydrophobicContact CG2-CG 4.17Å; T167-W171 HydrophobicContact CG2-CH2 4.47Å; T167-W171 HydrophobicContact CG2-CZ2 4.01Å; T167-W171 PolarHBondContact O-N 3.13Å
168K98.6Very high98.2Very high43 Ų4363.5 Ų63.519%0.18735%0.348CS..Hα-helixtrans-54.3-51.6177.3173.5175.3171.7-172.70111.7I148 W157 A159 A164 Q165 K170 W171 E172I148-K168 HydrophobicContact CD1-CB 3.87Å; W157-K168 HydrophobicContact CB-CD 4.09Å; W157-K168 HydrophobicContact CB-CG 3.97Å; A159-K168 HydrophobicContact CB-CB 4.32Å; A159-K168 HydrophobicContact CB-CD 4.23Å; A164-K168 WeakPolarHBondContact O-CB 3.34Å; A164-K168 PolarHBondContact O-N 3.06Å; Q165-K168 WeakPolarHBondContact O-CB 3.44Å; Q165-K168 PolarHBondContact O-N 2.9Å; K168-K170 VanDerWaalsContact C-N 3.31Å; K168-K170 PolarHBondContact O-N 3.41Å; K168-W171 PolarHBondContact O-N 2.8Å; K168-W171 VanDerWaalsContact O-N 3.15Å; K168-E172 WeakPolarHBondContact CE-OE1 3.32Å; K168-E172 HydrophobicContact CG-CG 4.3Å; K168-E172 IonicContact NZ-OE1 2.67Å; K168-E172 WeakPolarHBondContact O-CB 3.35Å; K168-E172 WeakPolarHBondContact O-CG 3.47Å; K168-E172 PolarHBondContact O-N 2.87Å
169H98.5Very high98.1Very high116 Ų11666.7 Ų66.754%0.53736%0.357SS..Hα-helixtrans-60.4-40179.1-70.1-45000112.9Q165 T167 E172 A173Q165-H169 PolarHBondContact O-CD2 2.72Å; Q165-H169 PolarHBondContact O-N 3.39Å; T167-H169 PolarHBondContact O-N 2.89Å; H169-E172 IonicContact ND1-OE2 3.12Å; H169-A173 WeakPolarHBondContact O-CB 3.27Å; H169-A173 PolarHBondContact O-N 2.83Å
170K98.1Very high98.1Very high120 Ų12066.9 Ų66.952%0.52236%0.356SS..Hα-helixtrans-62.8-43.6175.1-72.1177.7176.3-175.70111.8Y108 T166 T167 K168 A174Y108-K170 PolarHBondContact OH-NZ 3.32Å; T166-K170 WeakPolarHBondContact O-CG 3.37Å; T166-K170 PolarHBondContact O-N 3.18Å; T167-K170 PolarHBondContact O-N 3.15Å; K168-K170 VanDerWaalsContact C-N 3.31Å; K168-K170 PolarHBondContact O-N 3.41Å; K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.35Å; K170-A174 PolarHBondContact O-N 3.25Å
171W98.3Very high98.1Very high55 Ų5567.6 Ų67.621%0.20835%0.346CS..Hα-helixtrans-73-34.2-178.3-76.110.8000113.2H138 Y140 I148 W157 T167 K168 A174 H175 V176H138-W171 AromaticContact CE1-CH2 3.98Å; H138-W171 AromaticContact CE1-CZ3 3.99Å; Y140-W171 AromaticContact CD2-CH2 3.87Å; Y140-W171 HydrophobicContact CD2-CH2 3.87Å; Y140-W171 AromaticContact CE2-CH2 3.52Å; Y140-W171 HydrophobicContact CE2-CH2 3.52Å; Y140-W171 HydrophobicContact CE2-CZ2 4.39Å; Y140-W171 HydrophobicContact CE2-CZ3 4.37Å; I148-W171 HydrophobicContact CD1-CE3 4.11Å; I148-W171 HydrophobicContact CD1-CZ3 4.36Å; I148-W171 HydrophobicContact CG2-CH2 4.12Å; I148-W171 HydrophobicContact CG2-CZ3 3.85Å; W157-W171 HydrophobicContact CD2-CE3 4.05Å; W157-W171 AromaticContact CE2-CE3 3.84Å; W157-W171 AromaticContact CE3-CE3 3.86Å; W157-W171 HydrophobicContact CE3-CE3 3.86Å; W157-W171 AromaticContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CE3-CZ3 3.99Å; W157-W171 HydrophobicContact CH2-CD2 4.42Å; W157-W171 AromaticContact CH2-CE3 3.23Å; W157-W171 HydrophobicContact CH2-CE3 3.23Å; W157-W171 AromaticContact CH2-CZ3 3.31Å; W157-W171 HydrophobicContact CH2-CZ3 3.31Å; W157-W171 HydrophobicContact CZ2-CD2 4.36Å; W157-W171 AromaticContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CE3 3.44Å; W157-W171 VanDerWaalsContact CZ2-CE3 3.44Å; W157-W171 HydrophobicContact CZ2-CZ3 4.04Å; W157-W171 AromaticContact CZ3-CE3 3.48Å; W157-W171 HydrophobicContact CZ3-CE3 3.48Å; W157-W171 VanDerWaalsContact CZ3-CE3 3.48Å; W157-W171 AromaticContact CZ3-CZ3 3.3Å; W157-W171 HydrophobicContact CZ3-CZ3 3.3Å; T167-W171 HydrophobicContact CG2-CD2 3.85Å; T167-W171 HydrophobicContact CG2-CE3 4.35Å; T167-W171 HydrophobicContact CG2-CG 4.17Å; T167-W171 HydrophobicContact CG2-CH2 4.47Å; T167-W171 HydrophobicContact CG2-CZ2 4.01Å; T167-W171 PolarHBondContact O-N 3.13Å; K168-W171 PolarHBondContact O-N 2.8Å; K168-W171 VanDerWaalsContact O-N 3.15Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3.33Å; W171-H175 PolarHBondContact O-N 2.89Å; W171-H175 VanDerWaalsContact O-N 3.09Å; W171-V176 HydrophobicContact CB-CB 4.02Å; W171-V176 HydrophobicContact CB-CG2 3.94Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.18Å; W171-V176 HydrophobicContact CG-CG1 4.41Å; W171-V176 HydrophobicContact CG-CG2 3.91Å; W171-V176 PolarHBondContact O-N 2.91Å
172E98.4Very high98.1Very high77 Ų7767.9 Ų67.936%0.3636%0.356SS..Hα-helixtrans-65.4-47.9171.8-73.317416200110.9K168 H169 A174 H175K168-E172 WeakPolarHBondContact CE-OE1 3.32Å; K168-E172 HydrophobicContact CG-CG 4.3Å; K168-E172 IonicContact NZ-OE1 2.67Å; K168-E172 WeakPolarHBondContact O-CB 3.35Å; K168-E172 WeakPolarHBondContact O-CG 3.47Å; K168-E172 PolarHBondContact O-N 2.87Å; H169-E172 IonicContact ND1-OE2 3.12Å; E172-A174 PolarHBondContact O-N 3.49Å; E172-H175 PolarHBondContact O-N 3.37Å; E172-H175 VanDerWaalsContact O-N 3.09Å
173A98.3Very high98.1Very high81 Ų8163.5 Ų63.567%0.66933%0.332SS*.Hα-helixtrans-62.6-30.1176.900000113.2H169H169-A173 WeakPolarHBondContact O-CB 3.27Å; H169-A173 PolarHBondContact O-N 2.83Å
174A98.1Very high98.2Very high57 Ų5763 Ų6347%0.47133%0.328SS..THydrogen-bonded Turntrans-92.65.9177.400000113.8K170 W171 E172 V176K170-A174 VanDerWaalsContact O-CB 3.31Å; K170-A174 WeakPolarHBondContact O-CB 3.35Å; K170-A174 PolarHBondContact O-N 3.25Å; W171-A174 CarbonylContact O-C 3.56Å; W171-A174 PolarHBondContact O-N 3.33Å; E172-A174 PolarHBondContact O-N 3.49Å; A174-V176 HydrophobicContact CB-CG2 3.99Å; A174-V176 PolarHBondContact O-N 3.35Å; A174-V176 VanDerWaalsContact O-N 3.15Å
175H97.5Very high98.2Very high113 Ų11366.7 Ų66.752%0.52335%0.345SS..THydrogen-bonded Turntrans52.734.1179.8-63.5-93.2000114.3W171 E172 A177 E178W171-H175 PolarHBondContact O-N 2.89Å; W171-H175 VanDerWaalsContact O-N 3.09Å; E172-H175 PolarHBondContact O-N 3.37Å; E172-H175 VanDerWaalsContact O-N 3.09Å; H175-A177 PolarHBondContact O-N 3.16Å; H175-E178 HydrophobicContact CB-CG 4.48Å; H175-E178 IonicContact CE1-OE1 2.72Å; H175-E178 IonicContact CG-OE1 2.87Å; H175-E178 IonicContact ND1-OE1 3.2Å; H175-E178 PolarHBondContact ND1-OE1 2.85Å; H175-E178 PolarHBondContact O-N 2.66Å; H175-E178 VanDerWaalsContact O-N 3.12Å
176V98.2Very high98.2Very high30 Ų3065.1 Ų65.118%0.18234%0.344CS..Hα-helixtrans-60.1-33.7-174.7175.80000112.1W157 W171 A174 E178 Q179 L180W157-V176 HydrophobicContact CZ2-CB 4.34Å; W157-V176 HydrophobicContact CZ2-CG1 4.12Å; W171-V176 HydrophobicContact CB-CB 4.02Å; W171-V176 HydrophobicContact CB-CG2 3.94Å; W171-V176 HydrophobicContact CD2-CG1 4.28Å; W171-V176 HydrophobicContact CE3-CG1 4.47Å; W171-V176 HydrophobicContact CG-CB 4.18Å; W171-V176 HydrophobicContact CG-CG1 4.41Å; W171-V176 HydrophobicContact CG-CG2 3.91Å; W171-V176 PolarHBondContact O-N 2.91Å; A174-V176 HydrophobicContact CB-CG2 3.99Å; A174-V176 PolarHBondContact O-N 3.35Å; A174-V176 VanDerWaalsContact O-N 3.15Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 2.72Å; V176-Q179 PolarHBondContact O-N 3.12Å; V176-L180 HydrophobicContact CG1-CD1 3.84Å; V176-L180 HydrophobicContact CG1-CG 4.22Å; V176-L180 WeakPolarHBondContact O-CG 3.37Å; V176-L180 PolarHBondContact O-N 2.73Å; V176-L180 VanDerWaalsContact O-N 3.14Å
177A98.4Very high98.2Very high9 Ų965.1 Ų65.17%0.07434%0.344CS..Hα-helixtrans-60.6-35.2179.500000112.7L150 W157 H175 L180 R181L150-A177 HydrophobicContact CD1-CB 4.03Å; W157-A177 HydrophobicContact CZ2-CB 4.21Å; H175-A177 PolarHBondContact O-N 3.16Å; A177-L180 PolarHBondContact O-N 3.2Å; A177-R181 VanDerWaalsContact O-CB 3.24Å; A177-R181 WeakPolarHBondContact O-CB 3.13Å; A177-R181 PolarHBondContact O-N 3.07Å
178E97.8Very high98.2Very high125 Ų12564.3 Ų64.358%0.58434%0.339SS*.Hα-helixtrans-66.3-42.2-179.3-64.7174.9-158.200111.6H175 V176 R181 A182H175-E178 HydrophobicContact CB-CG 4.48Å; H175-E178 IonicContact CE1-OE1 2.72Å; H175-E178 IonicContact CG-OE1 2.87Å; H175-E178 IonicContact ND1-OE1 3.2Å; H175-E178 PolarHBondContact ND1-OE1 2.85Å; H175-E178 PolarHBondContact O-N 2.66Å; H175-E178 VanDerWaalsContact O-N 3.12Å; V176-E178 VanDerWaalsContact C-N 3.27Å; V176-E178 PolarHBondContact O-N 2.72Å; E178-R181 PolarHBondContact O-N 2.86Å; E178-A182 PolarHBondContact O-N 3.32Å
179Q96.9Very high98.2Very high143 Ų14362.6 Ų62.667%0.66833%0.332SS*.Hα-helixtrans-65.5-43.6176.6-63.2-179.7-4.400111.6V176 A182 Y183V176-Q179 PolarHBondContact O-N 3.12Å; Q179-A182 PolarHBondContact O-N 2.88Å; Q179-Y183 PolarHBondContact O-N 2.9Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å
180L98.1Very high98.2Very high21 Ų2163.1 Ų63.111%0.1134%0.335CS..Hα-helixtrans-65.3-42.1177.9-68.5173.8000111.4H138 L150 W157 V176 A177 A182 Y183 L184H138-L180 HydrophobicContact CB-CD1 4.36Å; H138-L180 VanDerWaalsContact CE1-CD1 3.5Å; H138-L180 WeakPolarHBondContact CE1-CD1 3.44Å; L150-L180 HydrophobicContact CD2-CB 4.37Å; W157-L180 HydrophobicContact CH2-CD1 3.42Å; W157-L180 VanDerWaalsContact CH2-CD1 3.42Å; W157-L180 HydrophobicContact CZ2-CD1 3.88Å; V176-L180 HydrophobicContact CG1-CD1 3.84Å; V176-L180 HydrophobicContact CG1-CG 4.22Å; V176-L180 WeakPolarHBondContact O-CG 3.37Å; V176-L180 PolarHBondContact O-N 2.73Å; V176-L180 VanDerWaalsContact O-N 3.14Å; A177-L180 PolarHBondContact O-N 3.2Å; L180-A182 PolarHBondContact O-N 3.15Å; L180-Y183 PolarHBondContact O-N 3.28Å; L180-L184 WeakPolarHBondContact O-CB 3.43Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 3.3Å
181R98.4Very high98.2Very high75 Ų7560.4 Ų60.428%0.28332%0.321SS..Hα-helixtrans-58.9-46.5175.8-177.1173.4-178.9-136.8-15.2111.7L154 A177 E178 Y183 L184 E185L154-R181 HydrophobicContact CB-CB 4.09Å; L154-R181 HydrophobicContact CB-CG 3.89Å; L154-R181 HydrophobicContact CD1-CG 4.04Å; A177-R181 VanDerWaalsContact O-CB 3.24Å; A177-R181 WeakPolarHBondContact O-CB 3.13Å; A177-R181 PolarHBondContact O-N 3.07Å; E178-R181 PolarHBondContact O-N 2.86Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.84Å; R181-L184 PolarHBondContact O-N 2.98Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 IonicContact CZ-OE1 3.15Å; R181-E185 IonicContact CZ-OE2 3.02Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 3.05Å; R181-E185 PolarHBondContact NE-OE1 3.13Å; R181-E185 IonicContact NE-OE2 2.9Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 2.74Å; R181-E185 PolarHBondContact NH2-OE1 3.24Å; R181-E185 IonicContact NH2-OE2 3.69Å; R181-E185 PolarHBondContact NH2-OE2 3.1Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 PolarHBondContact O-N 2.87Å
182A98.4Very high98.2Very high65 Ų6557.8 Ų57.854%0.53731%0.311SS..Hα-helixtrans-59.2-41.4177.100000112.4E178 Q179 L180 G186E178-A182 PolarHBondContact O-N 3.32Å; Q179-A182 PolarHBondContact O-N 2.88Å; L180-A182 PolarHBondContact O-N 3.15Å; A182-G186 PolarHBondContact O-N 3Å; A182-G186 VanDerWaalsContact O-N 3.15Å
183Y98.3Very high98.1Very high63 Ų6359.3 Ų59.325%0.24731%0.314CS..Iπ-helixtrans-66-46.7174.5171.3-96.9000112.4Y123 Q179 L180 R181 T187 C188Y123-Y183 AromaticContact CD2-CE1 3.88Å; Y123-Y183 HydrophobicContact CD2-CE1 3.88Å; Y123-Y183 AromaticContact CE2-CE1 3.72Å; Y123-Y183 HydrophobicContact CE2-CE1 3.72Å; Y123-Y183 AromaticContact CE2-CZ 3.99Å; Q179-Y183 PolarHBondContact O-N 2.9Å; Q179-Y183 VanDerWaalsContact O-N 3.13Å; L180-Y183 PolarHBondContact O-N 3.28Å; R181-Y183 VanDerWaalsContact C-N 3.31Å; R181-Y183 PolarHBondContact O-N 2.84Å; Y183-T187 HydrophobicContact CD2-CG2 3.98Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.05Å; Y183-T187 VanDerWaalsContact O-N 3.16Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.39Å; Y183-C188 PolarHBondContact O-N 2.84Å
184L98.6Very high98Very high1 Ų161.2 Ų61.21%0.00530%0.303CS..Iπ-helixtrans-70-42.2-173.8-70.6171.6000112.7G124 F133 L150 L154 L180 R181G124-L184 WeakPolarHBondContact O-CD2 3.47Å; F133-L184 HydrophobicContact CE2-CB 4.47Å; F133-L184 WeakPolarHBondContact CE2-O 3.44Å; L150-L184 HydrophobicContact CD2-CD1 3.97Å; L154-L184 HydrophobicContact CD2-CD1 4.11Å; L180-L184 WeakPolarHBondContact O-CB 3.43Å; L180-L184 WeakPolarHBondContact O-CG 3.42Å; L180-L184 PolarHBondContact O-N 3.3Å; R181-L184 PolarHBondContact O-N 2.98Å
185E98.3Very high98Very high76 Ų7658.5 Ų58.536%0.35528%0.281SS..Iπ-helixtrans-78.5-24.4178.7-67.7-178.8170.500112.5F133 L154 R181F133-E185 HydrophobicContact CD1-CG 4.15Å; F133-E185 HydrophobicContact CE1-CG 3.99Å; F133-E185 HydrophobicContact CE2-CG 4.38Å; F133-E185 HydrophobicContact CG-CG 4.41Å; F133-E185 HydrophobicContact CZ-CG 4.11Å; L154-E185 HydrophobicContact CD1-CG 3.95Å; R181-E185 HydrophobicContact CG-CG 4.14Å; R181-E185 IonicContact CZ-OE1 3.15Å; R181-E185 IonicContact CZ-OE2 3.02Å; R181-E185 VanDerWaalsContact NE-CD 3.34Å; R181-E185 IonicContact NE-OE1 3.05Å; R181-E185 PolarHBondContact NE-OE1 3.13Å; R181-E185 IonicContact NE-OE2 2.9Å; R181-E185 PolarHBondContact NE-OE2 2.86Å; R181-E185 IonicContact NH2-OE1 2.74Å; R181-E185 PolarHBondContact NH2-OE1 3.24Å; R181-E185 IonicContact NH2-OE2 3.69Å; R181-E185 PolarHBondContact NH2-OE2 3.1Å; R181-E185 WeakPolarHBondContact O-CB 3.42Å; R181-E185 PolarHBondContact O-N 2.87Å
186G98.1Very high97.9Very high23 Ų2353.1 Ų53.124%0.23726%0.256CS..Iπ-helixtrans-108.3-92.7-177.400000112.9A182 C188 V189 E190A182-G186 PolarHBondContact O-N 3Å; A182-G186 VanDerWaalsContact O-N 3.15Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.82Å; G186-C188 VanDerWaalsContact O-N 3.16Å; G186-V189 PolarHBondContact O-N 2.89Å; G186-E190 PolarHBondContact O-N 2.74Å
187T98.1Very high97.8Very high57 Ų5757.5 Ų57.535%0.3527%0.274SS..Iπ-helixtrans-52.5-41.5-170.9-56.50000113.6Y183 V189 E190 W191Y183-T187 HydrophobicContact CD2-CG2 3.98Å; Y183-T187 HydrophobicContact CE2-CG2 3.84Å; Y183-T187 PolarHBondContact O-N 3.05Å; Y183-T187 VanDerWaalsContact O-N 3.16Å; T187-V189 PolarHBondContact O-N 3.01Å; T187-E190 PolarHBondContact O-N 3.17Å; T187-W191 PolarHBondContact O-N 2.84Å
188C98.6Very high97.7Very high0 Ų059.4 Ų59.40%028%0.284CS..Hα-helixtrans-60.3-46.9178.3-174.80000111.6M29 C125 Y183 G186 W191 L192M29-C188 HydrophobicContact CE-CB 4.19Å; M29-C188 WeakPolarHBondContact CE-O 3.38Å; M29-C188 WeakPolarHBondContact CE-SG 3.35Å; C125-C188 HydrophobicContact CB-CB 3.9Å; C125-C188 WeakPolarHBondContact CB-SG 3.5Å; C125-C188 PolarHBondContact N-SG 2.69Å; C125-C188 WeakPolarHBondContact SG-CB 3.42Å; C125-C188 CovalentContact SG-SG 2.04Å; C125-C188 PolarHBondContact SG-SG 2.91Å; Y183-C188 HydrophobicContact CD1-CB 4.37Å; Y183-C188 HydrophobicContact CE1-CB 3.94Å; Y183-C188 WeakPolarHBondContact O-CB 3.39Å; Y183-C188 PolarHBondContact O-N 2.84Å; G186-C188 VanDerWaalsContact C-N 3.29Å; G186-C188 PolarHBondContact O-N 2.82Å; G186-C188 VanDerWaalsContact O-N 3.16Å; C188-W191 PolarHBondContact O-N 2.96Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 3.46Å
189V98.4Very high97.7Very high7 Ų753.7 Ų53.74%0.04226%0.258CS..Hα-helixtrans-65.9-41.1179.1173.40000111.2C125 V127 F133 G186 T187 L192 R193C125-V189 HydrophobicContact CB-CG2 4.48Å; V127-V189 HydrophobicContact CG1-CB 4.36Å; V127-V189 HydrophobicContact CG1-CG1 3.86Å; V127-V189 HydrophobicContact CG1-CG2 3.99Å; F133-V189 HydrophobicContact CB-CG2 4.08Å; F133-V189 HydrophobicContact CD2-CG2 3.73Å; F133-V189 HydrophobicContact CG-CG2 4.4Å; G186-V189 PolarHBondContact O-N 2.89Å; T187-V189 PolarHBondContact O-N 3.01Å; V189-L192 PolarHBondContact O-N 2.8Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 3.16Å
190E98.1Very high97.5Very high128 Ų12852 Ų5260%0.59825%0.249SC*.Hα-helixtrans-60.7-46.9177.2-70.2173172.600111.9G186 T187 R193 R194G186-E190 PolarHBondContact O-N 2.74Å; T187-E190 PolarHBondContact O-N 3.17Å; E190-R193 PolarHBondContact O-N 3.23Å; E190-R194 PolarHBondContact O-N 2.98Å; E190-R194 VanDerWaalsContact O-N 3.09Å
191W98.2Very high97.3Very high63 Ų6359.6 Ų59.624%0.23928%0.283CS..Hα-helixtrans-67.4-42.3177.1-82107.6000112.5M29 Y83 T187 C188 R193 R194 Y195M29-W191 HydrophobicContact CE-CB 4.03Å; M29-W191 HydrophobicContact SD-CB 4.43Å; Y83-W191 AromaticContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CH2 3.52Å; Y83-W191 HydrophobicContact CD2-CZ2 4.21Å; Y83-W191 AromaticContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CD2-CZ3 3.88Å; Y83-W191 HydrophobicContact CE2-CE3 4.33Å; Y83-W191 AromaticContact CE2-CH2 3.77Å; Y83-W191 HydrophobicContact CE2-CH2 3.77Å; Y83-W191 HydrophobicContact CE2-CZ2 4.36Å; Y83-W191 AromaticContact CE2-CZ3 3.74Å; Y83-W191 HydrophobicContact CE2-CZ3 3.74Å; T187-W191 PolarHBondContact O-N 2.84Å; C188-W191 PolarHBondContact O-N 2.96Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 3.13Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 2.81Å; W191-R194 VanDerWaalsContact O-N 3.15Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CE3-CD1 4.38Å; W191-Y195 AromaticContact CE3-CE1 3.45Å; W191-Y195 HydrophobicContact CE3-CE1 3.45Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.45Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.46Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.87Å
192L98.4Very high97Very high0 Ų058.1 Ų58.10%028%0.283CS..Hα-helixtrans-58.3-44.9176.5177.350.4000111.2H27 M29 V52 V127 C188 V189 R194 Y195 L196H27-L192 HydrophobicContact CB-CD1 4.49Å; M29-L192 HydrophobicContact CB-CB 4.14Å; M29-L192 HydrophobicContact CB-CD1 3.99Å; M29-L192 HydrophobicContact CB-CD2 4.11Å; M29-L192 HydrophobicContact CB-CG 4.29Å; M29-L192 HydrophobicContact CE-CB 4.39Å; V52-L192 HydrophobicContact CG1-CD1 3.62Å; V52-L192 HydrophobicContact CG2-CD1 4.22Å; V127-L192 HydrophobicContact CB-CD2 4.41Å; V127-L192 HydrophobicContact CG1-CD2 3.98Å; V127-L192 HydrophobicContact CG2-CD2 3.7Å; V127-L192 HydrophobicContact CG2-CG 4.25Å; C188-L192 WeakPolarHBondContact O-CB 3.44Å; C188-L192 PolarHBondContact O-N 3.46Å; V189-L192 PolarHBondContact O-N 2.8Å; L192-R194 PolarHBondContact O-N 3.22Å; L192-Y195 PolarHBondContact O-N 3.24Å; L192-L196 HydrophobicContact CD1-CD1 3.46Å; L192-L196 VanDerWaalsContact CD1-CD1 3.46Å; L192-L196 HydrophobicContact CD1-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 3.71Å; L192-L196 WeakPolarHBondContact O-CB 3.36Å; L192-L196 WeakPolarHBondContact O-CD1 3.31Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3Å
193R96.7Very high96.7Very high109 Ų10955.2 Ų55.241%0.41126%0.258SS..Hα-helixtrans-59.9-44.7174.7-73173.8-177.2179.92.5112.2W131 V189 E190 W191 L196 E197W131-R193 HydrophobicContact CE3-CG 4.03Å; W131-R193 VanDerWaalsContact O-CZ 3.29Å; W131-R193 PolarHBondContact O-NE 3.2Å; W131-R193 VanDerWaalsContact O-NE 3.07Å; W131-R193 PolarHBondContact O-NH2 2.96Å; V189-R193 VanDerWaalsContact O-CG 3.31Å; V189-R193 WeakPolarHBondContact O-CG 3.47Å; V189-R193 PolarHBondContact O-N 3.16Å; E190-R193 PolarHBondContact O-N 3.23Å; W191-R193 VanDerWaalsContact C-N 3.32Å; W191-R193 PolarHBondContact O-N 3.13Å; R193-L196 PolarHBondContact O-N 3.33Å; R193-E197 PolarHBondContact O-N 2.87Å
194R97.1Very high96.4Very high120 Ų12055.4 Ų55.445%0.45326%0.261SS..Hα-helixtrans-60.4-45.3176.5178.9178.9173.4114.2-5.9111.5E79 E190 W191 L192 E197 N198E79-R194 IonicContact OE1-CZ 2.73Å; E79-R194 IonicContact OE1-NE 3.03Å; E79-R194 PolarHBondContact OE1-NE 2.97Å; E79-R194 IonicContact OE1-NH2 3.42Å; E79-R194 PolarHBondContact OE1-NH2 3.19Å; E79-R194 VanDerWaalsContact OE1-NH2 3.17Å; E79-R194 IonicContact OE2-CZ 3.35Å; E79-R194 IonicContact OE2-NE 3.26Å; E79-R194 IonicContact OE2-NH2 3.35Å; E79-R194 PolarHBondContact OE2-NH2 3.25Å; E190-R194 PolarHBondContact O-N 2.98Å; E190-R194 VanDerWaalsContact O-N 3.09Å; W191-R194 WeakPolarHBondContact O-CB 3.3Å; W191-R194 PolarHBondContact O-N 2.81Å; W191-R194 VanDerWaalsContact O-N 3.15Å; L192-R194 PolarHBondContact O-N 3.22Å; R194-E197 PolarHBondContact O-N 3.18Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.43Å; R194-N198 PolarHBondContact O-N 3.28Å; R194-N198 PolarHBondContact O-OD1 2.69Å
195Y97.7Very high96.2Very high1 Ų158.9 Ų58.90%0.00427%0.274CS..Hα-helixtrans-66.1-38.8178.9-61.7-27.1000112.5M29 V52 F57 W75 I76 Y83 W191 L192 E197 N198 G199 L203M29-Y195 HydrophobicContact SD-CD2 3.67Å; M29-Y195 HydrophobicContact SD-CE2 3.48Å; M29-Y195 WeakPolarHBondContact SD-CE2 3.3Å; V52-Y195 HydrophobicContact CG2-CD2 3.97Å; V52-Y195 HydrophobicContact CG2-CG 4.47Å; F57-Y195 HydrophobicContact CE2-CD2 4.1Å; F57-Y195 AromaticContact CE2-CE2 3.58Å; F57-Y195 HydrophobicContact CE2-CE2 3.58Å; F57-Y195 AromaticContact CE2-CZ 3.88Å; F57-Y195 HydrophobicContact CZ-CD2 4.14Å; F57-Y195 AromaticContact CZ-CE2 3.69Å; F57-Y195 HydrophobicContact CZ-CE2 3.69Å; W75-Y195 HydrophobicContact CH2-CG 4.28Å; W75-Y195 AromaticContact CZ3-CD1 3.87Å; W75-Y195 HydrophobicContact CZ3-CD1 3.87Å; W75-Y195 HydrophobicContact CZ3-CD2 4.49Å; W75-Y195 AromaticContact CZ3-CG 3.76Å; W75-Y195 HydrophobicContact CZ3-CG 3.76Å; I76-Y195 HydrophobicContact CD1-CD1 3.74Å; I76-Y195 HydrophobicContact CD1-CE1 3.33Å; Y83-Y195 VanDerWaalsContact CE2-OH 3.31Å; Y83-Y195 WeakPolarHBondContact CE2-OH 3.38Å; Y83-Y195 PolarHBondContact OH-OH 2.8Å; W191-Y195 HydrophobicContact CB-CE2 4.04Å; W191-Y195 HydrophobicContact CE3-CD1 4.38Å; W191-Y195 AromaticContact CE3-CE1 3.45Å; W191-Y195 HydrophobicContact CE3-CE1 3.45Å; W191-Y195 VanDerWaalsContact CE3-CE1 3.45Å; W191-Y195 HydrophobicContact CE3-CE2 4.36Å; W191-Y195 AromaticContact CE3-CZ 3.43Å; W191-Y195 VanDerWaalsContact CE3-CZ 3.43Å; W191-Y195 AromaticContact CZ3-CE1 3.87Å; W191-Y195 HydrophobicContact CZ3-CE1 3.87Å; W191-Y195 WeakPolarHBondContact O-CD2 3.46Å; W191-Y195 VanDerWaalsContact O-CG 3.24Å; W191-Y195 PolarHBondContact O-N 2.87Å; L192-Y195 PolarHBondContact O-N 3.24Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 3.14Å; Y195-N198 PolarHBondContact O-N 3.1Å; Y195-G199 WeakPolarHBondContact O-CA 3.45Å; Y195-G199 PolarHBondContact O-N 3.44Å; Y195-L203 WeakPolarHBondContact O-CD1 3.3Å
196L95.9Very high96Very high0 Ų058.6 Ų58.60%028%0.278CS..Hα-helixtrans-66.9-32.8176.6-74.7163.2000112.7H27 V52 W131 L192 R193 K200 L203 Q204H27-L196 HydrophobicContact CB-CD1 3.43Å; H27-L196 VanDerWaalsContact CB-CD1 3.43Å; H27-L196 HydrophobicContact CB-CD2 4.13Å; H27-L196 HydrophobicContact CB-CG 4.42Å; H27-L196 WeakPolarHBondContact ND1-CD2 3.47Å; V52-L196 HydrophobicContact CG1-CD2 3.97Å; V52-L196 HydrophobicContact CG1-CG 4.26Å; W131-L196 HydrophobicContact CE3-CD1 4.19Å; W131-L196 HydrophobicContact CH2-CB 3.95Å; W131-L196 HydrophobicContact CH2-CD1 4.1Å; W131-L196 HydrophobicContact CZ3-CB 3.64Å; W131-L196 HydrophobicContact CZ3-CD1 3.34Å; W131-L196 HydrophobicContact CZ3-CG 4.05Å; L192-L196 HydrophobicContact CD1-CD1 3.46Å; L192-L196 VanDerWaalsContact CD1-CD1 3.46Å; L192-L196 HydrophobicContact CD1-CG 3.9Å; L192-L196 HydrophobicContact CG-CD1 3.71Å; L192-L196 WeakPolarHBondContact O-CB 3.36Å; L192-L196 WeakPolarHBondContact O-CD1 3.31Å; L192-L196 VanDerWaalsContact O-CG 3.3Å; L192-L196 WeakPolarHBondContact O-CG 3.49Å; L192-L196 PolarHBondContact O-N 3Å; R193-L196 PolarHBondContact O-N 3.33Å; L196-K200 WeakPolarHBondContact O-CA 3.13Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.43Å; L196-K200 VanDerWaalsContact O-N 3.13Å; L196-L203 HydrophobicContact CD2-CB 3.87Å; L196-L203 HydrophobicContact CD2-CD1 4.15Å; L196-Q204 HydrophobicContact CD2-CG 4.34Å; L196-Q204 PolarHBondContact O-NE2 3.26Å
197E95.8Very high95.8Very high121 Ų12160 Ų6057%0.56528%0.28SS*.Hα-helixtrans-71.9-49.1171.7-171.760-15300111R193 R194 Y195 G199 K200R193-E197 PolarHBondContact O-N 2.87Å; R194-E197 PolarHBondContact O-N 3.18Å; Y195-E197 VanDerWaalsContact C-N 3.32Å; Y195-E197 PolarHBondContact O-N 3.14Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 2.91Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 2.88Å
198N96.8Very high95.8Very high50 Ų5059.5 Ų59.527%0.26728%0.282SS..Hα-helixtrans-58.7-39.4178.9-793.6000113.1W75 Q78 E79 R194 Y195W75-N198 WeakPolarHBondContact CB-O 3.29Å; Q78-N198 PolarHBondContact NE2-ND2 3.49Å; E79-N198 PolarHBondContact OE1-ND2 2.77Å; R194-N198 VanDerWaalsContact O-CB 3.26Å; R194-N198 WeakPolarHBondContact O-CB 3.43Å; R194-N198 PolarHBondContact O-N 3.28Å; R194-N198 PolarHBondContact O-OD1 2.69Å; Y195-N198 PolarHBondContact O-N 3.1Å
199G96Very high95.8Very high4 Ų459.9 Ų59.94%0.04128%0.284CS..THydrogen-bonded Turntrans-104.918.6-176.500000113.8Y195 E197 E201 T202 L203Y195-G199 WeakPolarHBondContact O-CA 3.45Å; Y195-G199 PolarHBondContact O-N 3.44Å; E197-G199 VanDerWaalsContact C-N 3.3Å; E197-G199 PolarHBondContact O-N 2.91Å; G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 3.35Å; G199-E201 VanDerWaalsContact O-N 3.14Å; G199-T202 PolarHBondContact O-N 2.84Å; G199-L203 PolarHBondContact O-N 2.72Å
200K94.2Very high95.8Very high109 Ų10966.4 Ų66.447%0.47431%0.312SS..Hα-helixtrans-48.5-44.9-170.9-177.4172.7-174.8172.30114.3L196 E197 T202 Q204L196-K200 WeakPolarHBondContact O-CA 3.13Å; L196-K200 WeakPolarHBondContact O-CB 3.47Å; L196-K200 PolarHBondContact O-N 3.43Å; L196-K200 VanDerWaalsContact O-N 3.13Å; E197-K200 WeakPolarHBondContact O-CB 3.41Å; E197-K200 PolarHBondContact O-N 2.88Å; K200-T202 PolarHBondContact O-N 2.73Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 2.92Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
201E92.8Very high95.7Very high179 Ų17962.1 Ų62.184%0.83629%0.294SS*.Hα-helixtrans-65-22.7-179.8-62.2-175.7166.300113.8G199G199-E201 VanDerWaalsContact C-N 3.29Å; G199-E201 PolarHBondContact O-N 3.35Å; G199-E201 VanDerWaalsContact O-N 3.14Å
202T92.6Very high95.6Very high45 Ų4563 Ų6328%0.27630%0.301SS..Hα-helixtrans-104.4-45.2-179-59.90000112.2G199 K200 R205G199-T202 PolarHBondContact O-N 2.84Å; K200-T202 PolarHBondContact O-N 2.73Å; T202-R205 WeakPolarHBondContact O-CG 3.48Å
203L93.2Very high95.4Very high3 Ų364.6 Ų64.62%0.01631%0.309CS..Hα-helixtrans-82.8-30.3-171.4-62.7172.3000112.8V52 T55 W75 Y195 L196 G199V52-L203 HydrophobicContact CB-CD1 4.23Å; V52-L203 HydrophobicContact CB-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CD1 3.89Å; V52-L203 HydrophobicContact CG1-CD2 4.09Å; V52-L203 HydrophobicContact CG1-CG 4.49Å; T55-L203 HydrophobicContact CG2-CD2 4.02Å; W75-L203 HydrophobicContact CD2-CD1 4.41Å; W75-L203 HydrophobicContact CH2-CD1 4.26Å; W75-L203 HydrophobicContact CZ2-CD1 3.81Å; W75-L203 HydrophobicContact CZ2-CD2 4.03Å; W75-L203 HydrophobicContact CZ2-CG 4.32Å; Y195-L203 WeakPolarHBondContact O-CD1 3.3Å; L196-L203 HydrophobicContact CD2-CB 3.87Å; L196-L203 HydrophobicContact CD2-CD1 4.15Å; G199-L203 PolarHBondContact O-N 2.72Å
204Q91.9Very high95.3Very high67 Ų6761 Ų6131%0.31330%0.299SS..SBendtrans-102.714.3179.4-56.5179.539.500112.1L196 K200L196-Q204 HydrophobicContact CD2-CG 4.34Å; L196-Q204 PolarHBondContact O-NE2 3.26Å; K200-Q204 WeakPolarHBondContact O-CB 3.4Å; K200-Q204 PolarHBondContact O-N 2.92Å; K200-Q204 VanDerWaalsContact O-N 3.16Å
205R93.1Very high95.2Very high75 Ų7558.3 Ų58.328%0.28329%0.292SS..  trans-82.1152.9173.386.1-174.9-179.5-138.9-8.8110.2T202 D207 Y233T202-R205 WeakPolarHBondContact O-CG 3.48Å; R205-D207 WeakPolarHBondContact CD-OD2 3.43Å; R205-D207 IonicContact CZ-OD2 3.91Å; R205-D207 IonicContact NE-OD2 3.27Å; R205-D207 PolarHBondContact NE-OD2 2.93Å; R205-D207 IonicContact NH2-OD2 3.09Å; R205-Y233 HydrophobicContact CG-CD1 4Å; R205-Y233 HydrophobicContact CG-CE1 4.46Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.23Å
206T93.6Very high95Very high70 Ų7062.7 Ų62.743%0.42931%0.312SS..  trans-128115.2170.846.30000108.9Y233 E288T206-Y233 WeakPolarHBondContact CA-O 3.48Å; T206-E288 HydrophobicContact CG2-CB 4.47Å; T206-E288 HydrophobicContact CG2-CG 4.01Å
207D95.6Very high94.7Very high53 Ų5366.4 Ų66.428%0.28334%0.342SS..BIsolated β-bridgetrans-102.5112.5178.8-61.6-42.9000108R205 F232 Y233 H287R205-D207 WeakPolarHBondContact CD-OD2 3.43Å; R205-D207 IonicContact CZ-OD2 3.91Å; R205-D207 IonicContact NE-OD2 3.27Å; R205-D207 PolarHBondContact NE-OD2 2.93Å; R205-D207 IonicContact NH2-OD2 3.09Å; D207-F232 WeakPolarHBondContact O-CA 3.36Å; D207-F232 WeakPolarHBondContact O-CB 3.44Å; D207-Y233 PolarHBondContact N-O 2.96Å; D207-Y233 PolarHBondContact O-N 2.75Å; D207-Y233 VanDerWaalsContact O-N 3.1Å; D207-H287 PolarHBondContact O-CE1 3.23Å; D207-H287 VanDerWaalsContact O-CE1 3.25Å
208A97.2Very high94.4Very high46 Ų4665 Ų6538%0.3834%0.342SS..  trans-66.3142-179.600000111.8K210 G289 L290A208-K210 PolarHBondContact O-N 3.15Å; A208-G289 WeakPolarHBondContact CB-O 3.42Å; A208-L290 HydrophobicContact CB-CD2 4.02Å
209P98Very high94.1Very high8 Ų865.1 Ų65.15%0.05235%0.347CS..  trans-64.7129.6179.326.8-34.7000112.1T211 A229 F232 I237 V285 H287 L290P209-T211 HydrophobicContact CB-CG2 4.1Å; P209-T211 HydrophobicContact CG-CG2 4.32Å; P209-T211 PolarHBondContact O-N 2.84Å; P209-A229 HydrophobicContact CB-CB 3.88Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.17Å; P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; P209-V285 HydrophobicContact CG-CG1 3.96Å; P209-H287 HydrophobicContact CG-CB 4.03Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.17Å
210K97.9Very high93.7Very high144 Ų14472.1 Ų72.163%0.62638%0.383SS*.EExtended strand (participates in β ladder)trans-75.8108.8164.4-65.4177-174.41680107.8A208 L230A208-K210 PolarHBondContact O-N 3.15Å; K210-L230 PolarHBondContact N-O 3.27Å; K210-L230 PolarHBondContact O-N 2.91Å
211T97.4Very high93.6Very high38 Ų3873.9 Ų73.923%0.23339%0.393CS..EExtended strand (participates in β ladder)trans-104.8143.6-174.957.10000112.1P209 W228 A229 V285 L294 L296P209-T211 HydrophobicContact CB-CG2 4.1Å; P209-T211 HydrophobicContact CG-CG2 4.32Å; P209-T211 PolarHBondContact O-N 2.84Å; T211-W228 WeakPolarHBondContact CA-O 3.35Å; T211-W228 WeakPolarHBondContact CB-O 3.42Å; T211-A229 HydrophobicContact CG2-CB 4.38Å; T211-V285 HydrophobicContact CG2-CB 4.5Å; T211-V285 HydrophobicContact CG2-CG1 4.24Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; T211-L294 HydrophobicContact CG2-CD1 4.32Å; T211-L296 HydrophobicContact CG2-CD1 4.08Å
212H94.8Very high93.7Very high80 Ų8069.8 Ų69.837%0.3737%0.374SS..EExtended strand (participates in β ladder)trans-155164170.968.2-79000110.1W228H212-W228 AromaticContact CD2-CD1 3.9Å; H212-W228 WeakPolarHBondContact CE1-CB 3.4Å; H212-W228 AromaticContact CE1-CD1 3.79Å; H212-W228 AromaticContact CE1-CG 3.48Å; H212-W228 VanDerWaalsContact CE1-CG 3.48Å; H212-W228 PolarHBondContact N-O 3.35Å; H212-W228 AromaticContact NE2-CD1 3.38Å; H212-W228 AromaticContact NE2-CG 3.56Å; H212-W228 AromaticContact NE2-NE1 3.96Å; H212-W228 PolarHBondContact O-N 2.87Å
213M95.4Very high93.8Very high35 Ų3567.6 Ų67.617%0.17236%0.36CS..EExtended strand (participates in β ladder)trans-112.6143.3175-77-166.5166.200111.3R226 W241 C283 L296 W298M213-R226 WeakPolarHBondContact CA-O 3.37Å; M213-W241 HydrophobicContact CE-CH2 3.17Å; M213-W241 HydrophobicContact CE-CZ2 3.97Å; M213-W241 HydrophobicContact CE-CZ3 3.61Å; M213-W241 HydrophobicContact SD-CH2 4.04Å; M213-C283 HydrophobicContact CE-CB 3.38Å; M213-L296 HydrophobicContact CE-CB 3.74Å; M213-L296 VanDerWaalsContact CE-O 3.24Å; M213-L296 WeakPolarHBondContact CE-O 3.49Å; M213-L296 HydrophobicContact SD-CB 4.47Å; M213-W298 WeakPolarHBondContact SD-CA 3.31Å; M213-W298 HydrophobicContact SD-CB 3.85Å; M213-W298 PolarHBondContact SD-N 3.45Å
214T94.6Very high93.9Very high34 Ų3468.5 Ų68.521%0.20937%0.366CS..EExtended strand (participates in β ladder)trans-119.6141.5170.451.10000109R226 W228T214-R226 PolarHBondContact N-O 3.36Å; T214-R226 PolarHBondContact O-N 2.97Å; T214-R226 WeakPolarHBondContact OG1-CB 3.08Å; T214-R226 PolarHBondContact OG1-O 2.85Å; T214-W228 PolarHBondContact OG1-NE1 3.19Å; T214-W228 VanDerWaalsContact OG1-NE1 3.07Å
215H94.4Very high94.2Very high63 Ų6365.3 Ų65.329%0.29235%0.351SS..EExtended strand (participates in β ladder)trans-120.9127.6177.9165.2-78.5000108.5A223 T224 L225 W298H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H215-T224 WeakPolarHBondContact CA-O 3.46Å; H215-L225 HydrophobicContact CB-CD2 4.03Å; H215-W298 HydrophobicContact CB-CZ2 4.09Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CD2-CE2 3.93Å; H215-W298 AromaticContact CD2-CZ2 3.82Å; H215-W298 AromaticContact CG-CE2 3.87Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact CG-NE1 3.96Å
216H93.1Very high94.4Very high92 Ų9264 Ų6443%0.42635%0.346SS..EExtended strand (participates in β ladder)trans-128113.8177.9-61.3-73.5000109.2V218 A223 T224 R226H216-V218 PolarHBondContact O-N 2.87Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 VanDerWaalsContact O-CA 3.3Å; H216-A223 WeakPolarHBondContact O-CA 3.42Å; H216-T224 PolarHBondContact N-O 3.44Å; H216-T224 PolarHBondContact O-N 3.3Å; H216-R226 PolarHBondContact CD2-NH1 2.85Å; H216-R226 PolarHBondContact NE2-NH1 3.05Å
217A91.4Very high94.6Very high78 Ų7860.7 Ų60.765%0.64533%0.326SS*.EExtended strand (participates in β ladder)trans-66126.4172.100000109.3
218V88.3Confident94.8Very high93 Ų9360.4 Ų60.456%0.56432%0.321SS*.  trans-98-40.2177.3-179.20000109.7H216 E222 T224H216-V218 PolarHBondContact O-N 2.87Å; V218-E222 PolarHBondContact N-O 2.86Å; V218-T224 VanDerWaalsContact CG2-OG1 3.29Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.26Å
219S90.1Very high94.8Very high52 Ų5258.2 Ų58.236%0.36430%0.303SS..SBendtrans-148.2-179.1174.371.20000110.4H221 E222S219-H221 PolarHBondContact O-N 2.82Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 2.62Å; S219-E222 PolarHBondContact N-O 3.06Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3.03Å
220D87.9Confident94.8Very high151 Ų15160.1 Ų60.181%0.80731%0.312SS*.SBendtrans-65.7-10.2172.6-64.8-22.3000113.3
221H92Very high94.8Very high145 Ų14555.2 Ų55.267%0.67130%0.296SS*.SBendtrans-116.4-15-176.1-57-41.6000113.5S219 P274 S275S219-H221 PolarHBondContact O-N 2.82Å; S219-H221 VanDerWaalsContact O-N 3.15Å; S219-H221 PolarHBondContact OG-N 2.62Å; H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.45Å; H221-S275 PolarHBondContact O-N 3.15Å; H221-S275 PolarHBondContact O-OG 2.84Å
222E94.5Very high94.8Very high93 Ų9353.4 Ų53.444%0.43529%0.285SS..EExtended strand (participates in β ladder)trans-142.4142.9-171.8-66.4-178.3165.700112.3V218 S219 V272 V273 S275V218-E222 PolarHBondContact N-O 2.86Å; S219-E222 PolarHBondContact N-O 3.06Å; S219-E222 VanDerWaalsContact O-O 3.08Å; S219-E222 PolarHBondContact OG-N 3.03Å; E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; E222-V273 WeakPolarHBondContact CA-O 3.41Å; E222-S275 PolarHBondContact N-OG 3.43Å
223A94.8Very high94.9Very high0 Ų049.7 Ų49.70%027%0.268CS..EExtended strand (participates in β ladder)trans-130.9153.3171.100000110.6H215 H216 V272 V273H215-A223 WeakPolarHBondContact NE2-CB 3.49Å; H216-A223 CarbonylContact O-C 3.54Å; H216-A223 VanDerWaalsContact O-CA 3.3Å; H216-A223 WeakPolarHBondContact O-CA 3.42Å; A223-V272 WeakPolarHBondContact O-CA 2.99Å; A223-V273 HydrophobicContact CB-CG2 4.38Å; A223-V273 PolarHBondContact N-O 3.01Å; A223-V273 WeakPolarHBondContact O-CG2 3.23Å; A223-V273 PolarHBondContact O-N 3.23Å
224T96.8Very high94.8Very high21 Ų2149 Ų4913%0.12927%0.266CS..EExtended strand (participates in β ladder)trans-96.7121.5168.8-54.20000109H215 H216 V218 A270 V271H215-T224 WeakPolarHBondContact CA-O 3.46Å; H216-T224 PolarHBondContact N-O 3.44Å; H216-T224 PolarHBondContact O-N 3.3Å; V218-T224 VanDerWaalsContact CG2-OG1 3.29Å; V218-T224 WeakPolarHBondContact CG2-OG1 3.26Å; T224-A270 HydrophobicContact CG2-CB 3.94Å; T224-V271 WeakPolarHBondContact CA-O 3.38Å
225L97.3Very high94.9Very high0 Ų048 Ų480%026%0.261CS..EExtended strand (participates in β ladder)trans-94.5126.8165.7-63.7-178.3000108.7H215 W241 A270 V271 V273 E278 W298H215-L225 HydrophobicContact CB-CD2 4.03Å; L225-W241 HydrophobicContact CB-CH2 3.57Å; L225-W241 HydrophobicContact CB-CZ2 3.84Å; L225-W241 HydrophobicContact CB-CZ3 4.42Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-W241 HydrophobicContact CG-CH2 4.46Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.4Å; L225-V271 HydrophobicContact CB-CG1 4.33Å; L225-V271 PolarHBondContact N-O 3.01Å; L225-V271 PolarHBondContact O-N 3.32Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.02Å; L225-V273 HydrophobicContact CG-CG1 4.23Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; L225-E278 HydrophobicContact CD1-CB 4.05Å; L225-E278 HydrophobicContact CD1-CG 4.4Å; L225-E278 HydrophobicContact CD2-CB 4.5Å; L225-E278 HydrophobicContact CD2-CG 4.27Å; L225-W298 HydrophobicContact CD1-CB 4.33Å; L225-W298 HydrophobicContact CD2-CB 3.91Å; L225-W298 HydrophobicContact CD2-CD2 4.28Å; L225-W298 HydrophobicContact CD2-CG 3.83Å
226R97.8Very high95Very high49 Ų4951.9 Ų51.919%0.18528%0.279CS..EExtended strand (participates in β ladder)trans-123.1122176179.5-175.3-58.5111.7-0.2110.4M213 T214 H216 W228 W268 A269 A270M213-R226 WeakPolarHBondContact CA-O 3.37Å; T214-R226 PolarHBondContact N-O 3.36Å; T214-R226 PolarHBondContact O-N 2.97Å; T214-R226 WeakPolarHBondContact OG1-CB 3.08Å; T214-R226 PolarHBondContact OG1-O 2.85Å; H216-R226 PolarHBondContact CD2-NH1 2.85Å; H216-R226 PolarHBondContact NE2-NH1 3.05Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.14Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.25Å; R226-A269 WeakPolarHBondContact CA-O 3.47Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.1Å
227C97.9Very high95.1Very high0 Ų048 Ų480%026%0.261CS..EExtended strand (participates in β ladder)trans-94.4121.5176.5-1760000109.2W241 W268 A269 C283C227-W241 HydrophobicContact CB-CZ2 3.73Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.34Å; C227-W268 VanDerWaalsContact O-CB 3.25Å; C227-W268 WeakPolarHBondContact O-CB 3.5Å; C227-A269 PolarHBondContact N-O 3.35Å; C227-A269 PolarHBondContact O-N 3Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.26Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.82Å
228W98.3Very high95.4Very high47 Ų4746.9 Ų46.918%0.17825%0.247CC..EExtended strand (participates in β ladder)trans-105141.3-179.8-69.589.2000110.7T211 H212 T214 R226 L230 W268T211-W228 WeakPolarHBondContact CA-O 3.35Å; T211-W228 WeakPolarHBondContact CB-O 3.42Å; H212-W228 AromaticContact CD2-CD1 3.9Å; H212-W228 WeakPolarHBondContact CE1-CB 3.4Å; H212-W228 AromaticContact CE1-CD1 3.79Å; H212-W228 AromaticContact CE1-CG 3.48Å; H212-W228 VanDerWaalsContact CE1-CG 3.48Å; H212-W228 PolarHBondContact N-O 3.35Å; H212-W228 AromaticContact NE2-CD1 3.38Å; H212-W228 AromaticContact NE2-CG 3.56Å; H212-W228 AromaticContact NE2-NE1 3.96Å; H212-W228 PolarHBondContact O-N 2.87Å; T214-W228 PolarHBondContact OG1-NE1 3.19Å; T214-W228 VanDerWaalsContact OG1-NE1 3.07Å; R226-W228 HydrophobicContact CG-CZ2 4.45Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.5Å; W228-W268 HydrophobicContact CD2-CB 3.91Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.59Å; W228-W268 HydrophobicContact CH2-CG 4.21Å; W228-W268 HydrophobicContact CZ2-CG 4.48Å; W228-W268 HydrophobicContact CZ3-CB 4.25Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å
229A98.5Very high95.8Very high0 Ų042.7 Ų42.70%022%0.221CC..EExtended strand (participates in β ladder)trans-124.2121.6163.100000107.9P209 T211 F232 I237 L239 Q266 K267P209-A229 HydrophobicContact CB-CB 3.88Å; T211-A229 HydrophobicContact CG2-CB 4.38Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.88Å; A229-F232 WeakPolarHBondContact O-CE1 3.45Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; A229-L239 HydrophobicContact CB-CD1 4.06Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.48Å; A229-K267 PolarHBondContact N-O 2.83Å; A229-K267 PolarHBondContact O-N 3.16Å; A229-K267 VanDerWaalsContact O-O 3.07Å
230L98.3Very high96.2Very high47 Ų4742.3 Ų42.325%0.24622%0.216CC..EExtended strand (participates in β ladder)trans-127.3155.5-175.8-59.6179.5000111.1K210 W228 F232 Q266K210-L230 PolarHBondContact N-O 3.27Å; K210-L230 PolarHBondContact O-N 2.91Å; W228-L230 HydrophobicContact CE3-CD2 3.94Å; W228-L230 HydrophobicContact CZ3-CD2 4.5Å; L230-F232 VanDerWaalsContact C-N 3.32Å; L230-F232 PolarHBondContact O-N 2.91Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å
231S97.5Very high96.6Very high41 Ų4135.2 Ų35.229%0.28718%0.178SC..EExtended strand (participates in β ladder)trans54.842.6170.7-55.50000114T264 F265S231-T264 WeakPolarHBondContact CA-OG1 3.32Å; S231-F265 PolarHBondContact N-O 2.74Å
232F97.6Very high96.9Very high0 Ų030.3 Ų30.30%016%0.156CC..EExtended strand (participates in β ladder)trans-108.1156.2177.160.2-90.5000112.6D207 P209 A229 L230 P234 I237 T257 T264 F265 K267 H287D207-F232 WeakPolarHBondContact O-CA 3.36Å; D207-F232 WeakPolarHBondContact O-CB 3.44Å; P209-F232 HydrophobicContact CB-CB 3.85Å; P209-F232 HydrophobicContact CB-CD1 3.96Å; P209-F232 HydrophobicContact CB-CG 4.17Å; A229-F232 HydrophobicContact CB-CD1 4.1Å; A229-F232 HydrophobicContact CB-CE1 3.88Å; A229-F232 WeakPolarHBondContact O-CE1 3.45Å; L230-F232 VanDerWaalsContact C-N 3.32Å; L230-F232 PolarHBondContact O-N 2.91Å; F232-P234 WeakPolarHBondContact CD2-O 3.27Å; F232-I237 HydrophobicContact CD1-CD1 3.92Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 4.03Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.41Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 4.03Å; F232-I237 HydrophobicContact CZ-CB 4.09Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.51Å; F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; F232-T264 WeakPolarHBondContact O-CA 3.2Å; F232-F265 VanDerWaalsContact CD1-O 3.29Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.36Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 3.02Å; F232-F265 PolarHBondContact O-N 2.9Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.66Å
233Y95.9Very high97Very high3 Ų329.9 Ų29.91%0.01215%0.15CC..BIsolated β-bridgetrans-151.6135.4173.7-180-85.1000109.1D54 T55 R205 T206 D207 G263 F265 H287D54-Y233 HydrophobicContact CB-CE2 4.24Å; T55-Y233 PolarHBondContact OG1-OH 2.81Å; R205-Y233 HydrophobicContact CG-CD1 4Å; R205-Y233 HydrophobicContact CG-CE1 4.46Å; R205-Y233 VanDerWaalsContact O-CD1 3.3Å; R205-Y233 WeakPolarHBondContact O-CD1 3.23Å; T206-Y233 WeakPolarHBondContact CA-O 3.48Å; D207-Y233 PolarHBondContact N-O 2.96Å; D207-Y233 PolarHBondContact O-N 2.75Å; D207-Y233 VanDerWaalsContact O-N 3.1Å; Y233-G263 WeakPolarHBondContact CD2-O 3.43Å; Y233-F265 HydrophobicContact CD2-CD2 4.4Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.38Å; Y233-H287 PolarHBondContact O-CE1 2.85Å
234P95Very high97Very high20 Ų2034.6 Ų34.613%0.1318%0.175CC..SBendcis-74.5179.53.731.6-37.1000113.4D54 F232 E236 H287D54-P234 WeakPolarHBondContact OD2-CB 3.44Å; F232-P234 WeakPolarHBondContact CD2-O 3.27Å; P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.42Å; P234-H287 PolarHBondContact O-NE2 3.43Å
235A96.1Very high96.7Very high14 Ų1435.9 Ų35.912%0.11619%0.193CC..SBendtrans-69.5-25.1-175.100000113.9D54 I237 T257 F265D54-A235 HydrophobicContact CB-CB 4.3Å; D54-A235 VanDerWaalsContact OD2-CB 3.29Å; D54-A235 WeakPolarHBondContact OD2-CB 3.15Å; D54-A235 PolarHBondContact OD2-N 3.16Å; A235-I237 PolarHBondContact O-N 3.18Å; A235-I237 VanDerWaalsContact O-N 3.17Å; A235-T257 HydrophobicContact CB-CG2 4.27Å; A235-T257 WeakPolarHBondContact O-CG2 3.14Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.71Å
236E95.3Very high96.6Very high144 Ų14442.1 Ų42.167%0.67322%0.222SC*.  trans-64.5115.3179.5-172.158.8-146.100110.3P234 H287P234-E236 VanDerWaalsContact C-N 3.31Å; P234-E236 PolarHBondContact O-N 3.42Å; E236-H287 PolarHBondContact O-CD2 3.07Å
237I96.3Very high96.5Very high10 Ų1043.5 Ų43.55%0.05123%0.233CC..  trans-151142.2-179-164.4171.1000109.6P209 A229 F232 A235 L239 K267 V285 Q286 H287P209-I237 HydrophobicContact CB-CD1 4.02Å; P209-I237 HydrophobicContact CG-CD1 4.09Å; A229-I237 HydrophobicContact CB-CD1 3.66Å; F232-I237 HydrophobicContact CD1-CD1 3.92Å; F232-I237 HydrophobicContact CD2-CB 4.3Å; F232-I237 HydrophobicContact CD2-CD1 4.03Å; F232-I237 HydrophobicContact CE1-CD1 3.8Å; F232-I237 HydrophobicContact CE1-CG2 4.41Å; F232-I237 HydrophobicContact CE2-CB 3.74Å; F232-I237 HydrophobicContact CE2-CD1 3.94Å; F232-I237 HydrophobicContact CE2-CG1 4.43Å; F232-I237 HydrophobicContact CE2-CG2 3.59Å; F232-I237 HydrophobicContact CG-CD1 4.03Å; F232-I237 HydrophobicContact CZ-CB 4.09Å; F232-I237 HydrophobicContact CZ-CD1 3.85Å; F232-I237 HydrophobicContact CZ-CG2 3.51Å; A235-I237 PolarHBondContact O-N 3.18Å; A235-I237 VanDerWaalsContact O-N 3.17Å; I237-L239 HydrophobicContact CB-CD1 4.5Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; I237-Q286 WeakPolarHBondContact CG1-O 3.45Å; I237-H287 HydrophobicContact CD1-CB 4.31Å; I237-H287 HydrophobicContact CG1-CB 4.07Å
238T97.2Very high96.4Very high54 Ų5444.2 Ų44.233%0.33124%0.237SC..EExtended strand (participates in β ladder)trans-114123.1174.2-62.50000110.1T240 V285 Q286T238-T240 HydrophobicContact CG2-CG2 3.99Å; T238-V285 WeakPolarHBondContact O-CA 3.46Å; T238-Q286 PolarHBondContact N-O 3.34Å; T238-Q286 PolarHBondContact O-N 2.89Å
239L97.6Very high95.9Very high6 Ų647 Ų473%0.03126%0.259CS..EExtended strand (participates in β ladder)trans-117.1122.8172.5-87.262000108.4A229 I237 L254 K267 A269 H284 V285A229-L239 HydrophobicContact CB-CD1 4.06Å; A229-L239 HydrophobicContact CB-CD2 4.22Å; I237-L239 HydrophobicContact CB-CD1 4.5Å; I237-L239 HydrophobicContact CD1-CD1 3.65Å; I237-L239 HydrophobicContact CG1-CD1 3.64Å; I237-L239 HydrophobicContact CG2-CD1 4.14Å; L239-L254 HydrophobicContact CB-CD1 4.17Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; L239-H284 WeakPolarHBondContact CA-O 3.21Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.32Å
240T97.1Very high95.5Very high43 Ų4356.1 Ų56.126%0.26430%0.302SS..EExtended strand (participates in β ladder)trans-131.7149175.7590000111.8T238 C283 H284T238-T240 HydrophobicContact CG2-CG2 3.99Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; T240-H284 PolarHBondContact N-O 2.89Å; T240-H284 PolarHBondContact O-N 3.34Å
241W97.8Very high95Very high2 Ų259.1 Ų59.11%0.00832%0.318CS..EExtended strand (participates in β ladder)trans-104137.8170.2-82.2103.3000110.2M213 L225 C227 Q248 A269 V271 T282 C283M213-W241 HydrophobicContact CE-CH2 3.17Å; M213-W241 HydrophobicContact CE-CZ2 3.97Å; M213-W241 HydrophobicContact CE-CZ3 3.61Å; M213-W241 HydrophobicContact SD-CH2 4.04Å; L225-W241 HydrophobicContact CB-CH2 3.57Å; L225-W241 HydrophobicContact CB-CZ2 3.84Å; L225-W241 HydrophobicContact CB-CZ3 4.42Å; L225-W241 HydrophobicContact CD1-CH2 4.03Å; L225-W241 HydrophobicContact CD1-CZ3 4.22Å; L225-W241 HydrophobicContact CG-CH2 4.46Å; C227-W241 HydrophobicContact CB-CZ2 3.73Å; W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 3.42Å; W241-A269 PolarHBondContact NE1-O 3.15Å; W241-V271 HydrophobicContact CD2-CB 4.41Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 3.89Å; W241-V271 HydrophobicContact CG-CB 4.21Å; W241-V271 HydrophobicContact CG-CG1 3.88Å; W241-V271 HydrophobicContact CH2-CG1 4.4Å; W241-V271 HydrophobicContact CZ2-CG1 4.16Å; W241-V271 HydrophobicContact CZ3-CG1 4.29Å; W241-T282 WeakPolarHBondContact CA-O 3.14Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; W241-C283 HydrophobicContact CD2-CB 4.2Å; W241-C283 HydrophobicContact CE3-CB 4.17Å; W241-C283 HydrophobicContact CH2-CB 4.14Å; W241-C283 HydrophobicContact CZ2-CB 4.14Å; W241-C283 HydrophobicContact CZ3-CB 4.14Å
242Q97.5Very high94.9Very high42 Ų4258.3 Ų58.320%0.19631%0.311CS..EExtended strand (participates in β ladder)trans-123.6146.8171.5-69.4-173.9-8.300110.4E246 D247 Y281 T282 H284Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.14Å; Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 3.11Å; Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; Q242-T282 PolarHBondContact N-O 3.34Å; Q242-T282 PolarHBondContact O-N 3.17Å; Q242-H284 PolarHBondContact OE1-NE2 3.23Å
243R97Very high94.9Very high85 Ų8563.8 Ų63.832%0.32134%0.337SS..EExtended strand (participates in β ladder)trans-118.6116.4168.8-176.7-178.771.3-166.5-3.6108.5G245 E246 Q248 R280 Y281R243-G245 PolarHBondContact O-N 3.33Å; R243-E246 PolarHBondContact N-O 3.01Å; R243-E246 PolarHBondContact O-N 3.01Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; R243-R280 WeakPolarHBondContact CA-O 3.48Å; R243-R280 HydrophobicContact CG-CB 4.37Å; R243-Y281 HydrophobicContact CB-CD1 4.02Å; R243-Y281 HydrophobicContact CB-CE1 3.82Å; R243-Y281 VanDerWaalsContact CD-CZ 3.48Å; R243-Y281 VanDerWaalsContact CD-OH 3.3Å; R243-Y281 WeakPolarHBondContact CD-OH 2.85Å; R243-Y281 HydrophobicContact CG-CD1 4.37Å; R243-Y281 HydrophobicContact CG-CE1 3.98Å; R243-Y281 HydrophobicContact CG-CE2 4.19Å
244D94.6Very high94.9Very high98 Ų9868 Ų6852%0.52436%0.359SS..THydrogen-bonded Turntrans5030.7-174.5-51.8-52.3000114R280D244-R280 PolarHBondContact N-O 2.72Å; D244-R280 WeakPolarHBondContact OD1-CB 3.02Å; D244-R280 IonicContact OD1-NE 3.35Å; D244-R280 PolarHBondContact OD1-NE 3.1Å; D244-R280 IonicContact OD2-CZ 3.08Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 2.94Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 3.29Å
245G90.9Very high95Very high49 Ų4968.6 Ų68.651%0.50536%0.363SS..THydrogen-bonded Turntrans90.8-2.1-177.800000115.7R243R243-G245 PolarHBondContact O-N 3.33Å
246E95.2Very high95Very high131 Ų13176.2 Ų76.261%0.61240%0.396SS*.EExtended strand (participates in β ladder)trans-96127.7175.6-63.5-175.8165.800111.6Q242 R243 Q248Q242-E246 CarbonylContact C-O 3.55Å; Q242-E246 VanDerWaalsContact CA-O 3.23Å; Q242-E246 WeakPolarHBondContact CA-O 3.14Å; R243-E246 PolarHBondContact N-O 3.01Å; R243-E246 PolarHBondContact O-N 3.01Å; E246-Q248 PolarHBondContact O-NE2 3.49Å
247D94.9Very high95.1Very high77 Ų7771.5 Ų71.541%0.41238%0.377SS..EExtended strand (participates in β ladder)trans-61.5135.5179.6-69.6-25.4000112.3Q242Q242-D247 WeakPolarHBondContact CG-OD1 3.37Å; Q242-D247 PolarHBondContact NE2-OD1 3.11Å
248Q95Very high95.2Very high15 Ų1575.6 Ų75.67%0.0739%0.392CS..  trans-107.238.8-177.7-57.6-59.1-72.700112.1W241 R243 E246 Q250 D251 T252 Y281W241-Q248 HydrophobicContact CB-CB 4.23Å; W241-Q248 PolarHBondContact O-N 3.42Å; R243-Q248 HydrophobicContact CB-CG 3.94Å; E246-Q248 PolarHBondContact O-NE2 3.49Å; Q248-Q250 VanDerWaalsContact C-N 3.33Å; Q248-Q250 PolarHBondContact O-N 2.89Å; Q248-D251 PolarHBondContact O-N 3.32Å; Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 3.43Å; Q248-T252 VanDerWaalsContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 2.9Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å
249T89.6Confident95.2Very high107 Ų10777.5 Ų77.566%0.65641%0.405SS*.THydrogen-bonded Turntrans-58.7-37.7-169.6-48.30000114
250Q89.5Confident95.1Very high190 Ų19079.5 Ų79.589%0.88842%0.422SS*.THydrogen-bonded Turntrans-75.4-30.4-178.3-66.9-174.51.100113.1Q248Q248-Q250 VanDerWaalsContact C-N 3.33Å; Q248-Q250 PolarHBondContact O-N 2.89Å
251D88.4Confident94.9Very high111 Ų11181.1 Ų81.159%0.59445%0.448SS*.THydrogen-bonded Turntrans-94.31.1-177.7-56.6-49.9000112.3Q248Q248-D251 PolarHBondContact O-N 3.32Å
252T95.2Very high94.7Very high24 Ų2486.1 Ų86.115%0.14748%0.475CS..EExtended strand (participates in β ladder)trans-95.6121.2-179.7-640000110.8Q248 L254 A269 A270Q248-T252 WeakPolarHBondContact O-CB 3.35Å; Q248-T252 PolarHBondContact O-N 3.43Å; Q248-T252 VanDerWaalsContact O-N 3.1Å; Q248-T252 PolarHBondContact O-OG1 2.9Å; T252-L254 HydrophobicContact CG2-CB 4.39Å; T252-L254 PolarHBondContact O-N 3.39Å; T252-A269 HydrophobicContact CG2-CB 3.97Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 WeakPolarHBondContact CA-O 3.2Å
253E96.8Very high94.4Very high115 Ų11586.1 Ų86.154%0.53749%0.485SS..EExtended strand (participates in β ladder)trans-77.3108.9163.2-173.6-174.9-170.300109W268 A269 A270E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.87Å; E253-W268 HydrophobicContact CG-CZ3 3.81Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.31Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.22Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 2.8Å; E253-A270 PolarHBondContact O-N 2.79Å
254L96.9Very high94.4Very high91 Ų9182.7 Ų82.748%0.47647%0.474SS..EExtended strand (participates in β ladder)trans-114.5119.8179.1-174.668.2000109.9L239 T252 K267 A269L239-L254 HydrophobicContact CB-CD1 4.17Å; T252-L254 HydrophobicContact CG2-CB 4.39Å; T252-L254 PolarHBondContact O-N 3.39Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
255V96.6Very high94.5Very high33 Ų3379.2 Ų79.220%0.245%0.454CS..PPolyproline II helixtrans-84.1153.5174.5-650000112.2K267 W268V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.02Å; V255-K267 WeakPolarHBondContact O-CG 3.22Å; V255-K267 PolarHBondContact O-NZ 3.34Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.32Å; V255-W268 HydrophobicContact CG1-CH2 3.59Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.13Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.3Å; V255-W268 PolarHBondContact N-O 2.91Å
256E96.3Very high94.9Very high174 Ų17479 Ų7981%0.81344%0.44SS*.PPolyproline II helixtrans-57.5149167.4-67.4-175.2173.500111.2R258E256-R258 PolarHBondContact O-N 3.48Å
257T97.6Very high95.1Very high45 Ų4573.9 Ų73.928%0.27642%0.416SS..PPolyproline II helixtrans-68.5130.4173.8-56.50000108.4F232 A235 F265 K267F232-T257 HydrophobicContact CE2-CG2 4.1Å; F232-T257 HydrophobicContact CZ-CG2 3.89Å; A235-T257 HydrophobicContact CB-CG2 4.27Å; A235-T257 WeakPolarHBondContact O-CG2 3.14Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 3.33Å
258R97Very high95.2Very high96 Ų9671.4 Ų71.436%0.36240%0.401SS..EExtended strand (participates in β ladder)trans-127.5145.6-174.868-168.9-178.8-166.71.7111.5E256 F265 Q266E256-R258 PolarHBondContact O-N 3.48Å; R258-F265 WeakPolarHBondContact O-CA 3.48Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.03Å; R258-Q266 WeakPolarHBondContact O-CG 3.4Å; R258-Q266 PolarHBondContact O-N 3.35Å
259P96.9Very high95.4Very high93 Ų9370.7 Ų70.760%0.60440%0.397SS*.EExtended strand (participates in β ladder)trans-68.8145.6178.128.8-34.8000111.2F265P259-F265 HydrophobicContact CB-CE1 4.3Å
260A96.3Very high95.7Very high49 Ų4965.7 Ų65.741%0.40537%0.367SS..  trans-89.1-16.1173.200000113D262 T264A260-D262 WeakPolarHBondContact CB-OD1 3.47Å; A260-T264 PolarHBondContact N-O 2.93Å
261G93.1Very high96.1Very high77 Ų7756.8 Ų56.879%0.79433%0.325SS*.SBendtrans96.2-7178.900000114.9
262D92.8Very high96.5Very high107 Ų10755.1 Ų55.157%0.57232%0.319SS*.SBendtrans-106.613.5177.161.8-1.2000112.9A260 T264A260-D262 WeakPolarHBondContact CB-OD1 3.47Å; D262-T264 WeakPolarHBondContact OD1-CB 2.93Å; D262-T264 PolarHBondContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å
263G91.8Very high96.6Very high41 Ų4154 Ų5442%0.42331%0.312SS..SBendtrans85.83-173.500000114.3Y233Y233-G263 WeakPolarHBondContact CD2-O 3.43Å
264T96.7Very high96.5Very high13 Ų1350.6 Ų50.68%0.0830%0.3CS..  trans-106.7172.5172.673.80000112.4S231 F232 A260 D262S231-T264 WeakPolarHBondContact CA-OG1 3.32Å; F232-T264 WeakPolarHBondContact O-CA 3.2Å; A260-T264 PolarHBondContact N-O 2.93Å; D262-T264 WeakPolarHBondContact OD1-CB 2.93Å; D262-T264 PolarHBondContact OD1-N 3.13Å; D262-T264 PolarHBondContact OD1-OG1 3.37Å
265F98.1Very high96.2Very high26 Ų2648.9 Ų48.911%0.11430%0.296CS..EExtended strand (participates in β ladder)trans-120.7162.3-177.9-63.8-85.7000112.3D54 S231 F232 Y233 A235 T257 R258 P259D54-F265 HydrophobicContact CB-CE2 3.81Å; D54-F265 HydrophobicContact CB-CZ 3.64Å; S231-F265 PolarHBondContact N-O 2.74Å; F232-F265 VanDerWaalsContact CD1-O 3.29Å; F232-F265 WeakPolarHBondContact CD1-O 3.43Å; F232-F265 HydrophobicContact CD2-CB 3.92Å; F232-F265 HydrophobicContact CE1-CB 4.24Å; F232-F265 WeakPolarHBondContact CE1-O 3.36Å; F232-F265 HydrophobicContact CE2-CB 3.46Å; F232-F265 VanDerWaalsContact CE2-CB 3.46Å; F232-F265 HydrophobicContact CE2-CG 4.46Å; F232-F265 HydrophobicContact CG-CB 4.46Å; F232-F265 HydrophobicContact CZ-CB 3.62Å; F232-F265 PolarHBondContact N-O 3.02Å; F232-F265 PolarHBondContact O-N 2.9Å; Y233-F265 HydrophobicContact CD2-CD2 4.4Å; Y233-F265 AromaticContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CD2-CE2 3.95Å; Y233-F265 HydrophobicContact CE2-CE2 4.38Å; A235-F265 HydrophobicContact CB-CD1 3.69Å; A235-F265 HydrophobicContact CB-CD2 3.7Å; A235-F265 HydrophobicContact CB-CE1 3.68Å; A235-F265 HydrophobicContact CB-CE2 3.69Å; A235-F265 HydrophobicContact CB-CG 3.72Å; A235-F265 HydrophobicContact CB-CZ 3.71Å; T257-F265 HydrophobicContact CG2-CB 3.79Å; T257-F265 HydrophobicContact CG2-CD1 3.91Å; T257-F265 HydrophobicContact CG2-CG 4.12Å; R258-F265 WeakPolarHBondContact O-CA 3.48Å; P259-F265 HydrophobicContact CB-CE1 4.3Å
266Q98.3Very high95.9Very high45 Ų4550.5 Ų50.521%0.2132%0.319CS..EExtended strand (participates in β ladder)trans-141.1147174.245.1167.3-25.900110.2A229 L230 R258A229-Q266 VanDerWaalsContact O-CA 3.3Å; A229-Q266 WeakPolarHBondContact O-CA 3.48Å; L230-Q266 HydrophobicContact CD2-CB 3.56Å; R258-Q266 HydrophobicContact CG-CG 3.57Å; R258-Q266 PolarHBondContact N-O 3.03Å; R258-Q266 WeakPolarHBondContact O-CG 3.4Å; R258-Q266 PolarHBondContact O-N 3.35Å
267K98.5Very high95.8Very high22 Ų2245.2 Ų45.210%0.09630%0.295CS..EExtended strand (participates in β ladder)trans-151.7154.2177-162.4-176.6-171.670.30109.1A229 F232 I237 L239 L254 V255 T257A229-K267 PolarHBondContact N-O 2.83Å; A229-K267 PolarHBondContact O-N 3.16Å; A229-K267 VanDerWaalsContact O-O 3.07Å; F232-K267 HydrophobicContact CE1-CB 4.36Å; F232-K267 HydrophobicContact CZ-CB 4.14Å; I237-K267 HydrophobicContact CG2-CB 4.23Å; I237-K267 HydrophobicContact CG2-CD 3.57Å; L239-K267 HydrophobicContact CD1-CD 4.29Å; L239-K267 HydrophobicContact CD2-CB 4.39Å; L239-K267 HydrophobicContact CD2-CG 4.42Å; L254-K267 HydrophobicContact CD1-CD 4.48Å; V255-K267 HydrophobicContact CG2-CG 4.43Å; V255-K267 VanDerWaalsContact O-CE 3.31Å; V255-K267 WeakPolarHBondContact O-CE 3.02Å; V255-K267 WeakPolarHBondContact O-CG 3.22Å; V255-K267 PolarHBondContact O-NZ 3.34Å; T257-K267 WeakPolarHBondContact OG1-CD 3.45Å; T257-K267 PolarHBondContact OG1-NZ 3.33Å
268W98.3Very high95.6Very high25 Ų2543.9 Ų43.910%0.09529%0.285CS..EExtended strand (participates in β ladder)trans-143.4157.1169.159.2-98.6000111.5R226 C227 W228 E253 V255 A270R226-W268 HydrophobicContact CG-CB 4.02Å; R226-W268 HydrophobicContact CG-CD2 4.14Å; R226-W268 HydrophobicContact CG-CE3 3.88Å; R226-W268 HydrophobicContact CG-CG 4.25Å; C227-W268 CarbonylContact O-C 3.53Å; C227-W268 WeakPolarHBondContact O-CA 3.34Å; C227-W268 VanDerWaalsContact O-CB 3.25Å; C227-W268 WeakPolarHBondContact O-CB 3.5Å; W228-W268 HydrophobicContact CD2-CB 3.91Å; W228-W268 HydrophobicContact CD2-CG 4.41Å; W228-W268 HydrophobicContact CE3-CB 3.83Å; W228-W268 AromaticContact CE3-CD1 3.82Å; W228-W268 HydrophobicContact CE3-CG 4.13Å; W228-W268 HydrophobicContact CG-CB 4.33Å; W228-W268 AromaticContact CH2-CD1 3.59Å; W228-W268 HydrophobicContact CH2-CG 4.21Å; W228-W268 HydrophobicContact CZ2-CG 4.48Å; W228-W268 HydrophobicContact CZ3-CB 4.25Å; W228-W268 AromaticContact CZ3-CD1 3.35Å; W228-W268 HydrophobicContact CZ3-CG 4.04Å; E253-W268 HydrophobicContact CB-CZ3 4.22Å; E253-W268 HydrophobicContact CG-CH2 3.87Å; E253-W268 HydrophobicContact CG-CZ3 3.81Å; E253-W268 WeakPolarHBondContact OE1-CH2 3.31Å; E253-W268 WeakPolarHBondContact OE2-CH2 3.22Å; V255-W268 HydrophobicContact CB-CZ2 4.39Å; V255-W268 HydrophobicContact CG1-CD2 3.98Å; V255-W268 HydrophobicContact CG1-CE3 4.32Å; V255-W268 HydrophobicContact CG1-CH2 3.59Å; V255-W268 HydrophobicContact CG1-CZ2 3.17Å; V255-W268 HydrophobicContact CG1-CZ3 4.13Å; V255-W268 HydrophobicContact CG2-CD2 3.76Å; V255-W268 HydrophobicContact CG2-CE3 4.49Å; V255-W268 HydrophobicContact CG2-CG 3.74Å; V255-W268 HydrophobicContact CG2-CZ2 4.39Å; V255-W268 WeakPolarHBondContact CG2-O 3.3Å; V255-W268 PolarHBondContact N-O 2.91Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.68Å
269A98.1Very high95.4Very high0 Ų043.9 Ų43.90%029%0.289CS..EExtended strand (participates in β ladder)trans-130.3132.3173.700000108.9R226 C227 L239 W241 T252 E253 L254R226-A269 WeakPolarHBondContact CA-O 3.47Å; C227-A269 PolarHBondContact N-O 3.35Å; C227-A269 PolarHBondContact O-N 3Å; L239-A269 HydrophobicContact CB-CB 4.05Å; L239-A269 HydrophobicContact CD2-CB 4.27Å; W241-A269 PolarHBondContact NE1-O 3.15Å; T252-A269 HydrophobicContact CG2-CB 3.97Å; E253-A269 CarbonylContact O-C 3.5Å; E253-A269 WeakPolarHBondContact O-CA 3.4Å; L254-A269 HydrophobicContact CD1-CB 3.66Å
270A97.6Very high95.4Very high2 Ų244.5 Ų44.52%0.01728%0.28CS..EExtended strand (participates in β ladder)trans-124.3147.1179.800000112.1T224 L225 R226 T252 E253 W268T224-A270 HydrophobicContact CG2-CB 3.94Å; L225-A270 CarbonylContact O-C 3.52Å; L225-A270 WeakPolarHBondContact O-CA 3.4Å; R226-A270 HydrophobicContact CB-CB 3.93Å; R226-A270 HydrophobicContact CG-CB 4.1Å; T252-A270 CarbonylContact C-O 3.6Å; T252-A270 WeakPolarHBondContact CA-O 3.2Å; E253-A270 HydrophobicContact CB-CB 4.39Å; E253-A270 PolarHBondContact N-O 2.8Å; E253-A270 PolarHBondContact O-N 2.79Å; W268-A270 HydrophobicContact CE3-CB 3.98Å; W268-A270 HydrophobicContact CZ3-CB 3.68Å
271V97.4Very high95.4Very high3 Ų342.5 Ų42.52%0.01826%0.262CS..EExtended strand (participates in β ladder)trans-136.5141.9175.462.90000109T224 L225 W241 V273 Y281T224-V271 WeakPolarHBondContact CA-O 3.38Å; L225-V271 HydrophobicContact CB-CG1 4.33Å; L225-V271 PolarHBondContact N-O 3.01Å; L225-V271 PolarHBondContact O-N 3.32Å; W241-V271 HydrophobicContact CD2-CB 4.41Å; W241-V271 HydrophobicContact CD2-CG1 3.59Å; W241-V271 HydrophobicContact CE3-CG1 3.89Å; W241-V271 HydrophobicContact CG-CB 4.21Å; W241-V271 HydrophobicContact CG-CG1 3.88Å; W241-V271 HydrophobicContact CH2-CG1 4.4Å; W241-V271 HydrophobicContact CZ2-CG1 4.16Å; W241-V271 HydrophobicContact CZ3-CG1 4.29Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-V273 HydrophobicContact CG2-CG1 4.41Å; V271-Y281 HydrophobicContact CG1-CD1 4.11Å; V271-Y281 HydrophobicContact CG2-CD1 4.44Å; V271-Y281 HydrophobicContact CG2-CE1 4.16Å
272V96.9Very high95.6Very high76 Ų7639.4 Ų39.446%0.46123%0.227SC..EExtended strand (participates in β ladder)trans-85127171.3-178.60000108.1E222 A223E222-V272 HydrophobicContact CB-CG1 4.1Å; E222-V272 HydrophobicContact CG-CG1 4.31Å; A223-V272 WeakPolarHBondContact O-CA 2.99Å
273V96.1Very high95.9Very high0 Ų034.3 Ų34.30%020%0.2CC..EExtended strand (participates in β ladder)trans-125.9144.6-175.9-52.60000110.6E222 A223 L225 V271 E278 Y281E222-V273 WeakPolarHBondContact CA-O 3.41Å; A223-V273 HydrophobicContact CB-CG2 4.38Å; A223-V273 PolarHBondContact N-O 3.01Å; A223-V273 WeakPolarHBondContact O-CG2 3.23Å; A223-V273 PolarHBondContact O-N 3.23Å; L225-V273 HydrophobicContact CD1-CG1 4.02Å; L225-V273 HydrophobicContact CD1-CG2 4.02Å; L225-V273 HydrophobicContact CG-CG1 4.23Å; L225-V273 HydrophobicContact CG-CG2 3.85Å; V271-V273 HydrophobicContact CG1-CG1 3.77Å; V271-V273 HydrophobicContact CG2-CG1 4.41Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.56Å; V273-Y281 HydrophobicContact CG1-CE1 3.71Å; V273-Y281 HydrophobicContact CG1-CE2 3.52Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å
274P95.4Very high96.1Very high45 Ų4534 Ų3429%0.29219%0.187SC..EExtended strand (participates in β ladder)trans-63.9139.4170.5-20.532.4000111.1H221 G276 Q277H221-P274 CarbonylContact O-C 3.59Å; H221-P274 WeakPolarHBondContact O-CA 3.45Å; P274-G276 PolarHBondContact O-N 2.96Å; P274-Q277 HydrophobicContact CB-CB 4.39Å; P274-Q277 HydrophobicContact CB-CG 4.15Å; P274-Q277 WeakPolarHBondContact O-CB 3.47Å; P274-Q277 PolarHBondContact O-N 3.3Å
275S91Very high96.2Very high54 Ų5433.4 Ų33.438%0.37818%0.184SC..THydrogen-bonded Turntrans-56.6132.4177.1-61.10000111.4H221 E222 Q277 E278H221-S275 PolarHBondContact O-N 3.15Å; H221-S275 PolarHBondContact O-OG 2.84Å; E222-S275 PolarHBondContact N-OG 3.43Å; S275-Q277 VanDerWaalsContact C-N 3.3Å; S275-E278 WeakPolarHBondContact CA-OE1 3.38Å
276G89.8Confident96.2Very high67 Ų6736.2 Ų36.269%0.69120%0.197SC*.THydrogen-bonded Turntrans84.4-3.5-176.900000114.7P274 E278P274-G276 PolarHBondContact O-N 2.96Å; G276-E278 WeakPolarHBondContact CA-OE2 3.26Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.19Å; G276-E278 PolarHBondContact N-OE2 2.91Å
277Q94.1Very high96Very high64 Ų6434.9 Ų34.930%0.29919%0.191SC..  trans-104.36175.7-60.2-167.835.100113.4P274 S275 Q279 R280 Y281P274-Q277 HydrophobicContact CB-CB 4.39Å; P274-Q277 HydrophobicContact CB-CG 4.15Å; P274-Q277 WeakPolarHBondContact O-CB 3.47Å; P274-Q277 PolarHBondContact O-N 3.3Å; S275-Q277 VanDerWaalsContact C-N 3.3Å; Q277-Q279 PolarHBondContact O-N 3.28Å; Q277-Q279 VanDerWaalsContact O-N 3.12Å; Q277-R280 WeakPolarHBondContact O-CB 3.4Å; Q277-R280 PolarHBondContact O-N 2.67Å; Q277-Y281 HydrophobicContact CB-CE2 4.38Å; Q277-Y281 VanDerWaalsContact O-CD2 3.29Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.48Å
278E93.8Very high95.7Very high17 Ų1737.9 Ų37.98%0.07921%0.205CC..G310 helixtrans-56.1-35.3-174-58.779.9-175.900112.1L225 V273 S275 G276 R280 Y281 W298L225-E278 HydrophobicContact CD1-CB 4.05Å; L225-E278 HydrophobicContact CD1-CG 4.4Å; L225-E278 HydrophobicContact CD2-CB 4.5Å; L225-E278 HydrophobicContact CD2-CG 4.27Å; V273-E278 HydrophobicContact CG2-CG 3.94Å; S275-E278 WeakPolarHBondContact CA-OE1 3.38Å; G276-E278 WeakPolarHBondContact CA-OE2 3.26Å; G276-E278 VanDerWaalsContact N-CD 3.31Å; G276-E278 PolarHBondContact N-OE1 3.19Å; G276-E278 PolarHBondContact N-OE2 2.91Å; E278-R280 PolarHBondContact O-N 3.29Å; E278-Y281 PolarHBondContact O-N 2.83Å; E278-Y281 VanDerWaalsContact O-N 3.11Å; E278-W298 HydrophobicContact CB-CD2 4.23Å; E278-W298 HydrophobicContact CB-CE3 3.34Å; E278-W298 HydrophobicContact CB-CZ3 3.76Å; E278-W298 HydrophobicContact CG-CD2 4.46Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å
279Q93.4Very high95.5Very high95 Ų9537.5 Ų37.544%0.44421%0.209SC..G310 helixtrans-68.2-18-179.6-64-56.6-43.500114.4Q277 Y281 W298Q277-Q279 PolarHBondContact O-N 3.28Å; Q277-Q279 VanDerWaalsContact O-N 3.12Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å; Q279-W298 PolarHBondContact NE2-O 2.87Å
280R95.7Very high95.3Very high107 Ų10738.8 Ų38.840%0.40422%0.216SC..G310 helixtrans-77.4-16.3174.9-63.8174.867.7-176.38.3112.1R243 D244 Q277 E278R243-R280 WeakPolarHBondContact CA-O 3.48Å; R243-R280 HydrophobicContact CG-CB 4.37Å; D244-R280 PolarHBondContact N-O 2.72Å; D244-R280 WeakPolarHBondContact OD1-CB 3.02Å; D244-R280 IonicContact OD1-NE 3.35Å; D244-R280 PolarHBondContact OD1-NE 3.1Å; D244-R280 IonicContact OD2-CZ 3.08Å; D244-R280 IonicContact OD2-NE 2.8Å; D244-R280 PolarHBondContact OD2-NE 2.94Å; D244-R280 IonicContact OD2-NH2 2.61Å; D244-R280 PolarHBondContact OD2-NH2 3.29Å; Q277-R280 WeakPolarHBondContact O-CB 3.4Å; Q277-R280 PolarHBondContact O-N 2.67Å; E278-R280 PolarHBondContact O-N 3.29Å
281Y96.8Very high95.1Very high7 Ų745.2 Ų45.23%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-97.7131.8-177.3-66.4-98.8000111.2Q242 R243 Q248 V271 V273 Q277 E278 Q279Q242-Y281 CarbonylContact O-C 3.59Å; Q242-Y281 VanDerWaalsContact O-CA 3.25Å; Q242-Y281 WeakPolarHBondContact O-CA 3.41Å; R243-Y281 HydrophobicContact CB-CD1 4.02Å; R243-Y281 HydrophobicContact CB-CE1 3.82Å; R243-Y281 VanDerWaalsContact CD-CZ 3.48Å; R243-Y281 VanDerWaalsContact CD-OH 3.3Å; R243-Y281 WeakPolarHBondContact CD-OH 2.85Å; R243-Y281 HydrophobicContact CG-CD1 4.37Å; R243-Y281 HydrophobicContact CG-CE1 3.98Å; R243-Y281 HydrophobicContact CG-CE2 4.19Å; Q248-Y281 HydrophobicContact CG-CE1 4.39Å; V271-Y281 HydrophobicContact CG1-CD1 4.11Å; V271-Y281 HydrophobicContact CG2-CD1 4.44Å; V271-Y281 HydrophobicContact CG2-CE1 4.16Å; V273-Y281 HydrophobicContact CB-CD2 3.98Å; V273-Y281 HydrophobicContact CB-CE2 3.66Å; V273-Y281 HydrophobicContact CG1-CD1 3.75Å; V273-Y281 HydrophobicContact CG1-CD2 3.56Å; V273-Y281 HydrophobicContact CG1-CE1 3.71Å; V273-Y281 HydrophobicContact CG1-CE2 3.52Å; V273-Y281 HydrophobicContact CG1-CG 3.68Å; Q277-Y281 HydrophobicContact CB-CE2 4.38Å; Q277-Y281 VanDerWaalsContact O-CD2 3.29Å; Q277-Y281 WeakPolarHBondContact O-CD2 3.48Å; E278-Y281 PolarHBondContact O-N 2.83Å; E278-Y281 VanDerWaalsContact O-N 3.11Å; Q279-Y281 VanDerWaalsContact C-N 3.26Å
282T97.6Very high94.9Very high11 Ų1152.3 Ų52.37%0.06729%0.288CS..EExtended strand (participates in β ladder)trans-124.5134.5175.646.10000110.3W241 Q242 H284 T295 L296 R297W241-T282 WeakPolarHBondContact CA-O 3.14Å; W241-T282 VanDerWaalsContact CE3-C 3.47Å; Q242-T282 PolarHBondContact N-O 3.34Å; Q242-T282 PolarHBondContact O-N 3.17Å; T282-H284 PolarHBondContact OG1-NE2 2.04Å; T282-T295 HydrophobicContact CG2-CG2 3.89Å; T282-L296 CarbonylContact C-O 3.52Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; T282-R297 HydrophobicContact CG2-CG 3.51Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å
283C97.9Very high94.8Very high0 Ų052.4 Ų52.40%029%0.291CS..EExtended strand (participates in β ladder)trans-94.2129168.2174.80000109.4M213 C227 T240 W241 T295 L296M213-C283 HydrophobicContact CE-CB 3.38Å; C227-C283 HydrophobicContact CB-CB 3.51Å; C227-C283 WeakPolarHBondContact CB-SG 3.44Å; C227-C283 WeakPolarHBondContact SG-CB 3.26Å; C227-C283 CovalentContact SG-SG 2.03Å; C227-C283 PolarHBondContact SG-SG 2.82Å; T240-C283 CarbonylContact O-C 3.6Å; T240-C283 WeakPolarHBondContact O-CA 3.48Å; W241-C283 HydrophobicContact CD2-CB 4.2Å; W241-C283 HydrophobicContact CE3-CB 4.17Å; W241-C283 HydrophobicContact CH2-CB 4.14Å; W241-C283 HydrophobicContact CZ2-CB 4.14Å; W241-C283 HydrophobicContact CZ3-CB 4.14Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.35Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.93Å; C283-L296 PolarHBondContact O-N 3.33Å
284H97.6Very high94.8Very high35 Ų3555 Ų5516%0.16230%0.304CS..EExtended strand (participates in β ladder)trans-107130.1176.4-63.6-108.3000109.3L239 T240 Q242 T282 L294 T295L239-H284 WeakPolarHBondContact CA-O 3.21Å; T240-H284 PolarHBondContact N-O 2.89Å; T240-H284 PolarHBondContact O-N 3.34Å; Q242-H284 PolarHBondContact OE1-NE2 3.23Å; T282-H284 PolarHBondContact OG1-NE2 2.04Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; H284-T295 PolarHBondContact ND1-OG1 3.44Å
285V97.8Very high94.9Very high0 Ų056.7 Ų56.70%031%0.314CS..EExtended strand (participates in β ladder)trans-122.5121.3-179.1-174.50000108.9P209 T211 I237 T238 L239 L290 P293 L294 L296P209-V285 HydrophobicContact CG-CG1 3.96Å; T211-V285 HydrophobicContact CG2-CB 4.5Å; T211-V285 HydrophobicContact CG2-CG1 4.24Å; T211-V285 HydrophobicContact CG2-CG2 4.09Å; I237-V285 HydrophobicContact CD1-CG1 4Å; I237-V285 HydrophobicContact CG1-CG1 4.34Å; T238-V285 WeakPolarHBondContact O-CA 3.46Å; L239-V285 HydrophobicContact CD1-CG1 4.06Å; L239-V285 HydrophobicContact CG-CG2 4.32Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; V285-P293 WeakPolarHBondContact O-CA 3.24Å; V285-L294 HydrophobicContact CB-CB 4.31Å; V285-L294 PolarHBondContact N-O 2.92Å; V285-L294 PolarHBondContact O-N 3.18Å; V285-L296 HydrophobicContact CG2-CD1 3.97Å
286Q97.4Very high95.1Very high86 Ų8655.9 Ų55.940%0.40231%0.305SS..EExtended strand (participates in β ladder)trans-117.3128.3174.1-53.3-176.912.600109.3I237 T238 P293I237-Q286 WeakPolarHBondContact CG1-O 3.45Å; T238-Q286 PolarHBondContact N-O 3.34Å; T238-Q286 PolarHBondContact O-N 2.89Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
287H95.6Very high95.3Very high17 Ų1760 Ų608%0.07930%0.3CS..  trans-155.5147.7-179.1-174.1-98.8000108.9D207 P209 F232 Y233 P234 E236 I237 G289 L290D207-H287 PolarHBondContact O-CE1 3.23Å; D207-H287 VanDerWaalsContact O-CE1 3.25Å; P209-H287 HydrophobicContact CG-CB 4.03Å; F232-H287 AromaticContact CD2-CD2 3.83Å; F232-H287 AromaticContact CD2-NE2 3.66Å; Y233-H287 PolarHBondContact O-CE1 2.85Å; P234-H287 PolarHBondContact O-NE2 3.43Å; E236-H287 PolarHBondContact O-CD2 3.07Å; I237-H287 HydrophobicContact CD1-CB 4.31Å; I237-H287 HydrophobicContact CG1-CB 4.07Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 2.84Å; H287-G289 PolarHBondContact O-N 3.11Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.5Å; H287-L290 PolarHBondContact O-N 2.69Å
288E92.1Very high95.2Very high84 Ų8459.1 Ų59.139%0.39329%0.294SS..THydrogen-bonded Turntrans-62.3-31.3-178.5-174177.4178.900113.2A24 G25 T206 L290A24-E288 WeakPolarHBondContact CA-OE1 3.5Å; A24-E288 HydrophobicContact CB-CG 4.37Å; G25-E288 PolarHBondContact N-OE1 3.3Å; T206-E288 HydrophobicContact CG2-CB 4.47Å; T206-E288 HydrophobicContact CG2-CG 4.01Å; E288-L290 PolarHBondContact O-N 2.99Å
289G92.5Very high94.8Very high18 Ų1866.2 Ų66.219%0.18633%0.327CS..THydrogen-bonded Turntrans-71.6-7.7175.500000114.1A208 H287A208-G289 WeakPolarHBondContact CB-O 3.42Å; H287-G289 VanDerWaalsContact C-N 3.25Å; H287-G289 PolarHBondContact ND1-N 2.84Å; H287-G289 PolarHBondContact O-N 3.11Å
290L94.7Very high94Very high26 Ų2665.5 Ų65.514%0.13633%0.33CS..  trans-95.9126.1177.4-66.2170.5000110.7A208 P209 V285 H287 E288 K292 L294A208-L290 HydrophobicContact CB-CD2 4.02Å; P209-L290 HydrophobicContact CG-CD1 3.88Å; P209-L290 HydrophobicContact CG-CD2 4.41Å; P209-L290 HydrophobicContact CG-CG 4.17Å; V285-L290 HydrophobicContact CG1-CD1 4.18Å; H287-L290 HydrophobicContact CB-CD1 3.98Å; H287-L290 HydrophobicContact CB-CG 4.17Å; H287-L290 WeakPolarHBondContact O-CB 3.5Å; H287-L290 PolarHBondContact O-N 2.69Å; E288-L290 PolarHBondContact O-N 2.99Å; L290-K292 WeakPolarHBondContact CB-O 3.18Å; L290-K292 PolarHBondContact O-N 3.4Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.45Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.47Å
291P92.9Very high92.4Very high137 Ų13765.2 Ų65.289%0.8935%0.345SS*.SBendtrans-65.7-22.9176.827.2-34.9000112.6
292K93.6Very high90Very high152 Ų15270.4 Ų70.466%0.66138%0.382SS*.SBendtrans-149.7150.2172.660.1-178.9179.7178.50109.4L290 L294L290-K292 WeakPolarHBondContact CB-O 3.18Å; L290-K292 PolarHBondContact O-N 3.4Å; K292-L294 PolarHBondContact O-N 3.49Å
293P95.5Very high87.5Confident79 Ų7977.4 Ų77.451%0.51341%0.414SS..  trans-50.8139.2172.7-28.736.5000112.1V285 Q286V285-P293 WeakPolarHBondContact O-CA 3.24Å; Q286-P293 HydrophobicContact CG-CB 4.09Å; Q286-P293 HydrophobicContact CG-CG 4.17Å
294L96.2Very high84.8Confident53 Ų5382.3 Ų82.328%0.27745%0.446SS..EExtended strand (participates in β ladder)trans-89.6145.1173.8-64.7177.4000109.9T211 H284 V285 L290 K292T211-L294 HydrophobicContact CG2-CD1 4.32Å; H284-L294 WeakPolarHBondContact CA-O 3.48Å; V285-L294 HydrophobicContact CB-CB 4.31Å; V285-L294 PolarHBondContact N-O 2.92Å; V285-L294 PolarHBondContact O-N 3.18Å; L290-L294 HydrophobicContact CD1-CD1 3.96Å; L290-L294 HydrophobicContact CD1-CG 3.85Å; L290-L294 HydrophobicContact CD2-CD1 3.64Å; L290-L294 HydrophobicContact CD2-CD2 4.45Å; L290-L294 HydrophobicContact CD2-CG 3.88Å; L290-L294 HydrophobicContact CG-CD1 4.48Å; L290-L294 HydrophobicContact CG-CG 4.47Å; K292-L294 PolarHBondContact O-N 3.49Å
295T96.9Very high82.6Confident82 Ų8287.1 Ų87.150%0.50348%0.478SS..EExtended strand (participates in β ladder)trans-125.6116.1171-56.10000107.8T282 C283 H284T282-T295 HydrophobicContact CG2-CG2 3.89Å; C283-T295 CarbonylContact O-C 3.55Å; C283-T295 WeakPolarHBondContact O-CA 3.35Å; H284-T295 PolarHBondContact ND1-OG1 3.44Å
296L95.6Very high80.4Confident37 Ų3791.9 Ų91.919%0.19450%0.502CS..EExtended strand (participates in β ladder)trans-108.4137.3-175.6-63.7156.6000108.7T211 M213 T282 C283 V285T211-L296 HydrophobicContact CG2-CD1 4.08Å; M213-L296 HydrophobicContact CE-CB 3.74Å; M213-L296 VanDerWaalsContact CE-O 3.24Å; M213-L296 WeakPolarHBondContact CE-O 3.49Å; M213-L296 HydrophobicContact SD-CB 4.47Å; T282-L296 CarbonylContact C-O 3.52Å; T282-L296 WeakPolarHBondContact CA-O 3.35Å; C283-L296 HydrophobicContact CB-CB 4.27Å; C283-L296 PolarHBondContact N-O 2.93Å; C283-L296 PolarHBondContact O-N 3.33Å; V285-L296 HydrophobicContact CG2-CD1 3.97Å
297R94.1Very high78.4Confident153 Ų15392 Ų9258%0.57751%0.51SS*.  trans-117.8154.2167.1-73.4-175.1179.3152.20.7108.7T282 E299T282-R297 HydrophobicContact CG2-CG 3.51Å; T282-R297 VanDerWaalsContact CG2-NE 3.28Å; R297-E299 PolarHBondContact O-N 3Å
298W92.2Very high76.7Confident46 Ų4696.4 Ų96.417%0.17453%0.534CS..  trans-72.1123.3175172.666.1000109M213 H215 L225 E278 Q279 P300M213-W298 WeakPolarHBondContact SD-CA 3.31Å; M213-W298 HydrophobicContact SD-CB 3.85Å; M213-W298 PolarHBondContact SD-N 3.45Å; H215-W298 HydrophobicContact CB-CZ2 4.09Å; H215-W298 VanDerWaalsContact CB-NE1 3.27Å; H215-W298 AromaticContact CD2-CE2 3.93Å; H215-W298 AromaticContact CD2-CZ2 3.82Å; H215-W298 AromaticContact CG-CE2 3.87Å; H215-W298 AromaticContact CG-CZ2 3.81Å; H215-W298 AromaticContact CG-NE1 3.96Å; L225-W298 HydrophobicContact CD1-CB 4.33Å; L225-W298 HydrophobicContact CD2-CB 3.91Å; L225-W298 HydrophobicContact CD2-CD2 4.28Å; L225-W298 HydrophobicContact CD2-CG 3.83Å; E278-W298 HydrophobicContact CB-CD2 4.23Å; E278-W298 HydrophobicContact CB-CE3 3.34Å; E278-W298 HydrophobicContact CB-CZ3 3.76Å; E278-W298 HydrophobicContact CG-CD2 4.46Å; E278-W298 HydrophobicContact CG-CE3 3.71Å; E278-W298 HydrophobicContact CG-CZ3 3.74Å; Q279-W298 PolarHBondContact NE2-O 2.87Å; W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.9Å; W298-P300 HydrophobicContact CZ2-CB 4.21Å; W298-P300 HydrophobicContact CZ2-CG 4.25Å; W298-P300 HydrophobicContact CZ3-CG 3.98Å
299E84.3Confident75.3Confident165 Ų16598.2 Ų98.277%0.77155%0.55SS*.  trans-104.6124.8169.6-72.2-178.3175.900108.4R297 S301R297-E299 PolarHBondContact O-N 3Å; E299-S301 PolarHBondContact O-N 3Å
300P77.8Confident74.1Confident80 Ų8099.5 Ų99.552%0.51956%0.563SS.*  trans-56129.4170.9-18.928.9000108.7W298 S302W298-P300 HydrophobicContact CE3-CG 4.43Å; W298-P300 HydrophobicContact CH2-CB 4.21Å; W298-P300 HydrophobicContact CH2-CG 3.9Å; W298-P300 HydrophobicContact CZ2-CB 4.21Å; W298-P300 HydrophobicContact CZ2-CG 4.25Å; W298-P300 HydrophobicContact CZ3-CG 3.98Å; P300-S302 PolarHBondContact O-N 2.96Å
301S61.1Low73Confident102 Ų102102.6 Ų102.671%0.71358%0.579SS**  trans-59114.217958.20000109.3E299 Q303E299-S301 PolarHBondContact O-N 3Å; S301-Q303 PolarHBondContact O-N 3.49Å
302S46.7Very low72.2Confident115 Ų115100.8 Ų100.880%0.80456%0.561SS**  trans-75.463.7165.562.60000108.3P300 P304P300-S302 PolarHBondContact O-N 2.96Å; S302-P304 WeakPolarHBondContact O-CD 3.44Å
303Q45.1Very low71.3Confident159 Ų15995.9 Ų95.974%0.74355%0.549SS*.  trans-69.5111.4155.7-84-172.4-22.500105S301 T305S301-Q303 PolarHBondContact O-N 3.49Å; Q303-T305 PolarHBondContact O-N 2.94Å
304P42.2Very low70.7Confident103 Ų10393.9 Ų93.967%0.66954%0.543SS*.  trans-58.1117.516625.1-30.8000105.1S302 I306S302-P304 WeakPolarHBondContact O-CD 3.44Å; P304-I306 HydrophobicContact CG-CG1 4.48Å; P304-I306 PolarHBondContact O-N 3.21Å
305T50.3Low70.1Confident136 Ų13697 Ų9783%0.83456%0.559SS**  trans-62.683159.7-26.70000104.4Q303 P307Q303-T305 PolarHBondContact O-N 2.94Å; T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.46Å
306I51.9Low69.4Low100 Ų10097.9 Ų97.951%0.51356%0.564SS.*  trans-51.7120.5166.7-63.1175.7000102.7P304 I308 I311P304-I306 HydrophobicContact CG-CG1 4.48Å; P304-I306 PolarHBondContact O-N 3.21Å; I306-I308 HydrophobicContact CB-CG1 4.47Å; I306-I308 HydrophobicContact CG2-CG1 4.34Å; I306-I308 WeakPolarHBondContact O-CG1 3.04Å; I306-I308 PolarHBondContact O-N 2.69Å; I306-I311 HydrophobicContact CG2-CD1 3.77Å
307P55.9Low68.8Low87 Ų87101.8 Ų101.857%0.56558%0.584SS**  trans-73.177.8-177.629.6-32.5000106.7T305 V309 G310 I311T305-P307 VanDerWaalsContact O-CD 3.3Å; T305-P307 WeakPolarHBondContact O-CD 3.46Å; P307-V309 PolarHBondContact O-N 3.46Å; P307-V309 VanDerWaalsContact O-N 3.14Å; P307-G310 WeakPolarHBondContact O-CA 3.05Å; P307-G310 PolarHBondContact O-N 3.09Å; P307-I311 PolarHBondContact O-N 2.84Å; P307-I311 VanDerWaalsContact O-N 3.12Å
308I59.9Low68.2Low111 Ų111101.1 Ų101.157%0.56959%0.586SS**Hα-helixtrans-54.6-34.7179.4-68.9166.5000108.5I306 G310 I311 I312I306-I308 HydrophobicContact CB-CG1 4.47Å; I306-I308 HydrophobicContact CG2-CG1 4.34Å; I306-I308 WeakPolarHBondContact O-CG1 3.04Å; I306-I308 PolarHBondContact O-N 2.69Å; I308-G310 PolarHBondContact O-N 3.16Å; I308-I311 PolarHBondContact O-N 3.29Å; I308-I312 HydrophobicContact CG2-CD1 3.67Å; I308-I312 HydrophobicContact CG2-CG1 4.34Å; I308-I312 WeakPolarHBondContact O-CB 3.31Å; I308-I312 WeakPolarHBondContact O-CG1 3.34Å; I308-I312 PolarHBondContact O-N 2.86Å
309V62.2Low67.7Low121 Ų121100.7 Ų100.773%0.73360%0.596SS**Hα-helixtrans-62.1-41.3173.7-1760000112.5P307 A313P307-V309 PolarHBondContact O-N 3.46Å; P307-V309 VanDerWaalsContact O-N 3.14Å; V309-A313 VanDerWaalsContact O-CB 3.3Å; V309-A313 WeakPolarHBondContact O-CB 3.38Å; V309-A313 PolarHBondContact O-N 3.15Å
310G66.9Low67.5Low45 Ų4595.6 Ų95.646%0.46458%0.582SS.*Hα-helixtrans-69.1-37.8178.700000112.9P307 I308 G314P307-G310 WeakPolarHBondContact O-CA 3.05Å; P307-G310 PolarHBondContact O-N 3.09Å; I308-G310 PolarHBondContact O-N 3.16Å; G310-G314 PolarHBondContact O-N 3.1Å
311I72.7Confident67.8Low92 Ų9296.7 Ų96.747%0.47259%0.586SS.*Hα-helixtrans-69.2-43.4176.2-61.8174.1000110.6I306 P307 I308 G314 L315I306-I311 HydrophobicContact CG2-CD1 3.77Å; P307-I311 PolarHBondContact O-N 2.84Å; P307-I311 VanDerWaalsContact O-N 3.12Å; I308-I311 PolarHBondContact O-N 3.29Å; I311-G314 PolarHBondContact O-N 3.34Å; I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.2Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 2.94Å
312I74.8Confident68.8Low98 Ų9896.1 Ų96.150%0.50357%0.574SS.*Hα-helixtrans-63.2-46.6176.7-68.2169.3000110.6I308 G314 L315 V316I308-I312 HydrophobicContact CG2-CD1 3.67Å; I308-I312 HydrophobicContact CG2-CG1 4.34Å; I308-I312 WeakPolarHBondContact O-CB 3.31Å; I308-I312 WeakPolarHBondContact O-CG1 3.34Å; I308-I312 PolarHBondContact O-N 2.86Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 2.76Å; I312-L315 PolarHBondContact O-N 3.43Å; I312-V316 HydrophobicContact CG2-CG2 4.38Å; I312-V316 VanDerWaalsContact O-CG2 3.3Å; I312-V316 WeakPolarHBondContact O-CG2 3.17Å; I312-V316 PolarHBondContact O-N 2.87Å
313A76.1Confident70.2Confident50 Ų5094.9 Ų94.941%0.41356%0.562SS.*Hα-helixtrans-60.6-42177.200000112V309 V316 L317V309-A313 VanDerWaalsContact O-CB 3.3Å; V309-A313 WeakPolarHBondContact O-CB 3.38Å; V309-A313 PolarHBondContact O-N 3.15Å; A313-V316 PolarHBondContact O-N 3.42Å; A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.36Å; A313-L317 PolarHBondContact O-N 3.21Å
314G81.1Confident71.8Confident37 Ų3789.2 Ų89.238%0.38155%0.547SS..Hα-helixtrans-61.8-45.5175.600000113G310 I311 I312 L317 F318G310-G314 PolarHBondContact O-N 3.1Å; I311-G314 PolarHBondContact O-N 3.34Å; I312-G314 VanDerWaalsContact C-N 3.32Å; I312-G314 PolarHBondContact O-N 2.76Å; G314-L317 PolarHBondContact O-N 3.2Å; G314-F318 WeakPolarHBondContact O-CB 3.38Å; G314-F318 PolarHBondContact O-N 3.17Å
315L84.6Confident73.6Confident119 Ų11987.1 Ų87.162%0.62354%0.538SS*.Hα-helixtrans-65.8-39.8178.7-74.7169.8000112.7I311 I312 F318 G319I311-L315 HydrophobicContact CG2-CD1 4Å; I311-L315 WeakPolarHBondContact O-CB 3.2Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 2.94Å; I312-L315 PolarHBondContact O-N 3.43Å; L315-F318 PolarHBondContact O-N 3.32Å; L315-G319 PolarHBondContact O-N 2.78Å
316V82.9Confident75Confident99 Ų9984.6 Ų84.660%0.652%0.523SS*.Hα-helixtrans-64.7-45.4176.9171.60000110.9I312 A313 G319 A320I312-V316 HydrophobicContact CG2-CG2 4.38Å; I312-V316 VanDerWaalsContact O-CG2 3.3Å; I312-V316 WeakPolarHBondContact O-CG2 3.17Å; I312-V316 PolarHBondContact O-N 2.87Å; A313-V316 PolarHBondContact O-N 3.42Å; V316-G319 PolarHBondContact O-N 3.43Å; V316-A320 WeakPolarHBondContact O-CB 3.45Å; V316-A320 PolarHBondContact O-N 3.35Å
317L82.3Confident76.3Confident119 Ų11983.9 Ų83.962%0.62352%0.523SS*.Hα-helixtrans-62-44.1176.4-78.5166.7000111.6A313 G314 G319 A320 V321A313-L317 WeakPolarHBondContact O-CB 3.31Å; A313-L317 WeakPolarHBondContact O-CG 3.36Å; A313-L317 PolarHBondContact O-N 3.21Å; G314-L317 PolarHBondContact O-N 3.2Å; L317-G319 PolarHBondContact O-N 3.02Å; L317-A320 PolarHBondContact O-N 3.36Å; L317-V321 WeakPolarHBondContact O-CG2 3.49Å; L317-V321 PolarHBondContact O-N 3.15Å
318F81.3Confident77.2Confident140 Ų14082.6 Ų82.661%0.61452%0.519SS*.Hα-helixtrans-64.2-42179-154.5-99.3000111.9G314 L315 A320 V321 I322G314-F318 WeakPolarHBondContact O-CB 3.38Å; G314-F318 PolarHBondContact O-N 3.17Å; L315-F318 PolarHBondContact O-N 3.32Å; F318-A320 PolarHBondContact O-N 2.86Å; F318-V321 PolarHBondContact O-N 2.83Å; F318-I322 HydrophobicContact CD1-CD1 3.8Å; F318-I322 HydrophobicContact CD1-CG1 4.39Å; F318-I322 HydrophobicContact CE1-CD1 3.63Å; F318-I322 HydrophobicContact CE1-CG1 4.37Å; F318-I322 WeakPolarHBondContact O-CG1 3.5Å; F318-I322 PolarHBondContact O-N 3.19Å; F318-I322 VanDerWaalsContact O-N 3.08Å
319G81.2Confident78Confident37 Ų3779.9 Ų79.938%0.38151%0.514SS..Hα-helixtrans-60.1-42.9174.300000112.9L315 V316 L317 I322 T323L315-G319 PolarHBondContact O-N 2.78Å; V316-G319 PolarHBondContact O-N 3.43Å; L317-G319 PolarHBondContact O-N 3.02Å; G319-I322 PolarHBondContact O-N 2.86Å; G319-T323 PolarHBondContact O-N 2.97Å; G319-T323 PolarHBondContact O-OG1 3.12Å
320A80.7Confident78.5Confident58 Ų5878.2 Ų78.248%0.47950%0.503SS..Hα-helixtrans-64.8-39.9177.600000112.6V316 L317 F318 T323 G324V316-A320 WeakPolarHBondContact O-CB 3.45Å; V316-A320 PolarHBondContact O-N 3.35Å; L317-A320 PolarHBondContact O-N 3.36Å; F318-A320 PolarHBondContact O-N 2.86Å; A320-T323 WeakPolarHBondContact CA-OG1 3.41Å; A320-T323 PolarHBondContact O-OG1 3.32Å; A320-G324 PolarHBondContact O-N 3.12Å
321V83.6Confident78.9Confident102 Ų10282.2 Ų82.262%0.61851%0.512SS*.Hα-helixtrans-64.4-44.5176.21720000111.1L317 F318 G324 A325L317-V321 WeakPolarHBondContact O-CG2 3.49Å; L317-V321 PolarHBondContact O-N 3.15Å; F318-V321 PolarHBondContact O-N 2.83Å; V321-G324 PolarHBondContact O-N 3.33Å; V321-A325 WeakPolarHBondContact O-CB 3.31Å; V321-A325 PolarHBondContact O-N 3.05Å
322I82.4Confident78.9Confident90 Ų9087.5 Ų87.546%0.46253%0.526SS..Hα-helixtrans-64.2-45.8178.6-69.5-176.2000111F318 G319 G324 A325 V326F318-I322 HydrophobicContact CD1-CD1 3.8Å; F318-I322 HydrophobicContact CD1-CG1 4.39Å; F318-I322 HydrophobicContact CE1-CD1 3.63Å; F318-I322 HydrophobicContact CE1-CG1 4.37Å; F318-I322 WeakPolarHBondContact O-CG1 3.5Å; F318-I322 PolarHBondContact O-N 3.19Å; F318-I322 VanDerWaalsContact O-N 3.08Å; G319-I322 PolarHBondContact O-N 2.86Å; I322-G324 PolarHBondContact O-N 3.14Å; I322-A325 PolarHBondContact O-N 2.85Å; I322-V326 HydrophobicContact CG2-CG2 4.42Å; I322-V326 WeakPolarHBondContact O-CG2 3.34Å; I322-V326 PolarHBondContact O-N 3.25Å
323T77.1Confident78.5Confident89 Ų8992.6 Ų92.655%0.54654%0.538SS..Hα-helixtrans-63.2-42.4177.726.60000111.7G319 A320 A325 V326 V327G319-T323 PolarHBondContact O-N 2.97Å; G319-T323 PolarHBondContact O-OG1 3.12Å; A320-T323 WeakPolarHBondContact CA-OG1 3.41Å; A320-T323 PolarHBondContact O-OG1 3.32Å; T323-A325 PolarHBondContact O-N 3.15Å; T323-V326 PolarHBondContact O-N 3.09Å; T323-V327 VanDerWaalsContact O-CG2 3.3Å; T323-V327 WeakPolarHBondContact O-CG2 3.37Å; T323-V327 PolarHBondContact O-N 3.47Å
324G78.5Confident77.9Confident41 Ų41100.5 Ų100.542%0.42356%0.558SS.*Hα-helixtrans-58.8-45.4173.800000113A320 V321 I322 V327 A328A320-G324 PolarHBondContact O-N 3.12Å; V321-G324 PolarHBondContact O-N 3.33Å; I322-G324 PolarHBondContact O-N 3.14Å; G324-V327 PolarHBondContact O-N 2.85Å; G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 3.05Å
325A79.6Confident76.9Confident59 Ų59107.7 Ų107.749%0.48858%0.578SS.*Hα-helixtrans-64.3-41.5178.500000112.5V321 I322 T323 A328 A329V321-A325 WeakPolarHBondContact O-CB 3.31Å; V321-A325 PolarHBondContact O-N 3.05Å; I322-A325 PolarHBondContact O-N 2.85Å; T323-A325 PolarHBondContact O-N 3.15Å; A325-A328 PolarHBondContact O-N 3.41Å; A325-A329 WeakPolarHBondContact O-CB 3.39Å; A325-A329 PolarHBondContact O-N 3.46Å
326V80.6Confident75.4Confident83 Ų83106.2 Ų106.250%0.50358%0.578SS.*Hα-helixtrans-65.1-45.2176.8172.40000110.9I322 T323 A328 A329 V330I322-V326 HydrophobicContact CG2-CG2 4.42Å; I322-V326 WeakPolarHBondContact O-CG2 3.34Å; I322-V326 PolarHBondContact O-N 3.25Å; T323-V326 PolarHBondContact O-N 3.09Å; V326-A328 PolarHBondContact O-N 2.89Å; V326-A329 PolarHBondContact O-N 3.24Å; V326-V330 HydrophobicContact CG1-CG2 4.32Å; V326-V330 WeakPolarHBondContact O-CB 3.31Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.24Å; V326-V330 PolarHBondContact O-N 3.13Å
327V77.9Confident73.9Confident85 Ų85109.1 Ų109.152%0.51560%0.603SS.*Hα-helixtrans-61.8-44.8177.4172.40000110.7T323 G324 A329 V330 M331T323-V327 VanDerWaalsContact O-CG2 3.3Å; T323-V327 WeakPolarHBondContact O-CG2 3.37Å; T323-V327 PolarHBondContact O-N 3.47Å; G324-V327 PolarHBondContact O-N 2.85Å; V327-A329 PolarHBondContact O-N 3.47Å; V327-V330 PolarHBondContact O-N 3.4Å; V327-M331 HydrophobicContact CG1-CG 4.4Å; V327-M331 HydrophobicContact CG1-SD 4.08Å; V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.09Å; V327-M331 PolarHBondContact O-N 3.16Å
328A75.4Confident73.5Confident59 Ų59108.6 Ų108.649%0.48860%0.601SS.*Hα-helixtrans-61-43.8176.400000112.2G324 A325 V326 M331 W332G324-A328 WeakPolarHBondContact O-CB 3.48Å; G324-A328 PolarHBondContact O-N 3.05Å; A325-A328 PolarHBondContact O-N 3.41Å; V326-A328 PolarHBondContact O-N 2.89Å; A328-M331 PolarHBondContact O-N 3.43Å; A328-W332 WeakPolarHBondContact O-CB 3.49Å; A328-W332 PolarHBondContact O-N 3.01Å
329A75.5Confident73.1Confident55 Ų55106.9 Ų106.946%0.45560%0.601SS.*Hα-helixtrans-65-40.7177.300000112.7A325 V326 V327 W332 R333A325-A329 WeakPolarHBondContact O-CB 3.39Å; A325-A329 PolarHBondContact O-N 3.46Å; V326-A329 PolarHBondContact O-N 3.24Å; V327-A329 PolarHBondContact O-N 3.47Å; A329-W332 PolarHBondContact O-N 3.09Å; A329-R333 PolarHBondContact O-N 3.39Å
330V74.3Confident72.6Confident85 Ų85110.8 Ų110.852%0.51561%0.613SS.*Hα-helixtrans-65.9-44175.9170.70000110.8V326 V327 W332 R333 R334V326-V330 HydrophobicContact CG1-CG2 4.32Å; V326-V330 WeakPolarHBondContact O-CB 3.31Å; V326-V330 VanDerWaalsContact O-CG2 3.28Å; V326-V330 WeakPolarHBondContact O-CG2 3.24Å; V326-V330 PolarHBondContact O-N 3.13Å; V327-V330 PolarHBondContact O-N 3.4Å; V330-W332 VanDerWaalsContact C-N 3.33Å; V330-W332 PolarHBondContact O-N 3.28Å; V330-R333 PolarHBondContact O-N 3.15Å; V330-R334 WeakPolarHBondContact O-CB 3.37Å; V330-R334 PolarHBondContact O-N 2.83Å
331M73.9Confident72.1Confident130 Ų130113.9 Ų113.964%0.6462%0.621SS**Hα-helixtrans-63.1-38.8176.2-74.5-175.364.600112.1V327 A328 R334 K335V327-M331 HydrophobicContact CG1-CG 4.4Å; V327-M331 HydrophobicContact CG1-SD 4.08Å; V327-M331 WeakPolarHBondContact O-CB 3.42Å; V327-M331 WeakPolarHBondContact O-CG 3.09Å; V327-M331 PolarHBondContact O-N 3.16Å; A328-M331 PolarHBondContact O-N 3.43Å; M331-R334 PolarHBondContact O-N 3.16Å; M331-K335 PolarHBondContact O-N 3.39Å
332W72.5Confident71.4Confident203 Ų203114.7 Ų114.777%0.76962%0.621SS**Hα-helixtrans-64.6-46.8175.5-161.5-8000111.2A328 A329 V330 R334 K335 S336A328-W332 WeakPolarHBondContact O-CB 3.49Å; A328-W332 PolarHBondContact O-N 3.01Å; A329-W332 PolarHBondContact O-N 3.09Å; V330-W332 VanDerWaalsContact C-N 3.33Å; V330-W332 PolarHBondContact O-N 3.28Å; W332-R334 VanDerWaalsContact C-N 3.27Å; W332-R334 PolarHBondContact O-N 3.31Å; W332-K335 PolarHBondContact O-N 2.8Å; W332-K335 VanDerWaalsContact O-N 3.08Å; W332-S336 PolarHBondContact O-N 3.26Å; W332-S336 VanDerWaalsContact O-N 3.15Å; W332-S336 PolarHBondContact O-OG 3.03Å
333R68.1Low70.7Confident204 Ų204116.3 Ų116.377%0.7763%0.632SS**Hα-helixtrans-58.7-36.1174.7-94.6-173.2175179-0.4113.4A329 V330 K335 S336A329-R333 PolarHBondContact O-N 3.39Å; V330-R333 PolarHBondContact O-N 3.15Å; R333-K335 VanDerWaalsContact C-N 3.3Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-OG 2.94Å
334R63.7Low70.2Confident216 Ų216118.3 Ų118.382%0.81564%0.638SS**Hα-helixtrans-73.1-21.4178.3-125.9-179.5-179.9-175.4-0.3113.6V330 M331 W332V330-R334 WeakPolarHBondContact O-CB 3.37Å; V330-R334 PolarHBondContact O-N 2.83Å; M331-R334 PolarHBondContact O-N 3.16Å; W332-R334 VanDerWaalsContact C-N 3.27Å; W332-R334 PolarHBondContact O-N 3.31Å
335K58.2Low69.6Low189 Ų189124.2 Ų124.282%0.82265%0.654SS**Hα-helixtrans-93.9-14.3179.4-145.6178.6-174.8-175.70112.6M331 W332 R333M331-K335 PolarHBondContact O-N 3.39Å; W332-K335 PolarHBondContact O-N 2.8Å; W332-K335 VanDerWaalsContact O-N 3.08Å; R333-K335 VanDerWaalsContact C-N 3.3Å
336S54.8Low68.8Low88 Ų88129.7 Ų129.762%0.61567%0.668SS**  trans-102.913.3178.7620000113.8W332 R333W332-S336 PolarHBondContact O-N 3.26Å; W332-S336 VanDerWaalsContact O-N 3.15Å; W332-S336 PolarHBondContact O-OG 3.03Å; R333-S336 WeakPolarHBondContact CA-OG 3.3Å; R333-S336 PolarHBondContact O-OG 2.94Å
337S50.6Low67.7Low159 Ų159133.9 Ų133.9100%1.11268%0.683SS**  trans-1210173.4-171.10000110.2

Retrieved 337 of 337 residues in 518.4 ms (Link to these results)

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