A0A060X3E5_ONCMY Loading...

Alpha-galactosidase

AlphaFold DB , UniProt , Accession A0A060X3E5, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110529695, Length 434 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
1M36.1Very low37.5Very low220 Ų220145.5 Ų145.5100%1.08482%0.816SS**  0104.80-81160.562.300108.9F3M1-F3 HydrophobicContact CE-CE2 4.4Å
2R31.3Very low37.5Very low256 Ų256146.7 Ų146.797%0.96682%0.818SS**  trans-125105.3168.1-75.4-172174.6-175.62.5106.4
3F36Very low37.9Very low186 Ų186150.2 Ų150.282%0.81682%0.82SS**  trans-78.1118172.8-84.5-89000108M1M1-F3 HydrophobicContact CE-CE2 4.4Å
4A37.9Very low38Very low102 Ų102148.2 Ų148.284%0.84381%0.814SS**  trans-86.5116.116600000107.7
5V38.4Very low38.4Very low126 Ų126144.1 Ų144.176%0.76481%0.808SS**  trans-82.9113.5173176.20000107.3L7V5-L7 PolarHBondContact O-N 3.4Å
6A37.8Very low39Very low92 Ų92138.3 Ų138.376%0.7678%0.777SS**  trans-76.8115.2169.800000108.7C8A6-C8 PolarHBondContact O-N 3.25Å
7L36.4Very low39.9Very low151 Ų151138.4 Ų138.479%0.79177%0.774SS**  trans-84.6101.3174-145.486.9000108.1V5 V9V5-L7 PolarHBondContact O-N 3.4Å; L7-V9 PolarHBondContact O-N 2.92Å
8C37.7Very low41.1Very low113 Ų113132.1 Ų132.176%0.76474%0.743SS**  trans-70.8110.4167.7-82.40000109A6 L10A6-C8 PolarHBondContact O-N 3.25Å; C8-L10 PolarHBondContact O-N 2.84Å
9V40.4Very low43Very low128 Ų128126.5 Ų126.578%0.77671%0.711SS**  trans-76.4100.1167.8179.10000107.3L7 A11L7-V9 PolarHBondContact O-N 2.92Å; V9-A11 PolarHBondContact O-N 3.46Å
10L40.2Very low44.9Very low151 Ų151126.5 Ų126.579%0.79171%0.709SS**  trans-69.8110.8164.6-108.696.9000107.8C8 L12C8-L10 PolarHBondContact O-N 2.84Å; L10-L12 PolarHBondContact O-N 3.4Å; L10-L12 VanDerWaalsContact O-N 3.09Å
11A40.1Very low46.9Very low76 Ų76122.3 Ų122.363%0.62869%0.685SS**  trans-67.9103.1164.600000108.2V9 F13V9-A11 PolarHBondContact O-N 3.46Å; A11-F13 PolarHBondContact O-N 3.05Å
12L37.8Very low49.6Very low159 Ų159113.9 Ų113.983%0.83266%0.655SS**  trans-65.8100.6166.2-87.4150.1000107.8L10 V14L10-L12 PolarHBondContact O-N 3.4Å; L10-L12 VanDerWaalsContact O-N 3.09Å; L12-V14 PolarHBondContact O-N 3.38Å; L12-V14 VanDerWaalsContact O-N 3.1Å
13F43.3Very low52.7Low192 Ų192103.4 Ų103.484%0.84262%0.618SS**  trans-64.3108.1161.7-77.6-88.5000107.1A11 A15A11-F13 PolarHBondContact O-N 3.05Å; F13-A15 VanDerWaalsContact C-N 3.29Å; F13-A15 PolarHBondContact O-N 3.26Å
14V39Very low55.6Low123 Ų12395.2 Ų95.275%0.74558%0.582SS**  trans-67.997.4166-179.20000105.7L12 T16L12-V14 PolarHBondContact O-N 3.38Å; L12-V14 VanDerWaalsContact O-N 3.1Å; V14-T16 VanDerWaalsContact C-N 3.28Å; V14-T16 HydrophobicContact CG1-CG2 4.39Å; V14-T16 PolarHBondContact O-N 3.21Å
15A43.3Very low58.5Low87 Ų8795.3 Ų95.372%0.71956%0.561SS**  trans-66.393.7169.300000107.3F13 L17F13-A15 VanDerWaalsContact C-N 3.29Å; F13-A15 PolarHBondContact O-N 3.26Å; A15-L17 PolarHBondContact O-N 3.27Å
16T49.1Very low61.3Low51 Ų5191.4 Ų91.431%0.31354%0.537SS..  trans-65.4117.3168.342.90000107.5V14 A18 T205 R249V14-T16 VanDerWaalsContact C-N 3.28Å; V14-T16 HydrophobicContact CG1-CG2 4.39Å; V14-T16 PolarHBondContact O-N 3.21Å; T16-A18 PolarHBondContact O-N 3.09Å; T16-T205 HydrophobicContact CG2-CG2 4.07Å; T16-R249 PolarHBondContact O-NH1 3.49Å; T16-R249 PolarHBondContact OG1-NH1 3.48Å; T16-R249 PolarHBondContact OG1-NH2 3.43Å
17L53.6Low64.2Low139 Ų13987 Ų8773%0.72850%0.501SS*.  trans-63.5115.4177.6-67.1166.8000107.9A15 E209A15-L17 PolarHBondContact O-N 3.27Å; L17-E209 WeakPolarHBondContact O-CG 3.18Å
18A61.9Low67.2Low26 Ų2680.1 Ų80.122%0.21547%0.465CS..  trans-79.1166.3172.600000110.2T16 D20 G208 R249T16-A18 PolarHBondContact O-N 3.09Å; A18-D20 PolarHBondContact O-N 2.88Å; A18-G208 CarbonylContact C-O 3.52Å; A18-G208 WeakPolarHBondContact CA-O 3.36Å; A18-R249 HydrophobicContact CB-CG 4.22Å
19L77.3Confident70.1Confident26 Ų2675 Ų7514%0.13643%0.43CS..  trans-54.5103.4165.2179.666.8000108.1N21 G208 E209L19-N21 HydrophobicContact CD2-CB 4.48Å; L19-N21 WeakPolarHBondContact CD2-ND2 3.37Å; L19-N21 HydrophobicContact CG-CB 4.21Å; L19-N21 PolarHBondContact O-N 3.33Å; L19-G208 PolarHBondContact N-O 3.43Å; L19-E209 WeakPolarHBondContact CA-O 3.46Å; L19-E209 WeakPolarHBondContact CB-O 3.3Å; L19-E209 WeakPolarHBondContact CD1-O 3.45Å
20D80.1Confident72.9Confident126 Ų12668.9 Ų68.967%0.67439%0.393SS*.  trans-89.852.7-173.7-160.522.8000111.5A18 R25A18-D20 PolarHBondContact O-N 2.88Å; D20-R25 IonicContact OD1-CZ 3.94Å; D20-R25 IonicContact OD1-NH1 2.7Å; D20-R25 IonicContact OD1-NH2 4Å; D20-R25 PolarHBondContact OD1-NH2 3Å
21N88.1Confident75.7Confident39 Ų3961.7 Ų61.721%0.20936%0.355CS..SBendtrans-85.43.6175.570.4-3.1000113.1L19 L23 N212L19-N21 HydrophobicContact CD2-CB 4.48Å; L19-N21 WeakPolarHBondContact CD2-ND2 3.37Å; L19-N21 HydrophobicContact CG-CB 4.21Å; L19-N21 PolarHBondContact O-N 3.33Å; N21-L23 PolarHBondContact O-N 3.05Å; N21-L23 PolarHBondContact OD1-N 3.01Å; N21-L23 VanDerWaalsContact OD1-N 3.14Å; N21-N212 PolarHBondContact ND2-ND2 3.06Å; N21-N212 PolarHBondContact ND2-OD1 3.1Å; N21-N212 PolarHBondContact OD1-ND2 3.07Å
22G91.8Very high78.5Confident43 Ų4358.6 Ų58.644%0.44333%0.328SS..SBendtrans76.2-1.7178.900000115.7
23L96.8Very high81.4Confident35 Ų3551 Ų5118%0.18329%0.289CS..  trans-95163.9-175.4-59.6179.9000112.8N21 R25 P184N21-L23 PolarHBondContact O-N 3.05Å; N21-L23 PolarHBondContact OD1-N 3.01Å; N21-L23 VanDerWaalsContact OD1-N 3.14Å; L23-R25 VanDerWaalsContact C-N 3.27Å; L23-R25 PolarHBondContact O-N 3.2Å; L23-R25 VanDerWaalsContact O-N 3.14Å; L23-P184 HydrophobicContact CD1-CB 3.93Å; L23-P184 HydrophobicContact CD2-CB 4.18Å; L23-P184 HydrophobicContact CG-CB 4.23Å
24M97.4Very high84.1Confident14 Ų1443.5 Ų43.57%0.06926%0.255CS..  trans50.443.4169.8-58.7177.5179.800113.3T26 P28 Y75 M154 N212 L213 G248 W250M24-T26 CarbonylContact C-O 3.59Å; M24-T26 WeakPolarHBondContact CA-O 3.38Å; M24-T26 PolarHBondContact O-N 3.07Å; M24-T26 VanDerWaalsContact O-O 3.12Å; M24-P28 HydrophobicContact CE-CB 4.11Å; M24-P28 HydrophobicContact CE-CG 4.23Å; M24-P28 HydrophobicContact CG-CB 4.2Å; M24-P28 HydrophobicContact CG-CG 4.36Å; M24-P28 HydrophobicContact SD-CB 4.19Å; M24-P28 HydrophobicContact SD-CG 3.91Å; M24-Y75 HydrophobicContact CE-CE1 4.41Å; M24-M154 HydrophobicContact CE-CE 4.34Å; M24-M154 HydrophobicContact CE-CG 4.04Å; M24-M154 HydrophobicContact CE-SD 3.65Å; M24-N212 HydrophobicContact CB-CB 4.34Å; M24-N212 HydrophobicContact CG-CB 4.33Å; M24-N212 HydrophobicContact SD-CB 3.36Å; M24-N212 WeakPolarHBondContact SD-CB 3.45Å; M24-L213 HydrophobicContact CE-CD2 4Å; M24-L213 HydrophobicContact SD-CD2 3.48Å; M24-L213 WeakPolarHBondContact SD-CD2 3.44Å; M24-G248 WeakPolarHBondContact O-CA 3.34Å; M24-G248 PolarHBondContact O-N 3.14Å; M24-W250 PolarHBondContact O-NE1 3.46Å
25R97.6Very high86.9Confident104 Ų10438.2 Ų38.239%0.39222%0.222SC..SBendtrans-65.2-20.3175.9-62-54.7-168.2-175.92.2113D20 L23 P247 W250D20-R25 IonicContact OD1-CZ 3.94Å; D20-R25 IonicContact OD1-NH1 2.7Å; D20-R25 IonicContact OD1-NH2 4Å; D20-R25 PolarHBondContact OD1-NH2 3Å; L23-R25 VanDerWaalsContact C-N 3.27Å; L23-R25 PolarHBondContact O-N 3.2Å; L23-R25 VanDerWaalsContact O-N 3.14Å; R25-P247 WeakPolarHBondContact O-CA 3.49Å; R25-P247 WeakPolarHBondContact O-CB 3.39Å; R25-W250 WeakPolarHBondContact O-CZ2 3.43Å
26T98.6Very high89.6Confident44 Ų4437 Ų3727%0.2720%0.199SC..SBendtrans-117.9162.7159.955.80000108.5M24 W250 Q309M24-T26 CarbonylContact C-O 3.59Å; M24-T26 WeakPolarHBondContact CA-O 3.38Å; M24-T26 PolarHBondContact O-N 3.07Å; M24-T26 VanDerWaalsContact O-O 3.12Å; T26-W250 VanDerWaalsContact C-CZ2 3.42Å; T26-W250 PolarHBondContact O-NE1 2.76Å; T26-Q309 VanDerWaalsContact CG2-O 3.29Å; T26-Q309 WeakPolarHBondContact CG2-O 3.17Å; T26-Q309 PolarHBondContact OG1-OE1 3.03Å
27P98.8Very high91.9Very high1 Ų134.9 Ų34.91%0.00619%0.185CC..  trans-55.4136178.1-23.433.2000110.7W250 A279 A280 Q309P27-W250 HydrophobicContact CB-CD2 4.29Å; P27-W250 HydrophobicContact CG-CD2 3.92Å; P27-W250 HydrophobicContact CG-CE3 3.78Å; P27-W250 HydrophobicContact CG-CH2 3.93Å; P27-W250 HydrophobicContact CG-CZ2 4.08Å; P27-W250 HydrophobicContact CG-CZ3 3.79Å; P27-A279 HydrophobicContact CG-CB 4.31Å; P27-A279 WeakPolarHBondContact CG-O 3.33Å; P27-A280 VanDerWaalsContact CB-O 3.28Å; P27-A280 WeakPolarHBondContact CB-O 3.36Å; P27-Q309 PolarHBondContact O-NE2 3.49Å
28P98.8Very high94.1Very high5 Ų531.6 Ų31.63%0.03216%0.163CC..  trans-66.9144.1-178.927.4-33.2000111.1M24 Y75 L213 P281 L282 F283M24-P28 HydrophobicContact CE-CB 4.11Å; M24-P28 HydrophobicContact CE-CG 4.23Å; M24-P28 HydrophobicContact CG-CB 4.2Å; M24-P28 HydrophobicContact CG-CG 4.36Å; M24-P28 HydrophobicContact SD-CB 4.19Å; M24-P28 HydrophobicContact SD-CG 3.91Å; P28-Y75 HydrophobicContact CB-CD2 4.15Å; P28-Y75 HydrophobicContact CB-CE2 3.91Å; P28-L213 HydrophobicContact CG-CD1 4.11Å; P28-L213 HydrophobicContact CG-CD2 4.49Å; P28-P281 HydrophobicContact CG-CB 4.04Å; P28-P281 HydrophobicContact CG-CG 4.22Å; P28-P281 CarbonylContact O-C 3.48Å; P28-P281 VanDerWaalsContact O-CA 3.31Å; P28-P281 WeakPolarHBondContact O-CA 3.29Å; P28-L282 PolarHBondContact O-N 3.46Å; P28-F283 HydrophobicContact CB-CE1 4.21Å; P28-F283 HydrophobicContact CB-CE2 4.41Å; P28-F283 HydrophobicContact CB-CZ 3.66Å; P28-F283 HydrophobicContact CG-CE2 3.89Å; P28-F283 HydrophobicContact CG-CZ 3.62Å
29M98.9Very high95.8Very high5 Ų532.8 Ų32.83%0.02517%0.169CC..EExtended strand (participates in β ladder)trans-124136.4177.6-58.1176.854.300110G72 Y73 V74 Y75 L282 I305 Q309M29-G72 WeakPolarHBondContact CB-O 3.48Å; M29-Y73 HydrophobicContact CB-CD1 3.97Å; M29-Y73 HydrophobicContact CB-CE1 4.34Å; M29-Y73 HydrophobicContact CB-CG 4.33Å; M29-Y73 HydrophobicContact CE-CD1 4.05Å; M29-Y73 HydrophobicContact CE-CD2 3.62Å; M29-Y73 HydrophobicContact CE-CE1 3.8Å; M29-Y73 HydrophobicContact CE-CE2 3.35Å; M29-Y73 HydrophobicContact CE-CG 3.96Å; M29-Y73 VanDerWaalsContact CE-CZ 3.44Å; M29-V74 PolarHBondContact O-N 2.86Å; M29-Y75 WeakPolarHBondContact O-CD2 3.18Å; M29-Y75 PolarHBondContact O-N 2.77Å; M29-L282 WeakPolarHBondContact CA-O 3.4Å; M29-L282 HydrophobicContact CB-CB 4.42Å; M29-L282 HydrophobicContact CE-CD1 4.08Å; M29-L282 HydrophobicContact CG-CB 4.03Å; M29-L282 HydrophobicContact CG-CD1 4.31Å; M29-L282 HydrophobicContact CG-CG 4.39Å; M29-L282 HydrophobicContact SD-CD1 4.34Å; M29-I305 HydrophobicContact CE-CD1 4.18Å; M29-I305 HydrophobicContact CE-CG1 4.07Å; M29-I305 HydrophobicContact CE-CG2 3.73Å; M29-I305 HydrophobicContact SD-CG2 3.95Å; M29-Q309 HydrophobicContact SD-CG 3.52Å; M29-Q309 VanDerWaalsContact SD-CG 3.52Å
30G98.9Very high96.9Very high0 Ų033.8 Ų33.80%017%0.174CC..EExtended strand (participates in β ladder)trans176-149.2179.100000112.9Y75 L282 F283 M284G30-Y75 CarbonylContact C-O 3.59Å; G30-Y75 WeakPolarHBondContact CA-O 3.39Å; G30-L282 PolarHBondContact N-O 2.83Å; G30-F283 WeakPolarHBondContact O-CA 3.41Å; G30-M284 PolarHBondContact O-N 3.4Å
31W98.9Very high97.7Very high0 Ų031.6 Ų31.60%016%0.162CC..EExtended strand (participates in β ladder)trans-133.3140.5-179.1-179.597000110A33 F37 F56 M59 L63 Y75 V76 N77 M284 N286 L288W31-A33 VanDerWaalsContact CH2-CA 3.45Å; W31-A33 HydrophobicContact CH2-CB 3.52Å; W31-A33 HydrophobicContact CZ2-CB 4.45Å; W31-A33 HydrophobicContact CZ3-CB 3.73Å; W31-F37 HydrophobicContact CH2-CD2 4.15Å; W31-F37 HydrophobicContact CH2-CE2 4.31Å; W31-F37 AromaticContact CZ2-CD2 3.69Å; W31-F37 HydrophobicContact CZ2-CD2 3.69Å; W31-F37 AromaticContact CZ2-CE2 3.5Å; W31-F37 HydrophobicContact CZ2-CE2 3.5Å; W31-F37 HydrophobicContact CZ2-CZ 4.49Å; W31-F56 HydrophobicContact CH2-CE1 4.32Å; W31-F56 AromaticContact CZ3-CD1 3.87Å; W31-F56 HydrophobicContact CZ3-CD1 3.87Å; W31-F56 AromaticContact CZ3-CE1 3.76Å; W31-F56 HydrophobicContact CZ3-CE1 3.76Å; W31-M59 HydrophobicContact CD2-CB 4.32Å; W31-M59 HydrophobicContact CD2-CG 4.25Å; W31-M59 HydrophobicContact CE3-CB 4.37Å; W31-M59 HydrophobicContact CE3-CG 4.43Å; W31-M59 HydrophobicContact CH2-CG 3.84Å; W31-M59 HydrophobicContact CZ2-CE 4.37Å; W31-M59 HydrophobicContact CZ2-CG 3.61Å; W31-M59 HydrophobicContact CZ2-SD 4.1Å; W31-M59 HydrophobicContact CZ3-CB 4.49Å; W31-M59 HydrophobicContact CZ3-CG 4.25Å; W31-L63 HydrophobicContact CB-CD1 3.98Å; W31-L63 HydrophobicContact CB-CD2 4.37Å; W31-L63 HydrophobicContact CG-CD1 4.45Å; W31-Y75 PolarHBondContact N-O 2.81Å; W31-V76 HydrophobicContact CE3-CG1 4.3Å; W31-N77 WeakPolarHBondContact O-CB 3.42Å; W31-N77 PolarHBondContact O-N 2.85Å; W31-M284 CarbonylContact C-O 3.59Å; W31-M284 WeakPolarHBondContact CA-O 3.47Å; W31-N286 PolarHBondContact NE1-O 2.81Å; W31-L288 HydrophobicContact CG-CD1 4.31Å
32L98.9Very high98.2Very high11 Ų1132.9 Ų32.96%0.05817%0.169CC..EExtended strand (participates in β ladder)trans-134.7135.3-179.2-170.3150.2000109.8W34 N77 D79 K156 M255 F283 M284 S285L32-W34 HydrophobicContact CD2-CB 3.46Å; L32-W34 VanDerWaalsContact CD2-CB 3.46Å; L32-W34 VanDerWaalsContact CD2-N 3.35Å; L32-W34 PolarHBondContact O-N 3.34Å; L32-N77 HydrophobicContact CB-CB 4.07Å; L32-N77 HydrophobicContact CD1-CB 4.04Å; L32-N77 HydrophobicContact CG-CB 3.94Å; L32-D79 HydrophobicContact CD2-CB 4.05Å; L32-D79 WeakPolarHBondContact CD2-OD2 3.44Å; L32-K156 HydrophobicContact CD1-CD 4.47Å; L32-M255 HydrophobicContact CB-CG 4.4Å; L32-M255 HydrophobicContact CB-SD 4.31Å; L32-M255 HydrophobicContact CD2-CE 4.42Å; L32-M255 HydrophobicContact CD2-CG 4.18Å; L32-M255 HydrophobicContact CD2-SD 3.29Å; L32-M255 WeakPolarHBondContact CD2-SD 3.48Å; L32-M255 HydrophobicContact CG-SD 4.31Å; L32-F283 HydrophobicContact CB-CB 4.24Å; L32-M284 PolarHBondContact N-O 3.3Å; L32-S285 WeakPolarHBondContact O-CA 3.33Å; L32-S285 WeakPolarHBondContact O-CB 3.39Å; L32-S285 PolarHBondContact O-OG 3.44Å
33A98.9Very high98.5Very high0 Ų032.7 Ų32.70%016%0.16CC..SBendtrans-72.7-23.2-168.400000115.8W31 F37 I51 F56 N77W31-A33 VanDerWaalsContact CH2-CA 3.45Å; W31-A33 HydrophobicContact CH2-CB 3.52Å; W31-A33 HydrophobicContact CZ2-CB 4.45Å; W31-A33 HydrophobicContact CZ3-CB 3.73Å; A33-F37 WeakPolarHBondContact O-CB 3.37Å; A33-F37 PolarHBondContact O-N 3.12Å; A33-I51 HydrophobicContact CB-CD1 4.25Å; A33-F56 HydrophobicContact CB-CE1 3.92Å; A33-F56 HydrophobicContact CB-CZ 4.05Å; A33-N77 PolarHBondContact N-O 2.87Å
34W98.9Very high98.6Very high35 Ų3539.3 Ų39.313%0.13319%0.19CC..Hα-helixtrans-60.6-58.7-160.1-172.8-120.1000115.3L32 R36 R38 C39 D79 D80 M255L32-W34 HydrophobicContact CD2-CB 3.46Å; L32-W34 VanDerWaalsContact CD2-CB 3.46Å; L32-W34 VanDerWaalsContact CD2-N 3.35Å; L32-W34 PolarHBondContact O-N 3.34Å; W34-R36 VanDerWaalsContact C-N 3.35Å; W34-R36 PolarHBondContact O-N 3.27Å; W34-R38 WeakPolarHBondContact O-CA 3.39Å; W34-R38 WeakPolarHBondContact O-CD 3.43Å; W34-R38 WeakPolarHBondContact O-CG 3.42Å; W34-R38 PolarHBondContact O-N 3.37Å; W34-R38 PolarHBondContact O-NE 2.58Å; W34-C39 HydrophobicContact CZ3-CB 4.35Å; W34-D79 HydrophobicContact CB-CB 3.84Å; W34-D79 HydrophobicContact CE3-CB 4.28Å; W34-D80 HydrophobicContact CE3-CB 4.32Å; W34-D80 HydrophobicContact CH2-CB 4.35Å; W34-D80 HydrophobicContact CZ3-CB 3.78Å; W34-M255 HydrophobicContact CB-CE 4.03Å; W34-M255 HydrophobicContact CB-SD 4Å; W34-M255 HydrophobicContact CG-CE 4.34Å
35E98.8Very high98.6Very high11 Ų1145 Ų455%0.05122%0.221CC..Hα-helixtrans-60.2-46.4-170.1-155.4-72.2136.400111.6R38 I220 D222 M255 V257 S285E35-R38 PolarHBondContact O-NE 2.96Å; E35-R38 IonicContact OE1-CZ 3.83Å; E35-R38 IonicContact OE1-NH2 3.07Å; E35-R38 PolarHBondContact OE1-NH2 2.82Å; E35-I220 HydrophobicContact CG-CG2 4.11Å; E35-D222 VanDerWaalsContact OE1-CB 3.3Å; E35-D222 WeakPolarHBondContact OE1-CB 3.37Å; E35-D222 PolarHBondContact OE1-N 3.17Å; E35-M255 HydrophobicContact CB-CE 3.73Å; E35-M255 HydrophobicContact CB-SD 3.81Å; E35-M255 HydrophobicContact CG-CE 4.41Å; E35-V257 HydrophobicContact CB-CG1 4.33Å; E35-V257 HydrophobicContact CG-CG1 3.49Å; E35-V257 VanDerWaalsContact CG-CG1 3.49Å; E35-S285 WeakPolarHBondContact CB-OG 3.5Å; E35-S285 PolarHBondContact N-OG 3.21Å
36R98.8Very high98.7Very high62 Ų6242.6 Ų42.623%0.23422%0.216CC..Hα-helixtrans-81.2-38.1-176.317958.7-176.788.85.2114.9W34 D260 S285W34-R36 VanDerWaalsContact C-N 3.35Å; W34-R36 PolarHBondContact O-N 3.27Å; R36-D260 VanDerWaalsContact CD-OD1 3.28Å; R36-D260 WeakPolarHBondContact CD-OD1 3.44Å; R36-D260 IonicContact NE-OD1 2.69Å; R36-S285 WeakPolarHBondContact CB-O 3.43Å; R36-S285 PolarHBondContact N-OG 2.73Å; R36-S285 VanDerWaalsContact N-OG 3.15Å
37F98.9Very high98.6Very high7 Ų744 Ų443%0.03123%0.225CC..Hα-helixtrans-109.4-16.7-170.4-61.1-86.9000113.7W31 A33 C39 D40 N49 I51 L55 M59 D287W31-F37 HydrophobicContact CH2-CD2 4.15Å; W31-F37 HydrophobicContact CH2-CE2 4.31Å; W31-F37 AromaticContact CZ2-CD2 3.69Å; W31-F37 HydrophobicContact CZ2-CD2 3.69Å; W31-F37 AromaticContact CZ2-CE2 3.5Å; W31-F37 HydrophobicContact CZ2-CE2 3.5Å; W31-F37 HydrophobicContact CZ2-CZ 4.49Å; A33-F37 WeakPolarHBondContact O-CB 3.37Å; A33-F37 PolarHBondContact O-N 3.12Å; F37-C39 PolarHBondContact O-N 3Å; F37-D40 PolarHBondContact O-N 3.35Å; F37-N49 HydrophobicContact CD1-CB 4.09Å; F37-N49 WeakPolarHBondContact CD1-O 3.28Å; F37-N49 HydrophobicContact CE1-CB 4.22Å; F37-I51 HydrophobicContact CB-CD1 3.76Å; F37-L55 HydrophobicContact CB-CD2 4.19Å; F37-L55 HydrophobicContact CD1-CD1 3.95Å; F37-L55 HydrophobicContact CD1-CD2 3.91Å; F37-L55 HydrophobicContact CD2-CD2 4.44Å; F37-L55 HydrophobicContact CE1-CD1 3.61Å; F37-L55 HydrophobicContact CE1-CD2 4.43Å; F37-L55 HydrophobicContact CE2-CD1 4.46Å; F37-L55 HydrophobicContact CG-CD1 4.48Å; F37-L55 HydrophobicContact CG-CD2 3.91Å; F37-L55 HydrophobicContact CZ-CD1 3.89Å; F37-M59 HydrophobicContact CE1-CE 4.46Å; F37-M59 HydrophobicContact CE2-CE 4.13Å; F37-M59 HydrophobicContact CZ-CE 3.63Å; F37-D287 HydrophobicContact CZ-CB 3.89Å
38R98.6Very high98.6Very high70 Ų7050.9 Ų50.926%0.26426%0.255SS..THydrogen-bonded Turntrans49.7-134.1172.7-58.4-73.4171.6155.18.2111.4W34 E35 I51 E221W34-R38 WeakPolarHBondContact O-CA 3.39Å; W34-R38 WeakPolarHBondContact O-CD 3.43Å; W34-R38 WeakPolarHBondContact O-CG 3.42Å; W34-R38 PolarHBondContact O-N 3.37Å; W34-R38 PolarHBondContact O-NE 2.58Å; E35-R38 PolarHBondContact O-NE 2.96Å; E35-R38 IonicContact OE1-CZ 3.83Å; E35-R38 IonicContact OE1-NH2 3.07Å; E35-R38 PolarHBondContact OE1-NH2 2.82Å; R38-I51 WeakPolarHBondContact O-CD1 3.42Å; R38-I51 WeakPolarHBondContact O-CG1 3.4Å; R38-E221 IonicContact CZ-OE2 3.57Å; R38-E221 IonicContact NH1-OE1 3.07Å; R38-E221 PolarHBondContact NH1-OE1 3.05Å; R38-E221 IonicContact NH1-OE2 2.74Å; R38-E221 PolarHBondContact NH1-OE2 3.37Å; R38-E221 IonicContact NH2-OE2 2.72Å; R38-E221 PolarHBondContact NH2-OE2 3.45Å
39C98.6Very high98.6Very high50 Ų5052.4 Ų52.434%0.33826%0.263SS..THydrogen-bonded Turntrans-108.937.7179.9-165.50000111.5W34 F37 I41 C81W34-C39 HydrophobicContact CZ3-CB 4.35Å; F37-C39 PolarHBondContact O-N 3Å; C39-I41 PolarHBondContact O-N 3.44Å; C39-C81 HydrophobicContact CB-CB 4.03Å; C39-C81 WeakPolarHBondContact CB-SG 3.43Å; C39-C81 WeakPolarHBondContact SG-CB 3.37Å; C39-C81 CovalentContact SG-SG 2.02Å; C39-C81 PolarHBondContact SG-SG 3.43Å
40D98.6Very high98.6Very high47 Ų4752.2 Ų52.225%0.25126%0.262SS..  trans-69.8114.7173.4-179.112.3000110.2F37 D42 C50 I51F37-D40 PolarHBondContact O-N 3.35Å; D40-D42 PolarHBondContact OD1-N 3.35Å; D40-C50 CarbonylContact O-C 3.49Å; D40-C50 VanDerWaalsContact O-CA 3.28Å; D40-C50 WeakPolarHBondContact O-CA 3.45Å; D40-I51 WeakPolarHBondContact O-CG1 3.47Å; D40-I51 PolarHBondContact O-N 2.82Å
41I98.6Very high98.6Very high80 Ų8052.3 Ų52.341%0.4126%0.263SS..  trans-1174.9179.460.9167.2000112.5C39 C43 C81C39-I41 PolarHBondContact O-N 3.44Å; I41-C43 VanDerWaalsContact C-N 3.26Å; I41-C43 PolarHBondContact O-N 3.41Å; I41-C81 HydrophobicContact CG2-CB 4.24Å
42D98.4Very high98.6Very high67 Ų6752.6 Ų52.636%0.35827%0.265SS..  trans-84.468.1-177.7-171-0.5000111.5D40 Q44 N45 D46D40-D42 PolarHBondContact OD1-N 3.35Å; D42-Q44 PolarHBondContact O-N 2.94Å; D42-Q44 VanDerWaalsContact O-N 3.08Å; D42-Q44 PolarHBondContact OD1-N 2.92Å; D42-N45 PolarHBondContact O-N 3.18Å; D42-N45 PolarHBondContact OD1-N 3.34Å; D42-N45 PolarHBondContact OD1-ND2 3.29Å; D42-N45 WeakPolarHBondContact OD2-CB 3.34Å; D42-N45 PolarHBondContact OD2-ND2 3.1Å; D42-D46 PolarHBondContact O-N 3.32Å
43C98.3Very high98.5Very high38 Ų3853.1 Ų53.126%0.25727%0.267SS..THydrogen-bonded Turntrans-68-5.6178.4-59.50000114.3I41 P47 C50I41-C43 VanDerWaalsContact C-N 3.26Å; I41-C43 PolarHBondContact O-N 3.41Å; C43-P47 WeakPolarHBondContact O-CA 3.2Å; C43-P47 WeakPolarHBondContact O-CB 3.36Å; C43-C50 WeakPolarHBondContact CA-SG 3.32Å; C43-C50 HydrophobicContact CB-CB 3.97Å; C43-C50 WeakPolarHBondContact CB-SG 3.23Å; C43-C50 WeakPolarHBondContact SG-CB 3.38Å; C43-C50 CovalentContact SG-SG 2.02Å; C43-C50 PolarHBondContact SG-SG 2.87Å
44Q97.8Very high98.5Very high175 Ų17556.7 Ų56.782%0.81829%0.289SS*.THydrogen-bonded Turntrans-80.4-43.9174.5-66.5-177.630.600110.6D42D42-Q44 PolarHBondContact O-N 2.94Å; D42-Q44 VanDerWaalsContact O-N 3.08Å; D42-Q44 PolarHBondContact OD1-N 2.92Å
45N98.3Very high98.5Very high132 Ų13255.1 Ų55.171%0.70628%0.283SS*.THydrogen-bonded Turntrans-97.2-26.7-177.6-59.1-56000113D42 P47D42-N45 PolarHBondContact O-N 3.18Å; D42-N45 PolarHBondContact OD1-N 3.34Å; D42-N45 PolarHBondContact OD1-ND2 3.29Å; D42-N45 WeakPolarHBondContact OD2-CB 3.34Å; D42-N45 PolarHBondContact OD2-ND2 3.1Å; N45-P47 VanDerWaalsContact C-CD 3.5Å
46D98.3Very high98.5Very high54 Ų5454.6 Ų54.629%0.28928%0.281SS..  trans-12964.9174.9-161.3-8.2000113.1D42 K48 N49 C50D42-D46 PolarHBondContact O-N 3.32Å; D46-K48 PolarHBondContact O-N 2.68Å; D46-N49 VanDerWaalsContact CG-ND2 3.26Å; D46-N49 PolarHBondContact O-N 3.4Å; D46-N49 PolarHBondContact OD1-N 2.78Å; D46-N49 PolarHBondContact OD1-ND2 2.85Å; D46-N49 WeakPolarHBondContact OD2-CB 3.35Å; D46-N49 PolarHBondContact OD2-ND2 3.43Å; D46-C50 WeakPolarHBondContact O-CB 3.25Å; D46-C50 PolarHBondContact O-N 2.97Å
47P97.9Very high98.6Very high73 Ų7353.7 Ų53.747%0.47428%0.277SS..THydrogen-bonded Turntrans-64.9-14.3-175.226.6-36.1000114.3C43 N45C43-P47 WeakPolarHBondContact O-CA 3.2Å; C43-P47 WeakPolarHBondContact O-CB 3.36Å; N45-P47 VanDerWaalsContact C-CD 3.5Å
48K97.9Very high98.6Very high146 Ų14655.5 Ų55.564%0.63529%0.287SS*.THydrogen-bonded Turntrans-93.1-23.8-178.4-69.9-173179.1-177.50112.7D46 R289D46-K48 PolarHBondContact O-N 2.68Å; K48-R289 PolarHBondContact O-NH1 2.82Å; K48-R289 PolarHBondContact O-NH2 2.78Å; K48-R289 VanDerWaalsContact O-NH2 3.11Å
49N98.5Very high98.6Very high37 Ų3752.2 Ų52.220%0.19828%0.275CS..THydrogen-bonded Turntrans-115.6-18.4-174.7-53.1-42.6000113.1F37 D46 R289F37-N49 HydrophobicContact CD1-CB 4.09Å; F37-N49 WeakPolarHBondContact CD1-O 3.28Å; F37-N49 HydrophobicContact CE1-CB 4.22Å; D46-N49 VanDerWaalsContact CG-ND2 3.26Å; D46-N49 PolarHBondContact O-N 3.4Å; D46-N49 PolarHBondContact OD1-N 2.78Å; D46-N49 PolarHBondContact OD1-ND2 2.85Å; D46-N49 WeakPolarHBondContact OD2-CB 3.35Å; D46-N49 PolarHBondContact OD2-ND2 3.43Å; N49-R289 PolarHBondContact OD1-NH2 2.83Å
50C98.8Very high98.6Very high1 Ų149.8 Ų49.81%0.00726%0.259CS..SBendtrans-58.7146.9176.175.80000112D40 C43 D46 S52D40-C50 CarbonylContact O-C 3.49Å; D40-C50 VanDerWaalsContact O-CA 3.28Å; D40-C50 WeakPolarHBondContact O-CA 3.45Å; C43-C50 WeakPolarHBondContact CA-SG 3.32Å; C43-C50 HydrophobicContact CB-CB 3.97Å; C43-C50 WeakPolarHBondContact CB-SG 3.23Å; C43-C50 WeakPolarHBondContact SG-CB 3.38Å; C43-C50 CovalentContact SG-SG 2.02Å; C43-C50 PolarHBondContact SG-SG 2.87Å; D46-C50 WeakPolarHBondContact O-CB 3.25Å; D46-C50 PolarHBondContact O-N 2.97Å; C50-S52 PolarHBondContact O-N 3.12Å; C50-S52 PolarHBondContact O-OG 3.06Å; C50-S52 VanDerWaalsContact O-OG 3.07Å
51I98.9Very high98.6Very high2 Ų248.6 Ų48.61%0.0125%0.252CS..SBendtrans-63.697.1175.1-57.2-54.6000109.1A33 F37 R38 D40 L55 F56 R99 F100A33-I51 HydrophobicContact CB-CD1 4.25Å; F37-I51 HydrophobicContact CB-CD1 3.76Å; R38-I51 WeakPolarHBondContact O-CD1 3.42Å; R38-I51 WeakPolarHBondContact O-CG1 3.4Å; D40-I51 WeakPolarHBondContact O-CG1 3.47Å; D40-I51 PolarHBondContact O-N 2.82Å; I51-L55 HydrophobicContact CD1-CD2 4.03Å; I51-F56 HydrophobicContact CG2-CE2 4.08Å; I51-F56 HydrophobicContact CG2-CZ 4.29Å; I51-R99 WeakPolarHBondContact O-CD 3.35Å; I51-R99 PolarHBondContact O-NH1 2.91Å; I51-F100 HydrophobicContact CG2-CE2 4.47Å; I51-F100 HydrophobicContact CG2-CZ 4.17Å
52S98.9Very high98.6Very high7 Ų748 Ų485%0.04925%0.245CC..SBendtrans-149.8161.3-173.663.30000111.1C50 V54 L55 F56 R99C50-S52 PolarHBondContact O-N 3.12Å; C50-S52 PolarHBondContact O-OG 3.06Å; C50-S52 VanDerWaalsContact O-OG 3.07Å; S52-V54 PolarHBondContact O-N 3.44Å; S52-V54 VanDerWaalsContact O-N 3.14Å; S52-L55 WeakPolarHBondContact O-CB 3.29Å; S52-L55 PolarHBondContact O-N 3.23Å; S52-L55 VanDerWaalsContact O-N 3.11Å; S52-F56 WeakPolarHBondContact O-CD2 3.27Å; S52-F56 PolarHBondContact O-N 2.87Å; S52-R99 CarbonylContact C-O 3.57Å; S52-R99 WeakPolarHBondContact CA-O 3.17Å; S52-R99 WeakPolarHBondContact CB-O 3.28Å
53E98.8Very high98.6Very high22 Ų2244.8 Ų44.810%0.10323%0.228CC..Hα-helixtrans-58.1-28.7177.167.6170.6-109.100112.8F56 R57 R99 F100 P101 S102E53-F56 PolarHBondContact O-N 3.46Å; E53-R57 WeakPolarHBondContact O-CB 3.48Å; E53-R57 WeakPolarHBondContact O-CG 3.44Å; E53-R57 PolarHBondContact O-N 2.86Å; E53-R57 IonicContact OE1-CZ 2.76Å; E53-R57 IonicContact OE1-NE 3.27Å; E53-R57 PolarHBondContact OE1-NE 3.35Å; E53-R57 IonicContact OE1-NH2 3.99Å; E53-R57 PolarHBondContact OE1-NH2 3.4Å; E53-R99 PolarHBondContact N-O 2.92Å; E53-F100 HydrophobicContact CB-CD1 3.79Å; E53-F100 HydrophobicContact CB-CE1 4.42Å; E53-F100 HydrophobicContact CB-CG 4.42Å; E53-F100 VanDerWaalsContact OE2-C 3.24Å; E53-F100 WeakPolarHBondContact OE2-CA 3.41Å; E53-P101 WeakPolarHBondContact OE2-CD 3.35Å; E53-P101 VanDerWaalsContact OE2-N 3.15Å; E53-S102 PolarHBondContact OE1-OG 2.79Å; E53-S102 VanDerWaalsContact OE1-OG 3.11Å; E53-S102 WeakPolarHBondContact OE2-CB 3.43Å; E53-S102 PolarHBondContact OE2-N 2.69Å; E53-S102 PolarHBondContact OE2-OG 2.81Å
54V98.8Very high98.7Very high75 Ų7543.7 Ų43.746%0.45522%0.221SC..Hα-helixtrans-64.4-46177.61770000110.6S52 F56 R57 D58S52-V54 PolarHBondContact O-N 3.44Å; S52-V54 VanDerWaalsContact O-N 3.14Å; V54-F56 PolarHBondContact O-N 2.91Å; V54-R57 PolarHBondContact O-N 2.86Å; V54-D58 PolarHBondContact O-N 2.88Å
55L98.9Very high98.7Very high1 Ų141.1 Ų41.11%0.00521%0.209CC..Hα-helixtrans-56.5-48.8176.8177.566.1000111.3F37 I51 S52 R57 D58 M59F37-L55 HydrophobicContact CB-CD2 4.19Å; F37-L55 HydrophobicContact CD1-CD1 3.95Å; F37-L55 HydrophobicContact CD1-CD2 3.91Å; F37-L55 HydrophobicContact CD2-CD2 4.44Å; F37-L55 HydrophobicContact CE1-CD1 3.61Å; F37-L55 HydrophobicContact CE1-CD2 4.43Å; F37-L55 HydrophobicContact CE2-CD1 4.46Å; F37-L55 HydrophobicContact CG-CD1 4.48Å; F37-L55 HydrophobicContact CG-CD2 3.91Å; F37-L55 HydrophobicContact CZ-CD1 3.89Å; I51-L55 HydrophobicContact CD1-CD2 4.03Å; S52-L55 WeakPolarHBondContact O-CB 3.29Å; S52-L55 PolarHBondContact O-N 3.23Å; S52-L55 VanDerWaalsContact O-N 3.11Å; L55-R57 PolarHBondContact O-N 3.14Å; L55-D58 PolarHBondContact O-N 2.82Å; L55-M59 HydrophobicContact CD1-CE 3.59Å; L55-M59 HydrophobicContact CD1-CG 4.49Å; L55-M59 WeakPolarHBondContact O-CG 3.2Å; L55-M59 PolarHBondContact O-N 2.9Å
56F98.9Very high98.7Very high0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-69-33-178.3-64.4-75.6000112.9W31 A33 I51 S52 E53 V54 A60 V76 I78 F100 L107W31-F56 HydrophobicContact CH2-CE1 4.32Å; W31-F56 AromaticContact CZ3-CD1 3.87Å; W31-F56 HydrophobicContact CZ3-CD1 3.87Å; W31-F56 AromaticContact CZ3-CE1 3.76Å; W31-F56 HydrophobicContact CZ3-CE1 3.76Å; A33-F56 HydrophobicContact CB-CE1 3.92Å; A33-F56 HydrophobicContact CB-CZ 4.05Å; I51-F56 HydrophobicContact CG2-CE2 4.08Å; I51-F56 HydrophobicContact CG2-CZ 4.29Å; S52-F56 WeakPolarHBondContact O-CD2 3.27Å; S52-F56 PolarHBondContact O-N 2.87Å; E53-F56 PolarHBondContact O-N 3.46Å; V54-F56 PolarHBondContact O-N 2.91Å; F56-A60 VanDerWaalsContact O-CB 3.26Å; F56-A60 WeakPolarHBondContact O-CB 3.36Å; F56-A60 PolarHBondContact O-N 3.27Å; F56-V76 HydrophobicContact CD1-CG1 4.16Å; F56-I78 HydrophobicContact CD1-CG1 3.84Å; F56-I78 HydrophobicContact CD2-CG1 4.22Å; F56-I78 HydrophobicContact CE1-CB 4.02Å; F56-I78 HydrophobicContact CE1-CG1 3.59Å; F56-I78 HydrophobicContact CE1-CG2 4.43Å; F56-I78 HydrophobicContact CE2-CG1 4.03Å; F56-I78 HydrophobicContact CE2-CG2 4.33Å; F56-I78 HydrophobicContact CG-CG1 4.17Å; F56-I78 HydrophobicContact CZ-CB 3.99Å; F56-I78 HydrophobicContact CZ-CG1 3.71Å; F56-I78 HydrophobicContact CZ-CG2 3.89Å; F56-F100 AromaticContact CD2-CE1 3.78Å; F56-F100 HydrophobicContact CD2-CE1 3.78Å; F56-F100 HydrophobicContact CD2-CZ 4.14Å; F56-F100 AromaticContact CE2-CE1 3.86Å; F56-F100 HydrophobicContact CE2-CE1 3.86Å; F56-F100 AromaticContact CE2-CZ 3.75Å; F56-F100 HydrophobicContact CE2-CZ 3.75Å; F56-L107 HydrophobicContact CB-CD1 4.04Å; F56-L107 HydrophobicContact CB-CD2 4.01Å; F56-L107 HydrophobicContact CD2-CD2 4.36Å; F56-L107 HydrophobicContact CG-CD2 4.36Å
57R98.9Very high98.7Very high43 Ų4335.6 Ų35.616%0.16219%0.185CC..Hα-helixtrans-65.6-46.5172.6-71.9174.3-172.6-83.1-0111.3E53 V54 L55 M59 A60 D61 S102 N106 L107 Y110E53-R57 WeakPolarHBondContact O-CB 3.48Å; E53-R57 WeakPolarHBondContact O-CG 3.44Å; E53-R57 PolarHBondContact O-N 2.86Å; E53-R57 IonicContact OE1-CZ 2.76Å; E53-R57 IonicContact OE1-NE 3.27Å; E53-R57 PolarHBondContact OE1-NE 3.35Å; E53-R57 IonicContact OE1-NH2 3.99Å; E53-R57 PolarHBondContact OE1-NH2 3.4Å; V54-R57 PolarHBondContact O-N 2.86Å; L55-R57 PolarHBondContact O-N 3.14Å; R57-M59 VanDerWaalsContact C-N 3.33Å; R57-M59 PolarHBondContact O-N 3.19Å; R57-A60 PolarHBondContact O-N 3.14Å; R57-D61 PolarHBondContact O-N 3.45Å; R57-S102 PolarHBondContact NH2-OG 3.25Å; R57-N106 PolarHBondContact NH2-OD1 3.5Å; R57-L107 HydrophobicContact CG-CD1 3.95Å; R57-Y110 HydrophobicContact CB-CD1 4.22Å; R57-Y110 HydrophobicContact CB-CE1 3.62Å; R57-Y110 HydrophobicContact CG-CD1 3.72Å; R57-Y110 HydrophobicContact CG-CE1 3.59Å; R57-Y110 HydrophobicContact CG-CG 4.28Å
58D98.9Very high98.8Very high46 Ų4632.1 Ų32.125%0.24616%0.163CC..Hα-helixtrans-56.9-47.2176.6-84-2.6000111.3V54 L55 D61 R62 R289V54-D58 PolarHBondContact O-N 2.88Å; L55-D58 PolarHBondContact O-N 2.82Å; D58-D61 PolarHBondContact O-N 3.36Å; D58-R62 WeakPolarHBondContact O-CG 3.49Å; D58-R62 PolarHBondContact O-N 2.91Å; D58-R289 WeakPolarHBondContact OD2-CD 3.14Å; D58-R289 IonicContact OD2-NH1 3.87Å; D58-R289 PolarHBondContact OD2-NH1 2.91Å; D58-R289 VanDerWaalsContact OD2-NH1 3.12Å
59M98.9Very high98.8Very high0 Ų029.2 Ų29.20%015%0.148CC..Hα-helixtrans-65.7-43.8178.2-61.7-56.5158.200110.8W31 F37 L55 R57 D61 R62 L63 D287 L288 R289W31-M59 HydrophobicContact CD2-CB 4.32Å; W31-M59 HydrophobicContact CD2-CG 4.25Å; W31-M59 HydrophobicContact CE3-CB 4.37Å; W31-M59 HydrophobicContact CE3-CG 4.43Å; W31-M59 HydrophobicContact CH2-CG 3.84Å; W31-M59 HydrophobicContact CZ2-CE 4.37Å; W31-M59 HydrophobicContact CZ2-CG 3.61Å; W31-M59 HydrophobicContact CZ2-SD 4.1Å; W31-M59 HydrophobicContact CZ3-CB 4.49Å; W31-M59 HydrophobicContact CZ3-CG 4.25Å; F37-M59 HydrophobicContact CE1-CE 4.46Å; F37-M59 HydrophobicContact CE2-CE 4.13Å; F37-M59 HydrophobicContact CZ-CE 3.63Å; L55-M59 HydrophobicContact CD1-CE 3.59Å; L55-M59 HydrophobicContact CD1-CG 4.49Å; L55-M59 WeakPolarHBondContact O-CG 3.2Å; L55-M59 PolarHBondContact O-N 2.9Å; R57-M59 VanDerWaalsContact C-N 3.33Å; R57-M59 PolarHBondContact O-N 3.19Å; M59-D61 VanDerWaalsContact C-N 3.3Å; M59-D61 PolarHBondContact O-N 3.44Å; M59-R62 PolarHBondContact O-N 2.91Å; M59-R62 VanDerWaalsContact O-N 3.13Å; M59-L63 HydrophobicContact CB-CD1 4.31Å; M59-L63 WeakPolarHBondContact O-CD1 3.39Å; M59-L63 PolarHBondContact O-N 3.47Å; M59-D287 WeakPolarHBondContact CE-OD1 3.45Å; M59-L288 HydrophobicContact SD-CB 3.87Å; M59-L288 HydrophobicContact SD-CD1 4.34Å; M59-L288 HydrophobicContact SD-CG 4.19Å; M59-R289 HydrophobicContact CE-CG 4.26Å
60A98.9Very high98.8Very high0 Ų032.8 Ų32.80%016%0.163CC..Hα-helixtrans-58.6-40.4175.800000112.7F56 R57 L63 A64 V76 Y110 I111 L116F56-A60 VanDerWaalsContact O-CB 3.26Å; F56-A60 WeakPolarHBondContact O-CB 3.36Å; F56-A60 PolarHBondContact O-N 3.27Å; R57-A60 PolarHBondContact O-N 3.14Å; A60-L63 PolarHBondContact O-N 3.36Å; A60-A64 WeakPolarHBondContact O-CB 3.31Å; A60-A64 PolarHBondContact O-N 3.05Å; A60-V76 HydrophobicContact CB-CG2 4.32Å; A60-Y110 HydrophobicContact CB-CE1 4.49Å; A60-I111 HydrophobicContact CB-CG1 3.98Å; A60-L116 HydrophobicContact CB-CD1 3.93Å; A60-L116 VanDerWaalsContact O-CD1 3.28Å; A60-L116 WeakPolarHBondContact O-CD1 3.48Å
61D98.9Very high98.8Very high22 Ų2234.4 Ų34.412%0.11817%0.172CC..Hα-helixtrans-61.3-48.7173.4-72.1-37.1000110.8R57 D58 M59 L63 A64 E65 Y110 R114R57-D61 PolarHBondContact O-N 3.45Å; D58-D61 PolarHBondContact O-N 3.36Å; M59-D61 VanDerWaalsContact C-N 3.3Å; M59-D61 PolarHBondContact O-N 3.44Å; D61-L63 PolarHBondContact O-N 3.48Å; D61-A64 PolarHBondContact O-N 2.66Å; D61-E65 VanDerWaalsContact O-CB 3.27Å; D61-E65 WeakPolarHBondContact O-CB 3.44Å; D61-E65 VanDerWaalsContact O-CG 3.27Å; D61-E65 WeakPolarHBondContact O-CG 3.39Å; D61-E65 PolarHBondContact O-N 3.08Å; D61-Y110 PolarHBondContact OD1-OH 2.82Å; D61-Y110 VanDerWaalsContact OD1-OH 3.13Å; D61-Y110 PolarHBondContact OD2-OH 3.29Å; D61-R114 IonicContact OD1-CZ 3.16Å; D61-R114 IonicContact OD1-NE 3.98Å; D61-R114 PolarHBondContact OD1-NE 2.94Å; D61-R114 IonicContact OD1-NH2 3.46Å; D61-R114 PolarHBondContact OD1-NH2 3.19Å
62R98.9Very high98.8Very high67 Ų6735.8 Ų35.825%0.25319%0.186SC..Hα-helixtrans-61.4-43.5177.3-65.4-59.485.488.20.6112.3D58 M59 A64 E65 D66 L288 R289D58-R62 WeakPolarHBondContact O-CG 3.49Å; D58-R62 PolarHBondContact O-N 2.91Å; M59-R62 PolarHBondContact O-N 2.91Å; M59-R62 VanDerWaalsContact O-N 3.13Å; R62-A64 VanDerWaalsContact C-N 3.27Å; R62-A64 PolarHBondContact O-N 2.88Å; R62-E65 IonicContact CZ-OE2 3.83Å; R62-E65 IonicContact NE-OE2 2.98Å; R62-E65 IonicContact NH2-OE2 3.48Å; R62-E65 PolarHBondContact NH2-OE2 3.13Å; R62-E65 PolarHBondContact O-N 2.99Å; R62-D66 WeakPolarHBondContact CD-OD2 3.31Å; R62-D66 IonicContact NE-OD1 3.63Å; R62-D66 VanDerWaalsContact O-CB 3.27Å; R62-D66 WeakPolarHBondContact O-CB 3.44Å; R62-D66 PolarHBondContact O-N 2.88Å; R62-L288 HydrophobicContact CB-CB 3.81Å; R62-L288 HydrophobicContact CB-CD1 4.43Å; R62-L288 HydrophobicContact CG-CB 4.23Å; R62-R289 HydrophobicContact CG-CG 4.21Å
63L98.9Very high98.8Very high0 Ų035.4 Ų35.40%018%0.184CC..Hα-helixtrans-59.5-39.7176.5-86.194.9000111.9W31 M59 A60 D61 W68 R69 Y73 V76 L116 L288W31-L63 HydrophobicContact CB-CD1 3.98Å; W31-L63 HydrophobicContact CB-CD2 4.37Å; W31-L63 HydrophobicContact CG-CD1 4.45Å; M59-L63 HydrophobicContact CB-CD1 4.31Å; M59-L63 WeakPolarHBondContact O-CD1 3.39Å; M59-L63 PolarHBondContact O-N 3.47Å; A60-L63 PolarHBondContact O-N 3.36Å; D61-L63 PolarHBondContact O-N 3.48Å; L63-W68 HydrophobicContact CB-CB 4.4Å; L63-W68 HydrophobicContact CG-CB 4.29Å; L63-R69 WeakPolarHBondContact O-CB 3.37Å; L63-R69 PolarHBondContact O-N 2.8Å; L63-Y73 WeakPolarHBondContact CD2-O 3.33Å; L63-V76 HydrophobicContact CD1-CG2 4.3Å; L63-V76 HydrophobicContact CD2-CG2 4.29Å; L63-L116 HydrophobicContact CB-CD1 3.83Å; L63-L116 HydrophobicContact CB-CD2 4.1Å; L63-L116 HydrophobicContact CD2-CD2 4.37Å; L63-L288 HydrophobicContact CD1-CD1 3.31Å; L63-L288 HydrophobicContact CG-CD1 4.01Å
64A98.8Very high98.8Very high15 Ų1536 Ų3612%0.12419%0.189CC..Hα-helixtrans-79.6-27.8-177.200000114.3A60 D61 R62 R114 L116A60-A64 WeakPolarHBondContact O-CB 3.31Å; A60-A64 PolarHBondContact O-N 3.05Å; D61-A64 PolarHBondContact O-N 2.66Å; R62-A64 VanDerWaalsContact C-N 3.27Å; R62-A64 PolarHBondContact O-N 2.88Å; A64-R114 HydrophobicContact CB-CB 3.99Å; A64-R114 HydrophobicContact CB-CG 4.16Å; A64-L116 HydrophobicContact CB-CD1 4.46Å
65E98.6Very high98.8Very high121 Ų12133.2 Ų33.257%0.56517%0.17SC*.Hα-helixtrans-103.6-27.7-171.5-65.7172.8174.100113.4D61 R62D61-E65 VanDerWaalsContact O-CB 3.27Å; D61-E65 WeakPolarHBondContact O-CB 3.44Å; D61-E65 VanDerWaalsContact O-CG 3.27Å; D61-E65 WeakPolarHBondContact O-CG 3.39Å; D61-E65 PolarHBondContact O-N 3.08Å; R62-E65 IonicContact CZ-OE2 3.83Å; R62-E65 IonicContact NE-OE2 2.98Å; R62-E65 IonicContact NH2-OE2 3.48Å; R62-E65 PolarHBondContact NH2-OE2 3.13Å; R62-E65 PolarHBondContact O-N 2.99Å
66D98.6Very high98.8Very high45 Ų4533.1 Ų33.124%0.24117%0.17CC..SBendtrans-99.115.6-171.5-66.20.2000113.9R62 R296 Q300R62-D66 WeakPolarHBondContact CD-OD2 3.31Å; R62-D66 IonicContact NE-OD1 3.63Å; R62-D66 VanDerWaalsContact O-CB 3.27Å; R62-D66 WeakPolarHBondContact O-CB 3.44Å; R62-D66 PolarHBondContact O-N 2.88Å; D66-R296 IonicContact OD2-CZ 3.34Å; D66-R296 IonicContact OD2-NH1 2.71Å; D66-R296 IonicContact OD2-NH2 3.26Å; D66-R296 PolarHBondContact OD2-NH2 3.39Å; D66-Q300 PolarHBondContact O-NE2 3.03Å
67G98.3Very high98.8Very high24 Ų2433.4 Ų33.425%0.24717%0.171CC..SBendtrans87.40.417500000115.7E70 L71G67-E70 WeakPolarHBondContact CA-OE2 3.25Å; G67-L71 WeakPolarHBondContact O-CD1 3.19Å; G67-L71 VanDerWaalsContact O-CG 3.3Å; G67-L71 WeakPolarHBondContact O-CG 3.16Å; G67-L71 PolarHBondContact O-N 2.74Å
68W98.9Very high98.8Very high0 Ų031.4 Ų31.40%016%0.164CC..THydrogen-bonded Turntrans-68.8-44-177.5-58.4103.7000112.3L63 E70 L71 G72 Y73 M284 L288 I291 R296 L299 Q300L63-W68 HydrophobicContact CB-CB 4.4Å; L63-W68 HydrophobicContact CG-CB 4.29Å; W68-E70 VanDerWaalsContact C-N 3.32Å; W68-E70 PolarHBondContact O-N 2.87Å; W68-L71 CarbonylContact O-C 3.58Å; W68-L71 WeakPolarHBondContact O-CB 3.28Å; W68-L71 PolarHBondContact O-N 3.17Å; W68-L71 VanDerWaalsContact O-N 3.12Å; W68-G72 PolarHBondContact O-N 2.94Å; W68-Y73 HydrophobicContact CB-CD2 4.39Å; W68-Y73 AromaticContact CE3-CD2 3.89Å; W68-Y73 HydrophobicContact CE3-CD2 3.89Å; W68-Y73 HydrophobicContact CE3-CE2 4.01Å; W68-Y73 HydrophobicContact CE3-CG 4.45Å; W68-Y73 HydrophobicContact CZ3-CE2 4.37Å; W68-Y73 WeakPolarHBondContact O-CB 3.4Å; W68-Y73 PolarHBondContact O-N 2.89Å; W68-M284 HydrophobicContact CD2-CE 4.13Å; W68-M284 HydrophobicContact CE3-CE 3.84Å; W68-M284 HydrophobicContact CE3-SD 3.87Å; W68-M284 HydrophobicContact CH2-SD 4.05Å; W68-M284 HydrophobicContact CZ3-CE 4.19Å; W68-M284 HydrophobicContact CZ3-SD 3.59Å; W68-M284 VanDerWaalsContact CZ3-SD 3.59Å; W68-L288 HydrophobicContact CZ2-CD2 3.9Å; W68-I291 HydrophobicContact CH2-CD1 4.29Å; W68-I291 HydrophobicContact CZ2-CD1 4.35Å; W68-I291 HydrophobicContact CZ2-CG2 4.35Å; W68-R296 HydrophobicContact CH2-CB 4.37Å; W68-R296 HydrophobicContact CH2-CG 3.97Å; W68-R296 HydrophobicContact CZ2-CB 4.4Å; W68-R296 HydrophobicContact CZ2-CG 3.84Å; W68-L299 HydrophobicContact CH2-CB 3.82Å; W68-L299 HydrophobicContact CH2-CD1 4.3Å; W68-L299 HydrophobicContact CZ3-CB 3.58Å; W68-Q300 HydrophobicContact CD2-CG 4.27Å; W68-Q300 HydrophobicContact CE3-CG 3.61Å; W68-Q300 HydrophobicContact CH2-CG 3.66Å; W68-Q300 HydrophobicContact CZ2-CG 4.28Å; W68-Q300 HydrophobicContact CZ3-CB 4.49Å; W68-Q300 HydrophobicContact CZ3-CG 3.26Å
69R98.6Very high98.8Very high85 Ų8529.4 Ų29.432%0.32115%0.153SC..G310 helixtrans-59.5-43.4178.3-177.1-171.764.4-177.9-3.8111.7L63 L71 G72 Y73 V74 R114 L116L63-R69 WeakPolarHBondContact O-CB 3.37Å; L63-R69 PolarHBondContact O-N 2.8Å; R69-L71 PolarHBondContact O-N 2.87Å; R69-G72 PolarHBondContact O-N 2.94Å; R69-Y73 WeakPolarHBondContact CA-O 3.18Å; R69-V74 HydrophobicContact CG-CG1 4.27Å; R69-R114 VanDerWaalsContact CD-O 3.24Å; R69-R114 WeakPolarHBondContact CD-O 3.2Å; R69-R114 PolarHBondContact NH1-O 2.92Å; R69-L116 HydrophobicContact CB-CD2 4.03Å; R69-L116 HydrophobicContact CG-CD2 3.82Å
70E98.6Very high98.8Very high112 Ų11229.5 Ų29.552%0.52315%0.154SC..G310 helixtrans-64.7-24.9179.2-67.765.4-143.500112.2G67 W68G67-E70 WeakPolarHBondContact CA-OE2 3.25Å; W68-E70 VanDerWaalsContact C-N 3.32Å; W68-E70 PolarHBondContact O-N 2.87Å
71L98.8Very high98.8Very high35 Ų3529.5 Ų29.518%0.18315%0.154CC..G310 helixtrans-88.9-1.9174.6-66.9171.5000113.4G67 W68 R69 Y73 Q300 K302 I305G67-L71 WeakPolarHBondContact O-CD1 3.19Å; G67-L71 VanDerWaalsContact O-CG 3.3Å; G67-L71 WeakPolarHBondContact O-CG 3.16Å; G67-L71 PolarHBondContact O-N 2.74Å; W68-L71 CarbonylContact O-C 3.58Å; W68-L71 WeakPolarHBondContact O-CB 3.28Å; W68-L71 PolarHBondContact O-N 3.17Å; W68-L71 VanDerWaalsContact O-N 3.12Å; R69-L71 PolarHBondContact O-N 2.87Å; L71-Y73 HydrophobicContact CB-CD2 4.29Å; L71-Q300 HydrophobicContact CD1-CB 3.47Å; L71-Q300 VanDerWaalsContact CD1-CB 3.47Å; L71-Q300 HydrophobicContact CD1-CG 3.55Å; L71-K302 HydrophobicContact CD2-CD 4.4Å; L71-K302 HydrophobicContact CD2-CG 3.74Å; L71-I305 HydrophobicContact CB-CD1 3.99Å; L71-I305 HydrophobicContact CD1-CD1 4.4Å; L71-I305 HydrophobicContact CD2-CD1 4.41Å
72G98.7Very high98.8Very high31 Ų3128.7 Ų28.732%0.3215%0.149SC..THydrogen-bonded Turntrans103.8-4.6174.800000115.3M29 W68 R69 V74M29-G72 WeakPolarHBondContact CB-O 3.48Å; W68-G72 PolarHBondContact O-N 2.94Å; R69-G72 PolarHBondContact O-N 2.94Å; G72-V74 PolarHBondContact O-N 3.39Å
73Y98.9Very high98.8Very high0 Ų025.8 Ų25.80%014%0.139CC..  trans-71.997.1172-64.4-87.8000109.4M29 L63 W68 R69 L71 L282 M284 L299 I305M29-Y73 HydrophobicContact CB-CD1 3.97Å; M29-Y73 HydrophobicContact CB-CE1 4.34Å; M29-Y73 HydrophobicContact CB-CG 4.33Å; M29-Y73 HydrophobicContact CE-CD1 4.05Å; M29-Y73 HydrophobicContact CE-CD2 3.62Å; M29-Y73 HydrophobicContact CE-CE1 3.8Å; M29-Y73 HydrophobicContact CE-CE2 3.35Å; M29-Y73 HydrophobicContact CE-CG 3.96Å; M29-Y73 VanDerWaalsContact CE-CZ 3.44Å; L63-Y73 WeakPolarHBondContact CD2-O 3.33Å; W68-Y73 HydrophobicContact CB-CD2 4.39Å; W68-Y73 AromaticContact CE3-CD2 3.89Å; W68-Y73 HydrophobicContact CE3-CD2 3.89Å; W68-Y73 HydrophobicContact CE3-CE2 4.01Å; W68-Y73 HydrophobicContact CE3-CG 4.45Å; W68-Y73 HydrophobicContact CZ3-CE2 4.37Å; W68-Y73 WeakPolarHBondContact O-CB 3.4Å; W68-Y73 PolarHBondContact O-N 2.89Å; R69-Y73 WeakPolarHBondContact CA-O 3.18Å; L71-Y73 HydrophobicContact CB-CD2 4.29Å; Y73-L282 HydrophobicContact CE1-CB 3.99Å; Y73-L282 WeakPolarHBondContact CE1-O 3.32Å; Y73-M284 HydrophobicContact CD1-CE 3.57Å; Y73-M284 HydrophobicContact CD1-CG 4.26Å; Y73-M284 HydrophobicContact CD1-SD 4.1Å; Y73-M284 HydrophobicContact CE1-CE 3.98Å; Y73-M284 HydrophobicContact CE1-CG 3.86Å; Y73-M284 HydrophobicContact CE1-SD 3.86Å; Y73-M284 HydrophobicContact CG-CE 3.9Å; Y73-L299 PolarHBondContact OH-O 3.04Å; Y73-I305 HydrophobicContact CE2-CD1 3.9Å
74V98.9Very high98.7Very high33 Ų3326.9 Ų26.920%0.215%0.147CC..  trans-119.6-17.9-170.6-64.70000114.1M29 R69 G72 L116 K117M29-V74 PolarHBondContact O-N 2.86Å; R69-V74 HydrophobicContact CG-CG1 4.27Å; G72-V74 PolarHBondContact O-N 3.39Å; V74-L116 HydrophobicContact CB-CD2 4.5Å; V74-L116 CarbonylContact O-C 3.59Å; V74-L116 WeakPolarHBondContact O-CA 3.48Å; V74-L116 WeakPolarHBondContact O-CB 3.38Å; V74-K117 HydrophobicContact CG2-CD 4.25Å; V74-K117 PolarHBondContact O-N 3.33Å
75Y98.9Very high98.7Very high17 Ų1731.2 Ų31.27%0.06716%0.163CC..EExtended strand (participates in β ladder)trans-87.1135.3178.7-70.5-87000111.3M24 P28 M29 G30 W31 K117 M154 F283M24-Y75 HydrophobicContact CE-CE1 4.41Å; P28-Y75 HydrophobicContact CB-CD2 4.15Å; P28-Y75 HydrophobicContact CB-CE2 3.91Å; M29-Y75 WeakPolarHBondContact O-CD2 3.18Å; M29-Y75 PolarHBondContact O-N 2.77Å; G30-Y75 CarbonylContact C-O 3.59Å; G30-Y75 WeakPolarHBondContact CA-O 3.39Å; W31-Y75 PolarHBondContact N-O 2.81Å; Y75-K117 CarbonylContact C-O 3.49Å; Y75-K117 WeakPolarHBondContact CA-O 3.4Å; Y75-K117 HydrophobicContact CD1-CB 3.7Å; Y75-K117 HydrophobicContact CD1-CD 4.24Å; Y75-K117 HydrophobicContact CE1-CB 3.89Å; Y75-K117 HydrophobicContact CE1-CD 3.66Å; Y75-K117 HydrophobicContact CE1-CG 4.43Å; Y75-K117 HydrophobicContact CE2-CD 4.19Å; Y75-K117 HydrophobicContact CG-CB 4.27Å; Y75-M154 HydrophobicContact CD1-CB 4.02Å; Y75-M154 HydrophobicContact CD1-SD 4.01Å; Y75-M154 HydrophobicContact CE1-CB 3.94Å; Y75-M154 HydrophobicContact CE1-SD 4.23Å; Y75-M154 HydrophobicContact CG-SD 4.48Å; Y75-F283 HydrophobicContact CD2-CE1 4.43Å; Y75-F283 HydrophobicContact CG-CE1 4.32Å
76V98.9Very high98.6Very high0 Ų031.1 Ų31.10%017%0.166CC..EExtended strand (participates in β ladder)trans-118.5103.3168.6-178.70000106.5W31 F56 A60 L63 I111 L116 K117 G119W31-V76 HydrophobicContact CE3-CG1 4.3Å; F56-V76 HydrophobicContact CD1-CG1 4.16Å; A60-V76 HydrophobicContact CB-CG2 4.32Å; L63-V76 HydrophobicContact CD1-CG2 4.3Å; L63-V76 HydrophobicContact CD2-CG2 4.29Å; V76-I111 HydrophobicContact CB-CD1 4.22Å; V76-I111 HydrophobicContact CG1-CD1 4.19Å; V76-I111 HydrophobicContact CG2-CG2 4.48Å; V76-L116 HydrophobicContact CG2-CB 4.44Å; V76-L116 HydrophobicContact CG2-CD1 3.97Å; V76-K117 PolarHBondContact N-O 2.83Å; V76-G119 PolarHBondContact O-N 3.14Å
77N98.9Very high98.6Very high5 Ų531.3 Ų31.33%0.02716%0.164CC..EExtended strand (participates in β ladder)trans-105.4118.7-167.9-64.2-14.6000111W31 L32 A33 G119 F283W31-N77 WeakPolarHBondContact O-CB 3.42Å; W31-N77 PolarHBondContact O-N 2.85Å; L32-N77 HydrophobicContact CB-CB 4.07Å; L32-N77 HydrophobicContact CD1-CB 4.04Å; L32-N77 HydrophobicContact CG-CB 3.94Å; A33-N77 PolarHBondContact N-O 2.87Å; N77-G119 VanDerWaalsContact OD1-CA 3.22Å; N77-G119 WeakPolarHBondContact OD1-CA 3.04Å; N77-G119 PolarHBondContact OD1-N 2.87Å; N77-F283 WeakPolarHBondContact ND2-CE1 3.08Å
78I98.9Very high98.5Very high1 Ų132 Ų321%0.00516%0.162CC..  trans-72.6130.1165.6-56.9172.7000107.9F56 W82 F100 I104 L107 L118 G119 I120 Y121F56-I78 HydrophobicContact CD1-CG1 3.84Å; F56-I78 HydrophobicContact CD2-CG1 4.22Å; F56-I78 HydrophobicContact CE1-CB 4.02Å; F56-I78 HydrophobicContact CE1-CG1 3.59Å; F56-I78 HydrophobicContact CE1-CG2 4.43Å; F56-I78 HydrophobicContact CE2-CG1 4.03Å; F56-I78 HydrophobicContact CE2-CG2 4.33Å; F56-I78 HydrophobicContact CG-CG1 4.17Å; F56-I78 HydrophobicContact CZ-CB 3.99Å; F56-I78 HydrophobicContact CZ-CG1 3.71Å; F56-I78 HydrophobicContact CZ-CG2 3.89Å; I78-W82 HydrophobicContact CG2-CB 3.4Å; I78-W82 HydrophobicContact CG2-CG 3.67Å; I78-F100 HydrophobicContact CD1-CE1 4.48Å; I78-I104 HydrophobicContact CD1-CD1 4.09Å; I78-L107 HydrophobicContact CD1-CD2 3.91Å; I78-L118 HydrophobicContact CD1-CD1 3.8Å; I78-L118 HydrophobicContact CG1-CD1 3.99Å; I78-G119 PolarHBondContact N-O 3.2Å; I78-I120 HydrophobicContact CB-CG1 4.43Å; I78-I120 CarbonylContact O-C 3.44Å; I78-Y121 WeakPolarHBondContact O-CB 3.2Å; I78-Y121 PolarHBondContact O-N 3.05Å
79D98.9Very high98.5Very high4 Ų438 Ų382%0.02120%0.203CC..  trans-100.6-157.7171.3-147.5-92000111.1L32 W34 W82 Y121 K156L32-D79 HydrophobicContact CD2-CB 4.05Å; L32-D79 WeakPolarHBondContact CD2-OD2 3.44Å; W34-D79 HydrophobicContact CB-CB 3.84Å; W34-D79 HydrophobicContact CE3-CB 4.28Å; D79-W82 VanDerWaalsContact O-CD1 3.28Å; D79-Y121 VanDerWaalsContact C-CB 3.42Å; D79-Y121 WeakPolarHBondContact O-CB 3.35Å; D79-K156 VanDerWaalsContact CG-NZ 3.34Å; D79-K156 IonicContact OD1-NZ 3.88Å; D79-K156 PolarHBondContact OD1-NZ 3.13Å; D79-K156 VanDerWaalsContact OD2-CD 3.26Å; D79-K156 WeakPolarHBondContact OD2-CD 3.38Å; D79-K156 WeakPolarHBondContact OD2-CE 3.39Å; D79-K156 IonicContact OD2-NZ 3.7Å; D79-K156 PolarHBondContact OD2-NZ 2.87Å
80D98.8Very high98.4Very high2 Ų239.7 Ų39.71%0.01122%0.219CC..THydrogen-bonded Turntrans-57.6170.2-179.1-157-1.9000113.4W34 W82 Y121 T128 G130W34-D80 HydrophobicContact CE3-CB 4.32Å; W34-D80 HydrophobicContact CH2-CB 4.35Å; W34-D80 HydrophobicContact CZ3-CB 3.78Å; D80-W82 VanDerWaalsContact C-N 3.29Å; D80-W82 PolarHBondContact O-N 3.05Å; D80-Y121 HydrophobicContact CB-CD1 4.05Å; D80-Y121 HydrophobicContact CB-CE1 3.75Å; D80-Y121 HydrophobicContact CB-CE2 4.31Å; D80-Y121 HydrophobicContact CB-CG 4.48Å; D80-T128 VanDerWaalsContact CG-OG1 3.26Å; D80-T128 WeakPolarHBondContact OD1-CB 3.2Å; D80-T128 PolarHBondContact OD1-OG1 3Å; D80-T128 WeakPolarHBondContact OD2-CB 3.45Å; D80-T128 PolarHBondContact OD2-OG1 2.88Å; D80-T128 VanDerWaalsContact OD2-OG1 3.04Å; D80-G130 VanDerWaalsContact OD2-CA 3.3Å; D80-G130 WeakPolarHBondContact OD2-CA 3.41Å; D80-G130 PolarHBondContact OD2-N 3.16Å
81C98.8Very high98.4Very high0 Ų035 Ų350%020%0.2CC..THydrogen-bonded Turntrans71.510.8174.4-47.80000116.2C39 I41 R99 Y132C39-C81 HydrophobicContact CB-CB 4.03Å; C39-C81 WeakPolarHBondContact CB-SG 3.43Å; C39-C81 WeakPolarHBondContact SG-CB 3.37Å; C39-C81 CovalentContact SG-SG 2.02Å; C39-C81 PolarHBondContact SG-SG 3.43Å; I41-C81 HydrophobicContact CG2-CB 4.24Å; C81-R99 PolarHBondContact O-NH1 3.28Å; C81-R99 PolarHBondContact O-NH2 3.44Å; C81-Y132 VanDerWaalsContact CA-CE2 3.48Å; C81-Y132 HydrophobicContact CB-CD2 4.28Å; C81-Y132 HydrophobicContact CB-CE2 3.59Å; C81-Y132 VanDerWaalsContact SG-CE2 3.52Å
82W98.9Very high98.3Very high6 Ų636 Ų362%0.02320%0.201CC..  trans-78.5-32.5175.172.5-90.3000114.2I78 D79 D80 L93 A95 D96 F100 I104 I120 Y121 F147 W150I78-W82 HydrophobicContact CG2-CB 3.4Å; I78-W82 HydrophobicContact CG2-CG 3.67Å; D79-W82 VanDerWaalsContact O-CD1 3.28Å; D80-W82 VanDerWaalsContact C-N 3.29Å; D80-W82 PolarHBondContact O-N 3.05Å; W82-L93 HydrophobicContact CH2-CB 3.99Å; W82-L93 HydrophobicContact CZ2-CB 4.45Å; W82-L93 HydrophobicContact CZ2-CD1 4.25Å; W82-A95 HydrophobicContact CE3-CB 3.82Å; W82-A95 HydrophobicContact CZ3-CB 3.84Å; W82-D96 PolarHBondContact O-N 2.94Å; W82-D96 VanDerWaalsContact O-N 3.08Å; W82-F100 HydrophobicContact CB-CE2 4.06Å; W82-F100 HydrophobicContact CB-CZ 3.97Å; W82-F100 WeakPolarHBondContact O-CE2 3.36Å; W82-I104 HydrophobicContact CE3-CD1 3.93Å; W82-I104 HydrophobicContact CE3-CG1 4.14Å; W82-I104 HydrophobicContact CZ3-CD1 4.19Å; W82-I104 HydrophobicContact CZ3-CG1 3.86Å; W82-I120 HydrophobicContact CD2-CD1 4.29Å; W82-I120 HydrophobicContact CD2-CG1 4.43Å; W82-I120 HydrophobicContact CE3-CD1 4.44Å; W82-I120 HydrophobicContact CH2-CD1 3.99Å; W82-I120 HydrophobicContact CZ2-CD1 3.76Å; W82-I120 HydrophobicContact CZ2-CG1 4.21Å; W82-I120 HydrophobicContact CZ3-CD1 4.29Å; W82-Y121 PolarHBondContact NE1-O 3.39Å; W82-F147 HydrophobicContact CZ2-CE1 4.35Å; W82-W150 AromaticContact CH2-CH2 3.68Å; W82-W150 HydrophobicContact CH2-CH2 3.68Å; W82-W150 AromaticContact CH2-CZ3 3.44Å; W82-W150 HydrophobicContact CH2-CZ3 3.44Å; W82-W150 VanDerWaalsContact CH2-CZ3 3.44Å; W82-W150 HydrophobicContact CZ2-CZ3 4.39Å; W82-W150 AromaticContact CZ3-CH2 3.93Å; W82-W150 HydrophobicContact CZ3-CH2 3.93Å; W82-W150 AromaticContact CZ3-CZ3 3.79Å; W82-W150 HydrophobicContact CZ3-CZ3 3.79Å
83A98.6Very high98.3Very high5 Ų534.8 Ų34.84%0.04119%0.188CC..BIsolated β-bridgetrans-74.7157.4-169.900000112.5Q94 Y132A83-Q94 CarbonylContact C-O 3.58Å; A83-Q94 WeakPolarHBondContact CA-O 3.46Å; A83-Y132 HydrophobicContact CB-CD1 4.39Å; A83-Y132 WeakPolarHBondContact O-CD1 3.26Å; A83-Y132 WeakPolarHBondContact O-CE1 3.37Å
84S98.4Very high98.3Very high23 Ų2338.6 Ų38.616%0.16121%0.206CC..  trans-61.1155.7158.2178.80000110D86 Q94 P133S84-D86 WeakPolarHBondContact CB-O 3.36Å; S84-D86 PolarHBondContact O-N 2.86Å; S84-D86 PolarHBondContact OG-N 3.22Å; S84-D86 PolarHBondContact OG-O 2.76Å; S84-Q94 PolarHBondContact N-O 2.99Å; S84-P133 VanDerWaalsContact O-CD 3.24Å; S84-P133 WeakPolarHBondContact O-CD 3.37Å
85K97.6Very high98.3Very high107 Ų10737.8 Ų37.847%0.46520%0.202SC..SBendtrans-69.6-17.9172-69.6-60.6-172.3-172.70113G131 Y132 P133K85-G131 PolarHBondContact NZ-O 2.8Å; K85-Y132 HydrophobicContact CD-CD1 3.75Å; K85-Y132 HydrophobicContact CD-CE1 3.86Å; K85-Y132 HydrophobicContact CD-CG 4.33Å; K85-Y132 HydrophobicContact CG-CE1 4.5Å; K85-Y132 VanDerWaalsContact NZ-CE2 3.29Å; K85-P133 WeakPolarHBondContact O-CG 3.48Å
86D96.1Very high98.3Very high118 Ų11838.5 Ų38.563%0.63121%0.207SC*.SBendtrans-118.7140.1179.9-59.6-58.3000111.7S84S84-D86 WeakPolarHBondContact CB-O 3.36Å; S84-D86 PolarHBondContact O-N 2.86Å; S84-D86 PolarHBondContact OG-N 3.22Å; S84-D86 PolarHBondContact OG-O 2.76Å
87R98.5Very high98.2Very high50 Ų5042.8 Ų42.819%0.18924%0.235CC..  trans-72.9160.1164.6-72171.2172.4-84.6-3.8110.1G91 R92 L93 P133 G134 D143R87-G91 WeakPolarHBondContact CD-O 3.43Å; R87-G91 PolarHBondContact NH1-O 3.27Å; R87-R92 CarbonylContact C-O 3.47Å; R87-R92 VanDerWaalsContact CA-O 3.26Å; R87-R92 WeakPolarHBondContact CA-O 3.49Å; R87-R92 WeakPolarHBondContact CB-O 3.46Å; R87-L93 HydrophobicContact CG-CD2 4.35Å; R87-P133 HydrophobicContact CG-CB 4.27Å; R87-G134 PolarHBondContact NH2-O 3.28Å; R87-D143 IonicContact CZ-OD1 3.12Å; R87-D143 IonicContact CZ-OD2 2.82Å; R87-D143 IonicContact NH1-OD1 3.78Å; R87-D143 PolarHBondContact NH1-OD1 3.49Å; R87-D143 IonicContact NH1-OD2 2.74Å; R87-D143 PolarHBondContact NH1-OD2 3.04Å; R87-D143 IonicContact NH2-OD1 3.42Å; R87-D143 IonicContact NH2-OD2 3.37Å; R87-D143 PolarHBondContact NH2-OD2 3.24Å
88D97.8Very high98.2Very high39 Ų3951.4 Ų51.421%0.20927%0.272CS..  trans-70176.8175.676.75.6000112.2N90 G91 R92 Q94D88-N90 PolarHBondContact O-N 3.14Å; D88-N90 VanDerWaalsContact O-N 3.14Å; D88-N90 VanDerWaalsContact OD1-C 3.23Å; D88-N90 VanDerWaalsContact OD1-CA 3.25Å; D88-N90 WeakPolarHBondContact OD1-CA 3.34Å; D88-N90 WeakPolarHBondContact OD1-CB 3.45Å; D88-N90 PolarHBondContact OD1-N 3.35Å; D88-G91 PolarHBondContact O-N 3.06Å; D88-G91 PolarHBondContact OD1-N 3.24Å; D88-R92 PolarHBondContact N-O 3.23Å; D88-R92 PolarHBondContact OD1-N 3.16Å; D88-Q94 VanDerWaalsContact CA-NE2 3.28Å; D88-Q94 VanDerWaalsContact CB-CD 3.4Å; D88-Q94 HydrophobicContact CB-CG 3.87Å; D88-Q94 VanDerWaalsContact N-NE2 3.15Å
89S97.4Very high98.2Very high124 Ų12452 Ų5287%0.86727%0.274SS*.THydrogen-bonded Turntrans-63.1-17177.854.50000114.2
90N96.9Very high98.2Very high122 Ų12252 Ų5265%0.65227%0.274SS*.THydrogen-bonded Turntrans-94.71.1174-56.9-53.6000112.1D88 R92 I142D88-N90 PolarHBondContact O-N 3.14Å; D88-N90 VanDerWaalsContact O-N 3.14Å; D88-N90 VanDerWaalsContact OD1-C 3.23Å; D88-N90 VanDerWaalsContact OD1-CA 3.25Å; D88-N90 WeakPolarHBondContact OD1-CA 3.34Å; D88-N90 WeakPolarHBondContact OD1-CB 3.45Å; D88-N90 PolarHBondContact OD1-N 3.35Å; N90-R92 HydrophobicContact CB-CG 4.46Å; N90-I142 VanDerWaalsContact O-CD1 3.27Å; N90-I142 WeakPolarHBondContact O-CD1 3.33Å
91G97.8Very high98.2Very high13 Ų1356.3 Ų56.313%0.13430%0.302CS..SBendtrans78.913.4-17800000115R87 D88R87-G91 WeakPolarHBondContact CD-O 3.43Å; R87-G91 PolarHBondContact NH1-O 3.27Å; D88-G91 PolarHBondContact O-N 3.06Å; D88-G91 PolarHBondContact OD1-N 3.24Å
92R98.4Very high98.2Very high55 Ų5558.6 Ų58.621%0.20832%0.318CS..  trans-80.3148.3176.1-59.2177.766.4106.7-15.6111R87 D88 N90 I142 T146 D149R87-R92 CarbonylContact C-O 3.47Å; R87-R92 VanDerWaalsContact CA-O 3.26Å; R87-R92 WeakPolarHBondContact CA-O 3.49Å; R87-R92 WeakPolarHBondContact CB-O 3.46Å; D88-R92 PolarHBondContact N-O 3.23Å; D88-R92 PolarHBondContact OD1-N 3.16Å; N90-R92 HydrophobicContact CB-CG 4.46Å; R92-I142 HydrophobicContact CG-CD1 3.61Å; R92-I142 HydrophobicContact CG-CG1 3.81Å; R92-T146 PolarHBondContact NE-OG1 3.1Å; R92-T146 VanDerWaalsContact NH2-CA 3.33Å; R92-T146 PolarHBondContact NH2-OG1 2.83Å; R92-D149 IonicContact CZ-OD2 3.45Å; R92-D149 IonicContact NH1-OD2 3.84Å; R92-D149 PolarHBondContact NH1-OD2 3.45Å; R92-D149 IonicContact NH2-OD2 3.03Å; R92-D149 PolarHBondContact NH2-OD2 2.98Å
93L98.7Very high98.2Very high6 Ų659.3 Ų59.33%0.03133%0.328CS..  trans-60.5147.6167.1-69.1169.7000110.5W82 R87 P133 D143 F147 W150W82-L93 HydrophobicContact CH2-CB 3.99Å; W82-L93 HydrophobicContact CZ2-CB 4.45Å; W82-L93 HydrophobicContact CZ2-CD1 4.25Å; R87-L93 HydrophobicContact CG-CD2 4.35Å; L93-P133 HydrophobicContact CD2-CB 4.05Å; L93-D143 HydrophobicContact CD1-CB 4.3Å; L93-F147 HydrophobicContact CD1-CE1 3.94Å; L93-F147 HydrophobicContact CD1-CZ 3.68Å; L93-W150 HydrophobicContact CB-CH2 4.31Å; L93-W150 VanDerWaalsContact O-CH2 3.3Å; L93-W150 WeakPolarHBondContact O-CH2 3.39Å; L93-W150 WeakPolarHBondContact O-CZ2 3.46Å
94Q98.3Very high98.2Very high81 Ų8159.2 Ų59.238%0.37933%0.327SS..  trans-134.6145.1174.7-60.9179.798.600108.6A83 S84 D88A83-Q94 CarbonylContact C-O 3.58Å; A83-Q94 WeakPolarHBondContact CA-O 3.46Å; S84-Q94 PolarHBondContact N-O 2.99Å; D88-Q94 VanDerWaalsContact CA-NE2 3.28Å; D88-Q94 VanDerWaalsContact CB-CD 3.4Å; D88-Q94 HydrophobicContact CB-CG 3.87Å; D88-Q94 VanDerWaalsContact N-NE2 3.15Å
95A98.7Very high98.2Very high15 Ų1561.2 Ų61.212%0.12434%0.339CS..BIsolated β-bridgetrans-70.7155.1169.400000110.4W82 P97 F100 I104W82-A95 HydrophobicContact CE3-CB 3.82Å; W82-A95 HydrophobicContact CZ3-CB 3.84Å; A95-P97 WeakPolarHBondContact O-CD 3.48Å; A95-F100 HydrophobicContact CB-CB 3.64Å; A95-F100 HydrophobicContact CB-CD2 4.19Å; A95-F100 HydrophobicContact CB-CG 3.98Å; A95-I104 HydrophobicContact CB-CD1 3.82Å; A95-I104 HydrophobicContact CB-CG1 3.89Å
96D98.8Very high98.2Very high33 Ų3359.9 Ų59.918%0.17634%0.337CS..  trans-59.8119.2172.4-178.6-50.6000110W82 K98 R99 F100W82-D96 PolarHBondContact O-N 2.94Å; W82-D96 VanDerWaalsContact O-N 3.08Å; D96-K98 PolarHBondContact O-N 3.2Å; D96-K98 WeakPolarHBondContact OD1-CA 3.44Å; D96-K98 WeakPolarHBondContact OD1-CB 3.36Å; D96-K98 PolarHBondContact OD1-N 2.87Å; D96-R99 HydrophobicContact CB-CB 4.29Å; D96-R99 VanDerWaalsContact CG-NE 3.26Å; D96-R99 PolarHBondContact O-N 3.37Å; D96-R99 PolarHBondContact OD1-N 3.34Å; D96-R99 IonicContact OD1-NE 2.95Å; D96-R99 IonicContact OD2-CZ 3.39Å; D96-R99 IonicContact OD2-NE 2.69Å; D96-R99 PolarHBondContact OD2-NE 3.01Å; D96-R99 IonicContact OD2-NH2 3.02Å; D96-R99 PolarHBondContact OD2-NH2 2.95Å; D96-F100 HydrophobicContact CB-CD2 4.44Å; D96-F100 WeakPolarHBondContact O-CA 3.3Å; D96-F100 PolarHBondContact O-N 3.14Å
97P98Very high98.4Very high90 Ų9054.2 Ų54.258%0.58431%0.307SS*.THydrogen-bonded Turntrans-70.7-15.8-171.128.6-36.1000113.5A95 P101A95-P97 WeakPolarHBondContact O-CD 3.48Å; P97-P101 WeakPolarHBondContact O-CA 3.49Å
98K98.3Very high98.4Very high185 Ų18551.9 Ų51.980%0.80430%0.298SS*.THydrogen-bonded Turntrans-85-37.1175.8-64.6-179.5179.5176.10111.4D96D96-K98 PolarHBondContact O-N 3.2Å; D96-K98 WeakPolarHBondContact OD1-CA 3.44Å; D96-K98 WeakPolarHBondContact OD1-CB 3.36Å; D96-K98 PolarHBondContact OD1-N 2.87Å
99R98.7Very high98.4Very high13 Ų1352.8 Ų52.85%0.04931%0.307CS..THydrogen-bonded Turntrans-93.1-25.1-175.4-61.6-178.6-69.2117.4-6.5113I51 S52 E53 C81 D96I51-R99 WeakPolarHBondContact O-CD 3.35Å; I51-R99 PolarHBondContact O-NH1 2.91Å; S52-R99 CarbonylContact C-O 3.57Å; S52-R99 WeakPolarHBondContact CA-O 3.17Å; S52-R99 WeakPolarHBondContact CB-O 3.28Å; E53-R99 PolarHBondContact N-O 2.92Å; C81-R99 PolarHBondContact O-NH1 3.28Å; C81-R99 PolarHBondContact O-NH2 3.44Å; D96-R99 HydrophobicContact CB-CB 4.29Å; D96-R99 VanDerWaalsContact CG-NE 3.26Å; D96-R99 PolarHBondContact O-N 3.37Å; D96-R99 PolarHBondContact OD1-N 3.34Å; D96-R99 IonicContact OD1-NE 2.95Å; D96-R99 IonicContact OD2-CZ 3.39Å; D96-R99 IonicContact OD2-NE 2.69Å; D96-R99 PolarHBondContact OD2-NE 3.01Å; D96-R99 IonicContact OD2-NH2 3.02Å; D96-R99 PolarHBondContact OD2-NH2 2.95Å
100F98.8Very high98.5Very high4 Ų449.1 Ų49.12%0.01828%0.275CS..  trans-127.558.5175.5-59-97.3000110.7I51 E53 F56 I78 W82 A95 D96 S102 G103 I104 L107I51-F100 HydrophobicContact CG2-CE2 4.47Å; I51-F100 HydrophobicContact CG2-CZ 4.17Å; E53-F100 HydrophobicContact CB-CD1 3.79Å; E53-F100 HydrophobicContact CB-CE1 4.42Å; E53-F100 HydrophobicContact CB-CG 4.42Å; E53-F100 VanDerWaalsContact OE2-C 3.24Å; E53-F100 WeakPolarHBondContact OE2-CA 3.41Å; F56-F100 AromaticContact CD2-CE1 3.78Å; F56-F100 HydrophobicContact CD2-CE1 3.78Å; F56-F100 HydrophobicContact CD2-CZ 4.14Å; F56-F100 AromaticContact CE2-CE1 3.86Å; F56-F100 HydrophobicContact CE2-CE1 3.86Å; F56-F100 AromaticContact CE2-CZ 3.75Å; F56-F100 HydrophobicContact CE2-CZ 3.75Å; I78-F100 HydrophobicContact CD1-CE1 4.48Å; W82-F100 HydrophobicContact CB-CE2 4.06Å; W82-F100 HydrophobicContact CB-CZ 3.97Å; W82-F100 WeakPolarHBondContact O-CE2 3.36Å; A95-F100 HydrophobicContact CB-CB 3.64Å; A95-F100 HydrophobicContact CB-CD2 4.19Å; A95-F100 HydrophobicContact CB-CG 3.98Å; D96-F100 HydrophobicContact CB-CD2 4.44Å; D96-F100 WeakPolarHBondContact O-CA 3.3Å; D96-F100 PolarHBondContact O-N 3.14Å; F100-S102 PolarHBondContact O-N 3.14Å; F100-S102 VanDerWaalsContact O-N 3.13Å; F100-G103 PolarHBondContact O-N 3.48Å; F100-I104 HydrophobicContact CD1-CD1 4.07Å; F100-I104 HydrophobicContact CE1-CD1 4.43Å; F100-L107 HydrophobicContact CD1-CD2 4.24Å; F100-L107 HydrophobicContact CE1-CD2 4.15Å
101P98.5Very high98.6Very high93 Ų9343.3 Ų43.360%0.60424%0.244SC*.THydrogen-bonded Turntrans-58.8-25.6-175.425.8-37.4000114.2E53 P97E53-P101 WeakPolarHBondContact OE2-CD 3.35Å; E53-P101 VanDerWaalsContact OE2-N 3.15Å; P97-P101 WeakPolarHBondContact O-CA 3.49Å
102S98.5Very high98.7Very high48 Ų4845.4 Ų45.434%0.33625%0.25SS..THydrogen-bonded Turntrans-85-12.3176.368.30000113.9E53 R57 F100 N106E53-S102 PolarHBondContact OE1-OG 2.79Å; E53-S102 VanDerWaalsContact OE1-OG 3.11Å; E53-S102 WeakPolarHBondContact OE2-CB 3.43Å; E53-S102 PolarHBondContact OE2-N 2.69Å; E53-S102 PolarHBondContact OE2-OG 2.81Å; R57-S102 PolarHBondContact NH2-OG 3.25Å; F100-S102 PolarHBondContact O-N 3.14Å; F100-S102 VanDerWaalsContact O-N 3.13Å; S102-N106 WeakPolarHBondContact O-CB 3.49Å
103G98.5Very high98.7Very high22 Ų2248.9 Ų48.923%0.22727%0.273CS..  trans76.2160-177.200000114.5F100 P105 N106 L107F100-G103 PolarHBondContact O-N 3.48Å; G103-P105 VanDerWaalsContact C-CD 3.48Å; G103-N106 PolarHBondContact O-N 2.98Å; G103-L107 PolarHBondContact O-N 2.86Å
104I98.9Very high98.7Very high2 Ų251.4 Ų51.41%0.0128%0.282CS..Hα-helixtrans-57.4-39.9-179.3-54.6-54.1000113.5I78 W82 A95 F100 N106 L107 A108 L118 I120 W150I78-I104 HydrophobicContact CD1-CD1 4.09Å; W82-I104 HydrophobicContact CE3-CD1 3.93Å; W82-I104 HydrophobicContact CE3-CG1 4.14Å; W82-I104 HydrophobicContact CZ3-CD1 4.19Å; W82-I104 HydrophobicContact CZ3-CG1 3.86Å; A95-I104 HydrophobicContact CB-CD1 3.82Å; A95-I104 HydrophobicContact CB-CG1 3.89Å; F100-I104 HydrophobicContact CD1-CD1 4.07Å; F100-I104 HydrophobicContact CE1-CD1 4.43Å; I104-N106 VanDerWaalsContact C-N 3.27Å; I104-N106 PolarHBondContact O-N 3.29Å; I104-L107 PolarHBondContact O-N 3.4Å; I104-A108 WeakPolarHBondContact O-CB 3.37Å; I104-A108 PolarHBondContact O-N 3.22Å; I104-L118 HydrophobicContact CG2-CD2 3.84Å; I104-I120 HydrophobicContact CG1-CD1 4.4Å; I104-I120 HydrophobicContact CG2-CD1 4.17Å; I104-W150 HydrophobicContact CB-CD2 3.93Å; I104-W150 HydrophobicContact CB-CE3 3.71Å; I104-W150 HydrophobicContact CB-CG 4.36Å; I104-W150 HydrophobicContact CB-CZ3 4.16Å; I104-W150 HydrophobicContact CG1-CE3 3.95Å; I104-W150 HydrophobicContact CG1-CH2 4.37Å; I104-W150 HydrophobicContact CG1-CZ3 3.87Å; I104-W150 HydrophobicContact CG2-CB 4.15Å; I104-W150 HydrophobicContact CG2-CD2 4.16Å; I104-W150 HydrophobicContact CG2-CE3 3.71Å; I104-W150 HydrophobicContact CG2-CG 4.4Å; I104-W150 HydrophobicContact CG2-CZ3 4.43Å
105P98.8Very high98.7Very high65 Ų6550 Ų5042%0.42229%0.289SS..Hα-helixtrans-57.4-37.6177.4-2836.2000114.1G103 S109 W150G103-P105 VanDerWaalsContact C-CD 3.48Å; P105-S109 PolarHBondContact O-N 3.06Å; P105-S109 VanDerWaalsContact O-N 3.09Å; P105-W150 HydrophobicContact CG-CB 4.31Å; P105-W150 HydrophobicContact CG-CG 3.89Å
106N98.8Very high98.7Very high79 Ų7949.5 Ų49.542%0.42228%0.284SS..Hα-helixtrans-71.6-41.8178.6-170-84.9000111.1R57 S102 G103 I104 S109 Y110R57-N106 PolarHBondContact NH2-OD1 3.5Å; S102-N106 WeakPolarHBondContact O-CB 3.49Å; G103-N106 PolarHBondContact O-N 2.98Å; I104-N106 VanDerWaalsContact C-N 3.27Å; I104-N106 PolarHBondContact O-N 3.29Å; N106-S109 PolarHBondContact O-N 3.49Å; N106-Y110 PolarHBondContact O-N 2.77Å
107L98.9Very high98.7Very high0 Ų051.6 Ų51.60%029%0.292CS..Hα-helixtrans-61.8-42.8175-178.759.1000111.8F56 R57 I78 F100 G103 I104 S109 Y110 I111F56-L107 HydrophobicContact CB-CD1 4.04Å; F56-L107 HydrophobicContact CB-CD2 4.01Å; F56-L107 HydrophobicContact CD2-CD2 4.36Å; F56-L107 HydrophobicContact CG-CD2 4.36Å; R57-L107 HydrophobicContact CG-CD1 3.95Å; I78-L107 HydrophobicContact CD1-CD2 3.91Å; F100-L107 HydrophobicContact CD1-CD2 4.24Å; F100-L107 HydrophobicContact CE1-CD2 4.15Å; G103-L107 PolarHBondContact O-N 2.86Å; I104-L107 PolarHBondContact O-N 3.4Å; L107-S109 PolarHBondContact O-N 3.25Å; L107-Y110 PolarHBondContact O-N 2.96Å; L107-I111 HydrophobicContact CD1-CD1 3.95Å; L107-I111 HydrophobicContact CD1-CG1 4.33Å; L107-I111 HydrophobicContact CG-CD1 3.91Å; L107-I111 WeakPolarHBondContact O-CG1 3.45Å; L107-I111 PolarHBondContact O-N 3.13Å
108A98.9Very high98.8Very high0 Ų047.3 Ų47.30%026%0.264CS..Hα-helixtrans-57.5-49.1174.400000111.1I104 Y110 I111 H112 L118 W150I104-A108 WeakPolarHBondContact O-CB 3.37Å; I104-A108 PolarHBondContact O-N 3.22Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 2.75Å; A108-I111 PolarHBondContact O-N 2.99Å; A108-H112 WeakPolarHBondContact O-CB 3.17Å; A108-H112 PolarHBondContact O-CD2 2.87Å; A108-H112 PolarHBondContact O-N 3.03Å; A108-H112 PolarHBondContact O-ND1 2.91Å; A108-L118 HydrophobicContact CB-CD2 3.6Å; A108-W150 VanDerWaalsContact CB-O 3.26Å; A108-W150 WeakPolarHBondContact CB-O 3.16Å
109S98.9Very high98.8Very high58 Ų5838.6 Ų38.641%0.40623%0.226SC..Hα-helixtrans-57.3-45.5176-165.90000112.1P105 N106 L107 I111 H112 D113P105-S109 PolarHBondContact O-N 3.06Å; P105-S109 VanDerWaalsContact O-N 3.09Å; N106-S109 PolarHBondContact O-N 3.49Å; L107-S109 PolarHBondContact O-N 3.25Å; S109-I111 VanDerWaalsContact C-N 3.32Å; S109-I111 PolarHBondContact O-N 3.47Å; S109-H112 PolarHBondContact O-N 3.25Å; S109-D113 WeakPolarHBondContact O-CB 3.33Å; S109-D113 PolarHBondContact O-N 3.29Å
110Y98.9Very high98.8Very high48 Ų4838 Ų3819%0.18822%0.224CC..Hα-helixtrans-61.5-39.5-179.9-177-92.9000113.2R57 A60 D61 N106 L107 A108 R114R57-Y110 HydrophobicContact CB-CD1 4.22Å; R57-Y110 HydrophobicContact CB-CE1 3.62Å; R57-Y110 HydrophobicContact CG-CD1 3.72Å; R57-Y110 HydrophobicContact CG-CE1 3.59Å; R57-Y110 HydrophobicContact CG-CG 4.28Å; A60-Y110 HydrophobicContact CB-CE1 4.49Å; D61-Y110 PolarHBondContact OD1-OH 2.82Å; D61-Y110 VanDerWaalsContact OD1-OH 3.13Å; D61-Y110 PolarHBondContact OD2-OH 3.29Å; N106-Y110 PolarHBondContact O-N 2.77Å; L107-Y110 PolarHBondContact O-N 2.96Å; A108-Y110 VanDerWaalsContact C-N 3.34Å; A108-Y110 PolarHBondContact O-N 2.75Å; Y110-R114 VanDerWaalsContact CD2-NH1 3.34Å; Y110-R114 VanDerWaalsContact CZ-NH1 3.32Å; Y110-R114 PolarHBondContact O-NH1 3.27Å; Y110-R114 VanDerWaalsContact O-NH1 3.09Å; Y110-R114 PolarHBondContact OH-NH2 3.25Å
111I98.9Very high98.8Very high0 Ų037.9 Ų37.90%022%0.224CC..Hα-helixtrans-70.5-42.4176.8-71168.6000110.1A60 V76 L107 A108 S109 D113 R114 L116 L118A60-I111 HydrophobicContact CB-CG1 3.98Å; V76-I111 HydrophobicContact CB-CD1 4.22Å; V76-I111 HydrophobicContact CG1-CD1 4.19Å; V76-I111 HydrophobicContact CG2-CG2 4.48Å; L107-I111 HydrophobicContact CD1-CD1 3.95Å; L107-I111 HydrophobicContact CD1-CG1 4.33Å; L107-I111 HydrophobicContact CG-CD1 3.91Å; L107-I111 WeakPolarHBondContact O-CG1 3.45Å; L107-I111 PolarHBondContact O-N 3.13Å; A108-I111 PolarHBondContact O-N 2.99Å; S109-I111 VanDerWaalsContact C-N 3.32Å; S109-I111 PolarHBondContact O-N 3.47Å; I111-D113 PolarHBondContact O-N 3.34Å; I111-R114 WeakPolarHBondContact O-CB 3.26Å; I111-R114 PolarHBondContact O-N 2.86Å; I111-R114 VanDerWaalsContact O-N 3.14Å; I111-L116 HydrophobicContact CG2-CB 3.57Å; I111-L116 WeakPolarHBondContact O-CB 3.31Å; I111-L116 PolarHBondContact O-N 2.85Å; I111-L116 VanDerWaalsContact O-N 3.15Å; I111-L118 HydrophobicContact CD1-CB 4.19Å; I111-L118 HydrophobicContact CD1-CD1 3.63Å; I111-L118 HydrophobicContact CD1-CG 4.39Å; I111-L118 HydrophobicContact CG2-CB 4.37Å
112H98.9Very high98.8Very high57 Ų5733.7 Ų33.726%0.26420%0.197SC..Hα-helixtrans-64.7-38.2177.3-65165.7000112.8A108 S109 R114 G115 L116 K151 D153A108-H112 WeakPolarHBondContact O-CB 3.17Å; A108-H112 PolarHBondContact O-CD2 2.87Å; A108-H112 PolarHBondContact O-N 3.03Å; A108-H112 PolarHBondContact O-ND1 2.91Å; S109-H112 PolarHBondContact O-N 3.25Å; H112-R114 PolarHBondContact O-N 2.94Å; H112-R114 VanDerWaalsContact O-N 3.08Å; H112-G115 PolarHBondContact O-N 2.87Å; H112-L116 PolarHBondContact CD2-O 3.24Å; H112-K151 PolarHBondContact CE1-O 2.95Å; H112-D153 IonicContact CD2-OD2 3.51Å; H112-D153 IonicContact CE1-OD2 3.22Å; H112-D153 IonicContact NE2-OD1 3.04Å; H112-D153 IonicContact NE2-OD2 3.2Å; H112-D153 PolarHBondContact NE2-OD2 2.92Å
113D98.8Very high98.9Very high128 Ų12831.4 Ų31.468%0.68418%0.181SC*.THydrogen-bonded Turntrans-61.5-17.8176-69.9-22.7000112.4S109 I111S109-D113 WeakPolarHBondContact O-CB 3.33Å; S109-D113 PolarHBondContact O-N 3.29Å; I111-D113 PolarHBondContact O-N 3.34Å
114R98.8Very high98.9Very high58 Ų5830.4 Ų30.422%0.21917%0.171CC..THydrogen-bonded Turntrans-966.7174-74.2161.9175.963.69.8113.8D61 A64 R69 Y110 I111 H112 L116D61-R114 IonicContact OD1-CZ 3.16Å; D61-R114 IonicContact OD1-NE 3.98Å; D61-R114 PolarHBondContact OD1-NE 2.94Å; D61-R114 IonicContact OD1-NH2 3.46Å; D61-R114 PolarHBondContact OD1-NH2 3.19Å; A64-R114 HydrophobicContact CB-CB 3.99Å; A64-R114 HydrophobicContact CB-CG 4.16Å; R69-R114 VanDerWaalsContact CD-O 3.24Å; R69-R114 WeakPolarHBondContact CD-O 3.2Å; R69-R114 PolarHBondContact NH1-O 2.92Å; Y110-R114 VanDerWaalsContact CD2-NH1 3.34Å; Y110-R114 VanDerWaalsContact CZ-NH1 3.32Å; Y110-R114 PolarHBondContact O-NH1 3.27Å; Y110-R114 VanDerWaalsContact O-NH1 3.09Å; Y110-R114 PolarHBondContact OH-NH2 3.25Å; I111-R114 WeakPolarHBondContact O-CB 3.26Å; I111-R114 PolarHBondContact O-N 2.86Å; I111-R114 VanDerWaalsContact O-N 3.14Å; H112-R114 PolarHBondContact O-N 2.94Å; H112-R114 VanDerWaalsContact O-N 3.08Å; R114-L116 HydrophobicContact CB-CD1 4.16Å; R114-L116 HydrophobicContact CB-CG 4.19Å; R114-L116 PolarHBondContact O-N 2.85Å
115G98.7Very high98.8Very high51 Ų5130.4 Ų30.453%0.52617%0.171SC..THydrogen-bonded Turntrans66.622.1-175.700000113.3H112H112-G115 PolarHBondContact O-N 2.87Å
116L98.9Very high98.8Very high5 Ų531.4 Ų31.43%0.02618%0.176CC..  trans-101.7174.9175.6-61.2174.4000110.2A60 L63 A64 R69 V74 V76 I111 H112 R114A60-L116 HydrophobicContact CB-CD1 3.93Å; A60-L116 VanDerWaalsContact O-CD1 3.28Å; A60-L116 WeakPolarHBondContact O-CD1 3.48Å; L63-L116 HydrophobicContact CB-CD1 3.83Å; L63-L116 HydrophobicContact CB-CD2 4.1Å; L63-L116 HydrophobicContact CD2-CD2 4.37Å; A64-L116 HydrophobicContact CB-CD1 4.46Å; R69-L116 HydrophobicContact CB-CD2 4.03Å; R69-L116 HydrophobicContact CG-CD2 3.82Å; V74-L116 HydrophobicContact CB-CD2 4.5Å; V74-L116 CarbonylContact O-C 3.59Å; V74-L116 WeakPolarHBondContact O-CA 3.48Å; V74-L116 WeakPolarHBondContact O-CB 3.38Å; V76-L116 HydrophobicContact CG2-CB 4.44Å; V76-L116 HydrophobicContact CG2-CD1 3.97Å; I111-L116 HydrophobicContact CG2-CB 3.57Å; I111-L116 WeakPolarHBondContact O-CB 3.31Å; I111-L116 PolarHBondContact O-N 2.85Å; I111-L116 VanDerWaalsContact O-N 3.15Å; H112-L116 PolarHBondContact CD2-O 3.24Å; R114-L116 HydrophobicContact CB-CD1 4.16Å; R114-L116 HydrophobicContact CB-CG 4.19Å; R114-L116 PolarHBondContact O-N 2.85Å
117K98.9Very high98.8Very high78 Ų7830.8 Ų30.834%0.33917%0.172SC..EExtended strand (participates in β ladder)trans-123.7135.9-177.7-67.4-178.4178.8-63.20109.7V74 Y75 V76 D153V74-K117 HydrophobicContact CG2-CD 4.25Å; V74-K117 PolarHBondContact O-N 3.33Å; Y75-K117 CarbonylContact C-O 3.49Å; Y75-K117 WeakPolarHBondContact CA-O 3.4Å; Y75-K117 HydrophobicContact CD1-CB 3.7Å; Y75-K117 HydrophobicContact CD1-CD 4.24Å; Y75-K117 HydrophobicContact CE1-CB 3.89Å; Y75-K117 HydrophobicContact CE1-CD 3.66Å; Y75-K117 HydrophobicContact CE1-CG 4.43Å; Y75-K117 HydrophobicContact CE2-CD 4.19Å; Y75-K117 HydrophobicContact CG-CB 4.27Å; V76-K117 PolarHBondContact N-O 2.83Å; K117-D153 VanDerWaalsContact CA-OD2 3.31Å; K117-D153 WeakPolarHBondContact CA-OD2 3.34Å; K117-D153 HydrophobicContact CB-CB 3.79Å; K117-D153 HydrophobicContact CG-CB 4.27Å
118L98.9Very high98.8Very high0 Ų031 Ų310%017%0.174CC..EExtended strand (participates in β ladder)trans-92.5121.717817466.1000110.3I78 I104 A108 I111 V152 D153 M154I78-L118 HydrophobicContact CD1-CD1 3.8Å; I78-L118 HydrophobicContact CG1-CD1 3.99Å; I104-L118 HydrophobicContact CG2-CD2 3.84Å; A108-L118 HydrophobicContact CB-CD2 3.6Å; I111-L118 HydrophobicContact CD1-CB 4.19Å; I111-L118 HydrophobicContact CD1-CD1 3.63Å; I111-L118 HydrophobicContact CD1-CG 4.39Å; I111-L118 HydrophobicContact CG2-CB 4.37Å; L118-V152 HydrophobicContact CD2-CG2 4.28Å; L118-D153 PolarHBondContact N-OD2 3.26Å; L118-D153 WeakPolarHBondContact O-CA 3.23Å; L118-D153 WeakPolarHBondContact O-CB 3.42Å; L118-D153 PolarHBondContact O-N 3.12Å; L118-M154 PolarHBondContact O-N 2.9Å
119G98.9Very high98.8Very high1 Ų133.1 Ų33.11%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-96.3151.9162.600000112.2V76 N77 I78 M154V76-G119 PolarHBondContact O-N 3.14Å; N77-G119 VanDerWaalsContact OD1-CA 3.22Å; N77-G119 WeakPolarHBondContact OD1-CA 3.04Å; N77-G119 PolarHBondContact OD1-N 2.87Å; I78-G119 PolarHBondContact N-O 3.2Å; G119-M154 CarbonylContact C-O 3.23Å; G119-M154 VanDerWaalsContact CA-O 3.23Å; G119-M154 WeakPolarHBondContact CA-O 3.4Å
120I98.9Very high98.7Very high2 Ų231.8 Ų31.81%0.0118%0.183CC..EExtended strand (participates in β ladder)trans-132.4166.8173.7-151.9165.5000111I78 W82 I104 F147 W150 V152 M154 L155 K156I78-I120 HydrophobicContact CB-CG1 4.43Å; I78-I120 CarbonylContact O-C 3.44Å; W82-I120 HydrophobicContact CD2-CD1 4.29Å; W82-I120 HydrophobicContact CD2-CG1 4.43Å; W82-I120 HydrophobicContact CE3-CD1 4.44Å; W82-I120 HydrophobicContact CH2-CD1 3.99Å; W82-I120 HydrophobicContact CZ2-CD1 3.76Å; W82-I120 HydrophobicContact CZ2-CG1 4.21Å; W82-I120 HydrophobicContact CZ3-CD1 4.29Å; I104-I120 HydrophobicContact CG1-CD1 4.4Å; I104-I120 HydrophobicContact CG2-CD1 4.17Å; I120-F147 HydrophobicContact CD1-CD1 4.18Å; I120-F147 HydrophobicContact CD1-CE1 4.12Å; I120-F147 HydrophobicContact CG2-CD1 3.69Å; I120-F147 HydrophobicContact CG2-CE1 3.84Å; I120-F147 HydrophobicContact CG2-CG 4.08Å; I120-F147 HydrophobicContact CG2-CZ 4.34Å; I120-W150 HydrophobicContact CD1-CE3 4.16Å; I120-W150 HydrophobicContact CD1-CZ3 4.03Å; I120-V152 HydrophobicContact CB-CG1 4.07Å; I120-V152 HydrophobicContact CB-CG2 4.18Å; I120-V152 HydrophobicContact CD1-CG2 4.35Å; I120-V152 HydrophobicContact CG2-CB 4.46Å; I120-V152 HydrophobicContact CG2-CG1 3.68Å; I120-V152 HydrophobicContact CG2-CG2 4.07Å; I120-M154 PolarHBondContact N-O 2.87Å; I120-L155 HydrophobicContact CG2-CD1 3.84Å; I120-L155 WeakPolarHBondContact O-CA 3.33Å; I120-K156 PolarHBondContact O-N 3.49Å
121Y98.9Very high98.7Very high1 Ų130.6 Ų30.60%0.00419%0.186CC..EExtended strand (participates in β ladder)trans-114.7138179.5174.9-82.7000111.7I78 D79 D80 W82 D123 T128 K156 D158I78-Y121 WeakPolarHBondContact O-CB 3.2Å; I78-Y121 PolarHBondContact O-N 3.05Å; D79-Y121 VanDerWaalsContact C-CB 3.42Å; D79-Y121 WeakPolarHBondContact O-CB 3.35Å; D80-Y121 HydrophobicContact CB-CD1 4.05Å; D80-Y121 HydrophobicContact CB-CE1 3.75Å; D80-Y121 HydrophobicContact CB-CE2 4.31Å; D80-Y121 HydrophobicContact CB-CG 4.48Å; W82-Y121 PolarHBondContact NE1-O 3.39Å; Y121-D123 HydrophobicContact CE1-CB 4.37Å; Y121-T128 HydrophobicContact CD1-CG2 4.41Å; Y121-T128 HydrophobicContact CE1-CG2 3.69Å; Y121-K156 WeakPolarHBondContact CA-O 3.37Å; Y121-K156 HydrophobicContact CD2-CB 4.42Å; Y121-K156 HydrophobicContact CD2-CD 3.92Å; Y121-K156 HydrophobicContact CD2-CG 4.08Å; Y121-K156 HydrophobicContact CE2-CD 4.34Å; Y121-D158 HydrophobicContact CE2-CB 3.58Å; Y121-D158 WeakPolarHBondContact CE2-OD2 3.27Å; Y121-D158 WeakPolarHBondContact OH-CB 3.47Å; Y121-D158 VanDerWaalsContact OH-CG 3.31Å; Y121-D158 PolarHBondContact OH-OD2 3.28Å
122G98.8Very high98.7Very high4 Ų431 Ų314%0.04119%0.188CC..EExtended strand (participates in β ladder)trans-137.4172.7162.600000110.1K156 F157 D158G122-K156 PolarHBondContact N-O 3.2Å; G122-F157 CarbonylContact O-C 3.44Å; G122-F157 WeakPolarHBondContact O-CA 3.39Å; G122-D158 PolarHBondContact O-N 3.04Å
123D98.9Very high98.7Very high0 Ų029.2 Ų29.20%018%0.181CC..EExtended strand (participates in β ladder)trans-130.8129.9179.7-171.4-52.8000109.9Y121 G125 T128 T135 D158 C160Y121-D123 HydrophobicContact CE1-CB 4.37Å; D123-G125 PolarHBondContact O-N 2.92Å; D123-G125 PolarHBondContact OD1-N 2.79Å; D123-T128 HydrophobicContact CB-CG2 4Å; D123-T135 WeakPolarHBondContact O-CA 3.26Å; D123-T135 VanDerWaalsContact O-CB 3.26Å; D123-T135 WeakPolarHBondContact O-CB 3.41Å; D123-T135 PolarHBondContact O-N 3.21Å; D123-D158 HydrophobicContact CB-CB 4.12Å; D123-C160 PolarHBondContact OD1-N 3.41Å; D123-C160 VanDerWaalsContact OD2-CB 3.29Å; D123-C160 WeakPolarHBondContact OD2-CB 3.37Å; D123-C160 PolarHBondContact OD2-N 2.79Å
124M98.6Very high98.7Very high2 Ų223.2 Ų23.21%0.0115%0.15CC..SBendtrans-73.179.1167.7-170.646.9-104.800110.1T135 L137 I140 F157 D158 S162 G170 Y171M124-T135 WeakPolarHBondContact CE-O 3.46Å; M124-L137 HydrophobicContact CE-CD2 4.13Å; M124-L137 HydrophobicContact CE-CG 4.3Å; M124-L137 HydrophobicContact SD-CD2 4.45Å; M124-I140 HydrophobicContact SD-CD1 4.05Å; M124-F157 HydrophobicContact CB-CD1 3.92Å; M124-F157 HydrophobicContact CB-CE1 3.41Å; M124-F157 VanDerWaalsContact CB-CE1 3.41Å; M124-F157 HydrophobicContact CB-CZ 3.75Å; M124-F157 HydrophobicContact CG-CE1 3.91Å; M124-F157 HydrophobicContact CG-CZ 4.34Å; M124-F157 HydrophobicContact SD-CE1 3.85Å; M124-F157 HydrophobicContact SD-CZ 3.93Å; M124-D158 WeakPolarHBondContact CB-O 3.26Å; M124-D158 PolarHBondContact N-O 2.8Å; M124-S162 WeakPolarHBondContact O-CB 3.08Å; M124-S162 PolarHBondContact O-OG 3.14Å; M124-G170 VanDerWaalsContact SD-CA 3.51Å; M124-Y171 HydrophobicContact CB-CE2 4.22Å; M124-Y171 HydrophobicContact CG-CE2 4.45Å
125G98.3Very high98.7Very high2 Ų220.5 Ų20.52%0.02114%0.139CC..SBendtrans-179.5-178.6-178.700000112.6D123 L127 G134 T135 P136 C160D123-G125 PolarHBondContact O-N 2.92Å; D123-G125 PolarHBondContact OD1-N 2.79Å; G125-L127 VanDerWaalsContact C-N 3.34Å; G125-G134 CarbonylContact O-C 3.55Å; G125-G134 VanDerWaalsContact O-C 3.23Å; G125-G134 VanDerWaalsContact O-CA 3.31Å; G125-G134 WeakPolarHBondContact O-CA 3.47Å; G125-T135 CarbonylContact O-C 3.59Å; G125-T135 VanDerWaalsContact O-C 3.31Å; G125-T135 PolarHBondContact O-N 2.79Å; G125-P136 WeakPolarHBondContact O-CD 3.44Å; G125-P136 VanDerWaalsContact O-N 3.16Å; G125-C160 WeakPolarHBondContact CA-O 3.04Å
126T98.3Very high98.7Very high85 Ų8519.7 Ų19.752%0.52113%0.125SC..SBendtrans-73.9-28.9177.451.10000112.7G134 Y161T126-G134 PolarHBondContact O-N 3.48Å; T126-G134 VanDerWaalsContact O-N 3.1Å; T126-Y161 PolarHBondContact N-O 3.41Å; T126-Y161 PolarHBondContact OG1-O 3.01Å
127L98.7Very high98.7Very high66 Ų6622.7 Ų22.735%0.34614%0.14SC..BIsolated β-bridgetrans-137.5155.8176.6-64.7171.9000109.5G125 Y132 Y161G125-L127 VanDerWaalsContact C-N 3.34Å; L127-Y132 CarbonylContact C-O 3.56Å; L127-Y132 WeakPolarHBondContact CA-O 3.3Å; L127-Y132 WeakPolarHBondContact CD2-O 3.44Å; L127-Y161 HydrophobicContact CB-CD1 4.41Å; L127-Y161 HydrophobicContact CB-CD2 3.65Å; L127-Y161 HydrophobicContact CB-CE2 4.02Å; L127-Y161 HydrophobicContact CB-CG 3.86Å; L127-Y161 HydrophobicContact CD1-CD1 4.37Å; L127-Y161 HydrophobicContact CD1-CE1 4.26Å; L127-Y161 WeakPolarHBondContact O-CD2 3.44Å
128T98.9Very high98.6Very high5 Ų524.5 Ų24.53%0.03115%0.154CC..  trans-69.6164.4163.173.80000110.8D80 Y121 D123 G130 G131 Y132 Y161D80-T128 VanDerWaalsContact CG-OG1 3.26Å; D80-T128 WeakPolarHBondContact OD1-CB 3.2Å; D80-T128 PolarHBondContact OD1-OG1 3Å; D80-T128 WeakPolarHBondContact OD2-CB 3.45Å; D80-T128 PolarHBondContact OD2-OG1 2.88Å; D80-T128 VanDerWaalsContact OD2-OG1 3.04Å; Y121-T128 HydrophobicContact CD1-CG2 4.41Å; Y121-T128 HydrophobicContact CE1-CG2 3.69Å; D123-T128 HydrophobicContact CB-CG2 4Å; T128-G130 PolarHBondContact O-N 3.23Å; T128-G130 PolarHBondContact OG1-N 2.88Å; T128-G131 WeakPolarHBondContact O-CA 3.49Å; T128-G131 PolarHBondContact O-N 3.17Å; T128-G131 PolarHBondContact OG1-N 3.07Å; T128-Y132 PolarHBondContact N-O 3.16Å; T128-Y132 WeakPolarHBondContact OG1-CB 3.48Å; T128-Y132 PolarHBondContact OG1-N 3.23Å; T128-Y161 WeakPolarHBondContact O-CD2 3.21Å; T128-Y161 WeakPolarHBondContact O-CE2 3.21Å
129C98.4Very high98.6Very high44 Ų4427.1 Ų27.130%0.29717%0.165SC..THydrogen-bonded Turntrans-55.1-34.3175.5-56.50000113.2G131 D158 C160 Y194C129-G131 VanDerWaalsContact C-N 3.27Å; C129-G131 PolarHBondContact O-N 3.07Å; C129-D158 PolarHBondContact SG-OD2 3.36Å; C129-D158 VanDerWaalsContact SG-OD2 3.33Å; C129-C160 VanDerWaalsContact CA-SG 3.55Å; C129-C160 HydrophobicContact CB-CB 3.95Å; C129-C160 WeakPolarHBondContact CB-SG 3.35Å; C129-C160 WeakPolarHBondContact SG-CB 3.46Å; C129-C160 CovalentContact SG-SG 2.04Å; C129-C160 PolarHBondContact SG-SG 3.37Å; C129-Y194 PolarHBondContact SG-OH 3.36Å
130G97.9Very high98.6Very high30 Ų3027.4 Ų27.431%0.30917%0.166SC..THydrogen-bonded Turntrans-82.28.3173.400000115D80 T128 Y132D80-G130 VanDerWaalsContact OD2-CA 3.3Å; D80-G130 WeakPolarHBondContact OD2-CA 3.41Å; D80-G130 PolarHBondContact OD2-N 3.16Å; T128-G130 PolarHBondContact O-N 3.23Å; T128-G130 PolarHBondContact OG1-N 2.88Å; G130-Y132 VanDerWaalsContact O-CD2 3.32Å; G130-Y132 WeakPolarHBondContact O-CD2 3.42Å; G130-Y132 WeakPolarHBondContact O-CE2 3.26Å
131G98.4Very high98.6Very high24 Ų2432.5 Ų32.525%0.24720%0.198CC..SBendtrans72.630.9175.300000114.3K85 T128 C129K85-G131 PolarHBondContact NZ-O 2.8Å; T128-G131 WeakPolarHBondContact O-CA 3.49Å; T128-G131 PolarHBondContact O-N 3.17Å; T128-G131 PolarHBondContact OG1-N 3.07Å; C129-G131 VanDerWaalsContact C-N 3.27Å; C129-G131 PolarHBondContact O-N 3.07Å
132Y98.8Very high98.6Very high8 Ų834.6 Ų34.63%0.03121%0.208CC..SBendtrans-94.4167.6170.1-69.2-98.1000110.4C81 A83 K85 L127 T128 G130 G134C81-Y132 VanDerWaalsContact CA-CE2 3.48Å; C81-Y132 HydrophobicContact CB-CD2 4.28Å; C81-Y132 HydrophobicContact CB-CE2 3.59Å; C81-Y132 VanDerWaalsContact SG-CE2 3.52Å; A83-Y132 HydrophobicContact CB-CD1 4.39Å; A83-Y132 WeakPolarHBondContact O-CD1 3.26Å; A83-Y132 WeakPolarHBondContact O-CE1 3.37Å; K85-Y132 HydrophobicContact CD-CD1 3.75Å; K85-Y132 HydrophobicContact CD-CE1 3.86Å; K85-Y132 HydrophobicContact CD-CG 4.33Å; K85-Y132 HydrophobicContact CG-CE1 4.5Å; K85-Y132 VanDerWaalsContact NZ-CE2 3.29Å; L127-Y132 CarbonylContact C-O 3.56Å; L127-Y132 WeakPolarHBondContact CA-O 3.3Å; L127-Y132 WeakPolarHBondContact CD2-O 3.44Å; T128-Y132 PolarHBondContact N-O 3.16Å; T128-Y132 WeakPolarHBondContact OG1-CB 3.48Å; T128-Y132 PolarHBondContact OG1-N 3.23Å; G130-Y132 VanDerWaalsContact O-CD2 3.32Å; G130-Y132 WeakPolarHBondContact O-CD2 3.42Å; G130-Y132 WeakPolarHBondContact O-CE2 3.26Å; Y132-G134 PolarHBondContact O-N 2.86Å; Y132-G134 VanDerWaalsContact O-N 3.1Å
133P98.8Very high98.6Very high20 Ų2034.4 Ų34.413%0.1321%0.206CC..BIsolated β-bridgetrans-54.7117.9178.8-28.837.4000112.5S84 K85 R87 L93S84-P133 VanDerWaalsContact O-CD 3.24Å; S84-P133 WeakPolarHBondContact O-CD 3.37Å; K85-P133 WeakPolarHBondContact O-CG 3.48Å; R87-P133 HydrophobicContact CG-CB 4.27Å; L93-P133 HydrophobicContact CD2-CB 4.05Å
134G98.7Very high98.6Very high2 Ų234.4 Ų34.42%0.02121%0.207CC..  trans-80.4178.9174.300000112R87 G125 T126 Y132 P136R87-G134 PolarHBondContact NH2-O 3.28Å; G125-G134 CarbonylContact O-C 3.55Å; G125-G134 VanDerWaalsContact O-C 3.23Å; G125-G134 VanDerWaalsContact O-CA 3.31Å; G125-G134 WeakPolarHBondContact O-CA 3.47Å; T126-G134 PolarHBondContact O-N 3.48Å; T126-G134 VanDerWaalsContact O-N 3.1Å; Y132-G134 PolarHBondContact O-N 2.86Å; Y132-G134 VanDerWaalsContact O-N 3.1Å; G134-P136 VanDerWaalsContact C-CD 3.43Å; G134-P136 WeakPolarHBondContact O-CD 3.5Å
135T98.9Very high98.7Very high1 Ų138 Ų381%0.00622%0.223CC..  trans-109.280.8176.1-51.30000109.9D123 M124 G125 K139 I140 D143 F157 M174D123-T135 WeakPolarHBondContact O-CA 3.26Å; D123-T135 VanDerWaalsContact O-CB 3.26Å; D123-T135 WeakPolarHBondContact O-CB 3.41Å; D123-T135 PolarHBondContact O-N 3.21Å; M124-T135 WeakPolarHBondContact CE-O 3.46Å; G125-T135 CarbonylContact O-C 3.59Å; G125-T135 VanDerWaalsContact O-C 3.31Å; G125-T135 PolarHBondContact O-N 2.79Å; T135-K139 HydrophobicContact CG2-CB 4.27Å; T135-I140 HydrophobicContact CG2-CG1 4.01Å; T135-D143 HydrophobicContact CG2-CB 3.99Å; T135-D143 VanDerWaalsContact CG2-OD2 3.3Å; T135-D143 WeakPolarHBondContact CG2-OD2 3.22Å; T135-D143 PolarHBondContact OG1-OD2 3.01Å; T135-D143 VanDerWaalsContact OG1-OD2 3.14Å; T135-F157 HydrophobicContact CG2-CE2 4.06Å; T135-F157 HydrophobicContact CG2-CZ 3.95Å; T135-M174 HydrophobicContact CG2-CE 3.76Å
136P98.4Very high98.7Very high33 Ų3337.9 Ų37.921%0.21422%0.222CC..  trans-66.3169172.428.4-34.5000111G125 G134 D138 K139 I140G125-P136 WeakPolarHBondContact O-CD 3.44Å; G125-P136 VanDerWaalsContact O-N 3.16Å; G134-P136 VanDerWaalsContact C-CD 3.43Å; G134-P136 WeakPolarHBondContact O-CD 3.5Å; P136-D138 WeakPolarHBondContact CG-OD1 3.38Å; P136-D138 PolarHBondContact O-N 3.21Å; P136-D138 VanDerWaalsContact O-N 3.09Å; P136-K139 HydrophobicContact CG-CB 4.26Å; P136-K139 HydrophobicContact CG-CG 3.77Å; P136-K139 WeakPolarHBondContact O-CA 3.24Å; P136-K139 PolarHBondContact O-N 3.07Å; P136-I140 PolarHBondContact O-N 3.12Å
137L98.8Very high98.7Very high68 Ų6833.8 Ų33.836%0.35620%0.197SC..THydrogen-bonded Turntrans-53-37.1-172.4-66.6173.8000113.8M124 K139 I140 Q169M124-L137 HydrophobicContact CE-CD2 4.13Å; M124-L137 HydrophobicContact CE-CG 4.3Å; M124-L137 HydrophobicContact SD-CD2 4.45Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.27Å; L137-I140 HydrophobicContact CD2-CD1 3.96Å; L137-Q169 HydrophobicContact CD2-CB 3.93Å
138D98.4Very high98.7Very high117 Ų11731.3 Ų31.363%0.62619%0.186SC*.THydrogen-bonded Turntrans-74.9-11.917970.6-51000113.8P136P136-D138 WeakPolarHBondContact CG-OD1 3.38Å; P136-D138 PolarHBondContact O-N 3.21Å; P136-D138 VanDerWaalsContact O-N 3.09Å
139K98.7Very high98.7Very high55 Ų5534.9 Ų34.924%0.23921%0.205CC..THydrogen-bonded Turntrans-102.6-10.7179-60-60.2176.5-168.80114.6T135 P136 L137 T141 I142 D143T135-K139 HydrophobicContact CG2-CB 4.27Å; P136-K139 HydrophobicContact CG-CB 4.26Å; P136-K139 HydrophobicContact CG-CG 3.77Å; P136-K139 WeakPolarHBondContact O-CA 3.24Å; P136-K139 PolarHBondContact O-N 3.07Å; L137-K139 VanDerWaalsContact C-N 3.27Å; L137-K139 PolarHBondContact O-N 3.27Å; K139-T141 VanDerWaalsContact C-N 3.31Å; K139-T141 PolarHBondContact O-N 3.43Å; K139-I142 HydrophobicContact CB-CG2 4.14Å; K139-I142 HydrophobicContact CD-CG2 3.95Å; K139-I142 WeakPolarHBondContact O-CG2 3.42Å; K139-I142 PolarHBondContact O-N 2.97Å; K139-D143 WeakPolarHBondContact O-CB 3.48Å; K139-D143 PolarHBondContact O-N 3.04Å
140I98.9Very high98.7Very high6 Ų634.3 Ų34.33%0.03120%0.197CC..Hα-helixtrans-51.6-47.6-177-70.9177.5000112.7M124 T135 P136 L137 A144 A173 M174 A177M124-I140 HydrophobicContact SD-CD1 4.05Å; T135-I140 HydrophobicContact CG2-CG1 4.01Å; P136-I140 PolarHBondContact O-N 3.12Å; L137-I140 HydrophobicContact CD2-CD1 3.96Å; I140-A144 VanDerWaalsContact O-CB 3.27Å; I140-A144 WeakPolarHBondContact O-CB 3.31Å; I140-A144 PolarHBondContact O-N 3.39Å; I140-A173 HydrophobicContact CD1-CB 3.77Å; I140-A173 HydrophobicContact CG2-CB 4.3Å; I140-M174 HydrophobicContact CB-CE 4.4Å; I140-M174 HydrophobicContact CG1-CE 4.4Å; I140-M174 HydrophobicContact CG2-CB 4.09Å; I140-M174 HydrophobicContact CG2-CE 4.05Å; I140-M174 HydrophobicContact CG2-SD 4.31Å; I140-A177 HydrophobicContact CG2-CB 3.78Å
141T98.9Very high98.8Very high109 Ų10938.9 Ų38.967%0.66921%0.208SC*.Hα-helixtrans-69.2-42.6-176.2-58.70000112K139 Q145K139-T141 VanDerWaalsContact C-N 3.31Å; K139-T141 PolarHBondContact O-N 3.43Å; T141-Q145 WeakPolarHBondContact O-CB 3.41Å; T141-Q145 PolarHBondContact O-N 2.9Å; T141-Q145 VanDerWaalsContact O-N 3.1Å
142I98.8Very high98.8Very high45 Ų4537.8 Ų37.823%0.23120%0.196CC..Hα-helixtrans-69.4-36.5-179.4-173.1169.5000111.3N90 R92 K139 T146N90-I142 VanDerWaalsContact O-CD1 3.27Å; N90-I142 WeakPolarHBondContact O-CD1 3.33Å; R92-I142 HydrophobicContact CG-CD1 3.61Å; R92-I142 HydrophobicContact CG-CG1 3.81Å; K139-I142 HydrophobicContact CB-CG2 4.14Å; K139-I142 HydrophobicContact CD-CG2 3.95Å; K139-I142 WeakPolarHBondContact O-CG2 3.42Å; K139-I142 PolarHBondContact O-N 2.97Å; I142-T146 WeakPolarHBondContact O-CB 3.19Å; I142-T146 PolarHBondContact O-N 3.44Å; I142-T146 PolarHBondContact O-OG1 3.22Å
143D98.9Very high98.8Very high0 Ų038.2 Ų38.20%020%0.199CC..Hα-helixtrans-75.1-41.9-179.9-69.1-14.4000111.6R87 L93 T135 K139 Q145 T146 F147R87-D143 IonicContact CZ-OD1 3.12Å; R87-D143 IonicContact CZ-OD2 2.82Å; R87-D143 IonicContact NH1-OD1 3.78Å; R87-D143 PolarHBondContact NH1-OD1 3.49Å; R87-D143 IonicContact NH1-OD2 2.74Å; R87-D143 PolarHBondContact NH1-OD2 3.04Å; R87-D143 IonicContact NH2-OD1 3.42Å; R87-D143 IonicContact NH2-OD2 3.37Å; R87-D143 PolarHBondContact NH2-OD2 3.24Å; L93-D143 HydrophobicContact CD1-CB 4.3Å; T135-D143 HydrophobicContact CG2-CB 3.99Å; T135-D143 VanDerWaalsContact CG2-OD2 3.3Å; T135-D143 WeakPolarHBondContact CG2-OD2 3.22Å; T135-D143 PolarHBondContact OG1-OD2 3.01Å; T135-D143 VanDerWaalsContact OG1-OD2 3.14Å; K139-D143 WeakPolarHBondContact O-CB 3.48Å; K139-D143 PolarHBondContact O-N 3.04Å; D143-Q145 VanDerWaalsContact C-N 3.32Å; D143-Q145 PolarHBondContact O-N 3.37Å; D143-T146 WeakPolarHBondContact O-CA 3.33Å; D143-T146 WeakPolarHBondContact O-CB 3.29Å; D143-T146 PolarHBondContact O-N 3.28Å; D143-F147 HydrophobicContact CB-CE2 4.1Å; D143-F147 HydrophobicContact CB-CZ 4.33Å; D143-F147 WeakPolarHBondContact O-CD2 3.44Å; D143-F147 VanDerWaalsContact O-CG 3.28Å; D143-F147 WeakPolarHBondContact O-CG 3.48Å; D143-F147 PolarHBondContact O-N 2.84Å
144A98.9Very high98.8Very high1 Ų137.4 Ų37.41%0.00819%0.194CC..Hα-helixtrans-55.7-47.1171.500000111.7I140 T146 F147 A148 M174 A177 L178 T181I140-A144 VanDerWaalsContact O-CB 3.27Å; I140-A144 WeakPolarHBondContact O-CB 3.31Å; I140-A144 PolarHBondContact O-N 3.39Å; A144-T146 VanDerWaalsContact C-N 3.3Å; A144-T146 PolarHBondContact O-N 2.97Å; A144-F147 PolarHBondContact O-N 3Å; A144-A148 PolarHBondContact O-N 3.17Å; A144-A148 VanDerWaalsContact O-N 3.1Å; A144-M174 HydrophobicContact CB-SD 3.94Å; A144-A177 HydrophobicContact CB-CB 3.58Å; A144-L178 HydrophobicContact CB-CD2 4.12Å; A144-L178 HydrophobicContact CB-CG 4.46Å; A144-T181 HydrophobicContact CB-CG2 4.4Å
145Q98.9Very high98.8Very high76 Ų7637.3 Ų37.336%0.35519%0.193SC..Hα-helixtrans-63.8-37.7175.2-170.56152.200111.6T141 D143 F147 A148 D149T141-Q145 WeakPolarHBondContact O-CB 3.41Å; T141-Q145 PolarHBondContact O-N 2.9Å; T141-Q145 VanDerWaalsContact O-N 3.1Å; D143-Q145 VanDerWaalsContact C-N 3.32Å; D143-Q145 PolarHBondContact O-N 3.37Å; Q145-F147 PolarHBondContact O-N 3.19Å; Q145-A148 PolarHBondContact O-N 3.21Å; Q145-D149 PolarHBondContact NE2-OD1 3.48Å; Q145-D149 WeakPolarHBondContact O-CB 3.48Å; Q145-D149 PolarHBondContact O-N 2.69Å
146T98.9Very high98.8Very high0 Ų037.9 Ų37.90%020%0.195CC..Hα-helixtrans-60.7-46.3177.7-61.30000112.3R92 I142 D143 A144 A148 D149 W150R92-T146 PolarHBondContact NE-OG1 3.1Å; R92-T146 VanDerWaalsContact NH2-CA 3.33Å; R92-T146 PolarHBondContact NH2-OG1 2.83Å; I142-T146 WeakPolarHBondContact O-CB 3.19Å; I142-T146 PolarHBondContact O-N 3.44Å; I142-T146 PolarHBondContact O-OG1 3.22Å; D143-T146 WeakPolarHBondContact O-CA 3.33Å; D143-T146 WeakPolarHBondContact O-CB 3.29Å; D143-T146 PolarHBondContact O-N 3.28Å; A144-T146 VanDerWaalsContact C-N 3.3Å; A144-T146 PolarHBondContact O-N 2.97Å; T146-A148 VanDerWaalsContact C-N 3.35Å; T146-A148 PolarHBondContact O-N 2.97Å; T146-D149 PolarHBondContact O-N 3.07Å; T146-W150 HydrophobicContact CG2-CD2 3.88Å; T146-W150 HydrophobicContact CG2-CE3 4.03Å; T146-W150 HydrophobicContact CG2-CH2 3.57Å; T146-W150 HydrophobicContact CG2-CZ2 3.39Å; T146-W150 HydrophobicContact CG2-CZ3 3.88Å; T146-W150 VanDerWaalsContact O-CG 3.25Å; T146-W150 PolarHBondContact O-N 2.79Å; T146-W150 VanDerWaalsContact O-N 3.07Å
147F98.9Very high98.9Very high0 Ų036.3 Ų36.30%019%0.185CC..Hα-helixtrans-64.9-39.5176.9-56-41.1000112.2W82 L93 I120 D143 A144 Q145 W150 K151 V152 L155 I185W82-F147 HydrophobicContact CZ2-CE1 4.35Å; L93-F147 HydrophobicContact CD1-CE1 3.94Å; L93-F147 HydrophobicContact CD1-CZ 3.68Å; I120-F147 HydrophobicContact CD1-CD1 4.18Å; I120-F147 HydrophobicContact CD1-CE1 4.12Å; I120-F147 HydrophobicContact CG2-CD1 3.69Å; I120-F147 HydrophobicContact CG2-CE1 3.84Å; I120-F147 HydrophobicContact CG2-CG 4.08Å; I120-F147 HydrophobicContact CG2-CZ 4.34Å; D143-F147 HydrophobicContact CB-CE2 4.1Å; D143-F147 HydrophobicContact CB-CZ 4.33Å; D143-F147 WeakPolarHBondContact O-CD2 3.44Å; D143-F147 VanDerWaalsContact O-CG 3.28Å; D143-F147 WeakPolarHBondContact O-CG 3.48Å; D143-F147 PolarHBondContact O-N 2.84Å; A144-F147 PolarHBondContact O-N 3Å; Q145-F147 PolarHBondContact O-N 3.19Å; F147-W150 HydrophobicContact CD1-CE3 4.26Å; F147-W150 HydrophobicContact CD1-CZ3 4.31Å; F147-W150 HydrophobicContact CE1-CZ3 4.42Å; F147-W150 PolarHBondContact O-N 3.37Å; F147-K151 PolarHBondContact O-N 2.97Å; F147-V152 HydrophobicContact CB-CB 4.11Å; F147-V152 HydrophobicContact CB-CG2 4.21Å; F147-V152 WeakPolarHBondContact O-CB 3.25Å; F147-V152 PolarHBondContact O-N 3.3Å; F147-L155 HydrophobicContact CD2-CD1 4.08Å; F147-L155 HydrophobicContact CD2-CD2 4.21Å; F147-L155 HydrophobicContact CE2-CD1 3.7Å; F147-L155 HydrophobicContact CE2-CD2 4.1Å; F147-L155 HydrophobicContact CZ-CD1 4.16Å; F147-I185 HydrophobicContact CB-CD1 4.49Å
148A98.9Very high98.9Very high13 Ų1333.8 Ų33.811%0.10717%0.172CC..Hα-helixtrans-65.4-43.4176.100000112.8A144 Q145 T146 W150 K151 T181 R183 I185A144-A148 PolarHBondContact O-N 3.17Å; A144-A148 VanDerWaalsContact O-N 3.1Å; Q145-A148 PolarHBondContact O-N 3.21Å; T146-A148 VanDerWaalsContact C-N 3.35Å; T146-A148 PolarHBondContact O-N 2.97Å; A148-W150 VanDerWaalsContact C-N 3.25Å; A148-W150 PolarHBondContact O-N 3.37Å; A148-K151 WeakPolarHBondContact O-CA 3.22Å; A148-K151 PolarHBondContact O-N 3.3Å; A148-T181 VanDerWaalsContact CB-CB 3.48Å; A148-T181 HydrophobicContact CB-CG2 3.7Å; A148-R183 HydrophobicContact CB-CB 4.17Å; A148-I185 HydrophobicContact CB-CD1 4.21Å
149D98.8Very high98.9Very high80 Ų8028.3 Ų28.343%0.42814%0.143SC..Hα-helixtrans-60.2-37.3176.1-66.5-21.1000111.4R92 Q145 T146 K151R92-D149 IonicContact CZ-OD2 3.45Å; R92-D149 IonicContact NH1-OD2 3.84Å; R92-D149 PolarHBondContact NH1-OD2 3.45Å; R92-D149 IonicContact NH2-OD2 3.03Å; R92-D149 PolarHBondContact NH2-OD2 2.98Å; Q145-D149 PolarHBondContact NE2-OD1 3.48Å; Q145-D149 WeakPolarHBondContact O-CB 3.48Å; Q145-D149 PolarHBondContact O-N 2.69Å; T146-D149 PolarHBondContact O-N 3.07Å; D149-K151 PolarHBondContact O-N 3.43Å
150W98.9Very high98.9Very high32 Ų3227 Ų2712%0.12114%0.14CC..THydrogen-bonded Turntrans-78.3-0.8175.7-64.7-9.1000114.2W82 L93 I104 P105 A108 I120 T146 F147 A148 V152W82-W150 AromaticContact CH2-CH2 3.68Å; W82-W150 HydrophobicContact CH2-CH2 3.68Å; W82-W150 AromaticContact CH2-CZ3 3.44Å; W82-W150 HydrophobicContact CH2-CZ3 3.44Å; W82-W150 VanDerWaalsContact CH2-CZ3 3.44Å; W82-W150 HydrophobicContact CZ2-CZ3 4.39Å; W82-W150 AromaticContact CZ3-CH2 3.93Å; W82-W150 HydrophobicContact CZ3-CH2 3.93Å; W82-W150 AromaticContact CZ3-CZ3 3.79Å; W82-W150 HydrophobicContact CZ3-CZ3 3.79Å; L93-W150 HydrophobicContact CB-CH2 4.31Å; L93-W150 VanDerWaalsContact O-CH2 3.3Å; L93-W150 WeakPolarHBondContact O-CH2 3.39Å; L93-W150 WeakPolarHBondContact O-CZ2 3.46Å; I104-W150 HydrophobicContact CB-CD2 3.93Å; I104-W150 HydrophobicContact CB-CE3 3.71Å; I104-W150 HydrophobicContact CB-CG 4.36Å; I104-W150 HydrophobicContact CB-CZ3 4.16Å; I104-W150 HydrophobicContact CG1-CE3 3.95Å; I104-W150 HydrophobicContact CG1-CH2 4.37Å; I104-W150 HydrophobicContact CG1-CZ3 3.87Å; I104-W150 HydrophobicContact CG2-CB 4.15Å; I104-W150 HydrophobicContact CG2-CD2 4.16Å; I104-W150 HydrophobicContact CG2-CE3 3.71Å; I104-W150 HydrophobicContact CG2-CG 4.4Å; I104-W150 HydrophobicContact CG2-CZ3 4.43Å; P105-W150 HydrophobicContact CG-CB 4.31Å; P105-W150 HydrophobicContact CG-CG 3.89Å; A108-W150 VanDerWaalsContact CB-O 3.26Å; A108-W150 WeakPolarHBondContact CB-O 3.16Å; I120-W150 HydrophobicContact CD1-CE3 4.16Å; I120-W150 HydrophobicContact CD1-CZ3 4.03Å; T146-W150 HydrophobicContact CG2-CD2 3.88Å; T146-W150 HydrophobicContact CG2-CE3 4.03Å; T146-W150 HydrophobicContact CG2-CH2 3.57Å; T146-W150 HydrophobicContact CG2-CZ2 3.39Å; T146-W150 HydrophobicContact CG2-CZ3 3.88Å; T146-W150 VanDerWaalsContact O-CG 3.25Å; T146-W150 PolarHBondContact O-N 2.79Å; T146-W150 VanDerWaalsContact O-N 3.07Å; F147-W150 HydrophobicContact CD1-CE3 4.26Å; F147-W150 HydrophobicContact CD1-CZ3 4.31Å; F147-W150 HydrophobicContact CE1-CZ3 4.42Å; F147-W150 PolarHBondContact O-N 3.37Å; A148-W150 VanDerWaalsContact C-N 3.25Å; A148-W150 PolarHBondContact O-N 3.37Å; W150-V152 VanDerWaalsContact C-N 3.32Å; W150-V152 HydrophobicContact CB-CG2 4.32Å; W150-V152 PolarHBondContact O-N 2.93Å
151K98.9Very high98.8Very high127 Ų12732.8 Ų32.855%0.55216%0.163SC*.THydrogen-bonded Turntrans59.737.6-177.7-51.3-178.9179.7-178.90113.4H112 F147 A148 D149 R183H112-K151 PolarHBondContact CE1-O 2.95Å; F147-K151 PolarHBondContact O-N 2.97Å; A148-K151 WeakPolarHBondContact O-CA 3.22Å; A148-K151 PolarHBondContact O-N 3.3Å; D149-K151 PolarHBondContact O-N 3.43Å; K151-R183 PolarHBondContact O-NH2 3.08Å
152V98.9Very high98.8Very high0 Ų029 Ų290%014%0.14CC..  trans-64.7144.8170.3170.50000110.3L118 I120 F147 W150 M154 R183 I185L118-V152 HydrophobicContact CD2-CG2 4.28Å; I120-V152 HydrophobicContact CB-CG1 4.07Å; I120-V152 HydrophobicContact CB-CG2 4.18Å; I120-V152 HydrophobicContact CD1-CG2 4.35Å; I120-V152 HydrophobicContact CG2-CB 4.46Å; I120-V152 HydrophobicContact CG2-CG1 3.68Å; I120-V152 HydrophobicContact CG2-CG2 4.07Å; F147-V152 HydrophobicContact CB-CB 4.11Å; F147-V152 HydrophobicContact CB-CG2 4.21Å; F147-V152 WeakPolarHBondContact O-CB 3.25Å; F147-V152 PolarHBondContact O-N 3.3Å; W150-V152 VanDerWaalsContact C-N 3.32Å; W150-V152 HydrophobicContact CB-CG2 4.32Å; W150-V152 PolarHBondContact O-N 2.93Å; V152-M154 WeakPolarHBondContact CG1-O 3.4Å; V152-R183 PolarHBondContact O-NE 3.16Å; V152-I185 WeakPolarHBondContact O-CG1 3.38Å
153D98.9Very high98.8Very high17 Ų1730.6 Ų30.69%0.09115%0.149CC..SBendtrans-105.7-18.5-179.1-58.7-72.7000113.7H112 K117 L118 R183 I185 G186H112-D153 IonicContact CD2-OD2 3.51Å; H112-D153 IonicContact CE1-OD2 3.22Å; H112-D153 IonicContact NE2-OD1 3.04Å; H112-D153 IonicContact NE2-OD2 3.2Å; H112-D153 PolarHBondContact NE2-OD2 2.92Å; K117-D153 VanDerWaalsContact CA-OD2 3.31Å; K117-D153 WeakPolarHBondContact CA-OD2 3.34Å; K117-D153 HydrophobicContact CB-CB 3.79Å; K117-D153 HydrophobicContact CG-CB 4.27Å; L118-D153 PolarHBondContact N-OD2 3.26Å; L118-D153 WeakPolarHBondContact O-CA 3.23Å; L118-D153 WeakPolarHBondContact O-CB 3.42Å; L118-D153 PolarHBondContact O-N 3.12Å; D153-R183 IonicContact OD1-CZ 2.92Å; D153-R183 IonicContact OD1-NH2 3.16Å; D153-R183 PolarHBondContact OD1-NH2 3.14Å; D153-R183 IonicContact OD2-NH2 3.48Å; D153-I185 WeakPolarHBondContact O-CA 3.37Å; D153-G186 PolarHBondContact O-N 3.44Å
154M98.9Very high98.7Very high3 Ų332.9 Ų32.92%0.01517%0.169CC..EExtended strand (participates in β ladder)trans-148.3141.6178.5179.7176166.500111.2M24 Y75 L118 G119 I120 V152 G186 L213 F283M24-M154 HydrophobicContact CE-CE 4.34Å; M24-M154 HydrophobicContact CE-CG 4.04Å; M24-M154 HydrophobicContact CE-SD 3.65Å; Y75-M154 HydrophobicContact CD1-CB 4.02Å; Y75-M154 HydrophobicContact CD1-SD 4.01Å; Y75-M154 HydrophobicContact CE1-CB 3.94Å; Y75-M154 HydrophobicContact CE1-SD 4.23Å; Y75-M154 HydrophobicContact CG-SD 4.48Å; L118-M154 PolarHBondContact O-N 2.9Å; G119-M154 CarbonylContact C-O 3.23Å; G119-M154 VanDerWaalsContact CA-O 3.23Å; G119-M154 WeakPolarHBondContact CA-O 3.4Å; I120-M154 PolarHBondContact N-O 2.87Å; V152-M154 WeakPolarHBondContact CG1-O 3.4Å; M154-G186 CarbonylContact C-O 3.34Å; M154-G186 VanDerWaalsContact CA-O 3.24Å; M154-G186 WeakPolarHBondContact CA-O 3.45Å; M154-L213 HydrophobicContact CE-CD1 4.28Å; M154-L213 HydrophobicContact CE-CD2 4.17Å; M154-F283 HydrophobicContact CE-CE1 4.47Å; M154-F283 HydrophobicContact CE-CE2 3.76Å; M154-F283 HydrophobicContact CE-CZ 3.48Å; M154-F283 VanDerWaalsContact CE-CZ 3.48Å; M154-F283 HydrophobicContact SD-CE1 4.33Å; M154-F283 HydrophobicContact SD-CZ 3.72Å
155L98.9Very high98.7Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-117.4120.9171176.565.8000109.2I120 F147 F157 M174 L178 I185 G186 Y187 S188I120-L155 HydrophobicContact CG2-CD1 3.84Å; I120-L155 WeakPolarHBondContact O-CA 3.33Å; F147-L155 HydrophobicContact CD2-CD1 4.08Å; F147-L155 HydrophobicContact CD2-CD2 4.21Å; F147-L155 HydrophobicContact CE2-CD1 3.7Å; F147-L155 HydrophobicContact CE2-CD2 4.1Å; F147-L155 HydrophobicContact CZ-CD1 4.16Å; L155-F157 HydrophobicContact CD2-CB 4.29Å; L155-F157 HydrophobicContact CD2-CD2 4.08Å; L155-F157 HydrophobicContact CD2-CG 4.34Å; L155-F157 HydrophobicContact CG-CB 4.28Å; L155-M174 HydrophobicContact CD2-CE 4.35Å; L155-M174 HydrophobicContact CD2-CG 3.97Å; L155-M174 HydrophobicContact CD2-SD 3.87Å; L155-L178 HydrophobicContact CD2-CD1 4.13Å; L155-L178 HydrophobicContact CD2-CD2 4.37Å; L155-I185 HydrophobicContact CB-CG2 4.18Å; L155-G186 PolarHBondContact N-O 2.74Å; L155-Y187 HydrophobicContact CB-CD2 4.43Å; L155-Y187 HydrophobicContact CD2-CD2 4.23Å; L155-Y187 HydrophobicContact CD2-CE2 4.11Å; L155-Y187 HydrophobicContact CG-CD2 4.47Å; L155-S188 PolarHBondContact O-N 3.41Å
156K98.9Very high98.6Very high14 Ų1436 Ų366%0.06119%0.188CC..EExtended strand (participates in β ladder)trans-84.2125.9156175.9179.5161.7-1650108L32 D79 I120 Y121 G122 S188L32-K156 HydrophobicContact CD1-CD 4.47Å; D79-K156 VanDerWaalsContact CG-NZ 3.34Å; D79-K156 IonicContact OD1-NZ 3.88Å; D79-K156 PolarHBondContact OD1-NZ 3.13Å; D79-K156 VanDerWaalsContact OD2-CD 3.26Å; D79-K156 WeakPolarHBondContact OD2-CD 3.38Å; D79-K156 WeakPolarHBondContact OD2-CE 3.39Å; D79-K156 IonicContact OD2-NZ 3.7Å; D79-K156 PolarHBondContact OD2-NZ 2.87Å; I120-K156 PolarHBondContact O-N 3.49Å; Y121-K156 WeakPolarHBondContact CA-O 3.37Å; Y121-K156 HydrophobicContact CD2-CB 4.42Å; Y121-K156 HydrophobicContact CD2-CD 3.92Å; Y121-K156 HydrophobicContact CD2-CG 4.08Å; Y121-K156 HydrophobicContact CE2-CD 4.34Å; G122-K156 PolarHBondContact N-O 3.2Å; K156-S188 WeakPolarHBondContact CA-O 3.47Å
157F98.9Very high98.6Very high0 Ų036.3 Ų36.30%019%0.19CC..EExtended strand (participates in β ladder)trans-120.5103-178-156.4-131.1000110.2G122 M124 T135 L155 Y171 M174 Y187 S188 S190G122-F157 CarbonylContact O-C 3.44Å; G122-F157 WeakPolarHBondContact O-CA 3.39Å; M124-F157 HydrophobicContact CB-CD1 3.92Å; M124-F157 HydrophobicContact CB-CE1 3.41Å; M124-F157 VanDerWaalsContact CB-CE1 3.41Å; M124-F157 HydrophobicContact CB-CZ 3.75Å; M124-F157 HydrophobicContact CG-CE1 3.91Å; M124-F157 HydrophobicContact CG-CZ 4.34Å; M124-F157 HydrophobicContact SD-CE1 3.85Å; M124-F157 HydrophobicContact SD-CZ 3.93Å; T135-F157 HydrophobicContact CG2-CE2 4.06Å; T135-F157 HydrophobicContact CG2-CZ 3.95Å; L155-F157 HydrophobicContact CD2-CB 4.29Å; L155-F157 HydrophobicContact CD2-CD2 4.08Å; L155-F157 HydrophobicContact CD2-CG 4.34Å; L155-F157 HydrophobicContact CG-CB 4.28Å; F157-Y171 HydrophobicContact CB-CE1 4.26Å; F157-Y171 AromaticContact CD1-CD1 3.9Å; F157-Y171 HydrophobicContact CD1-CD1 3.9Å; F157-Y171 AromaticContact CD1-CE1 3.81Å; F157-Y171 HydrophobicContact CD1-CE1 3.81Å; F157-Y171 HydrophobicContact CG-CE1 4.43Å; F157-Y171 VanDerWaalsContact O-CE1 3.26Å; F157-Y171 WeakPolarHBondContact O-CE1 3.38Å; F157-Y171 PolarHBondContact O-OH 2.93Å; F157-M174 HydrophobicContact CD1-CB 4.18Å; F157-M174 HydrophobicContact CD1-CG 4.05Å; F157-M174 HydrophobicContact CD2-CE 4.38Å; F157-M174 HydrophobicContact CE1-CB 3.81Å; F157-M174 HydrophobicContact CE1-CE 4.18Å; F157-M174 HydrophobicContact CE1-CG 3.97Å; F157-M174 HydrophobicContact CE2-CE 3.71Å; F157-M174 HydrophobicContact CG-CG 4.41Å; F157-M174 HydrophobicContact CZ-CB 4.39Å; F157-M174 HydrophobicContact CZ-CE 3.59Å; F157-M174 HydrophobicContact CZ-CG 4.32Å; F157-Y187 HydrophobicContact CB-CD2 4.4Å; F157-Y187 HydrophobicContact CB-CE2 3.53Å; F157-Y187 HydrophobicContact CD1-CE2 4.08Å; F157-Y187 VanDerWaalsContact CD1-OH 3.28Å; F157-Y187 WeakPolarHBondContact CD1-OH 3.47Å; F157-Y187 HydrophobicContact CG-CE2 4.04Å; F157-S188 PolarHBondContact N-O 3.15Å; F157-S190 PolarHBondContact O-N 2.87Å
158D98.8Very high98.6Very high15 Ų1542.1 Ų42.18%0.0822%0.217CC..EExtended strand (participates in β ladder)trans-79.1-175-177-143.4-12.9000112Y121 G122 D123 M124 C129 Y171 S190 Y194Y121-D158 HydrophobicContact CE2-CB 3.58Å; Y121-D158 WeakPolarHBondContact CE2-OD2 3.27Å; Y121-D158 WeakPolarHBondContact OH-CB 3.47Å; Y121-D158 VanDerWaalsContact OH-CG 3.31Å; Y121-D158 PolarHBondContact OH-OD2 3.28Å; G122-D158 PolarHBondContact O-N 3.04Å; D123-D158 HydrophobicContact CB-CB 4.12Å; M124-D158 WeakPolarHBondContact CB-O 3.26Å; M124-D158 PolarHBondContact N-O 2.8Å; C129-D158 PolarHBondContact SG-OD2 3.36Å; C129-D158 VanDerWaalsContact SG-OD2 3.33Å; D158-Y171 VanDerWaalsContact C-OH 3.24Å; D158-Y171 PolarHBondContact O-OH 3.17Å; D158-S190 WeakPolarHBondContact OD1-CB 3.31Å; D158-S190 PolarHBondContact OD1-OG 3.5Å; D158-Y194 WeakPolarHBondContact OD1-CE2 3.25Å; D158-Y194 VanDerWaalsContact OD1-CZ 3.26Å; D158-Y194 PolarHBondContact OD1-OH 2.84Å
159G98.5Very high98.6Very high1 Ų146.6 Ų46.61%0.0124%0.236CC..  trans-145.923.9-173.800000115.1S162 Q167 Y194G159-S162 PolarHBondContact O-OG 2.75Å; G159-S162 VanDerWaalsContact O-OG 3.1Å; G159-Q167 PolarHBondContact O-NE2 3.28Å; G159-Y194 VanDerWaalsContact N-CE2 3.34Å; G159-Y194 WeakPolarHBondContact O-CD1 3.4Å; G159-Y194 WeakPolarHBondContact O-CE1 2.97Å
160C98.5Very high98.6Very high27 Ų2742.8 Ų42.818%0.18222%0.215CC..THydrogen-bonded Turntrans-68.4160.9173-75.40000110.6D123 G125 C129 S162 Y194D123-C160 PolarHBondContact OD1-N 3.41Å; D123-C160 VanDerWaalsContact OD2-CB 3.29Å; D123-C160 WeakPolarHBondContact OD2-CB 3.37Å; D123-C160 PolarHBondContact OD2-N 2.79Å; G125-C160 WeakPolarHBondContact CA-O 3.04Å; C129-C160 VanDerWaalsContact CA-SG 3.55Å; C129-C160 HydrophobicContact CB-CB 3.95Å; C129-C160 WeakPolarHBondContact CB-SG 3.35Å; C129-C160 WeakPolarHBondContact SG-CB 3.46Å; C129-C160 CovalentContact SG-SG 2.04Å; C129-C160 PolarHBondContact SG-SG 3.37Å; C160-S162 PolarHBondContact O-N 3.34Å; C160-Y194 PolarHBondContact SG-OH 2.76Å
161Y98.5Very high98.6Very high129 Ų12941.2 Ų41.251%0.50621%0.209SC..THydrogen-bonded Turntrans51.134.2174.5-58.2-86.3000115.4T126 L127 T128T126-Y161 PolarHBondContact N-O 3.41Å; T126-Y161 PolarHBondContact OG1-O 3.01Å; L127-Y161 HydrophobicContact CB-CD1 4.41Å; L127-Y161 HydrophobicContact CB-CD2 3.65Å; L127-Y161 HydrophobicContact CB-CE2 4.02Å; L127-Y161 HydrophobicContact CB-CG 3.86Å; L127-Y161 HydrophobicContact CD1-CD1 4.37Å; L127-Y161 HydrophobicContact CD1-CE1 4.26Å; L127-Y161 WeakPolarHBondContact O-CD2 3.44Å; T128-Y161 WeakPolarHBondContact O-CD2 3.21Å; T128-Y161 WeakPolarHBondContact O-CE2 3.21Å
162S98.3Very high98.6Very high28 Ų2836.9 Ų36.920%0.19619%0.194CC..  trans-136.8162.4169.558.30000111.5M124 G159 C160 E166 Q167M124-S162 WeakPolarHBondContact O-CB 3.08Å; M124-S162 PolarHBondContact O-OG 3.14Å; G159-S162 PolarHBondContact O-OG 2.75Å; G159-S162 VanDerWaalsContact O-OG 3.1Å; C160-S162 PolarHBondContact O-N 3.34Å; S162-E166 VanDerWaalsContact CA-OE2 3.25Å; S162-E166 WeakPolarHBondContact CA-OE2 3.32Å; S162-Q167 VanDerWaalsContact OG-CG 3.31Å; S162-Q167 WeakPolarHBondContact OG-CG 3.33Å; S162-Q167 PolarHBondContact OG-NE2 2.91Å
163N98.1Very high98.6Very high79 Ų7938.7 Ų38.742%0.42221%0.209SC..  trans-103.9169.2172.772.865.5000111.9T165 E166 Q167N163-T165 PolarHBondContact O-N 3.34Å; N163-T165 VanDerWaalsContact O-N 3.16Å; N163-T165 WeakPolarHBondContact OD1-CA 3.45Å; N163-T165 WeakPolarHBondContact OD1-CB 3.34Å; N163-T165 PolarHBondContact OD1-N 2.82Å; N163-E166 PolarHBondContact N-OE2 2.95Å; N163-E166 VanDerWaalsContact ND2-CD 3.25Å; N163-E166 PolarHBondContact ND2-OE2 3.04Å; N163-E166 PolarHBondContact O-N 3.11Å; N163-E166 VanDerWaalsContact O-N 3.08Å; N163-E166 PolarHBondContact OD1-N 2.88Å; N163-Q167 WeakPolarHBondContact O-CG 3.36Å; N163-Q167 PolarHBondContact O-N 2.86Å
164A97.6Very high98.6Very high49 Ų4937.9 Ų37.941%0.40521%0.205SC..Hα-helixtrans-56.2-35-176.900000114Q167 E168A164-Q167 PolarHBondContact O-N 3.27Å; A164-E168 WeakPolarHBondContact O-CB 3.08Å; A164-E168 PolarHBondContact O-N 3.25Å
165T98Very high98.6Very high78 Ų7838.4 Ų38.448%0.47921%0.209SC..Hα-helixtrans-69.5-41.5178.9-51.50000111.1N163 E168 Q169N163-T165 PolarHBondContact O-N 3.34Å; N163-T165 VanDerWaalsContact O-N 3.16Å; N163-T165 WeakPolarHBondContact OD1-CA 3.45Å; N163-T165 WeakPolarHBondContact OD1-CB 3.34Å; N163-T165 PolarHBondContact OD1-N 2.82Å; T165-E168 PolarHBondContact O-N 3Å; T165-Q169 WeakPolarHBondContact O-CG 3.41Å; T165-Q169 PolarHBondContact O-N 3.16Å
166E98.4Very high98.5Very high64 Ų6446.2 Ų46.230%0.29924%0.243SC..Hα-helixtrans-65.5-41.1177-69.2168.8142.200111S162 N163 Q169 G170S162-E166 VanDerWaalsContact CA-OE2 3.25Å; S162-E166 WeakPolarHBondContact CA-OE2 3.32Å; N163-E166 PolarHBondContact N-OE2 2.95Å; N163-E166 VanDerWaalsContact ND2-CD 3.25Å; N163-E166 PolarHBondContact ND2-OE2 3.04Å; N163-E166 PolarHBondContact O-N 3.11Å; N163-E166 VanDerWaalsContact O-N 3.08Å; N163-E166 PolarHBondContact OD1-N 2.88Å; E166-Q169 PolarHBondContact O-N 3.49Å; E166-G170 WeakPolarHBondContact O-CA 3.35Å; E166-G170 PolarHBondContact O-N 2.02Å
167Q98.4Very high98.5Very high6 Ų646.1 Ų46.13%0.02825%0.245CC..Hα-helixtrans-64.7-45.4176.7-65.9174.80.300111.6G159 S162 N163 A164 Q169 G170 Y171G159-Q167 PolarHBondContact O-NE2 3.28Å; S162-Q167 VanDerWaalsContact OG-CG 3.31Å; S162-Q167 WeakPolarHBondContact OG-CG 3.33Å; S162-Q167 PolarHBondContact OG-NE2 2.91Å; N163-Q167 WeakPolarHBondContact O-CG 3.36Å; N163-Q167 PolarHBondContact O-N 2.86Å; A164-Q167 PolarHBondContact O-N 3.27Å; Q167-Q169 PolarHBondContact O-N 3.02Å; Q167-G170 PolarHBondContact O-N 3.35Å; Q167-Y171 HydrophobicContact CB-CD2 4.03Å; Q167-Y171 HydrophobicContact CB-CE2 3.98Å; Q167-Y171 HydrophobicContact CG-CE2 4.12Å; Q167-Y171 WeakPolarHBondContact O-CD2 3.46Å; Q167-Y171 PolarHBondContact O-N 3.04Å; Q167-Y171 VanDerWaalsContact O-N 3.11Å
168E98.1Very high98.5Very high123 Ų12346.5 Ų46.558%0.57525%0.247SC*.Hα-helixtrans-57.6-34.1177.2-174.7178.4-170.200112.8A164 T165 P172 W191A164-E168 WeakPolarHBondContact O-CB 3.08Å; A164-E168 PolarHBondContact O-N 3.25Å; T165-E168 PolarHBondContact O-N 3Å; E168-P172 VanDerWaalsContact O-CD 3.29Å; E168-P172 WeakPolarHBondContact O-CD 3.41Å; E168-P172 WeakPolarHBondContact O-CG 3.48Å; E168-W191 HydrophobicContact CB-CZ2 4.09Å; E168-W191 HydrophobicContact CG-CZ2 4.32Å
169Q98.6Very high98.5Very high106 Ų10651.7 Ų51.750%0.49527%0.274SS..Hα-helixtrans-84-41.7175.6-66.2175.919.700112.5L137 T165 E166 Q167 A173L137-Q169 HydrophobicContact CD2-CB 3.93Å; T165-Q169 WeakPolarHBondContact O-CG 3.41Å; T165-Q169 PolarHBondContact O-N 3.16Å; E166-Q169 PolarHBondContact O-N 3.49Å; Q167-Q169 PolarHBondContact O-N 3.02Å; Q169-A173 WeakPolarHBondContact O-CB 3.29Å; Q169-A173 PolarHBondContact O-N 2.95Å; Q169-A173 VanDerWaalsContact O-N 3.16Å
170G98.8Very high98.5Very high0 Ų055.6 Ų55.60%031%0.307CS..Hα-helixtrans-74.1-44.2-166.700000114.1M124 E166 Q167 A173 M174M124-G170 VanDerWaalsContact SD-CA 3.51Å; E166-G170 WeakPolarHBondContact O-CA 3.35Å; E166-G170 PolarHBondContact O-N 2.02Å; Q167-G170 PolarHBondContact O-N 3.35Å; G170-A173 PolarHBondContact O-N 3.42Å; G170-M174 WeakPolarHBondContact O-CB 3.4Å; G170-M174 PolarHBondContact O-N 3.01Å
171Y98.9Very high98.5Very high0 Ų055.7 Ų55.70%031%0.307CS..Hα-helixtrans-61.9-48-179.6-78.3-78.7000112.8M124 F157 D158 Q167 S175 Y187 C189 W191M124-Y171 HydrophobicContact CB-CE2 4.22Å; M124-Y171 HydrophobicContact CG-CE2 4.45Å; F157-Y171 HydrophobicContact CB-CE1 4.26Å; F157-Y171 AromaticContact CD1-CD1 3.9Å; F157-Y171 HydrophobicContact CD1-CD1 3.9Å; F157-Y171 AromaticContact CD1-CE1 3.81Å; F157-Y171 HydrophobicContact CD1-CE1 3.81Å; F157-Y171 HydrophobicContact CG-CE1 4.43Å; F157-Y171 VanDerWaalsContact O-CE1 3.26Å; F157-Y171 WeakPolarHBondContact O-CE1 3.38Å; F157-Y171 PolarHBondContact O-OH 2.93Å; D158-Y171 VanDerWaalsContact C-OH 3.24Å; D158-Y171 PolarHBondContact O-OH 3.17Å; Q167-Y171 HydrophobicContact CB-CD2 4.03Å; Q167-Y171 HydrophobicContact CB-CE2 3.98Å; Q167-Y171 HydrophobicContact CG-CE2 4.12Å; Q167-Y171 WeakPolarHBondContact O-CD2 3.46Å; Q167-Y171 PolarHBondContact O-N 3.04Å; Q167-Y171 VanDerWaalsContact O-N 3.11Å; Y171-S175 PolarHBondContact O-N 3.42Å; Y171-S175 VanDerWaalsContact O-N 3.14Å; Y171-Y187 WeakPolarHBondContact CA-OH 3.24Å; Y171-Y187 WeakPolarHBondContact CD1-OH 3.33Å; Y171-Y187 PolarHBondContact O-OH 2.87Å; Y171-C189 HydrophobicContact CD1-CB 3.96Å; Y171-C189 HydrophobicContact CE1-CB 4.03Å; Y171-W191 HydrophobicContact CD1-CB 4Å; Y171-W191 HydrophobicContact CD2-CB 3.4Å; Y171-W191 VanDerWaalsContact CD2-CB 3.4Å; Y171-W191 AromaticContact CD2-CD1 3.74Å; Y171-W191 AromaticContact CD2-CD2 3.67Å; Y171-W191 HydrophobicContact CD2-CD2 3.67Å; Y171-W191 HydrophobicContact CD2-CE3 4.16Å; Y171-W191 AromaticContact CD2-CG 3.3Å; Y171-W191 HydrophobicContact CD2-CG 3.3Å; Y171-W191 HydrophobicContact CE1-CB 3.92Å; Y171-W191 HydrophobicContact CE2-CB 3.29Å; Y171-W191 AromaticContact CE2-CD1 3.73Å; Y171-W191 HydrophobicContact CE2-CD2 4.35Å; Y171-W191 AromaticContact CE2-CG 3.51Å; Y171-W191 HydrophobicContact CE2-CG 3.51Å; Y171-W191 HydrophobicContact CG-CB 3.77Å; Y171-W191 HydrophobicContact CG-CD2 4.07Å; Y171-W191 HydrophobicContact CG-CE3 4.09Å; Y171-W191 AromaticContact CG-CG 3.95Å; Y171-W191 HydrophobicContact CG-CG 3.95Å; Y171-W191 PolarHBondContact OH-N 3.49Å; Y171-W191 VanDerWaalsContact OH-N 3.14Å
172P98.8Very high98.5Very high35 Ų3552.8 Ų52.823%0.22732%0.316CS..Hα-helixtrans-64.5-38.3172.8-22.733.8000113.3E168 M174 S175 K176 W191 I210E168-P172 VanDerWaalsContact O-CD 3.29Å; E168-P172 WeakPolarHBondContact O-CD 3.41Å; E168-P172 WeakPolarHBondContact O-CG 3.48Å; P172-M174 PolarHBondContact O-N 3.34Å; P172-S175 PolarHBondContact O-N 2.64Å; P172-K176 PolarHBondContact O-N 3.34Å; P172-W191 HydrophobicContact CG-CZ3 4.5Å; P172-I210 HydrophobicContact CB-CD1 4.32Å; P172-I210 HydrophobicContact CG-CD1 3.83Å
173A98.9Very high98.5Very high39 Ų3954.7 Ų54.732%0.32232%0.319SS..Hα-helixtrans-63.6-40.7178.800000112I140 Q169 G170 K176 A177I140-A173 HydrophobicContact CD1-CB 3.77Å; I140-A173 HydrophobicContact CG2-CB 4.3Å; Q169-A173 WeakPolarHBondContact O-CB 3.29Å; Q169-A173 PolarHBondContact O-N 2.95Å; Q169-A173 VanDerWaalsContact O-N 3.16Å; G170-A173 PolarHBondContact O-N 3.42Å; A173-K176 PolarHBondContact O-N 3.33Å; A173-A177 WeakPolarHBondContact O-CB 3.41Å; A173-A177 PolarHBondContact O-N 3.48Å
174M98.9Very high98.5Very high0 Ų054.6 Ų54.60%032%0.322CS..Hα-helixtrans-65.9-43.2174.9177.658.875.300111.8T135 I140 A144 L155 F157 G170 P172 K176 A177 L178 Y187T135-M174 HydrophobicContact CG2-CE 3.76Å; I140-M174 HydrophobicContact CB-CE 4.4Å; I140-M174 HydrophobicContact CG1-CE 4.4Å; I140-M174 HydrophobicContact CG2-CB 4.09Å; I140-M174 HydrophobicContact CG2-CE 4.05Å; I140-M174 HydrophobicContact CG2-SD 4.31Å; A144-M174 HydrophobicContact CB-SD 3.94Å; L155-M174 HydrophobicContact CD2-CE 4.35Å; L155-M174 HydrophobicContact CD2-CG 3.97Å; L155-M174 HydrophobicContact CD2-SD 3.87Å; F157-M174 HydrophobicContact CD1-CB 4.18Å; F157-M174 HydrophobicContact CD1-CG 4.05Å; F157-M174 HydrophobicContact CD2-CE 4.38Å; F157-M174 HydrophobicContact CE1-CB 3.81Å; F157-M174 HydrophobicContact CE1-CE 4.18Å; F157-M174 HydrophobicContact CE1-CG 3.97Å; F157-M174 HydrophobicContact CE2-CE 3.71Å; F157-M174 HydrophobicContact CG-CG 4.41Å; F157-M174 HydrophobicContact CZ-CB 4.39Å; F157-M174 HydrophobicContact CZ-CE 3.59Å; F157-M174 HydrophobicContact CZ-CG 4.32Å; G170-M174 WeakPolarHBondContact O-CB 3.4Å; G170-M174 PolarHBondContact O-N 3.01Å; P172-M174 PolarHBondContact O-N 3.34Å; M174-K176 VanDerWaalsContact C-N 3.32Å; M174-K176 PolarHBondContact O-N 2.8Å; M174-A177 PolarHBondContact O-N 2.81Å; M174-A177 VanDerWaalsContact O-N 3.13Å; M174-L178 HydrophobicContact CG-CD1 4.14Å; M174-L178 HydrophobicContact CG-CG 4.31Å; M174-L178 WeakPolarHBondContact O-CB 3.12Å; M174-L178 WeakPolarHBondContact O-CG 3.33Å; M174-L178 PolarHBondContact O-N 3.39Å; M174-L178 HydrophobicContact SD-CD1 4.3Å; M174-L178 HydrophobicContact SD-CD2 4.23Å; M174-L178 HydrophobicContact SD-CG 3.9Å; M174-Y187 HydrophobicContact CB-CE2 4.39Å; M174-Y187 WeakPolarHBondContact CB-OH 3.5Å; M174-Y187 HydrophobicContact CG-CE2 3.64Å
175S98.8Very high98.6Very high14 Ų1452.5 Ų52.510%0.09831%0.305CS..Hα-helixtrans-54.9-47.7173.3-176.70000111.9Y171 P172 A177 L178 N179 I210Y171-S175 PolarHBondContact O-N 3.42Å; Y171-S175 VanDerWaalsContact O-N 3.14Å; P172-S175 PolarHBondContact O-N 2.64Å; S175-A177 PolarHBondContact O-N 2.63Å; S175-L178 PolarHBondContact O-N 2.92Å; S175-N179 WeakPolarHBondContact O-CB 3.06Å; S175-N179 PolarHBondContact O-N 2.6Å; S175-I210 VanDerWaalsContact CB-O 3.29Å; S175-I210 WeakPolarHBondContact CB-O 3.37Å; S175-I210 PolarHBondContact OG-O 2.86Å
176K98.7Very high98.6Very high163 Ų16348.8 Ų48.871%0.70928%0.282SS*.Hα-helixtrans-62.9-42.2175.9-176.8179.5177.1-177.60112.3P172 A173 M174 N179 A180P172-K176 PolarHBondContact O-N 3.34Å; A173-K176 PolarHBondContact O-N 3.33Å; M174-K176 VanDerWaalsContact C-N 3.32Å; M174-K176 PolarHBondContact O-N 2.8Å; K176-N179 PolarHBondContact O-N 3.46Å; K176-A180 WeakPolarHBondContact O-CB 3.46Å; K176-A180 PolarHBondContact O-N 3.05Å
177A98.9Very high98.6Very high13 Ų1345.9 Ų45.911%0.10727%0.268CS..Hα-helixtrans-66.2-44.3-179.600000111.7I140 A144 A173 M174 S175 N179 A180 T181I140-A177 HydrophobicContact CG2-CB 3.78Å; A144-A177 HydrophobicContact CB-CB 3.58Å; A173-A177 WeakPolarHBondContact O-CB 3.41Å; A173-A177 PolarHBondContact O-N 3.48Å; M174-A177 PolarHBondContact O-N 2.81Å; M174-A177 VanDerWaalsContact O-N 3.13Å; S175-A177 PolarHBondContact O-N 2.63Å; A177-N179 PolarHBondContact O-N 2.76Å; A177-A180 PolarHBondContact O-N 3.48Å; A177-T181 WeakPolarHBondContact O-CG2 3.44Å; A177-T181 PolarHBondContact O-N 3.16Å
178L98.9Very high98.7Very high8 Ų845.7 Ų45.74%0.04227%0.268CS..Hα-helixtrans-57.9-48.1173.9-69.9172.6000111A144 L155 M174 S175 A180 T181 I185 Y187A144-L178 HydrophobicContact CB-CD2 4.12Å; A144-L178 HydrophobicContact CB-CG 4.46Å; L155-L178 HydrophobicContact CD2-CD1 4.13Å; L155-L178 HydrophobicContact CD2-CD2 4.37Å; M174-L178 HydrophobicContact CG-CD1 4.14Å; M174-L178 HydrophobicContact CG-CG 4.31Å; M174-L178 WeakPolarHBondContact O-CB 3.12Å; M174-L178 WeakPolarHBondContact O-CG 3.33Å; M174-L178 PolarHBondContact O-N 3.39Å; M174-L178 HydrophobicContact SD-CD1 4.3Å; M174-L178 HydrophobicContact SD-CD2 4.23Å; M174-L178 HydrophobicContact SD-CG 3.9Å; S175-L178 PolarHBondContact O-N 2.92Å; L178-A180 VanDerWaalsContact C-N 3.3Å; L178-A180 PolarHBondContact O-N 2.75Å; L178-T181 WeakPolarHBondContact O-CB 3.36Å; L178-T181 PolarHBondContact O-N 3.46Å; L178-T181 VanDerWaalsContact O-N 3.17Å; L178-T181 PolarHBondContact O-OG1 3.27Å; L178-I185 HydrophobicContact CD2-CB 4.27Å; L178-I185 HydrophobicContact CD2-CD1 3.86Å; L178-I185 HydrophobicContact CD2-CG2 4.15Å; L178-Y187 HydrophobicContact CD1-CD1 4.49Å; L178-Y187 HydrophobicContact CD1-CD2 3.67Å; L178-Y187 HydrophobicContact CD1-CE2 4.18Å; L178-Y187 HydrophobicContact CD1-CG 3.86Å
179N98.5Very high98.7Very high123 Ų12339.9 Ų39.966%0.65824%0.24SC*.Hα-helixtrans-59.8-40.4177.1-171.936.8000112.3S175 K176 A177 T181 G182S175-N179 WeakPolarHBondContact O-CB 3.06Å; S175-N179 PolarHBondContact O-N 2.6Å; K176-N179 PolarHBondContact O-N 3.46Å; A177-N179 PolarHBondContact O-N 2.76Å; N179-T181 PolarHBondContact O-N 3.48Å; N179-G182 PolarHBondContact O-N 2.94Å; N179-G182 VanDerWaalsContact O-N 3.13Å
180A98.6Very high98.7Very high84 Ų8435 Ų3569%0.69422%0.218SC*.Hα-helixtrans-65.1-20.5179.600000113.9K176 A177 L178 G182K176-A180 WeakPolarHBondContact O-CB 3.46Å; K176-A180 PolarHBondContact O-N 3.05Å; A177-A180 PolarHBondContact O-N 3.48Å; L178-A180 VanDerWaalsContact C-N 3.3Å; L178-A180 PolarHBondContact O-N 2.75Å; A180-G182 PolarHBondContact O-N 3.11Å
181T98.7Very high98.7Very high29 Ų2936.1 Ų36.118%0.17822%0.222CC..THydrogen-bonded Turntrans-69.4-19.6175.173.80000113.2A144 A148 A177 L178 N179 R183A144-T181 HydrophobicContact CB-CG2 4.4Å; A148-T181 VanDerWaalsContact CB-CB 3.48Å; A148-T181 HydrophobicContact CB-CG2 3.7Å; A177-T181 WeakPolarHBondContact O-CG2 3.44Å; A177-T181 PolarHBondContact O-N 3.16Å; L178-T181 WeakPolarHBondContact O-CB 3.36Å; L178-T181 PolarHBondContact O-N 3.46Å; L178-T181 VanDerWaalsContact O-N 3.17Å; L178-T181 PolarHBondContact O-OG1 3.27Å; N179-T181 PolarHBondContact O-N 3.48Å; T181-R183 PolarHBondContact O-N 3.26Å; T181-R183 PolarHBondContact OG1-N 3.48Å
182G98Very high98.7Very high68 Ų6836.2 Ų36.270%0.70122%0.222SC*.SBendtrans75-3.1-174.600000114.8N179 A180N179-G182 PolarHBondContact O-N 2.94Å; N179-G182 VanDerWaalsContact O-N 3.13Å; A180-G182 PolarHBondContact O-N 3.11Å
183R98.3Very high98.7Very high67 Ų6736.1 Ų36.125%0.25323%0.225SC..SBendtrans-92127172.7-176.1175.9176.177.24.5109.9A148 K151 V152 D153 T181 I185A148-R183 HydrophobicContact CB-CB 4.17Å; K151-R183 PolarHBondContact O-NH2 3.08Å; V152-R183 PolarHBondContact O-NE 3.16Å; D153-R183 IonicContact OD1-CZ 2.92Å; D153-R183 IonicContact OD1-NH2 3.16Å; D153-R183 PolarHBondContact OD1-NH2 3.14Å; D153-R183 IonicContact OD2-NH2 3.48Å; T181-R183 PolarHBondContact O-N 3.26Å; T181-R183 PolarHBondContact OG1-N 3.48Å; R183-I185 HydrophobicContact CB-CG1 4.4Å; R183-I185 HydrophobicContact CG-CD1 4.49Å; R183-I185 HydrophobicContact CG-CG1 4.07Å; R183-I185 PolarHBondContact O-N 3.33Å; R183-I185 VanDerWaalsContact O-N 3.1Å
184P98.1Very high98.7Very high77 Ų7738.2 Ų38.250%0.523%0.225SC..  trans-64.4112.4170-21.133.3000110.5L23L23-P184 HydrophobicContact CD1-CB 3.93Å; L23-P184 HydrophobicContact CD2-CB 4.18Å; L23-P184 HydrophobicContact CG-CB 4.23Å
185I98.9Very high98.6Very high6 Ų639.8 Ų39.83%0.03123%0.232CC..  trans-122.7122.2175.9-61.4177.1000107.3F147 A148 V152 D153 L155 L178 R183F147-I185 HydrophobicContact CB-CD1 4.49Å; A148-I185 HydrophobicContact CB-CD1 4.21Å; V152-I185 WeakPolarHBondContact O-CG1 3.38Å; D153-I185 WeakPolarHBondContact O-CA 3.37Å; L155-I185 HydrophobicContact CB-CG2 4.18Å; L178-I185 HydrophobicContact CD2-CB 4.27Å; L178-I185 HydrophobicContact CD2-CD1 3.86Å; L178-I185 HydrophobicContact CD2-CG2 4.15Å; R183-I185 HydrophobicContact CB-CG1 4.4Å; R183-I185 HydrophobicContact CG-CD1 4.49Å; R183-I185 HydrophobicContact CG-CG1 4.07Å; R183-I185 PolarHBondContact O-N 3.33Å; R183-I185 VanDerWaalsContact O-N 3.1Å
186G98.8Very high98.5Very high0 Ų041.5 Ų41.50%025%0.252CS..EExtended strand (participates in β ladder)trans-65.2134.9174.200000110.3D153 M154 L155 N212D153-G186 PolarHBondContact O-N 3.44Å; M154-G186 CarbonylContact C-O 3.34Å; M154-G186 VanDerWaalsContact CA-O 3.24Å; M154-G186 WeakPolarHBondContact CA-O 3.45Å; L155-G186 PolarHBondContact N-O 2.74Å; G186-N212 WeakPolarHBondContact CA-OD1 3.39Å
187Y98.9Very high98.5Very high2 Ų233.8 Ų33.81%0.00822%0.219CC..EExtended strand (participates in β ladder)trans-119110.1-172.5-173.3-140.1000111.9L155 F157 Y171 M174 L178 C189 I210 C211 N212 L213L155-Y187 HydrophobicContact CB-CD2 4.43Å; L155-Y187 HydrophobicContact CD2-CD2 4.23Å; L155-Y187 HydrophobicContact CD2-CE2 4.11Å; L155-Y187 HydrophobicContact CG-CD2 4.47Å; F157-Y187 HydrophobicContact CB-CD2 4.4Å; F157-Y187 HydrophobicContact CB-CE2 3.53Å; F157-Y187 HydrophobicContact CD1-CE2 4.08Å; F157-Y187 VanDerWaalsContact CD1-OH 3.28Å; F157-Y187 WeakPolarHBondContact CD1-OH 3.47Å; F157-Y187 HydrophobicContact CG-CE2 4.04Å; Y171-Y187 WeakPolarHBondContact CA-OH 3.24Å; Y171-Y187 WeakPolarHBondContact CD1-OH 3.33Å; Y171-Y187 PolarHBondContact O-OH 2.87Å; M174-Y187 HydrophobicContact CB-CE2 4.39Å; M174-Y187 WeakPolarHBondContact CB-OH 3.5Å; M174-Y187 HydrophobicContact CG-CE2 3.64Å; L178-Y187 HydrophobicContact CD1-CD1 4.49Å; L178-Y187 HydrophobicContact CD1-CD2 3.67Å; L178-Y187 HydrophobicContact CD1-CE2 4.18Å; L178-Y187 HydrophobicContact CD1-CG 3.86Å; Y187-C189 WeakPolarHBondContact CD1-SG 3.44Å; Y187-C189 WeakPolarHBondContact CE1-SG 3.28Å; Y187-C189 VanDerWaalsContact CZ-SG 3.58Å; Y187-I210 WeakPolarHBondContact CD1-O 3.43Å; Y187-C211 HydrophobicContact CD1-CB 4.48Å; Y187-N212 PolarHBondContact N-OD1 3.1Å; Y187-N212 PolarHBondContact O-N 3.36Å; Y187-L213 PolarHBondContact O-N 3.29Å
188S98.9Very high98.5Very high3 Ų335.5 Ų35.52%0.02123%0.226CC..EExtended strand (participates in β ladder)trans-101.3114.4179.1175.70000110.2L155 K156 F157 L213L155-S188 PolarHBondContact O-N 3.41Å; K156-S188 WeakPolarHBondContact CA-O 3.47Å; F157-S188 PolarHBondContact N-O 3.15Å; S188-L213 WeakPolarHBondContact CA-O 3.39Å
189C98.9Very high98.4Very high0 Ų038.4 Ų38.40%025%0.245CC..EExtended strand (participates in β ladder)trans-106.1120.3-170.8-59.60000112.1Y171 Y187 W191 C211 L213 W214 R215Y171-C189 HydrophobicContact CD1-CB 3.96Å; Y171-C189 HydrophobicContact CE1-CB 4.03Å; Y187-C189 WeakPolarHBondContact CD1-SG 3.44Å; Y187-C189 WeakPolarHBondContact CE1-SG 3.28Å; Y187-C189 VanDerWaalsContact CZ-SG 3.58Å; C189-W191 PolarHBondContact O-N 2.89Å; C189-C211 HydrophobicContact CB-CB 3.91Å; C189-C211 WeakPolarHBondContact CB-SG 3.33Å; C189-C211 WeakPolarHBondContact SG-CB 3.4Å; C189-C211 CovalentContact SG-SG 2.02Å; C189-C211 PolarHBondContact SG-SG 2.73Å; C189-L213 PolarHBondContact N-O 3.37Å; C189-W214 HydrophobicContact CB-CB 4.35Å; C189-W214 CarbonylContact O-C 3.4Å; C189-W214 WeakPolarHBondContact O-CA 3.36Å; C189-W214 VanDerWaalsContact O-CB 3.32Å; C189-W214 WeakPolarHBondContact O-CB 3.36Å; C189-R215 PolarHBondContact O-N 3.35Å
190S98.8Very high98.3Very high3 Ų338.9 Ų38.92%0.02126%0.255CS..  trans-79-2.9173.1-55.20000114.2F157 D158 P192 A193 Y194F157-S190 PolarHBondContact O-N 2.87Å; D158-S190 WeakPolarHBondContact OD1-CB 3.31Å; D158-S190 PolarHBondContact OD1-OG 3.5Å; S190-P192 VanDerWaalsContact C-N 3.35Å; S190-P192 VanDerWaalsContact O-N 3.1Å; S190-A193 WeakPolarHBondContact O-CB 3.37Å; S190-A193 PolarHBondContact O-N 2.98Å; S190-Y194 WeakPolarHBondContact O-CD2 3.43Å
191W98.8Very high98.2Very high25 Ų2542.1 Ų42.110%0.09525%0.253CS..Hα-helixtrans-44.3-48.4-171.8-168.811.6000114.8E168 Y171 P172 C189 A193 Y194 Q195 L207 I210E168-W191 HydrophobicContact CB-CZ2 4.09Å; E168-W191 HydrophobicContact CG-CZ2 4.32Å; Y171-W191 HydrophobicContact CD1-CB 4Å; Y171-W191 HydrophobicContact CD2-CB 3.4Å; Y171-W191 VanDerWaalsContact CD2-CB 3.4Å; Y171-W191 AromaticContact CD2-CD1 3.74Å; Y171-W191 AromaticContact CD2-CD2 3.67Å; Y171-W191 HydrophobicContact CD2-CD2 3.67Å; Y171-W191 HydrophobicContact CD2-CE3 4.16Å; Y171-W191 AromaticContact CD2-CG 3.3Å; Y171-W191 HydrophobicContact CD2-CG 3.3Å; Y171-W191 HydrophobicContact CE1-CB 3.92Å; Y171-W191 HydrophobicContact CE2-CB 3.29Å; Y171-W191 AromaticContact CE2-CD1 3.73Å; Y171-W191 HydrophobicContact CE2-CD2 4.35Å; Y171-W191 AromaticContact CE2-CG 3.51Å; Y171-W191 HydrophobicContact CE2-CG 3.51Å; Y171-W191 HydrophobicContact CG-CB 3.77Å; Y171-W191 HydrophobicContact CG-CD2 4.07Å; Y171-W191 HydrophobicContact CG-CE3 4.09Å; Y171-W191 AromaticContact CG-CG 3.95Å; Y171-W191 HydrophobicContact CG-CG 3.95Å; Y171-W191 PolarHBondContact OH-N 3.49Å; Y171-W191 VanDerWaalsContact OH-N 3.14Å; P172-W191 HydrophobicContact CG-CZ3 4.5Å; C189-W191 PolarHBondContact O-N 2.89Å; W191-A193 VanDerWaalsContact C-N 3.34Å; W191-A193 PolarHBondContact O-N 3.24Å; W191-Y194 PolarHBondContact O-N 2.87Å; W191-Q195 PolarHBondContact O-N 2.94Å; W191-L207 HydrophobicContact CB-CD2 4.45Å; W191-L207 HydrophobicContact CD2-CD2 4.46Å; W191-L207 HydrophobicContact CE3-CD2 3.7Å; W191-L207 HydrophobicContact CZ3-CD2 4.35Å; W191-I210 HydrophobicContact CE3-CD1 4.22Å; W191-I210 HydrophobicContact CZ3-CD1 3.86Å
192P98.7Very high98.2Very high1 Ų141.2 Ų41.21%0.00625%0.248CC..Hα-helixtrans-64.5-37.4-174.9-23.137.7000113S190 Y194 Q195 G196 G197 V202 L207 W214 R215S190-P192 VanDerWaalsContact C-N 3.35Å; S190-P192 VanDerWaalsContact O-N 3.1Å; P192-Y194 VanDerWaalsContact C-N 3.26Å; P192-Y194 PolarHBondContact O-N 3.23Å; P192-Q195 CarbonylContact O-C 3.49Å; P192-Q195 WeakPolarHBondContact O-CA 3.42Å; P192-Q195 PolarHBondContact O-N 3.35Å; P192-G196 PolarHBondContact O-N 3.19Å; P192-G196 VanDerWaalsContact O-N 3.09Å; P192-G197 WeakPolarHBondContact O-CA 3.47Å; P192-G197 PolarHBondContact O-N 3.07Å; P192-V202 HydrophobicContact CB-CG1 3.9Å; P192-V202 HydrophobicContact CB-CG2 4.12Å; P192-V202 HydrophobicContact CG-CG1 4.22Å; P192-L207 HydrophobicContact CB-CD1 4.39Å; P192-L207 HydrophobicContact CG-CD1 3.41Å; P192-L207 VanDerWaalsContact CG-CD1 3.41Å; P192-L207 HydrophobicContact CG-CD2 4.03Å; P192-L207 HydrophobicContact CG-CG 4.39Å; P192-W214 HydrophobicContact CG-CB 3.87Å; P192-W214 HydrophobicContact CG-CG 4.17Å; P192-R215 WeakPolarHBondContact CD-O 3.31Å
193A98.6Very high98.2Very high34 Ų3442 Ų4228%0.28124%0.236SC..Hα-helixtrans-58.4-39.8178.900000111.6S190 W191 Q195 G196 R215S190-A193 WeakPolarHBondContact O-CB 3.37Å; S190-A193 PolarHBondContact O-N 2.98Å; W191-A193 VanDerWaalsContact C-N 3.34Å; W191-A193 PolarHBondContact O-N 3.24Å; A193-Q195 VanDerWaalsContact C-N 3.25Å; A193-Q195 PolarHBondContact O-N 3.07Å; A193-G196 PolarHBondContact O-N 2.96Å; A193-R215 PolarHBondContact N-O 2.78Å; A193-R215 VanDerWaalsContact N-O 3.11Å
194Y98.4Very high98.2Very high83 Ų8339.7 Ų39.733%0.32523%0.227SC..Hα-helixtrans-74.1-13.8176.7-67.6-84.9000114.1C129 D158 G159 C160 S190 W191 P192C129-Y194 PolarHBondContact SG-OH 3.36Å; D158-Y194 WeakPolarHBondContact OD1-CE2 3.25Å; D158-Y194 VanDerWaalsContact OD1-CZ 3.26Å; D158-Y194 PolarHBondContact OD1-OH 2.84Å; G159-Y194 VanDerWaalsContact N-CE2 3.34Å; G159-Y194 WeakPolarHBondContact O-CD1 3.4Å; G159-Y194 WeakPolarHBondContact O-CE1 2.97Å; C160-Y194 PolarHBondContact SG-OH 2.76Å; S190-Y194 WeakPolarHBondContact O-CD2 3.43Å; W191-Y194 PolarHBondContact O-N 2.87Å; P192-Y194 VanDerWaalsContact C-N 3.26Å; P192-Y194 PolarHBondContact O-N 3.23Å
195Q98.2Very high98.1Very high33 Ų3339.3 Ų39.315%0.15422%0.224CC..THydrogen-bonded Turntrans-107.97.7178.3-62.9-56.2-40.600113.2W191 P192 A193 K201 V202W191-Q195 PolarHBondContact O-N 2.94Å; P192-Q195 CarbonylContact O-C 3.49Å; P192-Q195 WeakPolarHBondContact O-CA 3.42Å; P192-Q195 PolarHBondContact O-N 3.35Å; A193-Q195 VanDerWaalsContact C-N 3.25Å; A193-Q195 PolarHBondContact O-N 3.07Å; Q195-K201 HydrophobicContact CB-CB 4.31Å; Q195-V202 HydrophobicContact CB-CG2 3.78Å
196G96.5Very high98.1Very high50 Ų5041.8 Ų41.852%0.51524%0.235SC..THydrogen-bonded Turntrans858178.300000115P192 A193 L198P192-G196 PolarHBondContact O-N 3.19Å; P192-G196 VanDerWaalsContact O-N 3.09Å; A193-G196 PolarHBondContact O-N 2.96Å; G196-L198 VanDerWaalsContact C-N 3.26Å; G196-L198 PolarHBondContact O-N 2.88Å; G196-L198 VanDerWaalsContact O-N 3.16Å
197G97.7Very high98Very high0 Ų041.9 Ų41.90%024%0.236CC..SBendtrans75-0.7167.800000116.4P192 Y204 N216 W233P192-G197 WeakPolarHBondContact O-CA 3.47Å; P192-G197 PolarHBondContact O-N 3.07Å; G197-Y204 PolarHBondContact O-OH 3.43Å; G197-N216 WeakPolarHBondContact CA-O 3.4Å; G197-W233 WeakPolarHBondContact O-CH2 3.35Å
198L98.5Very high98Very high49 Ų4941.8 Ų41.826%0.25724%0.235SC..SBendtrans-134.2152-172.3-64.4172.5000113.6G196 K201 V202 W233 N237G196-L198 VanDerWaalsContact C-N 3.26Å; G196-L198 PolarHBondContact O-N 2.88Å; G196-L198 VanDerWaalsContact O-N 3.16Å; L198-K201 PolarHBondContact O-N 2.74Å; L198-V202 PolarHBondContact O-N 2.82Å; L198-V202 VanDerWaalsContact O-N 3.11Å; L198-W233 HydrophobicContact CD1-CZ2 4.3Å; L198-W233 HydrophobicContact CD2-CH2 4.21Å; L198-W233 HydrophobicContact CD2-CZ2 4.11Å; L198-W233 HydrophobicContact CG-CH2 4.37Å; L198-W233 HydrophobicContact CG-CZ2 3.87Å; L198-N237 WeakPolarHBondContact CD1-OD1 3.45Å; L198-N237 HydrophobicContact CD2-CB 3.88Å
199P97.6Very high97.9Very high70 Ų7046.1 Ų46.146%0.45526%0.255SS..THydrogen-bonded Turntrans-56.3150.9165.5-23.833.9000112.1V240P199-V240 HydrophobicContact CG-CG1 3.92Å
200P96.6Very high97.9Very high132 Ų13247 Ų4786%0.85726%0.26SS*.THydrogen-bonded Turncis-84.9-6.13.534.3-36.3000114.3V202P200-V202 VanDerWaalsContact C-N 3.31Å; P200-V202 PolarHBondContact O-N 3.16Å
201K96.8Very high97.9Very high153 Ų15346.9 Ų46.967%0.66526%0.259SS*.THydrogen-bonded Turntrans-70.9-28.2-178-67.9-172.4177.3-1750113.1Q195 L198Q195-K201 HydrophobicContact CB-CB 4.31Å; L198-K201 PolarHBondContact O-N 2.74Å
202V98.3Very high97.9Very high9 Ų945.7 Ų45.76%0.05525%0.254CS..  trans-109.3124.6177.9-178.90000110P192 Q195 L198 P200 Y204 L207P192-V202 HydrophobicContact CB-CG1 3.9Å; P192-V202 HydrophobicContact CB-CG2 4.12Å; P192-V202 HydrophobicContact CG-CG1 4.22Å; Q195-V202 HydrophobicContact CB-CG2 3.78Å; L198-V202 PolarHBondContact O-N 2.82Å; L198-V202 VanDerWaalsContact O-N 3.11Å; P200-V202 VanDerWaalsContact C-N 3.31Å; P200-V202 PolarHBondContact O-N 3.16Å; V202-Y204 HydrophobicContact CB-CE2 4.37Å; V202-Y204 HydrophobicContact CG1-CD1 4.37Å; V202-Y204 HydrophobicContact CG1-CD2 4.04Å; V202-Y204 HydrophobicContact CG1-CE1 4.05Å; V202-Y204 HydrophobicContact CG1-CE2 3.72Å; V202-Y204 HydrophobicContact CG1-CG 4.35Å; V202-L207 HydrophobicContact CG1-CD1 3.57Å
203N98.1Very high97.9Very high84 Ų8445.6 Ų45.645%0.44925%0.254SS..  trans-104.897.7172.5-176.3-7.6000110.7T205 Q206 L207N203-T205 PolarHBondContact O-N 2.79Å; N203-T205 WeakPolarHBondContact OD1-CB 3.45Å; N203-T205 PolarHBondContact OD1-N 2.76Å; N203-Q206 HydrophobicContact CB-CB 4.16Å; N203-Q206 PolarHBondContact O-N 2.84Å; N203-Q206 PolarHBondContact OD1-N 3.49Å; N203-L207 PolarHBondContact O-N 3.48Å
204Y98.1Very high97.9Very high20 Ų2044 Ų448%0.07824%0.24CC..Hα-helixtrans-66.2-21.2179.7-76.2-70.9000114.8G197 V202 L207 G208 W214 N216 V240 L241 A244G197-Y204 PolarHBondContact O-OH 3.43Å; V202-Y204 HydrophobicContact CB-CE2 4.37Å; V202-Y204 HydrophobicContact CG1-CD1 4.37Å; V202-Y204 HydrophobicContact CG1-CD2 4.04Å; V202-Y204 HydrophobicContact CG1-CE1 4.05Å; V202-Y204 HydrophobicContact CG1-CE2 3.72Å; V202-Y204 HydrophobicContact CG1-CG 4.35Å; Y204-L207 HydrophobicContact CD1-CD1 3.69Å; Y204-L207 HydrophobicContact CE1-CD1 3.91Å; Y204-L207 HydrophobicContact CG-CD1 4.37Å; Y204-G208 PolarHBondContact O-N 2.88Å; Y204-W214 AromaticContact CD1-CE2 3.81Å; Y204-W214 AromaticContact CD1-CZ2 3.97Å; Y204-W214 HydrophobicContact CD1-CZ2 3.97Å; Y204-W214 AromaticContact CD1-NE1 3.57Å; Y204-W214 AromaticContact CE1-CD1 3.7Å; Y204-W214 AromaticContact CE1-NE1 3.3Å; Y204-W214 VanDerWaalsContact CE1-NE1 3.3Å; Y204-N216 VanDerWaalsContact CE1-ND2 3.33Å; Y204-N216 WeakPolarHBondContact CE1-ND2 3.48Å; Y204-N216 PolarHBondContact OH-ND2 2.87Å; Y204-V240 HydrophobicContact CD2-CG1 3.83Å; Y204-V240 HydrophobicContact CE2-CG1 3.82Å; Y204-L241 HydrophobicContact CE1-CD2 4.24Å; Y204-L241 HydrophobicContact CE2-CD2 3.84Å; Y204-L241 VanDerWaalsContact OH-CD2 3.26Å; Y204-L241 WeakPolarHBondContact OH-CD2 3.43Å; Y204-A244 HydrophobicContact CD1-CB 3.99Å; Y204-A244 HydrophobicContact CG-CB 3.91Å
205T96.9Very high97.9Very high69 Ų6940.4 Ų40.442%0.42323%0.226SC..Hα-helixtrans-67.5-48.7173.1-55.90000109.9T16 N203 L207 G208 E209T16-T205 HydrophobicContact CG2-CG2 4.07Å; N203-T205 PolarHBondContact O-N 2.79Å; N203-T205 WeakPolarHBondContact OD1-CB 3.45Å; N203-T205 PolarHBondContact OD1-N 2.76Å; T205-L207 PolarHBondContact O-N 3.27Å; T205-G208 PolarHBondContact O-N 3.38Å; T205-E209 PolarHBondContact O-N 3.36Å
206Q97.7Very high97.9Very high57 Ų5738.8 Ų38.827%0.26622%0.219SC..Hα-helixtrans-63.1-42.3177.2-175.7-176.221.600111.8N203 G208 E209 I210N203-Q206 HydrophobicContact CB-CB 4.16Å; N203-Q206 PolarHBondContact O-N 2.84Å; N203-Q206 PolarHBondContact OD1-N 3.49Å; Q206-G208 VanDerWaalsContact C-N 3.27Å; Q206-G208 PolarHBondContact O-N 3.32Å; Q206-E209 WeakPolarHBondContact O-CB 3.22Å; Q206-E209 PolarHBondContact O-N 3.03Å; Q206-I210 HydrophobicContact CG-CD1 4.44Å; Q206-I210 WeakPolarHBondContact O-CG1 3.07Å; Q206-I210 PolarHBondContact O-N 3.19Å; Q206-I210 VanDerWaalsContact O-N 3.14Å
207L98Very high98Very high3 Ų340.1 Ų40.12%0.01621%0.209CC..Hα-helixtrans-58.2-43175.2-72.1165.1000111.6W191 P192 V202 N203 Y204 T205 E209 I210 C211 W214W191-L207 HydrophobicContact CB-CD2 4.45Å; W191-L207 HydrophobicContact CD2-CD2 4.46Å; W191-L207 HydrophobicContact CE3-CD2 3.7Å; W191-L207 HydrophobicContact CZ3-CD2 4.35Å; P192-L207 HydrophobicContact CB-CD1 4.39Å; P192-L207 HydrophobicContact CG-CD1 3.41Å; P192-L207 VanDerWaalsContact CG-CD1 3.41Å; P192-L207 HydrophobicContact CG-CD2 4.03Å; P192-L207 HydrophobicContact CG-CG 4.39Å; V202-L207 HydrophobicContact CG1-CD1 3.57Å; N203-L207 PolarHBondContact O-N 3.48Å; Y204-L207 HydrophobicContact CD1-CD1 3.69Å; Y204-L207 HydrophobicContact CE1-CD1 3.91Å; Y204-L207 HydrophobicContact CG-CD1 4.37Å; T205-L207 PolarHBondContact O-N 3.27Å; L207-E209 PolarHBondContact O-N 3.22Å; L207-I210 PolarHBondContact O-N 2.79Å; L207-C211 WeakPolarHBondContact O-CB 3.23Å; L207-C211 PolarHBondContact O-N 3.4Å; L207-W214 HydrophobicContact CB-CD2 4.06Å; L207-W214 HydrophobicContact CB-CE3 3.78Å; L207-W214 HydrophobicContact CB-CH2 4.33Å; L207-W214 HydrophobicContact CB-CZ3 3.91Å; L207-W214 HydrophobicContact CD1-CD2 4.46Å; L207-W214 HydrophobicContact CD1-CG 4.38Å
208G97.4Very high98Very high0 Ų042 Ų420%023%0.228CC..Hα-helixtrans-58.1-32174.700000113.6A18 L19 Y204 T205 Q206A18-G208 CarbonylContact C-O 3.52Å; A18-G208 WeakPolarHBondContact CA-O 3.36Å; L19-G208 PolarHBondContact N-O 3.43Å; Y204-G208 PolarHBondContact O-N 2.88Å; T205-G208 PolarHBondContact O-N 3.38Å; Q206-G208 VanDerWaalsContact C-N 3.27Å; Q206-G208 PolarHBondContact O-N 3.32Å
209E97.3Very high98Very high93 Ų9343.3 Ų43.344%0.43524%0.236SC..Hα-helixtrans-79.8-26.6179-70.2167.6176.400113.3L17 L19 T205 Q206 L207L17-E209 WeakPolarHBondContact O-CG 3.18Å; L19-E209 WeakPolarHBondContact CA-O 3.46Å; L19-E209 WeakPolarHBondContact CB-O 3.3Å; L19-E209 WeakPolarHBondContact CD1-O 3.45Å; T205-E209 PolarHBondContact O-N 3.36Å; Q206-E209 WeakPolarHBondContact O-CB 3.22Å; Q206-E209 PolarHBondContact O-N 3.03Å; L207-E209 PolarHBondContact O-N 3.22Å
210I98.4Very high98Very high19 Ų1940 Ų4010%0.09721%0.214CC..Hα-helixtrans-114.9-20.8-170.672.8178.8000114.5P172 S175 Y187 W191 Q206 L207P172-I210 HydrophobicContact CB-CD1 4.32Å; P172-I210 HydrophobicContact CG-CD1 3.83Å; S175-I210 VanDerWaalsContact CB-O 3.29Å; S175-I210 WeakPolarHBondContact CB-O 3.37Å; S175-I210 PolarHBondContact OG-O 2.86Å; Y187-I210 WeakPolarHBondContact CD1-O 3.43Å; W191-I210 HydrophobicContact CE3-CD1 4.22Å; W191-I210 HydrophobicContact CZ3-CD1 3.86Å; Q206-I210 HydrophobicContact CG-CD1 4.44Å; Q206-I210 WeakPolarHBondContact O-CG1 3.07Å; Q206-I210 PolarHBondContact O-N 3.19Å; Q206-I210 VanDerWaalsContact O-N 3.14Å; L207-I210 PolarHBondContact O-N 2.79Å
211C98.8Very high98.1Very high0 Ų037.8 Ų37.80%019%0.192CC..  trans-125.3148.7-173.7-58.40000111.5Y187 C189 L207 W214Y187-C211 HydrophobicContact CD1-CB 4.48Å; C189-C211 HydrophobicContact CB-CB 3.91Å; C189-C211 WeakPolarHBondContact CB-SG 3.33Å; C189-C211 WeakPolarHBondContact SG-CB 3.4Å; C189-C211 CovalentContact SG-SG 2.02Å; C189-C211 PolarHBondContact SG-SG 2.73Å; L207-C211 WeakPolarHBondContact O-CB 3.23Å; L207-C211 PolarHBondContact O-N 3.4Å; C211-W214 HydrophobicContact CB-CE3 3.95Å; C211-W214 HydrophobicContact CB-CZ3 4.48Å
212N98.9Very high98.2Very high0 Ų032.2 Ų32.20%017%0.17CC..SBendtrans-85.7-26.3172.1-67117.1000113.6N21 M24 G186 Y187 G248 R249 W250N21-N212 PolarHBondContact ND2-ND2 3.06Å; N21-N212 PolarHBondContact ND2-OD1 3.1Å; N21-N212 PolarHBondContact OD1-ND2 3.07Å; M24-N212 HydrophobicContact CB-CB 4.34Å; M24-N212 HydrophobicContact CG-CB 4.33Å; M24-N212 HydrophobicContact SD-CB 3.36Å; M24-N212 WeakPolarHBondContact SD-CB 3.45Å; G186-N212 WeakPolarHBondContact CA-OD1 3.39Å; Y187-N212 PolarHBondContact N-OD1 3.1Å; Y187-N212 PolarHBondContact O-N 3.36Å; N212-G248 VanDerWaalsContact CA-O 3.26Å; N212-G248 WeakPolarHBondContact CA-O 3.4Å; N212-G248 PolarHBondContact ND2-O 3.49Å; N212-R249 CarbonylContact O-C 3.57Å; N212-R249 WeakPolarHBondContact O-CA 3.33Å; N212-W250 PolarHBondContact O-N 3.31Å
213L98.9Very high98.2Very high0 Ų033.8 Ų33.80%018%0.181CC..EExtended strand (participates in β ladder)trans-155.8162.4172.563.2164.1000109.4M24 P28 M154 Y187 S188 C189 W250 D252 P281 F283M24-L213 HydrophobicContact CE-CD2 4Å; M24-L213 HydrophobicContact SD-CD2 3.48Å; M24-L213 WeakPolarHBondContact SD-CD2 3.44Å; P28-L213 HydrophobicContact CG-CD1 4.11Å; P28-L213 HydrophobicContact CG-CD2 4.49Å; M154-L213 HydrophobicContact CE-CD1 4.28Å; M154-L213 HydrophobicContact CE-CD2 4.17Å; Y187-L213 PolarHBondContact O-N 3.29Å; S188-L213 WeakPolarHBondContact CA-O 3.39Å; C189-L213 PolarHBondContact N-O 3.37Å; L213-W250 CarbonylContact C-O 3.4Å; L213-W250 WeakPolarHBondContact CA-O 3.5Å; L213-W250 HydrophobicContact CB-CB 4.05Å; L213-W250 WeakPolarHBondContact CB-O 3.33Å; L213-D252 HydrophobicContact CD1-CB 4.36Å; L213-P281 HydrophobicContact CD1-CB 4.35Å; L213-P281 HydrophobicContact CD1-CG 3.64Å; L213-F283 HydrophobicContact CD1-CE2 3.88Å
214W98.9Very high98.3Very high0 Ų031.5 Ų31.50%017%0.166CC..EExtended strand (participates in β ladder)trans-147.6135.9179.54875.8000113C189 P192 Y204 L207 C211 N216 A244 R249 W250 N251 D252C189-W214 HydrophobicContact CB-CB 4.35Å; C189-W214 CarbonylContact O-C 3.4Å; C189-W214 WeakPolarHBondContact O-CA 3.36Å; C189-W214 VanDerWaalsContact O-CB 3.32Å; C189-W214 WeakPolarHBondContact O-CB 3.36Å; P192-W214 HydrophobicContact CG-CB 3.87Å; P192-W214 HydrophobicContact CG-CG 4.17Å; Y204-W214 AromaticContact CD1-CE2 3.81Å; Y204-W214 AromaticContact CD1-CZ2 3.97Å; Y204-W214 HydrophobicContact CD1-CZ2 3.97Å; Y204-W214 AromaticContact CD1-NE1 3.57Å; Y204-W214 AromaticContact CE1-CD1 3.7Å; Y204-W214 AromaticContact CE1-NE1 3.3Å; Y204-W214 VanDerWaalsContact CE1-NE1 3.3Å; L207-W214 HydrophobicContact CB-CD2 4.06Å; L207-W214 HydrophobicContact CB-CE3 3.78Å; L207-W214 HydrophobicContact CB-CH2 4.33Å; L207-W214 HydrophobicContact CB-CZ3 3.91Å; L207-W214 HydrophobicContact CD1-CD2 4.46Å; L207-W214 HydrophobicContact CD1-CG 4.38Å; C211-W214 HydrophobicContact CB-CE3 3.95Å; C211-W214 HydrophobicContact CB-CZ3 4.48Å; W214-N216 VanDerWaalsContact CD1-ND2 3.29Å; W214-N216 PolarHBondContact NE1-ND2 2.75Å; W214-N216 PolarHBondContact O-N 2.99Å; W214-N216 PolarHBondContact O-OD1 3.27Å; W214-N216 VanDerWaalsContact O-OD1 3.04Å; W214-A244 HydrophobicContact CZ2-CB 4.22Å; W214-R249 HydrophobicContact CH2-CB 3.65Å; W214-R249 HydrophobicContact CH2-CG 4.39Å; W214-R249 HydrophobicContact CZ3-CB 3.74Å; W214-W250 PolarHBondContact N-O 2.94Å; W214-N251 PolarHBondContact NE1-OD1 3.33Å; W214-D252 VanDerWaalsContact O-CB 3.22Å; W214-D252 WeakPolarHBondContact O-CB 3.5Å; W214-D252 PolarHBondContact O-N 3.2Å
215R98.9Very high98.3Very high7 Ų736.5 Ų36.53%0.02619%0.194CC..EExtended strand (participates in β ladder)trans-73.4117.9172.4-75.5-75.4-51.9-67.8-22.4109.1C189 P192 A193 Y217 G218 D219 D252 D254C189-R215 PolarHBondContact O-N 3.35Å; P192-R215 WeakPolarHBondContact CD-O 3.31Å; A193-R215 PolarHBondContact N-O 2.78Å; A193-R215 VanDerWaalsContact N-O 3.11Å; R215-Y217 PolarHBondContact NH2-O 3Å; R215-G218 VanDerWaalsContact NH2-C 3.32Å; R215-G218 PolarHBondContact NH2-O 3.07Å; R215-D219 IonicContact CZ-OD1 3.64Å; R215-D219 IonicContact NH1-OD1 3.37Å; R215-D219 PolarHBondContact NH1-OD1 3.1Å; R215-D219 IonicContact NH2-OD1 3.63Å; R215-D219 PolarHBondContact NH2-OD1 3.38Å; R215-D252 VanDerWaalsContact CD-CG 3.44Å; R215-D252 WeakPolarHBondContact CD-OD2 3.27Å; R215-D252 HydrophobicContact CG-CB 4.32Å; R215-D254 IonicContact CZ-OD1 2.73Å; R215-D254 IonicContact CZ-OD2 3.7Å; R215-D254 VanDerWaalsContact CZ-OD2 3.22Å; R215-D254 IonicContact NE-OD1 2.68Å; R215-D254 IonicContact NE-OD2 3.27Å; R215-D254 IonicContact NH1-OD1 3.42Å; R215-D254 PolarHBondContact NH1-OD1 3.49Å; R215-D254 IonicContact NH1-OD2 3.96Å; R215-D254 PolarHBondContact NH1-OD2 3.37Å; R215-D254 IonicContact NH2-OD2 2.86Å
216N98.8Very high98.4Very high0 Ų034 Ų340%018%0.18CC..  trans-87.1-31-175.6-5582.7000113.4G197 Y204 W214 W233 F234 N251 D252G197-N216 WeakPolarHBondContact CA-O 3.4Å; Y204-N216 VanDerWaalsContact CE1-ND2 3.33Å; Y204-N216 WeakPolarHBondContact CE1-ND2 3.48Å; Y204-N216 PolarHBondContact OH-ND2 2.87Å; W214-N216 VanDerWaalsContact CD1-ND2 3.29Å; W214-N216 PolarHBondContact NE1-ND2 2.75Å; W214-N216 PolarHBondContact O-N 2.99Å; W214-N216 PolarHBondContact O-OD1 3.27Å; W214-N216 VanDerWaalsContact O-OD1 3.04Å; N216-W233 HydrophobicContact CB-CH2 4.01Å; N216-W233 HydrophobicContact CB-CZ3 3.68Å; N216-F234 HydrophobicContact CB-CE2 4.12Å; N216-F234 HydrophobicContact CB-CZ 3.73Å; N216-F234 WeakPolarHBondContact OD1-CZ 3.35Å; N216-N251 PolarHBondContact ND2-OD1 3.37Å; N216-N251 WeakPolarHBondContact OD1-CA 3.36Å; N216-N251 WeakPolarHBondContact OD1-CB 3.42Å; N216-D252 PolarHBondContact OD1-N 3.23Å; N216-D252 VanDerWaalsContact OD1-N 3.11Å
217Y98.5Very high98.4Very high78 Ų7831.3 Ų31.331%0.30617%0.167SC..SBendtrans-139.6-178.6-164-165-125.2000111.7R215 I230 W233R215-Y217 PolarHBondContact NH2-O 3Å; Y217-I230 HydrophobicContact CD1-CG1 4.09Å; Y217-W233 HydrophobicContact CD1-CB 3.95Å; Y217-W233 HydrophobicContact CD1-CD2 4.39Å; Y217-W233 HydrophobicContact CD1-CG 4.05Å; Y217-W233 HydrophobicContact CD2-CB 4.41Å; Y217-W233 AromaticContact CD2-CD1 3.6Å; Y217-W233 AromaticContact CD2-CD2 3.6Å; Y217-W233 HydrophobicContact CD2-CD2 3.6Å; Y217-W233 AromaticContact CD2-CE2 3.56Å; Y217-W233 HydrophobicContact CD2-CE3 4.27Å; Y217-W233 AromaticContact CD2-CG 3.64Å; Y217-W233 HydrophobicContact CD2-CG 3.64Å; Y217-W233 HydrophobicContact CD2-CZ2 4.2Å; Y217-W233 AromaticContact CD2-NE1 3.54Å; Y217-W233 HydrophobicContact CE1-CB 3.83Å; Y217-W233 HydrophobicContact CE1-CG 4.04Å; Y217-W233 HydrophobicContact CE2-CB 4.34Å; Y217-W233 AromaticContact CE2-CD1 3.26Å; Y217-W233 HydrophobicContact CE2-CD2 4.1Å; Y217-W233 AromaticContact CE2-CG 3.67Å; Y217-W233 HydrophobicContact CE2-CG 3.67Å; Y217-W233 AromaticContact CE2-NE1 3.47Å; Y217-W233 HydrophobicContact CG-CB 4.24Å; Y217-W233 AromaticContact CG-CD2 3.78Å; Y217-W233 HydrophobicContact CG-CD2 3.78Å; Y217-W233 HydrophobicContact CG-CE3 4.08Å; Y217-W233 AromaticContact CG-CG 3.85Å; Y217-W233 HydrophobicContact CG-CG 3.85Å; Y217-W233 AromaticContact CZ-CD1 3.63Å; Y217-W233 AromaticContact CZ-CG 3.86Å
218G96Very high98.5Very high40 Ų4032.6 Ų32.641%0.41217%0.174SC..PPolyproline II helixtrans-58.2161.3-178.200000113.7R215R215-G218 VanDerWaalsContact NH2-C 3.32Å; R215-G218 PolarHBondContact NH2-O 3.07Å
219D98.3Very high98.5Very high76 Ų7635.1 Ų35.141%0.40619%0.191SC..PPolyproline II helixtrans-62.5140.8180-75.2-0.8000111.7R215 D254R215-D219 IonicContact CZ-OD1 3.64Å; R215-D219 IonicContact NH1-OD1 3.37Å; R215-D219 PolarHBondContact NH1-OD1 3.1Å; R215-D219 IonicContact NH2-OD1 3.63Å; R215-D219 PolarHBondContact NH2-OD1 3.38Å; D219-D254 WeakPolarHBondContact CA-OD2 3.27Å
220I98.8Very high98.6Very high0 Ų030.8 Ų30.80%017%0.171CC..PPolyproline II helixtrans-72.2145.8168.3-158.3165.4000109.8E35 S226 V227 I230 D254 M255 V257 W275E35-I220 HydrophobicContact CG-CG2 4.11Å; I220-S226 WeakPolarHBondContact CA-OG 3.49Å; I220-V227 HydrophobicContact CD1-CG2 4.11Å; I220-I230 HydrophobicContact CB-CD1 3.59Å; I220-I230 HydrophobicContact CD1-CD1 3.95Å; I220-I230 HydrophobicContact CG1-CD1 3.63Å; I220-D254 HydrophobicContact CB-CB 3.99Å; I220-D254 HydrophobicContact CG2-CB 3.95Å; I220-D254 WeakPolarHBondContact CG2-OD2 3Å; I220-D254 PolarHBondContact N-OD2 3.24Å; I220-M255 VanDerWaalsContact CD1-O 3.3Å; I220-M255 WeakPolarHBondContact CD1-O 3.49Å; I220-M255 HydrophobicContact CG2-CB 4.2Å; I220-M255 HydrophobicContact CG2-CE 4.11Å; I220-V257 HydrophobicContact CD1-CG1 4.3Å; I220-V257 HydrophobicContact CD1-CG2 4.48Å; I220-V257 HydrophobicContact CG1-CG1 4.36Å; I220-V257 HydrophobicContact CG2-CG1 4.11Å; I220-W275 HydrophobicContact CD1-CH2 4.23Å; I220-W275 HydrophobicContact CD1-CZ2 3.91Å
221E98.8Very high98.6Very high85 Ų8530 Ų3040%0.39717%0.167SC..  trans-127.4153.5174.8-62.3-63.4162.200107.3R38 S223 S226R38-E221 IonicContact CZ-OE2 3.57Å; R38-E221 IonicContact NH1-OE1 3.07Å; R38-E221 PolarHBondContact NH1-OE1 3.05Å; R38-E221 IonicContact NH1-OE2 2.74Å; R38-E221 PolarHBondContact NH1-OE2 3.37Å; R38-E221 IonicContact NH2-OE2 2.72Å; R38-E221 PolarHBondContact NH2-OE2 3.45Å; E221-S223 PolarHBondContact O-N 2.82Å; E221-S226 PolarHBondContact N-OG 3.42Å; E221-S226 WeakPolarHBondContact O-CB 3.45Å
222D98.8Very high98.6Very high36 Ų3631.7 Ų31.719%0.19318%0.177CC..SBendtrans-67.369.4176.1-170.617.2000112.9E35 F261 G262E35-D222 VanDerWaalsContact OE1-CB 3.3Å; E35-D222 WeakPolarHBondContact OE1-CB 3.37Å; E35-D222 PolarHBondContact OE1-N 3.17Å; D222-F261 VanDerWaalsContact OD2-CA 3.29Å; D222-F261 WeakPolarHBondContact OD2-CA 3.2Å; D222-F261 VanDerWaalsContact OD2-CB 3.26Å; D222-F261 WeakPolarHBondContact OD2-CB 3.33Å; D222-F261 WeakPolarHBondContact OD2-CD2 3.27Å; D222-F261 PolarHBondContact OD2-N 3.36Å; D222-G262 WeakPolarHBondContact O-CA 3.39Å; D222-G262 WeakPolarHBondContact OD1-CA 3.28Å; D222-G262 PolarHBondContact OD1-N 2.89Å; D222-G262 PolarHBondContact OD2-N 2.82Å
223S98.9Very high98.6Very high42 Ų4233.4 Ų33.429%0.29418%0.183SC..SBendtrans-157.1146.2175.670.90000111.4E221 N225 S226 V227E221-S223 PolarHBondContact O-N 2.82Å; S223-N225 PolarHBondContact O-N 3.38Å; S223-S226 PolarHBondContact O-N 2.86Å; S223-S226 VanDerWaalsContact O-N 3.11Å; S223-S226 WeakPolarHBondContact OG-CB 3.21Å; S223-S226 PolarHBondContact OG-N 3.2Å; S223-V227 PolarHBondContact O-N 3.49Å
224W98.8Very high98.6Very high36 Ų3633.5 Ų33.514%0.13618%0.183CC..Hα-helixtrans-60-32175.1-178.7-126.1000113.5S226 V227 L228 L263 Q267 F343W224-S226 VanDerWaalsContact C-N 3.34Å; W224-S226 PolarHBondContact O-N 2.95Å; W224-V227 HydrophobicContact CE3-CB 3.9Å; W224-V227 HydrophobicContact CE3-CG1 3.93Å; W224-V227 HydrophobicContact CE3-CG2 4.49Å; W224-V227 HydrophobicContact CZ3-CB 4.12Å; W224-V227 HydrophobicContact CZ3-CG1 3.6Å; W224-V227 PolarHBondContact O-N 3.42Å; W224-L228 HydrophobicContact CD2-CD1 4.31Å; W224-L228 HydrophobicContact CD2-CG 4.03Å; W224-L228 HydrophobicContact CG-CD1 4.43Å; W224-L228 HydrophobicContact CH2-CD2 4.06Å; W224-L228 HydrophobicContact CH2-CG 4.26Å; W224-L228 HydrophobicContact CZ2-CD1 4.05Å; W224-L228 HydrophobicContact CZ2-CD2 3.64Å; W224-L228 HydrophobicContact CZ2-CG 3.71Å; W224-L228 VanDerWaalsContact NE1-CD1 3.27Å; W224-L228 WeakPolarHBondContact O-CB 3.42Å; W224-L228 WeakPolarHBondContact O-CG 3.45Å; W224-L228 PolarHBondContact O-N 3.05Å; W224-L263 HydrophobicContact CB-CD2 4.14Å; W224-L263 HydrophobicContact CE3-CD2 4.23Å; W224-Q267 HydrophobicContact CB-CG 4.41Å; W224-Q267 HydrophobicContact CD2-CB 4.06Å; W224-Q267 HydrophobicContact CD2-CG 3.51Å; W224-Q267 HydrophobicContact CE3-CB 3.59Å; W224-Q267 HydrophobicContact CE3-CG 3.6Å; W224-Q267 VanDerWaalsContact CG-CD 3.48Å; W224-Q267 HydrophobicContact CG-CG 3.88Å; W224-Q267 HydrophobicContact CH2-CG 4.41Å; W224-Q267 HydrophobicContact CZ2-CG 4.32Å; W224-Q267 HydrophobicContact CZ3-CB 3.9Å; W224-Q267 HydrophobicContact CZ3-CG 4.07Å; W224-F343 AromaticContact CH2-CE2 3.72Å; W224-F343 HydrophobicContact CH2-CE2 3.72Å; W224-F343 AromaticContact CH2-CZ 3.84Å; W224-F343 HydrophobicContact CH2-CZ 3.84Å; W224-F343 AromaticContact CZ2-CE2 3.71Å; W224-F343 HydrophobicContact CZ2-CE2 3.71Å; W224-F343 AromaticContact CZ2-CZ 3.62Å; W224-F343 HydrophobicContact CZ2-CZ 3.62Å
225N98.8Very high98.6Very high126 Ų12633.7 Ų33.767%0.67418%0.184SC*.Hα-helixtrans-64.6-38.8176.8-73-16.6000112S223 S229S223-N225 PolarHBondContact O-N 3.38Å; N225-S229 VanDerWaalsContact O-CB 3.28Å; N225-S229 WeakPolarHBondContact O-CB 3.47Å; N225-S229 PolarHBondContact O-N 3.22Å
226S98.8Very high98.6Very high17 Ų1737.9 Ų37.912%0.11921%0.207CC..Hα-helixtrans-66.6-48.4176.9-170.70000111.1I220 E221 S223 W224 L228 S229 I230I220-S226 WeakPolarHBondContact CA-OG 3.49Å; E221-S226 PolarHBondContact N-OG 3.42Å; E221-S226 WeakPolarHBondContact O-CB 3.45Å; S223-S226 PolarHBondContact O-N 2.86Å; S223-S226 VanDerWaalsContact O-N 3.11Å; S223-S226 WeakPolarHBondContact OG-CB 3.21Å; S223-S226 PolarHBondContact OG-N 3.2Å; W224-S226 VanDerWaalsContact C-N 3.34Å; W224-S226 PolarHBondContact O-N 2.95Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 2.81Å; S226-S229 WeakPolarHBondContact O-CB 3.37Å; S226-S229 PolarHBondContact O-N 3.27Å; S226-S229 VanDerWaalsContact O-N 3.14Å; S226-I230 WeakPolarHBondContact O-CG1 3.47Å; S226-I230 PolarHBondContact O-N 2.93Å
227V98.9Very high98.6Very high0 Ų039.8 Ų39.80%022%0.217CC..Hα-helixtrans-53.8-47.5174.6176.90000111.5I220 S223 W224 A231 V257 L263 Q271 W275I220-V227 HydrophobicContact CD1-CG2 4.11Å; S223-V227 PolarHBondContact O-N 3.49Å; W224-V227 HydrophobicContact CE3-CB 3.9Å; W224-V227 HydrophobicContact CE3-CG1 3.93Å; W224-V227 HydrophobicContact CE3-CG2 4.49Å; W224-V227 HydrophobicContact CZ3-CB 4.12Å; W224-V227 HydrophobicContact CZ3-CG1 3.6Å; W224-V227 PolarHBondContact O-N 3.42Å; V227-A231 WeakPolarHBondContact O-CB 3.24Å; V227-A231 PolarHBondContact O-N 2.98Å; V227-V257 HydrophobicContact CG2-CG2 4.26Å; V227-L263 HydrophobicContact CG2-CD1 4.09Å; V227-L263 HydrophobicContact CG2-CD2 3.99Å; V227-Q271 HydrophobicContact CG1-CB 4.2Å; V227-Q271 HydrophobicContact CG1-CG 4.17Å; V227-W275 HydrophobicContact CG1-CH2 4.07Å; V227-W275 HydrophobicContact CG1-CZ3 3.89Å
228L98.6Very high98.6Very high29 Ų2937.7 Ų37.715%0.15221%0.21CC..Hα-helixtrans-65-42.7178.4-83.9-177000113W224 S226 I230 A231 D232 F343W224-L228 HydrophobicContact CD2-CD1 4.31Å; W224-L228 HydrophobicContact CD2-CG 4.03Å; W224-L228 HydrophobicContact CG-CD1 4.43Å; W224-L228 HydrophobicContact CH2-CD2 4.06Å; W224-L228 HydrophobicContact CH2-CG 4.26Å; W224-L228 HydrophobicContact CZ2-CD1 4.05Å; W224-L228 HydrophobicContact CZ2-CD2 3.64Å; W224-L228 HydrophobicContact CZ2-CG 3.71Å; W224-L228 VanDerWaalsContact NE1-CD1 3.27Å; W224-L228 WeakPolarHBondContact O-CB 3.42Å; W224-L228 WeakPolarHBondContact O-CG 3.45Å; W224-L228 PolarHBondContact O-N 3.05Å; S226-L228 VanDerWaalsContact C-N 3.31Å; S226-L228 PolarHBondContact O-N 2.81Å; L228-I230 VanDerWaalsContact C-N 3.32Å; L228-I230 PolarHBondContact O-N 3.47Å; L228-A231 PolarHBondContact O-N 2.82Å; L228-D232 VanDerWaalsContact O-CB 3.3Å; L228-D232 WeakPolarHBondContact O-CB 3.3Å; L228-D232 PolarHBondContact O-N 3.48Å; L228-F343 HydrophobicContact CD2-CE1 3.99Å; L228-F343 HydrophobicContact CD2-CZ 3.64Å
229S98.9Very high98.7Very high53 Ų5342.6 Ų42.637%0.37123%0.227SC..Hα-helixtrans-58.8-45.8178.9-177.40000111.2N225 S226 D232 W233N225-S229 VanDerWaalsContact O-CB 3.28Å; N225-S229 WeakPolarHBondContact O-CB 3.47Å; N225-S229 PolarHBondContact O-N 3.22Å; S226-S229 WeakPolarHBondContact O-CB 3.37Å; S226-S229 PolarHBondContact O-N 3.27Å; S226-S229 VanDerWaalsContact O-N 3.14Å; S229-D232 PolarHBondContact O-N 3.26Å; S229-W233 WeakPolarHBondContact O-CB 3.43Å; S229-W233 PolarHBondContact O-N 2.75Å
230I98.9Very high98.7Very high3 Ų341.5 Ų41.52%0.01522%0.223CC..Hα-helixtrans-63.3-52176.4-68.3167.3000110.4Y217 I220 S226 L228 D232 W233 F234 P253 W275Y217-I230 HydrophobicContact CD1-CG1 4.09Å; I220-I230 HydrophobicContact CB-CD1 3.59Å; I220-I230 HydrophobicContact CD1-CD1 3.95Å; I220-I230 HydrophobicContact CG1-CD1 3.63Å; S226-I230 WeakPolarHBondContact O-CG1 3.47Å; S226-I230 PolarHBondContact O-N 2.93Å; L228-I230 VanDerWaalsContact C-N 3.32Å; L228-I230 PolarHBondContact O-N 3.47Å; I230-D232 VanDerWaalsContact C-N 3.3Å; I230-D232 PolarHBondContact O-N 3.42Å; I230-W233 PolarHBondContact O-N 2.92Å; I230-W233 VanDerWaalsContact O-N 3.17Å; I230-F234 HydrophobicContact CG2-CD2 3.95Å; I230-F234 HydrophobicContact CG2-CE2 4.07Å; I230-F234 WeakPolarHBondContact O-CD2 3.18Å; I230-F234 PolarHBondContact O-N 3.19Å; I230-P253 HydrophobicContact CG2-CB 3.66Å; I230-P253 WeakPolarHBondContact CG2-O 3.27Å; I230-W275 HydrophobicContact CB-CH2 4.46Å; I230-W275 HydrophobicContact CG2-CH2 4.05Å; I230-W275 HydrophobicContact CG2-CZ2 4.23Å
231A98.8Very high98.7Very high1 Ų141.5 Ų41.51%0.00822%0.223CC..Hα-helixtrans-57.9-44179.400000111.4V227 L228 F234 F235 L274V227-A231 WeakPolarHBondContact O-CB 3.24Å; V227-A231 PolarHBondContact O-N 2.98Å; L228-A231 PolarHBondContact O-N 2.82Å; A231-F234 PolarHBondContact O-N 2.83Å; A231-F235 HydrophobicContact CB-CD2 4.38Å; A231-F235 HydrophobicContact CB-CE2 4.47Å; A231-F235 WeakPolarHBondContact O-CB 3.27Å; A231-F235 WeakPolarHBondContact O-CD2 3.48Å; A231-F235 PolarHBondContact O-N 2.9Å; A231-L274 HydrophobicContact CB-CD1 4.23Å
232D98.8Very high98.7Very high37 Ų3739 Ų3920%0.19821%0.211CC..Hα-helixtrans-60-48.2175.7-86.3-41.8000112L228 S229 I230 F234 F235 N236 R318 R345L228-D232 VanDerWaalsContact O-CB 3.3Å; L228-D232 WeakPolarHBondContact O-CB 3.3Å; L228-D232 PolarHBondContact O-N 3.48Å; S229-D232 PolarHBondContact O-N 3.26Å; I230-D232 VanDerWaalsContact C-N 3.3Å; I230-D232 PolarHBondContact O-N 3.42Å; D232-F234 PolarHBondContact O-N 3Å; D232-F235 PolarHBondContact O-N 3.07Å; D232-N236 WeakPolarHBondContact O-CB 3.29Å; D232-N236 PolarHBondContact O-N 3.23Å; D232-N236 PolarHBondContact O-ND2 2.84Å; D232-R318 IonicContact OD1-NH1 3.68Å; D232-R345 VanDerWaalsContact CG-NH2 3.34Å; D232-R345 IonicContact OD1-CZ 3.5Å; D232-R345 IonicContact OD1-NH1 2.7Å; D232-R345 PolarHBondContact OD1-NH1 3.12Å; D232-R345 IonicContact OD1-NH2 3.01Å; D232-R345 PolarHBondContact OD1-NH2 2.82Å; D232-R345 IonicContact OD2-CZ 2.63Å; D232-R345 IonicContact OD2-NH1 2.75Å; D232-R345 PolarHBondContact OD2-NH1 2.69Å; D232-R345 IonicContact OD2-NH2 2.66Å
233W98.9Very high98.7Very high35 Ų3541.2 Ų41.213%0.13323%0.228CC..Hα-helixtrans-60.9-45.6179.4-170.495000111.5G197 L198 N216 Y217 S229 I230 N237 L241G197-W233 WeakPolarHBondContact O-CH2 3.35Å; L198-W233 HydrophobicContact CD1-CZ2 4.3Å; L198-W233 HydrophobicContact CD2-CH2 4.21Å; L198-W233 HydrophobicContact CD2-CZ2 4.11Å; L198-W233 HydrophobicContact CG-CH2 4.37Å; L198-W233 HydrophobicContact CG-CZ2 3.87Å; N216-W233 HydrophobicContact CB-CH2 4.01Å; N216-W233 HydrophobicContact CB-CZ3 3.68Å; Y217-W233 HydrophobicContact CD1-CB 3.95Å; Y217-W233 HydrophobicContact CD1-CD2 4.39Å; Y217-W233 HydrophobicContact CD1-CG 4.05Å; Y217-W233 HydrophobicContact CD2-CB 4.41Å; Y217-W233 AromaticContact CD2-CD1 3.6Å; Y217-W233 AromaticContact CD2-CD2 3.6Å; Y217-W233 HydrophobicContact CD2-CD2 3.6Å; Y217-W233 AromaticContact CD2-CE2 3.56Å; Y217-W233 HydrophobicContact CD2-CE3 4.27Å; Y217-W233 AromaticContact CD2-CG 3.64Å; Y217-W233 HydrophobicContact CD2-CG 3.64Å; Y217-W233 HydrophobicContact CD2-CZ2 4.2Å; Y217-W233 AromaticContact CD2-NE1 3.54Å; Y217-W233 HydrophobicContact CE1-CB 3.83Å; Y217-W233 HydrophobicContact CE1-CG 4.04Å; Y217-W233 HydrophobicContact CE2-CB 4.34Å; Y217-W233 AromaticContact CE2-CD1 3.26Å; Y217-W233 HydrophobicContact CE2-CD2 4.1Å; Y217-W233 AromaticContact CE2-CG 3.67Å; Y217-W233 HydrophobicContact CE2-CG 3.67Å; Y217-W233 AromaticContact CE2-NE1 3.47Å; Y217-W233 HydrophobicContact CG-CB 4.24Å; Y217-W233 AromaticContact CG-CD2 3.78Å; Y217-W233 HydrophobicContact CG-CD2 3.78Å; Y217-W233 HydrophobicContact CG-CE3 4.08Å; Y217-W233 AromaticContact CG-CG 3.85Å; Y217-W233 HydrophobicContact CG-CG 3.85Å; Y217-W233 AromaticContact CZ-CD1 3.63Å; Y217-W233 AromaticContact CZ-CG 3.86Å; S229-W233 WeakPolarHBondContact O-CB 3.43Å; S229-W233 PolarHBondContact O-N 2.75Å; I230-W233 PolarHBondContact O-N 2.92Å; I230-W233 VanDerWaalsContact O-N 3.17Å; W233-N237 WeakPolarHBondContact O-CB 3.28Å; W233-N237 PolarHBondContact O-N 3.44Å; W233-N237 VanDerWaalsContact O-N 3.16Å; W233-N237 PolarHBondContact O-ND2 3Å; W233-L241 HydrophobicContact CE3-CD1 4.08Å; W233-L241 HydrophobicContact CH2-CD1 4.28Å; W233-L241 HydrophobicContact CH2-CD2 4.46Å; W233-L241 HydrophobicContact CZ3-CD1 3.51Å; W233-L241 HydrophobicContact CZ3-CD2 4.34Å
234F98.9Very high98.7Very high3 Ų339.8 Ų39.81%0.01322%0.218CC..Hα-helixtrans-62.6-50.3178.8-90.8-109.7000112.3N216 I230 A231 D232 N236 N237 Q238 L241 N251 P253 M278N216-F234 HydrophobicContact CB-CE2 4.12Å; N216-F234 HydrophobicContact CB-CZ 3.73Å; N216-F234 WeakPolarHBondContact OD1-CZ 3.35Å; I230-F234 HydrophobicContact CG2-CD2 3.95Å; I230-F234 HydrophobicContact CG2-CE2 4.07Å; I230-F234 WeakPolarHBondContact O-CD2 3.18Å; I230-F234 PolarHBondContact O-N 3.19Å; A231-F234 PolarHBondContact O-N 2.83Å; D232-F234 PolarHBondContact O-N 3Å; F234-N236 PolarHBondContact O-N 3.4Å; F234-N237 CarbonylContact O-C 3.45Å; F234-N237 PolarHBondContact O-N 2.86Å; F234-Q238 PolarHBondContact O-N 3.36Å; F234-Q238 VanDerWaalsContact O-N 3.07Å; F234-L241 HydrophobicContact CB-CD1 4.45Å; F234-L241 HydrophobicContact CD1-CD1 3.97Å; F234-L241 HydrophobicContact CE1-CD1 4.44Å; F234-L241 HydrophobicContact CG-CD1 4.16Å; F234-N251 HydrophobicContact CE1-CB 3.81Å; F234-P253 HydrophobicContact CD1-CB 4.37Å; F234-P253 HydrophobicContact CD2-CB 4.17Å; F234-P253 HydrophobicContact CE1-CB 3.89Å; F234-P253 HydrophobicContact CE1-CG 4.4Å; F234-P253 HydrophobicContact CE2-CB 3.71Å; F234-P253 VanDerWaalsContact CZ-CA 3.42Å; F234-P253 HydrophobicContact CZ-CB 3.56Å; F234-P253 HydrophobicContact CZ-CG 4.41Å; F234-M278 HydrophobicContact CB-SD 3.73Å; F234-M278 HydrophobicContact CD1-SD 3.76Å; F234-M278 HydrophobicContact CG-SD 3.86Å
235F98.7Very high98.7Very high4 Ų438.6 Ų38.62%0.01822%0.217CC..Hα-helixtrans-76.6-20.7-176.6-68.8-64.3000113.8A231 D232 N237 Q238 L274 I277 M278 R318 F329A231-F235 HydrophobicContact CB-CD2 4.38Å; A231-F235 HydrophobicContact CB-CE2 4.47Å; A231-F235 WeakPolarHBondContact O-CB 3.27Å; A231-F235 WeakPolarHBondContact O-CD2 3.48Å; A231-F235 PolarHBondContact O-N 2.9Å; D232-F235 PolarHBondContact O-N 3.07Å; F235-N237 VanDerWaalsContact C-N 3.35Å; F235-Q238 WeakPolarHBondContact O-CG 3.48Å; F235-L274 HydrophobicContact CE2-CD2 4.11Å; F235-L274 HydrophobicContact CZ-CD2 4.44Å; F235-I277 HydrophobicContact CE1-CG2 4.24Å; F235-I277 HydrophobicContact CZ-CG2 4.13Å; F235-M278 HydrophobicContact CE1-CG 4.08Å; F235-M278 HydrophobicContact CE2-CG 4.16Å; F235-M278 HydrophobicContact CE2-SD 4.08Å; F235-M278 HydrophobicContact CZ-CG 3.56Å; F235-M278 HydrophobicContact CZ-SD 4.09Å; F235-R318 HydrophobicContact CB-CB 4.21Å; F235-R318 HydrophobicContact CD1-CB 4.07Å; F235-R318 HydrophobicContact CG-CB 4.29Å; F235-F329 HydrophobicContact CB-CE1 4.26Å; F235-F329 AromaticContact CD1-CD1 3.79Å; F235-F329 HydrophobicContact CD1-CD1 3.79Å; F235-F329 AromaticContact CD1-CE1 3.77Å; F235-F329 HydrophobicContact CD1-CE1 3.77Å; F235-F329 HydrophobicContact CD2-CD1 4Å; F235-F329 AromaticContact CD2-CE1 3.29Å; F235-F329 HydrophobicContact CD2-CE1 3.29Å; F235-F329 HydrophobicContact CD2-CZ 4.05Å; F235-F329 AromaticContact CE1-CD1 3.51Å; F235-F329 HydrophobicContact CE1-CD1 3.51Å; F235-F329 AromaticContact CE1-CE1 3.84Å; F235-F329 HydrophobicContact CE1-CE1 3.84Å; F235-F329 AromaticContact CE2-CD1 3.75Å; F235-F329 HydrophobicContact CE2-CD1 3.75Å; F235-F329 AromaticContact CE2-CE1 3.39Å; F235-F329 HydrophobicContact CE2-CE1 3.39Å; F235-F329 HydrophobicContact CE2-CZ 4.1Å; F235-F329 HydrophobicContact CG-CD1 4.04Å; F235-F329 AromaticContact CG-CE1 3.51Å; F235-F329 HydrophobicContact CG-CE1 3.51Å; F235-F329 AromaticContact CZ-CD1 3.49Å; F235-F329 HydrophobicContact CZ-CD1 3.49Å; F235-F329 VanDerWaalsContact CZ-CD1 3.49Å; F235-F329 AromaticContact CZ-CE1 3.66Å; F235-F329 HydrophobicContact CZ-CE1 3.66Å; F235-F329 HydrophobicContact CZ-CG 4.38Å
236N98.7Very high98.6Very high94 Ų9432.9 Ų32.950%0.50319%0.187SC..Hα-helixtrans-76-25.1170-67.7-20000112.2D232 F234 R318D232-N236 WeakPolarHBondContact O-CB 3.29Å; D232-N236 PolarHBondContact O-N 3.23Å; D232-N236 PolarHBondContact O-ND2 2.84Å; F234-N236 PolarHBondContact O-N 3.4Å; N236-R318 PolarHBondContact OD1-NH2 3.34Å
237N98.8Very high98.6Very high40 Ų4034.6 Ų34.621%0.21420%0.198CC..SBendtrans-107.117.4179-63.6-68.3000113L198 W233 F234 F235 D239 V240 L241L198-N237 WeakPolarHBondContact CD1-OD1 3.45Å; L198-N237 HydrophobicContact CD2-CB 3.88Å; W233-N237 WeakPolarHBondContact O-CB 3.28Å; W233-N237 PolarHBondContact O-N 3.44Å; W233-N237 VanDerWaalsContact O-N 3.16Å; W233-N237 PolarHBondContact O-ND2 3Å; F234-N237 CarbonylContact O-C 3.45Å; F234-N237 PolarHBondContact O-N 2.86Å; F235-N237 VanDerWaalsContact C-N 3.35Å; N237-D239 VanDerWaalsContact C-N 3.25Å; N237-D239 PolarHBondContact O-N 3.01Å; N237-D239 VanDerWaalsContact O-N 3.14Å; N237-V240 PolarHBondContact O-N 3.16Å; N237-L241 HydrophobicContact CB-CD1 4Å; N237-L241 HydrophobicContact CB-CG 4.3Å; N237-L241 WeakPolarHBondContact O-CG 3.26Å; N237-L241 PolarHBondContact O-N 3.11Å
238Q98.6Very high98.6Very high34 Ų3434.6 Ų34.616%0.15920%0.198CC..Hα-helixtrans-60.1-29.2-170.365-176.6-300114.4F234 F235 V240 L241 Q242 R317 R318F234-Q238 PolarHBondContact O-N 3.36Å; F234-Q238 VanDerWaalsContact O-N 3.07Å; F235-Q238 WeakPolarHBondContact O-CG 3.48Å; Q238-V240 PolarHBondContact O-N 2.89Å; Q238-L241 PolarHBondContact O-N 3.14Å; Q238-Q242 WeakPolarHBondContact O-CB 3.45Å; Q238-Q242 PolarHBondContact O-N 2.91Å; Q238-R317 VanDerWaalsContact OE1-CB 3.31Å; Q238-R318 PolarHBondContact NE2-O 2.99Å
239D98.4Very high98.5Very high143 Ų14335 Ų3577%0.76520%0.198SC*.Hα-helixtrans-66.6-22.7-179.7-63.8-21.3000112.4N237N237-D239 VanDerWaalsContact C-N 3.25Å; N237-D239 PolarHBondContact O-N 3.01Å; N237-D239 VanDerWaalsContact O-N 3.14Å
240V98.4Very high98.5Very high54 Ų5432.5 Ų32.533%0.32718%0.18SC..Hα-helixtrans-91.2-46.8173.2176.20000110.7P199 Y204 N237 Q238P199-V240 HydrophobicContact CG-CG1 3.92Å; Y204-V240 HydrophobicContact CD2-CG1 3.83Å; Y204-V240 HydrophobicContact CE2-CG1 3.82Å; N237-V240 PolarHBondContact O-N 3.16Å; Q238-V240 PolarHBondContact O-N 2.89Å
241L98.8Very high98.5Very high0 Ų032.4 Ų32.40%018%0.179CC..Hα-helixtrans-78.8-42.2-168.8-58.4176.9000112.7Y204 W233 F234 N237 Q238 A244 N251Y204-L241 HydrophobicContact CE1-CD2 4.24Å; Y204-L241 HydrophobicContact CE2-CD2 3.84Å; Y204-L241 VanDerWaalsContact OH-CD2 3.26Å; Y204-L241 WeakPolarHBondContact OH-CD2 3.43Å; W233-L241 HydrophobicContact CE3-CD1 4.08Å; W233-L241 HydrophobicContact CH2-CD1 4.28Å; W233-L241 HydrophobicContact CH2-CD2 4.46Å; W233-L241 HydrophobicContact CZ3-CD1 3.51Å; W233-L241 HydrophobicContact CZ3-CD2 4.34Å; F234-L241 HydrophobicContact CB-CD1 4.45Å; F234-L241 HydrophobicContact CD1-CD1 3.97Å; F234-L241 HydrophobicContact CE1-CD1 4.44Å; F234-L241 HydrophobicContact CG-CD1 4.16Å; N237-L241 HydrophobicContact CB-CD1 4Å; N237-L241 HydrophobicContact CB-CG 4.3Å; N237-L241 WeakPolarHBondContact O-CG 3.26Å; N237-L241 PolarHBondContact O-N 3.11Å; Q238-L241 PolarHBondContact O-N 3.14Å; L241-A244 WeakPolarHBondContact O-CB 3.3Å; L241-A244 PolarHBondContact O-N 3.35Å; L241-N251 PolarHBondContact O-ND2 3.22Å
242Q98.6Very high98.6Very high32 Ų3232.9 Ų32.915%0.1518%0.182CC..G310 helixtrans-57.3-45.8-175.6-169.4-83.6-41.900113.5Q238 A244 Q315 R317Q238-Q242 WeakPolarHBondContact O-CB 3.45Å; Q238-Q242 PolarHBondContact O-N 2.91Å; Q242-A244 VanDerWaalsContact C-N 3.28Å; Q242-A244 PolarHBondContact O-N 3Å; Q242-Q315 HydrophobicContact CG-CB 4.23Å; Q242-Q315 HydrophobicContact CG-CG 4.17Å; Q242-Q315 WeakPolarHBondContact CG-O 3.26Å; Q242-Q315 PolarHBondContact NE2-O 3.25Å; Q242-R317 VanDerWaalsContact OE1-NH2 3.14Å
243P98.3Very high98.6Very high82 Ų8231.2 Ų31.253%0.53217%0.173SC..G310 helixtrans-74.8-14177.229.4-36.3000114.2
244A98.1Very high98.6Very high12 Ų1229.9 Ų29.910%0.09917%0.169CC..G310 helixtrans-76-28178.700000112.7Y204 W214 L241 Q242 R249Y204-A244 HydrophobicContact CD1-CB 3.99Å; Y204-A244 HydrophobicContact CG-CB 3.91Å; W214-A244 HydrophobicContact CZ2-CB 4.22Å; L241-A244 WeakPolarHBondContact O-CB 3.3Å; L241-A244 PolarHBondContact O-N 3.35Å; Q242-A244 VanDerWaalsContact C-N 3.28Å; Q242-A244 PolarHBondContact O-N 3Å; A244-R249 PolarHBondContact O-NE 2.8Å
245A98.4Very high98.6Very high12 Ų1230 Ų3010%0.09917%0.169CC..  trans-82.1148.7-179.900000113R249 W250 Q315A245-R249 CarbonylContact C-O 3.45Å; A245-R249 VanDerWaalsContact CA-O 3.31Å; A245-R249 WeakPolarHBondContact CA-O 3.45Å; A245-W250 HydrophobicContact CB-CE3 4.47Å; A245-Q315 HydrophobicContact CB-CB 3.88Å
246G98.1Very high98.6Very high6 Ų629.8 Ų29.86%0.06217%0.168CC..BIsolated β-bridgetrans173.3-179.8173.600000112.3G248 R249 W250G246-G248 PolarHBondContact O-N 2.91Å; G246-G248 VanDerWaalsContact O-N 3.08Å; G246-R249 PolarHBondContact N-O 3.47Å; G246-R249 CarbonylContact O-C 3.53Å; G246-R249 PolarHBondContact O-N 3.01Å; G246-W250 WeakPolarHBondContact O-CZ2 3.38Å
247P98.5Very high98.6Very high52 Ų5225.3 Ų25.334%0.33814%0.144SC..THydrogen-bonded Turntrans-50.4116.8-179.5-30.837.8000113.6R25R25-P247 WeakPolarHBondContact O-CA 3.49Å; R25-P247 WeakPolarHBondContact O-CB 3.39Å
248G97.8Very high98.6Very high0 Ų023.4 Ų23.40%013%0.134CC..THydrogen-bonded Turntrans88.80.4-178.800000115.4M24 N212 G246M24-G248 WeakPolarHBondContact O-CA 3.34Å; M24-G248 PolarHBondContact O-N 3.14Å; N212-G248 VanDerWaalsContact CA-O 3.26Å; N212-G248 WeakPolarHBondContact CA-O 3.4Å; N212-G248 PolarHBondContact ND2-O 3.49Å; G246-G248 PolarHBondContact O-N 2.91Å; G246-G248 VanDerWaalsContact O-N 3.08Å
249R98.2Very high98.6Very high39 Ų3923 Ų2315%0.14714%0.139CC..BIsolated β-bridgetrans-151.8105.7-177.757.3167.6-170.4-139.4-2.4112.6T16 A18 N212 W214 A244 A245 G246T16-R249 PolarHBondContact O-NH1 3.49Å; T16-R249 PolarHBondContact OG1-NH1 3.48Å; T16-R249 PolarHBondContact OG1-NH2 3.43Å; A18-R249 HydrophobicContact CB-CG 4.22Å; N212-R249 CarbonylContact O-C 3.57Å; N212-R249 WeakPolarHBondContact O-CA 3.33Å; W214-R249 HydrophobicContact CH2-CB 3.65Å; W214-R249 HydrophobicContact CH2-CG 4.39Å; W214-R249 HydrophobicContact CZ3-CB 3.74Å; A244-R249 PolarHBondContact O-NE 2.8Å; A245-R249 CarbonylContact C-O 3.45Å; A245-R249 VanDerWaalsContact CA-O 3.31Å; A245-R249 WeakPolarHBondContact CA-O 3.45Å; G246-R249 PolarHBondContact N-O 3.47Å; G246-R249 CarbonylContact O-C 3.53Å; G246-R249 PolarHBondContact O-N 3.01Å
250W98.9Very high98.6Very high0 Ų017.3 Ų17.30%011%0.108CC..EExtended strand (participates in β ladder)trans-121.6141.6-169.7-52.499.3000113.4M24 R25 T26 P27 N212 L213 W214 A245 G246 A279 G313M24-W250 PolarHBondContact O-NE1 3.46Å; R25-W250 WeakPolarHBondContact O-CZ2 3.43Å; T26-W250 VanDerWaalsContact C-CZ2 3.42Å; T26-W250 PolarHBondContact O-NE1 2.76Å; P27-W250 HydrophobicContact CB-CD2 4.29Å; P27-W250 HydrophobicContact CG-CD2 3.92Å; P27-W250 HydrophobicContact CG-CE3 3.78Å; P27-W250 HydrophobicContact CG-CH2 3.93Å; P27-W250 HydrophobicContact CG-CZ2 4.08Å; P27-W250 HydrophobicContact CG-CZ3 3.79Å; N212-W250 PolarHBondContact O-N 3.31Å; L213-W250 CarbonylContact C-O 3.4Å; L213-W250 WeakPolarHBondContact CA-O 3.5Å; L213-W250 HydrophobicContact CB-CB 4.05Å; L213-W250 WeakPolarHBondContact CB-O 3.33Å; W214-W250 PolarHBondContact N-O 2.94Å; A245-W250 HydrophobicContact CB-CE3 4.47Å; G246-W250 WeakPolarHBondContact O-CZ2 3.38Å; W250-A279 HydrophobicContact CE3-CB 4.15Å; W250-A279 HydrophobicContact CZ3-CB 3.87Å; W250-G313 VanDerWaalsContact CH2-CA 3.49Å; W250-G313 WeakPolarHBondContact CZ3-O 3.21Å
251N98.9Very high98.6Very high1 Ų122 Ų221%0.00513%0.125CC..EExtended strand (participates in β ladder)trans-71.7137.5161.9-63.7-62.4000109W214 N216 F234 L241 P253 P281 Q315W214-N251 PolarHBondContact NE1-OD1 3.33Å; N216-N251 PolarHBondContact ND2-OD1 3.37Å; N216-N251 WeakPolarHBondContact OD1-CA 3.36Å; N216-N251 WeakPolarHBondContact OD1-CB 3.42Å; F234-N251 HydrophobicContact CE1-CB 3.81Å; L241-N251 PolarHBondContact O-ND2 3.22Å; N251-P253 WeakPolarHBondContact O-CD 3.36Å; N251-P281 WeakPolarHBondContact O-CD 3.13Å; N251-Q315 PolarHBondContact ND2-OE1 3.45Å
252D98.9Very high98.5Very high10 Ų1023.4 Ų23.45%0.05314%0.139CC..EExtended strand (participates in β ladder)trans-115.3102.3-178.9-174.86.2000110.2L213 W214 R215 N216 D254 P281L213-D252 HydrophobicContact CD1-CB 4.36Å; W214-D252 VanDerWaalsContact O-CB 3.22Å; W214-D252 WeakPolarHBondContact O-CB 3.5Å; W214-D252 PolarHBondContact O-N 3.2Å; R215-D252 VanDerWaalsContact CD-CG 3.44Å; R215-D252 WeakPolarHBondContact CD-OD2 3.27Å; R215-D252 HydrophobicContact CG-CB 4.32Å; N216-D252 PolarHBondContact OD1-N 3.23Å; N216-D252 VanDerWaalsContact OD1-N 3.11Å; D252-D254 PolarHBondContact O-N 3.11Å; D252-D254 WeakPolarHBondContact OD1-CA 3.26Å; D252-D254 PolarHBondContact OD1-N 3.01Å; D252-P281 HydrophobicContact CB-CG 4.16Å
253P98.9Very high98.6Very high3 Ų322.7 Ų22.72%0.01914%0.136CC..  trans-78.817.2172.632.7-32.4000113.1I230 F234 N251 W275 M278 A280I230-P253 HydrophobicContact CG2-CB 3.66Å; I230-P253 WeakPolarHBondContact CG2-O 3.27Å; F234-P253 HydrophobicContact CD1-CB 4.37Å; F234-P253 HydrophobicContact CD2-CB 4.17Å; F234-P253 HydrophobicContact CE1-CB 3.89Å; F234-P253 HydrophobicContact CE1-CG 4.4Å; F234-P253 HydrophobicContact CE2-CB 3.71Å; F234-P253 VanDerWaalsContact CZ-CA 3.42Å; F234-P253 HydrophobicContact CZ-CB 3.56Å; F234-P253 HydrophobicContact CZ-CG 4.41Å; N251-P253 WeakPolarHBondContact O-CD 3.36Å; P253-W275 HydrophobicContact CB-CZ2 4.03Å; P253-W275 HydrophobicContact CG-CD2 4.31Å; P253-W275 HydrophobicContact CG-CG 4.36Å; P253-W275 HydrophobicContact CG-CZ2 4.29Å; P253-W275 WeakPolarHBondContact O-CZ2 3.44Å; P253-M278 HydrophobicContact CB-CE 4Å; P253-M278 HydrophobicContact CB-SD 4.39Å; P253-M278 HydrophobicContact CG-CE 3.87Å; P253-M278 HydrophobicContact CG-SD 4.42Å; P253-A280 HydrophobicContact CG-CB 3.44Å; P253-A280 VanDerWaalsContact CG-CB 3.44Å
254D98.9Very high98.6Very high7 Ų721.2 Ų21.24%0.03713%0.128CC..  trans74.9179.1-179.2-147.48.8000114.3R215 D219 I220 D252 W275R215-D254 IonicContact CZ-OD1 2.73Å; R215-D254 IonicContact CZ-OD2 3.7Å; R215-D254 VanDerWaalsContact CZ-OD2 3.22Å; R215-D254 IonicContact NE-OD1 2.68Å; R215-D254 IonicContact NE-OD2 3.27Å; R215-D254 IonicContact NH1-OD1 3.42Å; R215-D254 PolarHBondContact NH1-OD1 3.49Å; R215-D254 IonicContact NH1-OD2 3.96Å; R215-D254 PolarHBondContact NH1-OD2 3.37Å; R215-D254 IonicContact NH2-OD2 2.86Å; D219-D254 WeakPolarHBondContact CA-OD2 3.27Å; I220-D254 HydrophobicContact CB-CB 3.99Å; I220-D254 HydrophobicContact CG2-CB 3.95Å; I220-D254 WeakPolarHBondContact CG2-OD2 3Å; I220-D254 PolarHBondContact N-OD2 3.24Å; D252-D254 PolarHBondContact O-N 3.11Å; D252-D254 WeakPolarHBondContact OD1-CA 3.26Å; D252-D254 PolarHBondContact OD1-N 3.01Å; D254-W275 PolarHBondContact O-NE1 3.35Å
255M98.9Very high98.6Very high4 Ų424.3 Ų24.32%0.0214%0.141CC..  trans-59.5159.1-169.1-62.6160.6-78.300115.1L32 W34 E35 I220 Q271 F283 S285L32-M255 HydrophobicContact CB-CG 4.4Å; L32-M255 HydrophobicContact CB-SD 4.31Å; L32-M255 HydrophobicContact CD2-CE 4.42Å; L32-M255 HydrophobicContact CD2-CG 4.18Å; L32-M255 HydrophobicContact CD2-SD 3.29Å; L32-M255 WeakPolarHBondContact CD2-SD 3.48Å; L32-M255 HydrophobicContact CG-SD 4.31Å; W34-M255 HydrophobicContact CB-CE 4.03Å; W34-M255 HydrophobicContact CB-SD 4Å; W34-M255 HydrophobicContact CG-CE 4.34Å; E35-M255 HydrophobicContact CB-CE 3.73Å; E35-M255 HydrophobicContact CB-SD 3.81Å; E35-M255 HydrophobicContact CG-CE 4.41Å; I220-M255 VanDerWaalsContact CD1-O 3.3Å; I220-M255 WeakPolarHBondContact CD1-O 3.49Å; I220-M255 HydrophobicContact CG2-CB 4.2Å; I220-M255 HydrophobicContact CG2-CE 4.11Å; M255-Q271 PolarHBondContact O-NE2 3.35Å; M255-Q271 VanDerWaalsContact O-NE2 3.12Å; M255-F283 CarbonylContact C-O 3.14Å; M255-F283 WeakPolarHBondContact CA-O 3.33Å; M255-F283 HydrophobicContact CG-CB 4.49Å; M255-S285 VanDerWaalsContact SD-CB 3.56Å
256L98.9Very high98.6Very high0 Ų025.5 Ų25.50%015%0.146CC..BIsolated β-bridgetrans-82.2127164.1-60.8172.3000109.6Q271 M272 W275 L282 F283 S285 L299L256-Q271 HydrophobicContact CD2-CG 3.98Å; L256-M272 HydrophobicContact CD1-SD 4.3Å; L256-W275 HydrophobicContact CD2-CB 4.07Å; L256-W275 HydrophobicContact CD2-CD2 4.27Å; L256-W275 HydrophobicContact CD2-CG 3.73Å; L256-L282 HydrophobicContact CD1-CB 3.96Å; L256-L282 HydrophobicContact CD1-CD2 3.98Å; L256-F283 PolarHBondContact N-O 2.89Å; L256-S285 PolarHBondContact O-N 3.33Å; L256-L299 HydrophobicContact CB-CD2 4.43Å; L256-L299 HydrophobicContact CD1-CD2 3.63Å
257V98.9Very high98.7Very high0 Ų026.7 Ų26.70%015%0.15CC..  trans-104.617.9176.6-58.30000111.5E35 I220 V227 G259 D260 L263E35-V257 HydrophobicContact CB-CG1 4.33Å; E35-V257 HydrophobicContact CG-CG1 3.49Å; E35-V257 VanDerWaalsContact CG-CG1 3.49Å; I220-V257 HydrophobicContact CD1-CG1 4.3Å; I220-V257 HydrophobicContact CD1-CG2 4.48Å; I220-V257 HydrophobicContact CG1-CG1 4.36Å; I220-V257 HydrophobicContact CG2-CG1 4.11Å; V227-V257 HydrophobicContact CG2-CG2 4.26Å; V257-G259 PolarHBondContact O-N 3.33Å; V257-D260 VanDerWaalsContact C-OD2 3.27Å; V257-D260 VanDerWaalsContact CA-OD2 3.32Å; V257-D260 WeakPolarHBondContact CA-OD2 3.26Å; V257-D260 PolarHBondContact O-N 3.42Å; V257-L263 HydrophobicContact CG2-CD1 3.61Å; V257-L263 HydrophobicContact CG2-CG 3.9Å
258V98.8Very high98.7Very high0 Ų024.2 Ų24.20%013%0.134CC..THydrogen-bonded Turntrans-67.8124.5174.9176.50000108.6Q271 N286 A295 I298 L299V258-Q271 HydrophobicContact CG2-CB 4.37Å; V258-N286 PolarHBondContact O-ND2 3.23Å; V258-A295 HydrophobicContact CG1-CB 3.98Å; V258-I298 HydrophobicContact CG1-CB 4.4Å; V258-I298 HydrophobicContact CG1-CG2 4.27Å; V258-L299 HydrophobicContact CB-CD1 4.01Å; V258-L299 HydrophobicContact CB-CD2 3.97Å; V258-L299 HydrophobicContact CB-CG 4.01Å; V258-L299 HydrophobicContact CG1-CD1 3.9Å; V258-L299 HydrophobicContact CG1-CD2 4.26Å; V258-L299 HydrophobicContact CG1-CG 3.8Å; V258-L299 HydrophobicContact CG2-CD2 4.38Å
259G98.1Very high98.7Very high25 Ų2528.2 Ų28.226%0.25815%0.149SC..THydrogen-bonded Turntrans102.5-3.4-179.900000114.4V257 A295V257-G259 PolarHBondContact O-N 3.33Å; G259-A295 VanDerWaalsContact CA-CB 3.49Å
260D98.5Very high98.8Very high24 Ų2426.3 Ų26.313%0.12814%0.142CC..SBendtrans-89.6-138.3172.7-53.9-55.9000110.6R36 V257 N286R36-D260 VanDerWaalsContact CD-OD1 3.28Å; R36-D260 WeakPolarHBondContact CD-OD1 3.44Å; R36-D260 IonicContact NE-OD1 2.69Å; V257-D260 VanDerWaalsContact C-OD2 3.27Å; V257-D260 VanDerWaalsContact CA-OD2 3.32Å; V257-D260 WeakPolarHBondContact CA-OD2 3.26Å; V257-D260 PolarHBondContact O-N 3.42Å; D260-N286 VanDerWaalsContact OD1-CA 3.27Å; D260-N286 WeakPolarHBondContact OD1-CA 3.49Å; D260-N286 VanDerWaalsContact OD1-CB 3.26Å; D260-N286 WeakPolarHBondContact OD1-CB 3.21Å
261F98.5Very high98.8Very high153 Ų15326.3 Ų26.367%0.67114%0.142SC*.SBendtrans-116.2-27.7-163.2-47.5-78000114.4D222D222-F261 VanDerWaalsContact OD2-CA 3.29Å; D222-F261 WeakPolarHBondContact OD2-CA 3.2Å; D222-F261 VanDerWaalsContact OD2-CB 3.26Å; D222-F261 WeakPolarHBondContact OD2-CB 3.33Å; D222-F261 WeakPolarHBondContact OD2-CD2 3.27Å; D222-F261 PolarHBondContact OD2-N 3.36Å
262G98.4Very high98.8Very high30 Ų3026.3 Ų26.331%0.30914%0.142SC..SBendtrans-93.8-10.5-166.700000115.5D222D222-G262 WeakPolarHBondContact O-CA 3.39Å; D222-G262 WeakPolarHBondContact OD1-CA 3.28Å; D222-G262 PolarHBondContact OD1-N 2.89Å; D222-G262 PolarHBondContact OD2-N 2.82Å
263L98.8Very high98.8Very high16 Ų1625.8 Ų25.88%0.08414%0.139CC..  trans-106.9131.9178.5-58-164.7000112.9W224 V227 V257 Q267 Q271W224-L263 HydrophobicContact CB-CD2 4.14Å; W224-L263 HydrophobicContact CE3-CD2 4.23Å; V227-L263 HydrophobicContact CG2-CD1 4.09Å; V227-L263 HydrophobicContact CG2-CD2 3.99Å; V257-L263 HydrophobicContact CG2-CD1 3.61Å; V257-L263 HydrophobicContact CG2-CG 3.9Å; L263-Q267 HydrophobicContact CB-CB 4.09Å; L263-Q267 HydrophobicContact CD2-CB 4.26Å; L263-Q271 HydrophobicContact CD1-CB 4.33Å
264S98.8Very high98.8Very high52 Ų5225.7 Ų25.736%0.36414%0.138SC..  trans-66.7169.4162.982.40000111.2D266 Q267 S268S264-D266 VanDerWaalsContact C-N 3.32Å; S264-D266 PolarHBondContact O-N 3.07Å; S264-D266 PolarHBondContact OG-N 2.8Å; S264-Q267 PolarHBondContact O-N 2.98Å; S264-Q267 WeakPolarHBondContact OG-CG 3.4Å; S264-Q267 PolarHBondContact OG-N 2.74Å; S264-S268 WeakPolarHBondContact O-CB 3.45Å; S264-S268 PolarHBondContact O-N 3.49Å; S264-S268 PolarHBondContact O-OG 2.87Å
265M98.6Very high98.8Very high76 Ų7625.3 Ų25.337%0.37414%0.137SC..Hα-helixtrans-66.3-33.4177.4-67.7-53.292.300113.3S268 R269 I298M265-S268 PolarHBondContact O-N 2.96Å; M265-R269 WeakPolarHBondContact O-CG 3.34Å; M265-R269 PolarHBondContact O-N 3.16Å; M265-I298 HydrophobicContact SD-CD1 4.38Å
266D98.8Very high98.8Very high37 Ų3725.1 Ų25.120%0.19814%0.136CC..Hα-helixtrans-69.8-38.9175.1-77.5-28.1000111S264 R269 S270 N392 S394S264-D266 VanDerWaalsContact C-N 3.32Å; S264-D266 PolarHBondContact O-N 3.07Å; S264-D266 PolarHBondContact OG-N 2.8Å; D266-R269 PolarHBondContact O-N 3.09Å; D266-R269 IonicContact OD1-NH1 3.49Å; D266-R269 PolarHBondContact OD1-NH1 2.89Å; D266-S270 WeakPolarHBondContact O-CB 3.42Å; D266-S270 PolarHBondContact O-N 2.72Å; D266-S270 PolarHBondContact O-OG 3.09Å; D266-N392 VanDerWaalsContact OD2-CB 3.28Å; D266-N392 WeakPolarHBondContact OD2-CB 3.01Å; D266-N392 PolarHBondContact OD2-ND2 2.82Å; D266-S394 CarbonylContact C-O 3.31Å
267Q98.9Very high98.8Very high31 Ų3125.1 Ų25.115%0.14514%0.136CC..Hα-helixtrans-67.4-37174.5-68.5166-8.500112.3W224 L263 S264 S270 Q271 S394W224-Q267 HydrophobicContact CB-CG 4.41Å; W224-Q267 HydrophobicContact CD2-CB 4.06Å; W224-Q267 HydrophobicContact CD2-CG 3.51Å; W224-Q267 HydrophobicContact CE3-CB 3.59Å; W224-Q267 HydrophobicContact CE3-CG 3.6Å; W224-Q267 VanDerWaalsContact CG-CD 3.48Å; W224-Q267 HydrophobicContact CG-CG 3.88Å; W224-Q267 HydrophobicContact CH2-CG 4.41Å; W224-Q267 HydrophobicContact CZ2-CG 4.32Å; W224-Q267 HydrophobicContact CZ3-CB 3.9Å; W224-Q267 HydrophobicContact CZ3-CG 4.07Å; L263-Q267 HydrophobicContact CB-CB 4.09Å; L263-Q267 HydrophobicContact CD2-CB 4.26Å; S264-Q267 PolarHBondContact O-N 2.98Å; S264-Q267 WeakPolarHBondContact OG-CG 3.4Å; S264-Q267 PolarHBondContact OG-N 2.74Å; Q267-S270 WeakPolarHBondContact O-CB 3.23Å; Q267-S270 PolarHBondContact O-N 2.63Å; Q267-Q271 PolarHBondContact O-N 3.42Å; Q267-S394 WeakPolarHBondContact CG-OG 3.14Å; Q267-S394 PolarHBondContact NE2-OG 2.82Å
268S98.9Very high98.8Very high1 Ų125.2 Ų25.21%0.00714%0.136CC..Hα-helixtrans-62.8-45175.1-64.20000111.8S264 M265 S270 Q271 M272S264-S268 WeakPolarHBondContact O-CB 3.45Å; S264-S268 PolarHBondContact O-N 3.49Å; S264-S268 PolarHBondContact O-OG 2.87Å; M265-S268 PolarHBondContact O-N 2.96Å; S268-S270 VanDerWaalsContact C-N 3.31Å; S268-S270 PolarHBondContact O-N 2.97Å; S268-Q271 PolarHBondContact O-N 2.89Å; S268-M272 PolarHBondContact O-N 3.24Å; S268-M272 VanDerWaalsContact O-N 3.12Å
269R98.9Very high98.8Very high83 Ų8325.2 Ų25.231%0.31314%0.136SC..Hα-helixtrans-62.1-40.5172.1-71.2177.3-170.2118.61.8111.4M265 D266 M272 A273 I298 F373 V396M265-R269 WeakPolarHBondContact O-CG 3.34Å; M265-R269 PolarHBondContact O-N 3.16Å; D266-R269 PolarHBondContact O-N 3.09Å; D266-R269 IonicContact OD1-NH1 3.49Å; D266-R269 PolarHBondContact OD1-NH1 2.89Å; R269-M272 PolarHBondContact O-N 2.97Å; R269-A273 WeakPolarHBondContact O-CB 3.19Å; R269-A273 PolarHBondContact O-N 3.39Å; R269-I298 HydrophobicContact CG-CD1 3.74Å; R269-I298 HydrophobicContact CG-CG1 3.9Å; R269-F373 HydrophobicContact CB-CD2 4.13Å; R269-F373 HydrophobicContact CB-CE1 4.44Å; R269-F373 HydrophobicContact CB-CE2 3.91Å; R269-F373 HydrophobicContact CB-CG 4.48Å; R269-F373 HydrophobicContact CB-CZ 4.08Å; R269-F373 HydrophobicContact CG-CD1 4.12Å; R269-F373 HydrophobicContact CG-CD2 4.3Å; R269-F373 HydrophobicContact CG-CE1 4.23Å; R269-F373 HydrophobicContact CG-CE2 4.4Å; R269-F373 HydrophobicContact CG-CG 4.16Å; R269-F373 HydrophobicContact CG-CZ 4.37Å; R269-V396 HydrophobicContact CB-CG2 3.98Å
270S98.9Very high98.8Very high0 Ų024 Ų240%012%0.124CC..Hα-helixtrans-60.6-45.8176.6-630000111.9D266 Q267 S268 A273 L274 S394 G395D266-S270 WeakPolarHBondContact O-CB 3.42Å; D266-S270 PolarHBondContact O-N 2.72Å; D266-S270 PolarHBondContact O-OG 3.09Å; Q267-S270 WeakPolarHBondContact O-CB 3.23Å; Q267-S270 PolarHBondContact O-N 2.63Å; S268-S270 VanDerWaalsContact C-N 3.31Å; S268-S270 PolarHBondContact O-N 2.97Å; S270-A273 PolarHBondContact O-N 3.48Å; S270-L274 WeakPolarHBondContact O-CB 3.39Å; S270-L274 VanDerWaalsContact O-CG 3.23Å; S270-L274 WeakPolarHBondContact O-CG 3.46Å; S270-L274 PolarHBondContact O-N 3.26Å; S270-S394 PolarHBondContact OG-O 2.69Å; S270-G395 VanDerWaalsContact OG-C 3.32Å; S270-G395 VanDerWaalsContact OG-CA 3.31Å; S270-G395 WeakPolarHBondContact OG-CA 3.41Å
271Q98.9Very high98.9Very high0 Ų022.9 Ų22.90%012%0.118CC..Hα-helixtrans-59.9-52.6176.5-169.1-176.22500110.9V227 M255 L256 V258 L263 Q267 S268 A273 L274 W275V227-Q271 HydrophobicContact CG1-CB 4.2Å; V227-Q271 HydrophobicContact CG1-CG 4.17Å; M255-Q271 PolarHBondContact O-NE2 3.35Å; M255-Q271 VanDerWaalsContact O-NE2 3.12Å; L256-Q271 HydrophobicContact CD2-CG 3.98Å; V258-Q271 HydrophobicContact CG2-CB 4.37Å; L263-Q271 HydrophobicContact CD1-CB 4.33Å; Q267-Q271 PolarHBondContact O-N 3.42Å; S268-Q271 PolarHBondContact O-N 2.89Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 3.3Å; Q271-L274 PolarHBondContact O-N 3.09Å; Q271-W275 HydrophobicContact CB-CE3 4.47Å; Q271-W275 HydrophobicContact CG-CD2 3.89Å; Q271-W275 HydrophobicContact CG-CE3 3.58Å; Q271-W275 HydrophobicContact CG-CH2 4.06Å; Q271-W275 HydrophobicContact CG-CZ2 4.31Å; Q271-W275 HydrophobicContact CG-CZ3 3.68Å; Q271-W275 WeakPolarHBondContact O-CB 3.1Å; Q271-W275 PolarHBondContact O-N 3.39Å
272M98.9Very high98.9Very high0 Ų015.6 Ų15.60%09%0.086CC..Hα-helixtrans-56.8-44.1-179.9-175.562179.100112.1L256 S268 R269 A276 L282 I298 L299 A304 I305 F373L256-M272 HydrophobicContact CD1-SD 4.3Å; S268-M272 PolarHBondContact O-N 3.24Å; S268-M272 VanDerWaalsContact O-N 3.12Å; R269-M272 PolarHBondContact O-N 2.97Å; M272-A276 VanDerWaalsContact O-CB 3.3Å; M272-A276 WeakPolarHBondContact O-CB 3.45Å; M272-A276 PolarHBondContact O-N 3.47Å; M272-L282 HydrophobicContact CE-CD1 3.99Å; M272-L282 HydrophobicContact SD-CD2 4.42Å; M272-I298 HydrophobicContact CB-CG2 3.71Å; M272-I298 HydrophobicContact CG-CG2 4.02Å; M272-L299 HydrophobicContact SD-CD2 4.34Å; M272-A304 HydrophobicContact CE-CB 3.91Å; M272-A304 HydrophobicContact CG-CB 4.34Å; M272-I305 HydrophobicContact CE-CG1 4.08Å; M272-F373 HydrophobicContact CB-CZ 4.3Å; M272-F373 HydrophobicContact CG-CZ 4.38Å
273A99Very high98.9Very high0 Ų014.4 Ų14.40%07%0.072CC..Hα-helixtrans-65.8-45.917900000113R269 S270 Q271 A276 I277 V341 F373 V396 M398R269-A273 WeakPolarHBondContact O-CB 3.19Å; R269-A273 PolarHBondContact O-N 3.39Å; S270-A273 PolarHBondContact O-N 3.48Å; Q271-A273 VanDerWaalsContact C-N 3.31Å; Q271-A273 PolarHBondContact O-N 3.3Å; A273-A276 PolarHBondContact O-N 3.45Å; A273-I277 WeakPolarHBondContact O-CG1 3.34Å; A273-I277 PolarHBondContact O-N 2.93Å; A273-V341 HydrophobicContact CB-CG1 4.25Å; A273-V341 HydrophobicContact CB-CG2 3.96Å; A273-F373 HydrophobicContact CB-CE2 3.99Å; A273-F373 HydrophobicContact CB-CZ 4.33Å; A273-V396 HydrophobicContact CB-CG1 4.43Å; A273-V396 HydrophobicContact CB-CG2 3.95Å; A273-M398 HydrophobicContact CB-CB 4.44Å; A273-M398 HydrophobicContact CB-SD 3.72Å
274L98.9Very high98.9Very high0 Ų013.7 Ų13.70%07%0.068CC..Hα-helixtrans-68.8-38.2-178.5-66.4173.9000111.3A231 F235 S270 Q271 I277 M278 F329 V341A231-L274 HydrophobicContact CB-CD1 4.23Å; F235-L274 HydrophobicContact CE2-CD2 4.11Å; F235-L274 HydrophobicContact CZ-CD2 4.44Å; S270-L274 WeakPolarHBondContact O-CB 3.39Å; S270-L274 VanDerWaalsContact O-CG 3.23Å; S270-L274 WeakPolarHBondContact O-CG 3.46Å; S270-L274 PolarHBondContact O-N 3.26Å; Q271-L274 PolarHBondContact O-N 3.09Å; L274-I277 PolarHBondContact O-N 3.44Å; L274-M278 HydrophobicContact CB-CE 4.49Å; L274-M278 WeakPolarHBondContact O-CB 3.39Å; L274-M278 WeakPolarHBondContact O-CG 3.26Å; L274-M278 PolarHBondContact O-N 2.82Å; L274-F329 HydrophobicContact CD2-CD1 4.37Å; L274-F329 HydrophobicContact CD2-CD2 3.63Å; L274-F329 HydrophobicContact CD2-CE1 4.29Å; L274-F329 HydrophobicContact CD2-CE2 3.52Å; L274-F329 HydrophobicContact CD2-CG 4.06Å; L274-F329 HydrophobicContact CD2-CZ 3.87Å; L274-V341 HydrophobicContact CD2-CG1 4.37Å
275W98.9Very high98.9Very high0 Ų011.2 Ų11.20%05%0.051CC..Hα-helixtrans-65.4-39.7173.3-90.5-121.9000111.5I220 V227 I230 P253 D254 L256 Q271 M278 A279 A280 L282I220-W275 HydrophobicContact CD1-CH2 4.23Å; I220-W275 HydrophobicContact CD1-CZ2 3.91Å; V227-W275 HydrophobicContact CG1-CH2 4.07Å; V227-W275 HydrophobicContact CG1-CZ3 3.89Å; I230-W275 HydrophobicContact CB-CH2 4.46Å; I230-W275 HydrophobicContact CG2-CH2 4.05Å; I230-W275 HydrophobicContact CG2-CZ2 4.23Å; P253-W275 HydrophobicContact CB-CZ2 4.03Å; P253-W275 HydrophobicContact CG-CD2 4.31Å; P253-W275 HydrophobicContact CG-CG 4.36Å; P253-W275 HydrophobicContact CG-CZ2 4.29Å; P253-W275 WeakPolarHBondContact O-CZ2 3.44Å; D254-W275 PolarHBondContact O-NE1 3.35Å; L256-W275 HydrophobicContact CD2-CB 4.07Å; L256-W275 HydrophobicContact CD2-CD2 4.27Å; L256-W275 HydrophobicContact CD2-CG 3.73Å; Q271-W275 HydrophobicContact CB-CE3 4.47Å; Q271-W275 HydrophobicContact CG-CD2 3.89Å; Q271-W275 HydrophobicContact CG-CE3 3.58Å; Q271-W275 HydrophobicContact CG-CH2 4.06Å; Q271-W275 HydrophobicContact CG-CZ2 4.31Å; Q271-W275 HydrophobicContact CG-CZ3 3.68Å; Q271-W275 WeakPolarHBondContact O-CB 3.1Å; Q271-W275 PolarHBondContact O-N 3.39Å; W275-M278 HydrophobicContact CD2-CE 3.82Å; W275-M278 HydrophobicContact CE3-CE 3.56Å; W275-M278 HydrophobicContact CG-CE 4.36Å; W275-M278 HydrophobicContact CH2-CE 4.46Å; W275-M278 HydrophobicContact CZ3-CE 3.91Å; W275-M278 PolarHBondContact O-N 3.02Å; W275-A279 PolarHBondContact O-N 2.87Å; W275-A280 HydrophobicContact CB-CB 3.99Å; W275-A280 HydrophobicContact CG-CB 3.93Å; W275-A280 WeakPolarHBondContact O-CB 3.28Å; W275-A280 PolarHBondContact O-N 3.37Å; W275-L282 HydrophobicContact CB-CD2 4.13Å
276A98.9Very high98.9Very high0 Ų07.6 Ų7.60%03%0.033CC..Hα-helixtrans-62.5-41.6172.700000112.1M272 A273 M278 A279 I307 N308 R331 M398M272-A276 VanDerWaalsContact O-CB 3.3Å; M272-A276 WeakPolarHBondContact O-CB 3.45Å; M272-A276 PolarHBondContact O-N 3.47Å; A273-A276 PolarHBondContact O-N 3.45Å; A276-M278 VanDerWaalsContact C-N 3.35Å; A276-A279 PolarHBondContact O-N 3.21Å; A276-I307 HydrophobicContact CB-CG2 4.31Å; A276-N308 HydrophobicContact CB-CB 4.14Å; A276-R331 WeakPolarHBondContact O-CD 3.49Å; A276-R331 PolarHBondContact O-NH1 2.94Å; A276-M398 HydrophobicContact CB-CE 3.98Å
277I98.9Very high98.9Very high0 Ų06.4 Ų6.40%03%0.027CC..Hα-helixtrans-64.2-39.5173.6-70.5-64.6000111.5F235 A273 L274 A279 G316 F329 R331 A339 V341F235-I277 HydrophobicContact CE1-CG2 4.24Å; F235-I277 HydrophobicContact CZ-CG2 4.13Å; A273-I277 WeakPolarHBondContact O-CG1 3.34Å; A273-I277 PolarHBondContact O-N 2.93Å; L274-I277 PolarHBondContact O-N 3.44Å; I277-A279 PolarHBondContact O-N 3Å; I277-G316 VanDerWaalsContact O-CA 3.25Å; I277-G316 WeakPolarHBondContact O-CA 3.27Å; I277-G316 PolarHBondContact O-N 2.91Å; I277-F329 HydrophobicContact CG1-CB 4.38Å; I277-F329 HydrophobicContact CG2-CB 3.96Å; I277-R331 HydrophobicContact CD1-CB 3.7Å; I277-R331 WeakPolarHBondContact O-CD 3.27Å; I277-A339 HydrophobicContact CD1-CB 3.83Å; I277-V341 HydrophobicContact CD1-CG2 3.91Å; I277-V341 HydrophobicContact CG1-CB 4.21Å; I277-V341 HydrophobicContact CG1-CG2 3.54Å
278M98.9Very high98.9Very high1 Ų15 Ų51%0.0052%0.02CC..THydrogen-bonded Turntrans-72.3-3.5179.6-72.5-173.8-69.800113.8F234 F235 P253 L274 W275 A276 A280 Q315F234-M278 HydrophobicContact CB-SD 3.73Å; F234-M278 HydrophobicContact CD1-SD 3.76Å; F234-M278 HydrophobicContact CG-SD 3.86Å; F235-M278 HydrophobicContact CE1-CG 4.08Å; F235-M278 HydrophobicContact CE2-CG 4.16Å; F235-M278 HydrophobicContact CE2-SD 4.08Å; F235-M278 HydrophobicContact CZ-CG 3.56Å; F235-M278 HydrophobicContact CZ-SD 4.09Å; P253-M278 HydrophobicContact CB-CE 4Å; P253-M278 HydrophobicContact CB-SD 4.39Å; P253-M278 HydrophobicContact CG-CE 3.87Å; P253-M278 HydrophobicContact CG-SD 4.42Å; L274-M278 HydrophobicContact CB-CE 4.49Å; L274-M278 WeakPolarHBondContact O-CB 3.39Å; L274-M278 WeakPolarHBondContact O-CG 3.26Å; L274-M278 PolarHBondContact O-N 2.82Å; W275-M278 HydrophobicContact CD2-CE 3.82Å; W275-M278 HydrophobicContact CE3-CE 3.56Å; W275-M278 HydrophobicContact CG-CE 4.36Å; W275-M278 HydrophobicContact CH2-CE 4.46Å; W275-M278 HydrophobicContact CZ3-CE 3.91Å; W275-M278 PolarHBondContact O-N 3.02Å; A276-M278 VanDerWaalsContact C-N 3.35Å; M278-A280 HydrophobicContact CB-CB 4.3Å; M278-A280 PolarHBondContact O-N 2.7Å; M278-Q315 VanDerWaalsContact O-CD 3.25Å; M278-Q315 WeakPolarHBondContact O-CG 3.48Å; M278-Q315 PolarHBondContact O-OE1 3.13Å
279A98.9Very high98.9Very high0 Ų07.8 Ų7.80%03%0.031CC..THydrogen-bonded Turntrans51.537.3-168.300000111.7P27 W250 W275 A276 I277 Q315P27-A279 HydrophobicContact CG-CB 4.31Å; P27-A279 WeakPolarHBondContact CG-O 3.33Å; W250-A279 HydrophobicContact CE3-CB 4.15Å; W250-A279 HydrophobicContact CZ3-CB 3.87Å; W275-A279 PolarHBondContact O-N 2.87Å; A276-A279 PolarHBondContact O-N 3.21Å; I277-A279 PolarHBondContact O-N 3Å; A279-Q315 HydrophobicContact CB-CB 4.25Å
280A98.9Very high98.9Very high0 Ų09 Ų90%05%0.047CC..  trans-73.7153.9-17700000111.4P27 P253 W275 M278 N308P27-A280 VanDerWaalsContact CB-O 3.28Å; P27-A280 WeakPolarHBondContact CB-O 3.36Å; P253-A280 HydrophobicContact CG-CB 3.44Å; P253-A280 VanDerWaalsContact CG-CB 3.44Å; W275-A280 HydrophobicContact CB-CB 3.99Å; W275-A280 HydrophobicContact CG-CB 3.93Å; W275-A280 WeakPolarHBondContact O-CB 3.28Å; W275-A280 PolarHBondContact O-N 3.37Å; M278-A280 HydrophobicContact CB-CB 4.3Å; M278-A280 PolarHBondContact O-N 2.7Å; A280-N308 PolarHBondContact O-ND2 3.25Å
281P98.9Very high98.9Very high1 Ų19.8 Ų9.81%0.0065%0.052CC..  trans-49.3141.5158.2-25.235.4000111.2P28 L213 N251 D252 F283P28-P281 HydrophobicContact CG-CB 4.04Å; P28-P281 HydrophobicContact CG-CG 4.22Å; P28-P281 CarbonylContact O-C 3.48Å; P28-P281 VanDerWaalsContact O-CA 3.31Å; P28-P281 WeakPolarHBondContact O-CA 3.29Å; L213-P281 HydrophobicContact CD1-CB 4.35Å; L213-P281 HydrophobicContact CD1-CG 3.64Å; N251-P281 WeakPolarHBondContact O-CD 3.13Å; D252-P281 HydrophobicContact CB-CG 4.16Å; P281-F283 HydrophobicContact CB-CD2 3.64Å; P281-F283 HydrophobicContact CB-CE2 3.68Å; P281-F283 HydrophobicContact CG-CE2 4.44Å
282L98.9Very high98.8Very high0 Ų012.6 Ų12.60%07%0.071CC..EExtended strand (participates in β ladder)trans-107.668.4172-54.4-179.5000109P28 M29 G30 Y73 L256 M272 W275 N308P28-L282 PolarHBondContact O-N 3.46Å; M29-L282 WeakPolarHBondContact CA-O 3.4Å; M29-L282 HydrophobicContact CB-CB 4.42Å; M29-L282 HydrophobicContact CE-CD1 4.08Å; M29-L282 HydrophobicContact CG-CB 4.03Å; M29-L282 HydrophobicContact CG-CD1 4.31Å; M29-L282 HydrophobicContact CG-CG 4.39Å; M29-L282 HydrophobicContact SD-CD1 4.34Å; G30-L282 PolarHBondContact N-O 2.83Å; Y73-L282 HydrophobicContact CE1-CB 3.99Å; Y73-L282 WeakPolarHBondContact CE1-O 3.32Å; L256-L282 HydrophobicContact CD1-CB 3.96Å; L256-L282 HydrophobicContact CD1-CD2 3.98Å; M272-L282 HydrophobicContact CE-CD1 3.99Å; M272-L282 HydrophobicContact SD-CD2 4.42Å; W275-L282 HydrophobicContact CB-CD2 4.13Å; L282-N308 HydrophobicContact CD1-CB 3.84Å; L282-N308 VanDerWaalsContact CD1-CG 3.49Å; L282-N308 WeakPolarHBondContact CD1-OD1 3.34Å; L282-N308 HydrophobicContact CG-CB 4.46Å
283F98.9Very high98.8Very high5 Ų517.4 Ų17.42%0.02211%0.105CC..EExtended strand (participates in β ladder)trans-87.4108.5169.5-66.6-56.3000109.5P28 G30 L32 Y75 N77 M154 L213 M255 L256 P281P28-F283 HydrophobicContact CB-CE1 4.21Å; P28-F283 HydrophobicContact CB-CE2 4.41Å; P28-F283 HydrophobicContact CB-CZ 3.66Å; P28-F283 HydrophobicContact CG-CE2 3.89Å; P28-F283 HydrophobicContact CG-CZ 3.62Å; G30-F283 WeakPolarHBondContact O-CA 3.41Å; L32-F283 HydrophobicContact CB-CB 4.24Å; Y75-F283 HydrophobicContact CD2-CE1 4.43Å; Y75-F283 HydrophobicContact CG-CE1 4.32Å; N77-F283 WeakPolarHBondContact ND2-CE1 3.08Å; M154-F283 HydrophobicContact CE-CE1 4.47Å; M154-F283 HydrophobicContact CE-CE2 3.76Å; M154-F283 HydrophobicContact CE-CZ 3.48Å; M154-F283 VanDerWaalsContact CE-CZ 3.48Å; M154-F283 HydrophobicContact SD-CE1 4.33Å; M154-F283 HydrophobicContact SD-CZ 3.72Å; L213-F283 HydrophobicContact CD1-CE2 3.88Å; M255-F283 CarbonylContact C-O 3.14Å; M255-F283 WeakPolarHBondContact CA-O 3.33Å; M255-F283 HydrophobicContact CG-CB 4.49Å; L256-F283 PolarHBondContact N-O 2.89Å; P281-F283 HydrophobicContact CB-CD2 3.64Å; P281-F283 HydrophobicContact CB-CE2 3.68Å; P281-F283 HydrophobicContact CG-CE2 4.44Å
284M98.9Very high98.8Very high0 Ų018.8 Ų18.80%012%0.119CC..EExtended strand (participates in β ladder)trans-70.6140.8170.5-58.9178.5-63.200109.6G30 W31 L32 W68 Y73 L288 L299G30-M284 PolarHBondContact O-N 3.4Å; W31-M284 CarbonylContact C-O 3.59Å; W31-M284 WeakPolarHBondContact CA-O 3.47Å; L32-M284 PolarHBondContact N-O 3.3Å; W68-M284 HydrophobicContact CD2-CE 4.13Å; W68-M284 HydrophobicContact CE3-CE 3.84Å; W68-M284 HydrophobicContact CE3-SD 3.87Å; W68-M284 HydrophobicContact CH2-SD 4.05Å; W68-M284 HydrophobicContact CZ3-CE 4.19Å; W68-M284 HydrophobicContact CZ3-SD 3.59Å; W68-M284 VanDerWaalsContact CZ3-SD 3.59Å; Y73-M284 HydrophobicContact CD1-CE 3.57Å; Y73-M284 HydrophobicContact CD1-CG 4.26Å; Y73-M284 HydrophobicContact CD1-SD 4.1Å; Y73-M284 HydrophobicContact CE1-CE 3.98Å; Y73-M284 HydrophobicContact CE1-CG 3.86Å; Y73-M284 HydrophobicContact CE1-SD 3.86Å; Y73-M284 HydrophobicContact CG-CE 3.9Å; M284-L288 HydrophobicContact CE-CD1 4.41Å; M284-L288 HydrophobicContact CE-CD2 4.1Å; M284-L288 HydrophobicContact SD-CD2 4.39Å; M284-L299 HydrophobicContact CG-CD1 4.23Å; M284-L299 HydrophobicContact CG-CD2 4.18Å; M284-L299 HydrophobicContact SD-CB 4.24Å; M284-L299 HydrophobicContact SD-CD1 3.81Å; M284-L299 HydrophobicContact SD-CD2 4.39Å; M284-L299 HydrophobicContact SD-CG 4.39Å
285S98.9Very high98.8Very high0 Ų018.8 Ų18.80%012%0.119CC..  trans-131.186166.9-165.90000108.6L32 E35 R36 M255 L256L32-S285 WeakPolarHBondContact O-CA 3.33Å; L32-S285 WeakPolarHBondContact O-CB 3.39Å; L32-S285 PolarHBondContact O-OG 3.44Å; E35-S285 WeakPolarHBondContact CB-OG 3.5Å; E35-S285 PolarHBondContact N-OG 3.21Å; R36-S285 WeakPolarHBondContact CB-O 3.43Å; R36-S285 PolarHBondContact N-OG 2.73Å; R36-S285 VanDerWaalsContact N-OG 3.15Å; M255-S285 VanDerWaalsContact SD-CB 3.56Å; L256-S285 PolarHBondContact O-N 3.33Å
286N98.8Very high98.8Very high0 Ų022 Ų220%013%0.131CC..SBendtrans-152.4170.9-174.855.229000110.6W31 V258 D260 L288W31-N286 PolarHBondContact NE1-O 2.81Å; V258-N286 PolarHBondContact O-ND2 3.23Å; D260-N286 VanDerWaalsContact OD1-CA 3.27Å; D260-N286 WeakPolarHBondContact OD1-CA 3.49Å; D260-N286 VanDerWaalsContact OD1-CB 3.26Å; D260-N286 WeakPolarHBondContact OD1-CB 3.21Å; N286-L288 PolarHBondContact O-N 3.07Å; N286-L288 WeakPolarHBondContact OD1-CD2 3.26Å
287D98.9Very high98.7Very high13 Ų1325.8 Ų25.87%0.0715%0.154CC..  trans-87.796.9174.3-167.6-21.1000111.2F37 M59 R289 T290 I291F37-D287 HydrophobicContact CZ-CB 3.89Å; M59-D287 WeakPolarHBondContact CE-OD1 3.45Å; D287-R289 PolarHBondContact O-N 2.89Å; D287-R289 VanDerWaalsContact O-N 3.14Å; D287-R289 WeakPolarHBondContact OD1-CB 3.34Å; D287-R289 WeakPolarHBondContact OD1-CG 3.37Å; D287-R289 IonicContact OD1-CZ 3.92Å; D287-R289 PolarHBondContact OD1-N 3.29Å; D287-R289 IonicContact OD1-NE 3.28Å; D287-R289 PolarHBondContact OD1-NE 3.4Å; D287-R289 IonicContact OD1-NH2 3.42Å; D287-R289 IonicContact OD2-CZ 2.72Å; D287-R289 IonicContact OD2-NE 3.71Å; D287-R289 PolarHBondContact OD2-NE 2.82Å; D287-R289 IonicContact OD2-NH2 2.63Å; D287-R289 PolarHBondContact OD2-NH2 3.02Å; D287-T290 PolarHBondContact O-N 3.35Å; D287-T290 VanDerWaalsContact O-N 3.09Å; D287-I291 PolarHBondContact O-N 3.49Å
288L98.8Very high98.7Very high0 Ų026 Ų260%016%0.156CC..THydrogen-bonded Turntrans-64.2-17.4-179.2-64.3175.8000113.7W31 M59 R62 L63 W68 M284 N286 T290 I291W31-L288 HydrophobicContact CG-CD1 4.31Å; M59-L288 HydrophobicContact SD-CB 3.87Å; M59-L288 HydrophobicContact SD-CD1 4.34Å; M59-L288 HydrophobicContact SD-CG 4.19Å; R62-L288 HydrophobicContact CB-CB 3.81Å; R62-L288 HydrophobicContact CB-CD1 4.43Å; R62-L288 HydrophobicContact CG-CB 4.23Å; L63-L288 HydrophobicContact CD1-CD1 3.31Å; L63-L288 HydrophobicContact CG-CD1 4.01Å; W68-L288 HydrophobicContact CZ2-CD2 3.9Å; M284-L288 HydrophobicContact CE-CD1 4.41Å; M284-L288 HydrophobicContact CE-CD2 4.1Å; M284-L288 HydrophobicContact SD-CD2 4.39Å; N286-L288 PolarHBondContact O-N 3.07Å; N286-L288 WeakPolarHBondContact OD1-CD2 3.26Å; L288-T290 VanDerWaalsContact C-N 3.26Å; L288-T290 PolarHBondContact O-N 2.92Å; L288-I291 HydrophobicContact CD2-CD1 4.41Å
289R98.8Very high98.7Very high61 Ų6126 Ų2623%0.2316%0.155CC..THydrogen-bonded Turntrans-71.7-25.6176.8-52.2169.6-66.6-166.21.1111.6K48 N49 D58 M59 R62 D287K48-R289 PolarHBondContact O-NH1 2.82Å; K48-R289 PolarHBondContact O-NH2 2.78Å; K48-R289 VanDerWaalsContact O-NH2 3.11Å; N49-R289 PolarHBondContact OD1-NH2 2.83Å; D58-R289 WeakPolarHBondContact OD2-CD 3.14Å; D58-R289 IonicContact OD2-NH1 3.87Å; D58-R289 PolarHBondContact OD2-NH1 2.91Å; D58-R289 VanDerWaalsContact OD2-NH1 3.12Å; M59-R289 HydrophobicContact CE-CG 4.26Å; R62-R289 HydrophobicContact CG-CG 4.21Å; D287-R289 PolarHBondContact O-N 2.89Å; D287-R289 VanDerWaalsContact O-N 3.14Å; D287-R289 WeakPolarHBondContact OD1-CB 3.34Å; D287-R289 WeakPolarHBondContact OD1-CG 3.37Å; D287-R289 IonicContact OD1-CZ 3.92Å; D287-R289 PolarHBondContact OD1-N 3.29Å; D287-R289 IonicContact OD1-NE 3.28Å; D287-R289 PolarHBondContact OD1-NE 3.4Å; D287-R289 IonicContact OD1-NH2 3.42Å; D287-R289 IonicContact OD2-CZ 2.72Å; D287-R289 IonicContact OD2-NE 3.71Å; D287-R289 PolarHBondContact OD2-NE 2.82Å; D287-R289 IonicContact OD2-NH2 2.63Å; D287-R289 PolarHBondContact OD2-NH2 3.02Å
290T98.4Very high98.7Very high108 Ų10828.1 Ų28.166%0.66317%0.165SC*.THydrogen-bonded Turntrans-130.48.6-173.5590000114.1D287 L288 S292D287-T290 PolarHBondContact O-N 3.35Å; D287-T290 VanDerWaalsContact O-N 3.09Å; L288-T290 VanDerWaalsContact C-N 3.26Å; L288-T290 PolarHBondContact O-N 2.92Å; T290-S292 PolarHBondContact O-N 2.68Å
291I98.3Very high98.7Very high17 Ų1728.5 Ų28.59%0.08717%0.168CC..  trans-56.6133.6-179.1-167.4171.1000111.6W68 D287 L288 A295 L299W68-I291 HydrophobicContact CH2-CD1 4.29Å; W68-I291 HydrophobicContact CZ2-CD1 4.35Å; W68-I291 HydrophobicContact CZ2-CG2 4.35Å; D287-I291 PolarHBondContact O-N 3.49Å; L288-I291 HydrophobicContact CD2-CD1 4.41Å; I291-A295 HydrophobicContact CD1-CB 4.13Å; I291-A295 HydrophobicContact CG1-CB 3.86Å; I291-L299 HydrophobicContact CD1-CD1 3.8Å
292S98.4Very high98.7Very high59 Ų5935.9 Ų35.941%0.41320%0.199SC..  trans-65153-179.774.20000112T290 G294 A295 R296T290-S292 PolarHBondContact O-N 2.68Å; S292-G294 VanDerWaalsContact C-N 3.27Å; S292-G294 PolarHBondContact O-N 3.23Å; S292-A295 PolarHBondContact O-N 2.88Å; S292-A295 WeakPolarHBondContact OG-CB 3.47Å; S292-A295 PolarHBondContact OG-N 3.03Å; S292-R296 WeakPolarHBondContact O-CB 3.28Å; S292-R296 PolarHBondContact O-N 3.3Å
293S98.1Very high98.7Very high100 Ų10037.1 Ų37.170%0.69921%0.207SC*.Hα-helixtrans-59.2-37.9176.2550000112.5R296 T297S293-R296 PolarHBondContact O-N 2.7Å; S293-T297 PolarHBondContact O-N 2.86Å; S293-T297 PolarHBondContact O-OG1 3.14Å; S293-T297 VanDerWaalsContact O-OG1 3.07Å
294G98.6Very high98.7Very high30 Ų3036.9 Ų36.931%0.30921%0.206SC..Hα-helixtrans-62.9-47.9176.900000112.9S292 T297 I298S292-G294 VanDerWaalsContact C-N 3.27Å; S292-G294 PolarHBondContact O-N 3.23Å; G294-T297 PolarHBondContact O-N 2.94Å; G294-I298 WeakPolarHBondContact O-CG1 3.47Å; G294-I298 PolarHBondContact O-N 2.91Å
295A98.8Very high98.7Very high0 Ų037.5 Ų37.50%021%0.209CC..Hα-helixtrans-64.7-40.9175.700000111.7V258 G259 I291 S292 T297 I298 L299V258-A295 HydrophobicContact CG1-CB 3.98Å; G259-A295 VanDerWaalsContact CA-CB 3.49Å; I291-A295 HydrophobicContact CD1-CB 4.13Å; I291-A295 HydrophobicContact CG1-CB 3.86Å; S292-A295 PolarHBondContact O-N 2.88Å; S292-A295 WeakPolarHBondContact OG-CB 3.47Å; S292-A295 PolarHBondContact OG-N 3.03Å; A295-T297 PolarHBondContact O-N 3.2Å; A295-I298 PolarHBondContact O-N 2.93Å; A295-L299 PolarHBondContact O-N 2.84Å
296R98.8Very high98.7Very high68 Ų6839.2 Ų39.226%0.25723%0.227SC..Hα-helixtrans-58.2-47174.3-178.2176.5-72.4-161-5.9111.5D66 W68 S292 S293 I298 L299 Q300D66-R296 IonicContact OD2-CZ 3.34Å; D66-R296 IonicContact OD2-NH1 2.71Å; D66-R296 IonicContact OD2-NH2 3.26Å; D66-R296 PolarHBondContact OD2-NH2 3.39Å; W68-R296 HydrophobicContact CH2-CB 4.37Å; W68-R296 HydrophobicContact CH2-CG 3.97Å; W68-R296 HydrophobicContact CZ2-CB 4.4Å; W68-R296 HydrophobicContact CZ2-CG 3.84Å; S292-R296 WeakPolarHBondContact O-CB 3.28Å; S292-R296 PolarHBondContact O-N 3.3Å; S293-R296 PolarHBondContact O-N 2.7Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 2.65Å; R296-L299 PolarHBondContact O-N 3.2Å; R296-Q300 HydrophobicContact CG-CG 4.06Å; R296-Q300 VanDerWaalsContact O-CB 3.26Å; R296-Q300 WeakPolarHBondContact O-CB 3.31Å; R296-Q300 WeakPolarHBondContact O-CG 3.42Å; R296-Q300 PolarHBondContact O-N 2.79Å
297T98.6Very high98.7Very high78 Ų7839.4 Ų39.448%0.47923%0.228SC..Hα-helixtrans-58.9-40.2177.1-64.90000112.2S293 G294 A295 N301S293-T297 PolarHBondContact O-N 2.86Å; S293-T297 PolarHBondContact O-OG1 3.14Å; S293-T297 VanDerWaalsContact O-OG1 3.07Å; G294-T297 PolarHBondContact O-N 2.94Å; A295-T297 PolarHBondContact O-N 3.2Å; T297-N301 PolarHBondContact O-N 3.24Å
298I98.9Very high98.7Very high6 Ų638.8 Ų38.83%0.03123%0.225CC..Hα-helixtrans-64.3-50.7178.4-66.6166.1000110.6V258 M265 R269 M272 G294 A295 R296 Q300 N301 F373V258-I298 HydrophobicContact CG1-CB 4.4Å; V258-I298 HydrophobicContact CG1-CG2 4.27Å; M265-I298 HydrophobicContact SD-CD1 4.38Å; R269-I298 HydrophobicContact CG-CD1 3.74Å; R269-I298 HydrophobicContact CG-CG1 3.9Å; M272-I298 HydrophobicContact CB-CG2 3.71Å; M272-I298 HydrophobicContact CG-CG2 4.02Å; G294-I298 WeakPolarHBondContact O-CG1 3.47Å; G294-I298 PolarHBondContact O-N 2.91Å; A295-I298 PolarHBondContact O-N 2.93Å; R296-I298 VanDerWaalsContact C-N 3.3Å; R296-I298 PolarHBondContact O-N 2.65Å; I298-Q300 VanDerWaalsContact C-N 3.34Å; I298-Q300 PolarHBondContact O-N 2.98Å; I298-N301 WeakPolarHBondContact O-CB 2.99Å; I298-N301 PolarHBondContact O-N 3.11Å; I298-F373 HydrophobicContact CG2-CE1 4.3Å
299L98.9Very high98.7Very high0 Ų040.9 Ų40.90%024%0.235CC..Hα-helixtrans-72.8-26.6-176.1-68.7166.5000112.8W68 Y73 L256 V258 M272 M284 I291 A295 R296W68-L299 HydrophobicContact CH2-CB 3.82Å; W68-L299 HydrophobicContact CH2-CD1 4.3Å; W68-L299 HydrophobicContact CZ3-CB 3.58Å; Y73-L299 PolarHBondContact OH-O 3.04Å; L256-L299 HydrophobicContact CB-CD2 4.43Å; L256-L299 HydrophobicContact CD1-CD2 3.63Å; V258-L299 HydrophobicContact CB-CD1 4.01Å; V258-L299 HydrophobicContact CB-CD2 3.97Å; V258-L299 HydrophobicContact CB-CG 4.01Å; V258-L299 HydrophobicContact CG1-CD1 3.9Å; V258-L299 HydrophobicContact CG1-CD2 4.26Å; V258-L299 HydrophobicContact CG1-CG 3.8Å; V258-L299 HydrophobicContact CG2-CD2 4.38Å; M272-L299 HydrophobicContact SD-CD2 4.34Å; M284-L299 HydrophobicContact CG-CD1 4.23Å; M284-L299 HydrophobicContact CG-CD2 4.18Å; M284-L299 HydrophobicContact SD-CB 4.24Å; M284-L299 HydrophobicContact SD-CD1 3.81Å; M284-L299 HydrophobicContact SD-CD2 4.39Å; M284-L299 HydrophobicContact SD-CG 4.39Å; I291-L299 HydrophobicContact CD1-CD1 3.8Å; A295-L299 PolarHBondContact O-N 2.84Å; R296-L299 PolarHBondContact O-N 3.2Å
300Q98.9Very high98.7Very high45 Ų4538.6 Ų38.621%0.2123%0.227CC..THydrogen-bonded Turntrans-92.25.3176.6-66-168.1-19.600113.8D66 W68 L71 R296 I298 K302D66-Q300 PolarHBondContact O-NE2 3.03Å; W68-Q300 HydrophobicContact CD2-CG 4.27Å; W68-Q300 HydrophobicContact CE3-CG 3.61Å; W68-Q300 HydrophobicContact CH2-CG 3.66Å; W68-Q300 HydrophobicContact CZ2-CG 4.28Å; W68-Q300 HydrophobicContact CZ3-CB 4.49Å; W68-Q300 HydrophobicContact CZ3-CG 3.26Å; L71-Q300 HydrophobicContact CD1-CB 3.47Å; L71-Q300 VanDerWaalsContact CD1-CB 3.47Å; L71-Q300 HydrophobicContact CD1-CG 3.55Å; R296-Q300 HydrophobicContact CG-CG 4.06Å; R296-Q300 VanDerWaalsContact O-CB 3.26Å; R296-Q300 WeakPolarHBondContact O-CB 3.31Å; R296-Q300 WeakPolarHBondContact O-CG 3.42Å; R296-Q300 PolarHBondContact O-N 2.79Å; I298-Q300 VanDerWaalsContact C-N 3.34Å; I298-Q300 PolarHBondContact O-N 2.98Å; Q300-K302 PolarHBondContact O-N 2.84Å
301N98.9Very high98.7Very high8 Ų837.9 Ų37.94%0.04322%0.224CC..  trans-64.7108.6-178-175.3-66.6000110.7T297 I298 V303 A304 I305 V372 E375T297-N301 PolarHBondContact O-N 3.24Å; I298-N301 WeakPolarHBondContact O-CB 2.99Å; I298-N301 PolarHBondContact O-N 3.11Å; N301-V303 VanDerWaalsContact C-N 3.27Å; N301-V303 PolarHBondContact O-N 2.95Å; N301-V303 PolarHBondContact OD1-N 3.22Å; N301-V303 VanDerWaalsContact OD1-N 3.16Å; N301-A304 HydrophobicContact CB-CB 4.05Å; N301-A304 PolarHBondContact O-N 3.23Å; N301-A304 PolarHBondContact OD1-N 3.4Å; N301-I305 WeakPolarHBondContact O-CG1 3.47Å; N301-I305 PolarHBondContact O-N 3.38Å; N301-V372 PolarHBondContact ND2-O 2.75Å; N301-V372 WeakPolarHBondContact OD1-CG1 3.43Å; N301-E375 PolarHBondContact ND2-OE1 2.89Å
302K98.8Very high98.7Very high155 Ų15541.2 Ų41.267%0.67424%0.24SC*.Hα-helixtrans-59.5-34.5-173.3-66-178.2179.8178.70113.4L71 Q300 G306L71-K302 HydrophobicContact CD2-CD 4.4Å; L71-K302 HydrophobicContact CD2-CG 3.74Å; Q300-K302 PolarHBondContact O-N 2.84Å; K302-G306 PolarHBondContact O-N 3.09Å
303V98.8Very high98.7Very high27 Ų2738.5 Ų38.516%0.16422%0.221CC..Hα-helixtrans-75.8-40.8-179.3-175.70000110.3N301 I305 G306 I307 Y370 V372N301-V303 VanDerWaalsContact C-N 3.27Å; N301-V303 PolarHBondContact O-N 2.95Å; N301-V303 PolarHBondContact OD1-N 3.22Å; N301-V303 VanDerWaalsContact OD1-N 3.16Å; V303-I305 PolarHBondContact O-N 2.8Å; V303-G306 PolarHBondContact O-N 2.76Å; V303-I307 HydrophobicContact CG1-CD1 4.17Å; V303-I307 VanDerWaalsContact O-CG1 3.27Å; V303-I307 WeakPolarHBondContact O-CG1 3.2Å; V303-I307 PolarHBondContact O-N 2.59Å; V303-Y370 HydrophobicContact CB-CE1 4.37Å; V303-Y370 HydrophobicContact CG1-CD1 4.2Å; V303-Y370 HydrophobicContact CG1-CE1 4.48Å; V303-Y370 HydrophobicContact CG2-CD1 4.19Å; V303-Y370 HydrophobicContact CG2-CE1 3.76Å; V303-V372 HydrophobicContact CB-CG1 4.23Å; V303-V372 HydrophobicContact CB-CG2 4.47Å; V303-V372 HydrophobicContact CG1-CG1 4.41Å; V303-V372 HydrophobicContact CG1-CG2 3.81Å
304A98.9Very high98.7Very high0 Ų035.7 Ų35.70%020%0.2CC..Hα-helixtrans-61.7-4317300000111.8M272 N301 I307 N308 V372M272-A304 HydrophobicContact CE-CB 3.91Å; M272-A304 HydrophobicContact CG-CB 4.34Å; N301-A304 HydrophobicContact CB-CB 4.05Å; N301-A304 PolarHBondContact O-N 3.23Å; N301-A304 PolarHBondContact OD1-N 3.4Å; A304-I307 PolarHBondContact O-N 3.36Å; A304-N308 PolarHBondContact O-N 2.71Å; A304-V372 HydrophobicContact CB-CG1 3.88Å
305I98.9Very high98.7Very high12 Ų1234.4 Ų34.46%0.06219%0.186CC..Hα-helixtrans-62.6-47173.6-67.2169.2000110.7M29 L71 Y73 M272 N301 V303 I307 N308 Q309M29-I305 HydrophobicContact CE-CD1 4.18Å; M29-I305 HydrophobicContact CE-CG1 4.07Å; M29-I305 HydrophobicContact CE-CG2 3.73Å; M29-I305 HydrophobicContact SD-CG2 3.95Å; L71-I305 HydrophobicContact CB-CD1 3.99Å; L71-I305 HydrophobicContact CD1-CD1 4.4Å; L71-I305 HydrophobicContact CD2-CD1 4.41Å; Y73-I305 HydrophobicContact CE2-CD1 3.9Å; M272-I305 HydrophobicContact CE-CG1 4.08Å; N301-I305 WeakPolarHBondContact O-CG1 3.47Å; N301-I305 PolarHBondContact O-N 3.38Å; V303-I305 PolarHBondContact O-N 2.8Å; I305-I307 VanDerWaalsContact C-N 3.3Å; I305-I307 PolarHBondContact O-N 3.46Å; I305-N308 WeakPolarHBondContact O-CA 3.33Å; I305-N308 WeakPolarHBondContact O-CB 3.47Å; I305-N308 PolarHBondContact O-N 3.03Å; I305-Q309 HydrophobicContact CG2-CG 4.01Å; I305-Q309 WeakPolarHBondContact O-CB 3.39Å; I305-Q309 WeakPolarHBondContact O-CG 3.33Å; I305-Q309 PolarHBondContact O-N 3.47Å
306G98.9Very high98.7Very high37 Ų3734.4 Ų34.438%0.38119%0.186SC..Hα-helixtrans-59.6-39.1178.500000112.9K302 V303 D310K302-G306 PolarHBondContact O-N 3.09Å; V303-G306 PolarHBondContact O-N 2.76Å; G306-D310 PolarHBondContact O-N 2.68Å; G306-D310 VanDerWaalsContact O-N 3.14Å
307I98.9Very high98.7Very high3 Ų335.9 Ų35.92%0.01519%0.191CC..Hα-helixtrans-63.5-46.6171.9-69.9164.5000110.7A276 V303 A304 I305 Q309 D310 R331 L333 A339 V372 M398 Y400A276-I307 HydrophobicContact CB-CG2 4.31Å; V303-I307 HydrophobicContact CG1-CD1 4.17Å; V303-I307 VanDerWaalsContact O-CG1 3.27Å; V303-I307 WeakPolarHBondContact O-CG1 3.2Å; V303-I307 PolarHBondContact O-N 2.59Å; A304-I307 PolarHBondContact O-N 3.36Å; I305-I307 VanDerWaalsContact C-N 3.3Å; I305-I307 PolarHBondContact O-N 3.46Å; I307-Q309 PolarHBondContact O-N 3.24Å; I307-D310 PolarHBondContact O-N 3.05Å; I307-R331 PolarHBondContact O-NH1 3.28Å; I307-L333 HydrophobicContact CG1-CD1 3.98Å; I307-L333 HydrophobicContact CG2-CD1 4.44Å; I307-L333 HydrophobicContact CG2-CD2 4.16Å; I307-A339 HydrophobicContact CD1-CB 3.94Å; I307-A339 HydrophobicContact CG1-CB 4.21Å; I307-A339 HydrophobicContact CG2-CB 3.56Å; I307-V372 HydrophobicContact CD1-CG2 3.96Å; I307-M398 HydrophobicContact CB-CE 4.22Å; I307-M398 HydrophobicContact CD1-CE 3.46Å; I307-M398 VanDerWaalsContact CD1-CE 3.46Å; I307-M398 HydrophobicContact CG1-CE 4.43Å; I307-M398 HydrophobicContact CG2-CE 3.84Å; I307-Y400 HydrophobicContact CD1-CD2 4.47Å; I307-Y400 HydrophobicContact CG1-CD2 4.24Å
308N98.9Very high98.7Very high0 Ų033.6 Ų33.60%017%0.174CC..Hα-helixtrans-59-47.4178.1176.5-93.9000111.5A276 A280 L282 A304 I305 D310 R331A276-N308 HydrophobicContact CB-CB 4.14Å; A280-N308 PolarHBondContact O-ND2 3.25Å; L282-N308 HydrophobicContact CD1-CB 3.84Å; L282-N308 VanDerWaalsContact CD1-CG 3.49Å; L282-N308 WeakPolarHBondContact CD1-OD1 3.34Å; L282-N308 HydrophobicContact CG-CB 4.46Å; A304-N308 PolarHBondContact O-N 2.71Å; I305-N308 WeakPolarHBondContact O-CA 3.33Å; I305-N308 WeakPolarHBondContact O-CB 3.47Å; I305-N308 PolarHBondContact O-N 3.03Å; N308-D310 VanDerWaalsContact C-N 3.28Å; N308-D310 PolarHBondContact O-N 3.1Å; N308-R331 VanDerWaalsContact CA-NH1 3.34Å; N308-R331 PolarHBondContact O-NH1 3.15Å; N308-R331 PolarHBondContact O-NH2 3.01Å; N308-R331 VanDerWaalsContact O-NH2 3.13Å
309Q98.9Very high98.6Very high45 Ų4536.3 Ų36.321%0.2119%0.188CC..THydrogen-bonded Turntrans-84.411.3-175.1-65-63.6-69.200114.4T26 P27 M29 I305 I307T26-Q309 VanDerWaalsContact CG2-O 3.29Å; T26-Q309 WeakPolarHBondContact CG2-O 3.17Å; T26-Q309 PolarHBondContact OG1-OE1 3.03Å; P27-Q309 PolarHBondContact O-NE2 3.49Å; M29-Q309 HydrophobicContact SD-CG 3.52Å; M29-Q309 VanDerWaalsContact SD-CG 3.52Å; I305-Q309 HydrophobicContact CG2-CG 4.01Å; I305-Q309 WeakPolarHBondContact O-CB 3.39Å; I305-Q309 WeakPolarHBondContact O-CG 3.33Å; I305-Q309 PolarHBondContact O-N 3.47Å; I307-Q309 PolarHBondContact O-N 3.24Å
310D98.8Very high98.5Very high13 Ų1338.5 Ų38.57%0.0720%0.199CC..  trans-55.2128.3178.7175.9-94.4000111.9G306 I307 N308 M312 G313 L333 S334G306-D310 PolarHBondContact O-N 2.68Å; G306-D310 VanDerWaalsContact O-N 3.14Å; I307-D310 PolarHBondContact O-N 3.05Å; N308-D310 VanDerWaalsContact C-N 3.28Å; N308-D310 PolarHBondContact O-N 3.1Å; D310-M312 VanDerWaalsContact C-N 3.27Å; D310-M312 PolarHBondContact O-N 3.08Å; D310-M312 VanDerWaalsContact OD1-CB 3.25Å; D310-M312 WeakPolarHBondContact OD1-CB 3.3Å; D310-M312 PolarHBondContact OD1-N 2.97Å; D310-G313 PolarHBondContact O-N 3.13Å; D310-L333 HydrophobicContact CB-CD2 3.66Å; D310-S334 PolarHBondContact OD1-N 2.8Å; D310-S334 PolarHBondContact OD1-OG 2.75Å; D310-S334 WeakPolarHBondContact OD2-CB 3.39Å; D310-S334 PolarHBondContact OD2-N 3.07Å; D310-S334 PolarHBondContact OD2-OG 2.79Å
311P98Very high98.4Very high92 Ų9242 Ų4260%0.59721%0.214SC*.THydrogen-bonded Turntrans-72.5-13.5-169.428.2-36.4000114.2G313 S334P311-G313 PolarHBondContact O-N 3.19Å; P311-S334 WeakPolarHBondContact CD-OG 3.34Å; P311-S334 WeakPolarHBondContact CG-OG 3.5Å
312M97.7Very high98.3Very high88 Ų8845 Ų4543%0.43323%0.228SC..THydrogen-bonded Turntrans-64.6-26.5169.1-69.1-17946.600111.2D310 V314 S334D310-M312 VanDerWaalsContact C-N 3.27Å; D310-M312 PolarHBondContact O-N 3.08Å; D310-M312 VanDerWaalsContact OD1-CB 3.25Å; D310-M312 WeakPolarHBondContact OD1-CB 3.3Å; D310-M312 PolarHBondContact OD1-N 2.97Å; M312-V314 HydrophobicContact CB-CG2 4.13Å; M312-V314 HydrophobicContact CE-CG2 3.98Å; M312-V314 PolarHBondContact O-N 2.8Å; M312-V314 VanDerWaalsContact O-N 3.12Å; M312-S334 VanDerWaalsContact SD-CA 3.52Å; M312-S334 PolarHBondContact SD-N 2.81Å; M312-S334 VanDerWaalsContact SD-N 3.44Å
313G98.1Very high98.2Very high1 Ų148.4 Ų48.41%0.0124%0.243CC..  trans62.920.2176.700000114.2W250 D310 P311 Q315W250-G313 VanDerWaalsContact CH2-CA 3.49Å; W250-G313 WeakPolarHBondContact CZ3-O 3.21Å; D310-G313 PolarHBondContact O-N 3.13Å; P311-G313 PolarHBondContact O-N 3.19Å; G313-Q315 PolarHBondContact O-N 2.75Å
314V98.7Very high98.1Very high41 Ų4148.1 Ų48.125%0.24824%0.242CC..  trans-80.8116.3-179.6179.70000109M312 R331 P332M312-V314 HydrophobicContact CB-CG2 4.13Å; M312-V314 HydrophobicContact CE-CG2 3.98Å; M312-V314 PolarHBondContact O-N 2.8Å; M312-V314 VanDerWaalsContact O-N 3.12Å; V314-R331 WeakPolarHBondContact O-CG 3.16Å; V314-R331 PolarHBondContact O-NE 2.8Å; V314-P332 HydrophobicContact CB-CG 3.99Å; V314-P332 HydrophobicContact CG1-CG 3.54Å
315Q98.8Very high98Very high4 Ų449.1 Ų49.12%0.01925%0.252CS..  trans-61.7136.8170171.9165.4-2400110.3Q242 A245 N251 M278 A279 G313Q242-Q315 HydrophobicContact CG-CB 4.23Å; Q242-Q315 HydrophobicContact CG-CG 4.17Å; Q242-Q315 WeakPolarHBondContact CG-O 3.26Å; Q242-Q315 PolarHBondContact NE2-O 3.25Å; A245-Q315 HydrophobicContact CB-CB 3.88Å; N251-Q315 PolarHBondContact ND2-OE1 3.45Å; M278-Q315 VanDerWaalsContact O-CD 3.25Å; M278-Q315 WeakPolarHBondContact O-CG 3.48Å; M278-Q315 PolarHBondContact O-OE1 3.13Å; A279-Q315 HydrophobicContact CB-CB 4.25Å; G313-Q315 PolarHBondContact O-N 2.75Å
316G98.8Very high98Very high0 Ų048.5 Ų48.50%025%0.249CC..  trans-78-175.6177.400000113.6I277 W330I277-G316 VanDerWaalsContact O-CA 3.25Å; I277-G316 WeakPolarHBondContact O-CA 3.27Å; I277-G316 PolarHBondContact O-N 2.91Å; G316-W330 CarbonylContact C-O 3.58Å; G316-W330 WeakPolarHBondContact CA-O 3.28Å
317R98.6Very high98Very high99 Ų9946.9 Ų46.937%0.37423%0.231SC..EExtended strand (participates in β ladder)trans-148.2160.2-175.561.5-177.867.2145.7-1.3111.9Q238 Q242 L319 F329 W330Q238-R317 VanDerWaalsContact OE1-CB 3.31Å; Q242-R317 VanDerWaalsContact OE1-NH2 3.14Å; R317-L319 HydrophobicContact CG-CD2 3.98Å; R317-F329 CarbonylContact O-C 3.59Å; R317-F329 WeakPolarHBondContact O-CA 3.48Å; R317-W330 HydrophobicContact CG-CE3 4.47Å; R317-W330 PolarHBondContact N-O 3.4Å; R317-W330 PolarHBondContact O-N 2.97Å
318R98.7Very high98Very high30 Ų3046.7 Ų46.711%0.11323%0.23CC..EExtended strand (participates in β ladder)trans-79.8124.2165.4-170.2170.857.3-154.4-9.1109.2D232 F235 N236 Q238 I320 E327 F329D232-R318 IonicContact OD1-NH1 3.68Å; F235-R318 HydrophobicContact CB-CB 4.21Å; F235-R318 HydrophobicContact CD1-CB 4.07Å; F235-R318 HydrophobicContact CG-CB 4.29Å; N236-R318 PolarHBondContact OD1-NH2 3.34Å; Q238-R318 PolarHBondContact NE2-O 2.99Å; R318-I320 WeakPolarHBondContact CG-O 3.36Å; R318-E327 WeakPolarHBondContact CD-OE2 3.29Å; R318-E327 IonicContact NH1-OE1 3.23Å; R318-E327 PolarHBondContact NH1-OE1 2.99Å; R318-E327 IonicContact NH1-OE2 2.73Å; R318-E327 PolarHBondContact NH1-OE2 3.39Å; R318-F329 HydrophobicContact CB-CD1 3.54Å; R318-F329 HydrophobicContact CB-CE1 3.54Å; R318-F329 HydrophobicContact CG-CD1 3.85Å; R318-F329 HydrophobicContact CG-CE1 3.61Å; R318-F329 HydrophobicContact CG-CZ 4.2Å
319L97.3Very high98Very high63 Ų6346.8 Ų46.833%0.3323%0.23SC..EExtended strand (participates in β ladder)trans-90.1-43.4175.3-61.8-175.1000111.7R317 V328 W330R317-L319 HydrophobicContact CG-CD2 3.98Å; L319-V328 PolarHBondContact N-O 3.14Å; L319-W330 HydrophobicContact CD1-CB 3.42Å; L319-W330 VanDerWaalsContact CD1-CB 3.42Å; L319-W330 HydrophobicContact CD1-CG 3.96Å; L319-W330 HydrophobicContact CD2-CB 4.21Å; L319-W330 HydrophobicContact CG-CB 3.67Å
320I97.1Very high98Very high45 Ų4547.4 Ų47.423%0.23123%0.231CC..EExtended strand (participates in β ladder)trans-133.7142-170.5-59.2-179.4000110R318 E322 E327 V328 L360R318-I320 WeakPolarHBondContact CG-O 3.36Å; I320-E322 HydrophobicContact CG2-CG 3.48Å; I320-E322 VanDerWaalsContact CG2-CG 3.48Å; I320-E327 VanDerWaalsContact O-CA 3.26Å; I320-E327 WeakPolarHBondContact O-CA 3.37Å; I320-V328 HydrophobicContact CB-CB 4.03Å; I320-V328 HydrophobicContact CB-CG2 4.12Å; I320-V328 HydrophobicContact CD1-CG2 4.43Å; I320-V328 HydrophobicContact CG1-CB 4.45Å; I320-V328 PolarHBondContact N-O 3.35Å; I320-V328 PolarHBondContact O-N 2.97Å; I320-L360 HydrophobicContact CD1-CD2 3.39Å; I320-L360 HydrophobicContact CG1-CD2 4.46Å
321K96.8Very high98Very high118 Ų11846.8 Ų46.851%0.51323%0.228SC..EExtended strand (participates in β ladder)trans-133.9107.2165.3-179.4167.9-171.7153.70108.9E327K321-E327 HydrophobicContact CB-CG 4.31Å; K321-E327 WeakPolarHBondContact CD-OE1 3.42Å; K321-E327 WeakPolarHBondContact CE-OE1 3.38Å; K321-E327 HydrophobicContact CG-CG 4.08Å; K321-E327 WeakPolarHBondContact CG-OE1 3.49Å; K321-E327 IonicContact NZ-OE1 3.45Å; K321-E327 PolarHBondContact NZ-OE1 3.45Å; K321-E327 VanDerWaalsContact NZ-OE1 3.16Å
322E95.8Very high98Very high73 Ų7343.6 Ų43.634%0.34121%0.207SC..  trans-95.5156-175.4-64.6-159.8178.100113.5I320 S324 G325 I326 Y353I320-E322 HydrophobicContact CG2-CG 3.48Å; I320-E322 VanDerWaalsContact CG2-CG 3.48Å; E322-S324 WeakPolarHBondContact CB-OG 3.12Å; E322-S324 PolarHBondContact O-N 3.48Å; E322-S324 PolarHBondContact OE2-OG 3.19Å; E322-G325 PolarHBondContact O-N 3.42Å; E322-G325 VanDerWaalsContact O-N 3.07Å; E322-I326 PolarHBondContact N-O 3.02Å; E322-Y353 VanDerWaalsContact CD-CE2 3.47Å; E322-Y353 WeakPolarHBondContact OE1-CE2 3.35Å; E322-Y353 PolarHBondContact OE1-OH 2.04Å; E322-Y353 WeakPolarHBondContact OE2-CE2 3.45Å
323K96.5Very high98Very high226 Ų22639.7 Ų39.798%0.98319%0.188SC*.THydrogen-bonded Turntrans-62.2-21.6170.9-64.7-175.9179.9-179.80113G325K323-G325 PolarHBondContact O-N 3.18Å
324S96.4Very high98Very high21 Ų2140.8 Ų40.815%0.14720%0.195CC..THydrogen-bonded Turntrans-67.4-11.9174.858.20000113.1E322 I326 R346E322-S324 WeakPolarHBondContact CB-OG 3.12Å; E322-S324 PolarHBondContact O-N 3.48Å; E322-S324 PolarHBondContact OE2-OG 3.19Å; S324-I326 PolarHBondContact OG-N 3.28Å; S324-R346 WeakPolarHBondContact O-CD 3.45Å; S324-R346 WeakPolarHBondContact O-CG 3.25Å; S324-R346 PolarHBondContact O-NH1 3.26Å
325G97.6Very high97.8Very high20 Ų2045.9 Ų45.921%0.20622%0.221CC..SBendtrans85.68.1-172.700000113.4E322 K323 R345E322-G325 PolarHBondContact O-N 3.42Å; E322-G325 VanDerWaalsContact O-N 3.07Å; K323-G325 PolarHBondContact O-N 3.18Å; G325-R345 WeakPolarHBondContact O-CB 3.29Å; G325-R345 PolarHBondContact O-N 3.42Å
326I98.6Very high97.6Very high0 Ų054.2 Ų54.20%026%0.257CS..EExtended strand (participates in β ladder)trans-90.4133.1174.1-56-51.4000110.1E322 S324 F343 Y351 Y353 I391E322-I326 PolarHBondContact N-O 3.02Å; S324-I326 PolarHBondContact OG-N 3.28Å; I326-F343 WeakPolarHBondContact CA-O 3.1Å; I326-Y351 HydrophobicContact CD1-CD1 3.81Å; I326-Y351 HydrophobicContact CD1-CG 4.31Å; I326-Y351 HydrophobicContact CG1-CD1 3.65Å; I326-Y351 HydrophobicContact CG1-CE1 3.88Å; I326-Y353 HydrophobicContact CB-CD2 4.17Å; I326-Y353 HydrophobicContact CB-CE2 4.4Å; I326-Y353 HydrophobicContact CG1-CD2 4.1Å; I326-Y353 HydrophobicContact CG1-CG 4.47Å; I326-Y353 HydrophobicContact CG2-CD1 4.22Å; I326-Y353 HydrophobicContact CG2-CD2 3.95Å; I326-Y353 HydrophobicContact CG2-CE1 4.39Å; I326-Y353 HydrophobicContact CG2-CE2 4.16Å; I326-Y353 HydrophobicContact CG2-CG 3.98Å; I326-I391 HydrophobicContact CD1-CD1 3.96Å; I326-I391 HydrophobicContact CG2-CD1 4.07Å
327E98.8Very high97.5Very high2 Ų254.5 Ų54.51%0.00926%0.259CS..EExtended strand (participates in β ladder)trans-115.6142.9169.1-58.9-168.4169.200109.4R318 I320 K321 F329 F343 R345R318-E327 WeakPolarHBondContact CD-OE2 3.29Å; R318-E327 IonicContact NH1-OE1 3.23Å; R318-E327 PolarHBondContact NH1-OE1 2.99Å; R318-E327 IonicContact NH1-OE2 2.73Å; R318-E327 PolarHBondContact NH1-OE2 3.39Å; I320-E327 VanDerWaalsContact O-CA 3.26Å; I320-E327 WeakPolarHBondContact O-CA 3.37Å; K321-E327 HydrophobicContact CB-CG 4.31Å; K321-E327 WeakPolarHBondContact CD-OE1 3.42Å; K321-E327 WeakPolarHBondContact CE-OE1 3.38Å; K321-E327 HydrophobicContact CG-CG 4.08Å; K321-E327 WeakPolarHBondContact CG-OE1 3.49Å; K321-E327 IonicContact NZ-OE1 3.45Å; K321-E327 PolarHBondContact NZ-OE1 3.45Å; K321-E327 VanDerWaalsContact NZ-OE1 3.16Å; E327-F329 HydrophobicContact CB-CD2 4.5Å; E327-F329 HydrophobicContact CB-CE2 3.67Å; E327-F329 HydrophobicContact CB-CZ 3.86Å; E327-F329 VanDerWaalsContact OE2-CZ 3.27Å; E327-F329 WeakPolarHBondContact OE2-CZ 3.26Å; E327-F343 HydrophobicContact CB-CD1 4.27Å; E327-F343 PolarHBondContact N-O 3.47Å; E327-F343 PolarHBondContact O-N 2.68Å; E327-R345 IonicContact OE1-CZ 3.53Å; E327-R345 IonicContact OE1-NE 3.39Å; E327-R345 PolarHBondContact OE1-NE 3.28Å; E327-R345 IonicContact OE1-NH2 3.7Å; E327-R345 PolarHBondContact OE1-NH2 2.97Å; E327-R345 IonicContact OE2-CZ 3.57Å; E327-R345 IonicContact OE2-NE 3.65Å; E327-R345 PolarHBondContact OE2-NE 3.09Å; E327-R345 IonicContact OE2-NH2 3.62Å; E327-R345 PolarHBondContact OE2-NH2 2.69Å
328V98.8Very high97.5Very high0 Ų050 Ų500%024%0.243CC..EExtended strand (participates in β ladder)trans-118.7123.9176.8-172.80000108.6L319 I320 L340 V341 F342 Y353 L360L319-V328 PolarHBondContact N-O 3.14Å; I320-V328 HydrophobicContact CB-CB 4.03Å; I320-V328 HydrophobicContact CB-CG2 4.12Å; I320-V328 HydrophobicContact CD1-CG2 4.43Å; I320-V328 HydrophobicContact CG1-CB 4.45Å; I320-V328 PolarHBondContact N-O 3.35Å; I320-V328 PolarHBondContact O-N 2.97Å; V328-L340 HydrophobicContact CG1-CD1 3.7Å; V328-L340 HydrophobicContact CG1-CG 4.14Å; V328-V341 WeakPolarHBondContact CA-O 3.39Å; V328-F342 HydrophobicContact CG1-CD1 4.25Å; V328-F342 HydrophobicContact CG1-CE1 4.3Å; V328-F342 HydrophobicContact CG2-CD1 3.94Å; V328-F342 HydrophobicContact CG2-CE1 4.39Å; V328-Y353 HydrophobicContact CG2-CE1 3.98Å; V328-L360 HydrophobicContact CG1-CD1 4.38Å; V328-L360 HydrophobicContact CG1-CD2 4.15Å
329F98.9Very high97.6Very high1 Ų148.5 Ų48.50%0.00424%0.237CC..EExtended strand (participates in β ladder)trans-115.2150.9177.5-51.3-95.5000110.9F235 L274 I277 R317 R318 E327 L340 V341 F343F235-F329 HydrophobicContact CB-CE1 4.26Å; F235-F329 AromaticContact CD1-CD1 3.79Å; F235-F329 HydrophobicContact CD1-CD1 3.79Å; F235-F329 AromaticContact CD1-CE1 3.77Å; F235-F329 HydrophobicContact CD1-CE1 3.77Å; F235-F329 HydrophobicContact CD2-CD1 4Å; F235-F329 AromaticContact CD2-CE1 3.29Å; F235-F329 HydrophobicContact CD2-CE1 3.29Å; F235-F329 HydrophobicContact CD2-CZ 4.05Å; F235-F329 AromaticContact CE1-CD1 3.51Å; F235-F329 HydrophobicContact CE1-CD1 3.51Å; F235-F329 AromaticContact CE1-CE1 3.84Å; F235-F329 HydrophobicContact CE1-CE1 3.84Å; F235-F329 AromaticContact CE2-CD1 3.75Å; F235-F329 HydrophobicContact CE2-CD1 3.75Å; F235-F329 AromaticContact CE2-CE1 3.39Å; F235-F329 HydrophobicContact CE2-CE1 3.39Å; F235-F329 HydrophobicContact CE2-CZ 4.1Å; F235-F329 HydrophobicContact CG-CD1 4.04Å; F235-F329 AromaticContact CG-CE1 3.51Å; F235-F329 HydrophobicContact CG-CE1 3.51Å; F235-F329 AromaticContact CZ-CD1 3.49Å; F235-F329 HydrophobicContact CZ-CD1 3.49Å; F235-F329 VanDerWaalsContact CZ-CD1 3.49Å; F235-F329 AromaticContact CZ-CE1 3.66Å; F235-F329 HydrophobicContact CZ-CE1 3.66Å; F235-F329 HydrophobicContact CZ-CG 4.38Å; L274-F329 HydrophobicContact CD2-CD1 4.37Å; L274-F329 HydrophobicContact CD2-CD2 3.63Å; L274-F329 HydrophobicContact CD2-CE1 4.29Å; L274-F329 HydrophobicContact CD2-CE2 3.52Å; L274-F329 HydrophobicContact CD2-CG 4.06Å; L274-F329 HydrophobicContact CD2-CZ 3.87Å; I277-F329 HydrophobicContact CG1-CB 4.38Å; I277-F329 HydrophobicContact CG2-CB 3.96Å; R317-F329 CarbonylContact O-C 3.59Å; R317-F329 WeakPolarHBondContact O-CA 3.48Å; R318-F329 HydrophobicContact CB-CD1 3.54Å; R318-F329 HydrophobicContact CB-CE1 3.54Å; R318-F329 HydrophobicContact CG-CD1 3.85Å; R318-F329 HydrophobicContact CG-CE1 3.61Å; R318-F329 HydrophobicContact CG-CZ 4.2Å; E327-F329 HydrophobicContact CB-CD2 4.5Å; E327-F329 HydrophobicContact CB-CE2 3.67Å; E327-F329 HydrophobicContact CB-CZ 3.86Å; E327-F329 VanDerWaalsContact OE2-CZ 3.27Å; E327-F329 WeakPolarHBondContact OE2-CZ 3.26Å; F329-L340 CarbonylContact O-C 3.51Å; F329-L340 WeakPolarHBondContact O-CA 3.39Å; F329-L340 WeakPolarHBondContact O-CD1 3.15Å; F329-V341 HydrophobicContact CB-CB 4.28Å; F329-V341 HydrophobicContact CD2-CB 4.42Å; F329-V341 HydrophobicContact CD2-CG1 4.26Å; F329-V341 PolarHBondContact N-O 2.86Å; F329-V341 PolarHBondContact O-N 2.73Å; F329-F343 HydrophobicContact CD2-CB 4.21Å; F329-F343 HydrophobicContact CE2-CB 3.68Å; F329-F343 AromaticContact CE2-CD1 3.9Å; F329-F343 HydrophobicContact CE2-CD1 3.9Å; F329-F343 HydrophobicContact CE2-CG 4.17Å; F329-F343 HydrophobicContact CZ-CD1 4.32Å
330W98.7Very high97.6Very high59 Ų5945.5 Ų45.522%0.22322%0.222CC..EExtended strand (participates in β ladder)trans-142.9138.5-174.2178.379.8000111.2G316 R317 L319 P332 S338 A339 L340 Y362G316-W330 CarbonylContact C-O 3.58Å; G316-W330 WeakPolarHBondContact CA-O 3.28Å; R317-W330 HydrophobicContact CG-CE3 4.47Å; R317-W330 PolarHBondContact N-O 3.4Å; R317-W330 PolarHBondContact O-N 2.97Å; L319-W330 HydrophobicContact CD1-CB 3.42Å; L319-W330 VanDerWaalsContact CD1-CB 3.42Å; L319-W330 HydrophobicContact CD1-CG 3.96Å; L319-W330 HydrophobicContact CD2-CB 4.21Å; L319-W330 HydrophobicContact CG-CB 3.67Å; W330-P332 HydrophobicContact CH2-CB 3.46Å; W330-P332 VanDerWaalsContact CH2-CB 3.46Å; W330-P332 HydrophobicContact CH2-CG 3.74Å; W330-P332 HydrophobicContact CZ2-CB 3.82Å; W330-P332 HydrophobicContact CZ2-CG 4.46Å; W330-P332 HydrophobicContact CZ3-CB 4.05Å; W330-P332 VanDerWaalsContact CZ3-CD 3.47Å; W330-P332 HydrophobicContact CZ3-CG 3.8Å; W330-S338 PolarHBondContact NE1-OG 2.76Å; W330-A339 VanDerWaalsContact CA-O 3.31Å; W330-A339 WeakPolarHBondContact CA-O 3.3Å; W330-L340 HydrophobicContact CB-CD1 4.16Å; W330-L340 HydrophobicContact CG-CD1 4.49Å; W330-Y362 AromaticContact CD1-CZ 3.92Å; W330-Y362 AromaticContact NE1-CZ 3.66Å; W330-Y362 PolarHBondContact NE1-OH 2.87Å; W330-Y362 VanDerWaalsContact NE1-OH 3.14Å
331R98.8Very high97.7Very high0 Ų043.4 Ų43.40%021%0.211CC..EExtended strand (participates in β ladder)trans-129.8125.1173-176.9178.6175-173.9-11.9109.3A276 I277 I307 N308 V314 L333 S338 A339A276-R331 WeakPolarHBondContact O-CD 3.49Å; A276-R331 PolarHBondContact O-NH1 2.94Å; I277-R331 HydrophobicContact CD1-CB 3.7Å; I277-R331 WeakPolarHBondContact O-CD 3.27Å; I307-R331 PolarHBondContact O-NH1 3.28Å; N308-R331 VanDerWaalsContact CA-NH1 3.34Å; N308-R331 PolarHBondContact O-NH1 3.15Å; N308-R331 PolarHBondContact O-NH2 3.01Å; N308-R331 VanDerWaalsContact O-NH2 3.13Å; V314-R331 WeakPolarHBondContact O-CG 3.16Å; V314-R331 PolarHBondContact O-NE 2.8Å; R331-L333 HydrophobicContact CG-CD2 4.02Å; R331-S338 CarbonylContact O-C 3.58Å; R331-S338 VanDerWaalsContact O-CA 3.23Å; R331-S338 WeakPolarHBondContact O-CA 3.16Å; R331-S338 VanDerWaalsContact O-CB 3.32Å; R331-S338 WeakPolarHBondContact O-CB 3.13Å; R331-A339 HydrophobicContact CB-CB 4.4Å; R331-A339 PolarHBondContact N-O 3.27Å; R331-A339 PolarHBondContact O-N 3.39Å
332P98.3Very high97.8Very high25 Ų2537.8 Ų37.816%0.16219%0.186CC..EExtended strand (participates in β ladder)trans-71.6143.116928.1-27.3000109.8V314 W330V314-P332 HydrophobicContact CB-CG 3.99Å; V314-P332 HydrophobicContact CG1-CG 3.54Å; W330-P332 HydrophobicContact CH2-CB 3.46Å; W330-P332 VanDerWaalsContact CH2-CB 3.46Å; W330-P332 HydrophobicContact CH2-CG 3.74Å; W330-P332 HydrophobicContact CZ2-CB 3.82Å; W330-P332 HydrophobicContact CZ2-CG 4.46Å; W330-P332 HydrophobicContact CZ3-CB 4.05Å; W330-P332 VanDerWaalsContact CZ3-CD 3.47Å; W330-P332 HydrophobicContact CZ3-CG 3.8Å
333L98.6Very high98Very high6 Ų634.3 Ų34.33%0.03117%0.17CC..  trans-126.5171.8179.3-53.4173.5000109.6I307 D310 R331 A337 A339 Y400I307-L333 HydrophobicContact CG1-CD1 3.98Å; I307-L333 HydrophobicContact CG2-CD1 4.44Å; I307-L333 HydrophobicContact CG2-CD2 4.16Å; D310-L333 HydrophobicContact CB-CD2 3.66Å; R331-L333 HydrophobicContact CG-CD2 4.02Å; L333-A337 HydrophobicContact CB-CB 4.17Å; L333-A337 PolarHBondContact N-O 3.34Å; L333-A339 HydrophobicContact CD1-CB 4.17Å; L333-Y400 HydrophobicContact CD1-CD2 3.81Å; L333-Y400 HydrophobicContact CD1-CE2 3.78Å
334S97.4Very high98.1Very high23 Ų2323.6 Ų23.616%0.16112%0.123CC..G310 helixtrans-54.7160.9173.8-54.10000111.8D310 P311 M312 K336 A337D310-S334 PolarHBondContact OD1-N 2.8Å; D310-S334 PolarHBondContact OD1-OG 2.75Å; D310-S334 WeakPolarHBondContact OD2-CB 3.39Å; D310-S334 PolarHBondContact OD2-N 3.07Å; D310-S334 PolarHBondContact OD2-OG 2.79Å; P311-S334 WeakPolarHBondContact CD-OG 3.34Å; P311-S334 WeakPolarHBondContact CG-OG 3.5Å; M312-S334 VanDerWaalsContact SD-CA 3.52Å; M312-S334 PolarHBondContact SD-N 2.81Å; M312-S334 VanDerWaalsContact SD-N 3.44Å; S334-K336 PolarHBondContact O-N 3.4Å; S334-K336 VanDerWaalsContact O-N 3.07Å; S334-A337 WeakPolarHBondContact O-CB 3.3Å; S334-A337 PolarHBondContact O-N 2.99Å
335D94.9Very high98.2Very high148 Ų14825.5 Ų25.579%0.79113%0.127SC*.G310 helixtrans5627.8179-55.5-41000114.2A337 A403D335-A337 PolarHBondContact O-N 2.92Å; D335-A403 WeakPolarHBondContact O-CB 3.39Å
336K94.5Very high98.2Very high180 Ų18027.5 Ų27.578%0.78313%0.129SC*.G310 helixtrans60.120.2-176.6-50173.2-178.51730113.6S334 A403S334-K336 PolarHBondContact O-N 3.4Å; S334-K336 VanDerWaalsContact O-N 3.07Å; K336-A403 HydrophobicContact CB-CB 4.02Å
337A97.7Very high98.2Very high5 Ų534 Ų344%0.04117%0.169CC..  trans-77.6174.1170.100000111L333 S334 D335 Y400 I401L333-A337 HydrophobicContact CB-CB 4.17Å; L333-A337 PolarHBondContact N-O 3.34Å; S334-A337 WeakPolarHBondContact O-CB 3.3Å; S334-A337 PolarHBondContact O-N 2.99Å; D335-A337 PolarHBondContact O-N 2.92Å; A337-Y400 HydrophobicContact CB-CE2 3.79Å; A337-Y400 WeakPolarHBondContact CB-OH 3.03Å; A337-I401 CarbonylContact C-O 3.59Å; A337-I401 VanDerWaalsContact CA-O 3.28Å; A337-I401 WeakPolarHBondContact CA-O 3.28Å; A337-I401 WeakPolarHBondContact CB-O 3.39Å
338S98.6Very high98.1Very high4 Ų438 Ų383%0.02819%0.19CC..EExtended strand (participates in β ladder)trans-155.1157.3173.3560000112.5W330 R331 Y362 I401W330-S338 PolarHBondContact NE1-OG 2.76Å; R331-S338 CarbonylContact O-C 3.58Å; R331-S338 VanDerWaalsContact O-CA 3.23Å; R331-S338 WeakPolarHBondContact O-CA 3.16Å; R331-S338 VanDerWaalsContact O-CB 3.32Å; R331-S338 WeakPolarHBondContact O-CB 3.13Å; S338-Y362 WeakPolarHBondContact OG-CE1 3.41Å; S338-Y362 PolarHBondContact OG-OH 2.87Å; S338-I401 PolarHBondContact N-O 2.83Å; S338-I401 PolarHBondContact O-N 3.03Å
339A98.8Very high98.1Very high0 Ų044 Ų440%022%0.22CC..EExtended strand (participates in β ladder)trans-102.5140.3165.900000110.3I277 I307 W330 R331 L333 M398 W399I277-A339 HydrophobicContact CD1-CB 3.83Å; I307-A339 HydrophobicContact CD1-CB 3.94Å; I307-A339 HydrophobicContact CG1-CB 4.21Å; I307-A339 HydrophobicContact CG2-CB 3.56Å; W330-A339 VanDerWaalsContact CA-O 3.31Å; W330-A339 WeakPolarHBondContact CA-O 3.3Å; R331-A339 HydrophobicContact CB-CB 4.4Å; R331-A339 PolarHBondContact N-O 3.27Å; R331-A339 PolarHBondContact O-N 3.39Å; L333-A339 HydrophobicContact CD1-CB 4.17Å; A339-M398 HydrophobicContact CB-CE 4.38Å; A339-W399 CarbonylContact C-O 3.37Å; A339-W399 VanDerWaalsContact CA-O 3.31Å; A339-W399 WeakPolarHBondContact CA-O 3.33Å
340L98.7Very high98.1Very high0 Ų047.1 Ų47.10%024%0.24CC..EExtended strand (participates in β ladder)trans-127.7128.6176.7-165.375.3000109.2V328 F329 W330 F342 L357 L360 Y362 M398 W399 I401V328-L340 HydrophobicContact CG1-CD1 3.7Å; V328-L340 HydrophobicContact CG1-CG 4.14Å; F329-L340 CarbonylContact O-C 3.51Å; F329-L340 WeakPolarHBondContact O-CA 3.39Å; F329-L340 WeakPolarHBondContact O-CD1 3.15Å; W330-L340 HydrophobicContact CB-CD1 4.16Å; W330-L340 HydrophobicContact CG-CD1 4.49Å; L340-F342 HydrophobicContact CD2-CE1 3.92Å; L340-F342 HydrophobicContact CD2-CE2 3.65Å; L340-F342 HydrophobicContact CD2-CZ 3.22Å; L340-F342 HydrophobicContact CG-CE2 4.2Å; L340-F342 HydrophobicContact CG-CZ 4.07Å; L340-L357 HydrophobicContact CD2-CD2 4.49Å; L340-L360 HydrophobicContact CD1-CD1 4.17Å; L340-L360 HydrophobicContact CD2-CD1 3.57Å; L340-L360 HydrophobicContact CG-CD1 4.47Å; L340-Y362 HydrophobicContact CD1-CE2 4.48Å; L340-M398 CarbonylContact O-C 3.53Å; L340-M398 WeakPolarHBondContact O-CA 3.34Å; L340-W399 HydrophobicContact CB-CB 4.48Å; L340-W399 HydrophobicContact CD2-CE3 4.43Å; L340-W399 PolarHBondContact N-O 3.19Å; L340-W399 PolarHBondContact O-N 2.87Å; L340-I401 HydrophobicContact CB-CD1 3.95Å; L340-I401 HydrophobicContact CD2-CD1 4.06Å
341V98.9Very high98.1Very high0 Ų047.8 Ų47.80%024%0.243CC..EExtended strand (participates in β ladder)trans-119.9121.3177.8172.10000108.9A273 L274 I277 V328 F329 F343 V396 V397 M398A273-V341 HydrophobicContact CB-CG1 4.25Å; A273-V341 HydrophobicContact CB-CG2 3.96Å; L274-V341 HydrophobicContact CD2-CG1 4.37Å; I277-V341 HydrophobicContact CD1-CG2 3.91Å; I277-V341 HydrophobicContact CG1-CB 4.21Å; I277-V341 HydrophobicContact CG1-CG2 3.54Å; V328-V341 WeakPolarHBondContact CA-O 3.39Å; F329-V341 HydrophobicContact CB-CB 4.28Å; F329-V341 HydrophobicContact CD2-CB 4.42Å; F329-V341 HydrophobicContact CD2-CG1 4.26Å; F329-V341 PolarHBondContact N-O 2.86Å; F329-V341 PolarHBondContact O-N 2.73Å; V341-F343 HydrophobicContact CG1-CB 4.44Å; V341-V396 HydrophobicContact CG1-CB 4.04Å; V341-V396 HydrophobicContact CG1-CG1 3.57Å; V341-V397 WeakPolarHBondContact CA-O 2.99Å; V341-M398 HydrophobicContact CG2-CB 4.06Å; V341-M398 HydrophobicContact CG2-CE 4.39Å; V341-M398 HydrophobicContact CG2-CG 3.7Å; V341-M398 HydrophobicContact CG2-SD 4.22Å
342F98.9Very high98Very high0 Ų056.2 Ų56.20%028%0.275CS..EExtended strand (participates in β ladder)trans-97.6114.4168.2-50.9-90.2000108.5V328 L340 Y353 L360 F387 V389 I391 V396 V397 W399V328-F342 HydrophobicContact CG1-CD1 4.25Å; V328-F342 HydrophobicContact CG1-CE1 4.3Å; V328-F342 HydrophobicContact CG2-CD1 3.94Å; V328-F342 HydrophobicContact CG2-CE1 4.39Å; L340-F342 HydrophobicContact CD2-CE1 3.92Å; L340-F342 HydrophobicContact CD2-CE2 3.65Å; L340-F342 HydrophobicContact CD2-CZ 3.22Å; L340-F342 HydrophobicContact CG-CE2 4.2Å; L340-F342 HydrophobicContact CG-CZ 4.07Å; F342-Y353 AromaticContact CD1-CD1 3.7Å; F342-Y353 HydrophobicContact CD1-CD1 3.7Å; F342-Y353 AromaticContact CD1-CE1 3.82Å; F342-Y353 HydrophobicContact CD1-CE1 3.82Å; F342-Y353 HydrophobicContact CE1-CD1 4.03Å; F342-Y353 AromaticContact CE1-CE1 3.95Å; F342-Y353 HydrophobicContact CE1-CE1 3.95Å; F342-L360 HydrophobicContact CE1-CD1 4.24Å; F342-L360 HydrophobicContact CZ-CD1 4.45Å; F342-F387 AromaticContact CE1-CE2 3.99Å; F342-F387 HydrophobicContact CE1-CE2 3.99Å; F342-F387 HydrophobicContact CE1-CZ 4.23Å; F342-F387 HydrophobicContact CE2-CE2 4.47Å; F342-F387 AromaticContact CZ-CE2 3.59Å; F342-F387 HydrophobicContact CZ-CE2 3.59Å; F342-F387 AromaticContact CZ-CZ 3.79Å; F342-F387 HydrophobicContact CZ-CZ 3.79Å; F342-V389 HydrophobicContact CB-CG2 4.17Å; F342-V389 HydrophobicContact CD1-CG2 4.05Å; F342-V389 HydrophobicContact CD2-CG1 4.19Å; F342-V389 HydrophobicContact CD2-CG2 4.08Å; F342-V389 HydrophobicContact CE1-CG2 4.43Å; F342-V389 HydrophobicContact CE2-CG1 4.02Å; F342-V389 HydrophobicContact CE2-CG2 4.45Å; F342-V389 HydrophobicContact CG-CG2 3.85Å; F342-V389 HydrophobicContact CZ-CG1 4.45Å; F342-I391 HydrophobicContact CB-CD1 3.51Å; F342-I391 HydrophobicContact CB-CG1 4.16Å; F342-V396 CarbonylContact O-C 3.46Å; F342-V396 WeakPolarHBondContact O-CA 3.4Å; F342-V397 HydrophobicContact CD2-CB 4.26Å; F342-V397 HydrophobicContact CD2-CG1 4.31Å; F342-V397 PolarHBondContact N-O 3.25Å; F342-V397 PolarHBondContact O-N 3.2Å; F342-W399 AromaticContact CE2-CD2 3.9Å; F342-W399 HydrophobicContact CE2-CD2 3.9Å; F342-W399 AromaticContact CE2-CE3 3.74Å; F342-W399 HydrophobicContact CE2-CE3 3.74Å; F342-W399 HydrophobicContact CE2-CG 4.49Å; F342-W399 HydrophobicContact CE2-CH2 4.37Å; F342-W399 AromaticContact CE2-CZ3 3.98Å; F342-W399 HydrophobicContact CE2-CZ3 3.98Å; F342-W399 HydrophobicContact CZ-CE3 4.15Å; F342-W399 HydrophobicContact CZ-CZ3 4.07Å
343F98.9Very high98Very high1 Ų155.6 Ų55.60%0.00427%0.269CS..EExtended strand (participates in β ladder)trans-114.2135.4-174.3172.5-127.3000110.8W224 L228 I326 E327 F329 V341 R345 G395 V396W224-F343 AromaticContact CH2-CE2 3.72Å; W224-F343 HydrophobicContact CH2-CE2 3.72Å; W224-F343 AromaticContact CH2-CZ 3.84Å; W224-F343 HydrophobicContact CH2-CZ 3.84Å; W224-F343 AromaticContact CZ2-CE2 3.71Å; W224-F343 HydrophobicContact CZ2-CE2 3.71Å; W224-F343 AromaticContact CZ2-CZ 3.62Å; W224-F343 HydrophobicContact CZ2-CZ 3.62Å; L228-F343 HydrophobicContact CD2-CE1 3.99Å; L228-F343 HydrophobicContact CD2-CZ 3.64Å; I326-F343 WeakPolarHBondContact CA-O 3.1Å; E327-F343 HydrophobicContact CB-CD1 4.27Å; E327-F343 PolarHBondContact N-O 3.47Å; E327-F343 PolarHBondContact O-N 2.68Å; F329-F343 HydrophobicContact CD2-CB 4.21Å; F329-F343 HydrophobicContact CE2-CB 3.68Å; F329-F343 AromaticContact CE2-CD1 3.9Å; F329-F343 HydrophobicContact CE2-CD1 3.9Å; F329-F343 HydrophobicContact CE2-CG 4.17Å; F329-F343 HydrophobicContact CZ-CD1 4.32Å; V341-F343 HydrophobicContact CG1-CB 4.44Å; F343-R345 HydrophobicContact CD1-CG 4.14Å; F343-R345 HydrophobicContact CE1-CG 3.54Å; F343-R345 HydrophobicContact CZ-CG 4.12Å; F343-G395 WeakPolarHBondContact CD2-O 3.49Å; F343-V396 HydrophobicContact CB-CG1 4Å; F343-V396 HydrophobicContact CD2-CG1 3.76Å; F343-V396 HydrophobicContact CG-CG1 4.31Å
344S98.8Very high98Very high0 Ų061.2 Ų61.20%030%0.295CS..EExtended strand (participates in β ladder)trans-104.6115.9176.5-176.90000111.4R346 N392 S394 G395S344-R346 PolarHBondContact O-N 2.73Å; S344-R346 WeakPolarHBondContact OG-CB 3.35Å; S344-R346 WeakPolarHBondContact OG-CG 3.06Å; S344-R346 PolarHBondContact OG-N 2.7Å; S344-N392 VanDerWaalsContact CB-O 3.25Å; S344-N392 WeakPolarHBondContact CB-O 3.31Å; S344-S394 VanDerWaalsContact O-CA 3.24Å; S344-S394 WeakPolarHBondContact O-CA 3.45Å; S344-S394 PolarHBondContact O-N 3.43Å; S344-S394 VanDerWaalsContact O-N 3.07Å; S344-G395 PolarHBondContact N-O 3.05Å
345R98.4Very high97.9Very high61 Ų6160.2 Ų60.223%0.2329%0.288CS..  trans-79.7-0.4165.6-66.2-163.8176.5-101-9.1113.7D232 G325 E327 F343D232-R345 VanDerWaalsContact CG-NH2 3.34Å; D232-R345 IonicContact OD1-CZ 3.5Å; D232-R345 IonicContact OD1-NH1 2.7Å; D232-R345 PolarHBondContact OD1-NH1 3.12Å; D232-R345 IonicContact OD1-NH2 3.01Å; D232-R345 PolarHBondContact OD1-NH2 2.82Å; D232-R345 IonicContact OD2-CZ 2.63Å; D232-R345 IonicContact OD2-NH1 2.75Å; D232-R345 PolarHBondContact OD2-NH1 2.69Å; D232-R345 IonicContact OD2-NH2 2.66Å; G325-R345 WeakPolarHBondContact O-CB 3.29Å; G325-R345 PolarHBondContact O-N 3.42Å; E327-R345 IonicContact OE1-CZ 3.53Å; E327-R345 IonicContact OE1-NE 3.39Å; E327-R345 PolarHBondContact OE1-NE 3.28Å; E327-R345 IonicContact OE1-NH2 3.7Å; E327-R345 PolarHBondContact OE1-NH2 2.97Å; E327-R345 IonicContact OE2-CZ 3.57Å; E327-R345 IonicContact OE2-NE 3.65Å; E327-R345 PolarHBondContact OE2-NE 3.09Å; E327-R345 IonicContact OE2-NH2 3.62Å; E327-R345 PolarHBondContact OE2-NH2 2.69Å; F343-R345 HydrophobicContact CD1-CG 4.14Å; F343-R345 HydrophobicContact CE1-CG 3.54Å; F343-R345 HydrophobicContact CZ-CG 4.12Å
346R98.4Very high98Very high63 Ų6353.6 Ų53.624%0.23825%0.254CS..  trans-69.8155.7-179.2-52.1176.562.586.4-2.3110.1S324 S344 D348 P393 S394S324-R346 WeakPolarHBondContact O-CD 3.45Å; S324-R346 WeakPolarHBondContact O-CG 3.25Å; S324-R346 PolarHBondContact O-NH1 3.26Å; S344-R346 PolarHBondContact O-N 2.73Å; S344-R346 WeakPolarHBondContact OG-CB 3.35Å; S344-R346 WeakPolarHBondContact OG-CG 3.06Å; S344-R346 PolarHBondContact OG-N 2.7Å; R346-D348 WeakPolarHBondContact CB-OD1 3.11Å; R346-D348 IonicContact CZ-OD1 3.42Å; R346-D348 IonicContact CZ-OD2 3.55Å; R346-D348 IonicContact NE-OD1 3.33Å; R346-D348 PolarHBondContact NE-OD1 3.04Å; R346-D348 IonicContact NE-OD2 3.34Å; R346-D348 IonicContact NH2-OD1 3.66Å; R346-D348 PolarHBondContact NH2-OD1 3.1Å; R346-D348 IonicContact NH2-OD2 2.64Å; R346-D348 PolarHBondContact NH2-OD2 3.1Å; R346-P393 VanDerWaalsContact O-CA 3.29Å; R346-P393 WeakPolarHBondContact O-CA 3.38Å; R346-P393 VanDerWaalsContact O-CB 3.27Å; R346-P393 WeakPolarHBondContact O-CB 3.15Å; R346-S394 PolarHBondContact O-N 2.84Å
347T97.9Very high98.1Very high136 Ų13645 Ų4583%0.83422%0.217SC*.SBendtrans-12620-179.5610000112
348D97.8Very high98Very high86 Ų8646.2 Ų46.246%0.4623%0.229SC..SBendtrans-107.8-82.9-17664.1-24.6000112.5R346R346-D348 WeakPolarHBondContact CB-OD1 3.11Å; R346-D348 IonicContact CZ-OD1 3.42Å; R346-D348 IonicContact CZ-OD2 3.55Å; R346-D348 IonicContact NE-OD1 3.33Å; R346-D348 PolarHBondContact NE-OD1 3.04Å; R346-D348 IonicContact NE-OD2 3.34Å; R346-D348 IonicContact NH2-OD1 3.66Å; R346-D348 PolarHBondContact NH2-OD1 3.1Å; R346-D348 IonicContact NH2-OD2 2.64Å; R346-D348 PolarHBondContact NH2-OD2 3.1Å
349M97.8Very high97.9Very high126 Ų12651.9 Ų51.962%0.62126%0.255SS*.SBendtrans-148171.2-174.572.3176.3-177.400111.2Y351M349-Y351 PolarHBondContact O-N 3.2Å
350P98.5Very high97.7Very high66 Ų6652.2 Ų52.243%0.42926%0.257SS..  trans-54.3130.1177.7-26.735.8000112.2I391 N392P350-I391 CarbonylContact C-O 3.53Å; P350-I391 WeakPolarHBondContact CA-O 3.32Å; P350-N392 WeakPolarHBondContact CG-OD1 3.3Å
351Y98.6Very high97.5Very high74 Ų7459.3 Ų59.329%0.2930%0.295SS..EExtended strand (participates in β ladder)trans-106.5130.3-177.9-171.3-96000110.8I326 M349 Y353 S390 I391I326-Y351 HydrophobicContact CD1-CD1 3.81Å; I326-Y351 HydrophobicContact CD1-CG 4.31Å; I326-Y351 HydrophobicContact CG1-CD1 3.65Å; I326-Y351 HydrophobicContact CG1-CE1 3.88Å; M349-Y351 PolarHBondContact O-N 3.2Å; Y351-Y353 HydrophobicContact CE1-CD2 4.27Å; Y351-Y353 PolarHBondContact O-N 3.33Å; Y351-S390 WeakPolarHBondContact O-CA 3.44Å; Y351-I391 PolarHBondContact N-O 2.68Å; Y351-I391 PolarHBondContact O-N 2.02Å
352R98.3Very high97.3Very high177 Ų17760.7 Ų60.767%0.66830%0.3SS*.EExtended strand (participates in β ladder)trans-88.393.6176.6-66.2-175.670.795.62109.2V388 V389R352-V388 HydrophobicContact CB-CG1 3.8Å; R352-V388 HydrophobicContact CG-CG1 4.35Å; R352-V389 CarbonylContact C-O 3.59Å; R352-V389 WeakPolarHBondContact CA-O 3.4Å
353Y98.1Very high97.1Very high11 Ų1165.2 Ų65.24%0.04333%0.328CS..EExtended strand (participates in β ladder)trans-83.5126.1177.4-176.4-116.4000110.4E322 I326 V328 F342 Y351 A355 V388 V389E322-Y353 VanDerWaalsContact CD-CE2 3.47Å; E322-Y353 WeakPolarHBondContact OE1-CE2 3.35Å; E322-Y353 PolarHBondContact OE1-OH 2.04Å; E322-Y353 WeakPolarHBondContact OE2-CE2 3.45Å; I326-Y353 HydrophobicContact CB-CD2 4.17Å; I326-Y353 HydrophobicContact CB-CE2 4.4Å; I326-Y353 HydrophobicContact CG1-CD2 4.1Å; I326-Y353 HydrophobicContact CG1-CG 4.47Å; I326-Y353 HydrophobicContact CG2-CD1 4.22Å; I326-Y353 HydrophobicContact CG2-CD2 3.95Å; I326-Y353 HydrophobicContact CG2-CE1 4.39Å; I326-Y353 HydrophobicContact CG2-CE2 4.16Å; I326-Y353 HydrophobicContact CG2-CG 3.98Å; V328-Y353 HydrophobicContact CG2-CE1 3.98Å; F342-Y353 AromaticContact CD1-CD1 3.7Å; F342-Y353 HydrophobicContact CD1-CD1 3.7Å; F342-Y353 AromaticContact CD1-CE1 3.82Å; F342-Y353 HydrophobicContact CD1-CE1 3.82Å; F342-Y353 HydrophobicContact CE1-CD1 4.03Å; F342-Y353 AromaticContact CE1-CE1 3.95Å; F342-Y353 HydrophobicContact CE1-CE1 3.95Å; Y351-Y353 HydrophobicContact CE1-CD2 4.27Å; Y351-Y353 PolarHBondContact O-N 3.33Å; Y353-A355 HydrophobicContact CD1-CB 4.35Å; Y353-A355 HydrophobicContact CE1-CB 3.76Å; Y353-V388 CarbonylContact O-C 3.55Å; Y353-V388 VanDerWaalsContact O-CA 3.28Å; Y353-V388 WeakPolarHBondContact O-CA 3.16Å; Y353-V389 HydrophobicContact CD1-CG2 3.99Å; Y353-V389 HydrophobicContact CG-CG2 4.39Å; Y353-V389 PolarHBondContact N-O 3.47Å; Y353-V389 PolarHBondContact O-N 3.43Å
354Q97.5Very high96.9Very high125 Ų12569.8 Ų69.858%0.58436%0.356SS*.EExtended strand (participates in β ladder)trans-108.3129179.8-176.1174.3900110F387 V388Q354-F387 WeakPolarHBondContact CA-O 3.44Å; Q354-V388 HydrophobicContact CB-CG2 4.31Å; Q354-V388 HydrophobicContact CG-CG2 4.29Å
355A96.8Very high96.6Very high1 Ų169.9 Ų69.91%0.00836%0.357CS..EExtended strand (participates in β ladder)trans-153.5177.417900000111.4Y353 N386 F387Y353-A355 HydrophobicContact CD1-CB 4.35Å; Y353-A355 HydrophobicContact CE1-CB 3.76Å; A355-N386 WeakPolarHBondContact O-CA 3.43Å; A355-F387 HydrophobicContact CB-CE1 4.46Å; A355-F387 HydrophobicContact CB-CE2 3.91Å; A355-F387 HydrophobicContact CB-CZ 3.78Å; A355-F387 PolarHBondContact N-O 2.99Å; A355-F387 VanDerWaalsContact N-O 3.16Å; A355-F387 WeakPolarHBondContact O-CD1 3.46Å; A355-F387 PolarHBondContact O-N 2.7Å
356S96.9Very high96.5Very high10 Ų1068.7 Ų68.77%0.0736%0.358CS..EExtended strand (participates in β ladder)trans-132.415816372.80000110.2G358 Q359 L360 T385S356-G358 PolarHBondContact O-N 3.27Å; S356-Q359 WeakPolarHBondContact O-CB 3.5Å; S356-Q359 PolarHBondContact O-N 2.99Å; S356-Q359 WeakPolarHBondContact OG-CG 3.14Å; S356-Q359 PolarHBondContact OG-N 3.39Å; S356-L360 PolarHBondContact O-N 3.19Å; S356-T385 WeakPolarHBondContact CB-O 3.47Å
357L96.9Very high96.4Very high0 Ų065.9 Ų65.90%035%0.347CS..THydrogen-bonded Turntrans-66.4-31.2179.2-63.7175.1000111.2L340 Q359 L360 N361 Y362 Y367 L381 D383 F387 I401L340-L357 HydrophobicContact CD2-CD2 4.49Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 3.11Å; L357-L360 CarbonylContact O-C 3.59Å; L357-L360 WeakPolarHBondContact O-CA 3.44Å; L357-L360 WeakPolarHBondContact O-CB 3.39Å; L357-L360 PolarHBondContact O-N 2.64Å; L357-N361 PolarHBondContact O-N 3.37Å; L357-Y362 HydrophobicContact CB-CD2 4.12Å; L357-Y362 HydrophobicContact CB-CG 4Å; L357-Y362 HydrophobicContact CD2-CD2 4.25Å; L357-Y362 HydrophobicContact CD2-CE2 4.23Å; L357-Y362 WeakPolarHBondContact O-CB 3.45Å; L357-Y362 WeakPolarHBondContact O-CD2 3.09Å; L357-Y362 PolarHBondContact O-N 3.13Å; L357-Y367 HydrophobicContact CD1-CD2 3.58Å; L357-Y367 HydrophobicContact CD1-CE2 4.3Å; L357-Y367 HydrophobicContact CD1-CG 3.8Å; L357-L381 HydrophobicContact CD1-CB 4.35Å; L357-D383 PolarHBondContact N-O 3.33Å; L357-F387 HydrophobicContact CD2-CE1 4.11Å; L357-F387 HydrophobicContact CG-CE1 4.13Å; L357-I401 HydrophobicContact CD2-CD1 3.87Å
358G95.2Very high96.4Very high29 Ų2966.5 Ų66.530%0.29934%0.339SS..G310 helixtrans-62.5-36173.400000113.1S356 L360 N361 D383S356-G358 PolarHBondContact O-N 3.27Å; G358-L360 PolarHBondContact O-N 3.12Å; G358-N361 PolarHBondContact O-N 2.94Å; G358-D383 PolarHBondContact N-O 3.41Å
359Q95.4Very high96.4Very high123 Ų12362.7 Ų62.758%0.57532%0.318SS*.G310 helixtrans-66.8-22.6171.9-72.4171.1-25.300112.8S356 L357 N361S356-Q359 WeakPolarHBondContact O-CB 3.5Å; S356-Q359 PolarHBondContact O-N 2.99Å; S356-Q359 WeakPolarHBondContact OG-CG 3.14Å; S356-Q359 PolarHBondContact OG-N 3.39Å; L357-Q359 VanDerWaalsContact C-N 3.33Å; L357-Q359 PolarHBondContact O-N 3.11Å; Q359-N361 VanDerWaalsContact C-N 3.3Å
360L95.4Very high96.4Very high8 Ų859.7 Ų59.74%0.04230%0.3CS..G310 helixtrans-94.817.8176.6-56.9178.3000112.4I320 V328 L340 F342 S356 L357 G358 Y362 F387I320-L360 HydrophobicContact CD1-CD2 3.39Å; I320-L360 HydrophobicContact CG1-CD2 4.46Å; V328-L360 HydrophobicContact CG1-CD1 4.38Å; V328-L360 HydrophobicContact CG1-CD2 4.15Å; L340-L360 HydrophobicContact CD1-CD1 4.17Å; L340-L360 HydrophobicContact CD2-CD1 3.57Å; L340-L360 HydrophobicContact CG-CD1 4.47Å; F342-L360 HydrophobicContact CE1-CD1 4.24Å; F342-L360 HydrophobicContact CZ-CD1 4.45Å; S356-L360 PolarHBondContact O-N 3.19Å; L357-L360 CarbonylContact O-C 3.59Å; L357-L360 WeakPolarHBondContact O-CA 3.44Å; L357-L360 WeakPolarHBondContact O-CB 3.39Å; L357-L360 PolarHBondContact O-N 2.64Å; G358-L360 PolarHBondContact O-N 3.12Å; L360-Y362 VanDerWaalsContact C-N 3.29Å; L360-Y362 HydrophobicContact CB-CD2 3.97Å; L360-Y362 HydrophobicContact CB-CE2 4.11Å; L360-Y362 PolarHBondContact O-N 2.86Å; L360-F387 HydrophobicContact CD1-CZ 4.39Å
361N94.3Very high96.4Very high148 Ų14857.4 Ų57.479%0.79128%0.284SS*.THydrogen-bonded Turntrans62.725.3178.4-57.8-40.7000115.4L357 G358 Q359L357-N361 PolarHBondContact O-N 3.37Å; G358-N361 PolarHBondContact O-N 2.94Å; Q359-N361 VanDerWaalsContact C-N 3.3Å
362Y95.1Very high96.4Very high29 Ų2953.9 Ų53.911%0.11427%0.271CS..PPolyproline II helixtrans-71.8145.9166.7-75.4-109.3000110.1W330 S338 L340 L357 L360 Y367 I401W330-Y362 AromaticContact CD1-CZ 3.92Å; W330-Y362 AromaticContact NE1-CZ 3.66Å; W330-Y362 PolarHBondContact NE1-OH 2.87Å; W330-Y362 VanDerWaalsContact NE1-OH 3.14Å; S338-Y362 WeakPolarHBondContact OG-CE1 3.41Å; S338-Y362 PolarHBondContact OG-OH 2.87Å; L340-Y362 HydrophobicContact CD1-CE2 4.48Å; L357-Y362 HydrophobicContact CB-CD2 4.12Å; L357-Y362 HydrophobicContact CB-CG 4Å; L357-Y362 HydrophobicContact CD2-CD2 4.25Å; L357-Y362 HydrophobicContact CD2-CE2 4.23Å; L357-Y362 WeakPolarHBondContact O-CB 3.45Å; L357-Y362 WeakPolarHBondContact O-CD2 3.09Å; L357-Y362 PolarHBondContact O-N 3.13Å; L360-Y362 VanDerWaalsContact C-N 3.29Å; L360-Y362 HydrophobicContact CB-CD2 3.97Å; L360-Y362 HydrophobicContact CB-CE2 4.11Å; L360-Y362 PolarHBondContact O-N 2.86Å; Y362-Y367 HydrophobicContact CD1-CD1 4.28Å; Y362-Y367 AromaticContact CD1-CE1 3.75Å; Y362-Y367 HydrophobicContact CD1-CE1 3.75Å; Y362-Y367 AromaticContact CD1-CZ 3.94Å; Y362-Y367 HydrophobicContact CE1-CE1 4.48Å; Y362-I401 HydrophobicContact CE1-CD1 4.28Å; Y362-I401 HydrophobicContact CE1-CG2 4.06Å
363T93.7Very high96.5Very high95 Ų9547.1 Ų47.158%0.58325%0.246SC*.PPolyproline II helixtrans-67.9159.5176.4480000111.6G365 Y367T363-G365 PolarHBondContact O-N 3.14Å; T363-Y367 PolarHBondContact N-OH 2.72Å; T363-Y367 PolarHBondContact O-OH 2.76Å; T363-Y367 PolarHBondContact OG1-OH 3.27Å; T363-Y367 VanDerWaalsContact OG1-OH 3.12Å
364T94.1Very high96.4Very high97 Ų9749 Ų4960%0.59526%0.264SS*.SBendtrans-59.1129.2175.7-60.90000111.5D383T364-D383 VanDerWaalsContact CA-CG 3.49Å
365G93.7Very high96.4Very high2 Ų248.1 Ų48.12%0.02126%0.26CS..SBendtrans163.6179.9-173.500000114.3T363 K382 D383T363-G365 PolarHBondContact O-N 3.14Å; G365-K382 CarbonylContact O-C 3.59Å; G365-K382 VanDerWaalsContact O-CA 3.3Å; G365-K382 WeakPolarHBondContact O-CA 3.48Å; G365-D383 PolarHBondContact N-OD1 3.11Å; G365-D383 PolarHBondContact O-N 3.07Å
366S95.6Very high96.5Very high36 Ų3654.9 Ų54.925%0.25229%0.285SS..EExtended strand (participates in β ladder)trans-114.2133.6173.8-56.70000110.2L381 P404 A405S366-L381 CarbonylContact C-O 3.54Å; S366-L381 WeakPolarHBondContact CA-O 3.42Å; S366-P404 CarbonylContact O-C 3.56Å; S366-P404 WeakPolarHBondContact O-CA 3.44Å; S366-A405 PolarHBondContact O-N 3.02Å
367Y96.9Very high96.5Very high4 Ų462.4 Ų62.42%0.01632%0.319CS..EExtended strand (participates in β ladder)trans-122.3132.8-169.8-62.9-91.6000111.1L357 Y362 T363 T380 L381 D383 I401 S402 P404L357-Y367 HydrophobicContact CD1-CD2 3.58Å; L357-Y367 HydrophobicContact CD1-CE2 4.3Å; L357-Y367 HydrophobicContact CD1-CG 3.8Å; Y362-Y367 HydrophobicContact CD1-CD1 4.28Å; Y362-Y367 AromaticContact CD1-CE1 3.75Å; Y362-Y367 HydrophobicContact CD1-CE1 3.75Å; Y362-Y367 AromaticContact CD1-CZ 3.94Å; Y362-Y367 HydrophobicContact CE1-CE1 4.48Å; T363-Y367 PolarHBondContact N-OH 2.72Å; T363-Y367 PolarHBondContact O-OH 2.76Å; T363-Y367 PolarHBondContact OG1-OH 3.27Å; T363-Y367 VanDerWaalsContact OG1-OH 3.12Å; Y367-T380 WeakPolarHBondContact O-CA 3.35Å; Y367-T380 WeakPolarHBondContact O-CG2 3.35Å; Y367-L381 PolarHBondContact N-O 2.92Å; Y367-L381 PolarHBondContact O-N 3.11Å; Y367-D383 HydrophobicContact CE2-CB 4.27Å; Y367-I401 HydrophobicContact CD1-CG2 3.74Å; Y367-I401 HydrophobicContact CG-CG2 4.1Å; Y367-S402 WeakPolarHBondContact CD1-O 3.36Å; Y367-P404 HydrophobicContact CD1-CB 4.36Å; Y367-P404 HydrophobicContact CE1-CB 3.74Å; Y367-P404 HydrophobicContact CE1-CG 4.12Å; Y367-P404 HydrophobicContact CE2-CB 4.35Å
368K97.4Very high96.5Very high150 Ų15064.9 Ų64.965%0.65233%0.332SS*.EExtended strand (participates in β ladder)trans-83.3139.7166.6-63.2-177.3-179.5-179.60108.8I401 S402K368-I401 WeakPolarHBondContact O-CA 3.41Å; K368-S402 PolarHBondContact N-OG 3.27Å; K368-S402 PolarHBondContact O-N 2.91Å
369I97.9Very high96.4Very high6 Ų668.2 Ų68.23%0.03135%0.348CS..EExtended strand (participates in β ladder)trans-130.2133.6-174-57.8179.7000108.6M378 L381 W399 Y400 I401I369-M378 HydrophobicContact CB-CB 4.02Å; I369-M378 HydrophobicContact CG2-CB 4.04Å; I369-M378 HydrophobicContact CG2-CG 4.18Å; I369-M378 PolarHBondContact O-N 3.08Å; I369-L381 HydrophobicContact CD1-CB 4.03Å; I369-L381 HydrophobicContact CD1-CD1 3.4Å; I369-L381 VanDerWaalsContact CD1-CD1 3.4Å; I369-L381 HydrophobicContact CD1-CG 3.66Å; I369-W399 HydrophobicContact CD1-CE3 4.01Å; I369-W399 HydrophobicContact CD1-CZ3 3.93Å; I369-W399 HydrophobicContact CG2-CB 3.95Å; I369-W399 HydrophobicContact CG2-CD2 3.55Å; I369-W399 HydrophobicContact CG2-CE3 3.81Å; I369-W399 HydrophobicContact CG2-CG 3.64Å; I369-W399 HydrophobicContact CG2-CZ3 4.49Å; I369-Y400 WeakPolarHBondContact CA-O 3.32Å; I369-I401 HydrophobicContact CG1-CG1 4.29Å; I369-I401 HydrophobicContact CG1-CG2 4.46Å
370Y98.6Very high96.4Very high63 Ų6366.6 Ų66.625%0.24735%0.346CS..EExtended strand (participates in β ladder)trans-119.3125.6170.9-174.1-88.2000109V303 V372 E375 E377 W399 Y400V303-Y370 HydrophobicContact CB-CE1 4.37Å; V303-Y370 HydrophobicContact CG1-CD1 4.2Å; V303-Y370 HydrophobicContact CG1-CE1 4.48Å; V303-Y370 HydrophobicContact CG2-CD1 4.19Å; V303-Y370 HydrophobicContact CG2-CE1 3.76Å; Y370-V372 PolarHBondContact O-N 2.78Å; Y370-E375 VanDerWaalsContact OH-C 3.28Å; Y370-E375 VanDerWaalsContact OH-CA 3.26Å; Y370-E375 WeakPolarHBondContact OH-CA 3.32Å; Y370-E377 HydrophobicContact CD2-CG 4.07Å; Y370-W399 WeakPolarHBondContact O-CA 3.25Å; Y370-Y400 PolarHBondContact N-O 2.02Å; Y370-Y400 PolarHBondContact O-N 2.95Å
371D98.7Very high96.4Very high17 Ų1767.3 Ų67.39%0.09135%0.35CS..EExtended strand (participates in β ladder)trans-82.3114.4173.9-169.6-47000109.4F373 A374 E375 R376 M378 W399D371-F373 PolarHBondContact OD1-N 2.83Å; D371-A374 HydrophobicContact CB-CB 3.96Å; D371-A374 WeakPolarHBondContact OD1-CB 3.49Å; D371-A374 PolarHBondContact OD1-N 3.14Å; D371-E375 WeakPolarHBondContact O-CA 3.24Å; D371-E375 PolarHBondContact O-N 2.9Å; D371-R376 HydrophobicContact CB-CG 4.42Å; D371-R376 PolarHBondContact N-O 3.35Å; D371-R376 PolarHBondContact O-N 2.9Å; D371-M378 HydrophobicContact CB-CG 4.09Å; D371-M378 HydrophobicContact CB-SD 4.29Å; D371-W399 PolarHBondContact OD2-NE1 2.74Å
372V98.8Very high96.5Very high0 Ų066 Ų660%034%0.338CS..THydrogen-bonded Turntrans-66.3-43.8-167175.20000112N301 V303 A304 I307 Y370 E375 M398N301-V372 PolarHBondContact ND2-O 2.75Å; N301-V372 WeakPolarHBondContact OD1-CG1 3.43Å; V303-V372 HydrophobicContact CB-CG1 4.23Å; V303-V372 HydrophobicContact CB-CG2 4.47Å; V303-V372 HydrophobicContact CG1-CG1 4.41Å; V303-V372 HydrophobicContact CG1-CG2 3.81Å; A304-V372 HydrophobicContact CB-CG1 3.88Å; I307-V372 HydrophobicContact CD1-CG2 3.96Å; Y370-V372 PolarHBondContact O-N 2.78Å; V372-E375 WeakPolarHBondContact O-CG 3.13Å; V372-M398 HydrophobicContact CB-CB 4.1Å; V372-M398 HydrophobicContact CB-CG 3.98Å; V372-M398 WeakPolarHBondContact CB-O 3.26Å; V372-M398 HydrophobicContact CB-SD 4.25Å; V372-M398 HydrophobicContact CG1-CG 4.46Å; V372-M398 HydrophobicContact CG1-SD 4.07Å; V372-M398 HydrophobicContact CG2-CB 4.35Å; V372-M398 HydrophobicContact CG2-CG 3.8Å; V372-M398 WeakPolarHBondContact CG2-O 3.38Å; V372-M398 HydrophobicContact CG2-SD 4.29Å; V372-M398 PolarHBondContact N-O 2.88Å
373F98.4Very high96.4Very high35 Ų3565.8 Ų65.815%0.15434%0.338CS..THydrogen-bonded Turntrans-96.5-19.1-176.7-64.7-59.3000113.7R269 M272 A273 I298 D371 E375 V396 M398R269-F373 HydrophobicContact CB-CD2 4.13Å; R269-F373 HydrophobicContact CB-CE1 4.44Å; R269-F373 HydrophobicContact CB-CE2 3.91Å; R269-F373 HydrophobicContact CB-CG 4.48Å; R269-F373 HydrophobicContact CB-CZ 4.08Å; R269-F373 HydrophobicContact CG-CD1 4.12Å; R269-F373 HydrophobicContact CG-CD2 4.3Å; R269-F373 HydrophobicContact CG-CE1 4.23Å; R269-F373 HydrophobicContact CG-CE2 4.4Å; R269-F373 HydrophobicContact CG-CG 4.16Å; R269-F373 HydrophobicContact CG-CZ 4.37Å; M272-F373 HydrophobicContact CB-CZ 4.3Å; M272-F373 HydrophobicContact CG-CZ 4.38Å; A273-F373 HydrophobicContact CB-CE2 3.99Å; A273-F373 HydrophobicContact CB-CZ 4.33Å; I298-F373 HydrophobicContact CG2-CE1 4.3Å; D371-F373 PolarHBondContact OD1-N 2.83Å; F373-E375 VanDerWaalsContact C-N 3.26Å; F373-V396 HydrophobicContact CD2-CG2 4.17Å; F373-V396 HydrophobicContact CE2-CG2 3.82Å; F373-M398 HydrophobicContact CD2-CB 4.07Å; F373-M398 HydrophobicContact CE2-CB 3.98Å; F373-M398 HydrophobicContact CE2-SD 4.19Å; F373-M398 HydrophobicContact CZ-SD 4.43Å
374A97.7Very high96.6Very high51 Ų5165.3 Ų65.342%0.42134%0.339SS..THydrogen-bonded Turntrans-82-8.716600000112.7D371 R376D371-A374 HydrophobicContact CB-CB 3.96Å; D371-A374 WeakPolarHBondContact OD1-CB 3.49Å; D371-A374 PolarHBondContact OD1-N 3.14Å; A374-R376 HydrophobicContact CB-CG 4.11Å; A374-R376 PolarHBondContact O-N 2.8Å
375E97.4Very high96.7Very high107 Ų10763.2 Ų63.250%0.533%0.326SS..THydrogen-bonded Turntrans49.351.5178.2-65.4-177.2-155.200113.2N301 Y370 D371 V372 F373N301-E375 PolarHBondContact ND2-OE1 2.89Å; Y370-E375 VanDerWaalsContact OH-C 3.28Å; Y370-E375 VanDerWaalsContact OH-CA 3.26Å; Y370-E375 WeakPolarHBondContact OH-CA 3.32Å; D371-E375 WeakPolarHBondContact O-CA 3.24Å; D371-E375 PolarHBondContact O-N 2.9Å; V372-E375 WeakPolarHBondContact O-CG 3.13Å; F373-E375 VanDerWaalsContact C-N 3.26Å
376R97.6Very high96.9Very high143 Ų14368 Ų6854%0.5435%0.351SS..EExtended strand (participates in β ladder)trans-148.7148.3-179.167.5-178.2-176.2-176.4-2.6113D371 A374 M378D371-R376 HydrophobicContact CB-CG 4.42Å; D371-R376 PolarHBondContact N-O 3.35Å; D371-R376 PolarHBondContact O-N 2.9Å; A374-R376 HydrophobicContact CB-CG 4.11Å; A374-R376 PolarHBondContact O-N 2.8Å; R376-M378 HydrophobicContact CG-SD 4.25Å
377E97.3Very high96.9Very high168 Ų16867.1 Ų67.179%0.78534%0.343SS*.EExtended strand (participates in β ladder)trans-66.4138.7165.4-65.5-173.116700110.6Y370Y370-E377 HydrophobicContact CD2-CG 4.07Å
378M96.4Very high97Very high52 Ų5270 Ų7026%0.25636%0.361SS..EExtended strand (participates in β ladder)trans-103.5157.5173.8-62.3-64.1-67.700109.5I369 D371 R376 T380I369-M378 HydrophobicContact CB-CB 4.02Å; I369-M378 HydrophobicContact CG2-CB 4.04Å; I369-M378 HydrophobicContact CG2-CG 4.18Å; I369-M378 PolarHBondContact O-N 3.08Å; D371-M378 HydrophobicContact CB-CG 4.09Å; D371-M378 HydrophobicContact CB-SD 4.29Å; R376-M378 HydrophobicContact CG-SD 4.25Å; M378-T380 PolarHBondContact O-N 3.37Å
379P94Very high97Very high98 Ų9863.2 Ų63.264%0.63633%0.331SS*.EExtended strand (participates in β ladder)trans-53.5139.6173.6-25.534.9000111.6L381P379-L381 PolarHBondContact O-N 3.28Å
380T94.6Very high97Very high89 Ų8966 Ų6655%0.54635%0.352SS..EExtended strand (participates in β ladder)trans-56.6130.4173.4-57.90000110Y367 M378Y367-T380 WeakPolarHBondContact O-CA 3.35Å; Y367-T380 WeakPolarHBondContact O-CG2 3.35Å; M378-T380 PolarHBondContact O-N 3.37Å
381L95.4Very high97Very high23 Ų2363 Ų6312%0.1234%0.34CS..EExtended strand (participates in β ladder)trans-110.9136.8-179.9-61-173.1000110.5L357 S366 Y367 I369 P379 T385 F387 W399L357-L381 HydrophobicContact CD1-CB 4.35Å; S366-L381 CarbonylContact C-O 3.54Å; S366-L381 WeakPolarHBondContact CA-O 3.42Å; Y367-L381 PolarHBondContact N-O 2.92Å; Y367-L381 PolarHBondContact O-N 3.11Å; I369-L381 HydrophobicContact CD1-CB 4.03Å; I369-L381 HydrophobicContact CD1-CD1 3.4Å; I369-L381 VanDerWaalsContact CD1-CD1 3.4Å; I369-L381 HydrophobicContact CD1-CG 3.66Å; P379-L381 PolarHBondContact O-N 3.28Å; L381-T385 HydrophobicContact CD2-CG2 4Å; L381-F387 HydrophobicContact CD1-CB 3.95Å; L381-F387 HydrophobicContact CD1-CD1 3.63Å; L381-F387 HydrophobicContact CD1-CE1 4.4Å; L381-F387 HydrophobicContact CD1-CG 4Å; L381-W399 HydrophobicContact CD1-CH2 4.38Å; L381-W399 HydrophobicContact CD1-CZ3 4.35Å
382K96Very high97Very high122 Ų12265.2 Ų65.253%0.5335%0.352SS..EExtended strand (participates in β ladder)trans-77.3156.8162.3-63-172.8175.7-173.80109.4G365 S384 T385G365-K382 CarbonylContact O-C 3.59Å; G365-K382 VanDerWaalsContact O-CA 3.3Å; G365-K382 WeakPolarHBondContact O-CA 3.48Å; K382-S384 PolarHBondContact O-N 3.45Å; K382-S384 VanDerWaalsContact O-N 3.17Å; K382-T385 WeakPolarHBondContact CB-OG1 3.13Å; K382-T385 PolarHBondContact N-OG1 2.85Å; K382-T385 WeakPolarHBondContact O-CB 3.05Å; K382-T385 PolarHBondContact O-N 2.98Å
383D94.9Very high97Very high24 Ų2466.5 Ų66.513%0.12836%0.36CS..THydrogen-bonded Turntrans-51.5-38.8173.561.4-64.9000113L357 G358 T364 G365 Y367L357-D383 PolarHBondContact N-O 3.33Å; G358-D383 PolarHBondContact N-O 3.41Å; T364-D383 VanDerWaalsContact CA-CG 3.49Å; G365-D383 PolarHBondContact N-OD1 3.11Å; G365-D383 PolarHBondContact O-N 3.07Å; Y367-D383 HydrophobicContact CE2-CB 4.27Å
384S95.9Very high97Very high84 Ų8465.8 Ų65.859%0.58736%0.359SS*.THydrogen-bonded Turntrans-83.2-6.9179.356.10000114.9K382 N386K382-S384 PolarHBondContact O-N 3.45Å; K382-S384 VanDerWaalsContact O-N 3.17Å; S384-N386 PolarHBondContact O-N 3.04Å
385T97.1Very high97.1Very high54 Ų5463.3 Ų63.333%0.33134%0.339SS..  trans-74.7122.3-179.3-57.30000110.6S356 L381 K382S356-T385 WeakPolarHBondContact CB-O 3.47Å; L381-T385 HydrophobicContact CD2-CG2 4Å; K382-T385 WeakPolarHBondContact CB-OG1 3.13Å; K382-T385 PolarHBondContact N-OG1 2.85Å; K382-T385 WeakPolarHBondContact O-CB 3.05Å; K382-T385 PolarHBondContact O-N 2.98Å
386N97.4Very high97.1Very high103 Ų10359 Ų5955%0.55132%0.32SS*.EExtended strand (participates in β ladder)trans-70.5134170.1-69.8-26.6000110.3A355 S384A355-N386 WeakPolarHBondContact O-CA 3.43Å; S384-N386 PolarHBondContact O-N 3.04Å
387F97.2Very high97.2Very high17 Ų1753.1 Ų53.18%0.07530%0.3CS..EExtended strand (participates in β ladder)trans-127.9165.8173.860.3-99.5000110.9F342 Q354 A355 L357 L360 L381 V389 W399F342-F387 AromaticContact CE1-CE2 3.99Å; F342-F387 HydrophobicContact CE1-CE2 3.99Å; F342-F387 HydrophobicContact CE1-CZ 4.23Å; F342-F387 HydrophobicContact CE2-CE2 4.47Å; F342-F387 AromaticContact CZ-CE2 3.59Å; F342-F387 HydrophobicContact CZ-CE2 3.59Å; F342-F387 AromaticContact CZ-CZ 3.79Å; F342-F387 HydrophobicContact CZ-CZ 3.79Å; Q354-F387 WeakPolarHBondContact CA-O 3.44Å; A355-F387 HydrophobicContact CB-CE1 4.46Å; A355-F387 HydrophobicContact CB-CE2 3.91Å; A355-F387 HydrophobicContact CB-CZ 3.78Å; A355-F387 PolarHBondContact N-O 2.99Å; A355-F387 VanDerWaalsContact N-O 3.16Å; A355-F387 WeakPolarHBondContact O-CD1 3.46Å; A355-F387 PolarHBondContact O-N 2.7Å; L357-F387 HydrophobicContact CD2-CE1 4.11Å; L357-F387 HydrophobicContact CG-CE1 4.13Å; L360-F387 HydrophobicContact CD1-CZ 4.39Å; L381-F387 HydrophobicContact CD1-CB 3.95Å; L381-F387 HydrophobicContact CD1-CD1 3.63Å; L381-F387 HydrophobicContact CD1-CE1 4.4Å; L381-F387 HydrophobicContact CD1-CG 4Å; F387-V389 HydrophobicContact CD2-CG1 4.12Å; F387-V389 HydrophobicContact CE2-CG1 4.24Å; F387-W399 HydrophobicContact CD1-CH2 4.49Å; F387-W399 HydrophobicContact CD1-CZ3 4.44Å; F387-W399 AromaticContact CD2-CH2 3.59Å; F387-W399 HydrophobicContact CD2-CH2 3.59Å; F387-W399 HydrophobicContact CD2-CZ3 4.04Å; F387-W399 HydrophobicContact CE1-CZ3 4.21Å; F387-W399 AromaticContact CE2-CH2 3.78Å; F387-W399 HydrophobicContact CE2-CH2 3.78Å; F387-W399 AromaticContact CE2-CZ3 3.81Å; F387-W399 HydrophobicContact CE2-CZ3 3.81Å; F387-W399 AromaticContact CG-CH2 3.97Å; F387-W399 HydrophobicContact CG-CH2 3.97Å; F387-W399 HydrophobicContact CG-CZ3 4.34Å; F387-W399 HydrophobicContact CZ-CH2 4.31Å; F387-W399 AromaticContact CZ-CZ3 3.9Å; F387-W399 HydrophobicContact CZ-CZ3 3.9Å
388V97.8Very high97.3Very high65 Ų6545.1 Ų45.139%0.39426%0.263SS..EExtended strand (participates in β ladder)trans-128.5127.3174.1-179.90000109.1R352 Y353 Q354R352-V388 HydrophobicContact CB-CG1 3.8Å; R352-V388 HydrophobicContact CG-CG1 4.35Å; Y353-V388 CarbonylContact O-C 3.55Å; Y353-V388 VanDerWaalsContact O-CA 3.28Å; Y353-V388 WeakPolarHBondContact O-CA 3.16Å; Q354-V388 HydrophobicContact CB-CG2 4.31Å; Q354-V388 HydrophobicContact CG-CG2 4.29Å
389V97.3Very high97.4Very high6 Ų643 Ų434%0.03625%0.252CS..EExtended strand (participates in β ladder)trans-108.3134.5169.6-64.50000109.6F342 R352 Y353 F387 I391 V397 W399F342-V389 HydrophobicContact CB-CG2 4.17Å; F342-V389 HydrophobicContact CD1-CG2 4.05Å; F342-V389 HydrophobicContact CD2-CG1 4.19Å; F342-V389 HydrophobicContact CD2-CG2 4.08Å; F342-V389 HydrophobicContact CE1-CG2 4.43Å; F342-V389 HydrophobicContact CE2-CG1 4.02Å; F342-V389 HydrophobicContact CE2-CG2 4.45Å; F342-V389 HydrophobicContact CG-CG2 3.85Å; F342-V389 HydrophobicContact CZ-CG1 4.45Å; R352-V389 CarbonylContact C-O 3.59Å; R352-V389 WeakPolarHBondContact CA-O 3.4Å; Y353-V389 HydrophobicContact CD1-CG2 3.99Å; Y353-V389 HydrophobicContact CG-CG2 4.39Å; Y353-V389 PolarHBondContact N-O 3.47Å; Y353-V389 PolarHBondContact O-N 3.43Å; F387-V389 HydrophobicContact CD2-CG1 4.12Å; F387-V389 HydrophobicContact CE2-CG1 4.24Å; V389-I391 HydrophobicContact CB-CG1 4.42Å; V389-I391 HydrophobicContact CG2-CD1 3.9Å; V389-I391 HydrophobicContact CG2-CG1 3.91Å; V389-V397 HydrophobicContact CB-CG1 4.5Å; V389-V397 HydrophobicContact CB-CG2 4.46Å; V389-V397 HydrophobicContact CG1-CG1 4.29Å; V389-W399 HydrophobicContact CG1-CH2 3.62Å; V389-W399 HydrophobicContact CG1-CZ2 3.3Å
390S98.1Very high97.6Very high65 Ų6541.5 Ų41.546%0.45523%0.234SC..EExtended strand (participates in β ladder)trans-98.7111.2176.2-173.40000108.6Y351Y351-S390 WeakPolarHBondContact O-CA 3.44Å
391I98.7Very high97.8Very high1 Ų137.3 Ų37.31%0.00521%0.208CC..EExtended strand (participates in β ladder)trans-113.1121.6-171.8-44.3161.1000109I326 F342 P350 Y351 V389 G395 V397I326-I391 HydrophobicContact CD1-CD1 3.96Å; I326-I391 HydrophobicContact CG2-CD1 4.07Å; F342-I391 HydrophobicContact CB-CD1 3.51Å; F342-I391 HydrophobicContact CB-CG1 4.16Å; P350-I391 CarbonylContact C-O 3.53Å; P350-I391 WeakPolarHBondContact CA-O 3.32Å; Y351-I391 PolarHBondContact N-O 2.68Å; Y351-I391 PolarHBondContact O-N 2.02Å; V389-I391 HydrophobicContact CB-CG1 4.42Å; V389-I391 HydrophobicContact CG2-CD1 3.9Å; V389-I391 HydrophobicContact CG2-CG1 3.91Å; I391-G395 WeakPolarHBondContact CG2-O 3.49Å; I391-V397 HydrophobicContact CG1-CG2 4.15Å
392N98.8Very high97.7Very high63 Ų6337.5 Ų37.534%0.33721%0.211SC..  trans-66.7153.5176.2-70.5-8.6000111.7D266 S344 P350 S394 G395D266-N392 VanDerWaalsContact OD2-CB 3.28Å; D266-N392 WeakPolarHBondContact OD2-CB 3.01Å; D266-N392 PolarHBondContact OD2-ND2 2.82Å; S344-N392 VanDerWaalsContact CB-O 3.25Å; S344-N392 WeakPolarHBondContact CB-O 3.31Å; P350-N392 WeakPolarHBondContact CG-OD1 3.3Å; N392-S394 PolarHBondContact O-N 3.19Å; N392-G395 WeakPolarHBondContact O-CA 3.36Å; N392-G395 PolarHBondContact O-N 3.32Å
393P98.8Very high97.4Very high27 Ų2733.2 Ų33.218%0.17520%0.199CC..THydrogen-bonded Turntrans-53.2134.4170.8-26.236.8000111.7R346 G395R346-P393 VanDerWaalsContact O-CA 3.29Å; R346-P393 WeakPolarHBondContact O-CA 3.38Å; R346-P393 VanDerWaalsContact O-CB 3.27Å; R346-P393 WeakPolarHBondContact O-CB 3.15Å; P393-G395 PolarHBondContact O-N 3.26Å
394S98.6Very high96.9Very high19 Ų1934 Ų3413%0.13321%0.205CC..THydrogen-bonded Turntrans55.512.8-174.4640000115.7D266 Q267 S270 S344 R346 N392D266-S394 CarbonylContact C-O 3.31Å; Q267-S394 WeakPolarHBondContact CG-OG 3.14Å; Q267-S394 PolarHBondContact NE2-OG 2.82Å; S270-S394 PolarHBondContact OG-O 2.69Å; S344-S394 VanDerWaalsContact O-CA 3.24Å; S344-S394 WeakPolarHBondContact O-CA 3.45Å; S344-S394 PolarHBondContact O-N 3.43Å; S344-S394 VanDerWaalsContact O-N 3.07Å; R346-S394 PolarHBondContact O-N 2.84Å; N392-S394 PolarHBondContact O-N 3.19Å
395G98.8Very high96.1Very high0 Ų033 Ų330%020%0.202CC..  trans-107.2176.1-179.300000113.3S270 F343 S344 I391 N392 P393S270-G395 VanDerWaalsContact OG-C 3.32Å; S270-G395 VanDerWaalsContact OG-CA 3.31Å; S270-G395 WeakPolarHBondContact OG-CA 3.41Å; F343-G395 WeakPolarHBondContact CD2-O 3.49Å; S344-G395 PolarHBondContact N-O 3.05Å; I391-G395 WeakPolarHBondContact CG2-O 3.49Å; N392-G395 WeakPolarHBondContact O-CA 3.36Å; N392-G395 PolarHBondContact O-N 3.32Å; P393-G395 PolarHBondContact O-N 3.26Å
396V98.9Very high94.3Very high17 Ų1737.3 Ų37.310%0.10322%0.223CC..EExtended strand (participates in β ladder)trans-129.9152.8177.7-71.80000112.3R269 A273 V341 F342 F343 F373R269-V396 HydrophobicContact CB-CG2 3.98Å; A273-V396 HydrophobicContact CB-CG1 4.43Å; A273-V396 HydrophobicContact CB-CG2 3.95Å; V341-V396 HydrophobicContact CG1-CB 4.04Å; V341-V396 HydrophobicContact CG1-CG1 3.57Å; F342-V396 CarbonylContact O-C 3.46Å; F342-V396 WeakPolarHBondContact O-CA 3.4Å; F343-V396 HydrophobicContact CB-CG1 4Å; F343-V396 HydrophobicContact CD2-CG1 3.76Å; F343-V396 HydrophobicContact CG-CG1 4.31Å; F373-V396 HydrophobicContact CD2-CG2 4.17Å; F373-V396 HydrophobicContact CE2-CG2 3.82Å
397V98.9Very high92.1Very high19 Ų1939 Ų3912%0.11523%0.228CC..EExtended strand (participates in β ladder)trans-110.6125.9152174.30000106.6V341 F342 V389 I391V341-V397 WeakPolarHBondContact CA-O 2.99Å; F342-V397 HydrophobicContact CD2-CB 4.26Å; F342-V397 HydrophobicContact CD2-CG1 4.31Å; F342-V397 PolarHBondContact N-O 3.25Å; F342-V397 PolarHBondContact O-N 3.2Å; V389-V397 HydrophobicContact CB-CG1 4.5Å; V389-V397 HydrophobicContact CB-CG2 4.46Å; V389-V397 HydrophobicContact CG1-CG1 4.29Å; I391-V397 HydrophobicContact CG1-CG2 4.15Å
398M98.9Very high89.3Confident0 Ų045.1 Ų45.10%026%0.261CS..EExtended strand (participates in β ladder)trans-118.4126-178.6-179.5176.8-169.500109.6A273 A276 I307 A339 L340 V341 V372 F373A273-M398 HydrophobicContact CB-CB 4.44Å; A273-M398 HydrophobicContact CB-SD 3.72Å; A276-M398 HydrophobicContact CB-CE 3.98Å; I307-M398 HydrophobicContact CB-CE 4.22Å; I307-M398 HydrophobicContact CD1-CE 3.46Å; I307-M398 VanDerWaalsContact CD1-CE 3.46Å; I307-M398 HydrophobicContact CG1-CE 4.43Å; I307-M398 HydrophobicContact CG2-CE 3.84Å; A339-M398 HydrophobicContact CB-CE 4.38Å; L340-M398 CarbonylContact O-C 3.53Å; L340-M398 WeakPolarHBondContact O-CA 3.34Å; V341-M398 HydrophobicContact CG2-CB 4.06Å; V341-M398 HydrophobicContact CG2-CE 4.39Å; V341-M398 HydrophobicContact CG2-CG 3.7Å; V341-M398 HydrophobicContact CG2-SD 4.22Å; V372-M398 HydrophobicContact CB-CB 4.1Å; V372-M398 HydrophobicContact CB-CG 3.98Å; V372-M398 WeakPolarHBondContact CB-O 3.26Å; V372-M398 HydrophobicContact CB-SD 4.25Å; V372-M398 HydrophobicContact CG1-CG 4.46Å; V372-M398 HydrophobicContact CG1-SD 4.07Å; V372-M398 HydrophobicContact CG2-CB 4.35Å; V372-M398 HydrophobicContact CG2-CG 3.8Å; V372-M398 WeakPolarHBondContact CG2-O 3.38Å; V372-M398 HydrophobicContact CG2-SD 4.29Å; V372-M398 PolarHBondContact N-O 2.88Å; F373-M398 HydrophobicContact CD2-CB 4.07Å; F373-M398 HydrophobicContact CE2-CB 3.98Å; F373-M398 HydrophobicContact CE2-SD 4.19Å; F373-M398 HydrophobicContact CZ-SD 4.43Å
399W98.8Very high86.4Confident7 Ų750.5 Ų50.53%0.02728%0.282CS..EExtended strand (participates in β ladder)trans-115.5136.7179.5-71.6-6.3000110.9A339 L340 F342 I369 Y370 D371 L381 F387 V389 I401A339-W399 CarbonylContact C-O 3.37Å; A339-W399 VanDerWaalsContact CA-O 3.31Å; A339-W399 WeakPolarHBondContact CA-O 3.33Å; L340-W399 HydrophobicContact CB-CB 4.48Å; L340-W399 HydrophobicContact CD2-CE3 4.43Å; L340-W399 PolarHBondContact N-O 3.19Å; L340-W399 PolarHBondContact O-N 2.87Å; F342-W399 AromaticContact CE2-CD2 3.9Å; F342-W399 HydrophobicContact CE2-CD2 3.9Å; F342-W399 AromaticContact CE2-CE3 3.74Å; F342-W399 HydrophobicContact CE2-CE3 3.74Å; F342-W399 HydrophobicContact CE2-CG 4.49Å; F342-W399 HydrophobicContact CE2-CH2 4.37Å; F342-W399 AromaticContact CE2-CZ3 3.98Å; F342-W399 HydrophobicContact CE2-CZ3 3.98Å; F342-W399 HydrophobicContact CZ-CE3 4.15Å; F342-W399 HydrophobicContact CZ-CZ3 4.07Å; I369-W399 HydrophobicContact CD1-CE3 4.01Å; I369-W399 HydrophobicContact CD1-CZ3 3.93Å; I369-W399 HydrophobicContact CG2-CB 3.95Å; I369-W399 HydrophobicContact CG2-CD2 3.55Å; I369-W399 HydrophobicContact CG2-CE3 3.81Å; I369-W399 HydrophobicContact CG2-CG 3.64Å; I369-W399 HydrophobicContact CG2-CZ3 4.49Å; Y370-W399 WeakPolarHBondContact O-CA 3.25Å; D371-W399 PolarHBondContact OD2-NE1 2.74Å; L381-W399 HydrophobicContact CD1-CH2 4.38Å; L381-W399 HydrophobicContact CD1-CZ3 4.35Å; F387-W399 HydrophobicContact CD1-CH2 4.49Å; F387-W399 HydrophobicContact CD1-CZ3 4.44Å; F387-W399 AromaticContact CD2-CH2 3.59Å; F387-W399 HydrophobicContact CD2-CH2 3.59Å; F387-W399 HydrophobicContact CD2-CZ3 4.04Å; F387-W399 HydrophobicContact CE1-CZ3 4.21Å; F387-W399 AromaticContact CE2-CH2 3.78Å; F387-W399 HydrophobicContact CE2-CH2 3.78Å; F387-W399 AromaticContact CE2-CZ3 3.81Å; F387-W399 HydrophobicContact CE2-CZ3 3.81Å; F387-W399 AromaticContact CG-CH2 3.97Å; F387-W399 HydrophobicContact CG-CH2 3.97Å; F387-W399 HydrophobicContact CG-CZ3 4.34Å; F387-W399 HydrophobicContact CZ-CH2 4.31Å; F387-W399 AromaticContact CZ-CZ3 3.9Å; F387-W399 HydrophobicContact CZ-CZ3 3.9Å; V389-W399 HydrophobicContact CG1-CH2 3.62Å; V389-W399 HydrophobicContact CG1-CZ2 3.3Å; W399-I401 HydrophobicContact CB-CD1 4.44Å; W399-I401 HydrophobicContact CB-CG1 4.09Å; W399-I401 HydrophobicContact CE3-CD1 4.25Å
400Y98.8Very high83.4Confident67 Ų6757 Ų5726%0.26332%0.317SS..EExtended strand (participates in β ladder)trans-90.7131.6154.9174.9-95.9000108.3I307 L333 A337 I369 Y370I307-Y400 HydrophobicContact CD1-CD2 4.47Å; I307-Y400 HydrophobicContact CG1-CD2 4.24Å; L333-Y400 HydrophobicContact CD1-CD2 3.81Å; L333-Y400 HydrophobicContact CD1-CE2 3.78Å; A337-Y400 HydrophobicContact CB-CE2 3.79Å; A337-Y400 WeakPolarHBondContact CB-OH 3.03Å; I369-Y400 WeakPolarHBondContact CA-O 3.32Å; Y370-Y400 PolarHBondContact N-O 2.02Å; Y370-Y400 PolarHBondContact O-N 2.95Å
401I98.2Very high80.3Confident0 Ų059 Ų590%033%0.326CS..EExtended strand (participates in β ladder)trans-125124-176.9-55.1-176.7000108.1A337 S338 L340 L357 Y362 Y367 K368 I369 W399A337-I401 CarbonylContact C-O 3.59Å; A337-I401 VanDerWaalsContact CA-O 3.28Å; A337-I401 WeakPolarHBondContact CA-O 3.28Å; A337-I401 WeakPolarHBondContact CB-O 3.39Å; S338-I401 PolarHBondContact N-O 2.83Å; S338-I401 PolarHBondContact O-N 3.03Å; L340-I401 HydrophobicContact CB-CD1 3.95Å; L340-I401 HydrophobicContact CD2-CD1 4.06Å; L357-I401 HydrophobicContact CD2-CD1 3.87Å; Y362-I401 HydrophobicContact CE1-CD1 4.28Å; Y362-I401 HydrophobicContact CE1-CG2 4.06Å; Y367-I401 HydrophobicContact CD1-CG2 3.74Å; Y367-I401 HydrophobicContact CG-CG2 4.1Å; K368-I401 WeakPolarHBondContact O-CA 3.41Å; I369-I401 HydrophobicContact CG1-CG1 4.29Å; I369-I401 HydrophobicContact CG1-CG2 4.46Å; W399-I401 HydrophobicContact CB-CD1 4.44Å; W399-I401 HydrophobicContact CB-CG1 4.09Å; W399-I401 HydrophobicContact CE3-CD1 4.25Å
402S93.9Very high77.3Confident28 Ų2868 Ų6820%0.19637%0.367CS..PPolyproline II helixtrans-67.1171.9178.871.60000112.5Y367 K368Y367-S402 WeakPolarHBondContact CD1-O 3.36Å; K368-S402 PolarHBondContact N-OG 3.27Å; K368-S402 PolarHBondContact O-N 2.91Å
403A88.8Confident74.3Confident32 Ų3271.6 Ų71.626%0.26439%0.385SS..PPolyproline II helixtrans-54152.9158.600000111.4D335 K336 A405D335-A403 WeakPolarHBondContact O-CB 3.39Å; K336-A403 HydrophobicContact CB-CB 4.02Å; A403-A405 PolarHBondContact O-N 3.24Å
404P85.6Confident71.3Confident41 Ų4173.9 Ų73.927%0.26641%0.414SS..PPolyproline II helixtrans-62.8134.3170.525.8-30.7000109.5S366 Y367 D406S366-P404 CarbonylContact O-C 3.56Å; S366-P404 WeakPolarHBondContact O-CA 3.44Å; Y367-P404 HydrophobicContact CD1-CB 4.36Å; Y367-P404 HydrophobicContact CE1-CB 3.74Å; Y367-P404 HydrophobicContact CE1-CG 4.12Å; Y367-P404 HydrophobicContact CE2-CB 4.35Å; P404-D406 PolarHBondContact O-N 3.01Å
405A78.1Confident68.3Low62 Ų6275.9 Ų75.951%0.51244%0.437SS..BIsolated β-bridgetrans-62.5134.4164.200000108.8S366 A403 Q407S366-A405 PolarHBondContact O-N 3.02Å; A403-A405 PolarHBondContact O-N 3.24Å; A405-Q407 PolarHBondContact O-N 2.81Å
406D60.7Low65Low144 Ų14485.7 Ų85.777%0.7748%0.48SS*.PPolyproline II helixtrans-54.8137.3174.1-75.1-34.2000109.5P404 D408P404-D406 PolarHBondContact O-N 3.01Å; D406-D408 PolarHBondContact O-N 3.18Å
407Q49.8Very low62Low140 Ų14093.3 Ų93.365%0.65452%0.519SS*.THydrogen-bonded Turntrans-68-1.4177.4-71.9-163.3-19.300113.4A405A405-Q407 PolarHBondContact O-N 2.81Å
408D38.3Very low58.6Low144 Ų144104.1 Ų104.177%0.7756%0.558SS**THydrogen-bonded Turntrans-107.933.9-172.5-87.1-17.8000114.8D406 N410D406-D408 PolarHBondContact O-N 3.18Å; D408-N410 VanDerWaalsContact C-N 3.3Å
409E38.7Very low55.3Low179 Ų179107.3 Ų107.384%0.83659%0.591SS**  trans-95.724.8156.8-83.5-163.1166.600113.2T411E409-T411 PolarHBondContact O-N 3.33Å
410N34Very low52Low143 Ų143113.1 Ų113.177%0.76563%0.629SS**  trans-89.258.9152.4-94.4-16.3000109.8D408 H412D408-N410 VanDerWaalsContact C-N 3.3Å; N410-H412 PolarHBondContact O-N 3.28Å
411T33.3Very low48.7Very low106 Ų106114.4 Ų114.465%0.6565%0.654SS**  trans-67.894.9153.447.30000107.4E409 I413E409-T411 PolarHBondContact O-N 3.33Å; T411-I413 PolarHBondContact O-N 3.08Å
412H35.2Very low45.3Very low189 Ų189123.1 Ų123.188%0.87569%0.692SS**  trans-51.195149.6-86.8-63.3000108.2N410N410-H412 PolarHBondContact O-N 3.28Å
413I35Very low42.2Very low139 Ų139130.1 Ų130.171%0.71372%0.722SS**  trans-101.887.8156.4-56.7-177.8000105.9T411 G415T411-I413 PolarHBondContact O-N 3.08Å; I413-G415 PolarHBondContact O-N 2.99Å
414G36.5Very low39.3Very low76 Ų76139.2 Ų139.278%0.78475%0.749SS**  trans-58119.515300000108.2
415G34.8Very low36.5Very low60 Ų60146.3 Ų146.362%0.61978%0.778SS**SBendtrans113.5110.8158.900000116.6I413I413-G415 PolarHBondContact O-N 2.99Å
416K30.8Very low34.1Very low206 Ų206147.3 Ų147.390%0.89679%0.786SS**  trans81.5104154.6-69.6178.8174.7174.50118.5R418K416-R418 PolarHBondContact O-N 3.26Å
417L34Very low32.6Very low178 Ų178148.4 Ų148.493%0.93279%0.792SS**  trans-36.9123.5145.6-76.5151.2000112.2
418R29.4Very low31.7Very low246 Ų246145.1 Ų145.193%0.92880%0.796SS**  trans-134.7123.2145-84.2-170171.8-171.1-2.7108.8K416K416-R418 PolarHBondContact O-N 3.26Å
419G28.2Very low31.2Very low67 Ų67146.1 Ų146.169%0.69180%0.8SS**  trans-68.6-178.8173.800000113.2
420P29.6Very low30.6Very low128 Ų128142.9 Ų142.983%0.83180%0.797SS**  trans-79.4136.9-146.631.4-33.4000112.6
421A28.9Very low30.5Very low95 Ų95140.9 Ų140.979%0.78579%0.791SS**  trans-105.4100.3164.200000108.8H423A421-H423 PolarHBondContact O-N 2.82Å
422F27.1Very low30.4Very low182 Ų182143.7 Ų143.780%0.79880%0.801SS**  trans-61.7124.3160.5-100.8-98.3000109.1
423H28.7Very low30.2Very low176 Ų176140.7 Ų140.782%0.81580%0.796SS**  trans-134.2110.1152.7-98.2-62.7000110.1A421A421-H423 PolarHBondContact O-N 2.82Å
424R27.7Very low30.2Very low222 Ų222143.2 Ų143.284%0.83881%0.81SS**  trans-66.6127.8162-76.3177.7178.8178.1-0.6108.4
425H28Very low29.9Very low190 Ų190146.6 Ų146.688%0.8881%0.811SS**  trans-139.8129.9138.2-93.4-67.5000110
426A27.8Very low29.6Very low83 Ų83151.2 Ų151.269%0.68682%0.821SS**  trans-82165.3-176.100000112.1
427N29.7Very low29.5Very low167 Ų167148.1 Ų148.189%0.89382%0.817SS**  trans101.293178.3-57-9.9000110.4
428G29.7Very low29.3Very low71 Ų71146.4 Ų146.473%0.73281%0.81SS**  cis116.485.136.700000106.9
429I27.9Very low29.3Very low166 Ų166140.1 Ų140.185%0.85180%0.803SS**  trans174.4114153.5-83.5146.9000104.6
430S26.2Very low29.3Very low111 Ų111145 Ų14578%0.77681%0.81SS**  trans-85124-179.7-154.40000108.8
431P31.3Very low29.3Very low100 Ų100146.2 Ų146.265%0.64981%0.809SS**  trans-73.5131.5155.60.516.9000107.4V433P431-V433 PolarHBondContact O-N 2.77Å; P431-V433 VanDerWaalsContact O-N 3.1Å
432I32.2Very low29.3Very low166 Ų166150.2 Ų150.285%0.85181%0.811SS**  trans-63.2109.7165.4-67.2170.1000105.9
433V31.6Very low29.5Very low126 Ų126147.5 Ų147.576%0.76481%0.812SS**  trans-78.9129173177.60000107.3P431P431-V433 PolarHBondContact O-N 2.77Å; P431-V433 VanDerWaalsContact O-N 3.1Å
434L33.6Very low29.6Very low192 Ų192144.9 Ų144.9100%1.00581%0.811SS**  trans-54.20170.5-78.5158.6000112.7

Retrieved 434 of 434 residues in 434.8 ms (Link to these results)

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