A0A087YM80_POEFO Loading...

Isoaspartyl peptidase/L-asparaginase

AlphaFold DB , UniProt , Accession A0A087YM80, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 310 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
1M80.3Confident94.8Very high98 Ų9816.2 Ų16.248%0.4839%0.088SC..  0-37.10-76.4-88-81.700109.7Q270 N272 Q288 K289M1-Q270 WeakPolarHBondContact CB-O 3.38Å; M1-N272 WeakPolarHBondContact CE-OD1 3.31Å; M1-Q288 WeakPolarHBondContact O-CG 3.39Å; M1-Q288 PolarHBondContact O-NE2 3.18Å; M1-K289 PolarHBondContact SD-NZ 3.14Å; M1-K289 VanDerWaalsContact SD-NZ 3.36Å
2L92.8Very high94.2Very high54 Ų5415.3 Ų15.328%0.2839%0.085SC..  trans-71.7156171.6-48.9178.4000112.3V173 D174L2-V173 HydrophobicContact CD1-CG2 4.45Å; L2-V173 HydrophobicContact CD2-CB 4.01Å; L2-V173 HydrophobicContact CD2-CG1 3.33Å; L2-V173 HydrophobicContact CD2-CG2 3.51Å; L2-D174 WeakPolarHBondContact CD1-O 3.36Å
3P97.1Very high93.7Very high16 Ų1620.7 Ų20.710%0.10411%0.109CC..  cis-78.9164.7-8.731-32.7000113.1Y34 L37 V173 T175P3-Y34 HydrophobicContact CG-CE2 4.03Å; P3-L37 HydrophobicContact CB-CB 3.67Å; P3-L37 HydrophobicContact CB-CD1 3.64Å; P3-L37 HydrophobicContact CB-CG 4.25Å; P3-L37 HydrophobicContact CG-CB 3.92Å; P3-V173 WeakPolarHBondContact CA-O 3.41Å; P3-T175 HydrophobicContact CG-CG2 4.48Å
4V98.4Very high93.4Very high0 Ų020.6 Ų20.60%011%0.109CC..EExtended strand (participates in β ladder)trans-140.3140.1174.6-174.70000110.5V6 A172 V173 V267 W273 A287 Q288V4-V6 HydrophobicContact CG1-CG2 3.96Å; V4-A172 CarbonylContact O-C 3.54Å; V4-A172 VanDerWaalsContact O-CA 3.23Å; V4-A172 WeakPolarHBondContact O-CA 3.09Å; V4-V173 HydrophobicContact CB-CG1 3.81Å; V4-V173 HydrophobicContact CG2-CG1 4.08Å; V4-V173 PolarHBondContact N-O 2.92Å; V4-V173 PolarHBondContact O-N 2.98Å; V4-V267 HydrophobicContact CB-CG2 4.38Å; V4-V267 HydrophobicContact CG1-CG2 4.38Å; V4-W273 HydrophobicContact CG1-CB 4.35Å; V4-W273 HydrophobicContact CG1-CG 4.08Å; V4-A287 WeakPolarHBondContact CA-O 3.47Å; V4-Q288 HydrophobicContact CG1-CB 4.39Å; V4-Q288 HydrophobicContact CG2-CB 4.1Å; V4-Q288 HydrophobicContact CG2-CG 3.77Å
5V98.8Very high93.1Very high0 Ų021.5 Ų21.50%012%0.116CC..EExtended strand (participates in β ladder)trans-126.8138.9163.3-172.30000109.1V7 V30 A33 L37 A46 V171 A172 A286 A287V5-V7 HydrophobicContact CG1-CG2 4.12Å; V5-V30 HydrophobicContact CB-CG2 3.97Å; V5-V30 HydrophobicContact CG1-CG2 4.06Å; V5-V30 WeakPolarHBondContact O-CG2 3.23Å; V5-A33 HydrophobicContact CB-CB 4.46Å; V5-A33 HydrophobicContact CG1-CB 3.87Å; V5-A33 HydrophobicContact CG2-CB 4.18Å; V5-L37 HydrophobicContact CG2-CD1 3.37Å; V5-L37 HydrophobicContact CG2-CG 4.1Å; V5-A46 HydrophobicContact CG2-CB 4.21Å; V5-V171 WeakPolarHBondContact CA-O 3.45Å; V5-A172 HydrophobicContact CG1-CB 4.43Å; V5-A172 HydrophobicContact CG2-CB 4.04Å; V5-A286 CarbonylContact O-C 3.6Å; V5-A286 VanDerWaalsContact O-CA 3.22Å; V5-A286 WeakPolarHBondContact O-CA 3.42Å; V5-A287 PolarHBondContact N-O 3.31Å; V5-A287 PolarHBondContact O-N 3.24Å
6V98.9Very high92.9Very high0 Ų031 Ų310%016%0.156CC..EExtended strand (participates in β ladder)trans-129.9135.9171.9-166.30000109.6V4 A170 V171 V265 W273 A285 A286V4-V6 HydrophobicContact CG1-CG2 3.96Å; V6-A170 CarbonylContact O-C 3.6Å; V6-A170 VanDerWaalsContact O-CA 3.23Å; V6-A170 WeakPolarHBondContact O-CA 3.45Å; V6-V171 HydrophobicContact CB-CG2 3.91Å; V6-V171 HydrophobicContact CG2-CG2 4.38Å; V6-V171 PolarHBondContact N-O 3.25Å; V6-V171 PolarHBondContact O-N 3.42Å; V6-V265 HydrophobicContact CB-CB 4.18Å; V6-V265 HydrophobicContact CG1-CB 3.68Å; V6-V265 HydrophobicContact CG1-CG1 3.7Å; V6-W273 HydrophobicContact CG1-CE3 4.22Å; V6-W273 HydrophobicContact CG2-CB 3.71Å; V6-W273 HydrophobicContact CG2-CD2 3.97Å; V6-W273 HydrophobicContact CG2-CE3 4Å; V6-W273 HydrophobicContact CG2-CG 3.84Å; V6-A285 CarbonylContact C-O 3.43Å; V6-A285 WeakPolarHBondContact CA-O 3.49Å; V6-A286 HydrophobicContact CB-CB 4.36Å; V6-A286 HydrophobicContact CG1-CB 4.1Å; V6-A286 HydrophobicContact CG2-CB 3.9Å
7V98.9Very high92.8Very high0 Ų038.4 Ų38.40%019%0.19CC..EExtended strand (participates in β ladder)trans-129.7143-172.5174.10000110V5 V26 A29 V30 A50 L54 G169 A170 W284 A285V5-V7 HydrophobicContact CG1-CG2 4.12Å; V7-V26 HydrophobicContact CG1-CB 4.27Å; V7-V26 HydrophobicContact CG1-CG1 4.23Å; V7-A29 HydrophobicContact CG1-CB 4.41Å; V7-V30 HydrophobicContact CB-CB 4.44Å; V7-V30 HydrophobicContact CG2-CB 3.96Å; V7-V30 HydrophobicContact CG2-CG2 4Å; V7-A50 HydrophobicContact CG2-CB 3.86Å; V7-L54 HydrophobicContact CG1-CD1 3.44Å; V7-L54 VanDerWaalsContact CG1-CD1 3.44Å; V7-G169 CarbonylContact C-O 3.52Å; V7-G169 WeakPolarHBondContact CA-O 3.45Å; V7-A170 HydrophobicContact CG2-CB 4.04Å; V7-W284 CarbonylContact O-C 3.4Å; V7-W284 VanDerWaalsContact O-CA 3.23Å; V7-W284 WeakPolarHBondContact O-CA 3.49Å; V7-A285 PolarHBondContact N-O 2.98Å; V7-A285 PolarHBondContact O-N 2.91Å
8H98.8Very high92.7Very high0 Ų038.6 Ų38.60%019%0.188CC..EExtended strand (participates in β ladder)trans-121.6147.6163.166.282.7000112.3T167 V168 G169 S216 T217 T218 V265 M282 A283H8-T167 PolarHBondContact CE1-O 3.03Å; H8-T167 PolarHBondContact ND1-O 3.37Å; H8-V168 VanDerWaalsContact CE1-C 3.44Å; H8-V168 WeakPolarHBondContact O-CA 3.4Å; H8-G169 PolarHBondContact CE1-N 2.91Å; H8-G169 VanDerWaalsContact CE1-N 3.31Å; H8-G169 PolarHBondContact N-O 2.98Å; H8-G169 PolarHBondContact O-N 3.13Å; H8-G169 VanDerWaalsContact O-N 3.09Å; H8-S216 PolarHBondContact NE2-OG 3.06Å; H8-T217 PolarHBondContact CE1-O 3.22Å; H8-T218 WeakPolarHBondContact ND1-CG2 3.47Å; H8-V265 HydrophobicContact CB-CG1 3.89Å; H8-M282 HydrophobicContact CB-CE 4.46Å; H8-M282 HydrophobicContact CB-CG 4.21Å; H8-M282 HydrophobicContact CB-SD 4.09Å; H8-A283 CarbonylContact C-O 3.54Å; H8-A283 WeakPolarHBondContact CA-O 3.4Å
9G97.1Very high92.7Very high8 Ų837.1 Ų37.18%0.08218%0.182CC..EExtended strand (participates in β ladder)trans-99.82.4173.100000114.2F60 T167 A283G9-F60 WeakPolarHBondContact O-CD1 3.45Å; G9-T167 CarbonylContact C-O 3.57Å; G9-A283 PolarHBondContact N-O 3.37Å
10G93.4Very high92.9Very high2 Ų241.9 Ų41.92%0.02121%0.209CC..EExtended strand (participates in β ladder)trans115.6143.2176.700000114.2T167 T218 M282G10-T167 WeakPolarHBondContact CA-O 3.25Å; G10-T167 PolarHBondContact N-O 2.92Å; G10-T167 VanDerWaalsContact N-O 3.1Å; G10-T218 WeakPolarHBondContact CA-OG1 3.49Å; G10-M282 WeakPolarHBondContact O-CA 3.44Å
11A88.3Confident93Very high0 Ų043.8 Ų43.80%022%0.219CC..EExtended strand (participates in β ladder)trans-98126.9-179.200000111.2M165 T218 S279 Q281 M282A11-M165 WeakPolarHBondContact O-CB 3.47Å; A11-T218 HydrophobicContact CB-CG2 3.55Å; A11-T218 PolarHBondContact N-OG1 3.43Å; A11-S279 WeakPolarHBondContact CB-OG 3.4Å; A11-Q281 CarbonylContact C-O 3.6Å; A11-Q281 WeakPolarHBondContact CA-O 3.41Å; A11-M282 HydrophobicContact CB-CB 4.15Å; A11-M282 HydrophobicContact CB-CG 4.1Å; A11-M282 HydrophobicContact CB-SD 4.19Å
12G87.8Confident93.7Very high5 Ų539.5 Ų39.55%0.05220%0.198CC..EExtended strand (participates in β ladder)trans163.4-149.8-179.400000112.7G163 Q281G12-G163 CarbonylContact C-O 3.53Å; G12-G163 WeakPolarHBondContact CA-O 3.25Å; G12-Q281 PolarHBondContact N-O 3.37Å; G12-Q281 WeakPolarHBondContact O-CB 3.42Å; G12-Q281 PolarHBondContact O-N 3.23Å
13H88Confident93.8Very high86 Ų8638 Ų3840%0.39819%0.192SC..  trans-97.8115.4171179.144.3000109.3G163 Q281H13-G163 WeakPolarHBondContact CB-O 3.48Å; H13-G163 PolarHBondContact N-O 3.09Å; H13-Q281 PolarHBondContact ND1-OE1 3.31Å
14I88.9Confident93.8Very high20 Ų2040.5 Ų40.510%0.10321%0.21CC..  trans-101.1118172.8-66.1164.3000107R18 Q281 A283 L296I14-R18 HydrophobicContact CG2-CB 4.21Å; I14-Q281 HydrophobicContact CD1-CB 4.46Å; I14-Q281 PolarHBondContact O-NE2 3.3Å; I14-Q281 PolarHBondContact O-OE1 2.94Å; I14-A283 HydrophobicContact CD1-CB 4.11Å; I14-L296 HydrophobicContact CD1-CD1 3.48Å; I14-L296 VanDerWaalsContact CD1-CD1 3.48Å
15P89.1Confident93.8Very high33 Ų3340.7 Ų40.721%0.21421%0.212CC..  trans-56.5146.4176.2-2534.6000111.3E17 R18 S19P15-E17 VanDerWaalsContact CB-OE2 3.31Å; P15-E17 WeakPolarHBondContact CB-OE2 3.43Å; P15-E17 PolarHBondContact O-N 2.91Å; P15-E17 VanDerWaalsContact O-N 3.12Å; P15-R18 PolarHBondContact O-N 2.83Å; P15-S19 PolarHBondContact O-N 2.69Å
16K90.4Very high93.8Very high174 Ų17440.7 Ų40.776%0.75721%0.212SC*.G310 helixtrans-55.9-36.4-174.6-173.8178.9178.1-176.90112R18 S19K16-R18 PolarHBondContact O-N 2.92Å; K16-S19 PolarHBondContact O-N 3.01Å; K16-S19 PolarHBondContact O-OG 3.34Å
17E90.1Very high93.8Very high156 Ų15641 Ų4173%0.72921%0.214SC*.G310 helixtrans-69.8-13.8-179.1-50.173.9-15400112.9P15P15-E17 VanDerWaalsContact CB-OE2 3.31Å; P15-E17 WeakPolarHBondContact CB-OE2 3.43Å; P15-E17 PolarHBondContact O-N 2.91Å; P15-E17 VanDerWaalsContact O-N 3.12Å
18R91.7Very high93.8Very high42 Ų4244.4 Ų44.416%0.15824%0.237CC..G310 helixtrans-111.4-6.3179.7-65.1-176.969.6101.1-13.7113.4I14 P15 K16 D20 L21 S22 P58 S59 Y142I14-R18 HydrophobicContact CG2-CB 4.21Å; P15-R18 PolarHBondContact O-N 2.83Å; K16-R18 PolarHBondContact O-N 2.92Å; R18-D20 VanDerWaalsContact C-N 3.33Å; R18-D20 PolarHBondContact O-N 3.1Å; R18-L21 PolarHBondContact O-N 2.89Å; R18-S22 PolarHBondContact O-N 3.35Å; R18-S22 PolarHBondContact O-OG 3.09Å; R18-P58 PolarHBondContact NH2-O 3.45Å; R18-S59 VanDerWaalsContact NH2-C 3.31Å; R18-S59 PolarHBondContact NH2-O 3.34Å; R18-Y142 VanDerWaalsContact CD-CZ 3.47Å; R18-Y142 VanDerWaalsContact CZ-CD1 3.48Å; R18-Y142 VanDerWaalsContact NH1-CG 3.27Å
19S93.3Very high93.8Very high11 Ų1144.4 Ų44.48%0.07724%0.238CC..Hα-helixtrans-53.8-48.7-179.7-62.50000112.2P15 K16 L21 S22 T23P15-S19 PolarHBondContact O-N 2.69Å; K16-S19 PolarHBondContact O-N 3.01Å; K16-S19 PolarHBondContact O-OG 3.34Å; S19-L21 PolarHBondContact O-N 3.38Å; S19-S22 PolarHBondContact O-N 3.07Å; S19-T23 PolarHBondContact O-N 3.1Å; S19-T23 PolarHBondContact O-OG1 3.12Å; S19-T23 VanDerWaalsContact O-OG1 3.12Å
20D95.1Very high93.8Very high133 Ų13344 Ų4471%0.71123%0.234SC*.Hα-helixtrans-67.5-37.7-178-63.5-15.1000111.8R18 S24R18-D20 VanDerWaalsContact C-N 3.33Å; R18-D20 PolarHBondContact O-N 3.1Å; D20-S24 WeakPolarHBondContact O-CB 3.38Å; D20-S24 PolarHBondContact O-N 3.11Å; D20-S24 PolarHBondContact O-OG 3.36Å
21L95.2Very high94.1Very high82 Ų8248 Ų4843%0.42925%0.248SC..Hα-helixtrans-64.4-42.5174.9-66.6173.5000111.5R18 S19 S24 G25R18-L21 PolarHBondContact O-N 2.89Å; S19-L21 PolarHBondContact O-N 3.38Å; L21-S24 PolarHBondContact O-OG 3.42Å; L21-G25 PolarHBondContact O-N 3.33Å
22S94.9Very high94.6Very high7 Ų750 Ų505%0.04926%0.261CS..Hα-helixtrans-65.8-47.3177.6-66.30000111.8R18 S19 G25 V26 F60R18-S22 PolarHBondContact O-N 3.35Å; R18-S22 PolarHBondContact O-OG 3.09Å; S19-S22 PolarHBondContact O-N 3.07Å; S22-G25 PolarHBondContact O-N 3.21Å; S22-V26 WeakPolarHBondContact O-CG2 3.46Å; S22-V26 PolarHBondContact O-N 3.13Å; S22-F60 WeakPolarHBondContact O-CZ 3.25Å
23T96.6Very high95.1Very high24 Ų2449.7 Ų49.715%0.14726%0.259CS..Hα-helixtrans-67.5-46.7179.8-56.90000111.8S19 G25 V26 C27 Y294S19-T23 PolarHBondContact O-N 3.1Å; S19-T23 PolarHBondContact O-OG1 3.12Å; S19-T23 VanDerWaalsContact O-OG1 3.12Å; T23-G25 VanDerWaalsContact C-N 3.29Å; T23-G25 PolarHBondContact O-N 2.86Å; T23-V26 WeakPolarHBondContact O-CG2 3.47Å; T23-V26 PolarHBondContact O-N 3.11Å; T23-C27 WeakPolarHBondContact O-CB 3.37Å; T23-C27 PolarHBondContact O-N 2.99Å; T23-C27 PolarHBondContact O-SG 3.21Å; T23-Y294 HydrophobicContact CG2-CD2 3.4Å; T23-Y294 VanDerWaalsContact CG2-CD2 3.4Å; T23-Y294 HydrophobicContact CG2-CE2 3.89Å; T23-Y294 HydrophobicContact CG2-CG 4.32Å
24S97.4Very high95.6Very high68 Ų6846.1 Ų46.148%0.47624%0.242SC..Hα-helixtrans-62.6-37.2177.258.70000112.2D20 L21 C27 S28D20-S24 WeakPolarHBondContact O-CB 3.38Å; D20-S24 PolarHBondContact O-N 3.11Å; D20-S24 PolarHBondContact O-OG 3.36Å; L21-S24 PolarHBondContact O-OG 3.42Å; S24-C27 PolarHBondContact O-N 3.29Å; S24-S28 WeakPolarHBondContact O-CB 3.25Å; S24-S28 PolarHBondContact O-N 3.08Å
25G98.1Very high96Very high4 Ų447.7 Ų47.74%0.04126%0.258CS..Hα-helixtrans-62.6-47.7177.100000113.4L21 S22 T23 C27 S28 A29L21-G25 PolarHBondContact O-N 3.33Å; S22-G25 PolarHBondContact O-N 3.21Å; T23-G25 VanDerWaalsContact C-N 3.29Å; T23-G25 PolarHBondContact O-N 2.86Å; G25-C27 VanDerWaalsContact C-N 3.33Å; G25-C27 PolarHBondContact O-N 3.34Å; G25-S28 PolarHBondContact O-N 3.46Å; G25-A29 PolarHBondContact O-N 3.21Å
26V98.6Very high96.5Very high0 Ų048 Ų480%026%0.259CS..Hα-helixtrans-66.6-35.8176.2-63.60000111.9V7 S22 T23 A29 V30 L54 F60 A283 A285V7-V26 HydrophobicContact CG1-CB 4.27Å; V7-V26 HydrophobicContact CG1-CG1 4.23Å; S22-V26 WeakPolarHBondContact O-CG2 3.46Å; S22-V26 PolarHBondContact O-N 3.13Å; T23-V26 WeakPolarHBondContact O-CG2 3.47Å; T23-V26 PolarHBondContact O-N 3.11Å; V26-A29 PolarHBondContact O-N 3.17Å; V26-V30 PolarHBondContact O-N 3.27Å; V26-L54 HydrophobicContact CG1-CD2 4.4Å; V26-F60 HydrophobicContact CG1-CE1 4.01Å; V26-F60 HydrophobicContact CG1-CZ 4.01Å; V26-A283 HydrophobicContact CG1-CB 4.18Å; V26-A283 HydrophobicContact CG2-CB 4.36Å; V26-A285 HydrophobicContact CB-CB 4.07Å; V26-A285 HydrophobicContact CG2-CB 3.9Å
27C98.6Very high96.8Very high7 Ų739.9 Ų39.95%0.04722%0.224CC..Hα-helixtrans-65-37.8174.1-69.80000112.7T23 S24 G25 R31 L292 Y294T23-C27 WeakPolarHBondContact O-CB 3.37Å; T23-C27 PolarHBondContact O-N 2.99Å; T23-C27 PolarHBondContact O-SG 3.21Å; S24-C27 PolarHBondContact O-N 3.29Å; G25-C27 VanDerWaalsContact C-N 3.33Å; G25-C27 PolarHBondContact O-N 3.34Å; C27-R31 VanDerWaalsContact O-CG 3.27Å; C27-R31 WeakPolarHBondContact O-CG 3.12Å; C27-R31 PolarHBondContact O-N 3.45Å; C27-L292 HydrophobicContact CB-CD2 4.02Å; C27-Y294 VanDerWaalsContact SG-CB 3.57Å
28S98.4Very high97.1Very high70 Ų7037.1 Ų37.149%0.4921%0.211SC..Hα-helixtrans-67.2-46175.1-167.60000111.4S24 G25 R31 S32S24-S28 WeakPolarHBondContact O-CB 3.25Å; S24-S28 PolarHBondContact O-N 3.08Å; G25-S28 PolarHBondContact O-N 3.46Å; S28-R31 PolarHBondContact O-N 3.44Å; S28-S32 PolarHBondContact O-N 3.25Å
29A98.6Very high97.4Very high1 Ų138.5 Ų38.51%0.00824%0.239CC..Hα-helixtrans-61.9-45.7-179.500000111.8V7 G25 V26 R31 S32 A33 L53 L54V7-A29 HydrophobicContact CG1-CB 4.41Å; G25-A29 PolarHBondContact O-N 3.21Å; V26-A29 PolarHBondContact O-N 3.17Å; A29-R31 VanDerWaalsContact C-N 3.34Å; A29-R31 PolarHBondContact O-N 3.41Å; A29-S32 PolarHBondContact O-N 2.92Å; A29-A33 WeakPolarHBondContact O-CB 3.38Å; A29-A33 PolarHBondContact O-N 2.99Å; A29-A33 VanDerWaalsContact O-N 3.07Å; A29-L53 HydrophobicContact CB-CB 4.3Å; A29-L54 HydrophobicContact CB-CD1 4.23Å; A29-L54 HydrophobicContact CB-CD2 3.71Å; A29-L54 HydrophobicContact CB-CG 3.75Å
30V98.5Very high97.5Very high0 Ų040.9 Ų40.90%026%0.264CS..Hα-helixtrans-68.4-32.7-179.983.70000112.4V5 V7 V26 Y34 A285 A287 L292V5-V30 HydrophobicContact CB-CG2 3.97Å; V5-V30 HydrophobicContact CG1-CG2 4.06Å; V5-V30 WeakPolarHBondContact O-CG2 3.23Å; V7-V30 HydrophobicContact CB-CB 4.44Å; V7-V30 HydrophobicContact CG2-CB 3.96Å; V7-V30 HydrophobicContact CG2-CG2 4Å; V26-V30 PolarHBondContact O-N 3.27Å; V30-Y34 WeakPolarHBondContact O-CB 3.46Å; V30-Y34 PolarHBondContact O-N 3.47Å; V30-A285 HydrophobicContact CB-CB 4.2Å; V30-A285 HydrophobicContact CG1-CB 3.73Å; V30-A287 HydrophobicContact CG1-CB 4.37Å; V30-A287 HydrophobicContact CG2-CB 3.88Å; V30-L292 HydrophobicContact CG1-CD1 3.25Å
31R98.5Very high97.7Very high86 Ų8635.6 Ų35.633%0.32524%0.241SC..Hα-helixtrans-63.1-47.7174.8-80-179.4-178.6112.4-4.3111.7C27 S28 A29 Y34 A35 L292C27-R31 VanDerWaalsContact O-CG 3.27Å; C27-R31 WeakPolarHBondContact O-CG 3.12Å; C27-R31 PolarHBondContact O-N 3.45Å; S28-R31 PolarHBondContact O-N 3.44Å; A29-R31 VanDerWaalsContact C-N 3.34Å; A29-R31 PolarHBondContact O-N 3.41Å; R31-Y34 PolarHBondContact O-N 2.98Å; R31-A35 PolarHBondContact O-N 2.89Å; R31-L292 VanDerWaalsContact CZ-CD2 3.49Å
32S98.4Very high97.8Very high40 Ų4033.5 Ų33.528%0.2823%0.234SC..Hα-helixtrans-62.5-48.1178.5-164.40000111.2S28 A29 Y34 A35 V36 E49S28-S32 PolarHBondContact O-N 3.25Å; A29-S32 PolarHBondContact O-N 2.92Å; S32-Y34 VanDerWaalsContact C-N 3.3Å; S32-Y34 PolarHBondContact O-N 3.16Å; S32-A35 WeakPolarHBondContact O-CB 3.45Å; S32-A35 PolarHBondContact O-N 2.71Å; S32-A35 VanDerWaalsContact O-N 3.11Å; S32-V36 PolarHBondContact O-N 3.39Å; S32-V36 VanDerWaalsContact O-N 3.11Å; S32-E49 PolarHBondContact OG-OE1 3.09Å
33A98.6Very high98Very high0 Ų033.2 Ų33.20%023%0.232CC..Hα-helixtrans-62.6-36.2178.700000112.9V5 A29 V36 L37 A46 A50V5-A33 HydrophobicContact CB-CB 4.46Å; V5-A33 HydrophobicContact CG1-CB 3.87Å; V5-A33 HydrophobicContact CG2-CB 4.18Å; A29-A33 WeakPolarHBondContact O-CB 3.38Å; A29-A33 PolarHBondContact O-N 2.99Å; A29-A33 VanDerWaalsContact O-N 3.07Å; A33-V36 WeakPolarHBondContact O-CB 3.44Å; A33-V36 PolarHBondContact O-N 3.5Å; A33-L37 PolarHBondContact O-N 3.25Å; A33-A46 HydrophobicContact CB-CB 4.41Å; A33-A46 VanDerWaalsContact CB-O 3.25Å; A33-A46 WeakPolarHBondContact CB-O 3.24Å; A33-A50 HydrophobicContact CB-CB 3.7Å
34Y98.4Very high98.1Very high10 Ų1032.4 Ų32.44%0.03923%0.227CC..Hα-helixtrans-69.4-36175.1-169.2-109.2000112P3 V30 R31 S32 V36 L37 Q38 A287 K289 G290 I306P3-Y34 HydrophobicContact CG-CE2 4.03Å; V30-Y34 WeakPolarHBondContact O-CB 3.46Å; V30-Y34 PolarHBondContact O-N 3.47Å; R31-Y34 PolarHBondContact O-N 2.98Å; S32-Y34 VanDerWaalsContact C-N 3.3Å; S32-Y34 PolarHBondContact O-N 3.16Å; Y34-V36 VanDerWaalsContact C-N 3.29Å; Y34-V36 PolarHBondContact O-N 3.14Å; Y34-L37 PolarHBondContact O-N 2.72Å; Y34-L37 VanDerWaalsContact O-N 3.13Å; Y34-Q38 HydrophobicContact CD1-CG 3.92Å; Y34-Q38 VanDerWaalsContact CD1-OE1 3.32Å; Y34-Q38 HydrophobicContact CE1-CG 3.66Å; Y34-Q38 WeakPolarHBondContact O-CG 3.46Å; Y34-Q38 PolarHBondContact O-N 3.16Å; Y34-A287 HydrophobicContact CD1-CB 4.1Å; Y34-A287 HydrophobicContact CD2-CB 3.6Å; Y34-A287 WeakPolarHBondContact CD2-O 2.98Å; Y34-A287 HydrophobicContact CE2-CB 4.28Å; Y34-A287 WeakPolarHBondContact CE2-O 3.22Å; Y34-A287 HydrophobicContact CG-CB 3.49Å; Y34-A287 VanDerWaalsContact CG-CB 3.49Å; Y34-K289 PolarHBondContact OH-N 3.12Å; Y34-K289 VanDerWaalsContact OH-N 3.08Å; Y34-G290 PolarHBondContact OH-N 3.29Å; Y34-I306 HydrophobicContact CD1-CD1 3.93Å; Y34-I306 HydrophobicContact CE1-CD1 4.25Å
35A97.9Very high98.2Very high53 Ų5332.4 Ų32.444%0.43822%0.221SC..Hα-helixtrans-61.7-36.6173.100000112R31 S32 L37 Q38 G39R31-A35 PolarHBondContact O-N 2.89Å; S32-A35 WeakPolarHBondContact O-CB 3.45Å; S32-A35 PolarHBondContact O-N 2.71Å; S32-A35 VanDerWaalsContact O-N 3.11Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 3.23Å; A35-Q38 PolarHBondContact O-N 2.94Å; A35-G39 PolarHBondContact O-N 3.2Å
36V98.4Very high98.2Very high41 Ų4132.2 Ų32.225%0.24822%0.219CC..Hα-helixtrans-56.8-47.8171.3174.30000110.8S32 A33 Y34 G39 G41 D45 A46 E49S32-V36 PolarHBondContact O-N 3.39Å; S32-V36 VanDerWaalsContact O-N 3.11Å; A33-V36 WeakPolarHBondContact O-CB 3.44Å; A33-V36 PolarHBondContact O-N 3.5Å; Y34-V36 VanDerWaalsContact C-N 3.29Å; Y34-V36 PolarHBondContact O-N 3.14Å; V36-G39 PolarHBondContact O-N 3.5Å; V36-G41 WeakPolarHBondContact O-CA 3.28Å; V36-G41 PolarHBondContact O-N 2.96Å; V36-D45 HydrophobicContact CG1-CB 4.07Å; V36-A46 HydrophobicContact CB-CB 4.4Å; V36-A46 HydrophobicContact CG1-CB 4.31Å; V36-E49 HydrophobicContact CG2-CB 4.25Å; V36-E49 HydrophobicContact CG2-CG 4.04Å
37L98.3Very high98.2Very high3 Ų332.2 Ų32.22%0.01622%0.219CC..Hα-helixtrans-69.2-37.9178.7-62.1-173.9000112.9P3 V5 A33 Y34 A35 G39 G40 G41 S42 A46 A172 D174P3-L37 HydrophobicContact CB-CB 3.67Å; P3-L37 HydrophobicContact CB-CD1 3.64Å; P3-L37 HydrophobicContact CB-CG 4.25Å; P3-L37 HydrophobicContact CG-CB 3.92Å; V5-L37 HydrophobicContact CG2-CD1 3.37Å; V5-L37 HydrophobicContact CG2-CG 4.1Å; A33-L37 PolarHBondContact O-N 3.25Å; Y34-L37 PolarHBondContact O-N 2.72Å; Y34-L37 VanDerWaalsContact O-N 3.13Å; A35-L37 VanDerWaalsContact C-N 3.34Å; A35-L37 PolarHBondContact O-N 3.23Å; L37-G39 PolarHBondContact O-N 3.13Å; L37-G40 PolarHBondContact O-N 2.96Å; L37-G41 WeakPolarHBondContact CD2-O 3.35Å; L37-S42 WeakPolarHBondContact CD2-O 3.49Å; L37-A46 HydrophobicContact CD1-CB 4.2Å; L37-A46 HydrophobicContact CD2-CB 3.61Å; L37-A46 HydrophobicContact CG-CB 3.68Å; L37-A172 HydrophobicContact CD1-CB 4.32Å; L37-D174 HydrophobicContact CD2-CB 4.04Å
38Q96.4Very high98.2Very high98 Ų9832.6 Ų32.646%0.45822%0.221SC..Hα-helixtrans-63.8-30.7174.8-73.1-174.8-7400112.1Y34 A35 G40Y34-Q38 HydrophobicContact CD1-CG 3.92Å; Y34-Q38 VanDerWaalsContact CD1-OE1 3.32Å; Y34-Q38 HydrophobicContact CE1-CG 3.66Å; Y34-Q38 WeakPolarHBondContact O-CG 3.46Å; Y34-Q38 PolarHBondContact O-N 3.16Å; A35-Q38 PolarHBondContact O-N 2.94Å; Q38-G40 PolarHBondContact O-N 3.46Å
39G96.3Very high98.3Very high71 Ų7131.5 Ų31.573%0.73221%0.208SC*.THydrogen-bonded Turntrans-76.72.1172.400000114.9A35 V36 L37A35-G39 PolarHBondContact O-N 3.2Å; V36-G39 PolarHBondContact O-N 3.5Å; L37-G39 PolarHBondContact O-N 3.13Å
40G96.6Very high98.3Very high60 Ų6031.4 Ų31.462%0.61921%0.208SC*.THydrogen-bonded Turntrans81.416.2-177.600000114.5L37 Q38L37-G40 PolarHBondContact O-N 2.96Å; Q38-G40 PolarHBondContact O-N 3.46Å
41G97.9Very high98.3Very high22 Ų2231.4 Ų31.423%0.22721%0.208CC..  trans-70.9166172.500000113.1V36 L37V36-G41 WeakPolarHBondContact O-CA 3.28Å; V36-G41 PolarHBondContact O-N 2.96Å; L37-G41 WeakPolarHBondContact CD2-O 3.35Å
42S98.6Very high98.3Very high38 Ų3828.9 Ų28.927%0.26620%0.2SC..  trans-79.4159.4-178.573.10000112.9L37 M44 D45 A46L37-S42 WeakPolarHBondContact CD2-O 3.49Å; S42-M44 PolarHBondContact O-N 3.21Å; S42-D45 PolarHBondContact O-N 2.61Å; S42-D45 PolarHBondContact OG-N 2.9Å; S42-D45 VanDerWaalsContact OG-N 3.1Å; S42-D45 PolarHBondContact OG-OD2 2.9Å; S42-A46 PolarHBondContact O-N 2.88Å; S42-A46 VanDerWaalsContact O-N 3.07Å
43S98.8Very high98.3Very high2 Ų229.5 Ų29.51%0.01420%0.2CC..Hα-helixtrans-59.5-36.2172.654.90000112.2A46 V47 D174 N178S43-A46 PolarHBondContact O-N 3.32Å; S43-V47 WeakPolarHBondContact O-CG2 3.46Å; S43-V47 PolarHBondContact O-N 2.85Å; S43-D174 PolarHBondContact N-OD2 3.47Å; S43-N178 WeakPolarHBondContact CB-O 3.33Å; S43-N178 PolarHBondContact OG-O 3.5Å
44M98.8Very high98.3Very high7 Ų729.5 Ų29.53%0.03420%0.2CC..Hα-helixtrans-62.3-45.7175.1177.96068.500111.8S42 A46 V47 V48 V80 M81 D82 R105 M108 A180S42-M44 PolarHBondContact O-N 3.21Å; M44-A46 VanDerWaalsContact C-N 3.32Å; M44-A46 PolarHBondContact O-N 2.89Å; M44-V47 VanDerWaalsContact O-CG2 3.25Å; M44-V47 WeakPolarHBondContact O-CG2 3.31Å; M44-V47 PolarHBondContact O-N 3.37Å; M44-V47 HydrophobicContact SD-CG2 4.29Å; M44-V48 VanDerWaalsContact O-CG2 3.31Å; M44-V48 WeakPolarHBondContact O-CG2 3.13Å; M44-V48 PolarHBondContact O-N 3.07Å; M44-V48 VanDerWaalsContact O-N 3.09Å; M44-V48 HydrophobicContact SD-CG2 4.04Å; M44-V80 HydrophobicContact CE-CB 4.31Å; M44-V80 HydrophobicContact SD-CB 3.97Å; M44-V80 HydrophobicContact SD-CG2 4.35Å; M44-M81 WeakPolarHBondContact CE-O 3.42Å; M44-D82 HydrophobicContact CE-CB 3.69Å; M44-D82 VanDerWaalsContact CE-N 3.31Å; M44-R105 VanDerWaalsContact CG-CZ 3.47Å; M44-M108 HydrophobicContact CE-CE 3.83Å; M44-M108 HydrophobicContact CE-SD 3.97Å; M44-M108 HydrophobicContact CG-CE 4.49Å; M44-M108 HydrophobicContact SD-CE 4.34Å; M44-A180 HydrophobicContact CB-CB 4.22Å; M44-A180 HydrophobicContact CE-CB 4.28Å
45D98.8Very high98.3Very high68 Ų6829 Ų2936%0.36420%0.198SC..Hα-helixtrans-67.2-36.9179.7-57.5-35.8000111.2V36 S42 V48 E49 R105V36-D45 HydrophobicContact CG1-CB 4.07Å; S42-D45 PolarHBondContact O-N 2.61Å; S42-D45 PolarHBondContact OG-N 2.9Å; S42-D45 VanDerWaalsContact OG-N 3.1Å; S42-D45 PolarHBondContact OG-OD2 2.9Å; D45-V48 PolarHBondContact O-N 2.91Å; D45-E49 VanDerWaalsContact O-CB 3.31Å; D45-E49 WeakPolarHBondContact O-CB 3.35Å; D45-E49 PolarHBondContact O-N 2.94Å; D45-R105 IonicContact OD1-CZ 3.35Å; D45-R105 IonicContact OD1-NH1 3.51Å; D45-R105 PolarHBondContact OD1-NH1 3.46Å; D45-R105 IonicContact OD1-NH2 3.56Å
46A98.9Very high98.4Very high0 Ų030.3 Ų30.30%020%0.197CC..Hα-helixtrans-63.7-44.7175.600000113.2V5 A33 V36 L37 S42 S43 M44 E49 A50 A172V5-A46 HydrophobicContact CG2-CB 4.21Å; A33-A46 HydrophobicContact CB-CB 4.41Å; A33-A46 VanDerWaalsContact CB-O 3.25Å; A33-A46 WeakPolarHBondContact CB-O 3.24Å; V36-A46 HydrophobicContact CB-CB 4.4Å; V36-A46 HydrophobicContact CG1-CB 4.31Å; L37-A46 HydrophobicContact CD1-CB 4.2Å; L37-A46 HydrophobicContact CD2-CB 3.61Å; L37-A46 HydrophobicContact CG-CB 3.68Å; S42-A46 PolarHBondContact O-N 2.88Å; S42-A46 VanDerWaalsContact O-N 3.07Å; S43-A46 PolarHBondContact O-N 3.32Å; M44-A46 VanDerWaalsContact C-N 3.32Å; M44-A46 PolarHBondContact O-N 2.89Å; A46-E49 PolarHBondContact O-N 3.47Å; A46-A50 WeakPolarHBondContact O-CB 3.48Å; A46-A50 PolarHBondContact O-N 2.8Å; A46-A172 HydrophobicContact CB-CB 4.31Å
47V98.9Very high98.4Very high0 Ų030.3 Ų30.30%020%0.196CC..Hα-helixtrans-69.8-34.8178.8-62.70000112.5S43 M44 A51 A170 A172 A180 A182S43-V47 WeakPolarHBondContact O-CG2 3.46Å; S43-V47 PolarHBondContact O-N 2.85Å; M44-V47 VanDerWaalsContact O-CG2 3.25Å; M44-V47 WeakPolarHBondContact O-CG2 3.31Å; M44-V47 PolarHBondContact O-N 3.37Å; M44-V47 HydrophobicContact SD-CG2 4.29Å; V47-A51 WeakPolarHBondContact O-CB 3.48Å; V47-A51 PolarHBondContact O-N 3.04Å; V47-A170 HydrophobicContact CB-CB 4.03Å; V47-A170 HydrophobicContact CG1-CB 4.06Å; V47-A172 HydrophobicContact CG1-CB 3.59Å; V47-A180 HydrophobicContact CG1-CB 4.46Å; V47-A180 HydrophobicContact CG2-CB 3.92Å; V47-A182 HydrophobicContact CB-CB 3.82Å; V47-A182 HydrophobicContact CG2-CB 3.85Å
48V98.9Very high98.3Very high15 Ų1533 Ų339%0.09121%0.214CC..Hα-helixtrans-65.8-45174.6170.80000110.7M44 D45 A51 M52 V80 V101 Q102 R105M44-V48 VanDerWaalsContact O-CG2 3.31Å; M44-V48 WeakPolarHBondContact O-CG2 3.13Å; M44-V48 PolarHBondContact O-N 3.07Å; M44-V48 VanDerWaalsContact O-N 3.09Å; M44-V48 HydrophobicContact SD-CG2 4.04Å; D45-V48 PolarHBondContact O-N 2.91Å; V48-A51 PolarHBondContact O-N 3.21Å; V48-M52 VanDerWaalsContact O-CB 3.23Å; V48-M52 WeakPolarHBondContact O-CB 3.14Å; V48-M52 PolarHBondContact O-N 2.9Å; V48-V80 HydrophobicContact CG2-CG1 4Å; V48-V101 HydrophobicContact CG1-CG1 4.49Å; V48-Q102 HydrophobicContact CG1-CG 4.35Å; V48-R105 HydrophobicContact CG2-CB 4.45Å
49E98.9Very high98.2Very high46 Ų4629.3 Ų29.322%0.21520%0.199CC..Hα-helixtrans-58.3-48.3175.2175.361.3-161.400111.5S32 V36 D45 A46 A51 M52 L53S32-E49 PolarHBondContact OG-OE1 3.09Å; V36-E49 HydrophobicContact CG2-CB 4.25Å; V36-E49 HydrophobicContact CG2-CG 4.04Å; D45-E49 VanDerWaalsContact O-CB 3.31Å; D45-E49 WeakPolarHBondContact O-CB 3.35Å; D45-E49 PolarHBondContact O-N 2.94Å; A46-E49 PolarHBondContact O-N 3.47Å; E49-A51 PolarHBondContact O-N 3.48Å; E49-M52 PolarHBondContact O-N 2.93Å; E49-M52 WeakPolarHBondContact OE2-CE 3.23Å; E49-L53 PolarHBondContact O-N 2.73Å; E49-L53 WeakPolarHBondContact OE1-CD1 3.31Å
50A98.9Very high98.3Very high0 Ų026.2 Ų26.20%017%0.165CC..Hα-helixtrans-60.6-47.9179.900000111.7V7 A33 A46 L53 L54 A170V7-A50 HydrophobicContact CG2-CB 3.86Å; A33-A50 HydrophobicContact CB-CB 3.7Å; A46-A50 WeakPolarHBondContact O-CB 3.48Å; A46-A50 PolarHBondContact O-N 2.8Å; A50-L53 PolarHBondContact O-N 3Å; A50-L54 VanDerWaalsContact O-CG 3.31Å; A50-L54 WeakPolarHBondContact O-CG 3.25Å; A50-L54 PolarHBondContact O-N 3.46Å; A50-A170 HydrophobicContact CB-CB 3.76Å
51A98.8Very high98.3Very high0 Ų023.9 Ų23.90%014%0.138CC..Hα-helixtrans-65.3-41.6-179.800000111.8V47 V48 E49 L53 L54 E55 V101 A182V47-A51 WeakPolarHBondContact O-CB 3.48Å; V47-A51 PolarHBondContact O-N 3.04Å; V48-A51 PolarHBondContact O-N 3.21Å; E49-A51 PolarHBondContact O-N 3.48Å; A51-L53 PolarHBondContact O-N 3.41Å; A51-L54 PolarHBondContact O-N 3.44Å; A51-L54 VanDerWaalsContact O-N 3.16Å; A51-E55 WeakPolarHBondContact O-CG 3.35Å; A51-E55 PolarHBondContact O-N 3.04Å; A51-V101 HydrophobicContact CB-CB 4.13Å; A51-V101 HydrophobicContact CB-CG1 4.01Å; A51-V101 HydrophobicContact CB-CG2 3.82Å; A51-A182 HydrophobicContact CB-CB 4.08Å
52M98.8Very high98.3Very high32 Ų3222.8 Ų22.816%0.15813%0.128CC..Hα-helixtrans-61.2-42.8177.3-178.1-171.36400111.6V48 E49 L54 E55 N56 N99 V101 Q102V48-M52 VanDerWaalsContact O-CB 3.23Å; V48-M52 WeakPolarHBondContact O-CB 3.14Å; V48-M52 PolarHBondContact O-N 2.9Å; E49-M52 PolarHBondContact O-N 2.93Å; E49-M52 WeakPolarHBondContact OE2-CE 3.23Å; M52-L54 VanDerWaalsContact C-N 3.27Å; M52-L54 PolarHBondContact O-N 2.99Å; M52-E55 WeakPolarHBondContact O-CB 3.33Å; M52-E55 PolarHBondContact O-N 3.08Å; M52-N56 WeakPolarHBondContact O-CB 3.12Å; M52-N56 PolarHBondContact O-N 2.93Å; M52-N56 PolarHBondContact O-ND2 2.91Å; M52-N99 HydrophobicContact CG-CB 4.43Å; M52-N99 WeakPolarHBondContact CG-ND2 3.38Å; M52-V101 HydrophobicContact CB-CG1 4.2Å; M52-Q102 HydrophobicContact SD-CG 4.39Å; M52-Q102 PolarHBondContact SD-NE2 2.82Å
53L98.8Very high98.3Very high53 Ų5321 Ų2128%0.27712%0.115SC..Hα-helixtrans-63.6-34176-76.3178.1000112.9A29 E49 A50 A51 N57A29-L53 HydrophobicContact CB-CB 4.3Å; E49-L53 PolarHBondContact O-N 2.73Å; E49-L53 WeakPolarHBondContact OE1-CD1 3.31Å; A50-L53 PolarHBondContact O-N 3Å; A51-L53 PolarHBondContact O-N 3.41Å; L53-N57 WeakPolarHBondContact O-CB 3.43Å; L53-N57 PolarHBondContact O-N 3.04Å
54L98.8Very high98.3Very high1 Ų122.4 Ų22.41%0.00513%0.125CC..Hα-helixtrans-74.9-36.4175.7-62.7168.1000112V7 V26 A29 A50 A51 M52 N56 N57 F60 V168V7-L54 HydrophobicContact CG1-CD1 3.44Å; V7-L54 VanDerWaalsContact CG1-CD1 3.44Å; V26-L54 HydrophobicContact CG1-CD2 4.4Å; A29-L54 HydrophobicContact CB-CD1 4.23Å; A29-L54 HydrophobicContact CB-CD2 3.71Å; A29-L54 HydrophobicContact CB-CG 3.75Å; A50-L54 VanDerWaalsContact O-CG 3.31Å; A50-L54 WeakPolarHBondContact O-CG 3.25Å; A50-L54 PolarHBondContact O-N 3.46Å; A51-L54 PolarHBondContact O-N 3.44Å; A51-L54 VanDerWaalsContact O-N 3.16Å; M52-L54 VanDerWaalsContact C-N 3.27Å; M52-L54 PolarHBondContact O-N 2.99Å; L54-N56 VanDerWaalsContact C-N 3.26Å; L54-N56 PolarHBondContact O-N 3.2Å; L54-N57 PolarHBondContact O-N 3.07Å; L54-F60 HydrophobicContact CB-CD2 4.36Å; L54-F60 HydrophobicContact CD2-CD2 3.79Å; L54-F60 HydrophobicContact CD2-CE1 4.28Å; L54-F60 HydrophobicContact CD2-CE2 3.43Å; L54-F60 VanDerWaalsContact CD2-CE2 3.43Å; L54-F60 HydrophobicContact CD2-CG 4.33Å; L54-F60 HydrophobicContact CD2-CZ 3.71Å; L54-V168 HydrophobicContact CB-CB 3.89Å; L54-V168 HydrophobicContact CB-CG1 3.93Å; L54-V168 HydrophobicContact CB-CG2 3.92Å; L54-V168 HydrophobicContact CD1-CB 3.78Å; L54-V168 HydrophobicContact CD1-CG1 4.34Å; L54-V168 HydrophobicContact CD1-CG2 4.37Å; L54-V168 HydrophobicContact CG-CB 4.45Å
55E98.9Very high98.2Very high0 Ų022.5 Ų22.50%013%0.127CC..Hα-helixtrans-62.7-32.8171.2-75.3175.3160.700112.6A51 M52 N57 A62 G63 C64 N99 P100 V101 S184A51-E55 WeakPolarHBondContact O-CG 3.35Å; A51-E55 PolarHBondContact O-N 3.04Å; M52-E55 WeakPolarHBondContact O-CB 3.33Å; M52-E55 PolarHBondContact O-N 3.08Å; E55-N57 VanDerWaalsContact C-N 3.3Å; E55-A62 HydrophobicContact CG-CB 3.89Å; E55-G63 CarbonylContact O-C 3.47Å; E55-G63 WeakPolarHBondContact O-CA 3.5Å; E55-C64 PolarHBondContact O-N 2.77Å; E55-N99 WeakPolarHBondContact OE2-CA 3.3Å; E55-N99 VanDerWaalsContact OE2-CB 3.25Å; E55-N99 WeakPolarHBondContact OE2-CB 3.23Å; E55-N99 PolarHBondContact OE2-ND2 2.88Å; E55-P100 VanDerWaalsContact OE1-CD 3.31Å; E55-P100 WeakPolarHBondContact OE1-CD 3.36Å; E55-V101 WeakPolarHBondContact OE1-CB 3.34Å; E55-V101 PolarHBondContact OE1-N 2.74Å; E55-V101 VanDerWaalsContact OE2-CG1 3.3Å; E55-V101 WeakPolarHBondContact OE2-CG1 3.35Å; E55-S184 VanDerWaalsContact OE1-CB 3.25Å; E55-S184 WeakPolarHBondContact OE1-CB 3.2Å; E55-S184 PolarHBondContact OE1-OG 3Å
56N98.7Very high98.1Very high79 Ų7919.3 Ų19.342%0.42211%0.11SC..THydrogen-bonded Turntrans-82.1-10.5177.6-68.4-21.1000112.9M52 L54 N99M52-N56 WeakPolarHBondContact O-CB 3.12Å; M52-N56 PolarHBondContact O-N 2.93Å; M52-N56 PolarHBondContact O-ND2 2.91Å; L54-N56 VanDerWaalsContact C-N 3.26Å; L54-N56 PolarHBondContact O-N 3.2Å; N56-N99 PolarHBondContact OD1-ND2 2.94Å
57N97.9Very high98Very high41 Ų4119.5 Ų19.522%0.21911%0.111CC..  trans-96.9113.1-178.8-178.5-24000110.6L53 L54 E55 S59 F60L53-N57 WeakPolarHBondContact O-CB 3.43Å; L53-N57 PolarHBondContact O-N 3.04Å; L54-N57 PolarHBondContact O-N 3.07Å; E55-N57 VanDerWaalsContact C-N 3.3Å; N57-S59 PolarHBondContact O-N 3.34Å; N57-S59 WeakPolarHBondContact OD1-CB 3.46Å; N57-S59 PolarHBondContact OD1-N 3.19Å; N57-S59 PolarHBondContact OD1-OG 3.36Å; N57-F60 HydrophobicContact CB-CD2 3.8Å; N57-F60 HydrophobicContact CB-CE2 4.08Å; N57-F60 PolarHBondContact O-N 3.41Å
58P96.8Very high97.8Very high61 Ų6119.5 Ų19.540%0.39611%0.111SC..THydrogen-bonded Turntrans-64-3.4-17628.5-36.9000114.2R18 F60 C64 T140R18-P58 PolarHBondContact NH2-O 3.45Å; P58-F60 VanDerWaalsContact C-N 3.33Å; P58-C64 WeakPolarHBondContact CA-O 3.49Å; P58-T140 HydrophobicContact CB-CG2 3.57Å
59S95.1Very high97.7Very high19 Ų1918.8 Ų18.813%0.13311%0.107CC..THydrogen-bonded Turntrans-75.8-22.2175-55.80000113R18 N57R18-S59 VanDerWaalsContact NH2-C 3.31Å; R18-S59 PolarHBondContact NH2-O 3.34Å; N57-S59 PolarHBondContact O-N 3.34Å; N57-S59 WeakPolarHBondContact OD1-CB 3.46Å; N57-S59 PolarHBondContact OD1-N 3.19Å; N57-S59 PolarHBondContact OD1-OG 3.36Å
60F97.1Very high97.4Very high6 Ų620.9 Ų20.93%0.02612%0.119CC..SBendtrans-108.3159.8-174.1-58.8-78.5000112.9G9 S22 V26 L54 N57 P58 A62 G65 V168G9-F60 WeakPolarHBondContact O-CD1 3.45Å; S22-F60 WeakPolarHBondContact O-CZ 3.25Å; V26-F60 HydrophobicContact CG1-CE1 4.01Å; V26-F60 HydrophobicContact CG1-CZ 4.01Å; L54-F60 HydrophobicContact CB-CD2 4.36Å; L54-F60 HydrophobicContact CD2-CD2 3.79Å; L54-F60 HydrophobicContact CD2-CE1 4.28Å; L54-F60 HydrophobicContact CD2-CE2 3.43Å; L54-F60 VanDerWaalsContact CD2-CE2 3.43Å; L54-F60 HydrophobicContact CD2-CG 4.33Å; L54-F60 HydrophobicContact CD2-CZ 3.71Å; N57-F60 HydrophobicContact CB-CD2 3.8Å; N57-F60 HydrophobicContact CB-CE2 4.08Å; N57-F60 PolarHBondContact O-N 3.41Å; P58-F60 VanDerWaalsContact C-N 3.33Å; F60-A62 VanDerWaalsContact C-N 3.33Å; F60-A62 PolarHBondContact O-N 2.87Å; F60-G65 CarbonylContact O-C 3.56Å; F60-G65 WeakPolarHBondContact O-CA 3.45Å; F60-V168 HydrophobicContact CB-CG1 3.57Å; F60-V168 HydrophobicContact CD1-CG1 4.07Å; F60-V168 HydrophobicContact CG-CG1 3.96Å
61N97.6Very high97.2Very high11 Ų1126.8 Ų26.86%0.05915%0.145CC..SBendtrans-94.464.3179.5172.339.6000110.7S66 V67 G166 T185 G186 G187N61-S66 WeakPolarHBondContact OD1-CA 3.09Å; N61-V67 HydrophobicContact CB-CG1 4.39Å; N61-V67 WeakPolarHBondContact OD1-CG1 3.4Å; N61-V67 VanDerWaalsContact OD1-CG2 3.32Å; N61-V67 WeakPolarHBondContact OD1-CG2 3.46Å; N61-V67 PolarHBondContact OD1-N 3.05Å; N61-G166 WeakPolarHBondContact CB-O 3.42Å; N61-G166 VanDerWaalsContact CG-O 3.22Å; N61-G166 PolarHBondContact ND2-O 3.23Å; N61-T185 CarbonylContact O-C 3.55Å; N61-T185 WeakPolarHBondContact O-CA 3.18Å; N61-G186 PolarHBondContact O-N 3.46Å; N61-G186 WeakPolarHBondContact OD1-CA 3.23Å; N61-G187 PolarHBondContact ND2-O 3.06Å
62A98.2Very high97Very high0 Ų027.4 Ų27.40%015%0.151CC..SBendtrans-158.3152.7171.200000107.7E55 F60 C64 S66 V168E55-A62 HydrophobicContact CG-CB 3.89Å; F60-A62 VanDerWaalsContact C-N 3.33Å; F60-A62 PolarHBondContact O-N 2.87Å; A62-C64 CarbonylContact O-C 3.54Å; A62-C64 PolarHBondContact O-N 2.94Å; A62-S66 VanDerWaalsContact C-OG 3.29Å; A62-S66 WeakPolarHBondContact CA-OG 3.46Å; A62-V168 HydrophobicContact CB-CB 4.48Å; A62-V168 HydrophobicContact CB-CG1 4.18Å; A62-V168 HydrophobicContact CB-CG2 3.53Å
63G98.5Very high97Very high0 Ų028.9 Ų28.90%016%0.158CC..SBendtrans51.9-128.8-177.200000112.3E55 G65 S66 M76 A98E55-G63 CarbonylContact O-C 3.47Å; E55-G63 WeakPolarHBondContact O-CA 3.5Å; G63-G65 PolarHBondContact O-N 2.79Å; G63-S66 PolarHBondContact N-OG 3.06Å; G63-S66 WeakPolarHBondContact O-CB 3.17Å; G63-S66 PolarHBondContact O-N 3.36Å; G63-S66 PolarHBondContact O-OG 2.84Å; G63-M76 WeakPolarHBondContact CA-SD 3.42Å; G63-A98 WeakPolarHBondContact CA-O 3.09Å
64C98.1Very high97Very high32 Ų3226.4 Ų26.422%0.21615%0.145CC..THydrogen-bonded Turntrans-70.8121.7169.4-178.50000110.7E55 P58 A62 L138E55-C64 PolarHBondContact O-N 2.77Å; P58-C64 WeakPolarHBondContact CA-O 3.49Å; A62-C64 CarbonylContact O-C 3.54Å; A62-C64 PolarHBondContact O-N 2.94Å; C64-L138 HydrophobicContact CB-CD2 4.46Å
65G96.6Very high97Very high9 Ų926.6 Ų26.69%0.09315%0.146CC..THydrogen-bonded Turntrans108.2-6-172.100000114F60 G63 L138F60-G65 CarbonylContact O-C 3.56Å; F60-G65 WeakPolarHBondContact O-CA 3.45Å; G63-G65 PolarHBondContact O-N 2.79Å; G65-L138 PolarHBondContact N-O 3.31Å
66S97.6Very high96.9Very high0 Ų026.6 Ų26.60%015%0.146CC..PPolyproline II helixtrans-50.8141.6172-68.60000112.8N61 A62 G63 S143N61-S66 WeakPolarHBondContact OD1-CA 3.09Å; A62-S66 VanDerWaalsContact C-OG 3.29Å; A62-S66 WeakPolarHBondContact CA-OG 3.46Å; G63-S66 PolarHBondContact N-OG 3.06Å; G63-S66 WeakPolarHBondContact O-CB 3.17Å; G63-S66 PolarHBondContact O-N 3.36Å; G63-S66 PolarHBondContact O-OG 2.84Å; S66-S143 WeakPolarHBondContact O-CB 3.46Å
67V95.7Very high97Very high4 Ų422.8 Ų22.82%0.02413%0.125CC..PPolyproline II helixtrans-67.7157.3172.3-64.50000111N61 G187 M188 L189N61-V67 HydrophobicContact CB-CG1 4.39Å; N61-V67 WeakPolarHBondContact OD1-CG1 3.4Å; N61-V67 VanDerWaalsContact OD1-CG2 3.32Å; N61-V67 WeakPolarHBondContact OD1-CG2 3.46Å; N61-V67 PolarHBondContact OD1-N 3.05Å; V67-G187 WeakPolarHBondContact CG2-O 3.4Å; V67-M188 VanDerWaalsContact CG2-C 3.48Å; V67-L189 HydrophobicContact CB-CB 4.22Å; V67-L189 HydrophobicContact CB-CD1 4.18Å; V67-L189 HydrophobicContact CG1-CB 4.34Å
68L96.4Very high97Very high0 Ų020.9 Ų20.90%012%0.115CC..PPolyproline II helixtrans-97.1142.5-175.8-48.3-175.4000111.3E73 V74 I139 W147 N190L68-E73 WeakPolarHBondContact CA-O 3.45Å; L68-V74 HydrophobicContact CD2-CG2 3.65Å; L68-I139 HydrophobicContact CD1-CG2 4.19Å; L68-I139 HydrophobicContact CD2-CD1 4.1Å; L68-I139 HydrophobicContact CD2-CG1 3.8Å; L68-I139 HydrophobicContact CD2-CG2 4.16Å; L68-W147 HydrophobicContact CB-CB 4.03Å; L68-W147 HydrophobicContact CB-CG 3.91Å; L68-W147 HydrophobicContact CD1-CB 3.74Å; L68-W147 HydrophobicContact CD1-CD2 4.29Å; L68-W147 HydrophobicContact CD1-CG 3.93Å; L68-W147 HydrophobicContact CG-CB 4.17Å; L68-W147 HydrophobicContact CG-CG 4.42Å; L68-N190 PolarHBondContact O-N 2.97Å
69N95.5Very high97.1Very high0 Ų018 Ų180%010%0.096CC..  trans-73.5-178171.572.412.2000111.5K71 G72 E73 E75 W147 K191N69-K71 PolarHBondContact O-N 2.84Å; N69-K71 VanDerWaalsContact O-N 3.11Å; N69-K71 WeakPolarHBondContact OD1-CA 3.27Å; N69-K71 WeakPolarHBondContact OD1-CB 3.5Å; N69-K71 PolarHBondContact OD1-N 3.39Å; N69-G72 PolarHBondContact O-N 3.33Å; N69-G72 PolarHBondContact OD1-N 3.09Å; N69-E73 PolarHBondContact N-O 3.04Å; N69-E73 PolarHBondContact OD1-N 3.41Å; N69-E73 PolarHBondContact OD1-O 3.13Å; N69-E75 PolarHBondContact ND2-OE2 3.41Å; N69-W147 VanDerWaalsContact O-CD1 3.31Å; N69-W147 PolarHBondContact O-NE1 3.36Å; N69-K191 WeakPolarHBondContact CA-O 3.38Å; N69-K191 HydrophobicContact CB-CG 3.91Å; N69-K191 WeakPolarHBondContact CB-O 3.49Å
70L93.3Very high97.3Very high90 Ų9017 Ų1747%0.4719%0.09SC..THydrogen-bonded Turntrans-56.8-26.7179.5-73.1175.1000114.3G72 N190 K191 M192L70-G72 VanDerWaalsContact C-N 3.35Å; L70-N190 HydrophobicContact CD2-CB 3.94Å; L70-N190 WeakPolarHBondContact CD2-O 3.26Å; L70-N190 WeakPolarHBondContact CG-O 3.47Å; L70-K191 WeakPolarHBondContact CG-O 3.26Å; L70-K191 PolarHBondContact N-O 3.39Å; L70-M192 HydrophobicContact CD1-CG 4.08Å
71K94.2Very high97.4Very high125 Ų12517 Ų1754%0.5439%0.089SC..THydrogen-bonded Turntrans-86.7-4178.1-67.2-178.2171.4176.30113.7N69 E73 E193N69-K71 PolarHBondContact O-N 2.84Å; N69-K71 VanDerWaalsContact O-N 3.11Å; N69-K71 WeakPolarHBondContact OD1-CA 3.27Å; N69-K71 WeakPolarHBondContact OD1-CB 3.5Å; N69-K71 PolarHBondContact OD1-N 3.39Å; K71-E73 HydrophobicContact CB-CG 4.07Å; K71-E193 WeakPolarHBondContact CE-OE2 3.44Å; K71-E193 IonicContact NZ-OE1 2.74Å; K71-E193 PolarHBondContact NZ-OE1 3.4Å; K71-E193 VanDerWaalsContact NZ-OE1 3.14Å; K71-E193 IonicContact NZ-OE2 2.62Å; K71-E193 PolarHBondContact NZ-OE2 2.98Å
72G95.7Very high97.4Very high13 Ų1317.7 Ų17.713%0.1349%0.093CC..SBendtrans8219.2-175.600000113.4N69 L70 W147N69-G72 PolarHBondContact O-N 3.33Å; N69-G72 PolarHBondContact OD1-N 3.09Å; L70-G72 VanDerWaalsContact C-N 3.35Å; G72-W147 VanDerWaalsContact CA-CE2 3.43Å
73E97.6Very high97.5Very high63 Ų6317.8 Ų17.829%0.2949%0.094SC..  trans-107153.9-177.1-56.2176147.700111.2L68 N69 K71 R95L68-E73 WeakPolarHBondContact CA-O 3.45Å; N69-E73 PolarHBondContact N-O 3.04Å; N69-E73 PolarHBondContact OD1-N 3.41Å; N69-E73 PolarHBondContact OD1-O 3.13Å; K71-E73 HydrophobicContact CB-CG 4.07Å; E73-R95 IonicContact OE1-NH1 3.95Å; E73-R95 IonicContact OE2-CZ 2.84Å; E73-R95 IonicContact OE2-NH1 3.73Å; E73-R95 PolarHBondContact OE2-NH1 2.87Å; E73-R95 IonicContact OE2-NH2 3.51Å
74V98.3Very high97.5Very high0 Ų024.5 Ų24.50%012%0.124CC..  trans-87.8127.5172.5172.30000109.7L68 M76 Q135 L138 I139L68-V74 HydrophobicContact CD2-CG2 3.65Å; V74-M76 HydrophobicContact CG1-CE 3.98Å; V74-M76 HydrophobicContact CG1-CG 3.65Å; V74-M76 HydrophobicContact CG1-SD 3.77Å; V74-Q135 PolarHBondContact O-NE2 3.21Å; V74-Q135 VanDerWaalsContact O-NE2 3.11Å; V74-L138 HydrophobicContact CB-CB 4.43Å; V74-L138 HydrophobicContact CB-CD1 4.5Å; V74-L138 HydrophobicContact CG1-CB 4.41Å; V74-L138 HydrophobicContact CG1-CD1 4.2Å; V74-L138 HydrophobicContact CG2-CB 4.15Å; V74-I139 HydrophobicContact CG2-CG1 3.84Å
75E98.4Very high97.5Very high5 Ų526.9 Ų26.92%0.02314%0.137CC..  trans-129.7127.8169.3-73.1178.6123.700108.1N69 V94 R95 G186 K191 E193 G194N69-E75 PolarHBondContact ND2-OE2 3.41Å; E75-V94 WeakPolarHBondContact CA-O 3.31Å; E75-R95 VanDerWaalsContact CD-NH2 3.32Å; E75-R95 HydrophobicContact CG-CG 4.06Å; E75-R95 IonicContact OE1-CZ 2.84Å; E75-R95 IonicContact OE1-NE 2.89Å; E75-R95 PolarHBondContact OE1-NE 2.9Å; E75-R95 IonicContact OE1-NH2 2.76Å; E75-R95 PolarHBondContact OE1-NH2 3.16Å; E75-G186 CarbonylContact O-C 3.52Å; E75-G186 VanDerWaalsContact O-O 3.07Å; E75-K191 PolarHBondContact O-NZ 3.46Å; E75-E193 WeakPolarHBondContact OE2-CA 3.46Å; E75-G194 PolarHBondContact OE1-N 3.26Å; E75-G194 PolarHBondContact OE2-N 3.02Å
76M98.8Very high97.6Very high0 Ų030.1 Ų30.10%015%0.152CC..EExtended strand (participates in β ladder)trans-121.3152-172.4-63.8166.2-65.800112.1G63 V74 A93 V94 I97 P100 L138 T185G63-M76 WeakPolarHBondContact CA-SD 3.42Å; V74-M76 HydrophobicContact CG1-CE 3.98Å; V74-M76 HydrophobicContact CG1-CG 3.65Å; V74-M76 HydrophobicContact CG1-SD 3.77Å; M76-A93 PolarHBondContact O-N 2.87Å; M76-A93 VanDerWaalsContact O-N 3.09Å; M76-V94 HydrophobicContact CB-CG2 4.15Å; M76-V94 PolarHBondContact N-O 3.04Å; M76-V94 WeakPolarHBondContact O-CG2 3.48Å; M76-V94 PolarHBondContact O-N 3.02Å; M76-I97 WeakPolarHBondContact CE-O 3.25Å; M76-P100 HydrophobicContact CB-CB 4.31Å; M76-P100 HydrophobicContact CB-CG 3.55Å; M76-P100 HydrophobicContact CE-CG 3.8Å; M76-P100 HydrophobicContact CG-CG 4.14Å; M76-P100 HydrophobicContact SD-CG 3.61Å; M76-L138 HydrophobicContact CE-CD1 3.86Å; M76-T185 VanDerWaalsContact CA-O 3.26Å; M76-T185 WeakPolarHBondContact CA-O 3.41Å
77D98.9Very high97.6Very high0 Ų032.7 Ų32.70%017%0.17CC..EExtended strand (participates in β ladder)trans-126.1144.3174.2-51.6-34.2000109.1V91 S92 A93 S184 T185 G197 T199 P200D77-V91 CarbonylContact C-O 3.6Å; D77-V91 VanDerWaalsContact CA-O 3.29Å; D77-V91 WeakPolarHBondContact CA-O 3.43Å; D77-S92 VanDerWaalsContact OD1-CA 3.23Å; D77-S92 WeakPolarHBondContact OD1-CA 3.15Å; D77-A93 PolarHBondContact OD1-N 2.8Å; D77-S184 WeakPolarHBondContact O-CA 3.46Å; D77-T185 HydrophobicContact CB-CG2 4.06Å; D77-T185 PolarHBondContact N-O 3.34Å; D77-T185 PolarHBondContact O-N 3.24Å; D77-G197 PolarHBondContact OD2-N 2.94Å; D77-T199 HydrophobicContact CB-CG2 4.29Å; D77-T199 WeakPolarHBondContact O-CG2 3.19Å; D77-P200 HydrophobicContact CB-CB 4.25Å; D77-P200 HydrophobicContact CB-CG 3.79Å
78A98.9Very high97.8Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-150.2156.5173.700000112.8A90 V91 P100 A104 T183A78-A90 CarbonylContact O-C 3.04Å; A78-A90 VanDerWaalsContact O-CA 3.22Å; A78-A90 WeakPolarHBondContact O-CA 3.31Å; A78-V91 HydrophobicContact CB-CG2 4.23Å; A78-V91 PolarHBondContact N-O 2.82Å; A78-V91 PolarHBondContact O-N 3.08Å; A78-P100 HydrophobicContact CB-CB 3.64Å; A78-A104 HydrophobicContact CB-CB 4.23Å; A78-T183 CarbonylContact C-O 3.47Å; A78-T183 WeakPolarHBondContact CA-O 3.39Å
79L98.9Very high97.9Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-139.8143.7177.3171.571.4000109.9G89 A90 A182 T183 T199 I202L79-G89 CarbonylContact C-O 3.55Å; L79-G89 WeakPolarHBondContact CA-O 3.29Å; L79-A90 HydrophobicContact CD1-CB 3.93Å; L79-A182 CarbonylContact O-C 3.54Å; L79-A182 VanDerWaalsContact O-CA 3.29Å; L79-A182 WeakPolarHBondContact O-CA 3.45Å; L79-T183 PolarHBondContact N-O 3.23Å; L79-T183 PolarHBondContact O-N 3.02Å; L79-T199 WeakPolarHBondContact CB-O 3.35Å; L79-I202 HydrophobicContact CD1-CG1 3.7Å
80V98.9Very high98.1Very high0 Ų033.4 Ų33.40%018%0.175CC..EExtended strand (participates in β ladder)trans-128.8149.5159.6-59.60000110.1M44 V48 S88 G89 V101 A104 R105 M108 C181 A182M44-V80 HydrophobicContact CE-CB 4.31Å; M44-V80 HydrophobicContact SD-CB 3.97Å; M44-V80 HydrophobicContact SD-CG2 4.35Å; V48-V80 HydrophobicContact CG2-CG1 4Å; V80-S88 WeakPolarHBondContact O-CA 3.46Å; V80-G89 PolarHBondContact N-O 2.98Å; V80-G89 PolarHBondContact O-N 3.44Å; V80-V101 HydrophobicContact CG1-CG2 3.61Å; V80-A104 HydrophobicContact CG1-CB 4.45Å; V80-A104 HydrophobicContact CG2-CB 4.45Å; V80-R105 HydrophobicContact CG2-CB 4.33Å; V80-M108 HydrophobicContact CG2-CB 4.42Å; V80-M108 HydrophobicContact CG2-SD 4.18Å; V80-C181 WeakPolarHBondContact CA-O 3.47Å; V80-A182 HydrophobicContact CG1-CB 4.01Å
81M98.9Very high98.3Very high4 Ų429.1 Ų29.12%0.0215%0.153CC..EExtended strand (participates in β ladder)trans-147.3132.1174.8-170.5171.6-178.300111.5M44 L86 S87 A180 C181 I202 Y207 A208M44-M81 WeakPolarHBondContact CE-O 3.42Å; M81-L86 HydrophobicContact CE-CB 3.96Å; M81-L86 HydrophobicContact CE-CD2 4Å; M81-S87 WeakPolarHBondContact CA-O 3.34Å; M81-A180 WeakPolarHBondContact O-CA 3.4Å; M81-C181 PolarHBondContact N-O 3.46Å; M81-C181 PolarHBondContact O-N 2.81Å; M81-C181 VanDerWaalsContact O-N 3.08Å; M81-I202 HydrophobicContact CE-CG2 4.42Å; M81-I202 HydrophobicContact SD-CG2 3.95Å; M81-Y207 HydrophobicContact CE-CD1 4.44Å; M81-Y207 HydrophobicContact CE-CD2 4.06Å; M81-Y207 HydrophobicContact CE-CE1 4.19Å; M81-Y207 HydrophobicContact CE-CE2 3.76Å; M81-Y207 HydrophobicContact CE-CG 4.43Å; M81-Y207 HydrophobicContact SD-CD1 4.48Å; M81-Y207 HydrophobicContact SD-CD2 3.76Å; M81-Y207 HydrophobicContact SD-CE2 4.07Å; M81-Y207 HydrophobicContact SD-CG 4.02Å; M81-A208 HydrophobicContact CB-CB 4.26Å; M81-A208 WeakPolarHBondContact CE-O 3.33Å; M81-A208 HydrophobicContact CG-CB 4.2Å; M81-A208 PolarHBondContact SD-N 3.42Å; M81-A208 VanDerWaalsContact SD-N 3.45Å
82D98.9Very high98.6Very high26 Ų2623.5 Ų23.514%0.13913%0.129CC..EExtended strand (participates in β ladder)trans-93.3123.5174.7169.652000110.1M44 K84 T85 L86 S87M44-D82 HydrophobicContact CE-CB 3.69Å; M44-D82 VanDerWaalsContact CE-N 3.31Å; D82-K84 VanDerWaalsContact C-N 3.32Å; D82-K84 PolarHBondContact O-N 2.89Å; D82-K84 PolarHBondContact OD1-N 2.87Å; D82-K84 PolarHBondContact OD2-N 3.06Å; D82-T85 WeakPolarHBondContact OD2-CB 3.41Å; D82-T85 PolarHBondContact OD2-N 3.38Å; D82-T85 PolarHBondContact OD2-OG1 3.19Å; D82-L86 WeakPolarHBondContact O-CA 3.39Å; D82-L86 PolarHBondContact O-N 3.26Å; D82-S87 PolarHBondContact N-O 2.98Å
83G98.8Very high98.7Very high2 Ų223.2 Ų23.22%0.02113%0.125CC..THydrogen-bonded Turntrans-74.1-20.7-178.600000114.2V179 N210G83-V179 VanDerWaalsContact CA-O 3.28Å; G83-V179 WeakPolarHBondContact CA-O 3.43Å; G83-V179 PolarHBondContact N-O 3.3Å; G83-N210 PolarHBondContact O-N 3.36Å
84K98.6Very high98.7Very high142 Ų14220.2 Ų20.262%0.61711%0.111SC*.THydrogen-bonded Turntrans-72.6-43-179.7-177.7179.7-176.8170.40112.2D82 N210D82-K84 VanDerWaalsContact C-N 3.32Å; D82-K84 PolarHBondContact O-N 2.89Å; D82-K84 PolarHBondContact OD1-N 2.87Å; D82-K84 PolarHBondContact OD2-N 3.06Å; K84-N210 WeakPolarHBondContact CA-ND2 3.34Å; K84-N210 PolarHBondContact N-OD1 3.45Å
85T98.4Very high98.7Very high82 Ų8222.9 Ų22.950%0.50312%0.122SC..THydrogen-bonded Turntrans-111.9-8.2-174630000113.5D82 S87D82-T85 WeakPolarHBondContact OD2-CB 3.41Å; D82-T85 PolarHBondContact OD2-N 3.38Å; D82-T85 PolarHBondContact OD2-OG1 3.19Å; T85-S87 PolarHBondContact O-N 3.18Å; T85-S87 VanDerWaalsContact O-N 3.16Å; T85-S87 VanDerWaalsContact OG1-CB 3.23Å; T85-S87 WeakPolarHBondContact OG1-CB 3.36Å; T85-S87 PolarHBondContact OG1-N 3.4Å; T85-S87 PolarHBondContact OG1-OG 2.9Å
86L98.7Very high98.7Very high76 Ų7624.5 Ų24.540%0.39813%0.13SC..  trans59.812.8-167.6-48.4179.2000113.2M81 D82 S88 A208 D209M81-L86 HydrophobicContact CE-CB 3.96Å; M81-L86 HydrophobicContact CE-CD2 4Å; D82-L86 WeakPolarHBondContact O-CA 3.39Å; D82-L86 PolarHBondContact O-N 3.26Å; L86-S88 PolarHBondContact O-N 2.91Å; L86-A208 WeakPolarHBondContact CD2-O 3.47Å; L86-D209 HydrophobicContact CD2-CB 3.88Å
87S98.7Very high98.7Very high54 Ų5424.8 Ų24.838%0.37813%0.132SC..  trans-60.4137.5173.1-60.30000108.9M81 D82 T85 M108M81-S87 WeakPolarHBondContact CA-O 3.34Å; D82-S87 PolarHBondContact N-O 2.98Å; T85-S87 PolarHBondContact O-N 3.18Å; T85-S87 VanDerWaalsContact O-N 3.16Å; T85-S87 VanDerWaalsContact OG1-CB 3.23Å; T85-S87 WeakPolarHBondContact OG1-CB 3.36Å; T85-S87 PolarHBondContact OG1-N 3.4Å; T85-S87 PolarHBondContact OG1-OG 2.9Å; S87-M108 VanDerWaalsContact C-SD 3.56Å; S87-M108 VanDerWaalsContact O-SD 3.4Å
88S98.7Very high98.7Very high19 Ų1926.2 Ų26.213%0.13314%0.144CC..EExtended strand (participates in β ladder)trans-143.3150.8-176.145.90000110.3V80 L86 I202V80-S88 WeakPolarHBondContact O-CA 3.46Å; L86-S88 PolarHBondContact O-N 2.91Å; S88-I202 WeakPolarHBondContact OG-CD1 3.35Å
89G98.9Very high98.6Very high0 Ų027.2 Ų27.20%015%0.149CC..EExtended strand (participates in β ladder)trans-143.4137.217400000109.5L79 V80 A104 A114L79-G89 CarbonylContact C-O 3.55Å; L79-G89 WeakPolarHBondContact CA-O 3.29Å; V80-G89 PolarHBondContact N-O 2.98Å; V80-G89 PolarHBondContact O-N 3.44Å; G89-A104 CarbonylContact C-O 3.58Å; G89-A104 WeakPolarHBondContact CA-O 3.44Å; G89-A114 CarbonylContact C-O 3.56Å; G89-A114 WeakPolarHBondContact CA-O 3.45Å
90A98.9Very high98.6Very high0 Ų027.2 Ų27.20%015%0.149CC..EExtended strand (participates in β ladder)trans-143.1151.5-176.700000111.2A78 L79 A114 C115 L116 P200A78-A90 CarbonylContact O-C 3.04Å; A78-A90 VanDerWaalsContact O-CA 3.22Å; A78-A90 WeakPolarHBondContact O-CA 3.31Å; L79-A90 HydrophobicContact CD1-CB 3.93Å; A90-A114 PolarHBondContact N-O 3.29Å; A90-C115 HydrophobicContact CB-CB 4.07Å; A90-C115 VanDerWaalsContact O-CA 3.32Å; A90-C115 WeakPolarHBondContact O-CA 3.26Å; A90-L116 PolarHBondContact O-N 3Å; A90-P200 HydrophobicContact CB-CB 4.1Å; A90-P200 WeakPolarHBondContact CB-O 3.43Å
91V98.9Very high98.6Very high0 Ų027.2 Ų27.20%015%0.149CC..EExtended strand (participates in β ladder)trans-134.9146.5170.3-66.70000110.8D77 A78 V94 P100 L103 A104 V107 L116 A121 P200D77-V91 CarbonylContact C-O 3.6Å; D77-V91 VanDerWaalsContact CA-O 3.29Å; D77-V91 WeakPolarHBondContact CA-O 3.43Å; A78-V91 HydrophobicContact CB-CG2 4.23Å; A78-V91 PolarHBondContact N-O 2.82Å; A78-V91 PolarHBondContact O-N 3.08Å; V91-V94 HydrophobicContact CB-CG1 3.77Å; V91-V94 HydrophobicContact CG1-CG1 4.45Å; V91-V94 HydrophobicContact CG2-CG1 4.1Å; V91-V94 HydrophobicContact CG2-CG2 4.03Å; V91-P100 HydrophobicContact CG2-CB 4.36Å; V91-L103 HydrophobicContact CB-CD2 4.39Å; V91-L103 HydrophobicContact CG1-CB 4.49Å; V91-L103 HydrophobicContact CG1-CD2 3.78Å; V91-L103 HydrophobicContact CG1-CG 3.8Å; V91-L103 HydrophobicContact CG2-CD2 4.38Å; V91-A104 HydrophobicContact CG2-CB 4.43Å; V91-V107 HydrophobicContact CG1-CG2 3.86Å; V91-L116 VanDerWaalsContact CA-O 3.28Å; V91-L116 WeakPolarHBondContact CA-O 3.48Å; V91-A121 HydrophobicContact CG1-CB 4.23Å; V91-P200 WeakPolarHBondContact O-CB 3.5Å
92S98.8Very high98.6Very high7 Ų731.1 Ų31.15%0.04917%0.167CC..EExtended strand (participates in β ladder)trans-135.3149.3177.653.30000112.4D77 V94 L116 T117 A118D77-S92 VanDerWaalsContact OD1-CA 3.23Å; D77-S92 WeakPolarHBondContact OD1-CA 3.15Å; S92-V94 PolarHBondContact O-N 2.92Å; S92-V94 VanDerWaalsContact O-N 3.13Å; S92-L116 PolarHBondContact N-O 3.09Å; S92-L116 VanDerWaalsContact N-O 3.12Å; S92-T117 WeakPolarHBondContact O-CA 3.5Å; S92-T117 PolarHBondContact O-OG1 3.17Å; S92-T117 WeakPolarHBondContact OG-CB 3.29Å; S92-T117 PolarHBondContact OG-OG1 3.25Å; S92-A118 PolarHBondContact O-N 3.1Å
93A98.5Very high98.6Very high7 Ų729.9 Ų29.96%0.05816%0.161CC..EExtended strand (participates in β ladder)trans5033.6-178.300000113.6M76 D77 A118M76-A93 PolarHBondContact O-N 2.87Å; M76-A93 VanDerWaalsContact O-N 3.09Å; D77-A93 PolarHBondContact OD1-N 2.8Å; A93-A118 HydrophobicContact CB-CB 4.43Å
94V98.6Very high98.6Very high0 Ų029.8 Ų29.80%016%0.16CC..EExtended strand (participates in β ladder)trans-77.1147.9177.2-650000110.7E75 M76 V91 S92 P100 L103 A121E75-V94 WeakPolarHBondContact CA-O 3.31Å; M76-V94 HydrophobicContact CB-CG2 4.15Å; M76-V94 PolarHBondContact N-O 3.04Å; M76-V94 WeakPolarHBondContact O-CG2 3.48Å; M76-V94 PolarHBondContact O-N 3.02Å; V91-V94 HydrophobicContact CB-CG1 3.77Å; V91-V94 HydrophobicContact CG1-CG1 4.45Å; V91-V94 HydrophobicContact CG2-CG1 4.1Å; V91-V94 HydrophobicContact CG2-CG2 4.03Å; S92-V94 PolarHBondContact O-N 2.92Å; S92-V94 VanDerWaalsContact O-N 3.13Å; V94-P100 HydrophobicContact CG2-CB 4.15Å; V94-P100 HydrophobicContact CG2-CG 4.19Å; V94-L103 HydrophobicContact CG1-CD2 4.11Å; V94-A121 HydrophobicContact CG1-CB 3.52Å
95R98.3Very high98.6Very high57 Ų5725.7 Ų25.722%0.21514%0.14CC..  trans-132158.5-175.4-63.5-168.5-172.7-171-0.7109.3E73 E75 I97 E193E73-R95 IonicContact OE1-NH1 3.95Å; E73-R95 IonicContact OE2-CZ 2.84Å; E73-R95 IonicContact OE2-NH1 3.73Å; E73-R95 PolarHBondContact OE2-NH1 2.87Å; E73-R95 IonicContact OE2-NH2 3.51Å; E75-R95 VanDerWaalsContact CD-NH2 3.32Å; E75-R95 HydrophobicContact CG-CG 4.06Å; E75-R95 IonicContact OE1-CZ 2.84Å; E75-R95 IonicContact OE1-NE 2.89Å; E75-R95 PolarHBondContact OE1-NE 2.9Å; E75-R95 IonicContact OE1-NH2 2.76Å; E75-R95 PolarHBondContact OE1-NH2 3.16Å; R95-I97 PolarHBondContact O-N 3.38Å; R95-E193 IonicContact CZ-OE1 3.89Å; R95-E193 IonicContact NH1-OE1 3.93Å; R95-E193 VanDerWaalsContact NH2-CG 3.27Å; R95-E193 IonicContact NH2-OE1 3.43Å; R95-E193 PolarHBondContact NH2-OE1 3.43Å
96N97.9Very high98.7Very high38 Ų3823.8 Ų23.820%0.20313%0.127CC..SBendtrans59.129.8170.2-62.479.3000114.7E132 V133 Q135N96-E132 HydrophobicContact CB-CG 3.65Å; N96-E132 CarbonylContact O-C 3.57Å; N96-E132 WeakPolarHBondContact O-CA 3.35Å; N96-V133 VanDerWaalsContact CA-O 3.29Å; N96-V133 WeakPolarHBondContact CA-O 3.32Å; N96-V133 VanDerWaalsContact CB-O 3.26Å; N96-V133 WeakPolarHBondContact CB-O 3.29Å; N96-V133 PolarHBondContact ND2-O 3.13Å; N96-V133 PolarHBondContact O-N 3.11Å; N96-Q135 PolarHBondContact ND2-N 3.47Å; N96-Q135 PolarHBondContact OD1-NE2 3.43Å
97I97.9Very high98.7Very high7 Ų720.2 Ų20.24%0.03611%0.108CC..  trans-130.9133.3177.5-65.1172.3000107.8M76 R95 L103 A125 V130M76-I97 WeakPolarHBondContact CE-O 3.25Å; R95-I97 PolarHBondContact O-N 3.38Å; I97-L103 HydrophobicContact CD1-CD2 3.69Å; I97-A125 HydrophobicContact CD1-CB 3.44Å; I97-A125 VanDerWaalsContact CD1-CB 3.44Å; I97-V130 HydrophobicContact CG1-CG1 4.44Å; I97-V130 HydrophobicContact CG2-CG1 3.86Å
98A98.4Very high98.7Very high30 Ų3018.9 Ų18.925%0.24810%0.096CC..SBendtrans-66.9-43.1-178.800000112.3G63 P100 V133G63-A98 WeakPolarHBondContact CA-O 3.09Å; A98-P100 WeakPolarHBondContact O-CD 3.23Å; A98-V133 HydrophobicContact CB-CG1 4.33Å
99N98.8Very high98.7Very high20 Ų2021.6 Ų21.611%0.10711%0.109CC..  trans-125.884.5-170.2-59.9107.9000113.5M52 E55 N56 V101 Q102 L103M52-N99 HydrophobicContact CG-CB 4.43Å; M52-N99 WeakPolarHBondContact CG-ND2 3.38Å; E55-N99 WeakPolarHBondContact OE2-CA 3.3Å; E55-N99 VanDerWaalsContact OE2-CB 3.25Å; E55-N99 WeakPolarHBondContact OE2-CB 3.23Å; E55-N99 PolarHBondContact OE2-ND2 2.88Å; N56-N99 PolarHBondContact OD1-ND2 2.94Å; N99-V101 PolarHBondContact O-N 3.03Å; N99-Q102 HydrophobicContact CB-CB 4.22Å; N99-Q102 HydrophobicContact CB-CG 4.02Å; N99-Q102 PolarHBondContact O-N 2.87Å; N99-L103 PolarHBondContact O-N 3.08Å
100P98.8Very high98.7Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-51.9-36.4173.5-29.134.9000114.5E55 M76 A78 V91 V94 A98 Q102 L103 A104E55-P100 VanDerWaalsContact OE1-CD 3.31Å; E55-P100 WeakPolarHBondContact OE1-CD 3.36Å; M76-P100 HydrophobicContact CB-CB 4.31Å; M76-P100 HydrophobicContact CB-CG 3.55Å; M76-P100 HydrophobicContact CE-CG 3.8Å; M76-P100 HydrophobicContact CG-CG 4.14Å; M76-P100 HydrophobicContact SD-CG 3.61Å; A78-P100 HydrophobicContact CB-CB 3.64Å; V91-P100 HydrophobicContact CG2-CB 4.36Å; V94-P100 HydrophobicContact CG2-CB 4.15Å; V94-P100 HydrophobicContact CG2-CG 4.19Å; A98-P100 WeakPolarHBondContact O-CD 3.23Å; P100-Q102 VanDerWaalsContact C-N 3.31Å; P100-Q102 PolarHBondContact O-N 3.36Å; P100-L103 PolarHBondContact O-N 2.91Å; P100-A104 PolarHBondContact O-N 3.28Å
101V98.9Very high98.6Very high0 Ų029.8 Ų29.80%015%0.148CC..Hα-helixtrans-63.5-36179.775.30000112.8V48 A51 M52 E55 V80 N99 A104 R105 A182V48-V101 HydrophobicContact CG1-CG1 4.49Å; A51-V101 HydrophobicContact CB-CB 4.13Å; A51-V101 HydrophobicContact CB-CG1 4.01Å; A51-V101 HydrophobicContact CB-CG2 3.82Å; M52-V101 HydrophobicContact CB-CG1 4.2Å; E55-V101 WeakPolarHBondContact OE1-CB 3.34Å; E55-V101 PolarHBondContact OE1-N 2.74Å; E55-V101 VanDerWaalsContact OE2-CG1 3.3Å; E55-V101 WeakPolarHBondContact OE2-CG1 3.35Å; V80-V101 HydrophobicContact CG1-CG2 3.61Å; N99-V101 PolarHBondContact O-N 3.03Å; V101-A104 WeakPolarHBondContact O-CB 3.26Å; V101-A104 PolarHBondContact O-N 3.26Å; V101-R105 PolarHBondContact O-N 3.02Å; V101-A182 HydrophobicContact CG2-CB 3.91Å
102Q98.8Very high98.6Very high86 Ų8635.3 Ų35.340%0.40219%0.187SC..Hα-helixtrans-70-36.7175.9-68.7-172.9-43.900111.2V48 M52 N99 P100 R105 L106V48-Q102 HydrophobicContact CG1-CG 4.35Å; M52-Q102 HydrophobicContact SD-CG 4.39Å; M52-Q102 PolarHBondContact SD-NE2 2.82Å; N99-Q102 HydrophobicContact CB-CB 4.22Å; N99-Q102 HydrophobicContact CB-CG 4.02Å; N99-Q102 PolarHBondContact O-N 2.87Å; P100-Q102 VanDerWaalsContact C-N 3.31Å; P100-Q102 PolarHBondContact O-N 3.36Å; Q102-R105 WeakPolarHBondContact O-CB 3.44Å; Q102-R105 PolarHBondContact O-N 3.44Å; Q102-L106 WeakPolarHBondContact O-CG 3.33Å; Q102-L106 PolarHBondContact O-N 3.46Å
103L98.9Very high98.6Very high1 Ų140.3 Ų40.31%0.00521%0.209CC..Hα-helixtrans-65.6-40.8173-175.764.4000111.4V91 V94 I97 N99 P100 R105 L106 V107 A121 F124 A125 V130V91-L103 HydrophobicContact CB-CD2 4.39Å; V91-L103 HydrophobicContact CG1-CB 4.49Å; V91-L103 HydrophobicContact CG1-CD2 3.78Å; V91-L103 HydrophobicContact CG1-CG 3.8Å; V91-L103 HydrophobicContact CG2-CD2 4.38Å; V94-L103 HydrophobicContact CG1-CD2 4.11Å; I97-L103 HydrophobicContact CD1-CD2 3.69Å; N99-L103 PolarHBondContact O-N 3.08Å; P100-L103 PolarHBondContact O-N 2.91Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.28Å; L103-L106 HydrophobicContact CD1-CD1 4.4Å; L103-L106 WeakPolarHBondContact O-CB 3.43Å; L103-L106 PolarHBondContact O-N 3.22Å; L103-L106 VanDerWaalsContact O-N 3.13Å; L103-V107 WeakPolarHBondContact O-CG2 3.45Å; L103-V107 PolarHBondContact O-N 3.01Å; L103-A121 HydrophobicContact CD2-CB 4.49Å; L103-F124 HydrophobicContact CD1-CD1 3.86Å; L103-F124 HydrophobicContact CD1-CE1 4.13Å; L103-A125 HydrophobicContact CD1-CB 3.67Å; L103-A125 HydrophobicContact CD2-CB 4.01Å; L103-V130 HydrophobicContact CD1-CG2 4.36Å
104A98.9Very high98.6Very high0 Ų042 Ų420%022%0.223CC..Hα-helixtrans-58.5-41.9173.300000111.4A78 V80 G89 V91 P100 V101 L106 V107 M108A78-A104 HydrophobicContact CB-CB 4.23Å; V80-A104 HydrophobicContact CG1-CB 4.45Å; V80-A104 HydrophobicContact CG2-CB 4.45Å; G89-A104 CarbonylContact C-O 3.58Å; G89-A104 WeakPolarHBondContact CA-O 3.44Å; V91-A104 HydrophobicContact CG2-CB 4.43Å; P100-A104 PolarHBondContact O-N 3.28Å; V101-A104 WeakPolarHBondContact O-CB 3.26Å; V101-A104 PolarHBondContact O-N 3.26Å; A104-L106 PolarHBondContact O-N 2.85Å; A104-V107 WeakPolarHBondContact O-CB 3.13Å; A104-V107 PolarHBondContact O-N 2.9Å; A104-M108 PolarHBondContact O-N 2.79Å; A104-M108 VanDerWaalsContact O-N 3.14Å
105R98.8Very high98.6Very high55 Ų5545 Ų4521%0.20824%0.243CC..Hα-helixtrans-61.1-42.2172.4-179.961.3-175.4-82.84.4112.7M44 D45 V48 V80 V101 Q102 L103 V107 M108 D109M44-R105 VanDerWaalsContact CG-CZ 3.47Å; D45-R105 IonicContact OD1-CZ 3.35Å; D45-R105 IonicContact OD1-NH1 3.51Å; D45-R105 PolarHBondContact OD1-NH1 3.46Å; D45-R105 IonicContact OD1-NH2 3.56Å; V48-R105 HydrophobicContact CG2-CB 4.45Å; V80-R105 HydrophobicContact CG2-CB 4.33Å; V101-R105 PolarHBondContact O-N 3.02Å; Q102-R105 WeakPolarHBondContact O-CB 3.44Å; Q102-R105 PolarHBondContact O-N 3.44Å; L103-R105 VanDerWaalsContact C-N 3.29Å; L103-R105 PolarHBondContact O-N 3.28Å; R105-V107 VanDerWaalsContact C-N 3.33Å; R105-V107 PolarHBondContact O-N 3.38Å; R105-M108 WeakPolarHBondContact O-CB 3.31Å; R105-M108 PolarHBondContact O-N 2.87Å; R105-D109 IonicContact CZ-OD2 2.75Å; R105-D109 IonicContact NE-OD1 3.51Å; R105-D109 PolarHBondContact NE-OD1 2.89Å; R105-D109 IonicContact NE-OD2 3.68Å; R105-D109 PolarHBondContact NE-OD2 2.97Å; R105-D109 IonicContact NH2-OD2 3.14Å; R105-D109 WeakPolarHBondContact O-CB 3.48Å; R105-D109 PolarHBondContact O-N 2.94Å
106L98.9Very high98.6Very high43 Ų4343.9 Ų43.923%0.22524%0.241CC..Hα-helixtrans-63.1-37.9174.9-72.1170.5000112.5Q102 L103 A104 M108 D109 K110 F124 M128 V130Q102-L106 WeakPolarHBondContact O-CG 3.33Å; Q102-L106 PolarHBondContact O-N 3.46Å; L103-L106 HydrophobicContact CD1-CD1 4.4Å; L103-L106 WeakPolarHBondContact O-CB 3.43Å; L103-L106 PolarHBondContact O-N 3.22Å; L103-L106 VanDerWaalsContact O-N 3.13Å; A104-L106 PolarHBondContact O-N 2.85Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-M108 PolarHBondContact O-N 2.98Å; L106-D109 PolarHBondContact O-N 3.43Å; L106-K110 HydrophobicContact CD2-CG 4.16Å; L106-K110 VanDerWaalsContact O-CB 3.25Å; L106-K110 WeakPolarHBondContact O-CB 3.22Å; L106-K110 PolarHBondContact O-N 3.25Å; L106-F124 HydrophobicContact CB-CE1 3.98Å; L106-F124 HydrophobicContact CB-CZ 4.29Å; L106-M128 HydrophobicContact CD1-CB 4Å; L106-M128 HydrophobicContact CD1-CG 4.4Å; L106-V130 HydrophobicContact CD1-CG2 3.58Å
107V98.9Very high98.6Very high0 Ų045.7 Ų45.70%025%0.254CS..Hα-helixtrans-58.8-47.5174.4171.60000110.2V91 L103 A104 R105 T111 H113 L116 F124V91-V107 HydrophobicContact CG1-CG2 3.86Å; L103-V107 WeakPolarHBondContact O-CG2 3.45Å; L103-V107 PolarHBondContact O-N 3.01Å; A104-V107 WeakPolarHBondContact O-CB 3.13Å; A104-V107 PolarHBondContact O-N 2.9Å; R105-V107 VanDerWaalsContact C-N 3.33Å; R105-V107 PolarHBondContact O-N 3.38Å; V107-T111 WeakPolarHBondContact O-CB 3.48Å; V107-T111 PolarHBondContact O-N 2.76Å; V107-T111 PolarHBondContact O-OG1 2.78Å; V107-H113 WeakPolarHBondContact CG1-O 3.01Å; V107-L116 HydrophobicContact CG1-CG 4.32Å; V107-L116 HydrophobicContact CG2-CB 4.4Å; V107-L116 HydrophobicContact CG2-CD1 3.82Å; V107-L116 HydrophobicContact CG2-CG 4.01Å; V107-F124 HydrophobicContact CB-CE1 4.49Å; V107-F124 HydrophobicContact CG2-CD1 3.98Å; V107-F124 HydrophobicContact CG2-CE1 3.72Å
108M98.8Very high98.6Very high27 Ų2747.3 Ų47.313%0.13327%0.268CS..Hα-helixtrans-60.3-47.4177.5-169.5179.97700112.2M44 V80 S87 A104 R105 L106M44-M108 HydrophobicContact CE-CE 3.83Å; M44-M108 HydrophobicContact CE-SD 3.97Å; M44-M108 HydrophobicContact CG-CE 4.49Å; M44-M108 HydrophobicContact SD-CE 4.34Å; V80-M108 HydrophobicContact CG2-CB 4.42Å; V80-M108 HydrophobicContact CG2-SD 4.18Å; S87-M108 VanDerWaalsContact C-SD 3.56Å; S87-M108 VanDerWaalsContact O-SD 3.4Å; A104-M108 PolarHBondContact O-N 2.79Å; A104-M108 VanDerWaalsContact O-N 3.14Å; R105-M108 WeakPolarHBondContact O-CB 3.31Å; R105-M108 PolarHBondContact O-N 2.87Å; L106-M108 VanDerWaalsContact C-N 3.33Å; L106-M108 PolarHBondContact O-N 2.98Å
109D98.6Very high98.6Very high76 Ų7650.6 Ų50.641%0.40628%0.278SS..Hα-helixtrans-83.6-26.9-169.4-70.7-8.6000113.8R105 L106R105-D109 IonicContact CZ-OD2 2.75Å; R105-D109 IonicContact NE-OD1 3.51Å; R105-D109 PolarHBondContact NE-OD1 2.89Å; R105-D109 IonicContact NE-OD2 3.68Å; R105-D109 PolarHBondContact NE-OD2 2.97Å; R105-D109 IonicContact NH2-OD2 3.14Å; R105-D109 WeakPolarHBondContact O-CB 3.48Å; R105-D109 PolarHBondContact O-N 2.94Å; L106-D109 PolarHBondContact O-N 3.43Å
110K98.6Very high98.6Very high135 Ų13551.6 Ų51.659%0.58729%0.293SS*.Hα-helixtrans-118.21.6-167.3-53.3-61179.6-170.30114.1L106 F124 M128L106-K110 HydrophobicContact CD2-CG 4.16Å; L106-K110 VanDerWaalsContact O-CB 3.25Å; L106-K110 WeakPolarHBondContact O-CB 3.22Å; L106-K110 PolarHBondContact O-N 3.25Å; K110-F124 HydrophobicContact CB-CZ 4.16Å; K110-M128 HydrophobicContact CB-SD 4.1Å; K110-M128 HydrophobicContact CG-SD 4.11Å
111T98.6Very high98.5Very high37 Ų3751.6 Ų51.623%0.22729%0.293CS..  trans-134.5165.5179.284.10000111.2V107 H113 F124V107-T111 WeakPolarHBondContact O-CB 3.48Å; V107-T111 PolarHBondContact O-N 2.76Å; V107-T111 PolarHBondContact O-OG1 2.78Å; T111-H113 PolarHBondContact OG1-N 3.49Å; T111-H113 PolarHBondContact OG1-O 2.89Å; T111-H113 VanDerWaalsContact OG1-O 3.13Å; T111-F124 HydrophobicContact CG2-CD2 4.27Å; T111-F124 HydrophobicContact CG2-CE1 4.29Å; T111-F124 HydrophobicContact CG2-CE2 3.49Å; T111-F124 VanDerWaalsContact CG2-CE2 3.49Å; T111-F124 HydrophobicContact CG2-CZ 3.51Å
112S97.8Very high98.3Very high116 Ų11652.3 Ų52.381%0.81130%0.298SS*.SBendtrans-91.818.6168.3620000112.3
113H98.5Very high98.3Very high111 Ų11153.3 Ų53.351%0.51430%0.303SS..  trans-117.8148-174.1-55.3-50.6000110.3V107 T111V107-H113 WeakPolarHBondContact CG1-O 3.01Å; T111-H113 PolarHBondContact OG1-N 3.49Å; T111-H113 PolarHBondContact OG1-O 2.89Å; T111-H113 VanDerWaalsContact OG1-O 3.13Å
114A98.1Very high98.3Very high42 Ų4254.5 Ų54.535%0.34731%0.308SS..SBendtrans-90.8-23.5178.600000113.2G89 A90 I202G89-A114 CarbonylContact C-O 3.56Å; G89-A114 WeakPolarHBondContact CA-O 3.45Å; A90-A114 PolarHBondContact N-O 3.29Å; A114-I202 HydrophobicContact CB-CD1 4.15Å
115C98.8Very high98.3Very high63 Ų6354.7 Ų54.743%0.42631%0.309SS..EExtended strand (participates in β ladder)trans-149.7132.5-174.3-171.80000112.2A90A90-C115 HydrophobicContact CB-CB 4.07Å; A90-C115 VanDerWaalsContact O-CA 3.32Å; A90-C115 WeakPolarHBondContact O-CA 3.26Å
116L98.9Very high98.2Very high34 Ų3457.6 Ų57.618%0.17832%0.32CS..EExtended strand (participates in β ladder)trans-117.3157.7169-60.2-177.7000110A90 V91 S92 V107 A121 F124A90-L116 PolarHBondContact O-N 3Å; V91-L116 VanDerWaalsContact CA-O 3.28Å; V91-L116 WeakPolarHBondContact CA-O 3.48Å; S92-L116 PolarHBondContact N-O 3.09Å; S92-L116 VanDerWaalsContact N-O 3.12Å; V107-L116 HydrophobicContact CG1-CG 4.32Å; V107-L116 HydrophobicContact CG2-CB 4.4Å; V107-L116 HydrophobicContact CG2-CD1 3.82Å; V107-L116 HydrophobicContact CG2-CG 4.01Å; L116-A121 HydrophobicContact CB-CB 3.82Å; L116-F124 HydrophobicContact CD1-CB 3.69Å; L116-F124 HydrophobicContact CD1-CD1 3.61Å; L116-F124 HydrophobicContact CD1-CD2 4.35Å; L116-F124 HydrophobicContact CD1-CE1 4.35Å; L116-F124 HydrophobicContact CD1-CG 3.61Å
117T98.8Very high98.2Very high76 Ų7659.4 Ų59.447%0.46634%0.337SS..EExtended strand (participates in β ladder)trans-140149.5-176.8-167.80000112.6S92 E119 G120 A121S92-T117 WeakPolarHBondContact O-CA 3.5Å; S92-T117 PolarHBondContact O-OG1 3.17Å; S92-T117 WeakPolarHBondContact OG-CB 3.29Å; S92-T117 PolarHBondContact OG-OG1 3.25Å; T117-E119 PolarHBondContact O-N 3.12Å; T117-G120 PolarHBondContact O-N 3.03Å; T117-G120 VanDerWaalsContact O-N 3.1Å; T117-A121 PolarHBondContact O-N 3.18Å
118A97.8Very high98.2Very high41 Ų4163.1 Ų63.134%0.33936%0.355SS..Hα-helixtrans44.3-126.917100000112.5S92 A93 G120 A121 S122S92-A118 PolarHBondContact O-N 3.1Å; A93-A118 HydrophobicContact CB-CB 4.43Å; A118-G120 VanDerWaalsContact C-N 3.26Å; A118-G120 PolarHBondContact O-N 2.8Å; A118-A121 WeakPolarHBondContact O-CB 3.22Å; A118-A121 PolarHBondContact O-N 2.93Å; A118-A121 VanDerWaalsContact O-N 3.09Å; A118-S122 PolarHBondContact O-N 2.91Å; A118-S122 PolarHBondContact O-OG 3.26Å
119E97.1Very high98.2Very high100 Ų10064.8 Ų64.847%0.46738%0.379SS..Hα-helixtrans-61.4-32.4-175.7-176.852.6-149.600113.3T117 S122 Q123 R126T117-E119 PolarHBondContact O-N 3.12Å; E119-S122 PolarHBondContact O-N 2.89Å; E119-Q123 VanDerWaalsContact O-CG 3.32Å; E119-Q123 WeakPolarHBondContact O-CG 3.32Å; E119-Q123 PolarHBondContact O-N 3.14Å; E119-Q123 WeakPolarHBondContact OE1-CG 3.42Å; E119-Q123 PolarHBondContact OE1-NE2 2.84Å; E119-R126 IonicContact OE1-CZ 2.83Å; E119-R126 IonicContact OE1-NH2 3.63Å; E119-R126 PolarHBondContact OE1-NH2 3.39Å
120G98.6Very high98.2Very high40 Ų4062.7 Ų62.741%0.41237%0.369SS..Hα-helixtrans-64.7-41175.500000112.2T117 A118 Q123 F124T117-G120 PolarHBondContact O-N 3.03Å; T117-G120 VanDerWaalsContact O-N 3.1Å; A118-G120 VanDerWaalsContact C-N 3.26Å; A118-G120 PolarHBondContact O-N 2.8Å; G120-Q123 PolarHBondContact O-N 3.1Å; G120-F124 PolarHBondContact O-N 3.39Å; G120-F124 VanDerWaalsContact O-N 3.09Å
121A98.6Very high98.1Very high0 Ų061 Ų610%037%0.372CS..Hα-helixtrans-67.4-38.4173.800000111.8V91 V94 L103 L116 T117 A118 F124 A125V91-A121 HydrophobicContact CG1-CB 4.23Å; V94-A121 HydrophobicContact CG1-CB 3.52Å; L103-A121 HydrophobicContact CD2-CB 4.49Å; L116-A121 HydrophobicContact CB-CB 3.82Å; T117-A121 PolarHBondContact O-N 3.18Å; A118-A121 WeakPolarHBondContact O-CB 3.22Å; A118-A121 PolarHBondContact O-N 2.93Å; A118-A121 VanDerWaalsContact O-N 3.09Å; A121-F124 PolarHBondContact O-N 3.47Å; A121-A125 WeakPolarHBondContact O-CB 3.39Å; A121-A125 PolarHBondContact O-N 3.28Å
122S94.7Very high98.1Very high15 Ų1565 Ų6511%0.10539%0.388CS..Hα-helixtrans-63.5-41.7175.1-58.80000112.6A118 E119 F124 A125 R126A118-S122 PolarHBondContact O-N 2.91Å; A118-S122 PolarHBondContact O-OG 3.26Å; E119-S122 PolarHBondContact O-N 2.89Å; S122-F124 VanDerWaalsContact C-N 3.34Å; S122-A125 PolarHBondContact O-N 3.32Å; S122-R126 WeakPolarHBondContact O-CG 3.42Å; S122-R126 PolarHBondContact O-N 3.32Å
123Q98.1Very high98.1Very high108 Ų10861 Ų6151%0.50536%0.358SS..Hα-helixtrans-62.6-42.8174.7-74.1174.118.200111.8E119 G120 R126 S127E119-Q123 VanDerWaalsContact O-CG 3.32Å; E119-Q123 WeakPolarHBondContact O-CG 3.32Å; E119-Q123 PolarHBondContact O-N 3.14Å; E119-Q123 WeakPolarHBondContact OE1-CG 3.42Å; E119-Q123 PolarHBondContact OE1-NE2 2.84Å; G120-Q123 PolarHBondContact O-N 3.1Å; Q123-R126 PolarHBondContact O-N 2.84Å; Q123-S127 PolarHBondContact O-N 3.01Å
124F98.8Very high98Very high26 Ų2659.8 Ų59.811%0.11436%0.36CS..Hα-helixtrans-64.4-42.4175.4177-110.1000112.2L103 L106 V107 K110 T111 L116 G120 A121 S122 R126 S127 M128L103-F124 HydrophobicContact CD1-CD1 3.86Å; L103-F124 HydrophobicContact CD1-CE1 4.13Å; L106-F124 HydrophobicContact CB-CE1 3.98Å; L106-F124 HydrophobicContact CB-CZ 4.29Å; V107-F124 HydrophobicContact CB-CE1 4.49Å; V107-F124 HydrophobicContact CG2-CD1 3.98Å; V107-F124 HydrophobicContact CG2-CE1 3.72Å; K110-F124 HydrophobicContact CB-CZ 4.16Å; T111-F124 HydrophobicContact CG2-CD2 4.27Å; T111-F124 HydrophobicContact CG2-CE1 4.29Å; T111-F124 HydrophobicContact CG2-CE2 3.49Å; T111-F124 VanDerWaalsContact CG2-CE2 3.49Å; T111-F124 HydrophobicContact CG2-CZ 3.51Å; L116-F124 HydrophobicContact CD1-CB 3.69Å; L116-F124 HydrophobicContact CD1-CD1 3.61Å; L116-F124 HydrophobicContact CD1-CD2 4.35Å; L116-F124 HydrophobicContact CD1-CE1 4.35Å; L116-F124 HydrophobicContact CD1-CG 3.61Å; G120-F124 PolarHBondContact O-N 3.39Å; G120-F124 VanDerWaalsContact O-N 3.09Å; A121-F124 PolarHBondContact O-N 3.47Å; S122-F124 VanDerWaalsContact C-N 3.34Å; F124-R126 VanDerWaalsContact C-N 3.33Å; F124-R126 PolarHBondContact O-N 3.24Å; F124-S127 PolarHBondContact O-N 2.84Å; F124-S127 VanDerWaalsContact O-N 3.16Å; F124-S127 PolarHBondContact O-OG 2.94Å; F124-M128 HydrophobicContact CD1-CG 4.46Å; F124-M128 HydrophobicContact CD2-CG 4.12Å; F124-M128 HydrophobicContact CE1-CG 4.01Å; F124-M128 HydrophobicContact CE2-CE 4.17Å; F124-M128 HydrophobicContact CE2-CG 3.63Å; F124-M128 HydrophobicContact CE2-SD 3.9Å; F124-M128 HydrophobicContact CZ-CG 3.57Å; F124-M128 HydrophobicContact CZ-SD 4.02Å; F124-M128 WeakPolarHBondContact O-CG 3.49Å; F124-M128 PolarHBondContact O-N 3.41Å
125A98.5Very high97.9Very high3 Ų359.5 Ų59.53%0.02535%0.352CS..Hα-helixtrans-57.1-46.9175.200000111.4I97 L103 A121 S122 S127 M128 G129 V130I97-A125 HydrophobicContact CD1-CB 3.44Å; I97-A125 VanDerWaalsContact CD1-CB 3.44Å; L103-A125 HydrophobicContact CD1-CB 3.67Å; L103-A125 HydrophobicContact CD2-CB 4.01Å; A121-A125 WeakPolarHBondContact O-CB 3.39Å; A121-A125 PolarHBondContact O-N 3.28Å; S122-A125 PolarHBondContact O-N 3.32Å; A125-S127 PolarHBondContact O-N 2.88Å; A125-M128 PolarHBondContact O-N 2.85Å; A125-G129 PolarHBondContact O-N 2.84Å; A125-V130 HydrophobicContact CB-CB 4.03Å; A125-V130 HydrophobicContact CB-CG1 4.48Å; A125-V130 HydrophobicContact CB-CG2 4.32Å; A125-V130 WeakPolarHBondContact O-CB 3.28Å; A125-V130 PolarHBondContact O-N 3.24Å
126R98Very high97.9Very high116 Ų11662 Ų6244%0.43836%0.357SS..Hα-helixtrans-61.4-41.6175.6-71.3-173.7-65.3-98.73.9112.4E119 S122 Q123 F124 M128 G129E119-R126 IonicContact OE1-CZ 2.83Å; E119-R126 IonicContact OE1-NH2 3.63Å; E119-R126 PolarHBondContact OE1-NH2 3.39Å; S122-R126 WeakPolarHBondContact O-CG 3.42Å; S122-R126 PolarHBondContact O-N 3.32Å; Q123-R126 PolarHBondContact O-N 2.84Å; F124-R126 VanDerWaalsContact C-N 3.33Å; F124-R126 PolarHBondContact O-N 3.24Å; R126-M128 VanDerWaalsContact C-N 3.27Å; R126-M128 PolarHBondContact O-N 3.02Å; R126-G129 PolarHBondContact O-N 2.91Å; R126-G129 VanDerWaalsContact O-N 3.12Å
127S98.3Very high97.8Very high81 Ų8163.5 Ų63.557%0.56637%0.37SS*.Hα-helixtrans-68.8-26.5179.175.50000113.1Q123 F124 A125 G129Q123-S127 PolarHBondContact O-N 3.01Å; F124-S127 PolarHBondContact O-N 2.84Å; F124-S127 VanDerWaalsContact O-N 3.16Å; F124-S127 PolarHBondContact O-OG 2.94Å; A125-S127 PolarHBondContact O-N 2.88Å; S127-G129 VanDerWaalsContact C-N 3.33Å
128M98.5Very high97.8Very high79 Ų7960 Ų6039%0.38935%0.349SS..THydrogen-bonded Turntrans-85.5-0.9173.1-63.9-62.195.300113.7L106 K110 F124 A125 R126 V130L106-M128 HydrophobicContact CD1-CB 4Å; L106-M128 HydrophobicContact CD1-CG 4.4Å; K110-M128 HydrophobicContact CB-SD 4.1Å; K110-M128 HydrophobicContact CG-SD 4.11Å; F124-M128 HydrophobicContact CD1-CG 4.46Å; F124-M128 HydrophobicContact CD2-CG 4.12Å; F124-M128 HydrophobicContact CE1-CG 4.01Å; F124-M128 HydrophobicContact CE2-CE 4.17Å; F124-M128 HydrophobicContact CE2-CG 3.63Å; F124-M128 HydrophobicContact CE2-SD 3.9Å; F124-M128 HydrophobicContact CZ-CG 3.57Å; F124-M128 HydrophobicContact CZ-SD 4.02Å; F124-M128 WeakPolarHBondContact O-CG 3.49Å; F124-M128 PolarHBondContact O-N 3.41Å; A125-M128 PolarHBondContact O-N 2.85Å; R126-M128 VanDerWaalsContact C-N 3.27Å; R126-M128 PolarHBondContact O-N 3.02Å; M128-V130 VanDerWaalsContact C-N 3.35Å; M128-V130 HydrophobicContact CB-CG2 4.35Å
129G98.1Very high97.8Very high61 Ų6159.1 Ų59.163%0.62934%0.338SS*.THydrogen-bonded Turntrans74.621-179.600000114.4A125 R126 S127 P131A125-G129 PolarHBondContact O-N 2.84Å; R126-G129 PolarHBondContact O-N 2.91Å; R126-G129 VanDerWaalsContact O-N 3.12Å; S127-G129 VanDerWaalsContact C-N 3.33Å; G129-P131 WeakPolarHBondContact O-CD 3.32Å
130V98.3Very high97.8Very high32 Ų3255.5 Ų55.519%0.19432%0.323CS..PPolyproline II helixtrans-67126.2173.4179.30000108.9I97 L103 L106 A125 M128 E132I97-V130 HydrophobicContact CG1-CG1 4.44Å; I97-V130 HydrophobicContact CG2-CG1 3.86Å; L103-V130 HydrophobicContact CD1-CG2 4.36Å; L106-V130 HydrophobicContact CD1-CG2 3.58Å; A125-V130 HydrophobicContact CB-CB 4.03Å; A125-V130 HydrophobicContact CB-CG1 4.48Å; A125-V130 HydrophobicContact CB-CG2 4.32Å; A125-V130 WeakPolarHBondContact O-CB 3.28Å; A125-V130 PolarHBondContact O-N 3.24Å; M128-V130 VanDerWaalsContact C-N 3.35Å; M128-V130 HydrophobicContact CB-CG2 4.35Å; V130-E132 PolarHBondContact O-N 2.88Å
131P97.5Very high97.7Very high101 Ų10159.9 Ų59.966%0.65633%0.332SS*.PPolyproline II helixtrans-62.3131.8179.7-23.834.2000112.2G129G129-P131 WeakPolarHBondContact O-CD 3.32Å
132E97.6Very high97.4Very high120 Ų12062.8 Ų62.856%0.56134%0.344SS*.PPolyproline II helixtrans-79.9131.1169.1-165.8175.1157.400109.6N96 V130N96-E132 HydrophobicContact CB-CG 3.65Å; N96-E132 CarbonylContact O-C 3.57Å; N96-E132 WeakPolarHBondContact O-CA 3.35Å; V130-E132 PolarHBondContact O-N 2.88Å
133V98.1Very high97.4Very high31 Ų3162.2 Ų62.219%0.18834%0.34CS..  trans-112.7147.1176.5-60.50000110.8N96 A98 L138N96-V133 VanDerWaalsContact CA-O 3.29Å; N96-V133 WeakPolarHBondContact CA-O 3.32Å; N96-V133 VanDerWaalsContact CB-O 3.26Å; N96-V133 WeakPolarHBondContact CB-O 3.29Å; N96-V133 PolarHBondContact ND2-O 3.13Å; N96-V133 PolarHBondContact O-N 3.11Å; A98-V133 HydrophobicContact CB-CG1 4.33Å; V133-L138 HydrophobicContact CG2-CD1 4.18Å; V133-L138 HydrophobicContact CG2-CD2 4.02Å; V133-L138 HydrophobicContact CG2-CG 4.11Å
134P97.8Very high97.2Very high86 Ų8659.6 Ų59.656%0.55833%0.325SS*.  trans-59.9141.1174.7-22.333.7000111.6E136 S137P134-E136 PolarHBondContact O-N 3.17Å; P134-S137 PolarHBondContact O-N 3.25Å; P134-S137 PolarHBondContact O-OG 2.91Å
135Q95.8Very high97Very high37 Ų3761.1 Ų61.117%0.17333%0.334CS..Hα-helixtrans-50.4-43.1173.9-86.3-72.3-29.400112.2V74 N96 S137 L138 I139V74-Q135 PolarHBondContact O-NE2 3.21Å; V74-Q135 VanDerWaalsContact O-NE2 3.11Å; N96-Q135 PolarHBondContact ND2-N 3.47Å; N96-Q135 PolarHBondContact OD1-NE2 3.43Å; Q135-S137 PolarHBondContact O-N 2.6Å; Q135-L138 WeakPolarHBondContact O-CB 3.43Å; Q135-L138 PolarHBondContact O-N 3.43Å; Q135-I139 WeakPolarHBondContact O-CG1 3.41Å; Q135-I139 PolarHBondContact O-N 2.88Å
136E97.5Very high96.6Very high116 Ų11663 Ų6354%0.54234%0.34SS..Hα-helixtrans-60.6-28.5-178.7-16859.9-152.600113.2P134 L138 I139 R144P134-E136 PolarHBondContact O-N 3.17Å; E136-L138 PolarHBondContact O-N 3.09Å; E136-I139 PolarHBondContact O-N 3.11Å; E136-R144 IonicContact OE1-CZ 3.42Å; E136-R144 IonicContact OE1-NH2 3.66Å; E136-R144 PolarHBondContact OE1-NH2 3.04Å; E136-R144 IonicContact OE2-CZ 3.7Å; E136-R144 IonicContact OE2-NH2 2.62Å; E136-R144 PolarHBondContact OE2-NH2 2.83Å
137S97.8Very high96.3Very high64 Ų6459.4 Ų59.445%0.44833%0.327SS..Hα-helixtrans-73.6-14.5177.469.50000113.5P134 Q135P134-S137 PolarHBondContact O-N 3.25Å; P134-S137 PolarHBondContact O-OG 2.91Å; Q135-S137 PolarHBondContact O-N 2.6Å
138L98.2Very high96Very high4 Ų461 Ų612%0.02132%0.323CS..Hα-helixtrans-92.1-15.6174.9-58.2173.8000112.1C64 G65 V74 M76 V133 Q135 E136C64-L138 HydrophobicContact CB-CD2 4.46Å; G65-L138 PolarHBondContact N-O 3.31Å; V74-L138 HydrophobicContact CB-CB 4.43Å; V74-L138 HydrophobicContact CB-CD1 4.5Å; V74-L138 HydrophobicContact CG1-CB 4.41Å; V74-L138 HydrophobicContact CG1-CD1 4.2Å; V74-L138 HydrophobicContact CG2-CB 4.15Å; M76-L138 HydrophobicContact CE-CD1 3.86Å; V133-L138 HydrophobicContact CG2-CD1 4.18Å; V133-L138 HydrophobicContact CG2-CD2 4.02Å; V133-L138 HydrophobicContact CG2-CG 4.11Å; Q135-L138 WeakPolarHBondContact O-CB 3.43Å; Q135-L138 PolarHBondContact O-N 3.43Å; E136-L138 PolarHBondContact O-N 3.09Å
139I98.3Very high95.4Very high22 Ų2264 Ų6411%0.11333%0.334CS..  trans-93.8120.8-174.8-59.1175.2000109.7L68 V74 Q135 E136 R144L68-I139 HydrophobicContact CD1-CG2 4.19Å; L68-I139 HydrophobicContact CD2-CD1 4.1Å; L68-I139 HydrophobicContact CD2-CG1 3.8Å; L68-I139 HydrophobicContact CD2-CG2 4.16Å; V74-I139 HydrophobicContact CG2-CG1 3.84Å; Q135-I139 WeakPolarHBondContact O-CG1 3.41Å; Q135-I139 PolarHBondContact O-N 2.88Å; E136-I139 PolarHBondContact O-N 3.11Å; I139-R144 HydrophobicContact CG2-CB 4.22Å
140T96.9Very high94.5Very high23 Ų2361.6 Ų61.614%0.14131%0.307CS..  trans-92160.417368.20000111.3P58 Y142 S143 R144P58-T140 HydrophobicContact CB-CG2 3.57Å; T140-Y142 PolarHBondContact O-N 2.84Å; T140-Y142 PolarHBondContact OG1-N 3.01Å; T140-S143 PolarHBondContact N-OG 2.86Å; T140-S143 PolarHBondContact O-N 2.82Å; T140-S143 PolarHBondContact O-OG 3.17Å; T140-S143 PolarHBondContact OG1-N 2.92Å; T140-S143 PolarHBondContact OG1-OG 3.18Å; T140-R144 WeakPolarHBondContact O-CB 3.22Å; T140-R144 PolarHBondContact O-N 2.92Å
141E96.1Very high93.8Very high132 Ų13265 Ų6562%0.61732%0.323SS*.Hα-helixtrans-59.8-32.8170.9-173.153.9-144.300111.3R144 M145E141-R144 PolarHBondContact O-N 2.85Å; E141-M145 WeakPolarHBondContact O-CB 3.32Å; E141-M145 PolarHBondContact O-N 3.2Å
142Y93.1Very high93.1Very high62 Ų6262 Ų6224%0.24331%0.307CS..Hα-helixtrans-67.2-45.8177.5-176-104.6000112.7R18 T140 M145 R146R18-Y142 VanDerWaalsContact CD-CZ 3.47Å; R18-Y142 VanDerWaalsContact CZ-CD1 3.48Å; R18-Y142 VanDerWaalsContact NH1-CG 3.27Å; T140-Y142 PolarHBondContact O-N 2.84Å; T140-Y142 PolarHBondContact OG1-N 3.01Å; Y142-M145 HydrophobicContact CD2-CE 3.54Å; Y142-M145 HydrophobicContact CE2-CE 3.6Å; Y142-M145 HydrophobicContact CG-CE 4.45Å; Y142-M145 PolarHBondContact O-N 3.45Å; Y142-R146 VanDerWaalsContact CE1-CD 3.46Å; Y142-R146 HydrophobicContact CE1-CG 4.26Å; Y142-R146 WeakPolarHBondContact O-CG 3.26Å; Y142-R146 PolarHBondContact O-N 2.97Å
143S93.6Very high92.1Very high2 Ų263.2 Ų63.21%0.01433%0.325CS..Hα-helixtrans-65-40.2175.952.70000111.2S66 T140 R146 W147S66-S143 WeakPolarHBondContact O-CB 3.46Å; T140-S143 PolarHBondContact N-OG 2.86Å; T140-S143 PolarHBondContact O-N 2.82Å; T140-S143 PolarHBondContact O-OG 3.17Å; T140-S143 PolarHBondContact OG1-N 2.92Å; T140-S143 PolarHBondContact OG1-OG 3.18Å; S143-R146 PolarHBondContact O-N 3.15Å; S143-W147 WeakPolarHBondContact O-CB 3.29Å; S143-W147 PolarHBondContact O-N 2.63Å
144R95.6Very high91.2Very high53 Ų5368.6 Ų68.620%0.235%0.353CS..Hα-helixtrans-63.2-45175.2-171.6178.6-62.7-74.20.8112.3E136 I139 T140 E141 W147 K148E136-R144 IonicContact OE1-CZ 3.42Å; E136-R144 IonicContact OE1-NH2 3.66Å; E136-R144 PolarHBondContact OE1-NH2 3.04Å; E136-R144 IonicContact OE2-CZ 3.7Å; E136-R144 IonicContact OE2-NH2 2.62Å; E136-R144 PolarHBondContact OE2-NH2 2.83Å; I139-R144 HydrophobicContact CG2-CB 4.22Å; T140-R144 WeakPolarHBondContact O-CB 3.22Å; T140-R144 PolarHBondContact O-N 2.92Å; E141-R144 PolarHBondContact O-N 2.85Å; R144-W147 PolarHBondContact O-N 3.26Å; R144-K148 HydrophobicContact CG-CD 4.37Å; R144-K148 WeakPolarHBondContact O-CG 3.11Å; R144-K148 PolarHBondContact O-N 2.82Å
145M92.9Very high90.1Very high59 Ų5966 Ų6629%0.29134%0.339SS..Hα-helixtrans-60.2-45.2175.7175-82.1-63.500111.4E141 Y142 W147 K148 K149E141-M145 WeakPolarHBondContact O-CB 3.32Å; E141-M145 PolarHBondContact O-N 3.2Å; Y142-M145 HydrophobicContact CD2-CE 3.54Å; Y142-M145 HydrophobicContact CE2-CE 3.6Å; Y142-M145 HydrophobicContact CG-CE 4.45Å; Y142-M145 PolarHBondContact O-N 3.45Å; M145-W147 VanDerWaalsContact C-N 3.34Å; M145-W147 PolarHBondContact O-N 2.88Å; M145-K148 PolarHBondContact O-N 2.95Å; M145-K149 WeakPolarHBondContact O-CG 3.49Å; M145-K149 PolarHBondContact O-N 3.18Å; M145-K149 VanDerWaalsContact O-N 3.17Å; M145-K149 HydrophobicContact SD-CD 3.74Å; M145-K149 WeakPolarHBondContact SD-CE 3.32Å; M145-K149 HydrophobicContact SD-CG 4.4Å; M145-K149 PolarHBondContact SD-NZ 2.87Å; M145-K149 VanDerWaalsContact SD-NZ 3.44Å
146R90.3Very high89Confident42 Ų4267.8 Ų67.816%0.15835%0.35CS..Hα-helixtrans-61.3-42176.8-76.4-174.966.4-177.2-0.5112.1Y142 S143 N150 K164 L189Y142-R146 VanDerWaalsContact CE1-CD 3.46Å; Y142-R146 HydrophobicContact CE1-CG 4.26Å; Y142-R146 WeakPolarHBondContact O-CG 3.26Å; Y142-R146 PolarHBondContact O-N 2.97Å; S143-R146 PolarHBondContact O-N 3.15Å; R146-N150 PolarHBondContact O-ND2 3.48Å; R146-K164 VanDerWaalsContact NH2-CB 3.28Å; R146-K164 PolarHBondContact NH2-O 2.8Å; R146-L189 HydrophobicContact CB-CD1 4.21Å; R146-L189 HydrophobicContact CB-CD2 3.98Å
147W92.3Very high87.5Confident41 Ų4164.7 Ų64.716%0.15534%0.339CS..Hα-helixtrans-65.8-47.9177.7179.178.5000112.3L68 N69 G72 S143 R144 M145 K149 N150 L151 L189L68-W147 HydrophobicContact CB-CB 4.03Å; L68-W147 HydrophobicContact CB-CG 3.91Å; L68-W147 HydrophobicContact CD1-CB 3.74Å; L68-W147 HydrophobicContact CD1-CD2 4.29Å; L68-W147 HydrophobicContact CD1-CG 3.93Å; L68-W147 HydrophobicContact CG-CB 4.17Å; L68-W147 HydrophobicContact CG-CG 4.42Å; N69-W147 VanDerWaalsContact O-CD1 3.31Å; N69-W147 PolarHBondContact O-NE1 3.36Å; G72-W147 VanDerWaalsContact CA-CE2 3.43Å; S143-W147 WeakPolarHBondContact O-CB 3.29Å; S143-W147 PolarHBondContact O-N 2.63Å; R144-W147 PolarHBondContact O-N 3.26Å; M145-W147 VanDerWaalsContact C-N 3.34Å; M145-W147 PolarHBondContact O-N 2.88Å; W147-K149 VanDerWaalsContact C-N 3.26Å; W147-K149 PolarHBondContact O-N 3.42Å; W147-N150 WeakPolarHBondContact O-CB 3.16Å; W147-N150 PolarHBondContact O-N 3.18Å; W147-L151 HydrophobicContact CD2-CD1 4.38Å; W147-L151 HydrophobicContact CE3-CD1 4.02Å; W147-L151 HydrophobicContact CH2-CD1 3.63Å; W147-L151 HydrophobicContact CZ2-CD1 3.99Å; W147-L151 HydrophobicContact CZ2-CD2 4.34Å; W147-L151 HydrophobicContact CZ3-CD1 3.63Å; W147-L189 HydrophobicContact CB-CD1 4.3Å
148K91.3Very high86.1Confident114 Ų11465.9 Ų65.950%0.49634%0.344SS..Hα-helixtrans-58.2-36.1178.6-75.7178.6177.61740112.9R144 M145 N150 L151R144-K148 HydrophobicContact CG-CD 4.37Å; R144-K148 WeakPolarHBondContact O-CG 3.11Å; R144-K148 PolarHBondContact O-N 2.82Å; M145-K148 PolarHBondContact O-N 2.95Å; K148-N150 PolarHBondContact O-N 2.93Å; K148-L151 WeakPolarHBondContact O-CB 3.39Å; K148-L151 PolarHBondContact O-N 3.11Å
149K86.5Confident84.6Confident141 Ų14172.2 Ų72.261%0.61337%0.373SS*.Hα-helixtrans-58.5-28175.5-78.4-178.8174.6176.80113M145 W147 L151M145-K149 WeakPolarHBondContact O-CG 3.49Å; M145-K149 PolarHBondContact O-N 3.18Å; M145-K149 VanDerWaalsContact O-N 3.17Å; M145-K149 HydrophobicContact SD-CD 3.74Å; M145-K149 WeakPolarHBondContact SD-CE 3.32Å; M145-K149 HydrophobicContact SD-CG 4.4Å; M145-K149 PolarHBondContact SD-NZ 2.87Å; M145-K149 VanDerWaalsContact SD-NZ 3.44Å; W147-K149 VanDerWaalsContact C-N 3.26Å; W147-K149 PolarHBondContact O-N 3.42Å; K149-L151 VanDerWaalsContact C-N 3.33Å
150N79.6Confident83.1Confident11 Ų1172.4 Ų72.46%0.05938%0.376CS..THydrogen-bonded Turntrans-83.6-7.1178-60.7-41.1000114.3R146 W147 K148 A152 A155 C160 L189 N190R146-N150 PolarHBondContact O-ND2 3.48Å; W147-N150 WeakPolarHBondContact O-CB 3.16Å; W147-N150 PolarHBondContact O-N 3.18Å; K148-N150 PolarHBondContact O-N 2.93Å; N150-A152 VanDerWaalsContact C-N 3.32Å; N150-A155 WeakPolarHBondContact O-CB 3.39Å; N150-C160 WeakPolarHBondContact OD1-CB 3.21Å; N150-C160 PolarHBondContact OD1-SG 3.28Å; N150-L189 WeakPolarHBondContact ND2-CD2 3.31Å; N150-L189 WeakPolarHBondContact ND2-CG 3.28Å; N150-N190 WeakPolarHBondContact CB-ND2 3.5Å; N150-N190 PolarHBondContact ND2-ND2 2.88Å; N150-N190 PolarHBondContact ND2-OD1 3.39Å
151L83.2Confident81.8Confident103 Ų10373 Ų7354%0.53938%0.377SS..THydrogen-bonded Turntrans-90-3.2175.7-57.1178.5000111.9W147 K148 K149W147-L151 HydrophobicContact CD2-CD1 4.38Å; W147-L151 HydrophobicContact CE3-CD1 4.02Å; W147-L151 HydrophobicContact CH2-CD1 3.63Å; W147-L151 HydrophobicContact CZ2-CD1 3.99Å; W147-L151 HydrophobicContact CZ2-CD2 4.34Å; W147-L151 HydrophobicContact CZ3-CD1 3.63Å; K148-L151 WeakPolarHBondContact O-CB 3.39Å; K148-L151 PolarHBondContact O-N 3.11Å; K149-L151 VanDerWaalsContact C-N 3.33Å
152A82.6Confident80.1Confident39 Ų3972.5 Ų72.532%0.32238%0.377SS..SBendtrans-64.7145.1176.100000110.5N150 D154 A155N150-A152 VanDerWaalsContact C-N 3.32Å; A152-D154 PolarHBondContact O-N 3.21Å; A152-A155 HydrophobicContact CB-CB 4.26Å; A152-A155 WeakPolarHBondContact O-CB 3.45Å; A152-A155 PolarHBondContact O-N 2.67Å
153P76.1Confident78.4Confident145 Ų14571.1 Ų71.194%0.94238%0.382SS*.THydrogen-bonded Turntrans-57.6-24.8-174.5-26.134.6000115.4
154D79.7Confident77Confident145 Ų14575.5 Ų75.578%0.77540%0.4SS*.THydrogen-bonded Turntrans-103.62.3-17961.7-30.7000113.4A152A152-D154 PolarHBondContact O-N 3.21Å
155A75.4Confident75.6Confident31 Ų3174.8 Ų74.826%0.25640%0.4SS..  trans-70.5134.9-179.200000111.6N150 A152 P157N150-A155 WeakPolarHBondContact O-CB 3.39Å; A152-A155 HydrophobicContact CB-CB 4.26Å; A152-A155 WeakPolarHBondContact O-CB 3.45Å; A152-A155 PolarHBondContact O-N 2.67Å; A155-P157 WeakPolarHBondContact O-CD 3.13Å
156N72Confident74.8Confident75 Ų7572.5 Ų72.540%0.40139%0.392SS..  trans-100.5108.3166.4-175.4-17.8000109.5V158 E159 C160N156-V158 VanDerWaalsContact C-N 3.26Å; N156-V158 PolarHBondContact O-N 2.98Å; N156-V158 WeakPolarHBondContact OD1-CB 3.45Å; N156-V158 PolarHBondContact OD1-N 2.87Å; N156-E159 HydrophobicContact CB-CB 3.93Å; N156-E159 PolarHBondContact O-N 3.37Å; N156-E159 PolarHBondContact OD1-N 3.38Å; N156-C160 PolarHBondContact O-N 3.21Å; N156-C160 VanDerWaalsContact O-N 3.14Å; N156-C160 PolarHBondContact O-SG 3.06Å; N156-C160 VanDerWaalsContact O-SG 3.39Å
157P66.7Low75Confident50 Ų5070.8 Ų70.833%0.32539%0.386SS..Hα-helixtrans-57.8-37.2179.9-26.335.4000113A155 C160 Q161 N190A155-P157 WeakPolarHBondContact O-CD 3.13Å; P157-C160 PolarHBondContact O-N 3.01Å; P157-Q161 WeakPolarHBondContact O-CG 3.48Å; P157-Q161 PolarHBondContact O-N 3.38Å; P157-N190 HydrophobicContact CB-CB 4.48Å
158V68.3Low75.3Confident90 Ų9068.9 Ų68.955%0.54538%0.378SS..Hα-helixtrans-66.6-43.5-179.2-179.90000110.8N156 C160 Q161 M162N156-V158 VanDerWaalsContact C-N 3.26Å; N156-V158 PolarHBondContact O-N 2.98Å; N156-V158 WeakPolarHBondContact OD1-CB 3.45Å; N156-V158 PolarHBondContact OD1-N 2.87Å; V158-C160 VanDerWaalsContact C-N 3.27Å; V158-C160 PolarHBondContact O-N 2.86Å; V158-Q161 WeakPolarHBondContact O-CB 3.49Å; V158-Q161 PolarHBondContact O-N 2.86Å; V158-M162 WeakPolarHBondContact O-CG 3.31Å; V158-M162 PolarHBondContact O-N 2.95Å
159E67.4Low75.6Confident136 Ų13663.4 Ų63.464%0.63636%0.355SS*.Hα-helixtrans-64.1-36.5177.4-170178178.700111.5N156 Q161 M162N156-E159 HydrophobicContact CB-CB 3.93Å; N156-E159 PolarHBondContact O-N 3.37Å; N156-E159 PolarHBondContact OD1-N 3.38Å; E159-Q161 PolarHBondContact O-N 2.79Å; E159-M162 PolarHBondContact O-N 2.81Å
160C65.8Low76.2Confident26 Ų2656.7 Ų56.718%0.17633%0.326CS..Hα-helixtrans-71.6-16179.2-68.90000113.9N150 N156 P157 V158N150-C160 WeakPolarHBondContact OD1-CB 3.21Å; N150-C160 PolarHBondContact OD1-SG 3.28Å; N156-C160 PolarHBondContact O-N 3.21Å; N156-C160 VanDerWaalsContact O-N 3.14Å; N156-C160 PolarHBondContact O-SG 3.06Å; N156-C160 VanDerWaalsContact O-SG 3.39Å; P157-C160 PolarHBondContact O-N 3.01Å; V158-C160 VanDerWaalsContact C-N 3.27Å; V158-C160 PolarHBondContact O-N 2.86Å
161Q69.2Low77.1Confident35 Ų3556.2 Ų56.216%0.16432%0.323CS..Hα-helixtrans-85.5-29.8173.3-68167.8-11.400112.3P157 V158 E159 G163 M188 L189 N190P157-Q161 WeakPolarHBondContact O-CG 3.48Å; P157-Q161 PolarHBondContact O-N 3.38Å; V158-Q161 WeakPolarHBondContact O-CB 3.49Å; V158-Q161 PolarHBondContact O-N 2.86Å; E159-Q161 PolarHBondContact O-N 2.79Å; Q161-G163 PolarHBondContact O-N 3.3Å; Q161-M188 HydrophobicContact CB-CE 4.34Å; Q161-M188 HydrophobicContact CB-CG 3.74Å; Q161-M188 HydrophobicContact CB-SD 3.61Å; Q161-M188 HydrophobicContact CG-CG 3.41Å; Q161-M188 VanDerWaalsContact CG-CG 3.41Å; Q161-M188 HydrophobicContact CG-SD 3.53Å; Q161-M188 VanDerWaalsContact CG-SD 3.53Å; Q161-M188 PolarHBondContact OE1-SD 3.28Å; Q161-L189 WeakPolarHBondContact CG-O 3.47Å; Q161-L189 PolarHBondContact NE2-O 3.13Å; Q161-N190 PolarHBondContact NE2-O 3.44Å
162M60.3Low77.9Confident123 Ų12351.3 Ų51.361%0.60630%0.297SS*.THydrogen-bonded Turntrans-69.8130.2-176-66.7-146.972.400112.2V158 E159 K164V158-M162 WeakPolarHBondContact O-CG 3.31Å; V158-M162 PolarHBondContact O-N 2.95Å; E159-M162 PolarHBondContact O-N 2.81Å; M162-K164 PolarHBondContact O-N 3.22Å
163G57Low78.7Confident33 Ų3349.4 Ų49.434%0.3428%0.282SS..THydrogen-bonded Turntrans675.217400000115.3G12 H13 Q161G12-G163 CarbonylContact C-O 3.53Å; G12-G163 WeakPolarHBondContact CA-O 3.25Å; H13-G163 WeakPolarHBondContact CB-O 3.48Å; H13-G163 PolarHBondContact N-O 3.09Å; Q161-G163 PolarHBondContact O-N 3.3Å
164K65.2Low79.7Confident93 Ų9342.9 Ų42.940%0.40424%0.239SC..  trans-118.148.1177.5-56.9178.6-172.7165.10111.1R146 M162R146-K164 VanDerWaalsContact NH2-CB 3.28Å; R146-K164 PolarHBondContact NH2-O 2.8Å; M162-K164 PolarHBondContact O-N 3.22Å
165M66Low80.6Confident38 Ų3839.9 Ų39.919%0.18723%0.226CC..  trans-86.9145.5179.2-52.811617600110.3A11 G219 H220A11-M165 WeakPolarHBondContact O-CB 3.47Å; M165-G219 WeakPolarHBondContact CG-O 3.45Å; M165-H220 HydrophobicContact CE-CB 3.6Å
166G75.7Confident81.6Confident12 Ų1244.7 Ų44.712%0.12425%0.247CC..  trans-146.1100.917400000108.5N61 T185N61-G166 WeakPolarHBondContact CB-O 3.42Å; N61-G166 VanDerWaalsContact CG-O 3.22Å; N61-G166 PolarHBondContact ND2-O 3.23Å; G166-T185 PolarHBondContact O-OG1 2.74Å
167T94.1Very high82.8Confident6 Ų641.8 Ų41.84%0.03724%0.235CC..  trans-117.8136.4168.6-700000105.9H8 G9 G10 T183 S184 T185 T218H8-T167 PolarHBondContact CE1-O 3.03Å; H8-T167 PolarHBondContact ND1-O 3.37Å; G9-T167 CarbonylContact C-O 3.57Å; G10-T167 WeakPolarHBondContact CA-O 3.25Å; G10-T167 PolarHBondContact N-O 2.92Å; G10-T167 VanDerWaalsContact N-O 3.1Å; T167-T183 HydrophobicContact CG2-CG2 3.38Å; T167-S184 WeakPolarHBondContact CG2-O 3.45Å; T167-T185 WeakPolarHBondContact OG1-CB 3.39Å; T167-T185 PolarHBondContact OG1-OG1 3.32Å; T167-T185 VanDerWaalsContact OG1-OG1 3.06Å; T167-T218 PolarHBondContact N-OG1 3.45Å
168V98.7Very high84.3Confident0 Ų040.5 Ų40.50%023%0.225CC..EExtended strand (participates in β ladder)trans-97.6151.9176.4-52.60000108.9H8 L54 F60 A62 T183 S184H8-V168 VanDerWaalsContact CE1-C 3.44Å; H8-V168 WeakPolarHBondContact O-CA 3.4Å; L54-V168 HydrophobicContact CB-CB 3.89Å; L54-V168 HydrophobicContact CB-CG1 3.93Å; L54-V168 HydrophobicContact CB-CG2 3.92Å; L54-V168 HydrophobicContact CD1-CB 3.78Å; L54-V168 HydrophobicContact CD1-CG1 4.34Å; L54-V168 HydrophobicContact CD1-CG2 4.37Å; L54-V168 HydrophobicContact CG-CB 4.45Å; F60-V168 HydrophobicContact CB-CG1 3.57Å; F60-V168 HydrophobicContact CD1-CG1 4.07Å; F60-V168 HydrophobicContact CG-CG1 3.96Å; A62-V168 HydrophobicContact CB-CB 4.48Å; A62-V168 HydrophobicContact CB-CG1 4.18Å; A62-V168 HydrophobicContact CB-CG2 3.53Å; V168-T183 WeakPolarHBondContact O-CA 3.49Å; V168-S184 WeakPolarHBondContact CG2-O 3.49Å; V168-S184 PolarHBondContact N-O 3.49Å; V168-S184 PolarHBondContact O-N 3.17Å
169G98.8Very high85.8Confident0 Ų036.2 Ų36.20%020%0.199CC..EExtended strand (participates in β ladder)trans-174.8165176.800000113V7 H8 A182 S216V7-G169 CarbonylContact C-O 3.52Å; V7-G169 WeakPolarHBondContact CA-O 3.45Å; H8-G169 PolarHBondContact CE1-N 2.91Å; H8-G169 VanDerWaalsContact CE1-N 3.31Å; H8-G169 PolarHBondContact N-O 2.98Å; H8-G169 PolarHBondContact O-N 3.13Å; H8-G169 VanDerWaalsContact O-N 3.09Å; G169-A182 CarbonylContact C-O 3.59Å; G169-A182 WeakPolarHBondContact CA-O 3.3Å; G169-S216 WeakPolarHBondContact CA-OG 3.07Å
170A98.9Very high87.3Confident0 Ų029.7 Ų29.70%017%0.169CC..EExtended strand (participates in β ladder)trans-144.9148.2-175.100000110.8V6 V7 V47 A50 C181 A182V6-A170 CarbonylContact O-C 3.6Å; V6-A170 VanDerWaalsContact O-CA 3.23Å; V6-A170 WeakPolarHBondContact O-CA 3.45Å; V7-A170 HydrophobicContact CG2-CB 4.04Å; V47-A170 HydrophobicContact CB-CB 4.03Å; V47-A170 HydrophobicContact CG1-CB 4.06Å; A50-A170 HydrophobicContact CB-CB 3.76Å; A170-C181 CarbonylContact O-C 3.56Å; A170-C181 VanDerWaalsContact O-CA 3.31Å; A170-C181 WeakPolarHBondContact O-CA 3.14Å; A170-A182 PolarHBondContact N-O 3.41Å; A170-A182 PolarHBondContact O-N 2.99Å
171V98.9Very high88.9Confident0 Ų028.5 Ų28.50%016%0.16CC..EExtended strand (participates in β ladder)trans-129.3146.7166.2-61.20000108.6V5 V6 A180 C181 A214 V215 V265 V267V5-V171 WeakPolarHBondContact CA-O 3.45Å; V6-V171 HydrophobicContact CB-CG2 3.91Å; V6-V171 HydrophobicContact CG2-CG2 4.38Å; V6-V171 PolarHBondContact N-O 3.25Å; V6-V171 PolarHBondContact O-N 3.42Å; V171-A180 WeakPolarHBondContact CA-O 3.5Å; V171-C181 HydrophobicContact CG1-CB 3.96Å; V171-A214 HydrophobicContact CB-CB 4.06Å; V171-A214 HydrophobicContact CG1-CB 4.03Å; V171-V215 VanDerWaalsContact CG1-C 3.5Å; V171-V265 HydrophobicContact CG1-CG2 4.05Å; V171-V265 HydrophobicContact CG2-CB 4.29Å; V171-V265 HydrophobicContact CG2-CG2 3.87Å; V171-V267 HydrophobicContact CB-CG1 3.83Å; V171-V267 HydrophobicContact CG2-CB 3.97Å; V171-V267 HydrophobicContact CG2-CG1 3.7Å
172A98.9Very high90.3Very high0 Ų026.8 Ų26.80%015%0.153CC..EExtended strand (participates in β ladder)trans-144158178.700000111.4V4 V5 L37 A46 V47 V179 A180V4-A172 CarbonylContact O-C 3.54Å; V4-A172 VanDerWaalsContact O-CA 3.23Å; V4-A172 WeakPolarHBondContact O-CA 3.09Å; V5-A172 HydrophobicContact CG1-CB 4.43Å; V5-A172 HydrophobicContact CG2-CB 4.04Å; L37-A172 HydrophobicContact CD1-CB 4.32Å; A46-A172 HydrophobicContact CB-CB 4.31Å; V47-A172 HydrophobicContact CG1-CB 3.59Å; A172-V179 VanDerWaalsContact O-CA 3.24Å; A172-V179 WeakPolarHBondContact O-CA 3.38Å; A172-A180 PolarHBondContact N-O 3.12Å; A172-A180 VanDerWaalsContact N-O 3.08Å; A172-A180 PolarHBondContact O-N 2.99Å; A172-A180 VanDerWaalsContact O-N 3.07Å
173V98.8Very high92.1Very high0 Ų021 Ų210%012%0.124CC..EExtended strand (participates in β ladder)trans-131.4125.8164.258.20000109L2 P3 V4 N178 V179 V267L2-V173 HydrophobicContact CD1-CG2 4.45Å; L2-V173 HydrophobicContact CD2-CB 4.01Å; L2-V173 HydrophobicContact CD2-CG1 3.33Å; L2-V173 HydrophobicContact CD2-CG2 3.51Å; P3-V173 WeakPolarHBondContact CA-O 3.41Å; V4-V173 HydrophobicContact CB-CG1 3.81Å; V4-V173 HydrophobicContact CG2-CG1 4.08Å; V4-V173 PolarHBondContact N-O 2.92Å; V4-V173 PolarHBondContact O-N 2.98Å; V173-N178 WeakPolarHBondContact CA-O 3.33Å; V173-V179 HydrophobicContact CB-CG1 4.04Å; V173-V179 HydrophobicContact CG2-CG1 3.97Å; V173-V267 HydrophobicContact CB-CG2 4.33Å; V173-V267 HydrophobicContact CG1-CG2 3.68Å
174D98.6Very high94.1Very high7 Ų719.4 Ų19.44%0.03711%0.108CC..  trans-82.5-177.8-179.864.427.3000112.3L2 L37 S43 D176 G177 N178L2-D174 WeakPolarHBondContact CD1-O 3.36Å; L37-D174 HydrophobicContact CD2-CB 4.04Å; S43-D174 PolarHBondContact N-OD2 3.47Å; D174-D176 PolarHBondContact O-N 3.35Å; D174-D176 WeakPolarHBondContact OD1-CA 3.31Å; D174-D176 WeakPolarHBondContact OD1-CB 3.22Å; D174-D176 PolarHBondContact OD1-N 3.23Å; D174-G177 PolarHBondContact O-N 3.25Å; D174-G177 PolarHBondContact OD1-N 3.33Å; D174-G177 VanDerWaalsContact OD1-N 3.09Å; D174-N178 PolarHBondContact N-O 3.45Å; D174-N178 VanDerWaalsContact N-O 3.1Å; D174-N178 PolarHBondContact OD1-N 3.28Å; D174-N178 PolarHBondContact OD1-ND2 3.11Å; D174-N178 WeakPolarHBondContact OD2-CB 3.37Å; D174-N178 PolarHBondContact OD2-ND2 2.9Å; D174-N178 VanDerWaalsContact OD2-ND2 3.12Å
175T97.1Very high95.7Very high82 Ų8215 Ų1550%0.5039%0.089SC..THydrogen-bonded Turntrans-67.3-20.4-179.350.10000113.9P3 G177P3-T175 HydrophobicContact CG-CG2 4.48Å; T175-G177 VanDerWaalsContact C-N 3.32Å
176D96.9Very high97.2Very high133 Ų13313.2 Ų13.271%0.7118%0.08SC*.THydrogen-bonded Turntrans-90-3.1179-64.5-19.5000111.9D174 N178D174-D176 PolarHBondContact O-N 3.35Å; D174-D176 WeakPolarHBondContact OD1-CA 3.31Å; D174-D176 WeakPolarHBondContact OD1-CB 3.22Å; D174-D176 PolarHBondContact OD1-N 3.23Å; D176-N178 WeakPolarHBondContact CB-ND2 3.23Å
177G97.4Very high98.2Very high13 Ų1313.1 Ų13.113%0.1348%0.079CC..  trans81.613.8-177.900000113.8D174 T175D174-G177 PolarHBondContact O-N 3.25Å; D174-G177 PolarHBondContact OD1-N 3.33Å; D174-G177 VanDerWaalsContact OD1-N 3.09Å; T175-G177 VanDerWaalsContact C-N 3.32Å
178N98.8Very high98.1Very high23 Ų2314.1 Ų14.112%0.1238%0.084CC..  trans-79.3132.8173.4-48.2-68.7000110S43 V173 D174 D176 N210S43-N178 WeakPolarHBondContact CB-O 3.33Å; S43-N178 PolarHBondContact OG-O 3.5Å; V173-N178 WeakPolarHBondContact CA-O 3.33Å; D174-N178 PolarHBondContact N-O 3.45Å; D174-N178 VanDerWaalsContact N-O 3.1Å; D174-N178 PolarHBondContact OD1-N 3.28Å; D174-N178 PolarHBondContact OD1-ND2 3.11Å; D174-N178 WeakPolarHBondContact OD2-CB 3.37Å; D174-N178 PolarHBondContact OD2-ND2 2.9Å; D174-N178 VanDerWaalsContact OD2-ND2 3.12Å; D176-N178 WeakPolarHBondContact CB-ND2 3.23Å; N178-N210 WeakPolarHBondContact CA-OD1 3.23Å; N178-N210 PolarHBondContact OD1-ND2 2.94Å
179V98.9Very high97.8Very high0 Ų014.5 Ų14.50%09%0.086CC..EExtended strand (participates in β ladder)trans-100.8149.7177.1-56.70000111.2G83 A172 V173 A208 D209 N210 A214 P269G83-V179 VanDerWaalsContact CA-O 3.28Å; G83-V179 WeakPolarHBondContact CA-O 3.43Å; G83-V179 PolarHBondContact N-O 3.3Å; A172-V179 VanDerWaalsContact O-CA 3.24Å; A172-V179 WeakPolarHBondContact O-CA 3.38Å; V173-V179 HydrophobicContact CB-CG1 4.04Å; V173-V179 HydrophobicContact CG2-CG1 3.97Å; V179-A208 HydrophobicContact CG2-CB 4.31Å; V179-D209 WeakPolarHBondContact CG2-O 3.1Å; V179-N210 PolarHBondContact N-OD1 2.91Å; V179-A214 HydrophobicContact CB-CB 3.9Å; V179-A214 HydrophobicContact CG2-CB 4.11Å; V179-P269 HydrophobicContact CG1-CB 4.38Å; V179-P269 HydrophobicContact CG1-CG 4.18Å
180A98.9Very high97.5Very high0 Ų014.9 Ų14.90%09%0.087CC..EExtended strand (participates in β ladder)trans-146159.4172.700000110.7M44 V47 M81 V171 A172 A214M44-A180 HydrophobicContact CB-CB 4.22Å; M44-A180 HydrophobicContact CE-CB 4.28Å; V47-A180 HydrophobicContact CG1-CB 4.46Å; V47-A180 HydrophobicContact CG2-CB 3.92Å; M81-A180 WeakPolarHBondContact O-CA 3.4Å; V171-A180 WeakPolarHBondContact CA-O 3.5Å; A172-A180 PolarHBondContact N-O 3.12Å; A172-A180 VanDerWaalsContact N-O 3.08Å; A172-A180 PolarHBondContact O-N 2.99Å; A172-A180 VanDerWaalsContact O-N 3.07Å; A180-A214 WeakPolarHBondContact O-CB 3.41Å
181C98.9Very high97.2Very high0 Ų015.1 Ų15.10%09%0.088CC..EExtended strand (participates in β ladder)trans-133.6150.7170.569.90000112.1V80 M81 A170 V171 Y207 A208 A214V80-C181 WeakPolarHBondContact CA-O 3.47Å; M81-C181 PolarHBondContact N-O 3.46Å; M81-C181 PolarHBondContact O-N 2.81Å; M81-C181 VanDerWaalsContact O-N 3.08Å; A170-C181 CarbonylContact O-C 3.56Å; A170-C181 VanDerWaalsContact O-CA 3.31Å; A170-C181 WeakPolarHBondContact O-CA 3.14Å; V171-C181 HydrophobicContact CG1-CB 3.96Å; C181-Y207 PolarHBondContact SG-N 3.38Å; C181-Y207 VanDerWaalsContact SG-N 3.44Å; C181-A208 HydrophobicContact CB-CB 4.48Å; C181-A214 HydrophobicContact CB-CB 4.34Å
182A98.9Very high97Very high0 Ų021.8 Ų21.80%012%0.122CC..EExtended strand (participates in β ladder)trans-137.2140.7167.600000110.5V47 A51 L79 V80 V101 G169 A170V47-A182 HydrophobicContact CB-CB 3.82Å; V47-A182 HydrophobicContact CG2-CB 3.85Å; A51-A182 HydrophobicContact CB-CB 4.08Å; L79-A182 CarbonylContact O-C 3.54Å; L79-A182 VanDerWaalsContact O-CA 3.29Å; L79-A182 WeakPolarHBondContact O-CA 3.45Å; V80-A182 HydrophobicContact CG1-CB 4.01Å; V101-A182 HydrophobicContact CG2-CB 3.91Å; G169-A182 CarbonylContact C-O 3.59Å; G169-A182 WeakPolarHBondContact CA-O 3.3Å; A170-A182 PolarHBondContact N-O 3.41Å; A170-A182 PolarHBondContact O-N 2.99Å
183T98.9Very high96.9Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-140.8136.9178.9-470000109A78 L79 T167 V168 T199 G205 S216A78-T183 CarbonylContact C-O 3.47Å; A78-T183 WeakPolarHBondContact CA-O 3.39Å; L79-T183 PolarHBondContact N-O 3.23Å; L79-T183 PolarHBondContact O-N 3.02Å; T167-T183 HydrophobicContact CG2-CG2 3.38Å; V168-T183 WeakPolarHBondContact O-CA 3.49Å; T183-T199 HydrophobicContact CG2-CG2 3.81Å; T183-T199 WeakPolarHBondContact O-CG2 3.17Å; T183-G205 PolarHBondContact OG1-O 3.19Å; T183-S216 PolarHBondContact OG1-OG 3.01Å
184S98.9Very high96.8Very high0 Ų027.9 Ų27.90%016%0.161CC..EExtended strand (participates in β ladder)trans-144.2145.6-179.3-174.40000111.6E55 D77 T167 V168E55-S184 VanDerWaalsContact OE1-CB 3.25Å; E55-S184 WeakPolarHBondContact OE1-CB 3.2Å; E55-S184 PolarHBondContact OE1-OG 3Å; D77-S184 WeakPolarHBondContact O-CA 3.46Å; T167-S184 WeakPolarHBondContact CG2-O 3.45Å; V168-S184 WeakPolarHBondContact CG2-O 3.49Å; V168-S184 PolarHBondContact N-O 3.49Å; V168-S184 PolarHBondContact O-N 3.17Å
185T98.7Very high96.7Very high2 Ų229.4 Ų29.41%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-155.5148.2-177.3-164.10000113.5N61 M76 D77 G166 T167 G187 T199N61-T185 CarbonylContact O-C 3.55Å; N61-T185 WeakPolarHBondContact O-CA 3.18Å; M76-T185 VanDerWaalsContact CA-O 3.26Å; M76-T185 WeakPolarHBondContact CA-O 3.41Å; D77-T185 HydrophobicContact CB-CG2 4.06Å; D77-T185 PolarHBondContact N-O 3.34Å; D77-T185 PolarHBondContact O-N 3.24Å; G166-T185 PolarHBondContact O-OG1 2.74Å; T167-T185 WeakPolarHBondContact OG1-CB 3.39Å; T167-T185 PolarHBondContact OG1-OG1 3.32Å; T167-T185 VanDerWaalsContact OG1-OG1 3.06Å; T185-G187 WeakPolarHBondContact OG1-CA 3.47Å; T185-G187 PolarHBondContact OG1-N 2.9Å; T185-T199 HydrophobicContact CG2-CG2 3.98Å; T185-T199 VanDerWaalsContact CG2-OG1 3.25Å; T185-T199 WeakPolarHBondContact CG2-OG1 3.36Å
186G97.9Very high96.8Very high0 Ų027.9 Ų27.90%016%0.157CC..  trans-77.7-6.1158.100000112.8N61 E75 K191N61-G186 PolarHBondContact O-N 3.46Å; N61-G186 WeakPolarHBondContact OD1-CA 3.23Å; E75-G186 CarbonylContact O-C 3.52Å; E75-G186 VanDerWaalsContact O-O 3.07Å; G186-K191 WeakPolarHBondContact O-CE 3.44Å; G186-K191 PolarHBondContact O-NZ 2.99Å
187G95.8Very high96.8Very high10 Ų1021.6 Ų21.610%0.10312%0.123CC..  trans82.4-135.9-179.300000111.9N61 V67 T185N61-G187 PolarHBondContact ND2-O 3.06Å; V67-G187 WeakPolarHBondContact CG2-O 3.4Å; T185-G187 WeakPolarHBondContact OG1-CA 3.47Å; T185-G187 PolarHBondContact OG1-N 2.9Å
188M92.6Very high96.9Very high27 Ų2721.1 Ų21.113%0.13312%0.117CC..SBendtrans-109.3137-172.1176.4-177.6-71.100110.6V67 Q161 N190 K191V67-M188 VanDerWaalsContact CG2-C 3.48Å; Q161-M188 HydrophobicContact CB-CE 4.34Å; Q161-M188 HydrophobicContact CB-CG 3.74Å; Q161-M188 HydrophobicContact CB-SD 3.61Å; Q161-M188 HydrophobicContact CG-CG 3.41Å; Q161-M188 VanDerWaalsContact CG-CG 3.41Å; Q161-M188 HydrophobicContact CG-SD 3.53Å; Q161-M188 VanDerWaalsContact CG-SD 3.53Å; Q161-M188 PolarHBondContact OE1-SD 3.28Å; M188-N190 PolarHBondContact O-N 3.4Å; M188-K191 HydrophobicContact CB-CB 4.26Å; M188-K191 WeakPolarHBondContact O-CB 3.32Å; M188-K191 VanDerWaalsContact O-CG 3.31Å; M188-K191 WeakPolarHBondContact O-CG 3.43Å; M188-K191 PolarHBondContact O-N 3.2Å
189L92.3Very high96.9Very high8 Ų820 Ų204%0.04211%0.111CC..THydrogen-bonded Turntrans-57.4134.9176.8-179.966.2000110.1V67 R146 W147 N150 Q161 K191V67-L189 HydrophobicContact CB-CB 4.22Å; V67-L189 HydrophobicContact CB-CD1 4.18Å; V67-L189 HydrophobicContact CG1-CB 4.34Å; R146-L189 HydrophobicContact CB-CD1 4.21Å; R146-L189 HydrophobicContact CB-CD2 3.98Å; W147-L189 HydrophobicContact CB-CD1 4.3Å; N150-L189 WeakPolarHBondContact ND2-CD2 3.31Å; N150-L189 WeakPolarHBondContact ND2-CG 3.28Å; Q161-L189 WeakPolarHBondContact CG-O 3.47Å; Q161-L189 PolarHBondContact NE2-O 3.13Å; L189-K191 PolarHBondContact O-N 2.98Å
190N91.5Very high96.9Very high7 Ų720.4 Ų20.44%0.03711%0.114CC..THydrogen-bonded Turntrans57.326-176.7-7735.5000113.9L68 L70 N150 P157 Q161 M188L68-N190 PolarHBondContact O-N 2.97Å; L70-N190 HydrophobicContact CD2-CB 3.94Å; L70-N190 WeakPolarHBondContact CD2-O 3.26Å; L70-N190 WeakPolarHBondContact CG-O 3.47Å; N150-N190 WeakPolarHBondContact CB-ND2 3.5Å; N150-N190 PolarHBondContact ND2-ND2 2.88Å; N150-N190 PolarHBondContact ND2-OD1 3.39Å; P157-N190 HydrophobicContact CB-CB 4.48Å; Q161-N190 PolarHBondContact NE2-O 3.44Å; M188-N190 PolarHBondContact O-N 3.4Å
191K93.4Very high96.9Very high5 Ų522.5 Ų22.52%0.02213%0.128CC..PPolyproline II helixtrans-58148.5169.967.8-176.9-176-174.50110.3N69 L70 E75 G186 M188 L189 R195N69-K191 WeakPolarHBondContact CA-O 3.38Å; N69-K191 HydrophobicContact CB-CG 3.91Å; N69-K191 WeakPolarHBondContact CB-O 3.49Å; L70-K191 WeakPolarHBondContact CG-O 3.26Å; L70-K191 PolarHBondContact N-O 3.39Å; E75-K191 PolarHBondContact O-NZ 3.46Å; G186-K191 WeakPolarHBondContact O-CE 3.44Å; G186-K191 PolarHBondContact O-NZ 2.99Å; M188-K191 HydrophobicContact CB-CB 4.26Å; M188-K191 WeakPolarHBondContact O-CB 3.32Å; M188-K191 VanDerWaalsContact O-CG 3.31Å; M188-K191 WeakPolarHBondContact O-CG 3.43Å; M188-K191 PolarHBondContact O-N 3.2Å; L189-K191 PolarHBondContact O-N 2.98Å; K191-R195 HydrophobicContact CB-CB 4.02Å; K191-R195 HydrophobicContact CB-CG 4.27Å; K191-R195 HydrophobicContact CD-CB 4.35Å; K191-R195 HydrophobicContact CG-CB 4.41Å
192M94.6Very high96.9Very high141 Ų14125.8 Ų25.870%0.69515%0.145SC*.PPolyproline II helixtrans-56.5145165.3-67.617766.700109.3L70 G194 R195L70-M192 HydrophobicContact CD1-CG 4.08Å; M192-G194 PolarHBondContact O-N 3.1Å; M192-R195 HydrophobicContact CB-CB 4.48Å; M192-R195 WeakPolarHBondContact O-CB 3.25Å; M192-R195 PolarHBondContact O-N 3.22Å
193E95.9Very high96.8Very high88 Ų8826 Ų2641%0.41115%0.147SC..THydrogen-bonded Turntrans-55.8135.2173.5-175.1175.8-14900110.4K71 E75 R95 R195K71-E193 WeakPolarHBondContact CE-OE2 3.44Å; K71-E193 IonicContact NZ-OE1 2.74Å; K71-E193 PolarHBondContact NZ-OE1 3.4Å; K71-E193 VanDerWaalsContact NZ-OE1 3.14Å; K71-E193 IonicContact NZ-OE2 2.62Å; K71-E193 PolarHBondContact NZ-OE2 2.98Å; E75-E193 WeakPolarHBondContact OE2-CA 3.46Å; R95-E193 IonicContact CZ-OE1 3.89Å; R95-E193 IonicContact NH1-OE1 3.93Å; R95-E193 VanDerWaalsContact NH2-CG 3.27Å; R95-E193 IonicContact NH2-OE1 3.43Å; R95-E193 PolarHBondContact NH2-OE1 3.43Å; E193-R195 PolarHBondContact O-N 2.98Å
194G96.9Very high96.8Very high40 Ų4026.3 Ų26.341%0.41215%0.149SC..THydrogen-bonded Turntrans71.36.9-176.400000115.1E75 M192 V196E75-G194 PolarHBondContact OE1-N 3.26Å; E75-G194 PolarHBondContact OE2-N 3.02Å; M192-G194 PolarHBondContact O-N 3.1Å; G194-V196 PolarHBondContact O-N 2.87Å
195R97.8Very high96.8Very high38 Ų3826.3 Ų26.314%0.14315%0.149CC..  trans-64.1121.3169.5179.1-80-168.7175.61.5109.1K191 M192 E193 E222K191-R195 HydrophobicContact CB-CB 4.02Å; K191-R195 HydrophobicContact CB-CG 4.27Å; K191-R195 HydrophobicContact CD-CB 4.35Å; K191-R195 HydrophobicContact CG-CB 4.41Å; M192-R195 HydrophobicContact CB-CB 4.48Å; M192-R195 WeakPolarHBondContact O-CB 3.25Å; M192-R195 PolarHBondContact O-N 3.22Å; E193-R195 PolarHBondContact O-N 2.98Å; R195-E222 IonicContact CZ-OE1 3.22Å; R195-E222 VanDerWaalsContact CZ-OE1 3.22Å; R195-E222 IonicContact CZ-OE2 3.87Å; R195-E222 IonicContact NE-OE1 2.82Å; R195-E222 PolarHBondContact NE-OE1 3.49Å; R195-E222 IonicContact NH2-OE1 2.84Å; R195-E222 PolarHBondContact NH2-OE1 3.16Å; R195-E222 IonicContact NH2-OE2 2.79Å; R195-E222 PolarHBondContact NH2-OE2 3.02Å
196V98.6Very high96.8Very high51 Ų5126.2 Ų26.231%0.30915%0.149SC..  trans-100.7132.9174.6-176.40000110.1G194 P200G194-V196 PolarHBondContact O-N 2.87Å; V196-P200 HydrophobicContact CG1-CG 3.37Å
197G97.7Very high96.9Very high0 Ų028.2 Ų28.20%016%0.157CC..  trans-90-162.317700000114.3D77 P200 C201 M225D77-G197 PolarHBondContact OD2-N 2.94Å; G197-P200 WeakPolarHBondContact O-CD 3.37Å; G197-C201 PolarHBondContact O-SG 2.83Å; G197-M225 VanDerWaalsContact O-SD 3.41Å
198D98.6Very high97Very high4 Ų427.8 Ų27.82%0.02115%0.152CC..SBendtrans-69.8-31.4172.758.5-70.9000113.3C201 G205 G221 I224 M225D198-C201 WeakPolarHBondContact O-CA 3.43Å; D198-C201 VanDerWaalsContact O-CB 3.28Å; D198-C201 WeakPolarHBondContact O-CB 3.35Å; D198-C201 PolarHBondContact O-N 2.8Å; D198-G205 VanDerWaalsContact O-CA 3.26Å; D198-G205 WeakPolarHBondContact O-CA 3.46Å; D198-G205 PolarHBondContact O-N 2.82Å; D198-G205 WeakPolarHBondContact OD2-CA 3.33Å; D198-G221 WeakPolarHBondContact OD1-CA 3.35Å; D198-I224 HydrophobicContact CB-CB 3.82Å; D198-I224 HydrophobicContact CB-CG2 3.48Å; D198-I224 VanDerWaalsContact CB-CG2 3.48Å; D198-M225 HydrophobicContact CB-CG 3.84Å
199T98.7Very high97.3Very high0 Ų027.8 Ų27.80%015%0.152CC..THydrogen-bonded Turntrans-51.1-50.2-168.9-65.80000114.6D77 L79 T183 T185 C201D77-T199 HydrophobicContact CB-CG2 4.29Å; D77-T199 WeakPolarHBondContact O-CG2 3.19Å; L79-T199 WeakPolarHBondContact CB-O 3.35Å; T183-T199 HydrophobicContact CG2-CG2 3.81Å; T183-T199 WeakPolarHBondContact O-CG2 3.17Å; T185-T199 HydrophobicContact CG2-CG2 3.98Å; T185-T199 VanDerWaalsContact CG2-OG1 3.25Å; T185-T199 WeakPolarHBondContact CG2-OG1 3.36Å; T199-C201 PolarHBondContact O-N 2.98Å
200P98.7Very high97.6Very high7 Ų728.8 Ų28.85%0.04516%0.158CC..THydrogen-bonded Turntrans-83.40.6-179.336.1-33000113D77 A90 V91 V196 G197D77-P200 HydrophobicContact CB-CB 4.25Å; D77-P200 HydrophobicContact CB-CG 3.79Å; A90-P200 HydrophobicContact CB-CB 4.1Å; A90-P200 WeakPolarHBondContact CB-O 3.43Å; V91-P200 WeakPolarHBondContact O-CB 3.5Å; V196-P200 HydrophobicContact CG1-CG 3.37Å; G197-P200 WeakPolarHBondContact O-CD 3.37Å
201C98.8Very high97.9Very high44 Ų4436.1 Ų36.130%0.29719%0.194SC..SBendtrans-94.3106.2-177.1-62.30000109.8G197 D198 T199 G203 S204 G205G197-C201 PolarHBondContact O-SG 2.83Å; D198-C201 WeakPolarHBondContact O-CA 3.43Å; D198-C201 VanDerWaalsContact O-CB 3.28Å; D198-C201 WeakPolarHBondContact O-CB 3.35Å; D198-C201 PolarHBondContact O-N 2.8Å; T199-C201 PolarHBondContact O-N 2.98Å; C201-G203 PolarHBondContact O-N 3.21Å; C201-S204 WeakPolarHBondContact O-CA 3.45Å; C201-S204 WeakPolarHBondContact O-CB 3.46Å; C201-S204 PolarHBondContact O-N 2.76Å; C201-G205 PolarHBondContact O-N 3.43Å; C201-G205 VanDerWaalsContact O-N 3.13Å
202I98.8Very high98.2Very high69 Ų6936.3 Ų36.335%0.35420%0.196SC..BIsolated β-bridgetrans-52.5128.7176.9-62159.3000110.1L79 M81 S88 A114 S204 Y207L79-I202 HydrophobicContact CD1-CG1 3.7Å; M81-I202 HydrophobicContact CE-CG2 4.42Å; M81-I202 HydrophobicContact SD-CG2 3.95Å; S88-I202 WeakPolarHBondContact OG-CD1 3.35Å; A114-I202 HydrophobicContact CB-CD1 4.15Å; I202-S204 VanDerWaalsContact C-N 3.25Å; I202-S204 PolarHBondContact O-N 3.06Å; I202-Y207 HydrophobicContact CG2-CD2 3.66Å; I202-Y207 HydrophobicContact CG2-CE2 3.67Å
203G98.7Very high98.4Very high4 Ų429.6 Ų29.64%0.04116%0.163CC..THydrogen-bonded Turntrans85.7-9.1-178.600000114.1C201 G206 T228 A230 R231C201-G203 PolarHBondContact O-N 3.21Å; G203-G206 PolarHBondContact N-O 3.42Å; G203-T228 CarbonylContact O-C 3.57Å; G203-T228 WeakPolarHBondContact O-CA 3.46Å; G203-T228 VanDerWaalsContact O-O 3.04Å; G203-A230 PolarHBondContact O-N 3.48Å; G203-R231 PolarHBondContact O-N 3.32Å
204S98.8Very high98.5Very high8 Ų825.4 Ų25.46%0.05614%0.143CC..THydrogen-bonded Turntrans-103.9-73.3171.5-58.70000110.3C201 I202 T217 I224 A230C201-S204 WeakPolarHBondContact O-CA 3.45Å; C201-S204 WeakPolarHBondContact O-CB 3.46Å; C201-S204 PolarHBondContact O-N 2.76Å; I202-S204 VanDerWaalsContact C-N 3.25Å; I202-S204 PolarHBondContact O-N 3.06Å; S204-T217 WeakPolarHBondContact O-CG2 3.48Å; S204-T217 PolarHBondContact O-OG1 2.75Å; S204-T217 VanDerWaalsContact O-OG1 3.12Å; S204-I224 WeakPolarHBondContact O-CG2 3.47Å; S204-A230 WeakPolarHBondContact O-CB 3.48Å; S204-A230 PolarHBondContact O-N 2.97Å
205G98.4Very high98.6Very high0 Ų023.5 Ų23.50%012%0.123CC..THydrogen-bonded Turntrans-65.4-41.8-178.300000113T183 D198 C201 T217T183-G205 PolarHBondContact OG1-O 3.19Å; D198-G205 VanDerWaalsContact O-CA 3.26Å; D198-G205 WeakPolarHBondContact O-CA 3.46Å; D198-G205 PolarHBondContact O-N 2.82Å; D198-G205 WeakPolarHBondContact OD2-CA 3.33Å; C201-G205 PolarHBondContact O-N 3.43Å; C201-G205 VanDerWaalsContact O-N 3.13Å; G205-T217 WeakPolarHBondContact CA-OG1 3.49Å; G205-T217 PolarHBondContact O-N 2.89Å; G205-T217 PolarHBondContact O-OG1 3.14Å
206G98.8Very high98.7Very high0 Ų021.7 Ų21.70%012%0.117CC..EExtended strand (participates in β ladder)trans-158.2163173.900000112.6G203 V215G203-G206 PolarHBondContact N-O 3.42Å; G206-V215 CarbonylContact C-O 3.56Å; G206-V215 WeakPolarHBondContact CA-O 3.39Å
207Y98.9Very high98.7Very high42 Ų4219.3 Ų19.317%0.16510%0.102CC..EExtended strand (participates in β ladder)trans-156.8145.4173.4-157.1-94.7000109.9M81 C181 I202 D209 A214 V215 L234M81-Y207 HydrophobicContact CE-CD1 4.44Å; M81-Y207 HydrophobicContact CE-CD2 4.06Å; M81-Y207 HydrophobicContact CE-CE1 4.19Å; M81-Y207 HydrophobicContact CE-CE2 3.76Å; M81-Y207 HydrophobicContact CE-CG 4.43Å; M81-Y207 HydrophobicContact SD-CD1 4.48Å; M81-Y207 HydrophobicContact SD-CD2 3.76Å; M81-Y207 HydrophobicContact SD-CE2 4.07Å; M81-Y207 HydrophobicContact SD-CG 4.02Å; C181-Y207 PolarHBondContact SG-N 3.38Å; C181-Y207 VanDerWaalsContact SG-N 3.44Å; I202-Y207 HydrophobicContact CG2-CD2 3.66Å; I202-Y207 HydrophobicContact CG2-CE2 3.67Å; Y207-D209 HydrophobicContact CE1-CB 4.18Å; Y207-A214 CarbonylContact O-C 3.58Å; Y207-A214 VanDerWaalsContact O-CA 3.26Å; Y207-A214 WeakPolarHBondContact O-CA 3.45Å; Y207-V215 PolarHBondContact N-O 2.84Å; Y207-V215 PolarHBondContact O-N 3.05Å; Y207-L234 HydrophobicContact CD1-CD1 3.48Å; Y207-L234 VanDerWaalsContact CD1-CD1 3.48Å; Y207-L234 HydrophobicContact CE1-CD1 4.43Å; Y207-L234 HydrophobicContact CG-CD1 4.16Å
208A98.9Very high98.7Very high0 Ų019.3 Ų19.30%010%0.102CC..EExtended strand (participates in β ladder)trans-139.5134.5176.200000110.4M81 L86 V179 C181 G213 A214M81-A208 HydrophobicContact CB-CB 4.26Å; M81-A208 WeakPolarHBondContact CE-O 3.33Å; M81-A208 HydrophobicContact CG-CB 4.2Å; M81-A208 PolarHBondContact SD-N 3.42Å; M81-A208 VanDerWaalsContact SD-N 3.45Å; L86-A208 WeakPolarHBondContact CD2-O 3.47Å; V179-A208 HydrophobicContact CG2-CB 4.31Å; C181-A208 HydrophobicContact CB-CB 4.48Å; A208-G213 CarbonylContact C-O 3.45Å; A208-G213 WeakPolarHBondContact CA-O 3.44Å; A208-A214 HydrophobicContact CB-CB 3.89Å
209D98.8Very high98.6Very high27 Ų2719.4 Ų19.414%0.14410%0.104CC..EExtended strand (participates in β ladder)trans-152.5122.9176180-9.2000109L86 V179 Y207 M211 S212 G213L86-D209 HydrophobicContact CD2-CB 3.88Å; V179-D209 WeakPolarHBondContact CG2-O 3.1Å; Y207-D209 HydrophobicContact CE1-CB 4.18Å; D209-M211 PolarHBondContact O-N 3.47Å; D209-M211 WeakPolarHBondContact OD1-CB 3.49Å; D209-M211 PolarHBondContact OD1-N 2.92Å; D209-S212 PolarHBondContact O-N 3.21Å; D209-G213 PolarHBondContact N-O 2.88Å; D209-G213 PolarHBondContact O-N 3.28Å
210N98.8Very high98.3Very high29 Ų2921.9 Ų21.916%0.15512%0.116CC..THydrogen-bonded Turntrans-60.6-15.2178.7-80.313.1000113.4G83 K84 N178 V179 P269G83-N210 PolarHBondContact O-N 3.36Å; K84-N210 WeakPolarHBondContact CA-ND2 3.34Å; K84-N210 PolarHBondContact N-OD1 3.45Å; N178-N210 WeakPolarHBondContact CA-OD1 3.23Å; N178-N210 PolarHBondContact OD1-ND2 2.94Å; V179-N210 PolarHBondContact N-OD1 2.91Å; N210-P269 WeakPolarHBondContact O-CG 3.41Å
211M98.3Very high98.2Very high162 Ų16221.6 Ų21.680%0.79811%0.114SC*.THydrogen-bonded Turntrans-83.2-19.4175.8-59.3-6882.600113.7D209D209-M211 PolarHBondContact O-N 3.47Å; D209-M211 WeakPolarHBondContact OD1-CB 3.49Å; D209-M211 PolarHBondContact OD1-N 2.92Å
212S97.9Very high98.1Very high9 Ų921.9 Ų21.96%0.06311%0.111CC..THydrogen-bonded Turntrans-131.2-52.3-17657.20000113.1D209 M237D209-S212 PolarHBondContact O-N 3.21Å; S212-M237 VanDerWaalsContact O-CE 3.31Å; S212-M237 WeakPolarHBondContact O-CE 3.31Å
213G98.7Very high98Very high0 Ų018.6 Ų18.60%09%0.094CC..EExtended strand (participates in β ladder)trans153.9-167.8-179.500000113A208 D209 L234 V267A208-G213 CarbonylContact C-O 3.45Å; A208-G213 WeakPolarHBondContact CA-O 3.44Å; D209-G213 PolarHBondContact N-O 2.88Å; D209-G213 PolarHBondContact O-N 3.28Å; G213-L234 WeakPolarHBondContact O-CD1 3.29Å; G213-V267 CarbonylContact C-O 3.56Å; G213-V267 WeakPolarHBondContact CA-O 3.39Å
214A98.9Very high98Very high0 Ų018.4 Ų18.40%09%0.092CC..EExtended strand (participates in β ladder)trans-127.1142.1173.800000111.6V171 V179 A180 C181 Y207 A208 T266 V267V171-A214 HydrophobicContact CB-CB 4.06Å; V171-A214 HydrophobicContact CG1-CB 4.03Å; V179-A214 HydrophobicContact CB-CB 3.9Å; V179-A214 HydrophobicContact CG2-CB 4.11Å; A180-A214 WeakPolarHBondContact O-CB 3.41Å; C181-A214 HydrophobicContact CB-CB 4.34Å; Y207-A214 CarbonylContact O-C 3.58Å; Y207-A214 VanDerWaalsContact O-CA 3.26Å; Y207-A214 WeakPolarHBondContact O-CA 3.45Å; A208-A214 HydrophobicContact CB-CB 3.89Å; A214-T266 CarbonylContact O-C 3.52Å; A214-T266 VanDerWaalsContact O-CA 3.31Å; A214-T266 WeakPolarHBondContact O-CA 3.37Å; A214-V267 HydrophobicContact CB-CG1 4.13Å; A214-V267 PolarHBondContact N-O 3.12Å; A214-V267 PolarHBondContact O-N 3.44Å
215V98.9Very high98Very high0 Ų020.8 Ų20.80%010%0.103CC..EExtended strand (participates in β ladder)trans-132.2138.2178.7179.70000109.6V171 G206 Y207 T217 A230 I233 L234 V264 V265 T266V171-V215 VanDerWaalsContact CG1-C 3.5Å; G206-V215 CarbonylContact C-O 3.56Å; G206-V215 WeakPolarHBondContact CA-O 3.39Å; Y207-V215 PolarHBondContact N-O 2.84Å; Y207-V215 PolarHBondContact O-N 3.05Å; V215-T217 HydrophobicContact CG1-CG2 3.88Å; V215-A230 HydrophobicContact CB-CB 4.06Å; V215-A230 HydrophobicContact CG1-CB 3.96Å; V215-I233 HydrophobicContact CG1-CD1 4.21Å; V215-I233 HydrophobicContact CG2-CB 4.21Å; V215-I233 HydrophobicContact CG2-CG2 3.82Å; V215-L234 HydrophobicContact CG2-CD1 4.48Å; V215-L234 HydrophobicContact CG2-CD2 3.71Å; V215-L234 HydrophobicContact CG2-CG 3.81Å; V215-V264 HydrophobicContact CG1-CB 4.31Å; V215-V264 HydrophobicContact CG1-CG1 4.49Å; V215-V265 WeakPolarHBondContact CA-O 3.46Å; V215-T266 HydrophobicContact CG2-CG2 3.79Å
216S98.9Very high98Very high0 Ų028 Ų280%014%0.135CC..EExtended strand (participates in β ladder)trans-124.9138.4163.1177.70000109.4H8 G169 T183 V264 V265H8-S216 PolarHBondContact NE2-OG 3.06Å; G169-S216 WeakPolarHBondContact CA-OG 3.07Å; T183-S216 PolarHBondContact OG1-OG 3.01Å; S216-V264 VanDerWaalsContact O-CA 3.31Å; S216-V264 WeakPolarHBondContact O-CA 3.31Å; S216-V265 PolarHBondContact N-O 3.2Å; S216-V265 PolarHBondContact O-N 3.49Å
217T98.8Very high98Very high0 Ų028.6 Ų28.60%014%0.138CC..EExtended strand (participates in β ladder)trans-118.8159.8-17276.30000112.5H8 S204 G205 V215 L229 A230 V264H8-T217 PolarHBondContact CE1-O 3.22Å; S204-T217 WeakPolarHBondContact O-CG2 3.48Å; S204-T217 PolarHBondContact O-OG1 2.75Å; S204-T217 VanDerWaalsContact O-OG1 3.12Å; G205-T217 WeakPolarHBondContact CA-OG1 3.49Å; G205-T217 PolarHBondContact O-N 2.89Å; G205-T217 PolarHBondContact O-OG1 3.14Å; V215-T217 HydrophobicContact CG1-CG2 3.88Å; T217-L229 HydrophobicContact CG2-CB 4.31Å; T217-L229 HydrophobicContact CG2-CD2 4.08Å; T217-L229 HydrophobicContact CG2-CG 4.16Å; T217-A230 HydrophobicContact CG2-CB 3.91Å; T217-V264 HydrophobicContact CG2-CG1 3.81Å
218T98.4Very high98Very high0 Ų030.1 Ų30.10%015%0.152CC..EExtended strand (participates in β ladder)trans-151.1147.2174.3169.40000110.1H8 G10 A11 T167 G262 G263 M282H8-T218 WeakPolarHBondContact ND1-CG2 3.47Å; G10-T218 WeakPolarHBondContact CA-OG1 3.49Å; A11-T218 HydrophobicContact CB-CG2 3.55Å; A11-T218 PolarHBondContact N-OG1 3.43Å; T167-T218 PolarHBondContact N-OG1 3.45Å; T218-G262 CarbonylContact O-C 3.58Å; T218-G262 WeakPolarHBondContact O-CA 3.22Å; T218-G263 WeakPolarHBondContact CG2-O 3.42Å; T218-G263 PolarHBondContact N-O 2.76Å; T218-G263 PolarHBondContact O-N 2.73Å; T218-M282 HydrophobicContact CG2-CG 4.47Å; T218-M282 HydrophobicContact CG2-SD 3.87Å
219G95.6Very high98Very high6 Ų630.1 Ų30.16%0.06215%0.152CC..EExtended strand (participates in β ladder)trans144.2-141174.100000112.6M165 G221M165-G219 WeakPolarHBondContact CG-O 3.45Å; G219-G221 PolarHBondContact O-N 3.24Å; G219-G221 VanDerWaalsContact O-N 3.13Å
220H94.1Very high98Very high53 Ų5328.9 Ų28.925%0.24515%0.145CC..  trans-74.898.5176-173.4-170.1000111M165 E222 A223 I224 L261M165-H220 HydrophobicContact CE-CB 3.6Å; H220-E222 VanDerWaalsContact C-N 3.32Å; H220-E222 IonicContact CD2-OE2 3.27Å; H220-E222 PolarHBondContact CD2-OE2 3.13Å; H220-E222 VanDerWaalsContact CD2-OE2 3.27Å; H220-E222 IonicContact NE2-OE2 3.41Å; H220-E222 PolarHBondContact NE2-OE2 3.42Å; H220-E222 PolarHBondContact O-N 2.89Å; H220-A223 HydrophobicContact CB-CB 4.06Å; H220-A223 WeakPolarHBondContact O-CA 3.38Å; H220-A223 WeakPolarHBondContact O-CB 3.47Å; H220-A223 PolarHBondContact O-N 3.41Å; H220-I224 WeakPolarHBondContact O-CG1 3.45Å; H220-I224 PolarHBondContact O-N 3.19Å; H220-L261 PolarHBondContact N-O 3.13Å
221G95.7Very high98Very high1 Ų130.8 Ų30.81%0.0115%0.15CC..Hα-helixtrans-54.4-40.6-172.700000115.2D198 G219 A223 I224 M225D198-G221 WeakPolarHBondContact OD1-CA 3.35Å; G219-G221 PolarHBondContact O-N 3.24Å; G219-G221 VanDerWaalsContact O-N 3.13Å; G221-A223 VanDerWaalsContact C-N 3.28Å; G221-A223 PolarHBondContact O-N 3.19Å; G221-I224 PolarHBondContact O-N 3.42Å; G221-M225 WeakPolarHBondContact O-CG 3.49Å; G221-M225 PolarHBondContact O-N 3.4Å
222E96.6Very high98Very high49 Ų4924.9 Ų24.923%0.22912%0.121CC..Hα-helixtrans-63.4-34.4176.6-70.770.9-162.600112.4R195 H220 M225 K226R195-E222 IonicContact CZ-OE1 3.22Å; R195-E222 VanDerWaalsContact CZ-OE1 3.22Å; R195-E222 IonicContact CZ-OE2 3.87Å; R195-E222 IonicContact NE-OE1 2.82Å; R195-E222 PolarHBondContact NE-OE1 3.49Å; R195-E222 IonicContact NH2-OE1 2.84Å; R195-E222 PolarHBondContact NH2-OE1 3.16Å; R195-E222 IonicContact NH2-OE2 2.79Å; R195-E222 PolarHBondContact NH2-OE2 3.02Å; H220-E222 VanDerWaalsContact C-N 3.32Å; H220-E222 IonicContact CD2-OE2 3.27Å; H220-E222 PolarHBondContact CD2-OE2 3.13Å; H220-E222 VanDerWaalsContact CD2-OE2 3.27Å; H220-E222 IonicContact NE2-OE2 3.41Å; H220-E222 PolarHBondContact NE2-OE2 3.42Å; H220-E222 PolarHBondContact O-N 2.89Å; E222-M225 HydrophobicContact CG-CE 4.37Å; E222-K226 WeakPolarHBondContact O-CD 3.47Å; E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 2.9Å
223A97.1Very high98.1Very high1 Ų124.5 Ų24.51%0.00812%0.118CC..Hα-helixtrans-73.7-41.4175.300000111.6H220 G221 M225 K226 V227 M254 V258H220-A223 HydrophobicContact CB-CB 4.06Å; H220-A223 WeakPolarHBondContact O-CA 3.38Å; H220-A223 WeakPolarHBondContact O-CB 3.47Å; H220-A223 PolarHBondContact O-N 3.41Å; G221-A223 VanDerWaalsContact C-N 3.28Å; G221-A223 PolarHBondContact O-N 3.19Å; A223-M225 PolarHBondContact O-N 3.38Å; A223-K226 PolarHBondContact O-N 2.91Å; A223-V227 WeakPolarHBondContact O-CG2 3.01Å; A223-V227 PolarHBondContact O-N 2.99Å; A223-M254 HydrophobicContact CB-CG 4.07Å; A223-M254 HydrophobicContact CB-SD 4.03Å; A223-V258 HydrophobicContact CB-CG2 3.77Å
224I98.6Very high98.1Very high0 Ų024.5 Ų24.50%012%0.118CC..Hα-helixtrans-58.9-46.6176.7-68.5168.4000110.4D198 S204 H220 G221 V227 T228 L229 M254D198-I224 HydrophobicContact CB-CB 3.82Å; D198-I224 HydrophobicContact CB-CG2 3.48Å; D198-I224 VanDerWaalsContact CB-CG2 3.48Å; S204-I224 WeakPolarHBondContact O-CG2 3.47Å; H220-I224 WeakPolarHBondContact O-CG1 3.45Å; H220-I224 PolarHBondContact O-N 3.19Å; G221-I224 PolarHBondContact O-N 3.42Å; I224-V227 PolarHBondContact O-N 2.71Å; I224-T228 PolarHBondContact O-N 3.34Å; I224-L229 HydrophobicContact CG1-CD2 4.12Å; I224-L229 HydrophobicContact CG2-CB 3.89Å; I224-L229 PolarHBondContact O-N 3.28Å; I224-M254 HydrophobicContact CG1-SD 3.75Å
225M98.6Very high98.1Very high58 Ų5829.2 Ų29.229%0.28614%0.138SC..Hα-helixtrans-63.5-44.3178-70.9-172.4-61.800112.7G197 D198 G221 E222 A223 V227 T228G197-M225 VanDerWaalsContact O-SD 3.41Å; D198-M225 HydrophobicContact CB-CG 3.84Å; G221-M225 WeakPolarHBondContact O-CG 3.49Å; G221-M225 PolarHBondContact O-N 3.4Å; E222-M225 HydrophobicContact CG-CE 4.37Å; A223-M225 PolarHBondContact O-N 3.38Å; M225-V227 PolarHBondContact O-N 2.83Å; M225-V227 VanDerWaalsContact O-N 3.13Å; M225-T228 PolarHBondContact O-N 3.23Å; M225-T228 VanDerWaalsContact O-N 3.16Å
226K98.8Very high98.1Very high152 Ų15231.1 Ų31.166%0.66115%0.147SC*.Hα-helixtrans-59.3-26.9-178.6-77.8168.4-168.6175.20113.6E222 A223 V258E222-K226 WeakPolarHBondContact O-CD 3.47Å; E222-K226 WeakPolarHBondContact O-CG 3.45Å; E222-K226 PolarHBondContact O-N 2.9Å; A223-K226 PolarHBondContact O-N 2.91Å; K226-V258 HydrophobicContact CB-CG1 4.22Å; K226-V258 HydrophobicContact CD-CG1 4.16Å
227V98.7Very high98.1Very high12 Ų1232.1 Ų32.17%0.07315%0.152CC..THydrogen-bonded Turntrans-112.75-179.2-53.80000113.3A223 I224 M225 L229 M254 V258A223-V227 WeakPolarHBondContact O-CG2 3.01Å; A223-V227 PolarHBondContact O-N 2.99Å; I224-V227 PolarHBondContact O-N 2.71Å; M225-V227 PolarHBondContact O-N 2.83Å; M225-V227 VanDerWaalsContact O-N 3.13Å; V227-L229 VanDerWaalsContact C-N 3.3Å; V227-L229 HydrophobicContact CG2-CB 4.08Å; V227-L229 HydrophobicContact CG2-CD1 4.4Å; V227-L229 PolarHBondContact O-N 2.89Å; V227-M254 HydrophobicContact CG2-CB 4Å; V227-M254 HydrophobicContact CG2-CG 4.02Å; V227-V258 HydrophobicContact CG1-CG1 4.29Å; V227-V258 HydrophobicContact CG1-CG2 3.99Å
228T98.8Very high98.1Very high74 Ų7435.6 Ų35.645%0.45417%0.168SC..THydrogen-bonded Turntrans44.455.4-177.154.30000111.8G203 I224 M225 A230 R231 H232G203-T228 CarbonylContact O-C 3.57Å; G203-T228 WeakPolarHBondContact O-CA 3.46Å; G203-T228 VanDerWaalsContact O-O 3.04Å; I224-T228 PolarHBondContact O-N 3.34Å; M225-T228 PolarHBondContact O-N 3.23Å; M225-T228 VanDerWaalsContact O-N 3.16Å; T228-A230 PolarHBondContact O-N 2.99Å; T228-R231 PolarHBondContact O-N 3.36Å; T228-H232 WeakPolarHBondContact O-CB 3.48Å; T228-H232 PolarHBondContact O-N 2.71Å
229L98.9Very high98.1Very high0 Ų041.8 Ų41.80%020%0.197CC..Hα-helixtrans-54.7-46.7-160.6-176.860.4000113.8T217 I224 V227 H232 I233 G250 L251 M254 V264T217-L229 HydrophobicContact CG2-CB 4.31Å; T217-L229 HydrophobicContact CG2-CD2 4.08Å; T217-L229 HydrophobicContact CG2-CG 4.16Å; I224-L229 HydrophobicContact CG1-CD2 4.12Å; I224-L229 HydrophobicContact CG2-CB 3.89Å; I224-L229 PolarHBondContact O-N 3.28Å; V227-L229 VanDerWaalsContact C-N 3.3Å; V227-L229 HydrophobicContact CG2-CB 4.08Å; V227-L229 HydrophobicContact CG2-CD1 4.4Å; V227-L229 PolarHBondContact O-N 2.89Å; L229-H232 PolarHBondContact O-N 2.99Å; L229-I233 HydrophobicContact CD1-CD1 3.93Å; L229-I233 HydrophobicContact CD1-CG1 4.25Å; L229-I233 HydrophobicContact CG-CD1 3.95Å; L229-I233 WeakPolarHBondContact O-CG1 3.36Å; L229-I233 PolarHBondContact O-N 3.44Å; L229-G250 WeakPolarHBondContact CD1-O 3.34Å; L229-L251 HydrophobicContact CD2-CD2 4.24Å; L229-M254 HydrophobicContact CD2-CE 4.21Å; L229-M254 HydrophobicContact CD2-SD 4.08Å; L229-V264 HydrophobicContact CD2-CG1 3.86Å; L229-V264 HydrophobicContact CG-CG1 4.32Å
230A98.9Very high98.2Very high0 Ų044.7 Ų44.70%023%0.227CC..Hα-helixtrans-60.1-50.3-178.400000111.8G203 S204 V215 T217 T228 H232 I233 L234G203-A230 PolarHBondContact O-N 3.48Å; S204-A230 WeakPolarHBondContact O-CB 3.48Å; S204-A230 PolarHBondContact O-N 2.97Å; V215-A230 HydrophobicContact CB-CB 4.06Å; V215-A230 HydrophobicContact CG1-CB 3.96Å; T217-A230 HydrophobicContact CG2-CB 3.91Å; T228-A230 PolarHBondContact O-N 2.99Å; A230-H232 VanDerWaalsContact C-N 3.32Å; A230-H232 PolarHBondContact O-N 2.81Å; A230-I233 PolarHBondContact O-N 3.44Å; A230-L234 PolarHBondContact O-N 3.4Å
231R98.9Very high98.4Very high69 Ų6946.2 Ų46.226%0.2623%0.234SC..Hα-helixtrans-68.1-34.4179.6-17959.8-17294-10.6112.1G203 T228 L234 F235 E238G203-R231 PolarHBondContact O-N 3.32Å; T228-R231 PolarHBondContact O-N 3.36Å; R231-L234 PolarHBondContact O-N 2.74Å; R231-F235 VanDerWaalsContact NH1-CA 3.33Å; R231-F235 VanDerWaalsContact NH1-N 3.12Å; R231-F235 PolarHBondContact O-N 2.62Å; R231-E238 IonicContact CZ-OE1 3.76Å; R231-E238 IonicContact CZ-OE2 3.63Å; R231-E238 IonicContact NH1-OE1 3.21Å; R231-E238 PolarHBondContact NH1-OE1 2.78Å; R231-E238 VanDerWaalsContact NH1-OE1 3.1Å; R231-E238 IonicContact NH1-OE2 2.92Å; R231-E238 PolarHBondContact NH1-OE2 2.86Å; R231-E238 VanDerWaalsContact NH1-OE2 3.14Å; R231-E238 VanDerWaalsContact NH2-CD 3.27Å; R231-E238 IonicContact NH2-OE1 2.73Å; R231-E238 PolarHBondContact NH2-OE1 2.68Å; R231-E238 IonicContact NH2-OE2 2.76Å; R231-E238 PolarHBondContact NH2-OE2 3.16Å
232H98.8Very high98.5Very high39 Ų3949.6 Ų49.618%0.18126%0.258CS..Hα-helixtrans-65.8-37.6178-172.9-164.1000112.2T228 L229 A230 F235 H236 H253T228-H232 WeakPolarHBondContact O-CB 3.48Å; T228-H232 PolarHBondContact O-N 2.71Å; L229-H232 PolarHBondContact O-N 2.99Å; A230-H232 VanDerWaalsContact C-N 3.32Å; A230-H232 PolarHBondContact O-N 2.81Å; H232-F235 WeakPolarHBondContact O-CB 3.46Å; H232-F235 PolarHBondContact O-N 3Å; H232-H236 AromaticContact CD2-NE2 3.81Å; H232-H236 AromaticContact NE2-NE2 3.4Å; H232-H236 PolarHBondContact NE2-NE2 3.02Å; H232-H236 PolarHBondContact O-CD2 2.84Å; H232-H236 PolarHBondContact O-N 2.98Å; H232-H253 AromaticContact CE1-CD2 3.52Å; H232-H253 AromaticContact CE1-CG 3.6Å; H232-H253 AromaticContact CE1-NE2 3.99Å; H232-H253 AromaticContact ND1-CD2 3.89Å
233I98.9Very high98.6Very high0 Ų047.4 Ų47.40%025%0.248CC..Hα-helixtrans-63.6-48172.9-71.6165.8000110.4V215 L229 A230 F235 H236 M237 A246 V264 T266V215-I233 HydrophobicContact CG1-CD1 4.21Å; V215-I233 HydrophobicContact CG2-CB 4.21Å; V215-I233 HydrophobicContact CG2-CG2 3.82Å; L229-I233 HydrophobicContact CD1-CD1 3.93Å; L229-I233 HydrophobicContact CD1-CG1 4.25Å; L229-I233 HydrophobicContact CG-CD1 3.95Å; L229-I233 WeakPolarHBondContact O-CG1 3.36Å; L229-I233 PolarHBondContact O-N 3.44Å; A230-I233 PolarHBondContact O-N 3.44Å; I233-F235 PolarHBondContact O-N 2.88Å; I233-H236 WeakPolarHBondContact O-CB 3.45Å; I233-H236 PolarHBondContact O-N 3.25Å; I233-M237 HydrophobicContact CG2-SD 4.43Å; I233-M237 PolarHBondContact O-N 2.76Å; I233-M237 VanDerWaalsContact O-N 3.13Å; I233-A246 HydrophobicContact CG2-CB 4.03Å; I233-V264 HydrophobicContact CD1-CB 4.15Å; I233-V264 HydrophobicContact CD1-CG1 3.66Å; I233-V264 HydrophobicContact CD1-CG2 3.96Å; I233-T266 HydrophobicContact CG2-CG2 4.32Å
234L98.9Very high98.7Very high0 Ų052 Ų520%027%0.27CS..Hα-helixtrans-62.5-31.4177.2-66.2179.9000112.4Y207 G213 V215 A230 R231 H236 M237 E238Y207-L234 HydrophobicContact CD1-CD1 3.48Å; Y207-L234 VanDerWaalsContact CD1-CD1 3.48Å; Y207-L234 HydrophobicContact CE1-CD1 4.43Å; Y207-L234 HydrophobicContact CG-CD1 4.16Å; G213-L234 WeakPolarHBondContact O-CD1 3.29Å; V215-L234 HydrophobicContact CG2-CD1 4.48Å; V215-L234 HydrophobicContact CG2-CD2 3.71Å; V215-L234 HydrophobicContact CG2-CG 3.81Å; A230-L234 PolarHBondContact O-N 3.4Å; R231-L234 PolarHBondContact O-N 2.74Å; L234-H236 VanDerWaalsContact C-N 3.32Å; L234-H236 PolarHBondContact O-N 2.87Å; L234-M237 HydrophobicContact CD2-CE 4.43Å; L234-M237 HydrophobicContact CD2-SD 3.67Å; L234-M237 WeakPolarHBondContact O-CB 3.12Å; L234-M237 PolarHBondContact O-N 2.8Å; L234-M237 VanDerWaalsContact O-N 3.11Å; L234-E238 WeakPolarHBondContact O-CG 3.45Å; L234-E238 PolarHBondContact O-N 3.35Å
235F98.9Very high98.7Very high99 Ų9953.4 Ų53.443%0.43428%0.281SS..Hα-helixtrans-60.9-41172.4-173.6-97.3000111.7R231 H232 I233 M237 E238 Q239R231-F235 VanDerWaalsContact NH1-CA 3.33Å; R231-F235 VanDerWaalsContact NH1-N 3.12Å; R231-F235 PolarHBondContact O-N 2.62Å; H232-F235 WeakPolarHBondContact O-CB 3.46Å; H232-F235 PolarHBondContact O-N 3Å; I233-F235 PolarHBondContact O-N 2.88Å; F235-M237 VanDerWaalsContact C-N 3.32Å; F235-M237 PolarHBondContact O-N 2.95Å; F235-E238 WeakPolarHBondContact O-CB 3.3Å; F235-E238 PolarHBondContact O-N 3.43Å; F235-Q239 HydrophobicContact CD1-CG 4.49Å; F235-Q239 HydrophobicContact CE1-CG 4.2Å; F235-Q239 VanDerWaalsContact O-CG 3.32Å; F235-Q239 WeakPolarHBondContact O-CG 3.32Å; F235-Q239 PolarHBondContact O-N 3.01Å
236H98.8Very high98.7Very high41 Ų4150.7 Ų50.719%0.1927%0.267CS..Hα-helixtrans-65.6-35.8173.6-74.2-57.3000112.7H232 I233 L234 Q239 Q241 A246H232-H236 AromaticContact CD2-NE2 3.81Å; H232-H236 AromaticContact NE2-NE2 3.4Å; H232-H236 PolarHBondContact NE2-NE2 3.02Å; H232-H236 PolarHBondContact O-CD2 2.84Å; H232-H236 PolarHBondContact O-N 2.98Å; I233-H236 WeakPolarHBondContact O-CB 3.45Å; I233-H236 PolarHBondContact O-N 3.25Å; L234-H236 VanDerWaalsContact C-N 3.32Å; L234-H236 PolarHBondContact O-N 2.87Å; H236-Q239 CarbonylContact O-C 3.54Å; H236-Q239 PolarHBondContact O-N 2.93Å; H236-Q239 VanDerWaalsContact O-N 3.17Å; H236-Q241 HydrophobicContact CB-CB 4.27Å; H236-Q241 HydrophobicContact CB-CG 4.13Å; H236-Q241 VanDerWaalsContact O-CB 3.25Å; H236-Q241 WeakPolarHBondContact O-CB 3.16Å; H236-Q241 VanDerWaalsContact O-CG 3.31Å; H236-Q241 WeakPolarHBondContact O-CG 3.38Å; H236-Q241 PolarHBondContact O-N 3.29Å; H236-Q241 VanDerWaalsContact O-N 3.11Å; H236-A246 HydrophobicContact CB-CB 3.68Å
237M98.8Very high98.7Very high20 Ų2043.4 Ų43.410%0.09924%0.236CC..Hα-helixtrans-65.8-40.5175.5-64.9175.261.600112S212 I233 L234 F235 Q239 G240 Q241 A243 A246 T266 D268S212-M237 VanDerWaalsContact O-CE 3.31Å; S212-M237 WeakPolarHBondContact O-CE 3.31Å; I233-M237 HydrophobicContact CG2-SD 4.43Å; I233-M237 PolarHBondContact O-N 2.76Å; I233-M237 VanDerWaalsContact O-N 3.13Å; L234-M237 HydrophobicContact CD2-CE 4.43Å; L234-M237 HydrophobicContact CD2-SD 3.67Å; L234-M237 WeakPolarHBondContact O-CB 3.12Å; L234-M237 PolarHBondContact O-N 2.8Å; L234-M237 VanDerWaalsContact O-N 3.11Å; F235-M237 VanDerWaalsContact C-N 3.32Å; F235-M237 PolarHBondContact O-N 2.95Å; M237-Q239 PolarHBondContact O-N 3.36Å; M237-G240 WeakPolarHBondContact O-CA 3.21Å; M237-G240 PolarHBondContact O-N 3.24Å; M237-Q241 WeakPolarHBondContact CA-O 3.34Å; M237-A243 HydrophobicContact CE-CB 4.29Å; M237-A246 HydrophobicContact CG-CB 3.47Å; M237-A246 VanDerWaalsContact CG-CB 3.47Å; M237-A246 HydrophobicContact SD-CB 4.44Å; M237-T266 HydrophobicContact CE-CG2 4.24Å; M237-T266 HydrophobicContact SD-CG2 3.55Å; M237-T266 VanDerWaalsContact SD-CG2 3.55Å; M237-D268 HydrophobicContact CE-CB 3.69Å
238E98.6Very high98.7Very high73 Ų7345.6 Ų45.634%0.34125%0.247SC..Hα-helixtrans-57.4-30.6172-70.5158.5-168.800112R231 L234 F235 G240R231-E238 IonicContact CZ-OE1 3.76Å; R231-E238 IonicContact CZ-OE2 3.63Å; R231-E238 IonicContact NH1-OE1 3.21Å; R231-E238 PolarHBondContact NH1-OE1 2.78Å; R231-E238 VanDerWaalsContact NH1-OE1 3.1Å; R231-E238 IonicContact NH1-OE2 2.92Å; R231-E238 PolarHBondContact NH1-OE2 2.86Å; R231-E238 VanDerWaalsContact NH1-OE2 3.14Å; R231-E238 VanDerWaalsContact NH2-CD 3.27Å; R231-E238 IonicContact NH2-OE1 2.73Å; R231-E238 PolarHBondContact NH2-OE1 2.68Å; R231-E238 IonicContact NH2-OE2 2.76Å; R231-E238 PolarHBondContact NH2-OE2 3.16Å; L234-E238 WeakPolarHBondContact O-CG 3.45Å; L234-E238 PolarHBondContact O-N 3.35Å; F235-E238 WeakPolarHBondContact O-CB 3.3Å; F235-E238 PolarHBondContact O-N 3.43Å; E238-G240 PolarHBondContact O-N 3.32Å
239Q98.4Very high98.7Very high131 Ų13145.7 Ų45.761%0.61224%0.244SC*.THydrogen-bonded Turntrans-85.413175-58.4-59.6105.200113.7F235 H236 M237F235-Q239 HydrophobicContact CD1-CG 4.49Å; F235-Q239 HydrophobicContact CE1-CG 4.2Å; F235-Q239 VanDerWaalsContact O-CG 3.32Å; F235-Q239 WeakPolarHBondContact O-CG 3.32Å; F235-Q239 PolarHBondContact O-N 3.01Å; H236-Q239 CarbonylContact O-C 3.54Å; H236-Q239 PolarHBondContact O-N 2.93Å; H236-Q239 VanDerWaalsContact O-N 3.17Å; M237-Q239 PolarHBondContact O-N 3.36Å
240G97.9Very high98.7Very high66 Ų6645.7 Ų45.768%0.6824%0.244SC*.THydrogen-bonded Turntrans86.211.1174.500000115.3M237 E238M237-G240 WeakPolarHBondContact O-CA 3.21Å; M237-G240 PolarHBondContact O-N 3.24Å; E238-G240 PolarHBondContact O-N 3.32Å
241Q98.7Very high98.7Very high85 Ų8546 Ų4640%0.39725%0.246SC..  trans-74.9146.8171.7-58.7-58.1-55.300110.8H236 M237 A245 A246 L249H236-Q241 HydrophobicContact CB-CB 4.27Å; H236-Q241 HydrophobicContact CB-CG 4.13Å; H236-Q241 VanDerWaalsContact O-CB 3.25Å; H236-Q241 WeakPolarHBondContact O-CB 3.16Å; H236-Q241 VanDerWaalsContact O-CG 3.31Å; H236-Q241 WeakPolarHBondContact O-CG 3.38Å; H236-Q241 PolarHBondContact O-N 3.29Å; H236-Q241 VanDerWaalsContact O-N 3.11Å; M237-Q241 WeakPolarHBondContact CA-O 3.34Å; Q241-A245 HydrophobicContact CB-CB 4.35Å; Q241-A246 HydrophobicContact CB-CB 4.04Å; Q241-L249 HydrophobicContact CG-CD1 4.11Å
242S98.6Very high98.7Very high72 Ų7245.3 Ų45.350%0.50326%0.255SS..  trans-67.4160.4170.8680000111.2E244 A245 A246S242-E244 PolarHBondContact O-N 2.88Å; S242-A245 PolarHBondContact O-N 3.39Å; S242-A245 WeakPolarHBondContact OG-CB 3.37Å; S242-A245 PolarHBondContact OG-N 3.36Å; S242-A246 VanDerWaalsContact O-CB 3.23Å; S242-A246 WeakPolarHBondContact O-CB 3.41Å; S242-A246 PolarHBondContact O-N 3.24Å
243A98.4Very high98.7Very high4 Ų446.3 Ų46.33%0.03326%0.26CS..Hα-helixtrans-51.6-39.9174.500000112.5M237 S247 T266 A274M237-A243 HydrophobicContact CE-CB 4.29Å; A243-S247 VanDerWaalsContact O-CB 3.22Å; A243-S247 WeakPolarHBondContact O-CB 3.42Å; A243-S247 PolarHBondContact O-N 3.12Å; A243-S247 VanDerWaalsContact O-N 3.15Å; A243-S247 PolarHBondContact O-OG 3.2Å; A243-T266 HydrophobicContact CB-CG2 3.86Å; A243-A274 HydrophobicContact CB-CB 4.19Å
244E98.6Very high98.6Very high98 Ų9846.3 Ų46.346%0.45826%0.26SS..Hα-helixtrans-66.2-54.6175.9175.5164.2122.100112.2S242 A246 S247 D248 A274 R276S242-E244 PolarHBondContact O-N 2.88Å; E244-A246 PolarHBondContact O-N 3.3Å; E244-S247 PolarHBondContact O-N 3.02Å; E244-D248 PolarHBondContact O-N 2.82Å; E244-A274 HydrophobicContact CB-CB 4.06Å; E244-R276 IonicContact OE1-CZ 3.2Å; E244-R276 IonicContact OE1-NH1 3.1Å; E244-R276 PolarHBondContact OE1-NH1 2.69Å; E244-R276 IonicContact OE2-CZ 3.47Å; E244-R276 IonicContact OE2-NH1 3.14Å; E244-R276 PolarHBondContact OE2-NH1 3.44Å
245A98.8Very high98.6Very high29 Ų2952.2 Ų52.224%0.2429%0.286CS..Hα-helixtrans-63.9-40.9-176.300000112Q241 S242 D248 L249Q241-A245 HydrophobicContact CB-CB 4.35Å; S242-A245 PolarHBondContact O-N 3.39Å; S242-A245 WeakPolarHBondContact OG-CB 3.37Å; S242-A245 PolarHBondContact OG-N 3.36Å; A245-D248 PolarHBondContact O-N 3.25Å; A245-L249 VanDerWaalsContact O-CG 3.29Å; A245-L249 WeakPolarHBondContact O-CG 3.42Å; A245-L249 PolarHBondContact O-N 3.22Å
246A98.9Very high98.6Very high0 Ų051.7 Ų51.70%029%0.294CS..Hα-helixtrans-61.7-43.4175.400000112.1I233 H236 M237 Q241 S242 E244 L249 G250I233-A246 HydrophobicContact CG2-CB 4.03Å; H236-A246 HydrophobicContact CB-CB 3.68Å; M237-A246 HydrophobicContact CG-CB 3.47Å; M237-A246 VanDerWaalsContact CG-CB 3.47Å; M237-A246 HydrophobicContact SD-CB 4.44Å; Q241-A246 HydrophobicContact CB-CB 4.04Å; S242-A246 VanDerWaalsContact O-CB 3.23Å; S242-A246 WeakPolarHBondContact O-CB 3.41Å; S242-A246 PolarHBondContact O-N 3.24Å; E244-A246 PolarHBondContact O-N 3.3Å; A246-L249 PolarHBondContact O-N 2.62Å; A246-G250 PolarHBondContact O-N 3.28Å
247S98.8Very high98.5Very high0 Ų058 Ų580%032%0.316CS..Hα-helixtrans-63.3-43.3177.7-63.10000111.6A243 E244 G250 L251 T266A243-S247 VanDerWaalsContact O-CB 3.22Å; A243-S247 WeakPolarHBondContact O-CB 3.42Å; A243-S247 PolarHBondContact O-N 3.12Å; A243-S247 VanDerWaalsContact O-N 3.15Å; A243-S247 PolarHBondContact O-OG 3.2Å; E244-S247 PolarHBondContact O-N 3.02Å; S247-G250 PolarHBondContact O-N 2.84Å; S247-L251 WeakPolarHBondContact O-CB 3.27Å; S247-L251 VanDerWaalsContact O-CG 3.3Å; S247-L251 WeakPolarHBondContact O-CG 3.32Å; S247-L251 PolarHBondContact O-N 2.95Å; S247-T266 PolarHBondContact OG-OG1 2.99Å
248D98.8Very high98.5Very high58 Ų5859.6 Ų59.631%0.3133%0.327SS..Hα-helixtrans-63.4-43.8176.3-75.4-14000112.4E244 A245 L251 A252 R276E244-D248 PolarHBondContact O-N 2.82Å; A245-D248 PolarHBondContact O-N 3.25Å; D248-L251 PolarHBondContact O-N 3.18Å; D248-A252 WeakPolarHBondContact O-CB 3.44Å; D248-A252 PolarHBondContact O-N 3.36Å; D248-R276 VanDerWaalsContact CG-NH2 3.31Å; D248-R276 IonicContact OD1-CZ 3.38Å; D248-R276 IonicContact OD1-NE 2.76Å; D248-R276 PolarHBondContact OD1-NE 3.04Å; D248-R276 IonicContact OD1-NH2 3.16Å; D248-R276 PolarHBondContact OD1-NH2 3.21Å; D248-R276 VanDerWaalsContact OD1-NH2 3.16Å; D248-R276 IonicContact OD2-CZ 3.39Å; D248-R276 IonicContact OD2-NE 3.84Å; D248-R276 IonicContact OD2-NH2 2.68Å; D248-R276 PolarHBondContact OD2-NH2 2.97Å
249L98.8Very high98.3Very high75 Ų7559 Ų5939%0.39334%0.34SS..Hα-helixtrans-61.1-46176.6-73.7169.4000111.6Q241 A245 A246 A252 H253Q241-L249 HydrophobicContact CG-CD1 4.11Å; A245-L249 VanDerWaalsContact O-CG 3.29Å; A245-L249 WeakPolarHBondContact O-CG 3.42Å; A245-L249 PolarHBondContact O-N 3.22Å; A246-L249 PolarHBondContact O-N 2.62Å; L249-A252 PolarHBondContact O-N 2.92Å; L249-H253 WeakPolarHBondContact O-CB 3.3Å; L249-H253 PolarHBondContact O-N 3.42Å
250G98.8Very high98.1Very high0 Ų052.8 Ų52.80%031%0.311CS..Hα-helixtrans-60.9-46.8177.500000112.5L229 A246 S247 H253 M254L229-G250 WeakPolarHBondContact CD1-O 3.34Å; A246-G250 PolarHBondContact O-N 3.28Å; S247-G250 PolarHBondContact O-N 2.84Å; G250-H253 PolarHBondContact O-N 3.11Å; G250-M254 PolarHBondContact O-N 2.92Å
251L98.6Very high97.9Very high6 Ų653 Ų533%0.03130%0.297CS..Hα-helixtrans-65.6-40.9177.8-71.7169.4000112.4L229 S247 D248 H253 M254 K255 V264 R276L229-L251 HydrophobicContact CD2-CD2 4.24Å; S247-L251 WeakPolarHBondContact O-CB 3.27Å; S247-L251 VanDerWaalsContact O-CG 3.3Å; S247-L251 WeakPolarHBondContact O-CG 3.32Å; S247-L251 PolarHBondContact O-N 2.95Å; D248-L251 PolarHBondContact O-N 3.18Å; L251-H253 VanDerWaalsContact C-N 3.35Å; L251-M254 HydrophobicContact CD2-CE 4.07Å; L251-M254 PolarHBondContact O-N 2.93Å; L251-K255 WeakPolarHBondContact O-CB 3.09Å; L251-K255 PolarHBondContact O-N 3.39Å; L251-V264 HydrophobicContact CD1-CG2 4.28Å; L251-V264 HydrophobicContact CD2-CG1 4.33Å; L251-R276 HydrophobicContact CD1-CB 3.92Å
252A98.6Very high97.8Very high55 Ų5549 Ų4946%0.45528%0.278SS..Hα-helixtrans-65.3-39176.200000111.7D248 L249 K255 S256D248-A252 WeakPolarHBondContact O-CB 3.44Å; D248-A252 PolarHBondContact O-N 3.36Å; L249-A252 PolarHBondContact O-N 2.92Å; A252-K255 PolarHBondContact O-N 3.35Å; A252-S256 WeakPolarHBondContact O-CB 3.17Å; A252-S256 PolarHBondContact O-N 3.04Å; A252-S256 PolarHBondContact O-OG 3.4Å
253H98.7Very high97.8Very high61 Ų6145.6 Ų45.628%0.28225%0.254SS..Hα-helixtrans-62.3-49.4173.6-173.885.3000111.2H232 L249 G250 L251 K255 S256 R257H232-H253 AromaticContact CE1-CD2 3.52Å; H232-H253 AromaticContact CE1-CG 3.6Å; H232-H253 AromaticContact CE1-NE2 3.99Å; H232-H253 AromaticContact ND1-CD2 3.89Å; L249-H253 WeakPolarHBondContact O-CB 3.3Å; L249-H253 PolarHBondContact O-N 3.42Å; G250-H253 PolarHBondContact O-N 3.11Å; L251-H253 VanDerWaalsContact C-N 3.35Å; H253-K255 VanDerWaalsContact C-N 3.31Å; H253-K255 PolarHBondContact O-N 2.79Å; H253-S256 PolarHBondContact O-N 3.41Å; H253-S256 PolarHBondContact O-OG 3.27Å; H253-S256 VanDerWaalsContact O-OG 3.13Å; H253-R257 VanDerWaalsContact CE1-CG 3.44Å; H253-R257 WeakPolarHBondContact CE1-CG 3.35Å; H253-R257 WeakPolarHBondContact O-CB 3.33Å; H253-R257 VanDerWaalsContact O-CG 3.31Å; H253-R257 WeakPolarHBondContact O-CG 3.47Å; H253-R257 PolarHBondContact O-N 3.29Å
254M98.5Very high97.8Very high0 Ų045.4 Ų45.40%025%0.252CS..Hα-helixtrans-55.8-46176.5-172.517859.900112A223 I224 V227 L229 G250 L251 V258 G259 G260A223-M254 HydrophobicContact CB-CG 4.07Å; A223-M254 HydrophobicContact CB-SD 4.03Å; I224-M254 HydrophobicContact CG1-SD 3.75Å; V227-M254 HydrophobicContact CG2-CB 4Å; V227-M254 HydrophobicContact CG2-CG 4.02Å; L229-M254 HydrophobicContact CD2-CE 4.21Å; L229-M254 HydrophobicContact CD2-SD 4.08Å; G250-M254 PolarHBondContact O-N 2.92Å; L251-M254 HydrophobicContact CD2-CE 4.07Å; L251-M254 PolarHBondContact O-N 2.93Å; M254-V258 HydrophobicContact CG-CG2 3.93Å; M254-V258 WeakPolarHBondContact O-CG2 3.15Å; M254-V258 PolarHBondContact O-N 3.2Å; M254-V258 VanDerWaalsContact O-N 3.12Å; M254-G259 PolarHBondContact O-N 3.13Å; M254-G260 PolarHBondContact O-N 3.12Å
255K97.7Very high97.8Very high124 Ų12440.7 Ų40.754%0.53923%0.23SC..Hα-helixtrans-62.1-49.8178.5-176.9176.5179.6177.50112L251 A252 H253 G259 G260 L261L251-K255 WeakPolarHBondContact O-CB 3.09Å; L251-K255 PolarHBondContact O-N 3.39Å; A252-K255 PolarHBondContact O-N 3.35Å; H253-K255 VanDerWaalsContact C-N 3.31Å; H253-K255 PolarHBondContact O-N 2.79Å; K255-G259 WeakPolarHBondContact O-CA 3.44Å; K255-G259 PolarHBondContact O-N 2.92Å; K255-G260 VanDerWaalsContact CA-O 3.25Å; K255-G260 WeakPolarHBondContact CA-O 3.44Å; K255-G260 PolarHBondContact N-O 3.34Å; K255-L261 HydrophobicContact CB-CD2 4.43Å; K255-L261 HydrophobicContact CD-CD2 3.87Å; K255-L261 HydrophobicContact CG-CD2 3.96Å
256S98.3Very high97.8Very high88 Ų8839.3 Ų39.362%0.61522%0.219SC*.Hα-helixtrans-72-34.8-174.858.90000113.6A252 H253A252-S256 WeakPolarHBondContact O-CB 3.17Å; A252-S256 PolarHBondContact O-N 3.04Å; A252-S256 PolarHBondContact O-OG 3.4Å; H253-S256 PolarHBondContact O-N 3.41Å; H253-S256 PolarHBondContact O-OG 3.27Å; H253-S256 VanDerWaalsContact O-OG 3.13Å
257R98.4Very high97.8Very high174 Ų17439.3 Ų39.366%0.65722%0.219SC*.Hα-helixtrans-90.7-35.9-173.5-57.6-46.4-70.6-88.3-1.8114H253H253-R257 VanDerWaalsContact CE1-CG 3.44Å; H253-R257 WeakPolarHBondContact CE1-CG 3.35Å; H253-R257 WeakPolarHBondContact O-CB 3.33Å; H253-R257 VanDerWaalsContact O-CG 3.31Å; H253-R257 WeakPolarHBondContact O-CG 3.47Å; H253-R257 PolarHBondContact O-N 3.29Å
258V97.5Very high97.8Very high53 Ų5340.1 Ų40.132%0.32122%0.223SC..Hα-helixtrans-129.66.5-174-61.20000113.6A223 K226 V227 M254 G260A223-V258 HydrophobicContact CB-CG2 3.77Å; K226-V258 HydrophobicContact CB-CG1 4.22Å; K226-V258 HydrophobicContact CD-CG1 4.16Å; V227-V258 HydrophobicContact CG1-CG1 4.29Å; V227-V258 HydrophobicContact CG1-CG2 3.99Å; M254-V258 HydrophobicContact CG-CG2 3.93Å; M254-V258 WeakPolarHBondContact O-CG2 3.15Å; M254-V258 PolarHBondContact O-N 3.2Å; M254-V258 VanDerWaalsContact O-N 3.12Å; V258-G260 PolarHBondContact O-N 3.29Å
259G95Very high97.8Very high60 Ų6038.2 Ų38.262%0.61921%0.214SC*.  trans67.413.2178.200000114.2M254 K255M254-G259 PolarHBondContact O-N 3.13Å; K255-G259 WeakPolarHBondContact O-CA 3.44Å; K255-G259 PolarHBondContact O-N 2.92Å
260G93.6Very high97.7Very high0 Ų040.2 Ų40.20%022%0.221CC..  trans-81144.2-177.900000112.5M254 K255 V258M254-G260 PolarHBondContact O-N 3.12Å; K255-G260 VanDerWaalsContact CA-O 3.25Å; K255-G260 WeakPolarHBondContact CA-O 3.44Å; K255-G260 PolarHBondContact N-O 3.34Å; V258-G260 PolarHBondContact O-N 3.29Å
261L95Very high97.7Very high72 Ų7240.2 Ų40.238%0.37722%0.221SC..  trans-118.1154.9168.8-57.9178.7000109.5H220 K255H220-L261 PolarHBondContact N-O 3.13Å; K255-L261 HydrophobicContact CB-CD2 4.43Å; K255-L261 HydrophobicContact CD-CD2 3.87Å; K255-L261 HydrophobicContact CG-CD2 3.96Å
262G95.9Very high97.7Very high0 Ų043.4 Ų43.40%024%0.238CC..EExtended strand (participates in β ladder)trans178.7-162-178.700000112.1T218 F277 S278 S279T218-G262 CarbonylContact O-C 3.58Å; T218-G262 WeakPolarHBondContact O-CA 3.22Å; G262-F277 CarbonylContact O-C 3.44Å; G262-F277 WeakPolarHBondContact O-CA 3.45Å; G262-F277 WeakPolarHBondContact O-CB 3.25Å; G262-S278 PolarHBondContact N-OG 2.88Å; G262-S278 PolarHBondContact O-N 3.3Å; G262-S278 PolarHBondContact O-OG 2.88Å; G262-S279 PolarHBondContact O-N 2.83Å
263G98Very high97.7Very high0 Ų043.1 Ų43.10%023%0.225CC..EExtended strand (participates in β ladder)trans-156.3164.9177.300000111.7T218 R276T218-G263 WeakPolarHBondContact CG2-O 3.42Å; T218-G263 PolarHBondContact N-O 2.76Å; T218-G263 PolarHBondContact O-N 2.73Å; G263-R276 CarbonylContact C-O 3.44Å; G263-R276 VanDerWaalsContact CA-O 3.22Å; G263-R276 WeakPolarHBondContact CA-O 3.09Å
264V98.8Very high97.7Very high0 Ų040.3 Ų40.30%021%0.213CC..EExtended strand (participates in β ladder)trans-144.9150-174.7-57.50000110.6V215 S216 T217 L229 I233 L251 A275 R276V215-V264 HydrophobicContact CG1-CB 4.31Å; V215-V264 HydrophobicContact CG1-CG1 4.49Å; S216-V264 VanDerWaalsContact O-CA 3.31Å; S216-V264 WeakPolarHBondContact O-CA 3.31Å; T217-V264 HydrophobicContact CG2-CG1 3.81Å; L229-V264 HydrophobicContact CD2-CG1 3.86Å; L229-V264 HydrophobicContact CG-CG1 4.32Å; I233-V264 HydrophobicContact CD1-CB 4.15Å; I233-V264 HydrophobicContact CD1-CG1 3.66Å; I233-V264 HydrophobicContact CD1-CG2 3.96Å; L251-V264 HydrophobicContact CD1-CG2 4.28Å; L251-V264 HydrophobicContact CD2-CG1 4.33Å; V264-A275 WeakPolarHBondContact O-CA 3.35Å; V264-R276 HydrophobicContact CG2-CB 4.31Å; V264-R276 PolarHBondContact N-O 3.23Å; V264-R276 PolarHBondContact O-N 3.24Å
265V98.9Very high97.7Very high0 Ų041.1 Ų41.10%022%0.22CC..EExtended strand (participates in β ladder)trans-115.7137.9160.7-60.90000108.2V6 H8 V171 V215 S216 A274 A275 M282V6-V265 HydrophobicContact CB-CB 4.18Å; V6-V265 HydrophobicContact CG1-CB 3.68Å; V6-V265 HydrophobicContact CG1-CG1 3.7Å; H8-V265 HydrophobicContact CB-CG1 3.89Å; V171-V265 HydrophobicContact CG1-CG2 4.05Å; V171-V265 HydrophobicContact CG2-CB 4.29Å; V171-V265 HydrophobicContact CG2-CG2 3.87Å; V215-V265 WeakPolarHBondContact CA-O 3.46Å; S216-V265 PolarHBondContact N-O 3.2Å; S216-V265 PolarHBondContact O-N 3.49Å; V265-A274 WeakPolarHBondContact CA-O 3.44Å; V265-A275 HydrophobicContact CG1-CB 4.25Å; V265-M282 HydrophobicContact CG1-CE 4.32Å
266T98.9Very high97.7Very high0 Ų038.6 Ų38.60%021%0.207CC..EExtended strand (participates in β ladder)trans-138.3140.7-171.4-54.20000109.6A214 V215 I233 M237 A243 S247 W273 A274A214-T266 CarbonylContact O-C 3.52Å; A214-T266 VanDerWaalsContact O-CA 3.31Å; A214-T266 WeakPolarHBondContact O-CA 3.37Å; V215-T266 HydrophobicContact CG2-CG2 3.79Å; I233-T266 HydrophobicContact CG2-CG2 4.32Å; M237-T266 HydrophobicContact CE-CG2 4.24Å; M237-T266 HydrophobicContact SD-CG2 3.55Å; M237-T266 VanDerWaalsContact SD-CG2 3.55Å; A243-T266 HydrophobicContact CB-CG2 3.86Å; S247-T266 PolarHBondContact OG-OG1 2.99Å; T266-W273 CarbonylContact O-C 3.5Å; T266-W273 WeakPolarHBondContact O-CA 3.35Å; T266-W273 WeakPolarHBondContact O-CB 3.49Å; T266-A274 PolarHBondContact N-O 3.43Å; T266-A274 PolarHBondContact O-N 3.01Å
267V98.8Very high97.7Very high0 Ų035.6 Ų35.60%018%0.183CC..EExtended strand (participates in β ladder)trans-140.9143.5172.370.10000110.7V4 V171 V173 G213 A214 N272 W273V4-V267 HydrophobicContact CB-CG2 4.38Å; V4-V267 HydrophobicContact CG1-CG2 4.38Å; V171-V267 HydrophobicContact CB-CG1 3.83Å; V171-V267 HydrophobicContact CG2-CB 3.97Å; V171-V267 HydrophobicContact CG2-CG1 3.7Å; V173-V267 HydrophobicContact CB-CG2 4.33Å; V173-V267 HydrophobicContact CG1-CG2 3.68Å; G213-V267 CarbonylContact C-O 3.56Å; G213-V267 WeakPolarHBondContact CA-O 3.39Å; A214-V267 HydrophobicContact CB-CG1 4.13Å; A214-V267 PolarHBondContact N-O 3.12Å; A214-V267 PolarHBondContact O-N 3.44Å; V267-N272 CarbonylContact C-O 3.49Å; V267-N272 WeakPolarHBondContact CA-O 3.49Å; V267-W273 HydrophobicContact CB-CB 4.24Å; V267-W273 HydrophobicContact CG2-CB 4.07Å
268D98.4Very high97.5Very high17 Ų1729 Ų299%0.09116%0.163CC..  trans-99.4166.4171.575.316.4000112M237 Q270 G271 N272M237-D268 HydrophobicContact CE-CB 3.69Å; D268-Q270 PolarHBondContact O-N 2.83Å; D268-Q270 VanDerWaalsContact O-N 3.08Å; D268-Q270 VanDerWaalsContact OD1-C 3.32Å; D268-Q270 WeakPolarHBondContact OD1-CA 3.48Å; D268-Q270 WeakPolarHBondContact OD1-CB 3.1Å; D268-Q270 PolarHBondContact OD1-N 3.37Å; D268-G271 PolarHBondContact O-N 3.44Å; D268-G271 PolarHBondContact OD1-N 2.93Å; D268-N272 PolarHBondContact N-O 2.92Å; D268-N272 PolarHBondContact OD1-N 3.32Å; D268-N272 PolarHBondContact OD1-ND2 3.49Å; D268-N272 VanDerWaalsContact OD2-CB 3.26Å; D268-N272 WeakPolarHBondContact OD2-CB 3.21Å; D268-N272 PolarHBondContact OD2-ND2 3Å
269P97.9Very high97.3Very high17 Ų1727 Ų2711%0.1115%0.151CC..THydrogen-bonded Turntrans-63.6-12.7179.6-21.232.7000114.4V179 N210V179-P269 HydrophobicContact CG1-CB 4.38Å; V179-P269 HydrophobicContact CG1-CG 4.18Å; N210-P269 WeakPolarHBondContact O-CG 3.41Å
270Q97.6Very high97.1Very high118 Ų11832.3 Ų32.355%0.55115%0.153SC*.THydrogen-bonded Turntrans-92.1-4.7176.5-64.773.743.100112.2M1 D268M1-Q270 WeakPolarHBondContact CB-O 3.38Å; D268-Q270 PolarHBondContact O-N 2.83Å; D268-Q270 VanDerWaalsContact O-N 3.08Å; D268-Q270 VanDerWaalsContact OD1-C 3.32Å; D268-Q270 WeakPolarHBondContact OD1-CA 3.48Å; D268-Q270 WeakPolarHBondContact OD1-CB 3.1Å; D268-Q270 PolarHBondContact OD1-N 3.37Å
271G97.8Very high97.2Very high0 Ų032.4 Ų32.40%015%0.153CC..SBendtrans81.719.7-179.400000114.2D268 Q288D268-G271 PolarHBondContact O-N 3.44Å; D268-G271 PolarHBondContact OD1-N 2.93Å; G271-Q288 PolarHBondContact O-NE2 3.46Å
272N98.5Very high97.3Very high73 Ų7329 Ų2939%0.3914%0.135SC..  trans-79.3135162.4-47.9-67.5000108.3M1 V267 D268M1-N272 WeakPolarHBondContact CE-OD1 3.31Å; V267-N272 CarbonylContact C-O 3.49Å; V267-N272 WeakPolarHBondContact CA-O 3.49Å; D268-N272 PolarHBondContact N-O 2.92Å; D268-N272 PolarHBondContact OD1-N 3.32Å; D268-N272 PolarHBondContact OD1-ND2 3.49Å; D268-N272 VanDerWaalsContact OD2-CB 3.26Å; D268-N272 WeakPolarHBondContact OD2-CB 3.21Å; D268-N272 PolarHBondContact OD2-ND2 3Å
273W98.6Very high97.4Very high48 Ų4829 Ų2918%0.18214%0.135CC..EExtended strand (participates in β ladder)trans-138.6162.5-174.163.9-91.3000112V4 V6 T266 V267 W284 A286 Q288 H293V4-W273 HydrophobicContact CG1-CB 4.35Å; V4-W273 HydrophobicContact CG1-CG 4.08Å; V6-W273 HydrophobicContact CG1-CE3 4.22Å; V6-W273 HydrophobicContact CG2-CB 3.71Å; V6-W273 HydrophobicContact CG2-CD2 3.97Å; V6-W273 HydrophobicContact CG2-CE3 4Å; V6-W273 HydrophobicContact CG2-CG 3.84Å; T266-W273 CarbonylContact O-C 3.5Å; T266-W273 WeakPolarHBondContact O-CA 3.35Å; T266-W273 WeakPolarHBondContact O-CB 3.49Å; V267-W273 HydrophobicContact CB-CB 4.24Å; V267-W273 HydrophobicContact CG2-CB 4.07Å; W273-W284 AromaticContact CH2-CH2 3.91Å; W273-W284 HydrophobicContact CH2-CH2 3.91Å; W273-W284 AromaticContact CH2-CZ3 3.55Å; W273-W284 HydrophobicContact CH2-CZ3 3.55Å; W273-W284 HydrophobicContact CZ3-CE3 4.22Å; W273-W284 HydrophobicContact CZ3-CH2 4.08Å; W273-W284 AromaticContact CZ3-CZ3 3.54Å; W273-W284 HydrophobicContact CZ3-CZ3 3.54Å; W273-A286 HydrophobicContact CD2-CB 4.01Å; W273-A286 HydrophobicContact CE3-CB 3.94Å; W273-A286 HydrophobicContact CH2-CB 3.69Å; W273-A286 HydrophobicContact CZ2-CB 3.7Å; W273-A286 HydrophobicContact CZ3-CB 3.79Å; W273-Q288 VanDerWaalsContact NE1-OE1 3.12Å; W273-H293 HydrophobicContact CH2-CB 4Å; W273-H293 HydrophobicContact CZ2-CB 4.16Å; W273-H293 AromaticContact CZ2-CD2 3.9Å; W273-H293 AromaticContact CZ2-CG 3.93Å
274A98.6Very high97.4Very high3 Ų329.6 Ų29.63%0.02514%0.138CC..EExtended strand (participates in β ladder)trans-147.3149.6174.500000111.4A243 E244 V265 T266 R276A243-A274 HydrophobicContact CB-CB 4.19Å; E244-A274 HydrophobicContact CB-CB 4.06Å; V265-A274 WeakPolarHBondContact CA-O 3.44Å; T266-A274 PolarHBondContact N-O 3.43Å; T266-A274 PolarHBondContact O-N 3.01Å; A274-R276 HydrophobicContact CB-CG 4.08Å
275A98.6Very high97.4Very high16 Ų1629.6 Ų29.613%0.13214%0.138CC..EExtended strand (participates in β ladder)trans-123.1108.8165.400000107.9V264 V265 M282 W284V264-A275 WeakPolarHBondContact O-CA 3.35Å; V265-A275 HydrophobicContact CG1-CB 4.25Å; A275-M282 HydrophobicContact CB-CE 4.09Å; A275-W284 HydrophobicContact CB-CB 4Å; A275-W284 HydrophobicContact CB-CD2 3.51Å; A275-W284 HydrophobicContact CB-CE3 3.71Å; A275-W284 HydrophobicContact CB-CG 3.64Å; A275-W284 HydrophobicContact CB-CZ3 4.41Å
276R98.4Very high97.4Very high71 Ų7129.6 Ų29.627%0.26814%0.138SC..EExtended strand (participates in β ladder)trans-128.6144.4-172.2-54.7-60.1-71.7-163.6-2.9110.5E244 D248 L251 G263 V264 A274E244-R276 IonicContact OE1-CZ 3.2Å; E244-R276 IonicContact OE1-NH1 3.1Å; E244-R276 PolarHBondContact OE1-NH1 2.69Å; E244-R276 IonicContact OE2-CZ 3.47Å; E244-R276 IonicContact OE2-NH1 3.14Å; E244-R276 PolarHBondContact OE2-NH1 3.44Å; D248-R276 VanDerWaalsContact CG-NH2 3.31Å; D248-R276 IonicContact OD1-CZ 3.38Å; D248-R276 IonicContact OD1-NE 2.76Å; D248-R276 PolarHBondContact OD1-NE 3.04Å; D248-R276 IonicContact OD1-NH2 3.16Å; D248-R276 PolarHBondContact OD1-NH2 3.21Å; D248-R276 VanDerWaalsContact OD1-NH2 3.16Å; D248-R276 IonicContact OD2-CZ 3.39Å; D248-R276 IonicContact OD2-NE 3.84Å; D248-R276 IonicContact OD2-NH2 2.68Å; D248-R276 PolarHBondContact OD2-NH2 2.97Å; L251-R276 HydrophobicContact CD1-CB 3.92Å; G263-R276 CarbonylContact C-O 3.44Å; G263-R276 VanDerWaalsContact CA-O 3.22Å; G263-R276 WeakPolarHBondContact CA-O 3.09Å; V264-R276 HydrophobicContact CG2-CB 4.31Å; V264-R276 PolarHBondContact N-O 3.23Å; V264-R276 PolarHBondContact O-N 3.24Å; A274-R276 HydrophobicContact CB-CG 4.08Å
277F97.8Very high97.4Very high26 Ų2629.6 Ų29.611%0.11414%0.138CC..EExtended strand (participates in β ladder)trans-155.9146.2-178.452.3-83.1000112.7G262 S279 M282 Y297 T298G262-F277 CarbonylContact O-C 3.44Å; G262-F277 WeakPolarHBondContact O-CA 3.45Å; G262-F277 WeakPolarHBondContact O-CB 3.25Å; F277-S279 WeakPolarHBondContact CD2-O 3.47Å; F277-M282 HydrophobicContact CB-CB 3.99Å; F277-M282 HydrophobicContact CB-CE 4.4Å; F277-M282 HydrophobicContact CB-SD 4.11Å; F277-M282 HydrophobicContact CD1-CB 3.63Å; F277-M282 HydrophobicContact CD1-CE 3.69Å; F277-M282 HydrophobicContact CD1-CG 4.49Å; F277-M282 HydrophobicContact CD1-SD 4.31Å; F277-M282 HydrophobicContact CD2-CB 4.03Å; F277-M282 HydrophobicContact CE1-CB 4.01Å; F277-M282 HydrophobicContact CE1-CE 4.41Å; F277-M282 HydrophobicContact CE2-CB 4.38Å; F277-M282 HydrophobicContact CG-CB 3.62Å; F277-M282 HydrophobicContact CG-CE 4.43Å; F277-M282 HydrophobicContact CZ-CB 4.35Å; F277-Y297 VanDerWaalsContact CZ-C 3.48Å; F277-T298 VanDerWaalsContact CE2-OG1 3.3Å; F277-T298 WeakPolarHBondContact CE2-OG1 3.41Å
278S95.9Very high97.4Very high34 Ų3430.5 Ų30.524%0.23814%0.142CC..SBendtrans-104.1-7.2175.762.20000113G262G262-S278 PolarHBondContact N-OG 2.88Å; G262-S278 PolarHBondContact O-N 3.3Å; G262-S278 PolarHBondContact O-OG 2.88Å
279S92.8Very high97.2Very high12 Ų1236.2 Ų36.28%0.08417%0.166CC..SBendtrans-70.5173.7166.660.20000111.5A11 G262 F277 Q281A11-S279 WeakPolarHBondContact CB-OG 3.4Å; G262-S279 PolarHBondContact O-N 2.83Å; F277-S279 WeakPolarHBondContact CD2-O 3.47Å; S279-Q281 PolarHBondContact OG-O 3.07Å
280R90.9Very high97.1Very high172 Ų17236.4 Ų36.465%0.64917%0.171SC*.SBendtrans-67.7-40.5175.8-172.2-179.3177.1174.6-0.7112.6
281Q95.3Very high97.1Very high1 Ų132.8 Ų32.81%0.00516%0.157CC..EExtended strand (participates in β ladder)trans-137.7154-178.6-62.5158.8-76.800109.8A11 G12 H13 I14 S279 L296 Y297A11-Q281 CarbonylContact C-O 3.6Å; A11-Q281 WeakPolarHBondContact CA-O 3.41Å; G12-Q281 PolarHBondContact N-O 3.37Å; G12-Q281 WeakPolarHBondContact O-CB 3.42Å; G12-Q281 PolarHBondContact O-N 3.23Å; H13-Q281 PolarHBondContact ND1-OE1 3.31Å; I14-Q281 HydrophobicContact CD1-CB 4.46Å; I14-Q281 PolarHBondContact O-NE2 3.3Å; I14-Q281 PolarHBondContact O-OE1 2.94Å; S279-Q281 PolarHBondContact OG-O 3.07Å; Q281-L296 CarbonylContact C-O 3.57Å; Q281-L296 VanDerWaalsContact CA-O 3.27Å; Q281-L296 WeakPolarHBondContact CA-O 3.48Å; Q281-L296 HydrophobicContact CB-CD1 3.97Å; Q281-L296 HydrophobicContact CB-CG 4.32Å; Q281-L296 HydrophobicContact CG-CD1 4.43Å; Q281-L296 HydrophobicContact CG-CG 4.31Å; Q281-Y297 HydrophobicContact CG-CD1 3.6Å; Q281-Y297 HydrophobicContact CG-CE1 3.43Å; Q281-Y297 VanDerWaalsContact CG-CE1 3.43Å; Q281-Y297 HydrophobicContact CG-CG 4.39Å; Q281-Y297 PolarHBondContact NE2-OH 2.88Å
282M97.4Very high97.1Very high0 Ų032.8 Ų32.80%016%0.157CC..EExtended strand (participates in β ladder)trans-149.7117.4161.5-176.7175.979.600107H8 G10 A11 T218 V265 A275 F277 W284 L296H8-M282 HydrophobicContact CB-CE 4.46Å; H8-M282 HydrophobicContact CB-CG 4.21Å; H8-M282 HydrophobicContact CB-SD 4.09Å; G10-M282 WeakPolarHBondContact O-CA 3.44Å; A11-M282 HydrophobicContact CB-CB 4.15Å; A11-M282 HydrophobicContact CB-CG 4.1Å; A11-M282 HydrophobicContact CB-SD 4.19Å; T218-M282 HydrophobicContact CG2-CG 4.47Å; T218-M282 HydrophobicContact CG2-SD 3.87Å; V265-M282 HydrophobicContact CG1-CE 4.32Å; A275-M282 HydrophobicContact CB-CE 4.09Å; F277-M282 HydrophobicContact CB-CB 3.99Å; F277-M282 HydrophobicContact CB-CE 4.4Å; F277-M282 HydrophobicContact CB-SD 4.11Å; F277-M282 HydrophobicContact CD1-CB 3.63Å; F277-M282 HydrophobicContact CD1-CE 3.69Å; F277-M282 HydrophobicContact CD1-CG 4.49Å; F277-M282 HydrophobicContact CD1-SD 4.31Å; F277-M282 HydrophobicContact CD2-CB 4.03Å; F277-M282 HydrophobicContact CE1-CB 4.01Å; F277-M282 HydrophobicContact CE1-CE 4.41Å; F277-M282 HydrophobicContact CE2-CB 4.38Å; F277-M282 HydrophobicContact CG-CB 3.62Å; F277-M282 HydrophobicContact CG-CE 4.43Å; F277-M282 HydrophobicContact CZ-CB 4.35Å; M282-W284 HydrophobicContact CE-CB 4.07Å; M282-W284 HydrophobicContact CE-CG 4.46Å; M282-W284 PolarHBondContact O-N 3.18Å; M282-L296 PolarHBondContact N-O 2.96Å; M282-L296 WeakPolarHBondContact O-CA 3.4Å
283A97.5Very high97.1Very high0 Ų030.6 Ų30.60%014%0.144CC..EExtended strand (participates in β ladder)trans-69123.9171.200000108.1H8 G9 I14 V26 L296H8-A283 CarbonylContact C-O 3.54Å; H8-A283 WeakPolarHBondContact CA-O 3.4Å; G9-A283 PolarHBondContact N-O 3.37Å; I14-A283 HydrophobicContact CD1-CB 4.11Å; V26-A283 HydrophobicContact CG1-CB 4.18Å; V26-A283 HydrophobicContact CG2-CB 4.36Å; A283-L296 HydrophobicContact CB-CD1 4.05Å
284W98.7Very high97.1Very high13 Ų1331.1 Ų31.15%0.04915%0.147CC..EExtended strand (participates in β ladder)trans-142.2152.4179.669.1-91.2000111.2V7 W273 A275 M282 A286 H293 Y294 G295 E300 H301V7-W284 CarbonylContact O-C 3.4Å; V7-W284 VanDerWaalsContact O-CA 3.23Å; V7-W284 WeakPolarHBondContact O-CA 3.49Å; W273-W284 AromaticContact CH2-CH2 3.91Å; W273-W284 HydrophobicContact CH2-CH2 3.91Å; W273-W284 AromaticContact CH2-CZ3 3.55Å; W273-W284 HydrophobicContact CH2-CZ3 3.55Å; W273-W284 HydrophobicContact CZ3-CE3 4.22Å; W273-W284 HydrophobicContact CZ3-CH2 4.08Å; W273-W284 AromaticContact CZ3-CZ3 3.54Å; W273-W284 HydrophobicContact CZ3-CZ3 3.54Å; A275-W284 HydrophobicContact CB-CB 4Å; A275-W284 HydrophobicContact CB-CD2 3.51Å; A275-W284 HydrophobicContact CB-CE3 3.71Å; A275-W284 HydrophobicContact CB-CG 3.64Å; A275-W284 HydrophobicContact CB-CZ3 4.41Å; M282-W284 HydrophobicContact CE-CB 4.07Å; M282-W284 HydrophobicContact CE-CG 4.46Å; M282-W284 PolarHBondContact O-N 3.18Å; W284-A286 HydrophobicContact CZ3-CB 4.38Å; W284-H293 HydrophobicContact CH2-CB 4.26Å; W284-H293 HydrophobicContact CZ3-CB 4.01Å; W284-Y294 VanDerWaalsContact O-CA 3.3Å; W284-Y294 WeakPolarHBondContact O-CA 3.41Å; W284-Y294 WeakPolarHBondContact O-CB 3.21Å; W284-G295 PolarHBondContact N-O 3.07Å; W284-G295 PolarHBondContact O-N 2.95Å; W284-G295 VanDerWaalsContact O-N 3.11Å; W284-E300 WeakPolarHBondContact CZ2-O 3.4Å; W284-H301 AromaticContact CH2-CD2 3.76Å
285A98.8Very high97.1Very high0 Ų031 Ų310%015%0.145CC..EExtended strand (participates in β ladder)trans-145.8151170.600000111.1V6 V7 V26 V30 L292 H293V6-A285 CarbonylContact C-O 3.43Å; V6-A285 WeakPolarHBondContact CA-O 3.49Å; V7-A285 PolarHBondContact N-O 2.98Å; V7-A285 PolarHBondContact O-N 2.91Å; V26-A285 HydrophobicContact CB-CB 4.07Å; V26-A285 HydrophobicContact CG2-CB 3.9Å; V30-A285 HydrophobicContact CB-CB 4.2Å; V30-A285 HydrophobicContact CG1-CB 3.73Å; A285-L292 HydrophobicContact CB-CD1 4.35Å; A285-H293 CarbonylContact C-O 3.19Å; A285-H293 WeakPolarHBondContact CA-O 3.31Å; A285-H293 WeakPolarHBondContact CB-O 3.37Å
286A98.9Very high97Very high0 Ų030.6 Ų30.60%014%0.141CC..EExtended strand (participates in β ladder)trans-133.7148.6173.900000110.1V5 V6 W273 W284 L292 H293V5-A286 CarbonylContact O-C 3.6Å; V5-A286 VanDerWaalsContact O-CA 3.22Å; V5-A286 WeakPolarHBondContact O-CA 3.42Å; V6-A286 HydrophobicContact CB-CB 4.36Å; V6-A286 HydrophobicContact CG1-CB 4.1Å; V6-A286 HydrophobicContact CG2-CB 3.9Å; W273-A286 HydrophobicContact CD2-CB 4.01Å; W273-A286 HydrophobicContact CE3-CB 3.94Å; W273-A286 HydrophobicContact CH2-CB 3.69Å; W273-A286 HydrophobicContact CZ2-CB 3.7Å; W273-A286 HydrophobicContact CZ3-CB 3.79Å; W284-A286 HydrophobicContact CZ3-CB 4.38Å; A286-L292 CarbonylContact O-C 3.59Å; A286-L292 WeakPolarHBondContact O-CA 3.22Å; A286-H293 HydrophobicContact CB-CB 4.24Å; A286-H293 PolarHBondContact N-O 3.43Å; A286-H293 PolarHBondContact O-N 3.36Å
287A98.6Very high96.9Very high0 Ų031.1 Ų31.10%014%0.144CC..EExtended strand (participates in β ladder)trans-127.5126.8172.400000110V4 V5 V30 Y34 T291 I306V4-A287 WeakPolarHBondContact CA-O 3.47Å; V5-A287 PolarHBondContact N-O 3.31Å; V5-A287 PolarHBondContact O-N 3.24Å; V30-A287 HydrophobicContact CG1-CB 4.37Å; V30-A287 HydrophobicContact CG2-CB 3.88Å; Y34-A287 HydrophobicContact CD1-CB 4.1Å; Y34-A287 HydrophobicContact CD2-CB 3.6Å; Y34-A287 WeakPolarHBondContact CD2-O 2.98Å; Y34-A287 HydrophobicContact CE2-CB 4.28Å; Y34-A287 WeakPolarHBondContact CE2-O 3.22Å; Y34-A287 HydrophobicContact CG-CB 3.49Å; Y34-A287 VanDerWaalsContact CG-CB 3.49Å; A287-T291 WeakPolarHBondContact CA-O 3.37Å; A287-I306 HydrophobicContact CB-CD1 3.84Å
288Q97.8Very high96.5Very high20 Ų2034.8 Ų34.89%0.09317%0.168CC..EExtended strand (participates in β ladder)trans-157.9137.5-179.4178174.651.200109.4M1 V4 G271 W273 G290 T291M1-Q288 WeakPolarHBondContact O-CG 3.39Å; M1-Q288 PolarHBondContact O-NE2 3.18Å; V4-Q288 HydrophobicContact CG1-CB 4.39Å; V4-Q288 HydrophobicContact CG2-CB 4.1Å; V4-Q288 HydrophobicContact CG2-CG 3.77Å; G271-Q288 PolarHBondContact O-NE2 3.46Å; W273-Q288 VanDerWaalsContact NE1-OE1 3.12Å; Q288-G290 VanDerWaalsContact C-N 3.25Å; Q288-G290 PolarHBondContact O-N 3.39Å; Q288-T291 PolarHBondContact N-O 3.28Å; Q288-T291 WeakPolarHBondContact O-CB 3.18Å; Q288-T291 PolarHBondContact O-N 3.21Å
289K95.3Very high96.2Very high137 Ų13737.1 Ų37.160%0.59620%0.197SC*.THydrogen-bonded Turntrans51.940.9176.7-62.6169.9-173.9172.70113.4M1 Y34 T291M1-K289 PolarHBondContact SD-NZ 3.14Å; M1-K289 VanDerWaalsContact SD-NZ 3.36Å; Y34-K289 PolarHBondContact OH-N 3.12Å; Y34-K289 VanDerWaalsContact OH-N 3.08Å; K289-T291 PolarHBondContact O-N 3.31Å
290G94.4Very high96.3Very high20 Ų2039.4 Ų39.421%0.20621%0.207CC..THydrogen-bonded Turntrans6714.4-179.600000114Y34 Q288 I306Y34-G290 PolarHBondContact OH-N 3.29Å; Q288-G290 VanDerWaalsContact C-N 3.25Å; Q288-G290 PolarHBondContact O-N 3.39Å; G290-I306 PolarHBondContact O-N 3.28Å
291T97.6Very high96.6Very high43 Ų4336.2 Ų36.226%0.26420%0.199SC..EExtended strand (participates in β ladder)trans-113.3129.7176-550000109.4A287 Q288 K289 T303A287-T291 WeakPolarHBondContact CA-O 3.37Å; Q288-T291 PolarHBondContact N-O 3.28Å; Q288-T291 WeakPolarHBondContact O-CB 3.18Å; Q288-T291 PolarHBondContact O-N 3.21Å; K289-T291 PolarHBondContact O-N 3.31Å; T291-T303 HydrophobicContact CG2-CG2 4.47Å
292L98.3Very high96.7Very high0 Ų040.6 Ų40.60%022%0.218CC..EExtended strand (participates in β ladder)trans-87.5131.2166.4177.268.8000108.7C27 V30 R31 A285 A286 Y294 T303 Q304 I306C27-L292 HydrophobicContact CB-CD2 4.02Å; V30-L292 HydrophobicContact CG1-CD1 3.25Å; R31-L292 VanDerWaalsContact CZ-CD2 3.49Å; A285-L292 HydrophobicContact CB-CD1 4.35Å; A286-L292 CarbonylContact O-C 3.59Å; A286-L292 WeakPolarHBondContact O-CA 3.22Å; L292-Y294 HydrophobicContact CD2-CD1 4.29Å; L292-Y294 HydrophobicContact CG-CD1 4.22Å; L292-T303 CarbonylContact O-C 3.59Å; L292-T303 VanDerWaalsContact O-CA 3.22Å; L292-T303 WeakPolarHBondContact O-CA 3.38Å; L292-Q304 HydrophobicContact CB-CB 4.35Å; L292-Q304 WeakPolarHBondContact CB-O 3.38Å; L292-Q304 HydrophobicContact CD2-CB 4.45Å; L292-Q304 PolarHBondContact N-O 3.47Å; L292-Q304 PolarHBondContact O-N 3.25Å; L292-I306 HydrophobicContact CB-CD1 4.28Å; L292-I306 HydrophobicContact CB-CG1 3.91Å
293H98.6Very high96.7Very high27 Ų2744.8 Ų44.813%0.12524%0.244CC..EExtended strand (participates in β ladder)trans-117.4141.5171.7-55.6-87000108.9W273 W284 A285 A286 H301 F302 T303W273-H293 HydrophobicContact CH2-CB 4Å; W273-H293 HydrophobicContact CZ2-CB 4.16Å; W273-H293 AromaticContact CZ2-CD2 3.9Å; W273-H293 AromaticContact CZ2-CG 3.93Å; W284-H293 HydrophobicContact CH2-CB 4.26Å; W284-H293 HydrophobicContact CZ3-CB 4.01Å; A285-H293 CarbonylContact C-O 3.19Å; A285-H293 WeakPolarHBondContact CA-O 3.31Å; A285-H293 WeakPolarHBondContact CB-O 3.37Å; A286-H293 HydrophobicContact CB-CB 4.24Å; A286-H293 PolarHBondContact N-O 3.43Å; A286-H293 PolarHBondContact O-N 3.36Å; H293-H301 WeakPolarHBondContact CB-NE2 2.95Å; H293-H301 AromaticContact CG-NE2 3.48Å; H293-H301 AromaticContact ND1-CD2 3.86Å; H293-H301 AromaticContact ND1-CE1 3.86Å; H293-H301 AromaticContact ND1-NE2 2.97Å; H293-H301 PolarHBondContact ND1-NE2 3.17Å; H293-F302 CarbonylContact C-O 3.58Å; H293-F302 VanDerWaalsContact CA-O 3.29Å; H293-F302 WeakPolarHBondContact CA-O 3.48Å; H293-T303 WeakPolarHBondContact ND1-CG2 3.43Å
294Y98.6Very high96.7Very high59 Ų5949.2 Ų49.223%0.23127%0.265CS..EExtended strand (participates in β ladder)trans-158.1162.4177.964.1-83.4000112.6T23 C27 W284 L292 F302T23-Y294 HydrophobicContact CG2-CD2 3.4Å; T23-Y294 VanDerWaalsContact CG2-CD2 3.4Å; T23-Y294 HydrophobicContact CG2-CE2 3.89Å; T23-Y294 HydrophobicContact CG2-CG 4.32Å; C27-Y294 VanDerWaalsContact SG-CB 3.57Å; W284-Y294 VanDerWaalsContact O-CA 3.3Å; W284-Y294 WeakPolarHBondContact O-CA 3.41Å; W284-Y294 WeakPolarHBondContact O-CB 3.21Å; L292-Y294 HydrophobicContact CD2-CD1 4.29Å; L292-Y294 HydrophobicContact CG-CD1 4.22Å; Y294-F302 HydrophobicContact CD1-CB 4.01Å; Y294-F302 HydrophobicContact CD2-CB 4Å; Y294-F302 AromaticContact CD2-CD2 3.93Å; Y294-F302 HydrophobicContact CD2-CD2 3.93Å; Y294-F302 HydrophobicContact CD2-CG 4.4Å; Y294-F302 HydrophobicContact CE1-CB 3.57Å; Y294-F302 HydrophobicContact CE2-CB 3.57Å; Y294-F302 AromaticContact CE2-CD2 3.64Å; Y294-F302 HydrophobicContact CE2-CD2 3.64Å; Y294-F302 AromaticContact CE2-CG 3.87Å; Y294-F302 HydrophobicContact CE2-CG 3.87Å; Y294-F302 HydrophobicContact CG-CB 4.21Å; Y294-F302 PolarHBondContact N-O 3.44Å; Y294-F302 PolarHBondContact O-N 3.2Å
295G98Very high96.5Very high0 Ų054.7 Ų54.70%029%0.293CS..EExtended strand (participates in β ladder)trans-170.4170.4176.800000112.2W284W284-G295 PolarHBondContact N-O 3.07Å; W284-G295 PolarHBondContact O-N 2.95Å; W284-G295 VanDerWaalsContact O-N 3.11Å
296L97Very high96.1Very high7 Ų755.8 Ų55.84%0.03730%0.299CS..EExtended strand (participates in β ladder)trans-131.3-43.5178.7177.861.7000112I14 Q281 M282 A283 E300I14-L296 HydrophobicContact CD1-CD1 3.48Å; I14-L296 VanDerWaalsContact CD1-CD1 3.48Å; Q281-L296 CarbonylContact C-O 3.57Å; Q281-L296 VanDerWaalsContact CA-O 3.27Å; Q281-L296 WeakPolarHBondContact CA-O 3.48Å; Q281-L296 HydrophobicContact CB-CD1 3.97Å; Q281-L296 HydrophobicContact CB-CG 4.32Å; Q281-L296 HydrophobicContact CG-CD1 4.43Å; Q281-L296 HydrophobicContact CG-CG 4.31Å; M282-L296 PolarHBondContact N-O 2.96Å; M282-L296 WeakPolarHBondContact O-CA 3.4Å; A283-L296 HydrophobicContact CB-CD1 4.05Å; L296-E300 PolarHBondContact N-OE2 3.45Å
297Y96.3Very high95.1Very high83 Ų8364 Ų6433%0.32534%0.337SS..EExtended strand (participates in β ladder)trans-100.7157.5179.3-62.4-87000112F277 Q281 G299 E300F277-Y297 VanDerWaalsContact CZ-C 3.48Å; Q281-Y297 HydrophobicContact CG-CD1 3.6Å; Q281-Y297 HydrophobicContact CG-CE1 3.43Å; Q281-Y297 VanDerWaalsContact CG-CE1 3.43Å; Q281-Y297 HydrophobicContact CG-CG 4.39Å; Q281-Y297 PolarHBondContact NE2-OH 2.88Å; Y297-G299 PolarHBondContact O-N 3.05Å; Y297-E300 WeakPolarHBondContact CD2-OE1 3.41Å; Y297-E300 WeakPolarHBondContact CD2-OE2 3.32Å; Y297-E300 PolarHBondContact N-OE2 3.28Å; Y297-E300 WeakPolarHBondContact O-CB 3.46Å; Y297-E300 PolarHBondContact O-N 3.03Å
298T90Very high93.2Very high103 Ų10369 Ų6963%0.63236%0.364SS*.THydrogen-bonded Turntrans-57.6129.3177.9-51.70000110.4F277 E300F277-T298 VanDerWaalsContact CE2-OG1 3.3Å; F277-T298 WeakPolarHBondContact CE2-OG1 3.41Å; T298-E300 VanDerWaalsContact C-N 3.29Å; T298-E300 PolarHBondContact O-N 3.02Å
299G88.9Confident91Very high82 Ų8273.1 Ų73.185%0.84540%0.402SS*.THydrogen-bonded Turntrans84.7-7-179.100000114.7Y297Y297-G299 PolarHBondContact O-N 3.05Å
300E95.3Very high88.1Confident61 Ų6178.6 Ų78.629%0.28543%0.429SS..  trans-75.7131.7170.5-69-176.3157.600110.9W284 L296 Y297 T298 F302W284-E300 WeakPolarHBondContact CZ2-O 3.4Å; L296-E300 PolarHBondContact N-OE2 3.45Å; Y297-E300 WeakPolarHBondContact CD2-OE1 3.41Å; Y297-E300 WeakPolarHBondContact CD2-OE2 3.32Å; Y297-E300 PolarHBondContact N-OE2 3.28Å; Y297-E300 WeakPolarHBondContact O-CB 3.46Å; Y297-E300 PolarHBondContact O-N 3.03Å; T298-E300 VanDerWaalsContact C-N 3.29Å; T298-E300 PolarHBondContact O-N 3.02Å; E300-F302 HydrophobicContact CB-CD2 4.48Å; E300-F302 HydrophobicContact CB-CE2 3.88Å; E300-F302 HydrophobicContact CB-CZ 4.36Å; E300-F302 HydrophobicContact CG-CE2 4.06Å; E300-F302 HydrophobicContact CG-CZ 4.2Å
301H96.6Very high87.8Confident104 Ų10481.5 Ų81.548%0.48144%0.44SS..  trans-149.189.4174-172175.9000108.7W284 H293W284-H301 AromaticContact CH2-CD2 3.76Å; H293-H301 WeakPolarHBondContact CB-NE2 2.95Å; H293-H301 AromaticContact CG-NE2 3.48Å; H293-H301 AromaticContact ND1-CD2 3.86Å; H293-H301 AromaticContact ND1-CE1 3.86Å; H293-H301 AromaticContact ND1-NE2 2.97Å; H293-H301 PolarHBondContact ND1-NE2 3.17Å
302F98.1Very high87.3Confident93 Ų9383.5 Ų83.541%0.40845%0.449SS..EExtended strand (participates in β ladder)trans-87.9153.1174.9-55.5-70.6000110.1H293 Y294 E300H293-F302 CarbonylContact C-O 3.58Å; H293-F302 VanDerWaalsContact CA-O 3.29Å; H293-F302 WeakPolarHBondContact CA-O 3.48Å; Y294-F302 HydrophobicContact CD1-CB 4.01Å; Y294-F302 HydrophobicContact CD2-CB 4Å; Y294-F302 AromaticContact CD2-CD2 3.93Å; Y294-F302 HydrophobicContact CD2-CD2 3.93Å; Y294-F302 HydrophobicContact CD2-CG 4.4Å; Y294-F302 HydrophobicContact CE1-CB 3.57Å; Y294-F302 HydrophobicContact CE2-CB 3.57Å; Y294-F302 AromaticContact CE2-CD2 3.64Å; Y294-F302 HydrophobicContact CE2-CD2 3.64Å; Y294-F302 AromaticContact CE2-CG 3.87Å; Y294-F302 HydrophobicContact CE2-CG 3.87Å; Y294-F302 HydrophobicContact CG-CB 4.21Å; Y294-F302 PolarHBondContact N-O 3.44Å; Y294-F302 PolarHBondContact O-N 3.2Å; E300-F302 HydrophobicContact CB-CD2 4.48Å; E300-F302 HydrophobicContact CB-CE2 3.88Å; E300-F302 HydrophobicContact CB-CZ 4.36Å; E300-F302 HydrophobicContact CG-CE2 4.06Å; E300-F302 HydrophobicContact CG-CZ 4.2Å
303T97.7Very high86.6Confident89 Ų8988.2 Ų88.255%0.54647%0.474SS..EExtended strand (participates in β ladder)trans-132.2147.8178.161.50000111.9T291 L292 H293T291-T303 HydrophobicContact CG2-CG2 4.47Å; L292-T303 CarbonylContact O-C 3.59Å; L292-T303 VanDerWaalsContact O-CA 3.22Å; L292-T303 WeakPolarHBondContact O-CA 3.38Å; H293-T303 WeakPolarHBondContact ND1-CG2 3.43Å
304Q96.4Very high85.9Confident93 Ų9391.8 Ų91.844%0.43550%0.495SS..EExtended strand (participates in β ladder)trans-146.5143.5174.9-171.1-174-4.200109L292L292-Q304 HydrophobicContact CB-CB 4.35Å; L292-Q304 WeakPolarHBondContact CB-O 3.38Å; L292-Q304 HydrophobicContact CD2-CB 4.45Å; L292-Q304 PolarHBondContact N-O 3.47Å; L292-Q304 PolarHBondContact O-N 3.25Å
305I95.6Very high85.1Confident127 Ų12793.8 Ų93.865%0.65151%0.511SS*.EExtended strand (participates in β ladder)trans-71137171.4-61.1173.4000108.8E307I305-E307 PolarHBondContact O-N 3.39Å
306I90.1Very high84.3Confident24 Ų24100.1 Ų100.112%0.12355%0.545CS..  trans-84106.5168.8-58.6174.7000105.8Y34 A287 G290 L292 D308Y34-I306 HydrophobicContact CD1-CD1 3.93Å; Y34-I306 HydrophobicContact CE1-CD1 4.25Å; A287-I306 HydrophobicContact CB-CD1 3.84Å; G290-I306 PolarHBondContact O-N 3.28Å; L292-I306 HydrophobicContact CB-CD1 4.28Å; L292-I306 HydrophobicContact CB-CG1 3.91Å; I306-D308 PolarHBondContact O-N 3.26Å
307E77.9Confident83.4Confident171 Ų171106.7 Ų106.780%0.79958%0.581SS**  trans-69125.9172-66.7176.4-176.400108.1I305 A309I305-E307 PolarHBondContact O-N 3.39Å; E307-A309 PolarHBondContact O-N 2.99Å
308D58.3Low82.4Confident106 Ų106108.5 Ų108.557%0.56760%0.601SS**  trans-60.3125.6173.9-69.5-36000108I306 H310I306-D308 PolarHBondContact O-N 3.26Å; D308-H310 VanDerWaalsContact C-N 3.34Å; D308-H310 PolarHBondContact O-N 3.06Å
309A51.2Low81.8Confident106 Ų106109 Ų10988%0.87660%0.599SS**  trans-65.999.6168.800000107.4E307E307-A309 PolarHBondContact O-N 2.99Å
310H35.1Very low81.1Confident252 Ų252111.5 Ų111.5100%1.16758%0.576SS**  trans-60.30172.6-68.8-41.4000112D308D308-H310 VanDerWaalsContact C-N 3.34Å; D308-H310 PolarHBondContact O-N 3.06Å

Retrieved 310 of 310 residues in 542.8 ms (Link to these results)

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