A0A3Q0KG87_SCHMA Loading...

Adenylosuccinate synthetase

Plays an important role in the de novo pathway and in the salvage pathway of purine nucleotide biosynthesis. Catalyzes the first commited step in the biosynthesis of AMP from IMP. Plays an important role in the de novo pathway of purine nucleotide biosynthesis.

AlphaFold DB , UniProt , Accession A0A3Q0KG87, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 433 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
1M35.2Very low62.1Low239 Ų23980.3 Ų80.3100%1.17744%0.436SS*.  0106.40-68.5178.1-162.600107.7K3M1-K3 PolarHBondContact O-N 2.68Å; M1-K3 VanDerWaalsContact O-N 3.16Å
2T34.4Very low65.1Low143 Ų14373.6 Ų73.688%0.87740%0.4SS*.  trans-60.9114.3163.434.30000106.2S4T2-S4 VanDerWaalsContact C-N 3.29Å; T2-S4 PolarHBondContact O-N 2.89Å
3K42.5Very low67.6Low158 Ų15867.9 Ų67.969%0.68737%0.369SS*.  trans-58.9103168.8-82-177.5176.2177.60105.3M1 V5M1-K3 PolarHBondContact O-N 2.68Å; M1-K3 VanDerWaalsContact O-N 3.16Å; K3-V5 PolarHBondContact O-N 3.41Å
4S43.2Very low69.7Low73 Ų7363.1 Ų63.151%0.5134%0.343SS..  trans-48.9129.7166.757.10000106.1T2 E6T2-S4 VanDerWaalsContact C-N 3.29Å; T2-S4 PolarHBondContact O-N 2.89Å; S4-E6 PolarHBondContact O-N 2.83Å
5V45.1Very low71.6Confident120 Ų12058.9 Ų58.973%0.72732%0.32SS*.  trans-56.290.7-177.8-174.20000108.5K3K3-V5 PolarHBondContact O-N 3.41Å
6E51.8Low73.1Confident64 Ų6455.3 Ų55.330%0.29930%0.3SS..PPolyproline II helixtrans-63.8158.6165.5-72.9164.4122.300107.1S4 L8 R263S4-E6 PolarHBondContact O-N 2.83Å; E6-L8 PolarHBondContact O-N 3.34Å; E6-R263 IonicContact OE1-CZ 2.85Å; E6-R263 VanDerWaalsContact OE1-CZ 3.26Å; E6-R263 IonicContact OE1-NH1 3.26Å; E6-R263 PolarHBondContact OE1-NH1 2.78Å; E6-R263 IonicContact OE1-NH2 3.73Å; E6-R263 PolarHBondContact OE1-NH2 3.15Å; E6-R263 IonicContact OE2-CZ 3.17Å; E6-R263 IonicContact OE2-NH1 3.58Å; E6-R263 PolarHBondContact OE2-NH1 3.13Å; E6-R263 IonicContact OE2-NH2 2.85Å
7G59.7Low74.3Confident9 Ų952.9 Ų52.99%0.09329%0.286CS..PPolyproline II helixtrans-46.6128.2-176.100000111.7V9 V216 S218 A221G7-V9 PolarHBondContact O-N 2.75Å; G7-V216 WeakPolarHBondContact CA-O 3.45Å; G7-V216 PolarHBondContact N-O 3.42Å; G7-S218 WeakPolarHBondContact CA-O 3.36Å; G7-A221 WeakPolarHBondContact CA-O 3.32Å
8L81.3Confident74.8Confident63 Ų6351.2 Ų51.233%0.3328%0.283SS..PPolyproline II helixtrans-78.5117.4-172.8-169102.1000109.2E6 S10 I223E6-L8 PolarHBondContact O-N 3.34Å; L8-S10 VanDerWaalsContact CD2-OG 3.28Å; L8-S10 WeakPolarHBondContact CD2-OG 3.39Å; L8-I223 PolarHBondContact O-N 3.01Å; L8-I223 VanDerWaalsContact O-N 3.11Å
9V94.8Very high75.4Confident1 Ų150.4 Ų50.41%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-89.3108167.8-1750000108.3G7 V11 V216 I223 V225 L259 R263 G265 R266G7-V9 PolarHBondContact O-N 2.75Å; V9-V11 HydrophobicContact CG1-CG2 4.45Å; V9-V216 HydrophobicContact CG2-CG1 4.25Å; V9-V216 HydrophobicContact CG2-CG2 3.67Å; V9-I223 CarbonylContact C-O 3.39Å; V9-I223 WeakPolarHBondContact CA-O 3.38Å; V9-I223 HydrophobicContact CG2-CB 4.31Å; V9-V225 HydrophobicContact CG1-CG2 3.77Å; V9-L259 HydrophobicContact CB-CD2 4.39Å; V9-L259 HydrophobicContact CG1-CD2 3.93Å; V9-L259 HydrophobicContact CG2-CD2 4.11Å; V9-R263 WeakPolarHBondContact CB-O 3.02Å; V9-R263 WeakPolarHBondContact CG2-O 3.06Å; V9-G265 CarbonylContact O-C 3.57Å; V9-G265 WeakPolarHBondContact O-CA 3.09Å; V9-G265 PolarHBondContact O-N 3.49Å; V9-R266 PolarHBondContact O-N 2.86Å
10S96.7Very high76.3Confident13 Ų1347.9 Ų47.99%0.09126%0.264CS..EExtended strand (participates in β ladder)trans-93.2145.2169.1-62.40000110.1L8 I223 L224 V225 R266L8-S10 VanDerWaalsContact CD2-OG 3.28Å; L8-S10 WeakPolarHBondContact CD2-OG 3.39Å; S10-I223 PolarHBondContact N-O 3.31Å; S10-L224 CarbonylContact O-C 3.29Å; S10-L224 WeakPolarHBondContact O-CA 3.43Å; S10-V225 PolarHBondContact O-N 3.22Å; S10-R266 CarbonylContact C-O 3.56Å; S10-R266 VanDerWaalsContact CA-O 3.26Å; S10-R266 WeakPolarHBondContact CA-O 3.32Å
11V97.9Very high77Confident0 Ų047.1 Ų47.10%027%0.267CS..EExtended strand (participates in β ladder)trans-124.3135.7-179.2-175.70000108.9V9 L13 V225 V253 V264 R266 V267 Y268V9-V11 HydrophobicContact CG1-CG2 4.45Å; V11-L13 HydrophobicContact CG1-CD1 4.17Å; V11-L13 HydrophobicContact CG1-CD2 4.02Å; V11-L13 HydrophobicContact CG1-CG 3.77Å; V11-V225 CarbonylContact C-O 3.31Å; V11-V225 WeakPolarHBondContact CA-O 3.36Å; V11-V225 HydrophobicContact CG1-CB 4.39Å; V11-V225 HydrophobicContact CG2-CB 4.24Å; V11-V225 HydrophobicContact CG2-CG2 4.46Å; V11-V253 HydrophobicContact CG1-CG2 3.68Å; V11-V253 HydrophobicContact CG2-CG1 4.23Å; V11-V253 HydrophobicContact CG2-CG2 4.42Å; V11-V264 HydrophobicContact CG2-CG1 3.91Å; V11-R266 PolarHBondContact N-O 3.05Å; V11-V267 HydrophobicContact CB-CG1 4.24Å; V11-V267 HydrophobicContact CB-CG2 4.35Å; V11-V267 HydrophobicContact CG1-CG1 4.41Å; V11-Y268 PolarHBondContact O-N 3.08Å
12V98.2Very high79.8Confident0 Ų035.9 Ų35.90%021%0.212CC..EExtended strand (participates in β ladder)trans-116.5115.7172.7175.40000108.7K22 L25 V26 L29 L224 V225 G227 Y268 V270V12-K22 HydrophobicContact CG1-CB 4.45Å; V12-K22 HydrophobicContact CG1-CG 4.46Å; V12-L25 HydrophobicContact CG1-CD2 3.97Å; V12-L25 HydrophobicContact CG2-CD2 4.04Å; V12-L25 HydrophobicContact CG2-CG 4.37Å; V12-V26 HydrophobicContact CB-CG2 4.08Å; V12-V26 HydrophobicContact CG1-CG2 4Å; V12-V26 HydrophobicContact CG2-CG2 4.33Å; V12-L29 HydrophobicContact CG2-CD1 3.75Å; V12-L224 HydrophobicContact CG2-CD1 3.81Å; V12-V225 PolarHBondContact N-O 2.81Å; V12-G227 PolarHBondContact O-N 3.47Å; V12-Y268 WeakPolarHBondContact CA-O 3.22Å; V12-V270 HydrophobicContact CG1-CG2 3.56Å
13L98.1Very high82.5Confident0 Ų029.2 Ų29.20%017%0.171CC..EExtended strand (participates in β ladder)trans-124149.1176.7-59174.1000109.6V11 V267 Y268 G269 V270 N327 F329V11-L13 HydrophobicContact CG1-CD1 4.17Å; V11-L13 HydrophobicContact CG1-CD2 4.02Å; V11-L13 HydrophobicContact CG1-CG 3.77Å; L13-V267 HydrophobicContact CD1-CG1 4.24Å; L13-Y268 PolarHBondContact N-O 3.07Å; L13-G269 CarbonylContact O-C 3.6Å; L13-G269 WeakPolarHBondContact O-CA 3.33Å; L13-V270 PolarHBondContact O-N 3.48Å; L13-N327 HydrophobicContact CD1-CB 4.37Å; L13-N327 VanDerWaalsContact CD1-OD1 3.23Å; L13-N327 WeakPolarHBondContact CD1-OD1 3.13Å; L13-F329 HydrophobicContact CB-CE1 4.19Å
14G97.5Very high84.7Confident0 Ų023.1 Ų23.10%015%0.145CC..EExtended strand (participates in β ladder)trans-86.9138.4170.700000109.5S230 C231 V270G14-S230 WeakPolarHBondContact CA-OG 3.46Å; G14-S230 WeakPolarHBondContact O-CA 3.49Å; G14-S230 VanDerWaalsContact O-CB 3.3Å; G14-S230 WeakPolarHBondContact O-CB 3.42Å; G14-C231 PolarHBondContact O-N 3.14Å; G14-V270 WeakPolarHBondContact CA-O 3.31Å
15A97.7Very high87.2Confident0 Ų019.8 Ų19.80%012%0.122CC..SBendtrans-967.6-177.200000113.4V270 I271 I320 A323 F329A15-V270 PolarHBondContact N-O 2.89Å; A15-I271 HydrophobicContact CB-CG2 3.71Å; A15-I320 HydrophobicContact CB-CG2 4.29Å; A15-A323 HydrophobicContact CB-CB 3.91Å; A15-F329 HydrophobicContact CB-CE2 3.71Å; A15-F329 HydrophobicContact CB-CZ 3.95Å
16Q95.8Very high89.5Confident2 Ų214.1 Ų14.11%0.0099%0.087CC..SBendtrans-126.1-134.5179-58.4168.4-67.300110.1E20 S230 M232 Y274 T275 I320Q16-E20 VanDerWaalsContact CA-OE1 3.27Å; Q16-E20 WeakPolarHBondContact CA-OE1 3.29Å; Q16-E20 HydrophobicContact CB-CG 3.93Å; Q16-E20 WeakPolarHBondContact CB-OE1 3.49Å; Q16-E20 HydrophobicContact CG-CG 4.32Å; Q16-E20 PolarHBondContact N-OE1 3.34Å; Q16-E20 VanDerWaalsContact N-OE1 3.08Å; Q16-E20 VanDerWaalsContact OE1-CG 3.28Å; Q16-S230 WeakPolarHBondContact O-CB 3.38Å; Q16-M232 VanDerWaalsContact O-CB 3.3Å; Q16-M232 WeakPolarHBondContact O-CB 3.38Å; Q16-M232 WeakPolarHBondContact O-CG 3.38Å; Q16-M232 PolarHBondContact O-N 3.2Å; Q16-Y274 PolarHBondContact NE2-O 3.42Å; Q16-T275 PolarHBondContact NE2-OG1 2.98Å; Q16-T275 VanDerWaalsContact NE2-OG1 3.16Å; Q16-I320 HydrophobicContact CG-CG1 4.39Å
17W92.8Very high91.4Very high14 Ų1411.5 Ų11.55%0.0538%0.075CC..SBendtrans-104.117.9-172.7-80.7-88.6000116.3E20 M232 L233 T239 T275 R277 V319 F364W17-E20 PolarHBondContact N-OE1 3.24Å; W17-M232 HydrophobicContact CD2-CB 3.55Å; W17-M232 HydrophobicContact CD2-CG 3.99Å; W17-M232 HydrophobicContact CE3-CB 4.23Å; W17-M232 HydrophobicContact CE3-CG 4.17Å; W17-M232 HydrophobicContact CG-CB 3.72Å; W17-M232 HydrophobicContact CH2-CE 4.42Å; W17-M232 HydrophobicContact CH2-CG 4.16Å; W17-M232 HydrophobicContact CZ2-CB 3.88Å; W17-M232 HydrophobicContact CZ2-CE 3.95Å; W17-M232 HydrophobicContact CZ2-CG 3.97Å; W17-M232 HydrophobicContact CZ3-CG 4.26Å; W17-L233 WeakPolarHBondContact O-CD1 3.23Å; W17-T239 HydrophobicContact CZ2-CG2 3.67Å; W17-T239 PolarHBondContact NE1-OG1 3.01Å; W17-T275 HydrophobicContact CE3-CG2 3.75Å; W17-T275 HydrophobicContact CZ3-CG2 3.74Å; W17-R277 HydrophobicContact CB-CG 4.42Å; W17-R277 HydrophobicContact CG-CG 4.19Å; W17-V319 HydrophobicContact CH2-CB 4.48Å; W17-V319 HydrophobicContact CH2-CG1 4.05Å; W17-V319 HydrophobicContact CH2-CG2 3.55Å; W17-V319 HydrophobicContact CZ3-CB 4.37Å; W17-V319 HydrophobicContact CZ3-CG1 3.79Å; W17-V319 HydrophobicContact CZ3-CG2 3.77Å; W17-F364 HydrophobicContact CH2-CE2 4.07Å; W17-F364 HydrophobicContact CH2-CZ 4.21Å; W17-F364 HydrophobicContact CZ2-CE2 4.35Å; W17-F364 HydrophobicContact CZ2-CZ 4.02Å
18G83.4Confident93Very high23 Ų2312.4 Ų12.424%0.2378%0.078CC..SBendtrans123.4-20.3165.200000116E20 K22 S230G18-E20 PolarHBondContact N-OE1 2.97Å; G18-K22 PolarHBondContact O-NZ 2.95Å; G18-S230 WeakPolarHBondContact CA-OG 3.49Å; G18-S230 VanDerWaalsContact N-CB 3.28Å; G18-S230 PolarHBondContact N-OG 3.49Å
19D86.6Confident93.6Very high35 Ų3510.5 Ų10.519%0.1877%0.068CC..  trans-114.839.2-168.8-172.161.8000113.8G21 K272 R310D19-G21 VanDerWaalsContact C-N 3.28Å; D19-G21 PolarHBondContact O-N 3.02Å; D19-K272 WeakPolarHBondContact O-CE 3.27Å; D19-K272 PolarHBondContact O-NZ 3.39Å; D19-K272 IonicContact OD2-NZ 3.62Å; D19-K272 PolarHBondContact OD2-NZ 3.01Å; D19-R310 IonicContact OD1-CZ 2.95Å; D19-R310 IonicContact OD1-NE 2.87Å; D19-R310 IonicContact OD1-NH1 3.03Å; D19-R310 IonicContact OD1-NH2 2.63Å; D19-R310 PolarHBondContact OD1-NH2 3.41Å; D19-R310 WeakPolarHBondContact OD2-CD 3.34Å; D19-R310 IonicContact OD2-CZ 3.57Å; D19-R310 IonicContact OD2-NE 3.28Å; D19-R310 PolarHBondContact OD2-NE 2.83Å; D19-R310 VanDerWaalsContact OD2-NE 3.08Å; D19-R310 IonicContact OD2-NH1 3.35Å; D19-R310 PolarHBondContact OD2-NH1 3.39Å; D19-R310 IonicContact OD2-NH2 2.71Å
20E93.6Very high93.5Very high1 Ų110.5 Ų10.51%0.0057%0.068CC..SBendtrans-87.12.6-174.2-47.985.4169.700112.9Q16 W17 G18 K22 S230 V270 T335Q16-E20 VanDerWaalsContact CA-OE1 3.27Å; Q16-E20 WeakPolarHBondContact CA-OE1 3.29Å; Q16-E20 HydrophobicContact CB-CG 3.93Å; Q16-E20 WeakPolarHBondContact CB-OE1 3.49Å; Q16-E20 HydrophobicContact CG-CG 4.32Å; Q16-E20 PolarHBondContact N-OE1 3.34Å; Q16-E20 VanDerWaalsContact N-OE1 3.08Å; Q16-E20 VanDerWaalsContact OE1-CG 3.28Å; W17-E20 PolarHBondContact N-OE1 3.24Å; G18-E20 PolarHBondContact N-OE1 2.97Å; E20-K22 IonicContact OE2-NZ 3.95Å; E20-K22 PolarHBondContact OE2-NZ 2.95Å; E20-S230 WeakPolarHBondContact OE1-CB 3.39Å; E20-S230 PolarHBondContact OE1-OG 3.39Å; E20-S230 PolarHBondContact OE2-OG 3.28Å; E20-V270 HydrophobicContact CB-CB 4.12Å; E20-V270 HydrophobicContact CB-CG1 3.8Å; E20-V270 WeakPolarHBondContact CB-O 3.4Å; E20-V270 WeakPolarHBondContact CG-O 3.3Å; E20-V270 WeakPolarHBondContact O-CG1 3.32Å; E20-T335 WeakPolarHBondContact O-CB 3.34Å; E20-T335 WeakPolarHBondContact O-CG2 3.43Å; E20-T335 PolarHBondContact O-OG1 2.74Å
21G90.9Very high93.2Very high31 Ų3116 Ų1632%0.329%0.092SC..  trans82.129.8-177.700000114.3D19 G23 K24D19-G21 VanDerWaalsContact C-N 3.28Å; D19-G21 PolarHBondContact O-N 3.02Å; G21-G23 VanDerWaalsContact C-N 3.27Å; G21-G23 PolarHBondContact O-N 3.45Å; G21-K24 WeakPolarHBondContact O-CB 3.42Å; G21-K24 PolarHBondContact O-N 3.47Å
22K93.2Very high92.9Very high3 Ų319.6 Ų19.61%0.01312%0.117CC..Hα-helixtrans-49.2-44.4178.6-70.4-178.6-70-72.30113.6V12 G18 E20 K24 L25 V26 H47 G227 S230 V270V12-K22 HydrophobicContact CG1-CB 4.45Å; V12-K22 HydrophobicContact CG1-CG 4.46Å; G18-K22 PolarHBondContact O-NZ 2.95Å; E20-K22 IonicContact OE2-NZ 3.95Å; E20-K22 PolarHBondContact OE2-NZ 2.95Å; K22-K24 PolarHBondContact O-N 2.78Å; K22-K24 VanDerWaalsContact O-N 3.14Å; K22-L25 PolarHBondContact O-N 3.01Å; K22-L25 VanDerWaalsContact O-N 3.07Å; K22-V26 WeakPolarHBondContact O-CG2 3.34Å; K22-V26 PolarHBondContact O-N 2.98Å; K22-H47 WeakPolarHBondContact CE-NE2 3.3Å; K22-G227 WeakPolarHBondContact CD-O 3.31Å; K22-G227 WeakPolarHBondContact CE-O 3.15Å; K22-S230 PolarHBondContact NZ-OG 2.95Å; K22-V270 HydrophobicContact CG-CB 4.05Å; K22-V270 HydrophobicContact CG-CG2 4Å
23G90.9Very high92.6Very high3 Ų320.4 Ų20.43%0.03112%0.123CC..Hα-helixtrans-53.7-34.9-179.500000113.2G21 V26 D27G21-G23 VanDerWaalsContact C-N 3.27Å; G21-G23 PolarHBondContact O-N 3.45Å; G23-V26 PolarHBondContact O-N 2.76Å; G23-D27 VanDerWaalsContact O-CB 3.32Å; G23-D27 WeakPolarHBondContact O-CB 3.46Å; G23-D27 PolarHBondContact O-N 3.32Å
24K90.4Very high92.4Very high30 Ų3022.2 Ų22.213%0.1314%0.135CC..Hα-helixtrans-68.4-43.5178.3-160.6-168.9-178.3-174.50112.6G21 K22 L28 G422 A423 S424 S427 I428G21-K24 WeakPolarHBondContact O-CB 3.42Å; G21-K24 PolarHBondContact O-N 3.47Å; K22-K24 PolarHBondContact O-N 2.78Å; K22-K24 VanDerWaalsContact O-N 3.14Å; K24-L28 PolarHBondContact O-N 2.84Å; K24-L28 VanDerWaalsContact O-N 3.09Å; K24-G422 PolarHBondContact NZ-O 3.36Å; K24-A423 WeakPolarHBondContact CE-O 3.24Å; K24-S424 VanDerWaalsContact CE-C 3.46Å; K24-S424 WeakPolarHBondContact CE-O 3.37Å; K24-S424 PolarHBondContact NZ-O 3.37Å; K24-S427 PolarHBondContact NZ-O 3.35Å; K24-I428 HydrophobicContact CD-CD1 3.77Å; K24-I428 HydrophobicContact CD-CG1 4.08Å; K24-I428 VanDerWaalsContact CE-CG1 3.49Å; K24-I428 HydrophobicContact CG-CD1 3.9Å
25L93.9Very high92.4Very high4 Ų422.3 Ų22.32%0.02114%0.136CC..Hα-helixtrans-69.4-39175.2-178.464.3000111V12 K22 L28 L29 V270 A333 W418V12-L25 HydrophobicContact CG1-CD2 3.97Å; V12-L25 HydrophobicContact CG2-CD2 4.04Å; V12-L25 HydrophobicContact CG2-CG 4.37Å; K22-L25 PolarHBondContact O-N 3.01Å; K22-L25 VanDerWaalsContact O-N 3.07Å; L25-L28 HydrophobicContact CD1-CD2 4.39Å; L25-L28 PolarHBondContact O-N 2.85Å; L25-L29 HydrophobicContact CD1-CD1 4.01Å; L25-L29 HydrophobicContact CD1-CG 3.99Å; L25-L29 HydrophobicContact CD2-CD1 4.28Å; L25-L29 HydrophobicContact CG-CD1 3.83Å; L25-L29 HydrophobicContact CG-CG 4.19Å; L25-L29 WeakPolarHBondContact O-CB 3.26Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.33Å; L25-L29 PolarHBondContact O-N 3.17Å; L25-V270 HydrophobicContact CB-CG2 4.37Å; L25-V270 HydrophobicContact CD2-CG2 3.67Å; L25-A333 HydrophobicContact CD1-CB 4.32Å; L25-A333 HydrophobicContact CD2-CB 3.79Å; L25-A333 HydrophobicContact CG-CB 4.47Å; L25-W418 HydrophobicContact CD1-CD2 3.63Å; L25-W418 HydrophobicContact CD1-CE3 3.96Å; L25-W418 HydrophobicContact CD1-CG 3.9Å; L25-W418 HydrophobicContact CD1-CZ2 4.31Å; L25-W418 HydrophobicContact CD1-CZ3 4.4Å; L25-W418 HydrophobicContact CD2-CE3 4.39Å; L25-W418 HydrophobicContact CD2-CZ3 4.48Å
26V94.8Very high92.4Very high0 Ų022.3 Ų22.30%014%0.136CC..Hα-helixtrans-61.8-45.6176.81710000110.9V12 K22 G23 L29 S30 V36 S63 L224 E226V12-V26 HydrophobicContact CB-CG2 4.08Å; V12-V26 HydrophobicContact CG1-CG2 4Å; V12-V26 HydrophobicContact CG2-CG2 4.33Å; K22-V26 WeakPolarHBondContact O-CG2 3.34Å; K22-V26 PolarHBondContact O-N 2.98Å; G23-V26 PolarHBondContact O-N 2.76Å; V26-L29 PolarHBondContact O-N 2.85Å; V26-S30 WeakPolarHBondContact O-CB 3.12Å; V26-S30 PolarHBondContact O-N 2.81Å; V26-S30 PolarHBondContact O-OG 2.86Å; V26-V36 HydrophobicContact CG1-CG1 4.16Å; V26-S63 WeakPolarHBondContact CG1-OG 3.35Å; V26-L224 HydrophobicContact CB-CD2 4.41Å; V26-L224 HydrophobicContact CG1-CD2 3.93Å; V26-E226 HydrophobicContact CG1-CB 4.47Å; V26-E226 HydrophobicContact CG2-CB 4.05Å; V26-E226 HydrophobicContact CG2-CG 3.95Å
27D91.7Very high92.5Very high9 Ų922.2 Ų22.25%0.04814%0.136CC..Hα-helixtrans-56.4-50.1173.8179.843.4000111.1G23 L29 S30 V49 V66 R425G23-D27 VanDerWaalsContact O-CB 3.32Å; G23-D27 WeakPolarHBondContact O-CB 3.46Å; G23-D27 PolarHBondContact O-N 3.32Å; D27-L29 PolarHBondContact O-N 3.05Å; D27-S30 PolarHBondContact O-N 2.97Å; D27-S30 PolarHBondContact O-OG 3.08Å; D27-V49 HydrophobicContact CB-CG1 3.84Å; D27-V66 WeakPolarHBondContact OD1-CG2 3.33Å; D27-R425 PolarHBondContact O-NH2 3.3Å; D27-R425 IonicContact OD1-NH1 3.98Å; D27-R425 WeakPolarHBondContact OD2-CD 3.04Å; D27-R425 IonicContact OD2-NE 2.98Å
28L92.5Very high92.8Very high28 Ų2821.7 Ų21.715%0.14713%0.134CC..Hα-helixtrans-55.2-50.9176.3-176.466.8000112.7K24 L25 S30 R425 I428 I430K24-L28 PolarHBondContact O-N 2.84Å; K24-L28 VanDerWaalsContact O-N 3.09Å; L25-L28 HydrophobicContact CD1-CD2 4.39Å; L25-L28 PolarHBondContact O-N 2.85Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-S30 PolarHBondContact O-N 3.34Å; L28-R425 VanDerWaalsContact CA-NH2 3.34Å; L28-R425 PolarHBondContact O-NH2 3.45Å; L28-R425 VanDerWaalsContact O-NH2 3.14Å; L28-I428 HydrophobicContact CD2-CD1 4.05Å; L28-I428 HydrophobicContact CD2-CG2 4.16Å; L28-I430 HydrophobicContact CD2-CD1 4.28Å
29L93.5Very high93.4Very high23 Ų2320.6 Ų20.612%0.1212%0.122CC..Hα-helixtrans-73.6-26.9-176.1-66.5179.2000112.8V12 L25 V26 D27 E31 S32 C33 L224 Y268 W418V12-L29 HydrophobicContact CG2-CD1 3.75Å; L25-L29 HydrophobicContact CD1-CD1 4.01Å; L25-L29 HydrophobicContact CD1-CG 3.99Å; L25-L29 HydrophobicContact CD2-CD1 4.28Å; L25-L29 HydrophobicContact CG-CD1 3.83Å; L25-L29 HydrophobicContact CG-CG 4.19Å; L25-L29 WeakPolarHBondContact O-CB 3.26Å; L25-L29 VanDerWaalsContact O-CG 3.32Å; L25-L29 WeakPolarHBondContact O-CG 3.33Å; L25-L29 PolarHBondContact O-N 3.17Å; V26-L29 PolarHBondContact O-N 2.85Å; D27-L29 PolarHBondContact O-N 3.05Å; L29-E31 PolarHBondContact O-N 3.24Å; L29-S32 PolarHBondContact O-N 2.8Å; L29-S32 VanDerWaalsContact O-N 3.14Å; L29-S32 PolarHBondContact O-OG 3.41Å; L29-C33 PolarHBondContact O-SG 2.59Å; L29-L224 HydrophobicContact CB-CD1 4.28Å; L29-L224 HydrophobicContact CB-CD2 3.81Å; L29-L224 HydrophobicContact CD1-CD1 4.12Å; L29-Y268 HydrophobicContact CD1-CD2 3.85Å; L29-Y268 HydrophobicContact CD1-CE2 4.09Å; L29-W418 HydrophobicContact CD2-CH2 4.48Å; L29-W418 HydrophobicContact CD2-CZ2 3.84Å
30S92.9Very high94Very high1 Ų119.2 Ų19.21%0.00712%0.115CC..Hα-helixtrans-63.2-22.5-177.9750000113.5V26 D27 L28 S32 C33 N67V26-S30 WeakPolarHBondContact O-CB 3.12Å; V26-S30 PolarHBondContact O-N 2.81Å; V26-S30 PolarHBondContact O-OG 2.86Å; D27-S30 PolarHBondContact O-N 2.97Å; D27-S30 PolarHBondContact O-OG 3.08Å; L28-S30 VanDerWaalsContact C-N 3.34Å; L28-S30 PolarHBondContact O-N 3.34Å; S30-S32 PolarHBondContact O-N 2.75Å; S30-C33 PolarHBondContact O-N 3.02Å; S30-C33 VanDerWaalsContact O-N 3.13Å; S30-N67 PolarHBondContact O-ND2 2.8Å
31E91.4Very high94.1Very high128 Ų12819.1 Ų19.160%0.59811%0.114SC*.THydrogen-bonded Turntrans-59.8-32.2174.5-96.7179.6-168.900113.3L29 R425L29-E31 PolarHBondContact O-N 3.24Å; E31-R425 VanDerWaalsContact CD-NH1 3.34Å; E31-R425 IonicContact OE1-CZ 2.65Å; E31-R425 IonicContact OE1-NE 3.72Å; E31-R425 IonicContact OE1-NH1 3.78Å; E31-R425 PolarHBondContact OE1-NH1 2.68Å; E31-R425 IonicContact OE1-NH2 2.85Å; E31-R425 PolarHBondContact OE1-NH2 2.72Å; E31-R425 IonicContact OE2-CZ 2.73Å; E31-R425 IonicContact OE2-NH2 3.13Å; E31-R425 PolarHBondContact OE2-NH2 3.32Å
32S90.3Very high94.4Very high76 Ų7617.7 Ų17.753%0.53110%0.1SC..THydrogen-bonded Turntrans-97.55.7-179.866.70000113.2L29 S30 N222L29-S32 PolarHBondContact O-N 2.8Å; L29-S32 VanDerWaalsContact O-N 3.14Å; L29-S32 PolarHBondContact O-OG 3.41Å; S30-S32 PolarHBondContact O-N 2.75Å; S32-N222 WeakPolarHBondContact O-CB 3.41Å; S32-N222 PolarHBondContact O-ND2 3.48Å
33C93.4Very high94.6Very high17 Ų1718 Ų1812%0.11510%0.101CC..  trans-113.8150.6-174.5-62.40000112L29 S30 V70 N222 L224L29-C33 PolarHBondContact O-SG 2.59Å; S30-C33 PolarHBondContact O-N 3.02Å; S30-C33 VanDerWaalsContact O-N 3.13Å; C33-V70 WeakPolarHBondContact O-CG2 3.39Å; C33-N222 HydrophobicContact CB-CB 4.47Å; C33-L224 HydrophobicContact CB-CB 4.28Å
34S94Very high94.7Very high38 Ų3819.2 Ų19.227%0.26611%0.107SC..SBendtrans-100.1-21.5175.459.70000112.5L71 A221 N222S34-L71 PolarHBondContact O-N 3.26Å; S34-A221 VanDerWaalsContact OG-CA 3.27Å; S34-A221 WeakPolarHBondContact OG-CA 3.28Å; S34-N222 PolarHBondContact N-O 3.3Å; S34-N222 PolarHBondContact OG-N 2.63Å; S34-N222 PolarHBondContact OG-O 3.32Å
35V96.6Very high94.7Very high3 Ų318 Ų182%0.01810%0.103CC..EExtended strand (participates in β ladder)trans-140.7133.4-174.4-172.50000108.8L71 V73 I212 L215 N222 I223 L224V35-L71 CarbonylContact C-O 3.6Å; V35-L71 VanDerWaalsContact CA-O 3.26Å; V35-L71 WeakPolarHBondContact CA-O 3.3Å; V35-L71 HydrophobicContact CG2-CB 4.4Å; V35-L71 HydrophobicContact CG2-CD2 4.5Å; V35-V73 HydrophobicContact CG1-CG2 3.81Å; V35-I212 HydrophobicContact CG1-CD1 4.31Å; V35-L215 HydrophobicContact CG1-CD1 4.47Å; V35-L215 HydrophobicContact CG2-CD1 3.91Å; V35-L215 HydrophobicContact CG2-CD2 4.38Å; V35-N222 PolarHBondContact N-O 2.95Å; V35-I223 HydrophobicContact CB-CG1 4.13Å; V35-I223 HydrophobicContact CB-CG2 4.34Å; V35-I223 HydrophobicContact CG1-CG2 4.39Å; V35-I223 HydrophobicContact CG2-CG1 4.38Å; V35-I223 WeakPolarHBondContact O-CA 3.36Å; V35-L224 PolarHBondContact O-N 3.27Å
36V97.6Very high94.5Very high0 Ų018.9 Ų18.90%011%0.113CC..EExtended strand (participates in β ladder)trans-124128.6172.9-175.70000108.8V26 P62 V70 L71 A72 V73 L224V26-V36 HydrophobicContact CG1-CG1 4.16Å; V36-P62 HydrophobicContact CB-CB 4.23Å; V36-P62 HydrophobicContact CG1-CB 3.71Å; V36-V70 HydrophobicContact CB-CG1 3.77Å; V36-V70 HydrophobicContact CG2-CB 4.45Å; V36-V70 HydrophobicContact CG2-CG1 3.44Å; V36-V70 VanDerWaalsContact CG2-CG1 3.44Å; V36-V70 HydrophobicContact CG2-CG2 4.16Å; V36-L71 PolarHBondContact N-O 2.9Å; V36-A72 CarbonylContact O-C 3.52Å; V36-A72 WeakPolarHBondContact O-CA 3.46Å; V36-V73 PolarHBondContact O-N 3.27Å; V36-L224 CarbonylContact C-O 3.54Å; V36-L224 VanDerWaalsContact CA-O 3.28Å; V36-L224 WeakPolarHBondContact CA-O 3.37Å; V36-L224 HydrophobicContact CG2-CB 4.17Å; V36-L224 HydrophobicContact CG2-CD2 4.36Å
37C98.3Very high94.4Very high0 Ų019.4 Ų19.40%012%0.115CC..EExtended strand (participates in β ladder)trans-119.1141.9-171.9-54.10000111.7V73 I212 L224 V225 E226 L257C37-V73 CarbonylContact C-O 3.57Å; C37-V73 VanDerWaalsContact CA-O 3.24Å; C37-V73 WeakPolarHBondContact CA-O 3.29Å; C37-V73 HydrophobicContact CB-CB 4.45Å; C37-I212 VanDerWaalsContact SG-CD1 3.54Å; C37-L224 PolarHBondContact N-O 3.47Å; C37-V225 HydrophobicContact CB-CG2 4.36Å; C37-E226 PolarHBondContact O-N 3.26Å; C37-L257 HydrophobicContact CB-CD1 4.06Å; C37-L257 HydrophobicContact CB-CD2 3.93Å
38R98Very high94.2Very high3 Ų321.2 Ų21.21%0.01113%0.127CC..EExtended strand (participates in β ladder)trans-104.7139.1158.3-81-166.1172.9-157.89.6110.2H47 F58 H59 L60 L61 P62 V73 G75 V78 E226R38-H47 PolarHBondContact NH2-ND1 3.16Å; R38-F58 PolarHBondContact NH2-O 3.27Å; R38-H59 PolarHBondContact NH1-O 2.96Å; R38-L60 WeakPolarHBondContact CD-O 3.45Å; R38-L61 PolarHBondContact NE-O 2.94Å; R38-P62 HydrophobicContact CB-CG 4.32Å; R38-P62 HydrophobicContact CG-CB 4.12Å; R38-P62 HydrophobicContact CG-CG 4.05Å; R38-V73 PolarHBondContact N-O 2.91Å; R38-G75 WeakPolarHBondContact O-CA 3.29Å; R38-G75 PolarHBondContact O-N 3.11Å; R38-V78 HydrophobicContact CB-CG2 4.15Å; R38-E226 HydrophobicContact CG-CB 4.49Å; R38-E226 HydrophobicContact CG-CG 4.49Å; R38-E226 IonicContact CZ-OE1 2.78Å; R38-E226 IonicContact NE-OE1 3.58Å; R38-E226 PolarHBondContact NE-OE1 3.02Å; R38-E226 IonicContact NH2-OE1 3.08Å; R38-E226 PolarHBondContact NH2-OE1 2.78Å
39C97.6Very high94.1Very high0 Ų020 Ų200%012%0.121CC..  trans-120.7-14.9-17166.60000115G77 V225 G256 L257C39-G77 CarbonylContact O-C 3.5Å; C39-G77 VanDerWaalsContact O-C 3.31Å; C39-G77 WeakPolarHBondContact O-CA 3.48Å; C39-V225 HydrophobicContact CB-CG1 4.13Å; C39-G256 VanDerWaalsContact O-CA 3.26Å; C39-G256 WeakPolarHBondContact O-CA 3.37Å; C39-L257 HydrophobicContact CB-CD1 4.19Å; C39-L257 HydrophobicContact CB-CD2 4.05Å; C39-L257 HydrophobicContact CB-CG 3.73Å
40Q97.6Very high93.7Very high5 Ų522.4 Ų22.42%0.02314%0.136CC..SBendtrans-150171.7-175.476.4-77.464.100112A228 N247Q40-A228 WeakPolarHBondContact O-CB 3.26Å; Q40-N247 WeakPolarHBondContact CB-O 3.35Å; Q40-N247 VanDerWaalsContact CG-O 3.32Å; Q40-N247 WeakPolarHBondContact CG-O 3.31Å
41G96.7Very high93.2Very high0 Ų023.7 Ų23.70%015%0.146CC..  trans78.6-156.3176.200000112.4V78 V79 Y144 S246G41-V78 CarbonylContact O-C 3.58Å; G41-V78 WeakPolarHBondContact O-CA 3.47Å; G41-V78 WeakPolarHBondContact O-CG1 3.08Å; G41-V79 PolarHBondContact O-N 2.94Å; G41-Y144 PolarHBondContact N-OH 2.83Å; G41-Y144 PolarHBondContact O-OH 3.25Å; G41-S246 PolarHBondContact N-OG 3.15Å
42G97.4Very high92.7Very high1 Ų121.8 Ų21.81%0.0116%0.162CC..  trans-162.9-152.3174.200000109.2N44 A45 V79G42-N44 PolarHBondContact N-OD1 2.82Å; G42-N44 VanDerWaalsContact N-OD1 3.14Å; G42-N44 PolarHBondContact O-N 3.4Å; G42-N44 PolarHBondContact O-OD1 3.24Å; G42-A45 PolarHBondContact O-N 3.19Å; G42-V79 WeakPolarHBondContact CA-O 3.36Å
43N96.5Very high92.5Very high8 Ų821.8 Ų21.84%0.04317%0.173CC..THydrogen-bonded Turntrans-73.92018067-45.4000114.5H59 L60 A84 I140N43-H59 HydrophobicContact CB-CB 4.05Å; N43-L60 HydrophobicContact CB-CD1 4.12Å; N43-L60 HydrophobicContact CB-CD2 4.26Å; N43-L60 HydrophobicContact CB-CG 3.9Å; N43-A84 HydrophobicContact CB-CB 4.21Å; N43-A84 WeakPolarHBondContact ND2-CB 3.29Å; N43-I140 WeakPolarHBondContact OD1-CD1 3.31Å
44N94Very high92.2Very high29 Ų2925.1 Ų25.116%0.15519%0.187CC..THydrogen-bonded Turntrans-86.7-25.516859.5-33.2000113.2G42 T136 I140 Q229 T244G42-N44 PolarHBondContact N-OD1 2.82Å; G42-N44 VanDerWaalsContact N-OD1 3.14Å; G42-N44 PolarHBondContact O-N 3.4Å; G42-N44 PolarHBondContact O-OD1 3.24Å; N44-T136 HydrophobicContact CB-CG2 3.7Å; N44-T136 VanDerWaalsContact CB-OG1 3.32Å; N44-T136 WeakPolarHBondContact CB-OG1 3.41Å; N44-I140 HydrophobicContact CB-CG1 3.71Å; N44-Q229 PolarHBondContact ND2-NE2 3.23Å; N44-Q229 PolarHBondContact OD1-NE2 2.83Å; N44-T244 PolarHBondContact ND2-OG1 2.63Å
45A90.9Very high92Very high6 Ų627.7 Ų27.75%0.0520%0.195CC..  trans-75.7162169.500000111G42 H59 A228 Q229G42-A45 PolarHBondContact O-N 3.19Å; A45-H59 PolarHBondContact O-ND1 3.44Å; A45-A228 HydrophobicContact CB-CB 3.85Å; A45-A228 WeakPolarHBondContact CB-O 3.47Å; A45-Q229 HydrophobicContact CB-CG 4.33Å
46G89.7Confident91.8Very high22 Ų2228.1 Ų28.123%0.22720%0.196CC..  trans-155.9119.6174.600000110.6F58G46-F58 CarbonylContact C-O 3.52Å; G46-F58 WeakPolarHBondContact CA-O 3.47Å
47H91Very high91.6Very high10 Ų1031.1 Ų31.15%0.04621%0.209CC..EExtended strand (participates in β ladder)trans-115.6127.7178.2-67.6175.3000110.1K22 R38 F58 E226 G227 A228K22-H47 WeakPolarHBondContact CE-NE2 3.3Å; R38-H47 PolarHBondContact NH2-ND1 3.16Å; H47-F58 PolarHBondContact N-O 3.5Å; H47-F58 PolarHBondContact O-N 3.27Å; H47-E226 IonicContact CE1-OE1 3.59Å; H47-E226 PolarHBondContact CE1-OE1 3.15Å; H47-E226 VanDerWaalsContact CE1-OE1 3.28Å; H47-E226 IonicContact CG-OE1 3.91Å; H47-E226 IonicContact ND1-OE1 2.73Å; H47-E226 PolarHBondContact ND1-OE1 3.49Å; H47-G227 PolarHBondContact CE1-O 3.33Å; H47-G227 VanDerWaalsContact CE1-O 3.29Å; H47-A228 PolarHBondContact NE2-O 3.05Å
48T88.9Confident91.4Very high48 Ų4831.2 Ų31.229%0.29421%0.21SC..EExtended strand (participates in β ladder)trans-95133.1175.8-57.10000110.1E55 Y56 F57T48-E55 HydrophobicContact CG2-CG 3.63Å; T48-E55 WeakPolarHBondContact CG2-OE1 3.4Å; T48-Y56 WeakPolarHBondContact CA-O 3.33Å; T48-F57 HydrophobicContact CG2-CD1 4.16Å; T48-F57 HydrophobicContact CG2-CE1 3.87Å; T48-F57 WeakPolarHBondContact OG1-CD1 3.36Å; T48-F57 WeakPolarHBondContact OG1-CE1 3.14Å
49V88.9Confident91.3Very high3 Ų333.3 Ų33.32%0.01822%0.219CC..EExtended strand (participates in β ladder)trans-131.6137.3172.3179.30000109.2D27 Y56 F58 V66D27-V49 HydrophobicContact CB-CG1 3.84Å; V49-Y56 PolarHBondContact N-O 2.82Å; V49-Y56 PolarHBondContact O-N 2.93Å; V49-F58 HydrophobicContact CB-CE2 4.28Å; V49-F58 HydrophobicContact CG2-CD2 4.37Å; V49-F58 HydrophobicContact CG2-CE2 4.4Å; V49-V66 HydrophobicContact CB-CG1 4.5Å; V49-V66 HydrophobicContact CG1-CG1 4.17Å; V49-V66 HydrophobicContact CG1-CG2 4.12Å
50V85.7Confident91.4Very high73 Ų7333.3 Ų33.344%0.44222%0.22SC..EExtended strand (participates in β ladder)trans-109.8113.1176.2-178.10000108.7Q54 E55V50-Q54 CarbonylContact C-O 3.53Å; V50-Q54 WeakPolarHBondContact CA-O 3.39Å; V50-E55 HydrophobicContact CG2-CG 4.33Å
51A83.7Confident91.4Very high27 Ų2733.1 Ų33.122%0.22322%0.219CC..EExtended strand (participates in β ladder)trans-140.2134.2-177.400000110.8G53 Q54 Y56 V66A51-G53 PolarHBondContact O-N 2.96Å; A51-Q54 PolarHBondContact N-O 3.38Å; A51-Q54 PolarHBondContact O-N 3.35Å; A51-Y56 HydrophobicContact CB-CE2 4.24Å; A51-V66 HydrophobicContact CB-CB 4.31Å
52G80.7Confident91.4Very high89 Ų8933.1 Ų33.192%0.91822%0.219SC*.THydrogen-bonded Turntrans59.430.3179.200000114.3Q54G52-Q54 PolarHBondContact O-N 3.42Å
53G84.7Confident91.3Very high75 Ų7533 Ų3377%0.77322%0.218SC*.THydrogen-bonded Turntrans76.23.7-175.100000114.9A51A51-G53 PolarHBondContact O-N 2.96Å
54Q88.2Confident91.2Very high88 Ų8832.7 Ų32.741%0.41122%0.216SC..EExtended strand (participates in β ladder)trans-108.6144.7178.4-64.7-66.2-13.800111.4V50 A51 G52 Y56V50-Q54 CarbonylContact C-O 3.53Å; V50-Q54 WeakPolarHBondContact CA-O 3.39Å; A51-Q54 PolarHBondContact N-O 3.38Å; A51-Q54 PolarHBondContact O-N 3.35Å; G52-Q54 PolarHBondContact O-N 3.42Å; Q54-Y56 HydrophobicContact CB-CD2 4.42Å; Q54-Y56 HydrophobicContact CB-CE2 3.64Å
55E90.1Very high91.3Very high91 Ų9131.3 Ų31.343%0.42521%0.209SC..EExtended strand (participates in β ladder)trans-101.2122.3174.1-171.1178.8-157.800110.2T48 V50 F57 K95T48-E55 HydrophobicContact CG2-CG 3.63Å; T48-E55 WeakPolarHBondContact CG2-OE1 3.4Å; V50-E55 HydrophobicContact CG2-CG 4.33Å; E55-F57 HydrophobicContact CG-CE1 4.15Å; E55-F57 HydrophobicContact CG-CE2 4.04Å; E55-F57 HydrophobicContact CG-CZ 3.7Å; E55-F57 WeakPolarHBondContact OE1-CZ 3.35Å; E55-F57 WeakPolarHBondContact OE2-CZ 3.43Å; E55-K95 WeakPolarHBondContact O-CD 3.34Å; E55-K95 PolarHBondContact O-NZ 3.24Å
56Y92.4Very high91.5Very high13 Ų1331.8 Ų31.85%0.05121%0.211CC..EExtended strand (participates in β ladder)trans-110.3137.9178.5-59.5-85.9000110.5T48 V49 A51 Q54 F58 V66 K95 L97T48-Y56 WeakPolarHBondContact CA-O 3.33Å; V49-Y56 PolarHBondContact N-O 2.82Å; V49-Y56 PolarHBondContact O-N 2.93Å; A51-Y56 HydrophobicContact CB-CE2 4.24Å; Q54-Y56 HydrophobicContact CB-CD2 4.42Å; Q54-Y56 HydrophobicContact CB-CE2 3.64Å; Y56-F58 VanDerWaalsContact CB-CZ 3.44Å; Y56-F58 HydrophobicContact CD1-CZ 4.23Å; Y56-F58 HydrophobicContact CG-CE2 4.22Å; Y56-F58 AromaticContact CG-CZ 3.94Å; Y56-F58 HydrophobicContact CG-CZ 3.94Å; Y56-V66 HydrophobicContact CD2-CG1 4.07Å; Y56-V66 HydrophobicContact CG-CG1 4.38Å; Y56-K95 HydrophobicContact CD1-CB 4.2Å; Y56-K95 HydrophobicContact CD1-CD 4.11Å; Y56-K95 HydrophobicContact CE1-CB 3.47Å; Y56-K95 VanDerWaalsContact CE1-CB 3.47Å; Y56-K95 HydrophobicContact CE1-CD 4.19Å; Y56-K95 HydrophobicContact CE1-CG 4.49Å; Y56-K95 PolarHBondContact OH-O 3.4Å; Y56-L97 HydrophobicContact CD1-CD1 4.13Å; Y56-L97 HydrophobicContact CD1-CG 4.14Å; Y56-L97 HydrophobicContact CE1-CD1 4.03Å; Y56-L97 HydrophobicContact CE1-CD2 4.03Å; Y56-L97 HydrophobicContact CE1-CG 3.52Å; Y56-L97 HydrophobicContact CE2-CD2 4.3Å
57F92.5Very high91.6Very high63 Ų6331.8 Ų31.828%0.27621%0.206SC..EExtended strand (participates in β ladder)trans-117109.8177.4-59-78.3000108.9T48 E55 V304T48-F57 HydrophobicContact CG2-CD1 4.16Å; T48-F57 HydrophobicContact CG2-CE1 3.87Å; T48-F57 WeakPolarHBondContact OG1-CD1 3.36Å; T48-F57 WeakPolarHBondContact OG1-CE1 3.14Å; E55-F57 HydrophobicContact CG-CE1 4.15Å; E55-F57 HydrophobicContact CG-CE2 4.04Å; E55-F57 HydrophobicContact CG-CZ 3.7Å; E55-F57 WeakPolarHBondContact OE1-CZ 3.35Å; E55-F57 WeakPolarHBondContact OE2-CZ 3.43Å; F57-V304 HydrophobicContact CD1-CG1 3.69Å; F57-V304 HydrophobicContact CE1-CG1 4.34Å; F57-V304 HydrophobicContact CG-CG1 4.42Å
58F95.3Very high91.7Very high1 Ų135.4 Ų35.40%0.00423%0.23CC..EExtended strand (participates in β ladder)trans-107123.8-175.1-60.8-67.6000112.4R38 G46 H47 V49 Y56 L61 I65 V66 E88 A92 L97R38-F58 PolarHBondContact NH2-O 3.27Å; G46-F58 CarbonylContact C-O 3.52Å; G46-F58 WeakPolarHBondContact CA-O 3.47Å; H47-F58 PolarHBondContact N-O 3.5Å; H47-F58 PolarHBondContact O-N 3.27Å; V49-F58 HydrophobicContact CB-CE2 4.28Å; V49-F58 HydrophobicContact CG2-CD2 4.37Å; V49-F58 HydrophobicContact CG2-CE2 4.4Å; Y56-F58 VanDerWaalsContact CB-CZ 3.44Å; Y56-F58 HydrophobicContact CD1-CZ 4.23Å; Y56-F58 HydrophobicContact CG-CE2 4.22Å; Y56-F58 AromaticContact CG-CZ 3.94Å; Y56-F58 HydrophobicContact CG-CZ 3.94Å; F58-L61 WeakPolarHBondContact CB-O 3.44Å; F58-L61 HydrophobicContact CD1-CB 3.79Å; F58-L61 HydrophobicContact CD1-CD1 4.14Å; F58-L61 HydrophobicContact CD1-CG 4.49Å; F58-L61 HydrophobicContact CE1-CB 4.38Å; F58-L61 HydrophobicContact CE1-CD1 4.18Å; F58-I65 HydrophobicContact CE1-CG2 3.83Å; F58-I65 HydrophobicContact CZ-CG2 3.93Å; F58-V66 HydrophobicContact CE2-CG1 3.53Å; F58-V66 HydrophobicContact CZ-CG1 3.56Å; F58-E88 WeakPolarHBondContact CA-OE1 3.38Å; F58-A92 HydrophobicContact CE1-CB 4.46Å; F58-L97 HydrophobicContact CE1-CD1 4.22Å; F58-L97 HydrophobicContact CZ-CD1 3.89Å
59H95.9Very high91.9Very high47 Ų4739.6 Ų39.622%0.21825%0.251CS..SBendtrans-107.8-43.3-178.5-67.3-66.1000112R38 N43 A45 E88 T305R38-H59 PolarHBondContact NH1-O 2.96Å; N43-H59 HydrophobicContact CB-CB 4.05Å; A45-H59 PolarHBondContact O-ND1 3.44Å; H59-E88 VanDerWaalsContact N-CD 3.31Å; H59-E88 PolarHBondContact N-OE1 3.44Å; H59-E88 PolarHBondContact N-OE2 3.1Å; H59-T305 PolarHBondContact CE1-OG1 3.21Å
60L98Very high92.2Very high1 Ų139.5 Ų39.51%0.00525%0.25CS..SBendtrans-118.5-33178.1-71.5168.3000112.1R38 N43 I74 V78 V80 A84 L85 E88R38-L60 WeakPolarHBondContact CD-O 3.45Å; N43-L60 HydrophobicContact CB-CD1 4.12Å; N43-L60 HydrophobicContact CB-CD2 4.26Å; N43-L60 HydrophobicContact CB-CG 3.9Å; L60-I74 HydrophobicContact CB-CD1 4.36Å; L60-I74 WeakPolarHBondContact O-CD1 3.15Å; L60-V78 HydrophobicContact CD2-CG1 4.04Å; L60-V80 HydrophobicContact CD1-CG1 4.44Å; L60-A84 HydrophobicContact CD1-CB 4.4Å; L60-L85 HydrophobicContact CB-CD1 4.16Å; L60-L85 HydrophobicContact CD1-CB 3.81Å; L60-L85 HydrophobicContact CD1-CD1 4.42Å; L60-E88 WeakPolarHBondContact CB-OE2 3.25Å; L60-E88 PolarHBondContact N-OE1 3.06Å; L60-E88 PolarHBondContact N-OE2 2.99Å
61L97.7Very high92.7Very high0 Ų038 Ų380%024%0.239CC..SBendtrans-68.6136.4177.1-59.6178.9000109.2R38 F58 S63 I65 L85 E88 I89 V100 L104R38-L61 PolarHBondContact NE-O 2.94Å; F58-L61 WeakPolarHBondContact CB-O 3.44Å; F58-L61 HydrophobicContact CD1-CB 3.79Å; F58-L61 HydrophobicContact CD1-CD1 4.14Å; F58-L61 HydrophobicContact CD1-CG 4.49Å; F58-L61 HydrophobicContact CE1-CB 4.38Å; F58-L61 HydrophobicContact CE1-CD1 4.18Å; L61-S63 PolarHBondContact O-N 2.81Å; L61-I65 HydrophobicContact CB-CG2 4.35Å; L61-L85 HydrophobicContact CD2-CD1 3.93Å; L61-E88 WeakPolarHBondContact CB-OE1 3.45Å; L61-E88 HydrophobicContact CD1-CG 3.96Å; L61-E88 HydrophobicContact CG-CG 4.08Å; L61-E88 WeakPolarHBondContact CG-OE1 3.46Å; L61-E88 PolarHBondContact N-OE1 2.94Å; L61-I89 HydrophobicContact CD1-CG1 4.21Å; L61-I89 HydrophobicContact CD2-CG1 4.17Å; L61-V100 HydrophobicContact CD1-CG1 4.15Å; L61-L104 HydrophobicContact CD2-CD1 3.97Å; L61-L104 HydrophobicContact CD2-CD2 3.56Å; L61-L104 HydrophobicContact CD2-CG 4.39Å
62P97.3Very high93.4Very high0 Ų036.7 Ų36.70%023%0.229CC..  trans-58.3127.6165.4-17.428.7000109.5V36 R38 G64 I65 A72 E226V36-P62 HydrophobicContact CB-CB 4.23Å; V36-P62 HydrophobicContact CG1-CB 3.71Å; R38-P62 HydrophobicContact CB-CG 4.32Å; R38-P62 HydrophobicContact CG-CB 4.12Å; R38-P62 HydrophobicContact CG-CG 4.05Å; P62-G64 PolarHBondContact O-N 3.16Å; P62-G64 VanDerWaalsContact O-N 3.15Å; P62-I65 VanDerWaalsContact O-CB 3.31Å; P62-I65 WeakPolarHBondContact O-CB 3.36Å; P62-I65 VanDerWaalsContact O-CG2 3.23Å; P62-I65 WeakPolarHBondContact O-CG2 3.4Å; P62-I65 PolarHBondContact O-N 2.83Å; P62-A72 HydrophobicContact CG-CB 4.07Å; P62-E226 VanDerWaalsContact CA-OE2 3.31Å; P62-E226 WeakPolarHBondContact CA-OE2 3.37Å
63S95.6Very high94.2Very high0 Ų032.4 Ų32.40%019%0.185CC..G310 helixtrans-65.9-23.2-169.473.30000112.8V26 L61 I65 V66 E226V26-S63 WeakPolarHBondContact CG1-OG 3.35Å; L61-S63 PolarHBondContact O-N 2.81Å; S63-I65 PolarHBondContact O-N 2.96Å; S63-V66 WeakPolarHBondContact O-CG2 3.41Å; S63-E226 PolarHBondContact N-OE1 3.01Å; S63-E226 PolarHBondContact N-OE2 3.27Å; S63-E226 PolarHBondContact OG-OE2 3.17Å
64G95.1Very high94.9Very high0 Ų028.9 Ų28.90%015%0.148CC..G310 helixtrans-67.7-4.3173.100000115P62 V66 N67P62-G64 PolarHBondContact O-N 3.16Å; P62-G64 VanDerWaalsContact O-N 3.15Å; G64-V66 PolarHBondContact O-N 3.13Å; G64-V66 VanDerWaalsContact O-N 3.16Å; G64-N67 PolarHBondContact O-N 3.38Å; G64-N67 VanDerWaalsContact O-N 3.09Å
65I95.8Very high95.4Very high0 Ų024.7 Ų24.70%013%0.129CC..G310 helixtrans-62.6-17.1174.4-161171.3000113.3F58 L61 P62 S63 N67 A72 L97 V100 R103F58-I65 HydrophobicContact CE1-CG2 3.83Å; F58-I65 HydrophobicContact CZ-CG2 3.93Å; L61-I65 HydrophobicContact CB-CG2 4.35Å; P62-I65 VanDerWaalsContact O-CB 3.31Å; P62-I65 WeakPolarHBondContact O-CB 3.36Å; P62-I65 VanDerWaalsContact O-CG2 3.23Å; P62-I65 WeakPolarHBondContact O-CG2 3.4Å; P62-I65 PolarHBondContact O-N 2.83Å; S63-I65 PolarHBondContact O-N 2.96Å; I65-N67 PolarHBondContact O-N 3.03Å; I65-A72 HydrophobicContact CB-CB 4.12Å; I65-A72 HydrophobicContact CD1-CB 3.6Å; I65-A72 HydrophobicContact CG1-CB 3.85Å; I65-L97 HydrophobicContact CG2-CD1 4.22Å; I65-V100 HydrophobicContact CD1-CG1 3.87Å; I65-R103 PolarHBondContact O-NH1 3.05Å; I65-R103 PolarHBondContact O-NH2 3.04Å
66V94.2Very high95.8Very high17 Ų1721.7 Ų21.710%0.10312%0.116CC..G310 helixtrans-56.5-30171-63.30000112.1D27 V49 A51 Y56 F58 S63 G64 P68 L97D27-V66 WeakPolarHBondContact OD1-CG2 3.33Å; V49-V66 HydrophobicContact CB-CG1 4.5Å; V49-V66 HydrophobicContact CG1-CG1 4.17Å; V49-V66 HydrophobicContact CG1-CG2 4.12Å; A51-V66 HydrophobicContact CB-CB 4.31Å; Y56-V66 HydrophobicContact CD2-CG1 4.07Å; Y56-V66 HydrophobicContact CG-CG1 4.38Å; F58-V66 HydrophobicContact CE2-CG1 3.53Å; F58-V66 HydrophobicContact CZ-CG1 3.56Å; S63-V66 WeakPolarHBondContact O-CG2 3.41Å; G64-V66 PolarHBondContact O-N 3.13Å; G64-V66 VanDerWaalsContact O-N 3.16Å; V66-P68 WeakPolarHBondContact O-CD 3.44Å; V66-L97 HydrophobicContact CB-CD2 4.4Å; V66-L97 HydrophobicContact CG1-CD1 4.18Å; V66-L97 HydrophobicContact CG1-CD2 4.43Å
67N92.8Very high96Very high21 Ų2121.6 Ų21.611%0.11212%0.118CC..SBendtrans-74.1116.6169.9-178.2-8.9000108.7S30 G64 I65 N69 V70 R103S30-N67 PolarHBondContact O-ND2 2.8Å; G64-N67 PolarHBondContact O-N 3.38Å; G64-N67 VanDerWaalsContact O-N 3.09Å; I65-N67 PolarHBondContact O-N 3.03Å; N67-N69 PolarHBondContact O-N 2.89Å; N67-N69 VanDerWaalsContact O-N 3.12Å; N67-N69 WeakPolarHBondContact OD1-CB 3.33Å; N67-N69 PolarHBondContact OD1-N 3.47Å; N67-V70 HydrophobicContact CB-CB 4.3Å; N67-V70 HydrophobicContact CB-CG2 3.79Å; N67-V70 PolarHBondContact O-N 3.27Å; N67-V70 VanDerWaalsContact O-N 3.14Å; N67-R103 PolarHBondContact O-NH1 2.99Å
68P92.7Very high96.3Very high86 Ų8618.7 Ų18.756%0.55811%0.106SC*.THydrogen-bonded Turntrans-63.8-20.5-17726.6-35.5000113.2V66 V70 R103V66-P68 WeakPolarHBondContact O-CD 3.44Å; P68-V70 VanDerWaalsContact C-N 3.32Å; P68-R103 WeakPolarHBondContact O-CD 3.3Å
69N92.4Very high96.5Very high136 Ų13618.7 Ų18.773%0.72711%0.106SC*.THydrogen-bonded Turntrans-86.2-2.3-178.9-59.8-49.7000113.7N67N67-N69 PolarHBondContact O-N 2.89Å; N67-N69 VanDerWaalsContact O-N 3.12Å; N67-N69 WeakPolarHBondContact OD1-CB 3.33Å; N67-N69 PolarHBondContact OD1-N 3.47Å
70V95.1Very high96.6Very high2 Ų216.5 Ų16.51%0.01210%0.096CC..PPolyproline II helixtrans-94.1135.5-177.11650000111.5C33 V36 N67 P68 R103C33-V70 WeakPolarHBondContact O-CG2 3.39Å; V36-V70 HydrophobicContact CB-CG1 3.77Å; V36-V70 HydrophobicContact CG2-CB 4.45Å; V36-V70 HydrophobicContact CG2-CG1 3.44Å; V36-V70 VanDerWaalsContact CG2-CG1 3.44Å; V36-V70 HydrophobicContact CG2-CG2 4.16Å; N67-V70 HydrophobicContact CB-CB 4.3Å; N67-V70 HydrophobicContact CB-CG2 3.79Å; N67-V70 PolarHBondContact O-N 3.27Å; N67-V70 VanDerWaalsContact O-N 3.14Å; P68-V70 VanDerWaalsContact C-N 3.32Å; V70-R103 PolarHBondContact O-NH1 2.77Å
71L96.6Very high96.7Very high40 Ų4016.8 Ų16.821%0.20910%0.098CC..EExtended strand (participates in β ladder)trans-82.2119.7160.8178.965.7000109.6S34 V35 V36 V73 R103 R105 L211 L215S34-L71 PolarHBondContact O-N 3.26Å; V35-L71 CarbonylContact C-O 3.6Å; V35-L71 VanDerWaalsContact CA-O 3.26Å; V35-L71 WeakPolarHBondContact CA-O 3.3Å; V35-L71 HydrophobicContact CG2-CB 4.4Å; V35-L71 HydrophobicContact CG2-CD2 4.5Å; V36-L71 PolarHBondContact N-O 2.9Å; L71-V73 HydrophobicContact CD2-CG2 4.48Å; L71-V73 HydrophobicContact CG-CG2 4.3Å; L71-R103 VanDerWaalsContact CD1-O 3.3Å; L71-R103 WeakPolarHBondContact CD1-O 3.43Å; L71-R105 HydrophobicContact CD1-CG 3.78Å; L71-L211 HydrophobicContact CD2-CD2 4.45Å; L71-L215 HydrophobicContact CD2-CD1 4.32Å
72A98Very high96.7Very high0 Ų017.1 Ų17.10%010%0.099CC..EExtended strand (participates in β ladder)trans-89.3133.8175.600000110.9V36 P62 I65 R103 L104 R105V36-A72 CarbonylContact O-C 3.52Å; V36-A72 WeakPolarHBondContact O-CA 3.46Å; P62-A72 HydrophobicContact CG-CB 4.07Å; I65-A72 HydrophobicContact CB-CB 4.12Å; I65-A72 HydrophobicContact CD1-CB 3.6Å; I65-A72 HydrophobicContact CG1-CB 3.85Å; A72-R103 PolarHBondContact N-O 3.17Å; A72-L104 HydrophobicContact CB-CD1 3.89Å; A72-L104 CarbonylContact O-C 3.6Å; A72-R105 PolarHBondContact O-N 3.22Å
73V98.5Very high96.8Very high0 Ų020.3 Ų20.30%011%0.114CC..EExtended strand (participates in β ladder)trans-125.9125.3178.3-175.80000111.1V35 V36 C37 R38 L71 R105 L211 I212V35-V73 HydrophobicContact CG1-CG2 3.81Å; V36-V73 PolarHBondContact O-N 3.27Å; C37-V73 CarbonylContact C-O 3.57Å; C37-V73 VanDerWaalsContact CA-O 3.24Å; C37-V73 WeakPolarHBondContact CA-O 3.29Å; C37-V73 HydrophobicContact CB-CB 4.45Å; R38-V73 PolarHBondContact N-O 2.91Å; L71-V73 HydrophobicContact CD2-CG2 4.48Å; L71-V73 HydrophobicContact CG-CG2 4.3Å; V73-R105 CarbonylContact C-O 3.59Å; V73-R105 VanDerWaalsContact CA-O 3.3Å; V73-R105 WeakPolarHBondContact CA-O 3.26Å; V73-R105 HydrophobicContact CG2-CB 4.36Å; V73-L211 HydrophobicContact CG2-CD2 4.28Å; V73-I212 HydrophobicContact CB-CD1 4.38Å; V73-I212 HydrophobicContact CG1-CD1 4.22Å; V73-I212 HydrophobicContact CG1-CG1 4.42Å; V73-I212 HydrophobicContact CG2-CD1 4.14Å
74I98.7Very high96.9Very high0 Ų021.1 Ų21.10%012%0.121CC..EExtended strand (participates in β ladder)trans-96.9109.4167.6-61.8179.7000107.9L60 V78 V80 L85 L104 R105 I106 S107L60-I74 HydrophobicContact CB-CD1 4.36Å; L60-I74 WeakPolarHBondContact O-CD1 3.15Å; I74-V78 HydrophobicContact CG2-CB 3.66Å; I74-V78 HydrophobicContact CG2-CG1 3.77Å; I74-V78 HydrophobicContact CG2-CG2 3.91Å; I74-V80 HydrophobicContact CG2-CG2 4.03Å; I74-L85 HydrophobicContact CD1-CD1 4.07Å; I74-L104 HydrophobicContact CD1-CD1 4.19Å; I74-L104 HydrophobicContact CG1-CD1 4.15Å; I74-R105 PolarHBondContact N-O 3.15Å; I74-I106 HydrophobicContact CB-CG1 4.41Å; I74-I106 HydrophobicContact CB-CG2 4.5Å; I74-I106 HydrophobicContact CD1-CG1 4.31Å; I74-S107 WeakPolarHBondContact O-CB 3.42Å; I74-S107 PolarHBondContact O-N 3.41Å
75G98.5Very high97Very high0 Ų021.1 Ų21.10%012%0.121CC..  trans-74.3162.2-177.700000114.4R38 G77 V78 C110 G256R38-G75 WeakPolarHBondContact O-CA 3.29Å; R38-G75 PolarHBondContact O-N 3.11Å; G75-G77 PolarHBondContact O-N 2.78Å; G75-G77 VanDerWaalsContact O-N 3.09Å; G75-V78 WeakPolarHBondContact O-CB 3.48Å; G75-V78 PolarHBondContact O-N 3.09Å; G75-C110 PolarHBondContact O-SG 3.01Å; G75-G256 CarbonylContact C-O 3.58Å; G75-G256 VanDerWaalsContact C-O 3.29Å; G75-G256 WeakPolarHBondContact CA-O 3.27Å
76N98.2Very high97.1Very high29 Ų2921.7 Ų21.716%0.15512%0.123CC..THydrogen-bonded Turntrans-61.8-18.9-176.665.3-89.6000114.8V78 S107 R109 T255 G256N76-V78 VanDerWaalsContact C-N 3.27Å; N76-S107 WeakPolarHBondContact CB-OG 3.48Å; N76-R109 HydrophobicContact CB-CB 3.68Å; N76-T255 PolarHBondContact ND2-O 3.44Å; N76-G256 PolarHBondContact N-O 2.92Å; N76-G256 VanDerWaalsContact OD1-C 3.27Å; N76-G256 PolarHBondContact OD1-O 2.97Å
77G98.1Very high97.3Very high10 Ų1025.5 Ų25.510%0.10314%0.14CC..THydrogen-bonded Turntrans-77.3-13.1176.600000113.6C39 G75 Y144 G256C39-G77 CarbonylContact O-C 3.5Å; C39-G77 VanDerWaalsContact O-C 3.31Å; C39-G77 WeakPolarHBondContact O-CA 3.48Å; G75-G77 PolarHBondContact O-N 2.78Å; G75-G77 VanDerWaalsContact O-N 3.09Å; G77-Y144 PolarHBondContact O-OH 3.12Å; G77-G256 PolarHBondContact N-O 3.26Å; G77-G256 VanDerWaalsContact N-O 3.08Å
78V98.8Very high97.5Very high2 Ų225 Ų251%0.01214%0.137CC..SBendtrans-81.6139.5176.9-175.30000110.6R38 G41 L60 I74 G75 N76 V80R38-V78 HydrophobicContact CB-CG2 4.15Å; G41-V78 CarbonylContact O-C 3.58Å; G41-V78 WeakPolarHBondContact O-CA 3.47Å; G41-V78 WeakPolarHBondContact O-CG1 3.08Å; L60-V78 HydrophobicContact CD2-CG1 4.04Å; I74-V78 HydrophobicContact CG2-CB 3.66Å; I74-V78 HydrophobicContact CG2-CG1 3.77Å; I74-V78 HydrophobicContact CG2-CG2 3.91Å; G75-V78 WeakPolarHBondContact O-CB 3.48Å; G75-V78 PolarHBondContact O-N 3.09Å; N76-V78 VanDerWaalsContact C-N 3.27Å; V78-V80 HydrophobicContact CG1-CG2 4.22Å
79V98.8Very high97.7Very high2 Ų221 Ų211%0.01211%0.111CC..EExtended strand (participates in β ladder)trans-96.5130.8166.6-56.50000109.8G41 G42 H111 V113 I140 T143 Y144G41-V79 PolarHBondContact O-N 2.94Å; G42-V79 WeakPolarHBondContact CA-O 3.36Å; V79-H111 CarbonylContact C-O 3.35Å; V79-H111 WeakPolarHBondContact CA-O 3.4Å; V79-H111 HydrophobicContact CG1-CB 4.16Å; V79-V113 HydrophobicContact CB-CG2 3.74Å; V79-V113 HydrophobicContact CG2-CG2 3.68Å; V79-I140 HydrophobicContact CG2-CD1 3.75Å; V79-I140 HydrophobicContact CG2-CG2 4.04Å; V79-T143 HydrophobicContact CB-CG2 3.85Å; V79-T143 HydrophobicContact CG1-CG2 3.77Å; V79-Y144 HydrophobicContact CB-CE2 4.39Å; V79-Y144 HydrophobicContact CG1-CD1 4.35Å; V79-Y144 HydrophobicContact CG1-CD2 3.87Å; V79-Y144 HydrophobicContact CG1-CE1 4.09Å; V79-Y144 HydrophobicContact CG1-CE2 3.6Å; V79-Y144 HydrophobicContact CG1-CG 4.25Å; V79-Y144 HydrophobicContact CG2-CD2 4.3Å; V79-Y144 HydrophobicContact CG2-CE2 3.85Å
80V98.8Very high98Very high1 Ų118.7 Ų18.71%0.00610%0.099CC..EExtended strand (participates in β ladder)trans-115.3117.4-167.9179.30000110.4L60 I74 V78 L82 L85 C110 H111 L112 V113L60-V80 HydrophobicContact CD1-CG1 4.44Å; I74-V80 HydrophobicContact CG2-CG2 4.03Å; V78-V80 HydrophobicContact CG1-CG2 4.22Å; V80-L82 HydrophobicContact CG1-CD2 4.03Å; V80-L85 HydrophobicContact CG1-CB 4.39Å; V80-L85 HydrophobicContact CG1-CD2 4.01Å; V80-C110 HydrophobicContact CG2-CB 3.87Å; V80-H111 PolarHBondContact N-O 3.47Å; V80-L112 WeakPolarHBondContact O-CA 3.38Å; V80-V113 PolarHBondContact O-N 3.35Å
81N98.6Very high98Very high7 Ų723.8 Ų23.84%0.03712%0.122CC..  trans-87.4116163.1-176.8-73.2000108.4Q83 A84 L85 V113 Q118N81-Q83 WeakPolarHBondContact OD1-CB 3.13Å; N81-Q83 PolarHBondContact OD1-N 2.88Å; N81-A84 HydrophobicContact CB-CB 3.98Å; N81-A84 PolarHBondContact O-N 3.35Å; N81-A84 WeakPolarHBondContact OD1-CB 3.48Å; N81-A84 PolarHBondContact OD1-N 3.33Å; N81-L85 WeakPolarHBondContact O-CB 3.36Å; N81-L85 PolarHBondContact O-N 3.44Å; N81-V113 HydrophobicContact CB-CB 3.85Å; N81-V113 HydrophobicContact CB-CG1 4.23Å; N81-V113 HydrophobicContact CB-CG2 4.45Å; N81-V113 PolarHBondContact ND2-O 3.49Å; N81-Q118 PolarHBondContact ND2-NE2 3.22Å
82L98.6Very high98Very high7 Ų722 Ų224%0.03711%0.114CC..Hα-helixtrans-67.9-37.5-173.7-65.4175000112.6V80 L85 F86 L112 L158 L194 Y197 L201V80-L82 HydrophobicContact CG1-CD2 4.03Å; L82-L85 PolarHBondContact O-N 3.01Å; L82-F86 WeakPolarHBondContact O-CD2 3.39Å; L82-F86 PolarHBondContact O-N 2.98Å; L82-L112 HydrophobicContact CD1-CD2 3.95Å; L82-L112 HydrophobicContact CD2-CD2 4.16Å; L82-L112 HydrophobicContact CG-CD2 3.97Å; L82-L158 HydrophobicContact CD1-CD2 3.52Å; L82-L194 HydrophobicContact CD1-CD2 4.17Å; L82-Y197 HydrophobicContact CB-CD1 4.43Å; L82-Y197 HydrophobicContact CB-CD2 3.78Å; L82-Y197 HydrophobicContact CB-CE2 4.31Å; L82-Y197 HydrophobicContact CB-CG 3.86Å; L82-Y197 HydrophobicContact CD1-CD2 4.42Å; L82-Y197 HydrophobicContact CD1-CG 4.39Å; L82-L201 HydrophobicContact CD2-CD1 3.96Å; L82-L201 HydrophobicContact CD2-CD2 3.8Å; L82-L201 HydrophobicContact CD2-CG 4.45Å
83Q98.1Very high97.9Very high66 Ų6625.4 Ų25.431%0.30813%0.134SC..Hα-helixtrans-61.1-49.8175.9179.1173.62.300111.2N81 L85 F86 Q87 Y197N81-Q83 WeakPolarHBondContact OD1-CB 3.13Å; N81-Q83 PolarHBondContact OD1-N 2.88Å; Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 3.48Å; Q83-F86 PolarHBondContact O-N 3.29Å; Q83-Q87 WeakPolarHBondContact O-CB 3.19Å; Q83-Q87 VanDerWaalsContact O-CG 3.29Å; Q83-Q87 WeakPolarHBondContact O-CG 3.42Å; Q83-Q87 PolarHBondContact O-N 3.07Å; Q83-Y197 WeakPolarHBondContact CA-OH 3.23Å; Q83-Y197 HydrophobicContact CB-CE2 4.12Å; Q83-Y197 VanDerWaalsContact CB-OH 3.28Å; Q83-Y197 WeakPolarHBondContact CB-OH 3.39Å; Q83-Y197 WeakPolarHBondContact CG-OH 3.32Å
84A97.9Very high97.8Very high17 Ų1730.9 Ų30.914%0.1417%0.171CC..Hα-helixtrans-62.4-40.6178.300000111.9N43 L60 N81 Q87 E88N43-A84 HydrophobicContact CB-CB 4.21Å; N43-A84 WeakPolarHBondContact ND2-CB 3.29Å; L60-A84 HydrophobicContact CD1-CB 4.4Å; N81-A84 HydrophobicContact CB-CB 3.98Å; N81-A84 PolarHBondContact O-N 3.35Å; N81-A84 WeakPolarHBondContact OD1-CB 3.48Å; N81-A84 PolarHBondContact OD1-N 3.33Å; A84-Q87 PolarHBondContact O-N 2.93Å; A84-E88 VanDerWaalsContact O-CB 3.29Å; A84-E88 WeakPolarHBondContact O-CB 3.38Å; A84-E88 PolarHBondContact O-N 3.07Å
85L98.4Very high97.6Very high0 Ų034.1 Ų34.10%019%0.185CC..Hα-helixtrans-59.4-49.5176.7176.465.9000111.6L60 L61 I74 V80 N81 L82 Q83 E88 I89 L104 I106 L201L60-L85 HydrophobicContact CB-CD1 4.16Å; L60-L85 HydrophobicContact CD1-CB 3.81Å; L60-L85 HydrophobicContact CD1-CD1 4.42Å; L61-L85 HydrophobicContact CD2-CD1 3.93Å; I74-L85 HydrophobicContact CD1-CD1 4.07Å; V80-L85 HydrophobicContact CG1-CB 4.39Å; V80-L85 HydrophobicContact CG1-CD2 4.01Å; N81-L85 WeakPolarHBondContact O-CB 3.36Å; N81-L85 PolarHBondContact O-N 3.44Å; L82-L85 PolarHBondContact O-N 3.01Å; Q83-L85 VanDerWaalsContact C-N 3.33Å; Q83-L85 PolarHBondContact O-N 3.48Å; L85-E88 PolarHBondContact O-N 3.09Å; L85-I89 HydrophobicContact CD1-CD1 4.11Å; L85-I89 HydrophobicContact CD1-CG1 4.47Å; L85-I89 HydrophobicContact CG-CD1 3.97Å; L85-I89 VanDerWaalsContact O-CG1 3.28Å; L85-I89 WeakPolarHBondContact O-CG1 3.47Å; L85-I89 PolarHBondContact O-N 2.9Å; L85-L104 HydrophobicContact CD1-CD2 4.26Å; L85-I106 HydrophobicContact CD2-CD1 3.54Å; L85-L201 HydrophobicContact CD2-CD1 4.27Å
86F98Very high97.3Very high12 Ų1236.2 Ų36.25%0.05321%0.207CC..Hα-helixtrans-70.9-35.6-178.2-75.5-64.7000112.4L82 Q83 E88 I89 D90 Y197 K200 L201 M204L82-F86 WeakPolarHBondContact O-CD2 3.39Å; L82-F86 PolarHBondContact O-N 2.98Å; Q83-F86 PolarHBondContact O-N 3.29Å; F86-E88 VanDerWaalsContact C-N 3.33Å; F86-E88 PolarHBondContact O-N 2.9Å; F86-I89 HydrophobicContact CD1-CD1 4.18Å; F86-I89 HydrophobicContact CE1-CD1 4.44Å; F86-I89 PolarHBondContact O-N 2.66Å; F86-D90 WeakPolarHBondContact O-CB 3.23Å; F86-D90 PolarHBondContact O-N 3.3Å; F86-Y197 HydrophobicContact CB-CE1 4.44Å; F86-Y197 AromaticContact CD2-CD1 3.28Å; F86-Y197 HydrophobicContact CD2-CD1 3.28Å; F86-Y197 AromaticContact CD2-CE1 3.68Å; F86-Y197 HydrophobicContact CD2-CE1 3.68Å; F86-Y197 HydrophobicContact CD2-CG 4.18Å; F86-Y197 AromaticContact CE2-CD1 3.6Å; F86-Y197 HydrophobicContact CE2-CD1 3.6Å; F86-Y197 HydrophobicContact CE2-CE1 4.44Å; F86-Y197 HydrophobicContact CE2-CG 4.19Å; F86-Y197 HydrophobicContact CG-CD1 4.3Å; F86-Y197 HydrophobicContact CG-CE1 4.4Å; F86-K200 HydrophobicContact CD1-CB 4.39Å; F86-K200 HydrophobicContact CD1-CD 4.28Å; F86-K200 HydrophobicContact CE1-CB 3.55Å; F86-K200 HydrophobicContact CE1-CD 4.25Å; F86-K200 HydrophobicContact CE2-CB 4.03Å; F86-K200 HydrophobicContact CZ-CB 3.35Å; F86-K200 HydrophobicContact CZ-CD 4.45Å; F86-L201 HydrophobicContact CZ-CB 4.24Å; F86-L201 HydrophobicContact CZ-CD1 4.34Å; F86-M204 HydrophobicContact CE1-CE 3.58Å; F86-M204 HydrophobicContact CZ-CE 3.86Å
87Q97.5Very high97Very high98 Ų9835.4 Ų35.446%0.45820%0.202SC..Hα-helixtrans-59.4-45.5171-74.6172.8-1900111.4Q83 A84 I89 D90 E91Q83-Q87 WeakPolarHBondContact O-CB 3.19Å; Q83-Q87 VanDerWaalsContact O-CG 3.29Å; Q83-Q87 WeakPolarHBondContact O-CG 3.42Å; Q83-Q87 PolarHBondContact O-N 3.07Å; A84-Q87 PolarHBondContact O-N 2.93Å; Q87-I89 PolarHBondContact O-N 3.24Å; Q87-D90 PolarHBondContact O-N 3.07Å; Q87-E91 WeakPolarHBondContact O-CB 3.3Å; Q87-E91 VanDerWaalsContact O-CG 3.31Å; Q87-E91 WeakPolarHBondContact O-CG 3.19Å; Q87-E91 PolarHBondContact O-N 2.9Å
88E97.3Very high96.5Very high10 Ų1040.9 Ų40.95%0.04723%0.229CC..Hα-helixtrans-64-39.4177.8-173.9-179.5170.100112.4F58 H59 L60 L61 A84 L85 F86 A92F58-E88 WeakPolarHBondContact CA-OE1 3.38Å; H59-E88 VanDerWaalsContact N-CD 3.31Å; H59-E88 PolarHBondContact N-OE1 3.44Å; H59-E88 PolarHBondContact N-OE2 3.1Å; L60-E88 WeakPolarHBondContact CB-OE2 3.25Å; L60-E88 PolarHBondContact N-OE1 3.06Å; L60-E88 PolarHBondContact N-OE2 2.99Å; L61-E88 WeakPolarHBondContact CB-OE1 3.45Å; L61-E88 HydrophobicContact CD1-CG 3.96Å; L61-E88 HydrophobicContact CG-CG 4.08Å; L61-E88 WeakPolarHBondContact CG-OE1 3.46Å; L61-E88 PolarHBondContact N-OE1 2.94Å; A84-E88 VanDerWaalsContact O-CB 3.29Å; A84-E88 WeakPolarHBondContact O-CB 3.38Å; A84-E88 PolarHBondContact O-N 3.07Å; L85-E88 PolarHBondContact O-N 3.09Å; F86-E88 VanDerWaalsContact C-N 3.33Å; F86-E88 PolarHBondContact O-N 2.9Å; E88-A92 VanDerWaalsContact O-CB 3.25Å; E88-A92 WeakPolarHBondContact O-CB 3.43Å; E88-A92 PolarHBondContact O-N 3.25Å
89I97.7Very high96.2Very high3 Ų346.2 Ų46.22%0.01526%0.257CS..Hα-helixtrans-62.9-50173.7-69.9167.6000110.6L61 L85 F86 Q87 E91 A92 V93 V100 L104 M204L61-I89 HydrophobicContact CD1-CG1 4.21Å; L61-I89 HydrophobicContact CD2-CG1 4.17Å; L85-I89 HydrophobicContact CD1-CD1 4.11Å; L85-I89 HydrophobicContact CD1-CG1 4.47Å; L85-I89 HydrophobicContact CG-CD1 3.97Å; L85-I89 VanDerWaalsContact O-CG1 3.28Å; L85-I89 WeakPolarHBondContact O-CG1 3.47Å; L85-I89 PolarHBondContact O-N 2.9Å; F86-I89 HydrophobicContact CD1-CD1 4.18Å; F86-I89 HydrophobicContact CE1-CD1 4.44Å; F86-I89 PolarHBondContact O-N 2.66Å; Q87-I89 PolarHBondContact O-N 3.24Å; I89-E91 PolarHBondContact O-N 2.88Å; I89-A92 PolarHBondContact O-N 3.14Å; I89-V93 HydrophobicContact CG2-CG2 4.41Å; I89-V93 VanDerWaalsContact O-CG2 3.32Å; I89-V93 WeakPolarHBondContact O-CG2 3.25Å; I89-V93 PolarHBondContact O-N 3.32Å; I89-V100 HydrophobicContact CB-CG1 4.35Å; I89-V100 HydrophobicContact CG1-CG1 3.94Å; I89-V100 HydrophobicContact CG2-CB 4.31Å; I89-V100 HydrophobicContact CG2-CG1 3.94Å; I89-L104 HydrophobicContact CD1-CD2 3.91Å; I89-M204 HydrophobicContact CD1-SD 4.26Å
90D97.2Very high96Very high87 Ų8746.1 Ų46.147%0.46526%0.257SS..Hα-helixtrans-62.2-44.4-177.8-68.4-21000110.7F86 Q87 A92 V93 C94F86-D90 WeakPolarHBondContact O-CB 3.23Å; F86-D90 PolarHBondContact O-N 3.3Å; Q87-D90 PolarHBondContact O-N 3.07Å; D90-A92 PolarHBondContact O-N 3.45Å; D90-V93 PolarHBondContact O-N 3.01Å; D90-C94 WeakPolarHBondContact O-CB 3.39Å; D90-C94 PolarHBondContact O-N 2.9Å; D90-C94 PolarHBondContact O-SG 3.47Å; D90-C94 VanDerWaalsContact O-SG 3.35Å
91E96.7Very high95.8Very high108 Ų10848.8 Ų48.851%0.50528%0.275SS..Hα-helixtrans-60.9-43.3175.6-76177.9-160.700112.5Q87 I89 C94 K95Q87-E91 WeakPolarHBondContact O-CB 3.3Å; Q87-E91 VanDerWaalsContact O-CG 3.31Å; Q87-E91 WeakPolarHBondContact O-CG 3.19Å; Q87-E91 PolarHBondContact O-N 2.9Å; I89-E91 PolarHBondContact O-N 2.88Å; E91-C94 PolarHBondContact O-N 2.82Å; E91-K95 WeakPolarHBondContact O-CG 3.41Å; E91-K95 PolarHBondContact O-N 3.14Å; E91-K95 VanDerWaalsContact O-N 3.14Å
92A95.8Very high95.7Very high4 Ų451.8 Ų51.83%0.03330%0.297CS..Hα-helixtrans-65.4-41.3178.700000112F58 E88 I89 D90 K95 G96 L97F58-A92 HydrophobicContact CE1-CB 4.46Å; E88-A92 VanDerWaalsContact O-CB 3.25Å; E88-A92 WeakPolarHBondContact O-CB 3.43Å; E88-A92 PolarHBondContact O-N 3.25Å; I89-A92 PolarHBondContact O-N 3.14Å; D90-A92 PolarHBondContact O-N 3.45Å; A92-K95 PolarHBondContact O-N 3.18Å; A92-G96 PolarHBondContact O-N 2.95Å; A92-L97 HydrophobicContact CB-CB 4.4Å; A92-L97 HydrophobicContact CB-CD1 4.04Å; A92-L97 HydrophobicContact CB-CG 4.44Å; A92-L97 WeakPolarHBondContact O-CB 3.37Å; A92-L97 PolarHBondContact O-N 3.36Å
93V95.8Very high95.6Very high70 Ų7053 Ų5342%0.42430%0.301SS..Hα-helixtrans-65.3-45.1176171.30000111.1I89 D90 K95 G96 L97 V100I89-V93 HydrophobicContact CG2-CG2 4.41Å; I89-V93 VanDerWaalsContact O-CG2 3.32Å; I89-V93 WeakPolarHBondContact O-CG2 3.25Å; I89-V93 PolarHBondContact O-N 3.32Å; D90-V93 PolarHBondContact O-N 3.01Å; V93-K95 PolarHBondContact O-N 3.06Å; V93-G96 PolarHBondContact O-N 2.88Å; V93-L97 WeakPolarHBondContact CA-O 3.47Å; V93-V100 HydrophobicContact CG2-CB 4.13Å; V93-V100 HydrophobicContact CG2-CG2 3.89Å
94C95.6Very high95.6Very high116 Ų11649.8 Ų49.878%0.78429%0.286SS*.Hα-helixtrans-59.5-30.7176.7-76.30000113.2D90 E91 G96D90-C94 WeakPolarHBondContact O-CB 3.39Å; D90-C94 PolarHBondContact O-N 2.9Å; D90-C94 PolarHBondContact O-SG 3.47Å; D90-C94 VanDerWaalsContact O-SG 3.35Å; E91-C94 PolarHBondContact O-N 2.82Å; C94-G96 VanDerWaalsContact C-N 3.35Å
95K94.9Very high95.7Very high68 Ų6852.5 Ų52.530%0.29629%0.292SS..THydrogen-bonded Turntrans-82.2-9175.8-73.5177.9179.3179.90114.1E55 Y56 E91 A92 V93E55-K95 WeakPolarHBondContact O-CD 3.34Å; E55-K95 PolarHBondContact O-NZ 3.24Å; Y56-K95 HydrophobicContact CD1-CB 4.2Å; Y56-K95 HydrophobicContact CD1-CD 4.11Å; Y56-K95 HydrophobicContact CE1-CB 3.47Å; Y56-K95 VanDerWaalsContact CE1-CB 3.47Å; Y56-K95 HydrophobicContact CE1-CD 4.19Å; Y56-K95 HydrophobicContact CE1-CG 4.49Å; Y56-K95 PolarHBondContact OH-O 3.4Å; E91-K95 WeakPolarHBondContact O-CG 3.41Å; E91-K95 PolarHBondContact O-N 3.14Å; E91-K95 VanDerWaalsContact O-N 3.14Å; A92-K95 PolarHBondContact O-N 3.18Å; V93-K95 PolarHBondContact O-N 3.06Å
96G91.9Very high95.7Very high44 Ų4452.5 Ų52.545%0.45429%0.292SS..THydrogen-bonded Turntrans117.44.9173.100000115.8A92 V93 C94 L98A92-G96 PolarHBondContact O-N 2.95Å; V93-G96 PolarHBondContact O-N 2.88Å; C94-G96 VanDerWaalsContact C-N 3.35Å; G96-L98 PolarHBondContact O-N 3.41Å
97L93Very high95.7Very high12 Ų1252 Ų526%0.06329%0.29CS..  trans-73.1114.7170.6-65.1-167.6000110.6Y56 F58 I65 V66 A92 V93 V100Y56-L97 HydrophobicContact CD1-CD1 4.13Å; Y56-L97 HydrophobicContact CD1-CG 4.14Å; Y56-L97 HydrophobicContact CE1-CD1 4.03Å; Y56-L97 HydrophobicContact CE1-CD2 4.03Å; Y56-L97 HydrophobicContact CE1-CG 3.52Å; Y56-L97 HydrophobicContact CE2-CD2 4.3Å; F58-L97 HydrophobicContact CE1-CD1 4.22Å; F58-L97 HydrophobicContact CZ-CD1 3.89Å; I65-L97 HydrophobicContact CG2-CD1 4.22Å; V66-L97 HydrophobicContact CB-CD2 4.4Å; V66-L97 HydrophobicContact CG1-CD1 4.18Å; V66-L97 HydrophobicContact CG1-CD2 4.43Å; A92-L97 HydrophobicContact CB-CB 4.4Å; A92-L97 HydrophobicContact CB-CD1 4.04Å; A92-L97 HydrophobicContact CB-CG 4.44Å; A92-L97 WeakPolarHBondContact O-CB 3.37Å; A92-L97 PolarHBondContact O-N 3.36Å; V93-L97 WeakPolarHBondContact CA-O 3.47Å; L97-V100 HydrophobicContact CB-CG2 3.67Å
98L87.8Confident95.8Very high125 Ų12549 Ų4965%0.65428%0.277SS*.THydrogen-bonded Turntrans-81.2149.5178.2-53.7-179.7000110.9G96 V100 R103G96-L98 PolarHBondContact O-N 3.41Å; L98-V100 PolarHBondContact O-N 3.13Å; L98-R103 PolarHBondContact O-NH2 3.27Å
99D91.8Very high95.8Very high113 Ų11352.4 Ų52.460%0.60429%0.29SS*.THydrogen-bonded Turntrans57.328.5165-58.6-44.3000115.2S101 S102 R103D99-S101 PolarHBondContact O-N 3.36Å; D99-S102 WeakPolarHBondContact CB-OG 3.37Å; D99-S102 PolarHBondContact O-N 2.84Å; D99-S102 PolarHBondContact O-OG 3.38Å; D99-S102 VanDerWaalsContact O-OG 3.04Å; D99-R103 PolarHBondContact O-N 3.28Å; D99-R103 PolarHBondContact O-NE 3.06Å
100V95.6Very high95.9Very high1 Ų152.3 Ų52.31%0.00629%0.289CS..THydrogen-bonded Turntrans-53.3-51.3-177.5173.40000111.2L61 I65 I89 V93 L97 L98 S102 R103 L104L61-V100 HydrophobicContact CD1-CG1 4.15Å; I65-V100 HydrophobicContact CD1-CG1 3.87Å; I89-V100 HydrophobicContact CB-CG1 4.35Å; I89-V100 HydrophobicContact CG1-CG1 3.94Å; I89-V100 HydrophobicContact CG2-CB 4.31Å; I89-V100 HydrophobicContact CG2-CG1 3.94Å; V93-V100 HydrophobicContact CG2-CB 4.13Å; V93-V100 HydrophobicContact CG2-CG2 3.89Å; L97-V100 HydrophobicContact CB-CG2 3.67Å; L98-V100 PolarHBondContact O-N 3.13Å; V100-S102 VanDerWaalsContact C-N 3.34Å; V100-S102 PolarHBondContact O-N 2.88Å; V100-R103 CarbonylContact O-C 3.52Å; V100-R103 PolarHBondContact O-N 3.44Å; V100-L104 VanDerWaalsContact O-CB 3.32Å; V100-L104 WeakPolarHBondContact O-CB 3.38Å; V100-L104 PolarHBondContact O-N 3.46Å
101S94.5Very high96Very high56 Ų5649.2 Ų49.239%0.39227%0.272SS..THydrogen-bonded Turntrans-65.4-32.9-177.7-54.90000113.5D99 R103 M204D99-S101 PolarHBondContact O-N 3.36Å; S101-R103 VanDerWaalsContact C-N 3.33Å; S101-M204 WeakPolarHBondContact O-CG 3.26Å
102S95.7Very high96.1Very high70 Ų7044.2 Ų44.249%0.4925%0.248SC..THydrogen-bonded Turntrans-76.5-25.1-179.2750000112.1D99 V100 R105D99-S102 WeakPolarHBondContact CB-OG 3.37Å; D99-S102 PolarHBondContact O-N 2.84Å; D99-S102 PolarHBondContact O-OG 3.38Å; D99-S102 VanDerWaalsContact O-OG 3.04Å; V100-S102 VanDerWaalsContact C-N 3.34Å; V100-S102 PolarHBondContact O-N 2.88Å; S102-R105 PolarHBondContact O-NH1 2.89Å; S102-R105 PolarHBondContact O-NH2 3Å
103R96.6Very high96.2Very high32 Ų3244.3 Ų44.312%0.12125%0.249CC..SBendtrans-99.62.5178.1-60.7-176.8-61.6113.2-4.9114.2I65 N67 P68 V70 L71 A72 L98 D99 V100 S101I65-R103 PolarHBondContact O-NH1 3.05Å; I65-R103 PolarHBondContact O-NH2 3.04Å; N67-R103 PolarHBondContact O-NH1 2.99Å; P68-R103 WeakPolarHBondContact O-CD 3.3Å; V70-R103 PolarHBondContact O-NH1 2.77Å; L71-R103 VanDerWaalsContact CD1-O 3.3Å; L71-R103 WeakPolarHBondContact CD1-O 3.43Å; A72-R103 PolarHBondContact N-O 3.17Å; L98-R103 PolarHBondContact O-NH2 3.27Å; D99-R103 PolarHBondContact O-N 3.28Å; D99-R103 PolarHBondContact O-NE 3.06Å; V100-R103 CarbonylContact O-C 3.52Å; V100-R103 PolarHBondContact O-N 3.44Å; S101-R103 VanDerWaalsContact C-N 3.33Å
104L98.5Very high96.3Very high0 Ų041.4 Ų41.40%023%0.23CC..EExtended strand (participates in β ladder)trans-99.6132.1176.4-17861.7000111.1L61 A72 I74 L85 I89 V100 I106 M204L61-L104 HydrophobicContact CD2-CD1 3.97Å; L61-L104 HydrophobicContact CD2-CD2 3.56Å; L61-L104 HydrophobicContact CD2-CG 4.39Å; A72-L104 HydrophobicContact CB-CD1 3.89Å; A72-L104 CarbonylContact O-C 3.6Å; I74-L104 HydrophobicContact CD1-CD1 4.19Å; I74-L104 HydrophobicContact CG1-CD1 4.15Å; L85-L104 HydrophobicContact CD1-CD2 4.26Å; I89-L104 HydrophobicContact CD1-CD2 3.91Å; V100-L104 VanDerWaalsContact O-CB 3.32Å; V100-L104 WeakPolarHBondContact O-CB 3.38Å; V100-L104 PolarHBondContact O-N 3.46Å; L104-I106 HydrophobicContact CD2-CD1 4.08Å; L104-I106 HydrophobicContact CD2-CG1 4.29Å; L104-I106 HydrophobicContact CG-CD1 4.38Å; L104-I106 HydrophobicContact CG-CG1 4.1Å; L104-M204 HydrophobicContact CB-CG 4.49Å; L104-M204 HydrophobicContact CB-SD 4.23Å; L104-M204 HydrophobicContact CD2-SD 3.81Å; L104-M204 HydrophobicContact CG-SD 4.29Å
105R98.7Very high96.4Very high74 Ų7438.4 Ų38.428%0.27921%0.207SC..EExtended strand (participates in β ladder)trans-123.3131.8171.5-65.3-63.4176-80.2-5.2110.4L71 A72 V73 I74 S102 M204 L211L71-R105 HydrophobicContact CD1-CG 3.78Å; A72-R105 PolarHBondContact O-N 3.22Å; V73-R105 CarbonylContact C-O 3.59Å; V73-R105 VanDerWaalsContact CA-O 3.3Å; V73-R105 WeakPolarHBondContact CA-O 3.26Å; V73-R105 HydrophobicContact CG2-CB 4.36Å; I74-R105 PolarHBondContact N-O 3.15Å; S102-R105 PolarHBondContact O-NH1 2.89Å; S102-R105 PolarHBondContact O-NH2 3Å; R105-M204 CarbonylContact C-O 3.49Å; R105-M204 VanDerWaalsContact CA-O 3.29Å; R105-M204 WeakPolarHBondContact CA-O 3.49Å; R105-L211 HydrophobicContact CB-CD2 4.02Å; R105-L211 HydrophobicContact CG-CD2 4.01Å
106I98.8Very high96.5Very high0 Ų035.3 Ų35.30%019%0.193CC..EExtended strand (participates in β ladder)trans-120.1130.8-176.2-57.5167.8000107.8I74 L85 L104 D108 V155 L201 M204 V205 C206I74-I106 HydrophobicContact CB-CG1 4.41Å; I74-I106 HydrophobicContact CB-CG2 4.5Å; I74-I106 HydrophobicContact CD1-CG1 4.31Å; L85-I106 HydrophobicContact CD2-CD1 3.54Å; L104-I106 HydrophobicContact CD2-CD1 4.08Å; L104-I106 HydrophobicContact CD2-CG1 4.29Å; L104-I106 HydrophobicContact CG-CD1 4.38Å; L104-I106 HydrophobicContact CG-CG1 4.1Å; I106-D108 PolarHBondContact O-N 3.2Å; I106-V155 HydrophobicContact CG2-CG2 4.46Å; I106-L201 HydrophobicContact CD1-CD1 3.5Å; I106-M204 HydrophobicContact CD1-CB 4.06Å; I106-M204 HydrophobicContact CD1-SD 4.47Å; I106-M204 HydrophobicContact CG1-CB 4.4Å; I106-M204 PolarHBondContact N-O 3.38Å; I106-V205 WeakPolarHBondContact O-CA 3.13Å; I106-C206 PolarHBondContact O-N 2.69Å
107S98.8Very high96.8Very high0 Ų033.2 Ų33.20%017%0.172CC..EExtended strand (participates in β ladder)trans-60.4129.5175.9-167.30000111I74 N76 R109 C110 S208I74-S107 WeakPolarHBondContact O-CB 3.42Å; I74-S107 PolarHBondContact O-N 3.41Å; N76-S107 WeakPolarHBondContact CB-OG 3.48Å; S107-R109 PolarHBondContact O-N 2.98Å; S107-R109 VanDerWaalsContact O-N 3.09Å; S107-R109 PolarHBondContact OG-N 3.34Å; S107-C110 WeakPolarHBondContact O-CB 3.35Å; S107-C110 PolarHBondContact O-N 2.88Å; S107-C110 VanDerWaalsContact O-N 3.12Å; S107-S208 WeakPolarHBondContact CB-OG 3.16Å; S107-S208 PolarHBondContact OG-OG 3Å
108D98.7Very high97Very high36 Ų3633.8 Ų33.819%0.19317%0.174CC..THydrogen-bonded Turntrans-57.1-18166.667.4-15.4000113I106 C156 V205 C206I106-D108 PolarHBondContact O-N 3.2Å; D108-C156 HydrophobicContact CB-CB 4.18Å; D108-C156 VanDerWaalsContact O-CB 3.27Å; D108-C156 WeakPolarHBondContact O-CB 3.32Å; D108-C156 PolarHBondContact O-N 2.69Å; D108-V205 HydrophobicContact CB-CG1 3.83Å; D108-C206 PolarHBondContact N-O 3Å
109R98.6Very high97.4Very high82 Ų8230.7 Ų30.731%0.30916%0.156SC..THydrogen-bonded Turntrans-95.7-1.1179.2-69170.6-167.990.7-12114.4N76 S107 H111 R154 D207N76-R109 HydrophobicContact CB-CB 3.68Å; S107-R109 PolarHBondContact O-N 2.98Å; S107-R109 VanDerWaalsContact O-N 3.09Å; S107-R109 PolarHBondContact OG-N 3.34Å; R109-H111 PolarHBondContact O-N 2.64Å; R109-R154 WeakPolarHBondContact O-CD 3.34Å; R109-D207 IonicContact CZ-OD1 3.73Å; R109-D207 IonicContact CZ-OD2 3.49Å; R109-D207 IonicContact NH1-OD1 3Å; R109-D207 PolarHBondContact NH1-OD1 2.78Å; R109-D207 IonicContact NH1-OD2 2.72Å; R109-D207 PolarHBondContact NH1-OD2 2.77Å; R109-D207 VanDerWaalsContact NH1-OD2 3.17Å; R109-D207 IonicContact NH2-OD1 3.52Å; R109-D207 IonicContact NH2-OD2 3.51Å; R109-D207 PolarHBondContact NH2-OD2 2.95Å
110C98.8Very high97.7Very high0 Ų025.8 Ų25.80%013%0.13CC..PPolyproline II helixtrans-58.4135.3172.1-740000110.5G75 V80 S107 R154 V155G75-C110 PolarHBondContact O-SG 3.01Å; V80-C110 HydrophobicContact CG2-CB 3.87Å; S107-C110 WeakPolarHBondContact O-CB 3.35Å; S107-C110 PolarHBondContact O-N 2.88Å; S107-C110 VanDerWaalsContact O-N 3.12Å; C110-R154 CarbonylContact O-C 3.59Å; C110-R154 WeakPolarHBondContact O-CA 3.28Å; C110-R154 WeakPolarHBondContact O-CB 3.4Å; C110-V155 HydrophobicContact CB-CG2 3.84Å; C110-V155 PolarHBondContact O-N 3.32Å
111H98.9Very high97.7Very high23 Ų2326 Ų2611%0.10613%0.131CC..EExtended strand (participates in β ladder)trans-79.5143.6171.8-7969000110.5V79 V80 R109 T143V79-H111 CarbonylContact C-O 3.35Å; V79-H111 WeakPolarHBondContact CA-O 3.4Å; V79-H111 HydrophobicContact CG1-CB 4.16Å; V80-H111 PolarHBondContact N-O 3.47Å; R109-H111 PolarHBondContact O-N 2.64Å; H111-T143 HydrophobicContact CB-CG2 4Å
112L98.9Very high97.8Very high2 Ų227.7 Ų27.71%0.0113%0.129CC..EExtended strand (participates in β ladder)trans-89.7131.1-178.9-65.5170.5000110.8V80 L82 F114 H117 T143 L153 V155 L158 F165V80-L112 WeakPolarHBondContact O-CA 3.38Å; L82-L112 HydrophobicContact CD1-CD2 3.95Å; L82-L112 HydrophobicContact CD2-CD2 4.16Å; L82-L112 HydrophobicContact CG-CD2 3.97Å; L112-F114 HydrophobicContact CB-CD1 4.44Å; L112-F114 HydrophobicContact CB-CE1 3.78Å; L112-F114 HydrophobicContact CB-CE2 4.15Å; L112-F114 HydrophobicContact CB-CZ 3.62Å; L112-F114 HydrophobicContact CD1-CE1 4.07Å; L112-F114 HydrophobicContact CD1-CZ 3.94Å; L112-F114 HydrophobicContact CG-CZ 4.44Å; L112-H117 PolarHBondContact O-CE1 2.63Å; L112-T143 WeakPolarHBondContact O-CG2 3.31Å; L112-L153 PolarHBondContact N-O 3.33Å; L112-V155 HydrophobicContact CD2-CG2 3.89Å; L112-V155 HydrophobicContact CG-CG2 4.5Å; L112-L158 HydrophobicContact CD1-CB 3.86Å; L112-L158 HydrophobicContact CD1-CD2 4.09Å; L112-F165 HydrophobicContact CD1-CE2 4.31Å
113V98.8Very high97.8Very high7 Ų725.7 Ų25.74%0.04211%0.112CC..  trans-89.8114.1170.4-176.70000108V79 V80 N81 H117 Q118 K138 I140 T143V79-V113 HydrophobicContact CB-CG2 3.74Å; V79-V113 HydrophobicContact CG2-CG2 3.68Å; V80-V113 PolarHBondContact O-N 3.35Å; N81-V113 HydrophobicContact CB-CB 3.85Å; N81-V113 HydrophobicContact CB-CG1 4.23Å; N81-V113 HydrophobicContact CB-CG2 4.45Å; N81-V113 PolarHBondContact ND2-O 3.49Å; V113-H117 HydrophobicContact CG1-CB 4.37Å; V113-Q118 HydrophobicContact CG1-CG 4.45Å; V113-K138 WeakPolarHBondContact CG1-O 3.44Å; V113-I140 HydrophobicContact CG2-CD1 4.31Å; V113-T143 HydrophobicContact CG2-CG2 4.01Å
114F98.3Very high97.7Very high8 Ų826.4 Ų26.44%0.03512%0.117CC..  trans-100.5166.6178.2-58.7-60.6000111.9L112 I116 H117 Q118 L153 F165 Y169 L172 L194L112-F114 HydrophobicContact CB-CD1 4.44Å; L112-F114 HydrophobicContact CB-CE1 3.78Å; L112-F114 HydrophobicContact CB-CE2 4.15Å; L112-F114 HydrophobicContact CB-CZ 3.62Å; L112-F114 HydrophobicContact CD1-CE1 4.07Å; L112-F114 HydrophobicContact CD1-CZ 3.94Å; L112-F114 HydrophobicContact CG-CZ 4.44Å; F114-I116 VanDerWaalsContact C-N 3.27Å; F114-I116 HydrophobicContact CB-CG1 3.84Å; F114-I116 PolarHBondContact O-N 3.23Å; F114-H117 AromaticContact CD2-CE1 3.62Å; F114-H117 PolarHBondContact N-ND1 2.68Å; F114-H117 WeakPolarHBondContact O-CA 3.33Å; F114-H117 VanDerWaalsContact O-CB 3.3Å; F114-H117 WeakPolarHBondContact O-CB 3.29Å; F114-H117 PolarHBondContact O-N 3.41Å; F114-Q118 PolarHBondContact O-N 2.87Å; F114-L153 HydrophobicContact CE2-CB 3.95Å; F114-L153 HydrophobicContact CE2-CD1 4.31Å; F114-L153 HydrophobicContact CE2-CG 4.49Å; F114-L153 HydrophobicContact CZ-CB 3.9Å; F114-L153 HydrophobicContact CZ-CD2 4.28Å; F114-F165 HydrophobicContact CE1-CZ 4.34Å; F114-F165 HydrophobicContact CZ-CE2 4.48Å; F114-F165 HydrophobicContact CZ-CZ 4.3Å; F114-Y169 HydrophobicContact CB-CE2 4.23Å; F114-Y169 HydrophobicContact CD1-CD2 4.36Å; F114-Y169 AromaticContact CD1-CE2 3.81Å; F114-Y169 HydrophobicContact CD1-CE2 3.81Å; F114-Y169 HydrophobicContact CD2-CD2 4.23Å; F114-Y169 AromaticContact CD2-CE2 3.95Å; F114-Y169 HydrophobicContact CD2-CE2 3.95Å; F114-Y169 HydrophobicContact CE1-CD2 4.18Å; F114-Y169 HydrophobicContact CE1-CE2 4.08Å; F114-Y169 HydrophobicContact CE2-CD2 4.05Å; F114-Y169 HydrophobicContact CE2-CE2 4.21Å; F114-Y169 HydrophobicContact CG-CD2 4.38Å; F114-Y169 AromaticContact CG-CE2 3.74Å; F114-Y169 HydrophobicContact CG-CE2 3.74Å; F114-Y169 HydrophobicContact CZ-CD2 4.02Å; F114-Y169 HydrophobicContact CZ-CE2 4.28Å; F114-L172 HydrophobicContact CD2-CD2 3.91Å; F114-L172 HydrophobicContact CE2-CD2 3.94Å; F114-L194 HydrophobicContact CD1-CD1 4.12Å; F114-L194 HydrophobicContact CD1-CD2 4.17Å; F114-L194 HydrophobicContact CE1-CD1 3.87Å; F114-L194 HydrophobicContact CE1-CD2 3.88Å
115D96.6Very high97.4Very high54 Ų5426.9 Ų26.929%0.28912%0.119SC..Hα-helixtrans-61.5-33.5177.2-63.7-26.1000113.5H117 Q118 E119D115-H117 PolarHBondContact O-N 3.11Å; D115-Q118 WeakPolarHBondContact O-CB 3.3Å; D115-Q118 PolarHBondContact O-N 2.84Å; D115-Q118 VanDerWaalsContact O-N 3.1Å; D115-Q118 PolarHBondContact OD1-NE2 2.94Å; D115-E119 PolarHBondContact O-N 2.85Å
116I97.4Very high97.2Very high2 Ų231 Ų311%0.0114%0.142CC..Hα-helixtrans-56.5-39.2170.158.1-179.9000111.8F114 Q118 E119 I120 L172 V173 V176 L183 I185F114-I116 VanDerWaalsContact C-N 3.27Å; F114-I116 HydrophobicContact CB-CG1 3.84Å; F114-I116 PolarHBondContact O-N 3.23Å; I116-Q118 VanDerWaalsContact C-N 3.33Å; I116-E119 PolarHBondContact O-N 3.4Å; I116-I120 WeakPolarHBondContact O-CB 3.18Å; I116-I120 VanDerWaalsContact O-CD1 3.23Å; I116-I120 WeakPolarHBondContact O-CD1 3.39Å; I116-I120 WeakPolarHBondContact O-CG1 3.42Å; I116-I120 PolarHBondContact O-N 3.38Å; I116-L172 HydrophobicContact CD1-CD2 3.81Å; I116-L172 HydrophobicContact CD1-CG 3.71Å; I116-V173 HydrophobicContact CD1-CG2 4.09Å; I116-V173 HydrophobicContact CG2-CG2 4.16Å; I116-V176 HydrophobicContact CD1-CG2 4.36Å; I116-L183 HydrophobicContact CB-CD2 4.33Å; I116-L183 HydrophobicContact CG2-CD2 3.9Å; I116-I185 HydrophobicContact CB-CD1 4.49Å; I116-I185 HydrophobicContact CG2-CB 4.3Å; I116-I185 HydrophobicContact CG2-CD1 3.18Å; I116-I185 HydrophobicContact CG2-CG1 4.3Å; I116-I185 HydrophobicContact CG2-CG2 4.14Å
117H98.2Very high96.9Very high0 Ų037.5 Ų37.50%018%0.175CC..Hα-helixtrans-67.9-39.3178.9-60.2149.9000110.3L112 V113 F114 D115 D121 G139 P142 T143 S146L112-H117 PolarHBondContact O-CE1 2.63Å; V113-H117 HydrophobicContact CG1-CB 4.37Å; F114-H117 AromaticContact CD2-CE1 3.62Å; F114-H117 PolarHBondContact N-ND1 2.68Å; F114-H117 WeakPolarHBondContact O-CA 3.33Å; F114-H117 VanDerWaalsContact O-CB 3.3Å; F114-H117 WeakPolarHBondContact O-CB 3.29Å; F114-H117 PolarHBondContact O-N 3.41Å; D115-H117 PolarHBondContact O-N 3.11Å; H117-D121 WeakPolarHBondContact O-CB 3.2Å; H117-D121 PolarHBondContact O-N 3.17Å; H117-G139 VanDerWaalsContact C-CA 3.45Å; H117-G139 VanDerWaalsContact O-CA 3.24Å; H117-G139 WeakPolarHBondContact O-CA 3.2Å; H117-P142 HydrophobicContact CB-CB 4.04Å; H117-T143 PolarHBondContact ND1-OG1 3.31Å; H117-S146 PolarHBondContact NE2-OG 2.9Å; H117-S146 VanDerWaalsContact NE2-OG 3.13Å
118Q97.5Very high96.6Very high25 Ų2541.2 Ų41.212%0.11719%0.189CC..Hα-helixtrans-65-41.1176.7-53.2-167.576.500111.8N81 V113 F114 D115 I116 D121 R122N81-Q118 PolarHBondContact ND2-NE2 3.22Å; V113-Q118 HydrophobicContact CG1-CG 4.45Å; F114-Q118 PolarHBondContact O-N 2.87Å; D115-Q118 WeakPolarHBondContact O-CB 3.3Å; D115-Q118 PolarHBondContact O-N 2.84Å; D115-Q118 VanDerWaalsContact O-N 3.1Å; D115-Q118 PolarHBondContact OD1-NE2 2.94Å; I116-Q118 VanDerWaalsContact C-N 3.33Å; Q118-D121 PolarHBondContact O-N 3.41Å; Q118-R122 WeakPolarHBondContact O-CG 3.39Å; Q118-R122 PolarHBondContact O-N 3.21Å; Q118-R122 VanDerWaalsContact O-N 3.12Å; Q118-R122 PolarHBondContact O-NH1 2.81Å
119E96.6Very high96.3Very high60 Ų6041.7 Ų41.728%0.2820%0.203SC..Hα-helixtrans-70.1-42.7178.7-172.558.4-154.600111.9D115 I116 D121 R122 M123 L183D115-E119 PolarHBondContact O-N 2.85Å; I116-E119 PolarHBondContact O-N 3.4Å; E119-D121 VanDerWaalsContact C-N 3.3Å; E119-D121 PolarHBondContact O-N 3.27Å; E119-R122 WeakPolarHBondContact O-CB 3.27Å; E119-R122 PolarHBondContact O-N 3.47Å; E119-R122 IonicContact OE2-CZ 3.18Å; E119-R122 IonicContact OE2-NE 3.79Å; E119-R122 PolarHBondContact OE2-NE 3.05Å; E119-R122 IonicContact OE2-NH2 3.74Å; E119-R122 PolarHBondContact OE2-NH2 2.91Å; E119-M123 HydrophobicContact CG-CG 4.48Å; E119-M123 HydrophobicContact CG-SD 4.19Å; E119-M123 VanDerWaalsContact O-CG 3.28Å; E119-M123 WeakPolarHBondContact O-CG 3.36Å; E119-M123 PolarHBondContact O-N 3.47Å; E119-L183 HydrophobicContact CB-CD1 3.68Å; E119-L183 HydrophobicContact CG-CD1 3.4Å; E119-L183 VanDerWaalsContact CG-CD1 3.4Å
120I96.5Very high95.8Very high9 Ų947.4 Ų47.45%0.04623%0.233CC..Hα-helixtrans-57.9-44.7173-65158.3000110.7I116 R122 M123 E124 P142 V176 Y180I116-I120 WeakPolarHBondContact O-CB 3.18Å; I116-I120 VanDerWaalsContact O-CD1 3.23Å; I116-I120 WeakPolarHBondContact O-CD1 3.39Å; I116-I120 WeakPolarHBondContact O-CG1 3.42Å; I116-I120 PolarHBondContact O-N 3.38Å; I120-R122 VanDerWaalsContact C-N 3.3Å; I120-R122 PolarHBondContact O-N 3.38Å; I120-M123 PolarHBondContact O-N 3.42Å; I120-E124 HydrophobicContact CG2-CG 4.08Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.45Å; I120-E124 WeakPolarHBondContact O-CB 3.49Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 2.99Å; I120-P142 HydrophobicContact CB-CB 4.34Å; I120-P142 HydrophobicContact CB-CG 4.19Å; I120-P142 HydrophobicContact CG2-CB 4.18Å; I120-P142 HydrophobicContact CG2-CG 3.9Å; I120-V176 HydrophobicContact CD1-CB 4.2Å; I120-V176 HydrophobicContact CD1-CG1 3.3Å; I120-V176 HydrophobicContact CD1-CG2 3.75Å; I120-V176 HydrophobicContact CG1-CG1 3.62Å; I120-Y180 HydrophobicContact CG1-CD2 4.01Å; I120-Y180 HydrophobicContact CG1-CE2 4.11Å; I120-Y180 HydrophobicContact CG2-CD2 4.39Å; I120-Y180 HydrophobicContact CG2-CE2 3.7Å
121D96.6Very high95.2Very high5 Ų553.7 Ų53.73%0.02727%0.267CS..Hα-helixtrans-59.3-42.3178.8-165.22.8000111.1H117 Q118 E119 E125 T135 K137 K138 G139 P142H117-D121 WeakPolarHBondContact O-CB 3.2Å; H117-D121 PolarHBondContact O-N 3.17Å; Q118-D121 PolarHBondContact O-N 3.41Å; E119-D121 VanDerWaalsContact C-N 3.3Å; E119-D121 PolarHBondContact O-N 3.27Å; D121-E125 WeakPolarHBondContact O-CG 3.48Å; D121-E125 PolarHBondContact O-N 3.08Å; D121-E125 VanDerWaalsContact O-N 3.09Å; D121-T135 VanDerWaalsContact OD1-CB 3.28Å; D121-T135 WeakPolarHBondContact OD1-CB 3.25Å; D121-T135 WeakPolarHBondContact OD1-CG2 3.26Å; D121-T135 PolarHBondContact OD1-OG1 3.11Å; D121-K137 WeakPolarHBondContact OD2-CA 3.46Å; D121-K137 PolarHBondContact OD2-N 3.42Å; D121-K138 PolarHBondContact OD2-N 3.31Å; D121-K138 VanDerWaalsContact OD2-N 3.13Å; D121-G139 PolarHBondContact OD2-N 3.13Å; D121-P142 HydrophobicContact CB-CG 3.94Å
122R95.8Very high94.8Very high93 Ų9354.6 Ų54.635%0.35128%0.275SS..Hα-helixtrans-61.9-50.8173.6-74-172.4-73-88.811.1112.5Q118 E119 I120 E124 E125 E126 K137Q118-R122 WeakPolarHBondContact O-CG 3.39Å; Q118-R122 PolarHBondContact O-N 3.21Å; Q118-R122 VanDerWaalsContact O-N 3.12Å; Q118-R122 PolarHBondContact O-NH1 2.81Å; E119-R122 WeakPolarHBondContact O-CB 3.27Å; E119-R122 PolarHBondContact O-N 3.47Å; E119-R122 IonicContact OE2-CZ 3.18Å; E119-R122 IonicContact OE2-NE 3.79Å; E119-R122 PolarHBondContact OE2-NE 3.05Å; E119-R122 IonicContact OE2-NH2 3.74Å; E119-R122 PolarHBondContact OE2-NH2 2.91Å; I120-R122 VanDerWaalsContact C-N 3.3Å; I120-R122 PolarHBondContact O-N 3.38Å; R122-E124 VanDerWaalsContact C-N 3.35Å; R122-E124 PolarHBondContact O-N 3.49Å; R122-E125 PolarHBondContact O-N 3.09Å; R122-E126 PolarHBondContact O-N 2.84Å; R122-K137 HydrophobicContact CG-CB 3.78Å; R122-K137 HydrophobicContact CG-CD 4.09Å; R122-K137 HydrophobicContact CG-CG 4.03Å
123M95.4Very high94.3Very high28 Ų2856.9 Ų56.914%0.13829%0.287CS..Hα-helixtrans-62.5-41.2-178.4-66.8175.98100111.6E119 I120 E126 L127 Y180 K182 L183E119-M123 HydrophobicContact CG-CG 4.48Å; E119-M123 HydrophobicContact CG-SD 4.19Å; E119-M123 VanDerWaalsContact O-CG 3.28Å; E119-M123 WeakPolarHBondContact O-CG 3.36Å; E119-M123 PolarHBondContact O-N 3.47Å; I120-M123 PolarHBondContact O-N 3.42Å; M123-E126 PolarHBondContact O-N 3.32Å; M123-L127 WeakPolarHBondContact O-CB 3.28Å; M123-L127 VanDerWaalsContact O-CG 3.24Å; M123-L127 WeakPolarHBondContact O-CG 3.24Å; M123-L127 PolarHBondContact O-N 3.35Å; M123-Y180 HydrophobicContact CE-CD1 4.22Å; M123-Y180 HydrophobicContact SD-CD1 4.39Å; M123-K182 HydrophobicContact CE-CB 4.05Å; M123-L183 HydrophobicContact SD-CD1 4.41Å
124E95Very high93.8Very high47 Ų4757.2 Ų57.222%0.2229%0.293CS..Hα-helixtrans-66.6-41.4177.9-75-175.3-175.400112.2I120 R122 E126 L127 R128 Y180I120-E124 HydrophobicContact CG2-CG 4.08Å; I120-E124 WeakPolarHBondContact CG2-OE1 3.45Å; I120-E124 WeakPolarHBondContact O-CB 3.49Å; I120-E124 WeakPolarHBondContact O-CG 3.39Å; I120-E124 PolarHBondContact O-N 2.99Å; R122-E124 VanDerWaalsContact C-N 3.35Å; R122-E124 PolarHBondContact O-N 3.49Å; E124-E126 VanDerWaalsContact C-N 3.34Å; E124-L127 PolarHBondContact O-N 3.49Å; E124-R128 VanDerWaalsContact O-CG 3.31Å; E124-R128 WeakPolarHBondContact O-CG 3.35Å; E124-R128 PolarHBondContact O-N 3.34Å; E124-R128 IonicContact OE2-NH2 3.02Å; E124-R128 PolarHBondContact OE2-NH2 3.19Å; E124-Y180 HydrophobicContact CG-CE1 4.3Å; E124-Y180 PolarHBondContact OE1-OH 2.67Å
125E93.4Very high93.4Very high10 Ų1059 Ų595%0.04730%0.304CS..Hα-helixtrans-64-38.6174.3-80-63.9103.500112.6D121 R122 R128 S132 L133 G134 T135D121-E125 WeakPolarHBondContact O-CG 3.48Å; D121-E125 PolarHBondContact O-N 3.08Å; D121-E125 VanDerWaalsContact O-N 3.09Å; R122-E125 PolarHBondContact O-N 3.09Å; E125-R128 PolarHBondContact O-N 3.44Å; E125-R128 WeakPolarHBondContact OE1-CD 3.3Å; E125-R128 IonicContact OE1-CZ 2.59Å; E125-R128 IonicContact OE1-NE 2.8Å; E125-R128 IonicContact OE1-NH1 3.83Å; E125-R128 PolarHBondContact OE1-NH1 3.23Å; E125-S132 PolarHBondContact OE2-OG 2.81Å; E125-L133 PolarHBondContact OE1-N 3.15Å; E125-L133 PolarHBondContact OE2-N 2.84Å; E125-G134 WeakPolarHBondContact OE2-CA 3.38Å; E125-G134 PolarHBondContact OE2-N 3.04Å; E125-T135 HydrophobicContact CG-CG2 3.85Å; E125-T135 VanDerWaalsContact CG-OG1 3.22Å; E125-T135 WeakPolarHBondContact CG-OG1 3.07Å; E125-T135 PolarHBondContact OE2-N 2.96Å
126E93.1Very high93.2Very high161 Ų16158.1 Ų58.175%0.75230%0.301SS*.Hα-helixtrans-63.7-44.8174.9-174.4-179.3174.300111.4R122 M123 E124 R128 G129R122-E126 PolarHBondContact O-N 2.84Å; M123-E126 PolarHBondContact O-N 3.32Å; E124-E126 VanDerWaalsContact C-N 3.34Å; E126-R128 VanDerWaalsContact C-N 3.28Å; E126-R128 PolarHBondContact O-N 2.8Å; E126-G129 PolarHBondContact O-N 3.16Å
127L93Very high93.1Very high136 Ų13662.9 Ų62.971%0.71232%0.322SS*.Hα-helixtrans-65.6-29.1178.6-73.2171.8000113.3M123 E124 G129M123-L127 WeakPolarHBondContact O-CB 3.28Å; M123-L127 VanDerWaalsContact O-CG 3.24Å; M123-L127 WeakPolarHBondContact O-CG 3.24Å; M123-L127 PolarHBondContact O-N 3.35Å; E124-L127 PolarHBondContact O-N 3.49Å; L127-G129 VanDerWaalsContact C-N 3.29Å; L127-G129 PolarHBondContact O-N 3.28Å
128R92.8Very high93Very high77 Ų7766.5 Ų66.529%0.29134%0.337SS..Hα-helixtrans-68.9-26.9176.1-76.5176.1-172112.314.5112.7E124 E125 E126 E130 N131E124-R128 VanDerWaalsContact O-CG 3.31Å; E124-R128 WeakPolarHBondContact O-CG 3.35Å; E124-R128 PolarHBondContact O-N 3.34Å; E124-R128 IonicContact OE2-NH2 3.02Å; E124-R128 PolarHBondContact OE2-NH2 3.19Å; E125-R128 PolarHBondContact O-N 3.44Å; E125-R128 WeakPolarHBondContact OE1-CD 3.3Å; E125-R128 IonicContact OE1-CZ 2.59Å; E125-R128 IonicContact OE1-NE 2.8Å; E125-R128 IonicContact OE1-NH1 3.83Å; E125-R128 PolarHBondContact OE1-NH1 3.23Å; E126-R128 VanDerWaalsContact C-N 3.28Å; E126-R128 PolarHBondContact O-N 2.8Å; R128-E130 PolarHBondContact O-N 2.91Å; R128-N131 WeakPolarHBondContact O-CB 3.49Å; R128-N131 PolarHBondContact O-N 2.81Å
129G91.2Very high93Very high46 Ų4665.3 Ų65.347%0.47433%0.332SS..G310 helixtrans53.9-120.5179.800000112.3E126 L127 N131 S132E126-G129 PolarHBondContact O-N 3.16Å; L127-G129 VanDerWaalsContact C-N 3.29Å; L127-G129 PolarHBondContact O-N 3.28Å; G129-N131 PolarHBondContact O-N 2.89Å; G129-S132 WeakPolarHBondContact O-CB 3.47Å; G129-S132 PolarHBondContact O-N 2.82Å
130E88.4Confident93.1Very high202 Ų20262.8 Ų62.894%0.94432%0.32SS*.G310 helixtrans-60.2-25.1178.1-62.8-178.7169.500113.3R128 S132R128-E130 PolarHBondContact O-N 2.91Å; E130-S132 VanDerWaalsContact C-N 3.26Å; E130-S132 PolarHBondContact O-N 2.83Å
131N87.8Confident93.1Very high132 Ų13263.5 Ų63.571%0.70633%0.329SS*.G310 helixtrans-89.823.4176.3-62.6-53.3000113R128 G129 L133R128-N131 WeakPolarHBondContact O-CB 3.49Å; R128-N131 PolarHBondContact O-N 2.81Å; G129-N131 PolarHBondContact O-N 2.89Å; N131-L133 PolarHBondContact O-N 3.27Å
132S89.8Confident93.2Very high42 Ų4263.7 Ų63.729%0.29433%0.331SS..  trans-54133177.21670000111.2E125 G129 E130 G134 S280E125-S132 PolarHBondContact OE2-OG 2.81Å; G129-S132 WeakPolarHBondContact O-CB 3.47Å; G129-S132 PolarHBondContact O-N 2.82Å; E130-S132 VanDerWaalsContact C-N 3.26Å; E130-S132 PolarHBondContact O-N 2.83Å; S132-G134 VanDerWaalsContact C-N 3.26Å; S132-G134 PolarHBondContact OG-N 2.79Å; S132-G134 VanDerWaalsContact OG-N 3.15Å; S132-S280 PolarHBondContact O-OG 3.09Å
133L88.1Confident93.3Very high50 Ų5059.3 Ų59.326%0.26232%0.315SS..  trans-79.9-16.7174.6-61.4179000111.3E125 N131 T135 P241E125-L133 PolarHBondContact OE1-N 3.15Å; E125-L133 PolarHBondContact OE2-N 2.84Å; N131-L133 PolarHBondContact O-N 3.27Å; L133-T135 HydrophobicContact CB-CG2 4.27Å; L133-P241 HydrophobicContact CD2-CB 4Å; L133-P241 HydrophobicContact CD2-CG 3.81Å
134G88.3Confident93.5Very high15 Ų1558.9 Ų58.916%0.15531%0.312CS..  trans7540-178.800000112.2E125 S132 R308E125-G134 WeakPolarHBondContact OE2-CA 3.38Å; E125-G134 PolarHBondContact OE2-N 3.04Å; S132-G134 VanDerWaalsContact C-N 3.26Å; S132-G134 PolarHBondContact OG-N 2.79Å; S132-G134 VanDerWaalsContact OG-N 3.15Å; G134-R308 PolarHBondContact O-NH2 3.39Å
135T90.8Very high93.6Very high44 Ų4459.7 Ų59.727%0.2732%0.323SS..  trans-61.4161.8179.279.30000111.3D121 E125 L133 K137D121-T135 VanDerWaalsContact OD1-CB 3.28Å; D121-T135 WeakPolarHBondContact OD1-CB 3.25Å; D121-T135 WeakPolarHBondContact OD1-CG2 3.26Å; D121-T135 PolarHBondContact OD1-OG1 3.11Å; E125-T135 HydrophobicContact CG-CG2 3.85Å; E125-T135 VanDerWaalsContact CG-OG1 3.22Å; E125-T135 WeakPolarHBondContact CG-OG1 3.07Å; E125-T135 PolarHBondContact OE2-N 2.96Å; L133-T135 HydrophobicContact CB-CG2 4.27Å; T135-K137 PolarHBondContact O-N 3.23Å; T135-K137 PolarHBondContact OG1-N 3.17Å
136T91.3Very high93.9Very high36 Ų3659.7 Ų59.722%0.22132%0.324CS..  trans-76.7-3.9175.459.60000113N44 K138 T305 T306N44-T136 HydrophobicContact CB-CG2 3.7Å; N44-T136 VanDerWaalsContact CB-OG1 3.32Å; N44-T136 WeakPolarHBondContact CB-OG1 3.41Å; T136-K138 PolarHBondContact O-N 3.41Å; T136-K138 WeakPolarHBondContact OG1-CB 3.41Å; T136-K138 WeakPolarHBondContact OG1-CG 3.37Å; T136-T305 HydrophobicContact CG2-CG2 4.37Å; T136-T306 HydrophobicContact CG2-CG2 3.98Å
137K94.6Very high94.1Very high103 Ų10356.1 Ų56.145%0.44831%0.306SS..SBendtrans58.226-176.6-60.5169.1177.2-1720112.8D121 R122 T135D121-K137 WeakPolarHBondContact OD2-CA 3.46Å; D121-K137 PolarHBondContact OD2-N 3.42Å; R122-K137 HydrophobicContact CG-CB 3.78Å; R122-K137 HydrophobicContact CG-CD 4.09Å; R122-K137 HydrophobicContact CG-CG 4.03Å; T135-K137 PolarHBondContact O-N 3.23Å; T135-K137 PolarHBondContact OG1-N 3.17Å
138K96.7Very high94.3Very high76 Ų7655.2 Ų55.233%0.3331%0.305SS..SBendtrans-97.34.3-179.7-63.6-60.1-174.7176.90112.5V113 D121 T136 I140V113-K138 WeakPolarHBondContact CG1-O 3.44Å; D121-K138 PolarHBondContact OD2-N 3.31Å; D121-K138 VanDerWaalsContact OD2-N 3.13Å; T136-K138 PolarHBondContact O-N 3.41Å; T136-K138 WeakPolarHBondContact OG1-CB 3.41Å; T136-K138 WeakPolarHBondContact OG1-CG 3.37Å; K138-I140 VanDerWaalsContact C-N 3.34Å; K138-I140 HydrophobicContact CB-CD1 4.37Å; K138-I140 HydrophobicContact CB-CG1 4.21Å; K138-I140 PolarHBondContact O-N 3.45Å
139G97.7Very high94.6Very high0 Ų054.5 Ų54.50%031%0.31CS..SBendtrans78.216.6175.700000114.5H117 D121 T143H117-G139 VanDerWaalsContact C-CA 3.45Å; H117-G139 VanDerWaalsContact O-CA 3.24Å; H117-G139 WeakPolarHBondContact O-CA 3.2Å; D121-G139 PolarHBondContact OD2-N 3.13Å; G139-T143 VanDerWaalsContact O-CB 3.3Å; G139-T143 WeakPolarHBondContact O-CB 3.31Å; G139-T143 PolarHBondContact O-N 3.02Å; G139-T143 PolarHBondContact O-OG1 3.47Å
140I97.9Very high94.9Very high6 Ų663.3 Ų63.33%0.03133%0.329CS..Hα-helixtrans-66.6-53.6-177.2-55-52.4000110.6N43 N44 V79 V113 K138 T143 Y144N43-I140 WeakPolarHBondContact OD1-CD1 3.31Å; N44-I140 HydrophobicContact CB-CG1 3.71Å; V79-I140 HydrophobicContact CG2-CD1 3.75Å; V79-I140 HydrophobicContact CG2-CG2 4.04Å; V113-I140 HydrophobicContact CG2-CD1 4.31Å; K138-I140 VanDerWaalsContact C-N 3.34Å; K138-I140 HydrophobicContact CB-CD1 4.37Å; K138-I140 HydrophobicContact CB-CG1 4.21Å; K138-I140 PolarHBondContact O-N 3.45Å; I140-T143 PolarHBondContact O-N 3.18Å; I140-T143 VanDerWaalsContact O-N 3.17Å; I140-Y144 HydrophobicContact CG2-CD2 3.83Å; I140-Y144 HydrophobicContact CG2-CE2 3.79Å; I140-Y144 WeakPolarHBondContact O-CD2 3.34Å; I140-Y144 PolarHBondContact O-N 3.04Å
141G97.8Very high95.3Very high24 Ų2455.4 Ų55.425%0.24729%0.293CS..Hα-helixtrans-57.5-52.5177.900000112.8T143 Y144 S145 S245G141-T143 VanDerWaalsContact C-N 3.27Å; G141-T143 PolarHBondContact O-N 3.38Å; G141-Y144 PolarHBondContact O-N 2.65Å; G141-S145 WeakPolarHBondContact O-CB 3.49Å; G141-S145 PolarHBondContact O-N 3.39Å; G141-S245 VanDerWaalsContact CA-OG 3.28Å; G141-S245 WeakPolarHBondContact CA-OG 3.1Å
142P98.1Very high95.8Very high10 Ų1050 Ų507%0.06527%0.269CS..Hα-helixtrans-58.1-35.1175.1-3038.1000113.9H117 I120 D121 S145 S146H117-P142 HydrophobicContact CB-CB 4.04Å; I120-P142 HydrophobicContact CB-CB 4.34Å; I120-P142 HydrophobicContact CB-CG 4.19Å; I120-P142 HydrophobicContact CG2-CB 4.18Å; I120-P142 HydrophobicContact CG2-CG 3.9Å; D121-P142 HydrophobicContact CB-CG 3.94Å; P142-S145 WeakPolarHBondContact O-CB 3.36Å; P142-S145 PolarHBondContact O-N 2.92Å; P142-S146 PolarHBondContact O-N 3.21Å; P142-S146 PolarHBondContact O-OG 3.3Å; P142-S146 VanDerWaalsContact O-OG 3.06Å
143T98.8Very high96.3Very high1 Ų148.2 Ų48.21%0.00626%0.256CS..Hα-helixtrans-68.8-43.6176.7-55.30000112.1V79 H111 L112 V113 H117 G139 I140 G141 S145 S146 K147V79-T143 HydrophobicContact CB-CG2 3.85Å; V79-T143 HydrophobicContact CG1-CG2 3.77Å; H111-T143 HydrophobicContact CB-CG2 4Å; L112-T143 WeakPolarHBondContact O-CG2 3.31Å; V113-T143 HydrophobicContact CG2-CG2 4.01Å; H117-T143 PolarHBondContact ND1-OG1 3.31Å; G139-T143 VanDerWaalsContact O-CB 3.3Å; G139-T143 WeakPolarHBondContact O-CB 3.31Å; G139-T143 PolarHBondContact O-N 3.02Å; G139-T143 PolarHBondContact O-OG1 3.47Å; I140-T143 PolarHBondContact O-N 3.18Å; I140-T143 VanDerWaalsContact O-N 3.17Å; G141-T143 VanDerWaalsContact C-N 3.27Å; G141-T143 PolarHBondContact O-N 3.38Å; T143-S145 VanDerWaalsContact C-N 3.32Å; T143-S146 PolarHBondContact O-N 3.25Å; T143-K147 PolarHBondContact O-N 3.3Å
144Y98.6Very high96.8Very high18 Ų1850.1 Ų50.17%0.07126%0.26CS..Hα-helixtrans-63.3-39.8172.8-83.9-78.3000111.2G41 G77 V79 I140 G141 S146 K147 V148 S245 S246G41-Y144 PolarHBondContact N-OH 2.83Å; G41-Y144 PolarHBondContact O-OH 3.25Å; G77-Y144 PolarHBondContact O-OH 3.12Å; V79-Y144 HydrophobicContact CB-CE2 4.39Å; V79-Y144 HydrophobicContact CG1-CD1 4.35Å; V79-Y144 HydrophobicContact CG1-CD2 3.87Å; V79-Y144 HydrophobicContact CG1-CE1 4.09Å; V79-Y144 HydrophobicContact CG1-CE2 3.6Å; V79-Y144 HydrophobicContact CG1-CG 4.25Å; V79-Y144 HydrophobicContact CG2-CD2 4.3Å; V79-Y144 HydrophobicContact CG2-CE2 3.85Å; I140-Y144 HydrophobicContact CG2-CD2 3.83Å; I140-Y144 HydrophobicContact CG2-CE2 3.79Å; I140-Y144 WeakPolarHBondContact O-CD2 3.34Å; I140-Y144 PolarHBondContact O-N 3.04Å; G141-Y144 PolarHBondContact O-N 2.65Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 3.1Å; Y144-K147 HydrophobicContact CD1-CD 4.45Å; Y144-K147 VanDerWaalsContact O-CB 3.29Å; Y144-K147 WeakPolarHBondContact O-CB 3.12Å; Y144-K147 PolarHBondContact O-N 2.86Å; Y144-K147 VanDerWaalsContact O-N 3.13Å; Y144-V148 WeakPolarHBondContact O-CG2 3.47Å; Y144-V148 PolarHBondContact O-N 3.37Å; Y144-S245 VanDerWaalsContact CD1-O 3.25Å; Y144-S245 WeakPolarHBondContact CD1-O 3.22Å; Y144-S245 VanDerWaalsContact CG-O 3.22Å; Y144-S246 VanDerWaalsContact OH-CB 3.31Å; Y144-S246 WeakPolarHBondContact OH-CB 3.32Å
145S98Very high97.3Very high65 Ų6549.4 Ų49.446%0.45525%0.253SS..Hα-helixtrans-58.4-44.1173-176.50000112G141 P142 T143 K147 V148 T149G141-S145 WeakPolarHBondContact O-CB 3.49Å; G141-S145 PolarHBondContact O-N 3.39Å; P142-S145 WeakPolarHBondContact O-CB 3.36Å; P142-S145 PolarHBondContact O-N 2.92Å; T143-S145 VanDerWaalsContact C-N 3.32Å; S145-K147 VanDerWaalsContact C-N 3.3Å; S145-K147 PolarHBondContact O-N 3.41Å; S145-V148 PolarHBondContact O-N 2.93Å; S145-V148 VanDerWaalsContact O-N 3.16Å; S145-T149 VanDerWaalsContact O-CB 3.26Å; S145-T149 WeakPolarHBondContact O-CB 3.47Å; S145-T149 PolarHBondContact O-N 2.86Å; S145-T149 PolarHBondContact O-OG1 3.23Å
146S98.5Very high97.6Very high10 Ų1049.2 Ų49.27%0.0725%0.253CS..Hα-helixtrans-61.8-36.9175.3-63.50000112.6H117 P142 T143 Y144 R150 N151 G152H117-S146 PolarHBondContact NE2-OG 2.9Å; H117-S146 VanDerWaalsContact NE2-OG 3.13Å; P142-S146 PolarHBondContact O-N 3.21Å; P142-S146 PolarHBondContact O-OG 3.3Å; P142-S146 VanDerWaalsContact O-OG 3.06Å; T143-S146 PolarHBondContact O-N 3.25Å; Y144-S146 VanDerWaalsContact C-N 3.34Å; Y144-S146 PolarHBondContact O-N 3.1Å; S146-R150 PolarHBondContact O-N 3.48Å; S146-N151 WeakPolarHBondContact CA-OD1 3.41Å; S146-N151 WeakPolarHBondContact CB-OD1 3.4Å; S146-N151 PolarHBondContact O-N 3.13Å; S146-N151 VanDerWaalsContact O-N 3.07Å; S146-N151 PolarHBondContact O-OD1 2.94Å; S146-G152 PolarHBondContact O-N 3.37Å
147K98.3Very high98Very high86 Ų8648.8 Ų48.837%0.37425%0.249SC..Hα-helixtrans-59.4-49.6171.8170.8-178.4176.8-173.80111.1T143 Y144 S145 R150T143-K147 PolarHBondContact O-N 3.3Å; Y144-K147 HydrophobicContact CD1-CD 4.45Å; Y144-K147 VanDerWaalsContact O-CB 3.29Å; Y144-K147 WeakPolarHBondContact O-CB 3.12Å; Y144-K147 PolarHBondContact O-N 2.86Å; Y144-K147 VanDerWaalsContact O-N 3.13Å; S145-K147 VanDerWaalsContact C-N 3.3Å; S145-K147 PolarHBondContact O-N 3.41Å; K147-R150 PolarHBondContact O-N 3.47Å
148V98.1Very high98.2Very high116 Ų11643.9 Ų43.970%0.70323%0.227SC*.Hα-helixtrans-72.7-33.7-177.2-146.50000112.1Y144 S145 R150Y144-V148 WeakPolarHBondContact O-CG2 3.47Å; Y144-V148 PolarHBondContact O-N 3.37Å; S145-V148 PolarHBondContact O-N 2.93Å; S145-V148 VanDerWaalsContact O-N 3.16Å; V148-R150 PolarHBondContact O-N 3.44Å
149T97.7Very high98.3Very high63 Ų6342.3 Ų42.339%0.38722%0.222SC..Hα-helixtrans-70.8-11.9173.8-56.50000112.5S145 N151 Y175S145-T149 VanDerWaalsContact O-CB 3.26Å; S145-T149 WeakPolarHBondContact O-CB 3.47Å; S145-T149 PolarHBondContact O-N 2.86Å; S145-T149 PolarHBondContact O-OG1 3.23Å; T149-N151 VanDerWaalsContact C-N 3.31Å; T149-N151 PolarHBondContact O-N 2.88Å; T149-Y175 HydrophobicContact CG2-CE1 4.41Å
150R98Very high98.3Very high230 Ų23043.9 Ų43.987%0.86824%0.238SC*.THydrogen-bonded Turntrans65.628.8179.4-46.4176.9-177.9174.2-1114.1S146 K147 V148S146-R150 PolarHBondContact O-N 3.48Å; K147-R150 PolarHBondContact O-N 3.47Å; V148-R150 PolarHBondContact O-N 3.44Å
151N97.4Very high98.3Very high36 Ų3647.7 Ų47.719%0.19326%0.258CS..  trans-119.32.3173.167.6-7.3000112.9S146 T149 L172 Y175S146-N151 WeakPolarHBondContact CA-OD1 3.41Å; S146-N151 WeakPolarHBondContact CB-OD1 3.4Å; S146-N151 PolarHBondContact O-N 3.13Å; S146-N151 VanDerWaalsContact O-N 3.07Å; S146-N151 PolarHBondContact O-OD1 2.94Å; T149-N151 VanDerWaalsContact C-N 3.31Å; T149-N151 PolarHBondContact O-N 2.88Å; N151-L172 HydrophobicContact CB-CD1 4.34Å; N151-Y175 WeakPolarHBondContact ND2-CD1 3.26Å; N151-Y175 VanDerWaalsContact ND2-CE1 3.3Å; N151-Y175 WeakPolarHBondContact ND2-CE1 3.2Å
152G98.4Very high98.3Very high20 Ų2048.8 Ų48.821%0.20626%0.255CS..  trans-68.9150.8172.600000112.6S146S146-G152 PolarHBondContact O-N 3.37Å
153L98.8Very high98.3Very high4 Ų453.6 Ų53.62%0.02128%0.284CS..  trans-107.9144175.6-73.674000109.8L112 F114 F165 K168 L172L112-L153 PolarHBondContact N-O 3.33Å; F114-L153 HydrophobicContact CE2-CB 3.95Å; F114-L153 HydrophobicContact CE2-CD1 4.31Å; F114-L153 HydrophobicContact CE2-CG 4.49Å; F114-L153 HydrophobicContact CZ-CB 3.9Å; F114-L153 HydrophobicContact CZ-CD2 4.28Å; L153-F165 HydrophobicContact CB-CE2 4.44Å; L153-F165 HydrophobicContact CD2-CD2 3.68Å; L153-F165 HydrophobicContact CD2-CE2 3.44Å; L153-F165 VanDerWaalsContact CD2-CE2 3.44Å; L153-F165 HydrophobicContact CD2-CZ 4.11Å; L153-K168 HydrophobicContact CD1-CB 4.26Å; L153-K168 HydrophobicContact CD2-CB 3.85Å; L153-K168 HydrophobicContact CG-CB 4.1Å; L153-L172 HydrophobicContact CD1-CB 4.18Å; L153-L172 HydrophobicContact CD1-CD2 3.78Å
154R98.7Very high98.3Very high90 Ų9059.2 Ų59.234%0.3431%0.31SS..BIsolated β-bridgetrans-109.3168.5-179.4-63.6178.3-62.4173.42.2111.8R109 C110 C156 D157 L158R109-R154 WeakPolarHBondContact O-CD 3.34Å; C110-R154 CarbonylContact O-C 3.59Å; C110-R154 WeakPolarHBondContact O-CA 3.28Å; C110-R154 WeakPolarHBondContact O-CB 3.4Å; R154-C156 PolarHBondContact O-N 3.44Å; R154-D157 PolarHBondContact N-OD2 3.39Å; R154-D157 WeakPolarHBondContact O-CB 3.45Å; R154-D157 PolarHBondContact O-N 3.29Å; R154-L158 PolarHBondContact O-N 3.36Å
155V98.8Very high98.3Very high0 Ų058.5 Ų58.50%031%0.307CS..Hα-helixtrans-54.1-39.5174.3171.60000111.5I106 C110 L112 D157 L158 M159 L201 V205I106-V155 HydrophobicContact CG2-CG2 4.46Å; C110-V155 HydrophobicContact CB-CG2 3.84Å; C110-V155 PolarHBondContact O-N 3.32Å; L112-V155 HydrophobicContact CD2-CG2 3.89Å; L112-V155 HydrophobicContact CG-CG2 4.5Å; V155-D157 VanDerWaalsContact C-N 3.29Å; V155-D157 PolarHBondContact O-N 3.14Å; V155-L158 PolarHBondContact O-N 3.01Å; V155-L158 VanDerWaalsContact O-N 3.15Å; V155-M159 HydrophobicContact CG1-CG 4.12Å; V155-M159 WeakPolarHBondContact O-CG 3.16Å; V155-M159 PolarHBondContact O-N 2.85Å; V155-L201 HydrophobicContact CG1-CD2 3.9Å; V155-L201 HydrophobicContact CG2-CD2 4.46Å; V155-V205 HydrophobicContact CG1-CB 4.36Å; V155-V205 HydrophobicContact CG1-CG1 3.72Å; V155-V205 HydrophobicContact CG1-CG2 3.62Å
156C98.6Very high98.3Very high40 Ų4056.5 Ų56.527%0.2729%0.292SS..Hα-helixtrans-61.8-34.6176.966.20000113D108 R154 G160D108-C156 HydrophobicContact CB-CB 4.18Å; D108-C156 VanDerWaalsContact O-CB 3.27Å; D108-C156 WeakPolarHBondContact O-CB 3.32Å; D108-C156 PolarHBondContact O-N 2.69Å; R154-C156 PolarHBondContact O-N 3.44Å; C156-G160 PolarHBondContact O-N 3.03Å
157D98.6Very high98.3Very high26 Ų2658.9 Ų58.914%0.13931%0.313CS..Hα-helixtrans-66.5-43.2175.6-60.7-70.4000110R154 V155 G160 F165 K168R154-D157 PolarHBondContact N-OD2 3.39Å; R154-D157 WeakPolarHBondContact O-CB 3.45Å; R154-D157 PolarHBondContact O-N 3.29Å; V155-D157 VanDerWaalsContact C-N 3.29Å; V155-D157 PolarHBondContact O-N 3.14Å; D157-G160 PolarHBondContact O-N 3.19Å; D157-F165 HydrophobicContact CB-CD2 4.01Å; D157-K168 IonicContact OD1-NZ 2.68Å; D157-K168 PolarHBondContact OD1-NZ 2.79Å
158L98.6Very high98.3Very high0 Ų059.2 Ų59.20%031%0.314CS..Hα-helixtrans-66.2-38.3177.9-178.967.8000112.7L82 L112 R154 V155 G160 W162 F165 L194 R198 L201L82-L158 HydrophobicContact CD1-CD2 3.52Å; L112-L158 HydrophobicContact CD1-CB 3.86Å; L112-L158 HydrophobicContact CD1-CD2 4.09Å; R154-L158 PolarHBondContact O-N 3.36Å; V155-L158 PolarHBondContact O-N 3.01Å; V155-L158 VanDerWaalsContact O-N 3.15Å; L158-G160 VanDerWaalsContact C-N 3.33Å; L158-W162 HydrophobicContact CD1-CZ3 3.95Å; L158-F165 VanDerWaalsContact CA-CD2 3.5Å; L158-F165 HydrophobicContact CB-CD2 4.11Å; L158-F165 HydrophobicContact CB-CE2 3.8Å; L158-F165 HydrophobicContact CB-CZ 4.33Å; L158-F165 HydrophobicContact CD1-CD1 4.16Å; L158-F165 HydrophobicContact CD1-CD2 4.32Å; L158-F165 HydrophobicContact CD1-CE1 3.67Å; L158-F165 HydrophobicContact CD1-CE2 3.84Å; L158-F165 HydrophobicContact CD1-CG 4.46Å; L158-F165 HydrophobicContact CD1-CZ 3.5Å; L158-F165 HydrophobicContact CG-CE2 4.43Å; L158-F165 HydrophobicContact CG-CZ 4.49Å; L158-L194 HydrophobicContact CD1-CB 4.19Å; L158-R198 HydrophobicContact CD1-CB 4.28Å; L158-R198 HydrophobicContact CG-CB 4.19Å; L158-R198 WeakPolarHBondContact O-CD 3.21Å; L158-R198 PolarHBondContact O-NE 3.33Å; L158-L201 HydrophobicContact CD2-CD2 4.3Å
159M98.4Very high98.3Very high44 Ų4453.8 Ų53.822%0.21728%0.281CS..Hα-helixtrans-75.6-23.2178.1-66.5-53.294.600113.1V155 R198 L201 V205V155-M159 HydrophobicContact CG1-CG 4.12Å; V155-M159 WeakPolarHBondContact O-CG 3.16Å; V155-M159 PolarHBondContact O-N 2.85Å; M159-R198 HydrophobicContact CE-CB 4Å; M159-R198 HydrophobicContact CE-CG 3.71Å; M159-R198 PolarHBondContact O-NH2 3.17Å; M159-R198 HydrophobicContact SD-CG 4.48Å; M159-L201 HydrophobicContact CE-CB 4.32Å; M159-L201 HydrophobicContact CE-CD2 3.83Å; M159-L201 HydrophobicContact CE-CG 4.47Å; M159-V205 HydrophobicContact CG-CB 4.41Å; M159-V205 HydrophobicContact CG-CG1 4.22Å; M159-V205 HydrophobicContact CG-CG2 3.97Å; M159-V205 HydrophobicContact SD-CG2 3.99Å
160G97.4Very high98.4Very high33 Ų3354.9 Ų54.934%0.3428%0.281SS..SBendtrans-78.5-147.3-17700000114.2C156 D157 L158 W162 R198C156-G160 PolarHBondContact O-N 3.03Å; D157-G160 PolarHBondContact O-N 3.19Å; L158-G160 VanDerWaalsContact C-N 3.33Å; G160-W162 PolarHBondContact O-N 3.42Å; G160-R198 PolarHBondContact O-NH1 2.92Å; G160-R198 PolarHBondContact O-NH2 3.16Å
161D98.1Very high98.4Very high85 Ų8548.3 Ų48.346%0.45526%0.26SS..  trans-63.7122.3179.5-176.3-67.6000111.1V163 Q164 F165D161-V163 PolarHBondContact O-N 3.44Å; D161-V163 WeakPolarHBondContact OD1-CA 3.41Å; D161-V163 WeakPolarHBondContact OD1-CB 3.45Å; D161-V163 PolarHBondContact OD1-N 2.95Å; D161-Q164 HydrophobicContact CB-CB 4.07Å; D161-Q164 HydrophobicContact CB-CG 3.92Å; D161-Q164 PolarHBondContact O-N 3.17Å; D161-Q164 PolarHBondContact OD1-N 2.83Å; D161-F165 WeakPolarHBondContact O-CB 3.41Å; D161-F165 PolarHBondContact O-N 2.76Å
162W98Very high98.4Very high48 Ų4846.8 Ų46.818%0.18225%0.251CS..Hα-helixtrans-66.9-34.8-175.8-175.9-108.1000113.3L158 G160 F165 T166 L191 L194 R195L158-W162 HydrophobicContact CD1-CZ3 3.95Å; G160-W162 PolarHBondContact O-N 3.42Å; W162-F165 AromaticContact CE3-CD1 3.98Å; W162-F165 HydrophobicContact CE3-CD1 3.98Å; W162-F165 HydrophobicContact CH2-CD1 4.2Å; W162-F165 HydrophobicContact CH2-CE1 4.28Å; W162-F165 AromaticContact CZ3-CD1 3.7Å; W162-F165 HydrophobicContact CZ3-CD1 3.7Å; W162-F165 HydrophobicContact CZ3-CE1 4.02Å; W162-T166 WeakPolarHBondContact O-CB 3.23Å; W162-T166 PolarHBondContact O-N 3.48Å; W162-T166 PolarHBondContact O-OG1 2.92Å; W162-L191 WeakPolarHBondContact CH2-O 3.33Å; W162-L191 HydrophobicContact CZ2-CB 4.44Å; W162-L191 HydrophobicContact CZ2-CD2 4.45Å; W162-L194 HydrophobicContact CH2-CB 4.41Å; W162-R195 HydrophobicContact CH2-CB 3.71Å; W162-R195 HydrophobicContact CZ2-CB 3.95Å; W162-R195 HydrophobicContact CZ3-CB 4.41Å
163V98.4Very high98.4Very high111 Ų11146 Ų4667%0.67324%0.243SC*.Hα-helixtrans-68.2-43.9179.7179.90000109.2D161 T166 A167D161-V163 PolarHBondContact O-N 3.44Å; D161-V163 WeakPolarHBondContact OD1-CA 3.41Å; D161-V163 WeakPolarHBondContact OD1-CB 3.45Å; D161-V163 PolarHBondContact OD1-N 2.95Å; V163-T166 PolarHBondContact O-N 3.39Å; V163-A167 PolarHBondContact O-N 2.82Å
164Q98.4Very high98.3Very high119 Ų11951 Ų5156%0.55626%0.264SS*.Hα-helixtrans-64.4-43.8175.4-64.5-175.919.900112.2D161 T166 A167 K168D161-Q164 HydrophobicContact CB-CB 4.07Å; D161-Q164 HydrophobicContact CB-CG 3.92Å; D161-Q164 PolarHBondContact O-N 3.17Å; D161-Q164 PolarHBondContact OD1-N 2.83Å; Q164-T166 VanDerWaalsContact C-N 3.34Å; Q164-T166 PolarHBondContact O-N 3.27Å; Q164-A167 PolarHBondContact O-N 2.9Å; Q164-K168 WeakPolarHBondContact O-CG 3.24Å; Q164-K168 PolarHBondContact O-N 2.81Å
165F98.6Very high98.2Very high2 Ų251.8 Ų51.81%0.00927%0.268CS..Hα-helixtrans-57.1-49.3175.1176.8-99000111.4L112 F114 L153 D157 L158 D161 W162 A167 K168 Y169 L191 L194L112-F165 HydrophobicContact CD1-CE2 4.31Å; F114-F165 HydrophobicContact CE1-CZ 4.34Å; F114-F165 HydrophobicContact CZ-CE2 4.48Å; F114-F165 HydrophobicContact CZ-CZ 4.3Å; L153-F165 HydrophobicContact CB-CE2 4.44Å; L153-F165 HydrophobicContact CD2-CD2 3.68Å; L153-F165 HydrophobicContact CD2-CE2 3.44Å; L153-F165 VanDerWaalsContact CD2-CE2 3.44Å; L153-F165 HydrophobicContact CD2-CZ 4.11Å; D157-F165 HydrophobicContact CB-CD2 4.01Å; L158-F165 VanDerWaalsContact CA-CD2 3.5Å; L158-F165 HydrophobicContact CB-CD2 4.11Å; L158-F165 HydrophobicContact CB-CE2 3.8Å; L158-F165 HydrophobicContact CB-CZ 4.33Å; L158-F165 HydrophobicContact CD1-CD1 4.16Å; L158-F165 HydrophobicContact CD1-CD2 4.32Å; L158-F165 HydrophobicContact CD1-CE1 3.67Å; L158-F165 HydrophobicContact CD1-CE2 3.84Å; L158-F165 HydrophobicContact CD1-CG 4.46Å; L158-F165 HydrophobicContact CD1-CZ 3.5Å; L158-F165 HydrophobicContact CG-CE2 4.43Å; L158-F165 HydrophobicContact CG-CZ 4.49Å; D161-F165 WeakPolarHBondContact O-CB 3.41Å; D161-F165 PolarHBondContact O-N 2.76Å; W162-F165 AromaticContact CE3-CD1 3.98Å; W162-F165 HydrophobicContact CE3-CD1 3.98Å; W162-F165 HydrophobicContact CH2-CD1 4.2Å; W162-F165 HydrophobicContact CH2-CE1 4.28Å; W162-F165 AromaticContact CZ3-CD1 3.7Å; W162-F165 HydrophobicContact CZ3-CD1 3.7Å; W162-F165 HydrophobicContact CZ3-CE1 4.02Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.29Å; F165-K168 PolarHBondContact O-N 2.82Å; F165-Y169 WeakPolarHBondContact O-CB 3.49Å; F165-Y169 PolarHBondContact O-N 2.8Å; F165-L191 HydrophobicContact CD1-CD2 4.4Å; F165-L191 HydrophobicContact CE1-CD2 4.11Å; F165-L194 HydrophobicContact CE1-CB 4.45Å; F165-L194 HydrophobicContact CE1-CD1 4Å; F165-L194 HydrophobicContact CZ-CD1 3.96Å
166T98.4Very high98Very high23 Ų2352.2 Ų52.214%0.14127%0.271CS..Hα-helixtrans-59.1-43.8179.9-61.80000111.5W162 V163 Q164 Y169 K170 L191W162-T166 WeakPolarHBondContact O-CB 3.23Å; W162-T166 PolarHBondContact O-N 3.48Å; W162-T166 PolarHBondContact O-OG1 2.92Å; V163-T166 PolarHBondContact O-N 3.39Å; Q164-T166 VanDerWaalsContact C-N 3.34Å; Q164-T166 PolarHBondContact O-N 3.27Å; T166-Y169 PolarHBondContact O-N 2.88Å; T166-K170 HydrophobicContact CG2-CD 4.06Å; T166-K170 WeakPolarHBondContact O-CB 3.28Å; T166-K170 WeakPolarHBondContact O-CG 3.4Å; T166-K170 PolarHBondContact O-N 3.14Å; T166-L191 HydrophobicContact CG2-CD1 3.73Å; T166-L191 HydrophobicContact CG2-CD2 4.3Å
167A98.5Very high97.9Very high60 Ų6054.3 Ų54.350%0.49628%0.275SS..Hα-helixtrans-62.4-46.6177.200000112.1V163 Q164 F165 Y169 K170 E171V163-A167 PolarHBondContact O-N 2.82Å; Q164-A167 PolarHBondContact O-N 2.9Å; F165-A167 VanDerWaalsContact C-N 3.33Å; F165-A167 PolarHBondContact O-N 3.29Å; A167-Y169 PolarHBondContact O-N 2.85Å; A167-K170 PolarHBondContact O-N 2.78Å; A167-E171 PolarHBondContact O-N 3.29Å
168K98.5Very high97.8Very high94 Ų9460.8 Ų60.841%0.40930%0.298SS..Hα-helixtrans-61.4-43.2176.8-70.4178.2-174.4-176.10111.9L153 D157 Q164 F165 E171 L172L153-K168 HydrophobicContact CD1-CB 4.26Å; L153-K168 HydrophobicContact CD2-CB 3.85Å; L153-K168 HydrophobicContact CG-CB 4.1Å; D157-K168 IonicContact OD1-NZ 2.68Å; D157-K168 PolarHBondContact OD1-NZ 2.79Å; Q164-K168 WeakPolarHBondContact O-CG 3.24Å; Q164-K168 PolarHBondContact O-N 2.81Å; F165-K168 PolarHBondContact O-N 2.82Å; K168-E171 PolarHBondContact O-N 3.18Å; K168-L172 PolarHBondContact O-N 3.2Å
169Y98.6Very high97.6Very high1 Ų169.7 Ų69.70%0.00433%0.331CS..Hα-helixtrans-64.3-44.8179.1-177.8-105.9000111.5F114 F165 T166 A167 E171 L172 V173 I185 V187 S190 L191 L194F114-Y169 HydrophobicContact CB-CE2 4.23Å; F114-Y169 HydrophobicContact CD1-CD2 4.36Å; F114-Y169 AromaticContact CD1-CE2 3.81Å; F114-Y169 HydrophobicContact CD1-CE2 3.81Å; F114-Y169 HydrophobicContact CD2-CD2 4.23Å; F114-Y169 AromaticContact CD2-CE2 3.95Å; F114-Y169 HydrophobicContact CD2-CE2 3.95Å; F114-Y169 HydrophobicContact CE1-CD2 4.18Å; F114-Y169 HydrophobicContact CE1-CE2 4.08Å; F114-Y169 HydrophobicContact CE2-CD2 4.05Å; F114-Y169 HydrophobicContact CE2-CE2 4.21Å; F114-Y169 HydrophobicContact CG-CD2 4.38Å; F114-Y169 AromaticContact CG-CE2 3.74Å; F114-Y169 HydrophobicContact CG-CE2 3.74Å; F114-Y169 HydrophobicContact CZ-CD2 4.02Å; F114-Y169 HydrophobicContact CZ-CE2 4.28Å; F165-Y169 WeakPolarHBondContact O-CB 3.49Å; F165-Y169 PolarHBondContact O-N 2.8Å; T166-Y169 PolarHBondContact O-N 2.88Å; A167-Y169 PolarHBondContact O-N 2.85Å; Y169-E171 VanDerWaalsContact C-N 3.32Å; Y169-E171 PolarHBondContact O-N 3.38Å; Y169-L172 PolarHBondContact O-N 3.34Å; Y169-V173 HydrophobicContact CD1-CG2 4.33Å; Y169-V173 HydrophobicContact CE1-CG2 3.95Å; Y169-V173 HydrophobicContact CE2-CG2 4.42Å; Y169-V173 WeakPolarHBondContact O-CG2 3.19Å; Y169-V173 PolarHBondContact O-N 2.83Å; Y169-I185 WeakPolarHBondContact OH-CD1 3.28Å; Y169-V187 HydrophobicContact CD1-CG1 4.28Å; Y169-V187 HydrophobicContact CE1-CG1 4.15Å; Y169-S190 VanDerWaalsContact OH-CB 3.25Å; Y169-S190 WeakPolarHBondContact OH-CB 3.39Å; Y169-L191 HydrophobicContact CD1-CD1 4.5Å; Y169-L191 HydrophobicContact CD1-CD2 3.68Å; Y169-L191 HydrophobicContact CD1-CG 3.93Å; Y169-L191 HydrophobicContact CE1-CD2 4.34Å; Y169-L191 HydrophobicContact CE1-CG 4.22Å; Y169-L191 HydrophobicContact CG-CD2 4.22Å; Y169-L194 HydrophobicContact CD2-CD1 4.49Å; Y169-L194 HydrophobicContact CE2-CD1 4.27Å
170K98.2Very high97.4Very high86 Ų8668.8 Ų68.837%0.37433%0.326SS..Hα-helixtrans-60.3-40.4175.4-75.3-179.2176.4-170.40112T166 A167 V173 K174 V187 E188T166-K170 HydrophobicContact CG2-CD 4.06Å; T166-K170 WeakPolarHBondContact O-CB 3.28Å; T166-K170 WeakPolarHBondContact O-CG 3.4Å; T166-K170 PolarHBondContact O-N 3.14Å; A167-K170 PolarHBondContact O-N 2.78Å; K170-V173 PolarHBondContact O-N 2.88Å; K170-K174 WeakPolarHBondContact O-CB 3.26Å; K170-K174 PolarHBondContact O-N 2.99Å; K170-V187 HydrophobicContact CG-CG1 3.89Å; K170-E188 WeakPolarHBondContact CE-OE1 3.3Å; K170-E188 IonicContact NZ-OE1 2.75Å; K170-E188 PolarHBondContact NZ-OE1 3.04Å
171E98Very high97.2Very high93 Ų9372.6 Ų72.644%0.43534%0.344SS..Hα-helixtrans-68.6-39.4176.2-171.957.4-153.300112.2A167 K168 Y169 V173 K174 Y175A167-E171 PolarHBondContact O-N 3.29Å; K168-E171 PolarHBondContact O-N 3.18Å; Y169-E171 VanDerWaalsContact C-N 3.32Å; Y169-E171 PolarHBondContact O-N 3.38Å; E171-V173 PolarHBondContact O-N 3.5Å; E171-K174 PolarHBondContact O-N 3.04Å; E171-Y175 WeakPolarHBondContact O-CB 3.28Å; E171-Y175 PolarHBondContact O-N 3.26Å
172L98.2Very high96.9Very high3 Ų377.8 Ų77.82%0.01636%0.363CS..Hα-helixtrans-59.3-47.1172.7175.160.8000111.3F114 I116 N151 L153 K168 Y169 K174 Y175 V176F114-L172 HydrophobicContact CD2-CD2 3.91Å; F114-L172 HydrophobicContact CE2-CD2 3.94Å; I116-L172 HydrophobicContact CD1-CD2 3.81Å; I116-L172 HydrophobicContact CD1-CG 3.71Å; N151-L172 HydrophobicContact CB-CD1 4.34Å; L153-L172 HydrophobicContact CD1-CB 4.18Å; L153-L172 HydrophobicContact CD1-CD2 3.78Å; K168-L172 PolarHBondContact O-N 3.2Å; Y169-L172 PolarHBondContact O-N 3.34Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.46Å; L172-Y175 WeakPolarHBondContact O-CB 3.47Å; L172-Y175 PolarHBondContact O-N 2.95Å; L172-V176 HydrophobicContact CD1-CG2 4.22Å; L172-V176 WeakPolarHBondContact O-CG2 3.32Å; L172-V176 PolarHBondContact O-N 2.94Å
173V97.8Very high96.7Very high4 Ų475.8 Ų75.82%0.02436%0.356CS..Hα-helixtrans-59.5-44.3176.4172.80000111I116 Y169 K170 E171 V176 K177 I185 V187I116-V173 HydrophobicContact CD1-CG2 4.09Å; I116-V173 HydrophobicContact CG2-CG2 4.16Å; Y169-V173 HydrophobicContact CD1-CG2 4.33Å; Y169-V173 HydrophobicContact CE1-CG2 3.95Å; Y169-V173 HydrophobicContact CE2-CG2 4.42Å; Y169-V173 WeakPolarHBondContact O-CG2 3.19Å; Y169-V173 PolarHBondContact O-N 2.83Å; K170-V173 PolarHBondContact O-N 2.88Å; E171-V173 PolarHBondContact O-N 3.5Å; V173-V176 PolarHBondContact O-N 3.04Å; V173-K177 HydrophobicContact CG1-CD 4.19Å; V173-K177 HydrophobicContact CG1-CG 4.39Å; V173-K177 WeakPolarHBondContact O-CB 3.47Å; V173-K177 WeakPolarHBondContact O-CG 3.45Å; V173-K177 PolarHBondContact O-N 2.91Å; V173-I185 HydrophobicContact CG1-CG2 3.75Å; V173-V187 HydrophobicContact CB-CG2 4.46Å; V173-V187 HydrophobicContact CG1-CG2 3.88Å; V173-V187 HydrophobicContact CG2-CG2 4.33Å
174K96.8Very high96.2Very high109 Ų10973.9 Ų73.947%0.47436%0.359SS..Hα-helixtrans-62.3-43.9177.4-176.1-175.9179.4-174.80111.9K170 E171 L172 V176 K177 R178K170-K174 WeakPolarHBondContact O-CB 3.26Å; K170-K174 PolarHBondContact O-N 2.99Å; E171-K174 PolarHBondContact O-N 3.04Å; L172-K174 VanDerWaalsContact C-N 3.33Å; L172-K174 PolarHBondContact O-N 3.46Å; K174-V176 VanDerWaalsContact C-N 3.35Å; K174-K177 PolarHBondContact O-N 2.93Å; K174-R178 PolarHBondContact O-N 3.37Å
175Y96.9Very high95.9Very high107 Ų10769.7 Ų69.742%0.4234%0.34SS..Hα-helixtrans-57.3-48.8175.7177.2-88.1000111T149 N151 E171 L172 R178T149-Y175 HydrophobicContact CG2-CE1 4.41Å; N151-Y175 WeakPolarHBondContact ND2-CD1 3.26Å; N151-Y175 VanDerWaalsContact ND2-CE1 3.3Å; N151-Y175 WeakPolarHBondContact ND2-CE1 3.2Å; E171-Y175 WeakPolarHBondContact O-CB 3.28Å; E171-Y175 PolarHBondContact O-N 3.26Å; L172-Y175 WeakPolarHBondContact O-CB 3.47Å; L172-Y175 PolarHBondContact O-N 2.95Å; Y175-R178 PolarHBondContact O-N 3.43Å
176V96.1Very high95.8Very high9 Ų973.8 Ų73.86%0.05536%0.361CS..Hα-helixtrans-63.7-45.5178.7174.40000111.3I116 I120 L172 V173 K174 R178 R179 Y180 L183I116-V176 HydrophobicContact CD1-CG2 4.36Å; I120-V176 HydrophobicContact CD1-CB 4.2Å; I120-V176 HydrophobicContact CD1-CG1 3.3Å; I120-V176 HydrophobicContact CD1-CG2 3.75Å; I120-V176 HydrophobicContact CG1-CG1 3.62Å; L172-V176 HydrophobicContact CD1-CG2 4.22Å; L172-V176 WeakPolarHBondContact O-CG2 3.32Å; L172-V176 PolarHBondContact O-N 2.94Å; V173-V176 PolarHBondContact O-N 3.04Å; K174-V176 VanDerWaalsContact C-N 3.35Å; V176-R178 PolarHBondContact O-N 3.5Å; V176-R179 PolarHBondContact O-N 3.38Å; V176-Y180 HydrophobicContact CG1-CD2 3.85Å; V176-Y180 PolarHBondContact O-N 2.95Å; V176-L183 HydrophobicContact CB-CD2 4.38Å; V176-L183 HydrophobicContact CG1-CD2 3.63Å
177K96.1Very high95.7Very high84 Ų8474 Ų7437%0.36536%0.363SS..Hα-helixtrans-60.3-27.6-179.1-79.7-172.6175.8-175.10113.8V173 K174 R179 Y180 P181 L183V173-K177 HydrophobicContact CG1-CD 4.19Å; V173-K177 HydrophobicContact CG1-CG 4.39Å; V173-K177 WeakPolarHBondContact O-CB 3.47Å; V173-K177 WeakPolarHBondContact O-CG 3.45Å; V173-K177 PolarHBondContact O-N 2.91Å; K174-K177 PolarHBondContact O-N 2.93Å; K177-R179 VanDerWaalsContact C-N 3.28Å; K177-R179 PolarHBondContact O-N 3.03Å; K177-Y180 CarbonylContact O-C 3.48Å; K177-P181 WeakPolarHBondContact O-CA 3.24Å; K177-L183 HydrophobicContact CG-CB 4.4Å; K177-L183 HydrophobicContact CG-CD2 4.07Å
178R95.9Very high95.7Very high162 Ų16276.5 Ų76.561%0.61136%0.364SS*.Hα-helixtrans-62.8-35.9172.7-71.1174.2178.9153.1-0.9112.2K174 Y175 V176K174-R178 PolarHBondContact O-N 3.37Å; Y175-R178 PolarHBondContact O-N 3.43Å; V176-R178 PolarHBondContact O-N 3.5Å
179R93.5Very high95.6Very high186 Ų18678.1 Ų78.170%0.70237%0.373SS*.Hα-helixtrans-88.5-32.4179.7-170175.6-178.894.70.3112.4V176 K177 P181V176-R179 PolarHBondContact O-N 3.38Å; K177-R179 VanDerWaalsContact C-N 3.28Å; K177-R179 PolarHBondContact O-N 3.03Å; R179-P181 WeakPolarHBondContact O-CD 3.31Å
180Y94.6Very high95.5Very high26 Ų2678.6 Ų78.610%0.10238%0.377CS..  trans-124.777.9-179.7-55.6-78.3000110.6I120 M123 E124 V176 K177 K182 L183I120-Y180 HydrophobicContact CG1-CD2 4.01Å; I120-Y180 HydrophobicContact CG1-CE2 4.11Å; I120-Y180 HydrophobicContact CG2-CD2 4.39Å; I120-Y180 HydrophobicContact CG2-CE2 3.7Å; M123-Y180 HydrophobicContact CE-CD1 4.22Å; M123-Y180 HydrophobicContact SD-CD1 4.39Å; E124-Y180 HydrophobicContact CG-CE1 4.3Å; E124-Y180 PolarHBondContact OE1-OH 2.67Å; V176-Y180 HydrophobicContact CG1-CD2 3.85Å; V176-Y180 PolarHBondContact O-N 2.95Å; K177-Y180 CarbonylContact O-C 3.48Å; Y180-K182 PolarHBondContact O-N 2.8Å; Y180-K182 VanDerWaalsContact O-N 3.13Å; Y180-L183 WeakPolarHBondContact O-CB 3.44Å; Y180-L183 PolarHBondContact O-N 3.39Å
181P93.5Very high95.5Very high112 Ų11274.9 Ų74.973%0.72736%0.361SS*.THydrogen-bonded Turntrans-61.6-23.7-176-25.835.5000114.5K177 R179 L183K177-P181 WeakPolarHBondContact O-CA 3.24Å; R179-P181 WeakPolarHBondContact O-CD 3.31Å; P181-L183 VanDerWaalsContact C-N 3.26Å; P181-L183 PolarHBondContact O-N 3.2Å
182K92.3Very high95.5Very high194 Ų19475 Ų7584%0.84336%0.361SS*.THydrogen-bonded Turntrans-78.9-3.6176.9-63.9-176.2179.71800113.8M123 Y180 G184M123-K182 HydrophobicContact CE-CB 4.05Å; Y180-K182 PolarHBondContact O-N 2.8Å; Y180-K182 VanDerWaalsContact O-N 3.13Å; K182-G184 PolarHBondContact O-N 2.78Å
183L92.5Very high95.5Very high7 Ų777.8 Ų77.84%0.03737%0.374CS..  trans-63.6106.7-178.3-17780.4000111.3I116 E119 M123 V176 K177 Y180 P181 I185I116-L183 HydrophobicContact CB-CD2 4.33Å; I116-L183 HydrophobicContact CG2-CD2 3.9Å; E119-L183 HydrophobicContact CB-CD1 3.68Å; E119-L183 HydrophobicContact CG-CD1 3.4Å; E119-L183 VanDerWaalsContact CG-CD1 3.4Å; M123-L183 HydrophobicContact SD-CD1 4.41Å; V176-L183 HydrophobicContact CB-CD2 4.38Å; V176-L183 HydrophobicContact CG1-CD2 3.63Å; K177-L183 HydrophobicContact CG-CB 4.4Å; K177-L183 HydrophobicContact CG-CD2 4.07Å; Y180-L183 WeakPolarHBondContact O-CB 3.44Å; Y180-L183 PolarHBondContact O-N 3.39Å; P181-L183 VanDerWaalsContact C-N 3.26Å; P181-L183 PolarHBondContact O-N 3.2Å; L183-I185 HydrophobicContact CD2-CG2 4.21Å
184G89.3Confident95.5Very high71 Ų7178.2 Ų78.273%0.73238%0.377SS*.  trans-79.9115.3168.900000110.7K182K182-G184 PolarHBondContact O-N 2.78Å
185I92.6Very high95.5Very high31 Ų3177.8 Ų77.816%0.15937%0.372CS..  trans-146.9133.1168.6-176.2165.5000111I116 Y169 V173 L183 V187I116-I185 HydrophobicContact CB-CD1 4.49Å; I116-I185 HydrophobicContact CG2-CB 4.3Å; I116-I185 HydrophobicContact CG2-CD1 3.18Å; I116-I185 HydrophobicContact CG2-CG1 4.3Å; I116-I185 HydrophobicContact CG2-CG2 4.14Å; Y169-I185 WeakPolarHBondContact OH-CD1 3.28Å; V173-I185 HydrophobicContact CG1-CG2 3.75Å; L183-I185 HydrophobicContact CD2-CG2 4.21Å; I185-V187 HydrophobicContact CG2-CG2 4.37Å; I185-V187 PolarHBondContact O-N 3.12Å
186N95.5Very high95.6Very high87 Ų8775.7 Ų75.747%0.46537%0.37SS..  trans-87.896.5168.1-174.7-7.9000109.7E188 E189 S190N186-E188 VanDerWaalsContact C-N 3.31Å; N186-E188 PolarHBondContact O-N 3.24Å; N186-E188 PolarHBondContact OD1-N 3.19Å; N186-E189 HydrophobicContact CB-CB 3.94Å; N186-E189 VanDerWaalsContact CG-CB 3.45Å; N186-E189 WeakPolarHBondContact ND2-CB 3.35Å; N186-E189 PolarHBondContact ND2-OE2 2.84Å; N186-E189 PolarHBondContact O-N 3.36Å; N186-E189 PolarHBondContact OD1-N 2.91Å; N186-S190 PolarHBondContact O-N 3.09Å; N186-S190 PolarHBondContact O-OG 3.48Å
187V96.7Very high95.7Very high27 Ų2776.8 Ų76.816%0.16437%0.373CS..Hα-helixtrans-61-39.4-174.5174.80000112.3Y169 K170 V173 I185 L191Y169-V187 HydrophobicContact CD1-CG1 4.28Å; Y169-V187 HydrophobicContact CE1-CG1 4.15Å; K170-V187 HydrophobicContact CG-CG1 3.89Å; V173-V187 HydrophobicContact CB-CG2 4.46Å; V173-V187 HydrophobicContact CG1-CG2 3.88Å; V173-V187 HydrophobicContact CG2-CG2 4.33Å; I185-V187 HydrophobicContact CG2-CG2 4.37Å; I185-V187 PolarHBondContact O-N 3.12Å; V187-L191 HydrophobicContact CG1-CD1 3.91Å; V187-L191 HydrophobicContact CG1-CG 4.47Å; V187-L191 WeakPolarHBondContact O-CB 3.46Å; V187-L191 VanDerWaalsContact O-CG 3.26Å; V187-L191 WeakPolarHBondContact O-CG 3.49Å; V187-L191 PolarHBondContact O-N 2.87Å
188E97.3Very high95.8Very high113 Ų11375.9 Ų75.953%0.52837%0.368SS..Hα-helixtrans-72.4-38.5-176.2-60.2-56.6147.900111.4K170 N186 L191 E192K170-E188 WeakPolarHBondContact CE-OE1 3.3Å; K170-E188 IonicContact NZ-OE1 2.75Å; K170-E188 PolarHBondContact NZ-OE1 3.04Å; N186-E188 VanDerWaalsContact C-N 3.31Å; N186-E188 PolarHBondContact O-N 3.24Å; N186-E188 PolarHBondContact OD1-N 3.19Å; E188-L191 PolarHBondContact O-N 3.13Å; E188-E192 PolarHBondContact O-N 2.85Å
189E97.3Very high95.8Very high129 Ų12974.8 Ų74.860%0.60337%0.37SS*.Hα-helixtrans-63.7-45.2172.8-179.5179.1-179.800111.9N186 L191 E192 Q193N186-E189 HydrophobicContact CB-CB 3.94Å; N186-E189 VanDerWaalsContact CG-CB 3.45Å; N186-E189 WeakPolarHBondContact ND2-CB 3.35Å; N186-E189 PolarHBondContact ND2-OE2 2.84Å; N186-E189 PolarHBondContact O-N 3.36Å; N186-E189 PolarHBondContact OD1-N 2.91Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.18Å; E189-E192 PolarHBondContact O-N 2.88Å; E189-Q193 PolarHBondContact O-N 2.63Å
190S97.1Very high96Very high11 Ų1171.3 Ų71.38%0.07736%0.36CS..Hα-helixtrans-60.6-39.7175.4-610000112.2Y169 N186 Q193 L194Y169-S190 VanDerWaalsContact OH-CB 3.25Å; Y169-S190 WeakPolarHBondContact OH-CB 3.39Å; N186-S190 PolarHBondContact O-N 3.09Å; N186-S190 PolarHBondContact O-OG 3.48Å; S190-Q193 PolarHBondContact O-N 3Å; S190-L194 WeakPolarHBondContact O-CB 3.36Å; S190-L194 WeakPolarHBondContact O-CD1 3.28Å; S190-L194 WeakPolarHBondContact O-CG 3.48Å; S190-L194 PolarHBondContact O-N 2.87Å
191L98.2Very high96.1Very high7 Ų770.1 Ų70.14%0.03736%0.355CS..Hα-helixtrans-65.6-39.2176.2-75.6167.7000112.2W162 F165 T166 Y169 V187 E188 E189 L194 R195W162-L191 WeakPolarHBondContact CH2-O 3.33Å; W162-L191 HydrophobicContact CZ2-CB 4.44Å; W162-L191 HydrophobicContact CZ2-CD2 4.45Å; F165-L191 HydrophobicContact CD1-CD2 4.4Å; F165-L191 HydrophobicContact CE1-CD2 4.11Å; T166-L191 HydrophobicContact CG2-CD1 3.73Å; T166-L191 HydrophobicContact CG2-CD2 4.3Å; Y169-L191 HydrophobicContact CD1-CD1 4.5Å; Y169-L191 HydrophobicContact CD1-CD2 3.68Å; Y169-L191 HydrophobicContact CD1-CG 3.93Å; Y169-L191 HydrophobicContact CE1-CD2 4.34Å; Y169-L191 HydrophobicContact CE1-CG 4.22Å; Y169-L191 HydrophobicContact CG-CD2 4.22Å; V187-L191 HydrophobicContact CG1-CD1 3.91Å; V187-L191 HydrophobicContact CG1-CG 4.47Å; V187-L191 WeakPolarHBondContact O-CB 3.46Å; V187-L191 VanDerWaalsContact O-CG 3.26Å; V187-L191 WeakPolarHBondContact O-CG 3.49Å; V187-L191 PolarHBondContact O-N 2.87Å; E188-L191 PolarHBondContact O-N 3.13Å; E189-L191 VanDerWaalsContact C-N 3.3Å; E189-L191 PolarHBondContact O-N 3.18Å; L191-L194 PolarHBondContact O-N 3.09Å; L191-R195 PolarHBondContact O-N 3.29Å
192E97.7Very high96.2Very high95 Ų9568.5 Ų68.544%0.44435%0.346SS..Hα-helixtrans-67.6-40.1177.8-170.853.1-143.400111.9E188 E189 L194 R195 T196E188-E192 PolarHBondContact O-N 2.85Å; E189-E192 PolarHBondContact O-N 2.88Å; E192-L194 PolarHBondContact O-N 2.81Å; E192-R195 WeakPolarHBondContact O-CB 3.19Å; E192-R195 PolarHBondContact O-N 2.99Å; E192-R195 IonicContact OE2-CZ 2.75Å; E192-R195 IonicContact OE2-NH1 3.83Å; E192-R195 PolarHBondContact OE2-NH1 2.97Å; E192-T196 PolarHBondContact O-N 2.62Å; E192-T196 VanDerWaalsContact O-N 3.11Å; E192-T196 PolarHBondContact O-OG1 3.23Å
193Q97.7Very high96.4Very high62 Ų6262.2 Ų62.229%0.2934%0.337SS..Hα-helixtrans-61.9-43.7173.1-164.1-170.314.300111.6E189 S190 R195 T196 Y197E189-Q193 PolarHBondContact O-N 2.63Å; S190-Q193 PolarHBondContact O-N 3Å; Q193-R195 VanDerWaalsContact C-N 3.29Å; Q193-R195 PolarHBondContact O-N 3.23Å; Q193-T196 WeakPolarHBondContact O-CB 3.47Å; Q193-T196 PolarHBondContact O-N 3.4Å; Q193-T196 VanDerWaalsContact O-N 3.17Å; Q193-Y197 HydrophobicContact CG-CD2 4.09Å; Q193-Y197 HydrophobicContact CG-CE2 3.52Å; Q193-Y197 PolarHBondContact NE2-OH 3.47Å; Q193-Y197 VanDerWaalsContact NE2-OH 3.13Å; Q193-Y197 WeakPolarHBondContact O-CD2 3.44Å; Q193-Y197 PolarHBondContact O-N 2.95Å
194L98.1Very high96.7Very high14 Ų1462.1 Ų62.17%0.07334%0.336CS..Hα-helixtrans-63.4-34.1176.3-72.9166000112.4L82 F114 L158 W162 F165 Y169 S190 L191 E192 Y197 R198L82-L194 HydrophobicContact CD1-CD2 4.17Å; F114-L194 HydrophobicContact CD1-CD1 4.12Å; F114-L194 HydrophobicContact CD1-CD2 4.17Å; F114-L194 HydrophobicContact CE1-CD1 3.87Å; F114-L194 HydrophobicContact CE1-CD2 3.88Å; L158-L194 HydrophobicContact CD1-CB 4.19Å; W162-L194 HydrophobicContact CH2-CB 4.41Å; F165-L194 HydrophobicContact CE1-CB 4.45Å; F165-L194 HydrophobicContact CE1-CD1 4Å; F165-L194 HydrophobicContact CZ-CD1 3.96Å; Y169-L194 HydrophobicContact CD2-CD1 4.49Å; Y169-L194 HydrophobicContact CE2-CD1 4.27Å; S190-L194 WeakPolarHBondContact O-CB 3.36Å; S190-L194 WeakPolarHBondContact O-CD1 3.28Å; S190-L194 WeakPolarHBondContact O-CG 3.48Å; S190-L194 PolarHBondContact O-N 2.87Å; L191-L194 PolarHBondContact O-N 3.09Å; E192-L194 PolarHBondContact O-N 2.81Å; L194-Y197 PolarHBondContact O-N 2.93Å; L194-R198 WeakPolarHBondContact O-CB 3.45Å; L194-R198 PolarHBondContact O-N 2.9Å
195R97.6Very high97.1Very high100 Ų10060.5 Ų60.538%0.37731%0.312SS..Hα-helixtrans-63.8-41.2173.6-176.9-179.7-82.7153.4-13.5111.5W162 L191 E192 Q193 R198 Q199W162-R195 HydrophobicContact CH2-CB 3.71Å; W162-R195 HydrophobicContact CZ2-CB 3.95Å; W162-R195 HydrophobicContact CZ3-CB 4.41Å; L191-R195 PolarHBondContact O-N 3.29Å; E192-R195 WeakPolarHBondContact O-CB 3.19Å; E192-R195 PolarHBondContact O-N 2.99Å; E192-R195 IonicContact OE2-CZ 2.75Å; E192-R195 IonicContact OE2-NH1 3.83Å; E192-R195 PolarHBondContact OE2-NH1 2.97Å; Q193-R195 VanDerWaalsContact C-N 3.29Å; Q193-R195 PolarHBondContact O-N 3.23Å; R195-R198 WeakPolarHBondContact O-CB 3.49Å; R195-R198 PolarHBondContact O-N 3.45Å; R195-Q199 PolarHBondContact O-N 2.91Å
196T97.7Very high97.4Very high62 Ų6260.4 Ų60.438%0.3831%0.314SS..Hα-helixtrans-63.7-47.6174.6-61.80000111.3E192 Q193 R198 Q199 K200E192-T196 PolarHBondContact O-N 2.62Å; E192-T196 VanDerWaalsContact O-N 3.11Å; E192-T196 PolarHBondContact O-OG1 3.23Å; Q193-T196 WeakPolarHBondContact O-CB 3.47Å; Q193-T196 PolarHBondContact O-N 3.4Å; Q193-T196 VanDerWaalsContact O-N 3.17Å; T196-R198 VanDerWaalsContact C-N 3.29Å; T196-R198 PolarHBondContact O-N 3.36Å; T196-Q199 PolarHBondContact O-N 3.12Å; T196-K200 PolarHBondContact O-N 3.27Å
197Y97.9Very high97.5Very high32 Ų3258.8 Ų58.813%0.12531%0.305CS..Hα-helixtrans-64.2-33.9177.2-68.3-45.9000112.8L82 Q83 F86 Q193 L194 Q199 K200 L201L82-Y197 HydrophobicContact CB-CD1 4.43Å; L82-Y197 HydrophobicContact CB-CD2 3.78Å; L82-Y197 HydrophobicContact CB-CE2 4.31Å; L82-Y197 HydrophobicContact CB-CG 3.86Å; L82-Y197 HydrophobicContact CD1-CD2 4.42Å; L82-Y197 HydrophobicContact CD1-CG 4.39Å; Q83-Y197 WeakPolarHBondContact CA-OH 3.23Å; Q83-Y197 HydrophobicContact CB-CE2 4.12Å; Q83-Y197 VanDerWaalsContact CB-OH 3.28Å; Q83-Y197 WeakPolarHBondContact CB-OH 3.39Å; Q83-Y197 WeakPolarHBondContact CG-OH 3.32Å; F86-Y197 HydrophobicContact CB-CE1 4.44Å; F86-Y197 AromaticContact CD2-CD1 3.28Å; F86-Y197 HydrophobicContact CD2-CD1 3.28Å; F86-Y197 AromaticContact CD2-CE1 3.68Å; F86-Y197 HydrophobicContact CD2-CE1 3.68Å; F86-Y197 HydrophobicContact CD2-CG 4.18Å; F86-Y197 AromaticContact CE2-CD1 3.6Å; F86-Y197 HydrophobicContact CE2-CD1 3.6Å; F86-Y197 HydrophobicContact CE2-CE1 4.44Å; F86-Y197 HydrophobicContact CE2-CG 4.19Å; F86-Y197 HydrophobicContact CG-CD1 4.3Å; F86-Y197 HydrophobicContact CG-CE1 4.4Å; Q193-Y197 HydrophobicContact CG-CD2 4.09Å; Q193-Y197 HydrophobicContact CG-CE2 3.52Å; Q193-Y197 PolarHBondContact NE2-OH 3.47Å; Q193-Y197 VanDerWaalsContact NE2-OH 3.13Å; Q193-Y197 WeakPolarHBondContact O-CD2 3.44Å; Q193-Y197 PolarHBondContact O-N 2.95Å; L194-Y197 PolarHBondContact O-N 2.93Å; Y197-Q199 VanDerWaalsContact C-N 3.28Å; Y197-Q199 PolarHBondContact O-N 3.34Å; Y197-K200 PolarHBondContact O-N 3.16Å; Y197-L201 WeakPolarHBondContact O-CB 3.06Å; Y197-L201 PolarHBondContact O-N 3.33Å
198R97.8Very high97.6Very high66 Ų6657.5 Ų57.525%0.24930%0.298CS..Hα-helixtrans-55-44.5175.6167.2177.7-175.5165.610.6112L158 M159 G160 L194 R195 T196 L201 S202L158-R198 HydrophobicContact CD1-CB 4.28Å; L158-R198 HydrophobicContact CG-CB 4.19Å; L158-R198 WeakPolarHBondContact O-CD 3.21Å; L158-R198 PolarHBondContact O-NE 3.33Å; M159-R198 HydrophobicContact CE-CB 4Å; M159-R198 HydrophobicContact CE-CG 3.71Å; M159-R198 PolarHBondContact O-NH2 3.17Å; M159-R198 HydrophobicContact SD-CG 4.48Å; G160-R198 PolarHBondContact O-NH1 2.92Å; G160-R198 PolarHBondContact O-NH2 3.16Å; L194-R198 WeakPolarHBondContact O-CB 3.45Å; L194-R198 PolarHBondContact O-N 2.9Å; R195-R198 WeakPolarHBondContact O-CB 3.49Å; R195-R198 PolarHBondContact O-N 3.45Å; T196-R198 VanDerWaalsContact C-N 3.29Å; T196-R198 PolarHBondContact O-N 3.36Å; R198-L201 PolarHBondContact O-N 2.96Å; R198-S202 PolarHBondContact O-N 3.07Å
199Q96.8Very high97.6Very high139 Ų13954 Ų5465%0.6528%0.284SS*.Hα-helixtrans-63-51179.3-65.5175.20.100110.9R195 T196 Y197 L201 S202R195-Q199 PolarHBondContact O-N 2.91Å; T196-Q199 PolarHBondContact O-N 3.12Å; Y197-Q199 VanDerWaalsContact C-N 3.28Å; Y197-Q199 PolarHBondContact O-N 3.34Å; Q199-L201 VanDerWaalsContact C-N 3.29Å; Q199-L201 PolarHBondContact O-N 3.27Å; Q199-S202 PolarHBondContact O-N 2.94Å; Q199-S202 PolarHBondContact O-OG 3.32Å
200K96.7Very high97.6Very high113 Ų11353.3 Ų53.349%0.49128%0.283SS..Hα-helixtrans-61.3-35.8178.5-63.9-173.3175.1-169.60112.9F86 T196 Y197 M204F86-K200 HydrophobicContact CD1-CB 4.39Å; F86-K200 HydrophobicContact CD1-CD 4.28Å; F86-K200 HydrophobicContact CE1-CB 3.55Å; F86-K200 HydrophobicContact CE1-CD 4.25Å; F86-K200 HydrophobicContact CE2-CB 4.03Å; F86-K200 HydrophobicContact CZ-CB 3.35Å; F86-K200 HydrophobicContact CZ-CD 4.45Å; T196-K200 PolarHBondContact O-N 3.27Å; Y197-K200 PolarHBondContact O-N 3.16Å; K200-M204 WeakPolarHBondContact O-CE 3.47Å
201L97.8Very high97.5Very high0 Ų054.8 Ų54.80%029%0.29CS..Hα-helixtrans-74.7-31.7-174.8-168.668.1000112.9L82 L85 F86 I106 V155 L158 M159 Y197 R198 Q199 G203 M204 V205L82-L201 HydrophobicContact CD2-CD1 3.96Å; L82-L201 HydrophobicContact CD2-CD2 3.8Å; L82-L201 HydrophobicContact CD2-CG 4.45Å; L85-L201 HydrophobicContact CD2-CD1 4.27Å; F86-L201 HydrophobicContact CZ-CB 4.24Å; F86-L201 HydrophobicContact CZ-CD1 4.34Å; I106-L201 HydrophobicContact CD1-CD1 3.5Å; V155-L201 HydrophobicContact CG1-CD2 3.9Å; V155-L201 HydrophobicContact CG2-CD2 4.46Å; L158-L201 HydrophobicContact CD2-CD2 4.3Å; M159-L201 HydrophobicContact CE-CB 4.32Å; M159-L201 HydrophobicContact CE-CD2 3.83Å; M159-L201 HydrophobicContact CE-CG 4.47Å; Y197-L201 WeakPolarHBondContact O-CB 3.06Å; Y197-L201 PolarHBondContact O-N 3.33Å; R198-L201 PolarHBondContact O-N 2.96Å; Q199-L201 VanDerWaalsContact C-N 3.29Å; Q199-L201 PolarHBondContact O-N 3.27Å; L201-G203 VanDerWaalsContact C-N 3.29Å; L201-G203 PolarHBondContact O-N 3.5Å; L201-G203 VanDerWaalsContact O-N 3.09Å; L201-M204 HydrophobicContact CD1-CE 4.43Å; L201-M204 PolarHBondContact O-N 3.22Å; L201-V205 HydrophobicContact CD2-CG2 4.03Å; L201-V205 HydrophobicContact CG-CG2 3.68Å; L201-V205 PolarHBondContact O-N 3.48Å
202S95.8Very high97.4Very high78 Ų7854.5 Ų54.555%0.54529%0.288SS..G310 helixtrans-49-41.8-167.962.90000115.1R198 Q199 M204R198-S202 PolarHBondContact O-N 3.07Å; Q199-S202 PolarHBondContact O-N 2.94Å; Q199-S202 PolarHBondContact O-OG 3.32Å; S202-M204 VanDerWaalsContact C-N 3.25Å; S202-M204 PolarHBondContact O-N 2.93Å
203G96.2Very high97.3Very high63 Ų6352 Ų5265%0.64928%0.278SS*.G310 helixtrans-72.4-10.9-179.800000115.4L201L201-G203 VanDerWaalsContact C-N 3.29Å; L201-G203 PolarHBondContact O-N 3.5Å; L201-G203 VanDerWaalsContact O-N 3.09Å
204M98.4Very high97.1Very high5 Ų556.7 Ų56.73%0.02530%0.297CS..G310 helixtrans-106.4-13.3-177.9-65.9175.3-80.900113.1F86 I89 S101 L104 R105 I106 K200 L201 S202F86-M204 HydrophobicContact CE1-CE 3.58Å; F86-M204 HydrophobicContact CZ-CE 3.86Å; I89-M204 HydrophobicContact CD1-SD 4.26Å; S101-M204 WeakPolarHBondContact O-CG 3.26Å; L104-M204 HydrophobicContact CB-CG 4.49Å; L104-M204 HydrophobicContact CB-SD 4.23Å; L104-M204 HydrophobicContact CD2-SD 3.81Å; L104-M204 HydrophobicContact CG-SD 4.29Å; R105-M204 CarbonylContact C-O 3.49Å; R105-M204 VanDerWaalsContact CA-O 3.29Å; R105-M204 WeakPolarHBondContact CA-O 3.49Å; I106-M204 HydrophobicContact CD1-CB 4.06Å; I106-M204 HydrophobicContact CD1-SD 4.47Å; I106-M204 HydrophobicContact CG1-CB 4.4Å; I106-M204 PolarHBondContact N-O 3.38Å; K200-M204 WeakPolarHBondContact O-CE 3.47Å; L201-M204 HydrophobicContact CD1-CE 4.43Å; L201-M204 PolarHBondContact O-N 3.22Å; S202-M204 VanDerWaalsContact C-N 3.25Å; S202-M204 PolarHBondContact O-N 2.93Å
205V98.7Very high96.9Very high37 Ų3757.7 Ų57.722%0.22430%0.303CS..EExtended strand (participates in β ladder)trans-78.6137.5-175.2-176.60000111.3I106 D108 V155 M159 L201I106-V205 WeakPolarHBondContact O-CA 3.13Å; D108-V205 HydrophobicContact CB-CG1 3.83Å; V155-V205 HydrophobicContact CG1-CB 4.36Å; V155-V205 HydrophobicContact CG1-CG1 3.72Å; V155-V205 HydrophobicContact CG1-CG2 3.62Å; M159-V205 HydrophobicContact CG-CB 4.41Å; M159-V205 HydrophobicContact CG-CG1 4.22Å; M159-V205 HydrophobicContact CG-CG2 3.97Å; M159-V205 HydrophobicContact SD-CG2 3.99Å; L201-V205 HydrophobicContact CD2-CG2 4.03Å; L201-V205 HydrophobicContact CG-CG2 3.68Å; L201-V205 PolarHBondContact O-N 3.48Å
206C98.3Very high96.5Very high29 Ų2953 Ų5320%0.19629%0.285CS..EExtended strand (participates in β ladder)trans-151.1167.217271.80000112.5I106 D108 S208I106-C206 PolarHBondContact O-N 2.69Å; D108-C206 PolarHBondContact N-O 3Å; C206-S208 PolarHBondContact O-N 2.96Å
207D98.4Very high96.1Very high53 Ų5356.7 Ų56.728%0.28330%0.296SS..  trans-73.793.5161.2-169.3-29.6000109.1R109 V209 I210 L211R109-D207 IonicContact CZ-OD1 3.73Å; R109-D207 IonicContact CZ-OD2 3.49Å; R109-D207 IonicContact NH1-OD1 3Å; R109-D207 PolarHBondContact NH1-OD1 2.78Å; R109-D207 IonicContact NH1-OD2 2.72Å; R109-D207 PolarHBondContact NH1-OD2 2.77Å; R109-D207 VanDerWaalsContact NH1-OD2 3.17Å; R109-D207 IonicContact NH2-OD1 3.52Å; R109-D207 IonicContact NH2-OD2 3.51Å; R109-D207 PolarHBondContact NH2-OD2 2.95Å; D207-V209 PolarHBondContact O-N 3.48Å; D207-V209 WeakPolarHBondContact OD1-CB 3.44Å; D207-V209 PolarHBondContact OD1-N 3.43Å; D207-I210 HydrophobicContact CB-CB 4.29Å; D207-I210 HydrophobicContact CB-CG1 4.21Å; D207-I210 PolarHBondContact O-N 3.35Å; D207-I210 PolarHBondContact OD1-N 3.18Å; D207-L211 PolarHBondContact O-N 3.5Å
208S97.8Very high95.5Very high0 Ų057.3 Ų57.30%031%0.305CS..Hα-helixtrans-63.4-28.5-17866.90000112.8S107 C206 L211 I212S107-S208 WeakPolarHBondContact CB-OG 3.16Å; S107-S208 PolarHBondContact OG-OG 3Å; C206-S208 PolarHBondContact O-N 2.96Å; S208-L211 PolarHBondContact O-N 3.47Å; S208-I212 WeakPolarHBondContact O-CB 3.37Å; S208-I212 VanDerWaalsContact O-CG1 3.3Å; S208-I212 WeakPolarHBondContact O-CG1 3.49Å; S208-I212 PolarHBondContact O-N 2.89Å
209V97.1Very high94.3Very high39 Ų3962.2 Ų62.224%0.23633%0.328CS..Hα-helixtrans-67.4-46.1-179.3179.60000109.3D207 N213D207-V209 PolarHBondContact O-N 3.48Å; D207-V209 WeakPolarHBondContact OD1-CB 3.44Å; D207-V209 PolarHBondContact OD1-N 3.43Å; V209-N213 VanDerWaalsContact O-CB 3.3Å; V209-N213 WeakPolarHBondContact O-CB 3.44Å; V209-N213 PolarHBondContact O-N 3.34Å; V209-N213 VanDerWaalsContact O-N 3.08Å; V209-N213 PolarHBondContact O-ND2 2.83Å
210I97.2Very high93.1Very high114 Ų11464.2 Ų64.259%0.58534%0.337SS*.Hα-helixtrans-64.9-44.6175.5-62-60.7000110.9D207 K214D207-I210 HydrophobicContact CB-CB 4.29Å; D207-I210 HydrophobicContact CB-CG1 4.21Å; D207-I210 PolarHBondContact O-N 3.35Å; D207-I210 PolarHBondContact OD1-N 3.18Å; I210-K214 VanDerWaalsContact O-CB 3.29Å; I210-K214 WeakPolarHBondContact O-CB 3.45Å; I210-K214 PolarHBondContact O-N 2.93Å
211L96.6Very high92.3Very high42 Ų4259 Ų5922%0.2232%0.315CS..Hα-helixtrans-57.8-55.4179.5176.860.7000111.8L71 V73 R105 D207 S208 K214 L215L71-L211 HydrophobicContact CD2-CD2 4.45Å; V73-L211 HydrophobicContact CG2-CD2 4.28Å; R105-L211 HydrophobicContact CB-CD2 4.02Å; R105-L211 HydrophobicContact CG-CD2 4.01Å; D207-L211 PolarHBondContact O-N 3.5Å; S208-L211 PolarHBondContact O-N 3.47Å; L211-K214 PolarHBondContact O-N 2.8Å; L211-L215 HydrophobicContact CD1-CD1 3.7Å; L211-L215 HydrophobicContact CD1-CG 4.25Å; L211-L215 HydrophobicContact CG-CD1 3.78Å; L211-L215 WeakPolarHBondContact O-CD1 3.29Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.14Å; L211-L215 PolarHBondContact O-N 2.91Å
212I95.3Very high92Very high1 Ų162.1 Ų62.11%0.00533%0.332CS..Hα-helixtrans-63.7-46-177.8-67.2-61.9000110.8V35 C37 V73 S208 K214 L215 V216 I223 L259V35-I212 HydrophobicContact CG1-CD1 4.31Å; C37-I212 VanDerWaalsContact SG-CD1 3.54Å; V73-I212 HydrophobicContact CB-CD1 4.38Å; V73-I212 HydrophobicContact CG1-CD1 4.22Å; V73-I212 HydrophobicContact CG1-CG1 4.42Å; V73-I212 HydrophobicContact CG2-CD1 4.14Å; S208-I212 WeakPolarHBondContact O-CB 3.37Å; S208-I212 VanDerWaalsContact O-CG1 3.3Å; S208-I212 WeakPolarHBondContact O-CG1 3.49Å; S208-I212 PolarHBondContact O-N 2.89Å; I212-K214 PolarHBondContact O-N 3.02Å; I212-L215 HydrophobicContact CD1-CD1 4.44Å; I212-L215 PolarHBondContact O-N 3.13Å; I212-L215 VanDerWaalsContact O-N 3.1Å; I212-V216 HydrophobicContact CG2-CG2 4.15Å; I212-V216 VanDerWaalsContact O-CG2 3.29Å; I212-V216 WeakPolarHBondContact O-CG2 3.15Å; I212-V216 PolarHBondContact O-N 2.72Å; I212-I223 HydrophobicContact CD1-CD1 4.46Å; I212-I223 HydrophobicContact CG2-CD1 4.41Å; I212-L259 HydrophobicContact CG2-CD1 4.11Å
213N94.5Very high92.1Very high43 Ų4358.4 Ų58.423%0.2331%0.306CS..Hα-helixtrans-67.8-22.6-179.8-77.9-81.6000113.4V209 K217 G258V209-N213 VanDerWaalsContact O-CB 3.3Å; V209-N213 WeakPolarHBondContact O-CB 3.44Å; V209-N213 PolarHBondContact O-N 3.34Å; V209-N213 VanDerWaalsContact O-N 3.08Å; V209-N213 PolarHBondContact O-ND2 2.83Å; N213-K217 WeakPolarHBondContact O-CD 3.49Å; N213-K217 WeakPolarHBondContact O-CG 3.42Å; N213-G258 PolarHBondContact ND2-O 2.96Å
214K93.9Very high92.1Very high160 Ų16055.5 Ų55.570%0.69628%0.275SS*.Hα-helixtrans-73.7-45.9168.7-176.6179.8178.5-178.30111.2I210 L211 I212 K217I210-K214 VanDerWaalsContact O-CB 3.29Å; I210-K214 WeakPolarHBondContact O-CB 3.45Å; I210-K214 PolarHBondContact O-N 2.93Å; L211-K214 PolarHBondContact O-N 2.8Å; I212-K214 PolarHBondContact O-N 3.02Å; K214-K217 PolarHBondContact O-N 3.4Å
215L93.5Very high92.1Very high36 Ų3655.2 Ų55.219%0.18827%0.274CS..Hα-helixtrans-62.7-46.5-178.3-71.2162.2000111.8V35 L71 L211 I212 K217 S218 A221 I223V35-L215 HydrophobicContact CG1-CD1 4.47Å; V35-L215 HydrophobicContact CG2-CD1 3.91Å; V35-L215 HydrophobicContact CG2-CD2 4.38Å; L71-L215 HydrophobicContact CD2-CD1 4.32Å; L211-L215 HydrophobicContact CD1-CD1 3.7Å; L211-L215 HydrophobicContact CD1-CG 4.25Å; L211-L215 HydrophobicContact CG-CD1 3.78Å; L211-L215 WeakPolarHBondContact O-CD1 3.29Å; L211-L215 VanDerWaalsContact O-CG 3.29Å; L211-L215 WeakPolarHBondContact O-CG 3.14Å; L211-L215 PolarHBondContact O-N 2.91Å; I212-L215 HydrophobicContact CD1-CD1 4.44Å; I212-L215 PolarHBondContact O-N 3.13Å; I212-L215 VanDerWaalsContact O-N 3.1Å; L215-K217 PolarHBondContact O-N 3.46Å; L215-K217 VanDerWaalsContact O-N 3.14Å; L215-S218 WeakPolarHBondContact O-CB 3.3Å; L215-S218 PolarHBondContact O-N 2.87Å; L215-S218 PolarHBondContact O-OG 3.29Å; L215-A221 HydrophobicContact CB-CB 4.12Å; L215-A221 HydrophobicContact CD2-CB 4.23Å; L215-A221 WeakPolarHBondContact O-CB 3.42Å; L215-I223 HydrophobicContact CB-CD1 3.88Å
216V90.9Very high92.1Very high2 Ų253.5 Ų53.51%0.01226%0.264CS..THydrogen-bonded Turntrans-58.3-29.4179.1174.50000112.9G7 V9 I212 S218 I223 L259 R263G7-V216 WeakPolarHBondContact CA-O 3.45Å; G7-V216 PolarHBondContact N-O 3.42Å; V9-V216 HydrophobicContact CG2-CG1 4.25Å; V9-V216 HydrophobicContact CG2-CG2 3.67Å; I212-V216 HydrophobicContact CG2-CG2 4.15Å; I212-V216 VanDerWaalsContact O-CG2 3.29Å; I212-V216 WeakPolarHBondContact O-CG2 3.15Å; I212-V216 PolarHBondContact O-N 2.72Å; V216-S218 VanDerWaalsContact C-N 3.32Å; V216-I223 HydrophobicContact CG2-CD1 3.45Å; V216-I223 VanDerWaalsContact CG2-CD1 3.45Å; V216-L259 HydrophobicContact CG2-CD1 3.88Å; V216-R263 HydrophobicContact CG1-CB 4.11Å; V216-R263 HydrophobicContact CG1-CG 4.05Å
217K88.3Confident92Very high139 Ų13952.1 Ų52.160%0.60425%0.254SS*.THydrogen-bonded Turntrans-78.3-17.6176.8-68.7175.5-177.2179.70113N213 K214 L215N213-K217 WeakPolarHBondContact O-CD 3.49Å; N213-K217 WeakPolarHBondContact O-CG 3.42Å; K214-K217 PolarHBondContact O-N 3.4Å; L215-K217 PolarHBondContact O-N 3.46Å; L215-K217 VanDerWaalsContact O-N 3.14Å
218S84.8Confident91.8Very high44 Ų4449.7 Ų49.731%0.30824%0.242SC..SBendtrans-78.2137.5176.884.50000109.9G7 L215 V216 Q220 A221G7-S218 WeakPolarHBondContact CA-O 3.36Å; L215-S218 WeakPolarHBondContact O-CB 3.3Å; L215-S218 PolarHBondContact O-N 2.87Å; L215-S218 PolarHBondContact O-OG 3.29Å; V216-S218 VanDerWaalsContact C-N 3.32Å; S218-Q220 PolarHBondContact O-N 3.06Å; S218-A221 WeakPolarHBondContact OG-CB 3.29Å; S218-A221 PolarHBondContact OG-N 3.28Å; S218-A221 VanDerWaalsContact OG-N 3.14Å
219K73.5Confident91.6Very high170 Ų17050.2 Ų50.274%0.73924%0.244SC*.THydrogen-bonded Turntrans-70-11176.2-67-174.7177.1-178.40113.6
220Q71.2Confident91.5Very high181 Ų18148.3 Ų48.385%0.84623%0.233SC*.THydrogen-bonded Turntrans-101-17.2-174.2-65.4177.44.200112.8S218 N222S218-Q220 PolarHBondContact O-N 3.06Å; Q220-N222 PolarHBondContact O-N 3.31Å
221A80.8Confident91.5Very high4 Ų442.9 Ų42.93%0.03321%0.205CC..  trans-91.8103.2-177.600000111.6G7 S34 L215 S218G7-A221 WeakPolarHBondContact CA-O 3.32Å; S34-A221 VanDerWaalsContact OG-CA 3.27Å; S34-A221 WeakPolarHBondContact OG-CA 3.28Å; L215-A221 HydrophobicContact CB-CB 4.12Å; L215-A221 HydrophobicContact CD2-CB 4.23Å; L215-A221 WeakPolarHBondContact O-CB 3.42Å; S218-A221 WeakPolarHBondContact OG-CB 3.29Å; S218-A221 PolarHBondContact OG-N 3.28Å; S218-A221 VanDerWaalsContact OG-N 3.14Å
222N91.9Very high91.4Very high64 Ų6440.9 Ų40.934%0.34220%0.195SC..  trans-82.1123.2160.5-70.5-22.3000108.3S32 C33 S34 V35 Q220S32-N222 WeakPolarHBondContact O-CB 3.41Å; S32-N222 PolarHBondContact O-ND2 3.48Å; C33-N222 HydrophobicContact CB-CB 4.47Å; S34-N222 PolarHBondContact N-O 3.3Å; S34-N222 PolarHBondContact OG-N 2.63Å; S34-N222 PolarHBondContact OG-O 3.32Å; V35-N222 PolarHBondContact N-O 2.95Å; Q220-N222 PolarHBondContact O-N 3.31Å
223I96.4Very high91.4Very high1 Ų142.7 Ų42.71%0.00520%0.204CC..EExtended strand (participates in β ladder)trans-111.5128.2-179.4-54.1-171.1000108.6L8 V9 S10 V35 I212 L215 V216 V225L8-I223 PolarHBondContact O-N 3.01Å; L8-I223 VanDerWaalsContact O-N 3.11Å; V9-I223 CarbonylContact C-O 3.39Å; V9-I223 WeakPolarHBondContact CA-O 3.38Å; V9-I223 HydrophobicContact CG2-CB 4.31Å; S10-I223 PolarHBondContact N-O 3.31Å; V35-I223 HydrophobicContact CB-CG1 4.13Å; V35-I223 HydrophobicContact CB-CG2 4.34Å; V35-I223 HydrophobicContact CG1-CG2 4.39Å; V35-I223 HydrophobicContact CG2-CG1 4.38Å; V35-I223 WeakPolarHBondContact O-CA 3.36Å; I212-I223 HydrophobicContact CD1-CD1 4.46Å; I212-I223 HydrophobicContact CG2-CD1 4.41Å; L215-I223 HydrophobicContact CB-CD1 3.88Å; V216-I223 HydrophobicContact CG2-CD1 3.45Å; V216-I223 VanDerWaalsContact CG2-CD1 3.45Å; I223-V225 HydrophobicContact CG2-CG2 4.46Å
224L97.5Very high91.5Very high1 Ų140.7 Ų40.71%0.00519%0.193CC..EExtended strand (participates in β ladder)trans-107.2129.9171.1-175.762.4000109.3S10 V12 V26 L29 C33 V35 V36 C37S10-L224 CarbonylContact O-C 3.29Å; S10-L224 WeakPolarHBondContact O-CA 3.43Å; V12-L224 HydrophobicContact CG2-CD1 3.81Å; V26-L224 HydrophobicContact CB-CD2 4.41Å; V26-L224 HydrophobicContact CG1-CD2 3.93Å; L29-L224 HydrophobicContact CB-CD1 4.28Å; L29-L224 HydrophobicContact CB-CD2 3.81Å; L29-L224 HydrophobicContact CD1-CD1 4.12Å; C33-L224 HydrophobicContact CB-CB 4.28Å; V35-L224 PolarHBondContact O-N 3.27Å; V36-L224 CarbonylContact C-O 3.54Å; V36-L224 VanDerWaalsContact CA-O 3.28Å; V36-L224 WeakPolarHBondContact CA-O 3.37Å; V36-L224 HydrophobicContact CG2-CB 4.17Å; V36-L224 HydrophobicContact CG2-CD2 4.36Å; C37-L224 PolarHBondContact N-O 3.47Å
225V98.1Very high91.6Very high0 Ų035.4 Ų35.40%017%0.172CC..EExtended strand (participates in β ladder)trans-107.1124.1172.8-172.60000109.1V9 S10 V11 V12 C37 C39 I223 V253 L257V9-V225 HydrophobicContact CG1-CG2 3.77Å; S10-V225 PolarHBondContact O-N 3.22Å; V11-V225 CarbonylContact C-O 3.31Å; V11-V225 WeakPolarHBondContact CA-O 3.36Å; V11-V225 HydrophobicContact CG1-CB 4.39Å; V11-V225 HydrophobicContact CG2-CB 4.24Å; V11-V225 HydrophobicContact CG2-CG2 4.46Å; V12-V225 PolarHBondContact N-O 2.81Å; C37-V225 HydrophobicContact CB-CG2 4.36Å; C39-V225 HydrophobicContact CB-CG1 4.13Å; I223-V225 HydrophobicContact CG2-CG2 4.46Å; V225-V253 HydrophobicContact CB-CG1 4.29Å; V225-V253 HydrophobicContact CG1-CG1 3.95Å; V225-V253 HydrophobicContact CG1-CG2 3.99Å; V225-V253 HydrophobicContact CG2-CG1 4.06Å; V225-L257 HydrophobicContact CB-CD1 4.44Å; V225-L257 HydrophobicContact CG1-CD1 3.93Å; V225-L257 HydrophobicContact CG2-CD1 3.6Å
226E97.6Very high91.8Very high0 Ų039 Ų390%019%0.191CC..EExtended strand (participates in β ladder)trans-101118.3178170.7-173.1160.300109.7V26 C37 R38 H47 P62 S63 A228V26-E226 HydrophobicContact CG1-CB 4.47Å; V26-E226 HydrophobicContact CG2-CB 4.05Å; V26-E226 HydrophobicContact CG2-CG 3.95Å; C37-E226 PolarHBondContact O-N 3.26Å; R38-E226 HydrophobicContact CG-CB 4.49Å; R38-E226 HydrophobicContact CG-CG 4.49Å; R38-E226 IonicContact CZ-OE1 2.78Å; R38-E226 IonicContact NE-OE1 3.58Å; R38-E226 PolarHBondContact NE-OE1 3.02Å; R38-E226 IonicContact NH2-OE1 3.08Å; R38-E226 PolarHBondContact NH2-OE1 2.78Å; H47-E226 IonicContact CE1-OE1 3.59Å; H47-E226 PolarHBondContact CE1-OE1 3.15Å; H47-E226 VanDerWaalsContact CE1-OE1 3.28Å; H47-E226 IonicContact CG-OE1 3.91Å; H47-E226 IonicContact ND1-OE1 2.73Å; H47-E226 PolarHBondContact ND1-OE1 3.49Å; P62-E226 VanDerWaalsContact CA-OE2 3.31Å; P62-E226 WeakPolarHBondContact CA-OE2 3.37Å; S63-E226 PolarHBondContact N-OE1 3.01Å; S63-E226 PolarHBondContact N-OE2 3.27Å; S63-E226 PolarHBondContact OG-OE2 3.17Å; E226-A228 PolarHBondContact O-N 3.18Å
227G96.7Very high92Very high0 Ų042.7 Ų42.70%021%0.207CC..EExtended strand (participates in β ladder)trans-73121.6168.800000111.4V12 K22 H47 Q229V12-G227 PolarHBondContact O-N 3.47Å; K22-G227 WeakPolarHBondContact CD-O 3.31Å; K22-G227 WeakPolarHBondContact CE-O 3.15Å; H47-G227 PolarHBondContact CE1-O 3.33Å; H47-G227 VanDerWaalsContact CE1-O 3.29Å; G227-Q229 PolarHBondContact O-N 3.46Å
228A94Very high92.3Very high3 Ų336.8 Ų36.83%0.02519%0.186CC..EExtended strand (participates in β ladder)trans-67.1-34-179.700000113.2Q40 A45 H47 E226Q40-A228 WeakPolarHBondContact O-CB 3.26Å; A45-A228 HydrophobicContact CB-CB 3.85Å; A45-A228 WeakPolarHBondContact CB-O 3.47Å; H47-A228 PolarHBondContact NE2-O 3.05Å; E226-A228 PolarHBondContact O-N 3.18Å
229Q94.4Very high92.6Very high10 Ų1034.9 Ų34.95%0.04717%0.172CC..EExtended strand (participates in β ladder)trans-127-179.2173.3-69.193.8-17.700109.9N44 A45 G227 L233 T244N44-Q229 PolarHBondContact ND2-NE2 3.23Å; N44-Q229 PolarHBondContact OD1-NE2 2.83Å; A45-Q229 HydrophobicContact CB-CG 4.33Å; G227-Q229 PolarHBondContact O-N 3.46Å; Q229-L233 HydrophobicContact CB-CB 4.33Å; Q229-L233 HydrophobicContact CB-CD1 4.14Å; Q229-L233 HydrophobicContact CG-CD1 4.16Å; Q229-T244 HydrophobicContact CB-CG2 4.25Å; Q229-T244 HydrophobicContact CG-CG2 4.28Å
230S95.2Very high93.5Very high0 Ų034.2 Ų34.20%017%0.167CC..EExtended strand (participates in β ladder)trans-112.9165.7-173.8-59.20000112.6G14 Q16 G18 E20 K22 M232 L233 C248G14-S230 WeakPolarHBondContact CA-OG 3.46Å; G14-S230 WeakPolarHBondContact O-CA 3.49Å; G14-S230 VanDerWaalsContact O-CB 3.3Å; G14-S230 WeakPolarHBondContact O-CB 3.42Å; Q16-S230 WeakPolarHBondContact O-CB 3.38Å; G18-S230 WeakPolarHBondContact CA-OG 3.49Å; G18-S230 VanDerWaalsContact N-CB 3.28Å; G18-S230 PolarHBondContact N-OG 3.49Å; E20-S230 WeakPolarHBondContact OE1-CB 3.39Å; E20-S230 PolarHBondContact OE1-OG 3.39Å; E20-S230 PolarHBondContact OE2-OG 3.28Å; K22-S230 PolarHBondContact NZ-OG 2.95Å; S230-M232 VanDerWaalsContact C-N 3.26Å; S230-M232 PolarHBondContact O-N 3.09Å; S230-M232 VanDerWaalsContact O-N 3.12Å; S230-L233 WeakPolarHBondContact O-CB 3.37Å; S230-L233 PolarHBondContact O-N 3.25Å; S230-C248 VanDerWaalsContact O-CB 3.26Å; S230-C248 WeakPolarHBondContact O-CB 3.32Å
231C95.7Very high94.5Very high0 Ų028.2 Ų28.20%014%0.143CC..G310 helixtrans-51.3-39.9-170.4-164.80000113.8G14 L233 D234 A323G14-C231 PolarHBondContact O-N 3.14Å; C231-L233 PolarHBondContact O-N 3.14Å; C231-D234 WeakPolarHBondContact O-CB 3.31Å; C231-D234 PolarHBondContact O-N 3.12Å; C231-A323 HydrophobicContact CB-CB 3.84Å
232M94.9Very high95Very high0 Ų030.2 Ų30.20%015%0.152CC..G310 helixtrans-78.3-3-177.5-57.3-51.3-62.500114.4Q16 W17 S230 G238 T239 V319 Y322 F364Q16-M232 VanDerWaalsContact O-CB 3.3Å; Q16-M232 WeakPolarHBondContact O-CB 3.38Å; Q16-M232 WeakPolarHBondContact O-CG 3.38Å; Q16-M232 PolarHBondContact O-N 3.2Å; W17-M232 HydrophobicContact CD2-CB 3.55Å; W17-M232 HydrophobicContact CD2-CG 3.99Å; W17-M232 HydrophobicContact CE3-CB 4.23Å; W17-M232 HydrophobicContact CE3-CG 4.17Å; W17-M232 HydrophobicContact CG-CB 3.72Å; W17-M232 HydrophobicContact CH2-CE 4.42Å; W17-M232 HydrophobicContact CH2-CG 4.16Å; W17-M232 HydrophobicContact CZ2-CB 3.88Å; W17-M232 HydrophobicContact CZ2-CE 3.95Å; W17-M232 HydrophobicContact CZ2-CG 3.97Å; W17-M232 HydrophobicContact CZ3-CG 4.26Å; S230-M232 VanDerWaalsContact C-N 3.26Å; S230-M232 PolarHBondContact O-N 3.09Å; S230-M232 VanDerWaalsContact O-N 3.12Å; M232-G238 VanDerWaalsContact O-CA 3.23Å; M232-G238 WeakPolarHBondContact O-CA 3.17Å; M232-T239 HydrophobicContact CE-CG2 4.01Å; M232-T239 PolarHBondContact O-N 3.2Å; M232-T239 VanDerWaalsContact O-N 3.09Å; M232-V319 HydrophobicContact CG-CG1 3.54Å; M232-V319 HydrophobicContact SD-CG1 3.87Å; M232-Y322 HydrophobicContact CE-CD1 4.39Å; M232-Y322 HydrophobicContact CE-CE1 4.39Å; M232-Y322 HydrophobicContact SD-CD1 3.89Å; M232-Y322 HydrophobicContact SD-CE1 4.13Å; M232-F364 HydrophobicContact CE-CD1 3.7Å; M232-F364 HydrophobicContact CE-CD2 4.27Å; M232-F364 HydrophobicContact CE-CE1 3.31Å; M232-F364 HydrophobicContact CE-CE2 3.95Å; M232-F364 HydrophobicContact CE-CG 4.13Å; M232-F364 HydrophobicContact CE-CZ 3.42Å; M232-F364 VanDerWaalsContact CE-CZ 3.42Å
233L94.8Very high95.1Very high39 Ų3928.5 Ų28.520%0.20414%0.144CC..G310 helixtrans-101.24.3166.8-63.4178.8000112.4W17 Q229 S230 C231 V243 T244W17-L233 WeakPolarHBondContact O-CD1 3.23Å; Q229-L233 HydrophobicContact CB-CB 4.33Å; Q229-L233 HydrophobicContact CB-CD1 4.14Å; Q229-L233 HydrophobicContact CG-CD1 4.16Å; S230-L233 WeakPolarHBondContact O-CB 3.37Å; S230-L233 PolarHBondContact O-N 3.25Å; C231-L233 PolarHBondContact O-N 3.14Å; L233-V243 WeakPolarHBondContact O-CB 3.34Å; L233-T244 HydrophobicContact CB-CG2 4.29Å; L233-T244 WeakPolarHBondContact O-CG2 3.42Å; L233-T244 PolarHBondContact O-N 3.33Å
234D96.8Very high95Very high0 Ų029 Ų290%015%0.146CC..  trans-61.2139.6175.5-168.2-59.8000110.7C231 D236 F237 G238 V243 N247 C248 S249C231-D234 WeakPolarHBondContact O-CB 3.31Å; C231-D234 PolarHBondContact O-N 3.12Å; D234-D236 VanDerWaalsContact C-N 3.28Å; D234-D236 PolarHBondContact O-N 2.95Å; D234-D236 PolarHBondContact OD1-N 3.2Å; D234-F237 HydrophobicContact CB-CB 4.17Å; D234-F237 PolarHBondContact OD1-N 3.21Å; D234-G238 VanDerWaalsContact O-CA 3.26Å; D234-G238 WeakPolarHBondContact O-CA 3.29Å; D234-G238 PolarHBondContact O-N 2.92Å; D234-V243 WeakPolarHBondContact O-CB 2.99Å; D234-V243 VanDerWaalsContact O-CG1 3.25Å; D234-V243 WeakPolarHBondContact O-CG1 3.45Å; D234-N247 PolarHBondContact OD1-ND2 3.33Å; D234-N247 VanDerWaalsContact OD2-CA 3.31Å; D234-N247 WeakPolarHBondContact OD2-CA 3.48Å; D234-C248 HydrophobicContact CB-CB 4.07Å; D234-C248 PolarHBondContact OD2-N 3.13Å; D234-S249 PolarHBondContact OD2-N 3.29Å; D234-S249 PolarHBondContact OD2-OG 2.93Å
235I96.8Very high95Very high50 Ų5030.9 Ų30.926%0.25616%0.16SC..THydrogen-bonded Turntrans-62.6-32.8-179.6-171.956.6000113.5Y240 V243 T244 S246I235-Y240 HydrophobicContact CD1-CD2 4.43Å; I235-Y240 HydrophobicContact CD1-CE2 4.38Å; I235-V243 HydrophobicContact CD1-CG2 3.78Å; I235-T244 WeakPolarHBondContact CB-O 3.46Å; I235-S246 PolarHBondContact N-O 3.04Å
236D96.6Very high94.9Very high111 Ų11131.1 Ų31.159%0.59416%0.161SC*.THydrogen-bonded Turntrans-98.6-34-176.2-66.1-50.5000111.9D234 N247D234-D236 VanDerWaalsContact C-N 3.28Å; D234-D236 PolarHBondContact O-N 2.95Å; D234-D236 PolarHBondContact OD1-N 3.2Å; D236-N247 PolarHBondContact OD2-ND2 2.84Å
237F95.9Very high94.9Very high79 Ų7933.3 Ų33.335%0.34617%0.173SC..THydrogen-bonded Turntrans-113.8-8.8-170.6-53.6-57.9000114.6D234 Y322 I326D234-F237 HydrophobicContact CB-CB 4.17Å; D234-F237 PolarHBondContact OD1-N 3.21Å; F237-Y322 HydrophobicContact CB-CE1 4.49Å; F237-Y322 WeakPolarHBondContact O-CE1 3.44Å; F237-Y322 PolarHBondContact O-OH 2.79Å; F237-I326 HydrophobicContact CB-CD1 3.69Å; F237-I326 HydrophobicContact CD1-CD1 4.33Å; F237-I326 HydrophobicContact CD2-CD1 4.37Å; F237-I326 HydrophobicContact CD2-CG2 4.08Å; F237-I326 HydrophobicContact CE2-CG2 4.27Å; F237-I326 HydrophobicContact CG-CD1 3.89Å
238G94.2Very high95Very high15 Ų1533.3 Ų33.316%0.15517%0.173CC..SBendtrans-83.2-170.4-177.800000114M232 D234 Y240M232-G238 VanDerWaalsContact O-CA 3.23Å; M232-G238 WeakPolarHBondContact O-CA 3.17Å; D234-G238 VanDerWaalsContact O-CA 3.26Å; D234-G238 WeakPolarHBondContact O-CA 3.29Å; D234-G238 PolarHBondContact O-N 2.92Å; G238-Y240 PolarHBondContact O-N 3.06Å
239T92.2Very high95.1Very high4 Ų433.4 Ų33.43%0.02517%0.174CC..SBendtrans-77.168.2177.152.90000112.2W17 M232 H242 R277 F364 L371W17-T239 HydrophobicContact CZ2-CG2 3.67Å; W17-T239 PolarHBondContact NE1-OG1 3.01Å; M232-T239 HydrophobicContact CE-CG2 4.01Å; M232-T239 PolarHBondContact O-N 3.2Å; M232-T239 VanDerWaalsContact O-N 3.09Å; T239-H242 CarbonylContact O-C 3.53Å; T239-H242 WeakPolarHBondContact O-CA 3.49Å; T239-H242 WeakPolarHBondContact O-CB 3.48Å; T239-H242 PolarHBondContact O-N 3.36Å; T239-R277 PolarHBondContact OG1-NH1 3.33Å; T239-R277 PolarHBondContact OG1-NH2 3.02Å; T239-F364 HydrophobicContact CG2-CE1 3.87Å; T239-F364 HydrophobicContact CG2-CZ 3.75Å; T239-L371 HydrophobicContact CG2-CD2 4.27Å
240Y92.5Very high95.3Very high157 Ų15734.6 Ų34.662%0.61618%0.182SC*.THydrogen-bonded Turntrans-58.4138.1-178.5-176.1-87.4000111.6I235 G238 V243I235-Y240 HydrophobicContact CD1-CD2 4.43Å; I235-Y240 HydrophobicContact CD1-CE2 4.38Å; G238-Y240 PolarHBondContact O-N 3.06Å; Y240-V243 HydrophobicContact CD2-CG2 4Å
241P91.7Very high95.4Very high54 Ų5436.3 Ų36.335%0.35120%0.199SC..THydrogen-bonded Turncis-87.16.23.935-36.5000115.3L133 V243L133-P241 HydrophobicContact CD2-CB 4Å; L133-P241 HydrophobicContact CD2-CG 3.81Å; P241-V243 PolarHBondContact O-N 2.74Å
242H91Very high95.5Very high46 Ų4636.4 Ų36.421%0.21320%0.2CC..SBendtrans-84.358.6-177.2-55.9-75.4000112.5T239 S280T239-H242 CarbonylContact O-C 3.53Å; T239-H242 WeakPolarHBondContact O-CA 3.49Å; T239-H242 WeakPolarHBondContact O-CB 3.48Å; T239-H242 PolarHBondContact O-N 3.36Å; H242-S280 PolarHBondContact CE1-OG 3.39Å; H242-S280 PolarHBondContact ND1-OG 2.83Å
243V93.7Very high95.6Very high29 Ų2936.4 Ų36.418%0.17620%0.2CC..SBendtrans-133.6167.2-172-660000111L233 D234 I235 Y240 P241L233-V243 WeakPolarHBondContact O-CB 3.34Å; D234-V243 WeakPolarHBondContact O-CB 2.99Å; D234-V243 VanDerWaalsContact O-CG1 3.25Å; D234-V243 WeakPolarHBondContact O-CG1 3.45Å; I235-V243 HydrophobicContact CD1-CG2 3.78Å; Y240-V243 HydrophobicContact CD2-CG2 4Å; P241-V243 PolarHBondContact O-N 2.74Å
244T94.8Very high95.8Very high10 Ų1035.4 Ų35.46%0.06120%0.196CC..  trans-78165.8166.3-172.10000109.9N44 Q229 L233 I235 S246 C248N44-T244 PolarHBondContact ND2-OG1 2.63Å; Q229-T244 HydrophobicContact CB-CG2 4.25Å; Q229-T244 HydrophobicContact CG-CG2 4.28Å; L233-T244 HydrophobicContact CB-CG2 4.29Å; L233-T244 WeakPolarHBondContact O-CG2 3.42Å; L233-T244 PolarHBondContact O-N 3.33Å; I235-T244 WeakPolarHBondContact CB-O 3.46Å; T244-S246 VanDerWaalsContact CG2-OG 3.31Å; T244-S246 WeakPolarHBondContact CG2-OG 3.41Å; T244-S246 PolarHBondContact O-N 3.41Å; T244-C248 WeakPolarHBondContact CG2-SG 3.41Å
245S96.7Very high95.8Very high42 Ų4239.9 Ų39.929%0.29422%0.224SC..SBendtrans-88.325.9-178.5-50.10000113.5G141 Y144G141-S245 VanDerWaalsContact CA-OG 3.28Å; G141-S245 WeakPolarHBondContact CA-OG 3.1Å; Y144-S245 VanDerWaalsContact CD1-O 3.25Å; Y144-S245 WeakPolarHBondContact CD1-O 3.22Å; Y144-S245 VanDerWaalsContact CG-O 3.22Å
246S97.4Very high95.9Very high4 Ų437.6 Ų37.63%0.02821%0.212CC..SBendtrans-143.7156.7-172.965.80000111.6G41 Y144 I235 T244G41-S246 PolarHBondContact N-OG 3.15Å; Y144-S246 VanDerWaalsContact OH-CB 3.31Å; Y144-S246 WeakPolarHBondContact OH-CB 3.32Å; I235-S246 PolarHBondContact N-O 3.04Å; T244-S246 VanDerWaalsContact CG2-OG 3.31Å; T244-S246 WeakPolarHBondContact CG2-OG 3.41Å; T244-S246 PolarHBondContact O-N 3.41Å
247N97.8Very high96Very high47 Ų4732.3 Ų32.325%0.25118%0.184SC..  trans-79.4123.7177-58.499.8000111.9Q40 D234 D236Q40-N247 WeakPolarHBondContact CB-O 3.35Å; Q40-N247 VanDerWaalsContact CG-O 3.32Å; Q40-N247 WeakPolarHBondContact CG-O 3.31Å; D234-N247 PolarHBondContact OD1-ND2 3.33Å; D234-N247 VanDerWaalsContact OD2-CA 3.31Å; D234-N247 WeakPolarHBondContact OD2-CA 3.48Å; D236-N247 PolarHBondContact OD2-ND2 2.84Å
248C97.4Very high96Very high0 Ų030 Ų300%018%0.182CC..  trans-102.919.7-178.7-54.60000112.8S230 D234 T244S230-C248 VanDerWaalsContact O-CB 3.26Å; S230-C248 WeakPolarHBondContact O-CB 3.32Å; D234-C248 HydrophobicContact CB-CB 4.07Å; D234-C248 PolarHBondContact OD2-N 3.13Å; T244-C248 WeakPolarHBondContact CG2-SG 3.41Å
249S97.4Very high96Very high5 Ų529.6 Ų29.64%0.03518%0.176CC..SBendtrans-110.9175.9178.958.20000112.8D234 G251 G252 V253 N327D234-S249 PolarHBondContact OD2-N 3.29Å; D234-S249 PolarHBondContact OD2-OG 2.93Å; S249-G251 PolarHBondContact O-N 2.86Å; S249-G252 WeakPolarHBondContact O-CA 3.29Å; S249-G252 PolarHBondContact O-N 2.95Å; S249-V253 PolarHBondContact O-N 3.29Å; S249-N327 WeakPolarHBondContact CA-OD1 3.4Å; S249-N327 WeakPolarHBondContact CB-OD1 3.43Å
250V97.3Very high96.1Very high35 Ų3531.9 Ų31.921%0.21219%0.193CC..Hα-helixtrans-56.7-29172.768.80000113.1G252 V253 C254 V264 V267 N327V250-G252 VanDerWaalsContact C-N 3.31Å; V250-G252 PolarHBondContact O-N 3.17Å; V250-V253 WeakPolarHBondContact O-CB 3.41Å; V250-V253 PolarHBondContact O-N 2.81Å; V250-C254 PolarHBondContact O-N 3.42Å; V250-C254 PolarHBondContact O-SG 3.02Å; V250-C254 VanDerWaalsContact O-SG 3.33Å; V250-V264 HydrophobicContact CG2-CB 4.4Å; V250-V264 HydrophobicContact CG2-CG1 3.79Å; V250-V264 HydrophobicContact CG2-CG2 4.11Å; V250-V267 HydrophobicContact CG2-CG2 4.43Å; V250-N327 PolarHBondContact N-OD1 3.39Å
251G97.5Very high96.2Very high36 Ų3629 Ų2937%0.37119%0.193SC..Hα-helixtrans-63.5-37.5171.600000112.6S249 V253 C254 T255S249-G251 PolarHBondContact O-N 2.86Å; G251-V253 VanDerWaalsContact C-N 3.32Å; G251-V253 PolarHBondContact O-N 3.46Å; G251-C254 PolarHBondContact O-N 3.04Å; G251-T255 PolarHBondContact O-N 3.36Å; G251-T255 VanDerWaalsContact O-N 3.11Å; G251-T255 PolarHBondContact O-OG1 2.83Å; G251-T255 VanDerWaalsContact O-OG1 3.05Å
252G98Very high96.2Very high2 Ų229.9 Ų29.92%0.02120%0.201CC..Hα-helixtrans-64.2-33.8172.400000113.1S249 V250 T255 G256S249-G252 WeakPolarHBondContact O-CA 3.29Å; S249-G252 PolarHBondContact O-N 2.95Å; V250-G252 VanDerWaalsContact C-N 3.31Å; V250-G252 PolarHBondContact O-N 3.17Å; G252-T255 PolarHBondContact O-OG1 3.33Å; G252-G256 VanDerWaalsContact O-CA 3.3Å; G252-G256 WeakPolarHBondContact O-CA 3.49Å; G252-G256 PolarHBondContact O-N 3.1Å
253V97.9Very high96.3Very high0 Ų030.3 Ų30.30%020%0.2CC..Hα-helixtrans-62.5-46.5173.5174.50000111.2V11 V225 S249 V250 G251 L257V11-V253 HydrophobicContact CG1-CG2 3.68Å; V11-V253 HydrophobicContact CG2-CG1 4.23Å; V11-V253 HydrophobicContact CG2-CG2 4.42Å; V225-V253 HydrophobicContact CB-CG1 4.29Å; V225-V253 HydrophobicContact CG1-CG1 3.95Å; V225-V253 HydrophobicContact CG1-CG2 3.99Å; V225-V253 HydrophobicContact CG2-CG1 4.06Å; S249-V253 PolarHBondContact O-N 3.29Å; V250-V253 WeakPolarHBondContact O-CB 3.41Å; V250-V253 PolarHBondContact O-N 2.81Å; G251-V253 VanDerWaalsContact C-N 3.32Å; G251-V253 PolarHBondContact O-N 3.46Å; V253-L257 HydrophobicContact CG1-CD1 4.12Å; V253-L257 WeakPolarHBondContact O-CB 3.3Å; V253-L257 PolarHBondContact O-N 3.3Å; V253-L257 VanDerWaalsContact O-N 3.16Å
254C97.6Very high96.3Very high17 Ų1730.3 Ų30.312%0.11520%0.2CC..Hα-helixtrans-63.7-52.8-178.5-600000111.2V250 G251 G256 G258 L259 P261V250-C254 PolarHBondContact O-N 3.42Å; V250-C254 PolarHBondContact O-SG 3.02Å; V250-C254 VanDerWaalsContact O-SG 3.33Å; G251-C254 PolarHBondContact O-N 3.04Å; C254-G256 VanDerWaalsContact C-N 3.35Å; C254-G256 PolarHBondContact O-N 2.92Å; C254-G258 WeakPolarHBondContact O-CA 3.21Å; C254-G258 PolarHBondContact O-N 3.32Å; C254-L259 WeakPolarHBondContact CA-O 3.29Å; C254-L259 WeakPolarHBondContact CB-O 3.35Å; C254-L259 PolarHBondContact O-N 3.38Å; C254-P261 HydrophobicContact CB-CG 4.47Å
255T97.7Very high96.2Very high95 Ų9531.5 Ų31.558%0.58322%0.215SC*.Hα-helixtrans-71.8-28.9-178.356.10000113.1N76 G251 G252N76-T255 PolarHBondContact ND2-O 3.44Å; G251-T255 PolarHBondContact O-N 3.36Å; G251-T255 VanDerWaalsContact O-N 3.11Å; G251-T255 PolarHBondContact O-OG1 2.83Å; G251-T255 VanDerWaalsContact O-OG1 3.05Å; G252-T255 PolarHBondContact O-OG1 3.33Å
256G98.3Very high96.2Very high1 Ų135.4 Ų35.41%0.0122%0.223CC..Hα-helixtrans-81.5-17.3-178.500000115.4C39 G75 N76 G77 G252 C254C39-G256 VanDerWaalsContact O-CA 3.26Å; C39-G256 WeakPolarHBondContact O-CA 3.37Å; G75-G256 CarbonylContact C-O 3.58Å; G75-G256 VanDerWaalsContact C-O 3.29Å; G75-G256 WeakPolarHBondContact CA-O 3.27Å; N76-G256 PolarHBondContact N-O 2.92Å; N76-G256 VanDerWaalsContact OD1-C 3.27Å; N76-G256 PolarHBondContact OD1-O 2.97Å; G77-G256 PolarHBondContact N-O 3.26Å; G77-G256 VanDerWaalsContact N-O 3.08Å; G252-G256 VanDerWaalsContact O-CA 3.3Å; G252-G256 WeakPolarHBondContact O-CA 3.49Å; G252-G256 PolarHBondContact O-N 3.1Å; C254-G256 VanDerWaalsContact C-N 3.35Å; C254-G256 PolarHBondContact O-N 2.92Å
257L98Very high96.2Very high1 Ų135.6 Ų35.61%0.00522%0.224CC..Hα-helixtrans-118.4-8.1176.9-61.4174.4000113.8C37 C39 V225 V253 L259C37-L257 HydrophobicContact CB-CD1 4.06Å; C37-L257 HydrophobicContact CB-CD2 3.93Å; C39-L257 HydrophobicContact CB-CD1 4.19Å; C39-L257 HydrophobicContact CB-CD2 4.05Å; C39-L257 HydrophobicContact CB-CG 3.73Å; V225-L257 HydrophobicContact CB-CD1 4.44Å; V225-L257 HydrophobicContact CG1-CD1 3.93Å; V225-L257 HydrophobicContact CG2-CD1 3.6Å; V253-L257 HydrophobicContact CG1-CD1 4.12Å; V253-L257 WeakPolarHBondContact O-CB 3.3Å; V253-L257 PolarHBondContact O-N 3.3Å; V253-L257 VanDerWaalsContact O-N 3.16Å; L257-L259 VanDerWaalsContact C-N 3.29Å; L257-L259 HydrophobicContact CB-CB 4.21Å
258G97.1Very high96.2Very high29 Ų2934 Ų3430%0.29921%0.214SC..THydrogen-bonded Turntrans64.937.3-168.900000111.8N213 C254N213-G258 PolarHBondContact ND2-O 2.96Å; C254-G258 WeakPolarHBondContact O-CA 3.21Å; C254-G258 PolarHBondContact O-N 3.32Å
259L94.5Very high96.2Very high7 Ų734 Ų344%0.03721%0.214CC..  trans-99.7133.3-178-172.171.4000109.9V9 I212 V216 C254 L257 R263 V264V9-L259 HydrophobicContact CB-CD2 4.39Å; V9-L259 HydrophobicContact CG1-CD2 3.93Å; V9-L259 HydrophobicContact CG2-CD2 4.11Å; I212-L259 HydrophobicContact CG2-CD1 4.11Å; V216-L259 HydrophobicContact CG2-CD1 3.88Å; C254-L259 WeakPolarHBondContact CA-O 3.29Å; C254-L259 WeakPolarHBondContact CB-O 3.35Å; C254-L259 PolarHBondContact O-N 3.38Å; L257-L259 VanDerWaalsContact C-N 3.29Å; L257-L259 HydrophobicContact CB-CB 4.21Å; L259-R263 HydrophobicContact CD1-CB 3.67Å; L259-R263 HydrophobicContact CD1-CG 4.04Å; L259-R263 HydrophobicContact CD2-CB 4.19Å; L259-R263 HydrophobicContact CG-CB 3.87Å; L259-V264 HydrophobicContact CD2-CG2 4.24Å
260S93.4Very high96.3Very high53 Ų5333.7 Ų33.737%0.37121%0.213SC..  trans-64.3136.7172.4171.50000110.4S262 R263S260-S262 PolarHBondContact O-N 2.86Å; S260-S262 VanDerWaalsContact O-N 3.07Å; S260-S262 PolarHBondContact OG-N 2.66Å; S260-S262 PolarHBondContact OG-OG 3.17Å; S260-R263 WeakPolarHBondContact O-CB 3.27Å; S260-R263 PolarHBondContact O-N 3.36Å
261P94.2Very high96.3Very high96 Ų9632 Ų3262%0.62320%0.203SC*.G310 helixtrans-52.3-33.5175.5-27.634.5000113.5C254 R263 V264C254-P261 HydrophobicContact CB-CG 4.47Å; P261-R263 PolarHBondContact O-N 2.76Å; P261-V264 PolarHBondContact O-N 3.26Å; P261-V264 VanDerWaalsContact O-N 3.09Å
262S92.3Very high96.3Very high73 Ų7330.3 Ų30.351%0.5119%0.185SC..G310 helixtrans-66.4-6.7177.465.30000115.4S260S260-S262 PolarHBondContact O-N 2.86Å; S260-S262 VanDerWaalsContact O-N 3.07Å; S260-S262 PolarHBondContact OG-N 2.66Å; S260-S262 PolarHBondContact OG-OG 3.17Å
263R92.2Very high96.3Very high55 Ų5530.3 Ų30.321%0.20818%0.184CC..G310 helixtrans-98.8-13.8175.5-60.7-56.3-168-16213.5113.2E6 V9 V216 L259 S260 P261 G265E6-R263 IonicContact OE1-CZ 2.85Å; E6-R263 VanDerWaalsContact OE1-CZ 3.26Å; E6-R263 IonicContact OE1-NH1 3.26Å; E6-R263 PolarHBondContact OE1-NH1 2.78Å; E6-R263 IonicContact OE1-NH2 3.73Å; E6-R263 PolarHBondContact OE1-NH2 3.15Å; E6-R263 IonicContact OE2-CZ 3.17Å; E6-R263 IonicContact OE2-NH1 3.58Å; E6-R263 PolarHBondContact OE2-NH1 3.13Å; E6-R263 IonicContact OE2-NH2 2.85Å; V9-R263 WeakPolarHBondContact CB-O 3.02Å; V9-R263 WeakPolarHBondContact CG2-O 3.06Å; V216-R263 HydrophobicContact CG1-CB 4.11Å; V216-R263 HydrophobicContact CG1-CG 4.05Å; L259-R263 HydrophobicContact CD1-CB 3.67Å; L259-R263 HydrophobicContact CD1-CG 4.04Å; L259-R263 HydrophobicContact CD2-CB 4.19Å; L259-R263 HydrophobicContact CG-CB 3.87Å; S260-R263 WeakPolarHBondContact O-CB 3.27Å; S260-R263 PolarHBondContact O-N 3.36Å; P261-R263 PolarHBondContact O-N 2.76Å; R263-G265 PolarHBondContact O-N 3.5Å
264V94Very high96.3Very high29 Ų2930.3 Ų30.318%0.17618%0.184CC..EExtended strand (participates in β ladder)trans-67.7120.8174.4-179.80000107.7V11 V250 L259 P261 V267V11-V264 HydrophobicContact CG2-CG1 3.91Å; V250-V264 HydrophobicContact CG2-CB 4.4Å; V250-V264 HydrophobicContact CG2-CG1 3.79Å; V250-V264 HydrophobicContact CG2-CG2 4.11Å; L259-V264 HydrophobicContact CD2-CG2 4.24Å; P261-V264 PolarHBondContact O-N 3.26Å; P261-V264 VanDerWaalsContact O-N 3.09Å; V264-V267 HydrophobicContact CG1-CG2 3.79Å
265G93.6Very high96.3Very high35 Ų3529.5 Ų29.536%0.36118%0.179SC..EExtended strand (participates in β ladder)trans-92.3-114.2177.500000110.2V9 R263V9-G265 CarbonylContact O-C 3.57Å; V9-G265 WeakPolarHBondContact O-CA 3.09Å; V9-G265 PolarHBondContact O-N 3.49Å; R263-G265 PolarHBondContact O-N 3.5Å
266R95.6Very high96.2Very high123 Ų12325.1 Ų25.146%0.46415%0.152SC..EExtended strand (participates in β ladder)trans-82.2129.8-177-65.4-178.2178.4-176.5-1.9111.5V9 S10 V11 Y268 N330V9-R266 PolarHBondContact O-N 2.86Å; S10-R266 CarbonylContact C-O 3.56Å; S10-R266 VanDerWaalsContact CA-O 3.26Å; S10-R266 WeakPolarHBondContact CA-O 3.32Å; V11-R266 PolarHBondContact N-O 3.05Å; R266-Y268 HydrophobicContact CB-CE1 3.92Å; R266-Y268 HydrophobicContact CB-CE2 4.09Å; R266-Y268 WeakPolarHBondContact CD-OH 3.39Å; R266-N330 WeakPolarHBondContact CA-OD1 3.31Å
267V97.7Very high95.8Very high8 Ų825.3 Ų25.35%0.04815%0.153CC..EExtended strand (participates in β ladder)trans-106.7120.9173.2-169.30000108.5V11 L13 V250 V264 F329 N330V11-V267 HydrophobicContact CB-CG1 4.24Å; V11-V267 HydrophobicContact CB-CG2 4.35Å; V11-V267 HydrophobicContact CG1-CG1 4.41Å; L13-V267 HydrophobicContact CD1-CG1 4.24Å; V250-V267 HydrophobicContact CG2-CG2 4.43Å; V264-V267 HydrophobicContact CG1-CG2 3.79Å; V267-F329 HydrophobicContact CG1-CD1 3.84Å; V267-F329 HydrophobicContact CG1-CE1 4.06Å; V267-F329 CarbonylContact O-C 3.54Å; V267-F329 WeakPolarHBondContact O-CA 3.34Å; V267-N330 PolarHBondContact N-OD1 3.39Å; V267-N330 PolarHBondContact O-N 2.92Å; V267-N330 PolarHBondContact O-OD1 3.27Å
268Y98.3Very high95.2Very high13 Ų1327.7 Ų27.75%0.05117%0.167CC..EExtended strand (participates in β ladder)trans-109.4128.3178.6-54.5-57.4000109.9V11 V12 L13 L29 R266 A331 R417 W418V11-Y268 PolarHBondContact O-N 3.08Å; V12-Y268 WeakPolarHBondContact CA-O 3.22Å; L13-Y268 PolarHBondContact N-O 3.07Å; L29-Y268 HydrophobicContact CD1-CD2 3.85Å; L29-Y268 HydrophobicContact CD1-CE2 4.09Å; R266-Y268 HydrophobicContact CB-CE1 3.92Å; R266-Y268 HydrophobicContact CB-CE2 4.09Å; R266-Y268 WeakPolarHBondContact CD-OH 3.39Å; Y268-A331 WeakPolarHBondContact CA-O 3.13Å; Y268-A331 HydrophobicContact CD1-CB 4.12Å; Y268-A331 HydrophobicContact CE1-CB 4.42Å; Y268-R417 PolarHBondContact OH-NH1 2.72Å; Y268-W418 AromaticContact CD1-CH2 3.58Å; Y268-W418 HydrophobicContact CD1-CH2 3.58Å; Y268-W418 AromaticContact CD1-CZ3 3.61Å; Y268-W418 HydrophobicContact CD1-CZ3 3.61Å; Y268-W418 AromaticContact CD2-CH2 3.96Å; Y268-W418 HydrophobicContact CD2-CH2 3.96Å; Y268-W418 HydrophobicContact CD2-CZ3 4.4Å; Y268-W418 AromaticContact CE1-CH2 3.59Å; Y268-W418 HydrophobicContact CE1-CH2 3.59Å; Y268-W418 HydrophobicContact CE1-CZ3 4.06Å; Y268-W418 AromaticContact CE2-CH2 3.97Å; Y268-W418 HydrophobicContact CE2-CH2 3.97Å; Y268-W418 AromaticContact CG-CH2 3.75Å; Y268-W418 HydrophobicContact CG-CH2 3.75Å; Y268-W418 AromaticContact CG-CZ3 3.78Å; Y268-W418 HydrophobicContact CG-CZ3 3.78Å; Y268-W418 AromaticContact CZ-CH2 3.76Å
269G98.4Very high94.4Very high0 Ų027.4 Ų27.40%016%0.164CC..EExtended strand (participates in β ladder)trans-89.1139.717400000110.6L13 F329 A331 L332 A333L13-G269 CarbonylContact O-C 3.6Å; L13-G269 WeakPolarHBondContact O-CA 3.33Å; G269-F329 VanDerWaalsContact CA-CD1 3.48Å; G269-F329 VanDerWaalsContact N-CD1 3.31Å; G269-A331 PolarHBondContact N-O 2.91Å; G269-L332 CarbonylContact O-C 3.43Å; G269-L332 VanDerWaalsContact O-CA 3.25Å; G269-L332 WeakPolarHBondContact O-CA 3.35Å; G269-A333 PolarHBondContact O-N 3.27Å
270V98.4Very high93.6Very high0 Ų029.5 Ų29.50%018%0.179CC..EExtended strand (participates in β ladder)trans-110126.2170.2-1670000108.3V12 L13 G14 A15 E20 K22 L25 A333 T335V12-V270 HydrophobicContact CG1-CG2 3.56Å; L13-V270 PolarHBondContact O-N 3.48Å; G14-V270 WeakPolarHBondContact CA-O 3.31Å; A15-V270 PolarHBondContact N-O 2.89Å; E20-V270 HydrophobicContact CB-CB 4.12Å; E20-V270 HydrophobicContact CB-CG1 3.8Å; E20-V270 WeakPolarHBondContact CB-O 3.4Å; E20-V270 WeakPolarHBondContact CG-O 3.3Å; E20-V270 WeakPolarHBondContact O-CG1 3.32Å; K22-V270 HydrophobicContact CG-CB 4.05Å; K22-V270 HydrophobicContact CG-CG2 4Å; L25-V270 HydrophobicContact CB-CG2 4.37Å; L25-V270 HydrophobicContact CD2-CG2 3.67Å; V270-A333 HydrophobicContact CG1-CB 4.34Å; V270-A333 HydrophobicContact CG2-CB 4.48Å; V270-T335 HydrophobicContact CG1-CG2 3.83Å
271I98.4Very high93.2Very high0 Ų027.9 Ų27.90%017%0.171CC..EExtended strand (participates in β ladder)trans-127149.2175.458.7168.6000108.7A15 I320 L332 A333 L334 T335 V408A15-I271 HydrophobicContact CB-CG2 3.71Å; I271-I320 HydrophobicContact CB-CD1 4.24Å; I271-I320 HydrophobicContact CD1-CD1 4.08Å; I271-I320 HydrophobicContact CG2-CD1 3.74Å; I271-I320 HydrophobicContact CG2-CG1 3.83Å; I271-I320 HydrophobicContact CG2-CG2 4.15Å; I271-L332 HydrophobicContact CD1-CD1 4.05Å; I271-A333 PolarHBondContact N-O 2.97Å; I271-L334 HydrophobicContact CD1-CD1 3.74Å; I271-L334 HydrophobicContact CG1-CB 4.46Å; I271-L334 HydrophobicContact CG1-CD1 3.91Å; I271-L334 CarbonylContact O-C 3.58Å; I271-L334 WeakPolarHBondContact O-CA 3.4Å; I271-T335 PolarHBondContact O-N 2.85Å; I271-T335 PolarHBondContact O-OG1 2.67Å; I271-V408 HydrophobicContact CD1-CG1 4.27Å
272K97.3Very high92.9Very high0 Ų023.5 Ų23.50%014%0.142CC..EExtended strand (participates in β ladder)trans-93.7150.8166.3-173.3-176.1-61178.10108.7D19 Y274 T276 E301 L315 T335 K336D19-K272 WeakPolarHBondContact O-CE 3.27Å; D19-K272 PolarHBondContact O-NZ 3.39Å; D19-K272 IonicContact OD2-NZ 3.62Å; D19-K272 PolarHBondContact OD2-NZ 3.01Å; K272-Y274 CarbonylContact C-O 3.59Å; K272-Y274 VanDerWaalsContact CB-O 3.26Å; K272-Y274 WeakPolarHBondContact CB-O 3.12Å; K272-Y274 HydrophobicContact CD-CD1 4.1Å; K272-Y274 HydrophobicContact CD-CD2 3.74Å; K272-Y274 HydrophobicContact CD-CE1 3.72Å; K272-Y274 HydrophobicContact CD-CE2 3.36Å; K272-Y274 HydrophobicContact CD-CG 4.12Å; K272-Y274 HydrophobicContact CG-CD1 3.99Å; K272-Y274 HydrophobicContact CG-CD2 4.39Å; K272-Y274 HydrophobicContact CG-CE1 3.85Å; K272-Y274 HydrophobicContact CG-CE2 4.29Å; K272-Y274 HydrophobicContact CG-CG 4.28Å; K272-Y274 PolarHBondContact O-N 3.18Å; K272-T276 HydrophobicContact CD-CG2 4Å; K272-T276 VanDerWaalsContact NZ-CG2 3.26Å; K272-T276 PolarHBondContact NZ-OG1 2.85Å; K272-E301 IonicContact NZ-OE1 2.68Å; K272-E301 PolarHBondContact NZ-OE1 2.75Å; K272-E301 IonicContact NZ-OE2 2.77Å; K272-E301 PolarHBondContact NZ-OE2 2.91Å; K272-L315 VanDerWaalsContact O-CD1 3.28Å; K272-L315 WeakPolarHBondContact O-CD1 3.39Å; K272-T335 CarbonylContact C-O 3.59Å; K272-T335 WeakPolarHBondContact CA-O 3.45Å; K272-T335 WeakPolarHBondContact CA-OG1 3.36Å; K272-K336 HydrophobicContact CD-CB 4.49Å; K272-K336 HydrophobicContact CD-CD 4.03Å; K272-K336 HydrophobicContact CG-CB 3.97Å; K272-K336 HydrophobicContact CG-CD 4.32Å; K272-K336 HydrophobicContact CG-CG 4.29Å
273A98Very high92.9Very high1 Ų120.7 Ų20.71%0.00812%0.121CC..SBendtrans-63.1-4.5178.700000114.4L334 T335 I337 L340 F404A273-L334 HydrophobicContact CB-CD1 3.98Å; A273-L334 HydrophobicContact CB-CG 4.41Å; A273-T335 PolarHBondContact N-O 3.08Å; A273-I337 HydrophobicContact CB-CB 4.37Å; A273-I337 HydrophobicContact CB-CG1 4.44Å; A273-L340 HydrophobicContact CB-CD1 3.82Å; A273-L340 HydrophobicContact CB-CG 4.5Å; A273-F404 HydrophobicContact CB-CE1 4.14Å; A273-F404 HydrophobicContact CB-CZ 4.35Å
274Y98.1Very high93.1Very high0 Ų019.3 Ų19.30%012%0.119CC..SBendtrans-144.6170.9170.854.4-84.7000107.9Q16 K272 T276 I295 E301 I312 G313 K336 V339 L340Q16-Y274 PolarHBondContact NE2-O 3.42Å; K272-Y274 CarbonylContact C-O 3.59Å; K272-Y274 VanDerWaalsContact CB-O 3.26Å; K272-Y274 WeakPolarHBondContact CB-O 3.12Å; K272-Y274 HydrophobicContact CD-CD1 4.1Å; K272-Y274 HydrophobicContact CD-CD2 3.74Å; K272-Y274 HydrophobicContact CD-CE1 3.72Å; K272-Y274 HydrophobicContact CD-CE2 3.36Å; K272-Y274 HydrophobicContact CD-CG 4.12Å; K272-Y274 HydrophobicContact CG-CD1 3.99Å; K272-Y274 HydrophobicContact CG-CD2 4.39Å; K272-Y274 HydrophobicContact CG-CE1 3.85Å; K272-Y274 HydrophobicContact CG-CE2 4.29Å; K272-Y274 HydrophobicContact CG-CG 4.28Å; K272-Y274 PolarHBondContact O-N 3.18Å; Y274-T276 HydrophobicContact CD2-CG2 3.71Å; Y274-T276 HydrophobicContact CE2-CG2 3.46Å; Y274-T276 VanDerWaalsContact CE2-CG2 3.46Å; Y274-I295 HydrophobicContact CD1-CG2 4.07Å; Y274-I295 HydrophobicContact CD2-CG2 3.61Å; Y274-I295 HydrophobicContact CE1-CG2 3.98Å; Y274-I295 HydrophobicContact CE2-CG2 3.46Å; Y274-I295 VanDerWaalsContact CE2-CG2 3.46Å; Y274-I295 HydrophobicContact CG-CG2 3.87Å; Y274-E301 HydrophobicContact CE2-CG 4.15Å; Y274-E301 PolarHBondContact OH-OE1 3.14Å; Y274-I312 HydrophobicContact CD2-CG2 4.08Å; Y274-I312 HydrophobicContact CE2-CD1 4.35Å; Y274-G313 WeakPolarHBondContact CB-O 3.35Å; Y274-K336 HydrophobicContact CE1-CB 4Å; Y274-K336 WeakPolarHBondContact OH-CD 3.25Å; Y274-V339 HydrophobicContact CE1-CB 3.75Å; Y274-V339 HydrophobicContact CE1-CG1 3.74Å; Y274-V339 HydrophobicContact CE1-CG2 4.22Å; Y274-L340 HydrophobicContact CD1-CD2 3.98Å; Y274-L340 HydrophobicContact CD1-CG 4.44Å
275T96.9Very high93.2Very high0 Ų018 Ų180%011%0.111CC..EExtended strand (participates in β ladder)trans-99.1139.6-179-52.60000110.4Q16 W17 F283 G313 W314 D316Q16-T275 PolarHBondContact NE2-OG1 2.98Å; Q16-T275 VanDerWaalsContact NE2-OG1 3.16Å; W17-T275 HydrophobicContact CE3-CG2 3.75Å; W17-T275 HydrophobicContact CZ3-CG2 3.74Å; T275-F283 HydrophobicContact CG2-CE2 3.43Å; T275-F283 VanDerWaalsContact CG2-CE2 3.43Å; T275-F283 HydrophobicContact CG2-CZ 3.61Å; T275-G313 PolarHBondContact N-O 2.95Å; T275-G313 PolarHBondContact O-N 3.34Å; T275-W314 WeakPolarHBondContact CB-O 3.42Å; T275-W314 PolarHBondContact OG1-O 2.83Å; T275-D316 PolarHBondContact OG1-N 3.03Å
276T95Very high93.3Very high4 Ų418.7 Ų18.73%0.02511%0.105CC..EExtended strand (participates in β ladder)trans-131.1139.217455.50000111.3K272 Y274 E301 R311 I312K272-T276 HydrophobicContact CD-CG2 4Å; K272-T276 VanDerWaalsContact NZ-CG2 3.26Å; K272-T276 PolarHBondContact NZ-OG1 2.85Å; Y274-T276 HydrophobicContact CD2-CG2 3.71Å; Y274-T276 HydrophobicContact CE2-CG2 3.46Å; Y274-T276 VanDerWaalsContact CE2-CG2 3.46Å; T276-E301 HydrophobicContact CG2-CG 4.26Å; T276-R311 VanDerWaalsContact CA-O 3.3Å; T276-R311 WeakPolarHBondContact CA-O 3.5Å; T276-I312 HydrophobicContact CG2-CD1 3.66Å
277R91.4Very high93.4Very high5 Ų513.8 Ų13.82%0.0199%0.088CC..EExtended strand (participates in β ladder)trans-135.9140.4179.4-173.5174.5173.6139.812.1111W17 T239 S280 P282 F283 R310 R311W17-R277 HydrophobicContact CB-CG 4.42Å; W17-R277 HydrophobicContact CG-CG 4.19Å; T239-R277 PolarHBondContact OG1-NH1 3.33Å; T239-R277 PolarHBondContact OG1-NH2 3.02Å; R277-S280 PolarHBondContact NE-O 3.47Å; R277-S280 PolarHBondContact NH2-O 3.23Å; R277-S280 VanDerWaalsContact NH2-O 3.07Å; R277-P282 PolarHBondContact NH1-O 3.45Å; R277-F283 HydrophobicContact CB-CD1 3.95Å; R277-F283 HydrophobicContact CB-CE1 3.87Å; R277-F283 HydrophobicContact CB-CZ 4.49Å; R277-R310 CarbonylContact O-C 3.5Å; R277-R310 WeakPolarHBondContact O-CA 3.43Å; R277-R311 PolarHBondContact N-O 3.34Å; R277-R311 PolarHBondContact O-N 2.9Å
278V84.1Confident93.2Very high51 Ų5120.6 Ų20.631%0.30912%0.123SC..  trans-101.3138.5169.7174.60000108.7R308 R310V278-R308 HydrophobicContact CG1-CB 4.49Å; V278-R310 HydrophobicContact CG2-CG 3.77Å
279G79.8Confident93Very high22 Ų2223.7 Ų23.723%0.22714%0.14CC..SBendtrans84.2-166.4174.100000114.4R311G279-R311 WeakPolarHBondContact O-CD 3.26Å; G279-R311 PolarHBondContact O-NH1 3.01Å
280S79.7Confident92.8Very high51 Ų5126.2 Ų26.236%0.35717%0.166SC..SBendtrans-81174-177.650.10000112.3S132 H242 R277S132-S280 PolarHBondContact O-OG 3.09Å; H242-S280 PolarHBondContact CE1-OG 3.39Å; H242-S280 PolarHBondContact ND1-OG 2.83Å; R277-S280 PolarHBondContact NE-O 3.47Å; R277-S280 PolarHBondContact NH2-O 3.23Å; R277-S280 VanDerWaalsContact NH2-O 3.07Å
281G83.7Confident92.7Very high19 Ų1928.6 Ų28.620%0.19618%0.179CC..SBendtrans110.1167.1175.900000113.7R311G281-R311 PolarHBondContact O-NH1 2.88Å; G281-R311 PolarHBondContact O-NH2 3.03Å
282P88.5Confident92.6Very high5 Ų528.8 Ų28.83%0.03218%0.181CC..  trans-60.2135.4-174.620.9-33000112.3R277 L371 N372R277-P282 PolarHBondContact NH1-O 3.45Å; P282-L371 HydrophobicContact CB-CB 4Å; P282-L371 HydrophobicContact CB-CD2 3.51Å; P282-L371 HydrophobicContact CB-CG 3.68Å; P282-L371 HydrophobicContact CG-CB 4.29Å; P282-L371 HydrophobicContact CG-CD2 3.37Å; P282-L371 HydrophobicContact CG-CG 4.08Å; P282-N372 WeakPolarHBondContact CA-OD1 3.47Å; P282-N372 VanDerWaalsContact CB-OD1 3.31Å; P282-N372 WeakPolarHBondContact CB-OD1 3.48Å
283F93.1Very high92.6Very high14 Ų1434.8 Ų34.86%0.06121%0.209CC..  trans-142.582177.6-167.3-179.8000109.4T275 R277 S285 E286 R311 G313T275-F283 HydrophobicContact CG2-CE2 3.43Å; T275-F283 VanDerWaalsContact CG2-CE2 3.43Å; T275-F283 HydrophobicContact CG2-CZ 3.61Å; R277-F283 HydrophobicContact CB-CD1 3.95Å; R277-F283 HydrophobicContact CB-CE1 3.87Å; R277-F283 HydrophobicContact CB-CZ 4.49Å; F283-S285 VanDerWaalsContact C-N 3.28Å; F283-S285 WeakPolarHBondContact CE2-OG 3.25Å; F283-S285 PolarHBondContact O-N 3.14Å; F283-E286 HydrophobicContact CB-CB 4Å; F283-E286 HydrophobicContact CD1-CB 3.84Å; F283-E286 HydrophobicContact CD1-CG 4.04Å; F283-E286 HydrophobicContact CD2-CB 4.35Å; F283-E286 HydrophobicContact CE1-CB 4.41Å; F283-E286 HydrophobicContact CE1-CG 4.49Å; F283-E286 HydrophobicContact CG-CB 3.81Å; F283-E286 HydrophobicContact CG-CG 4.5Å; F283-E286 WeakPolarHBondContact O-CB 3.45Å; F283-E286 PolarHBondContact O-N 3.35Å; F283-R311 VanDerWaalsContact CB-NH2 3.28Å; F283-R311 HydrophobicContact CD1-CB 3.83Å; F283-R311 HydrophobicContact CE1-CB 3.8Å; F283-G313 VanDerWaalsContact CZ-N 3.34Å
284P94.5Very high92.5Very high26 Ų2638.4 Ų38.417%0.16923%0.225CC..THydrogen-bonded Turntrans-57.3-39.1-168.5-2835000114.2E286 Y352 L371 V374 V376P284-E286 VanDerWaalsContact C-N 3.28Å; P284-E286 PolarHBondContact O-N 3.47Å; P284-Y352 HydrophobicContact CB-CE1 3.9Å; P284-Y352 HydrophobicContact CG-CE1 4.37Å; P284-Y352 HydrophobicContact CG-CE2 4.27Å; P284-L371 HydrophobicContact CG-CD1 3.43Å; P284-L371 VanDerWaalsContact CG-CD1 3.43Å; P284-L371 HydrophobicContact CG-CG 3.78Å; P284-V374 HydrophobicContact CB-CG2 3.8Å; P284-V374 HydrophobicContact CG-CG2 3.98Å; P284-V376 HydrophobicContact CB-CG2 3.6Å; P284-V376 WeakPolarHBondContact O-CG2 3.36Å
285S96.3Very high92.5Very high0 Ų038.4 Ų38.40%023%0.225CC..THydrogen-bonded Turntrans-87.712.3-178.664.20000114.3F283 G313 W314 Y378F283-S285 VanDerWaalsContact C-N 3.28Å; F283-S285 WeakPolarHBondContact CE2-OG 3.25Å; F283-S285 PolarHBondContact O-N 3.14Å; S285-G313 CarbonylContact O-C 3.58Å; S285-G313 WeakPolarHBondContact O-CA 3.46Å; S285-W314 PolarHBondContact O-N 3.09Å; S285-W314 PolarHBondContact OG-O 3.47Å; S285-Y378 WeakPolarHBondContact CA-OH 2.85Å
286E96.9Very high92.4Very high51 Ų5139.2 Ų39.224%0.23823%0.228CC..BIsolated β-bridgetrans-60.5136.4-176.7-174.7168.5-146.700112.8F283 P284 L288 R311 I312F283-E286 HydrophobicContact CB-CB 4Å; F283-E286 HydrophobicContact CD1-CB 3.84Å; F283-E286 HydrophobicContact CD1-CG 4.04Å; F283-E286 HydrophobicContact CD2-CB 4.35Å; F283-E286 HydrophobicContact CE1-CB 4.41Å; F283-E286 HydrophobicContact CE1-CG 4.49Å; F283-E286 HydrophobicContact CG-CB 3.81Å; F283-E286 HydrophobicContact CG-CG 4.5Å; F283-E286 WeakPolarHBondContact O-CB 3.45Å; F283-E286 PolarHBondContact O-N 3.35Å; P284-E286 VanDerWaalsContact C-N 3.28Å; P284-E286 PolarHBondContact O-N 3.47Å; E286-L288 HydrophobicContact CG-CD2 3.81Å; E286-L288 HydrophobicContact CG-CG 4.26Å; E286-R311 VanDerWaalsContact CD-NE 3.34Å; E286-R311 WeakPolarHBondContact OE1-CB 3.37Å; E286-R311 VanDerWaalsContact OE1-CG 3.31Å; E286-R311 WeakPolarHBondContact OE1-CG 3.46Å; E286-R311 IonicContact OE1-CZ 3.35Å; E286-R311 IonicContact OE1-NE 3.57Å; E286-R311 PolarHBondContact OE1-NE 2.84Å; E286-R311 IonicContact OE1-NH2 2.91Å; E286-R311 IonicContact OE2-CZ 2.63Å; E286-R311 IonicContact OE2-NE 2.77Å; E286-R311 PolarHBondContact OE2-NE 2.91Å; E286-R311 IonicContact OE2-NH2 2.75Å; E286-R311 PolarHBondContact OE2-NH2 2.53Å; E286-I312 WeakPolarHBondContact CA-O 3.32Å
287L97Very high92.4Very high20 Ų2047.1 Ų47.111%0.10526%0.262CS..  trans-95.6106.6174.9-74.2171.9000109.4I291 G292 I295 I312 W314L287-I291 HydrophobicContact CD1-CG2 4.08Å; L287-G292 VanDerWaalsContact CB-CA 3.49Å; L287-I295 HydrophobicContact CD1-CD1 3.97Å; L287-I312 HydrophobicContact CD1-CG2 4.32Å; L287-I312 PolarHBondContact N-O 3.35Å; L287-W314 HydrophobicContact CD1-CD2 4.11Å; L287-W314 HydrophobicContact CD1-CG 4.45Å; L287-W314 HydrophobicContact CD1-CZ2 4.2Å; L287-W314 HydrophobicContact CD2-CD2 4.46Å; L287-W314 HydrophobicContact CD2-CG 4.45Å; L287-W314 HydrophobicContact CD2-CZ2 4.16Å
288L94.1Very high92.6Very high150 Ų15051.7 Ų51.779%0.78528%0.282SS*.  trans-977.1176.4-59.3177.8000112.8E286E286-L288 HydrophobicContact CG-CD2 3.81Å; E286-L288 HydrophobicContact CG-CG 4.26Å
289D92.7Very high93.1Very high78 Ų7849.6 Ų49.642%0.41727%0.271SS..SBendtrans-101.7-175.7179.664.511.6000112I291 G292D289-I291 PolarHBondContact O-N 2.77Å; D289-I291 WeakPolarHBondContact OD1-CB 3.41Å; D289-I291 PolarHBondContact OD1-N 2.81Å; D289-G292 PolarHBondContact O-N 3.47Å; D289-G292 PolarHBondContact OD1-N 2.81Å
290G95.2Very high93.7Very high53 Ų5352.9 Ų52.955%0.54629%0.289SS..Hα-helixtrans-64.2-19.6178.500000114.4F294G290-F294 WeakPolarHBondContact O-CB 3.32Å; G290-F294 PolarHBondContact O-N 3.44Å
291I96.8Very high94.3Very high50 Ų5050.5 Ų50.526%0.25627%0.272SS..Hα-helixtrans-71.1-41.3177.6-57.8175.9000109.6L287 D289 E293 F294 I295 W314 L343L287-I291 HydrophobicContact CD1-CG2 4.08Å; D289-I291 PolarHBondContact O-N 2.77Å; D289-I291 WeakPolarHBondContact OD1-CB 3.41Å; D289-I291 PolarHBondContact OD1-N 2.81Å; I291-E293 VanDerWaalsContact C-N 3.3Å; I291-E293 PolarHBondContact O-N 2.88Å; I291-F294 WeakPolarHBondContact O-CB 3.39Å; I291-F294 PolarHBondContact O-N 2.89Å; I291-I295 HydrophobicContact CG2-CD1 3.89Å; I291-I295 HydrophobicContact CG2-CG1 4.34Å; I291-I295 WeakPolarHBondContact O-CG1 3.25Å; I291-I295 PolarHBondContact O-N 3.33Å; I291-W314 HydrophobicContact CD1-CZ2 4.34Å; I291-W314 HydrophobicContact CG2-CH2 3.92Å; I291-W314 HydrophobicContact CG2-CZ2 4.01Å; I291-L343 HydrophobicContact CG2-CD2 4.19Å
292G96.8Very high94.6Very high4 Ų456.2 Ų56.24%0.04129%0.288CS..Hα-helixtrans-56.4-44.9174.800000112.1L287 D289 Q296 I312L287-G292 VanDerWaalsContact CB-CA 3.49Å; D289-G292 PolarHBondContact O-N 3.47Å; D289-G292 PolarHBondContact OD1-N 2.81Å; G292-Q296 VanDerWaalsContact O-CB 3.26Å; G292-Q296 WeakPolarHBondContact O-CB 3.45Å; G292-Q296 PolarHBondContact O-N 2.85Å; G292-I312 WeakPolarHBondContact O-CG1 3.47Å
293E96.1Very high94.5Very high127 Ų12756.2 Ų56.259%0.59329%0.29SS*.Hα-helixtrans-67-39.7176.3-61.9-166.7151.200113I291 Q296 K297I291-E293 VanDerWaalsContact C-N 3.3Å; I291-E293 PolarHBondContact O-N 2.88Å; E293-Q296 PolarHBondContact O-N 3.14Å; E293-K297 WeakPolarHBondContact O-CB 3.37Å; E293-K297 PolarHBondContact O-N 2.97Å
294F96.9Very high93.9Very high77 Ų7756.9 Ų56.934%0.33830%0.295SS..Hα-helixtrans-58.2-53.5175.6173.6-92.1000111.4G290 I291 Q296 K297 K298 D342 L343G290-F294 WeakPolarHBondContact O-CB 3.32Å; G290-F294 PolarHBondContact O-N 3.44Å; I291-F294 WeakPolarHBondContact O-CB 3.39Å; I291-F294 PolarHBondContact O-N 2.89Å; F294-Q296 VanDerWaalsContact C-N 3.33Å; F294-Q296 PolarHBondContact O-N 3.16Å; F294-K297 PolarHBondContact O-N 3.35Å; F294-K298 HydrophobicContact CZ-CD 4.48Å; F294-K298 WeakPolarHBondContact O-CB 3.25Å; F294-K298 PolarHBondContact O-N 3.4Å; F294-D342 HydrophobicContact CZ-CB 3.85Å; F294-L343 HydrophobicContact CD1-CD2 3.76Å; F294-L343 HydrophobicContact CE1-CD2 3.81Å; F294-L343 HydrophobicContact CE1-CG 4.35Å
295I97.2Very high93.3Very high0 Ų057.6 Ų57.60%030%0.298CS..Hα-helixtrans-62.7-42.2179.4-67.1172.9000110.3Y274 L287 I291 K297 K298 G299 I312 W314 V339 L340 L343Y274-I295 HydrophobicContact CD1-CG2 4.07Å; Y274-I295 HydrophobicContact CD2-CG2 3.61Å; Y274-I295 HydrophobicContact CE1-CG2 3.98Å; Y274-I295 HydrophobicContact CE2-CG2 3.46Å; Y274-I295 VanDerWaalsContact CE2-CG2 3.46Å; Y274-I295 HydrophobicContact CG-CG2 3.87Å; L287-I295 HydrophobicContact CD1-CD1 3.97Å; I291-I295 HydrophobicContact CG2-CD1 3.89Å; I291-I295 HydrophobicContact CG2-CG1 4.34Å; I291-I295 WeakPolarHBondContact O-CG1 3.25Å; I291-I295 PolarHBondContact O-N 3.33Å; I295-K297 VanDerWaalsContact C-N 3.32Å; I295-K297 PolarHBondContact O-N 2.88Å; I295-K298 PolarHBondContact O-N 3.07Å; I295-G299 PolarHBondContact O-N 3.5Å; I295-I312 HydrophobicContact CB-CG2 3.94Å; I295-I312 HydrophobicContact CD1-CG2 4.42Å; I295-I312 HydrophobicContact CG2-CG2 3.61Å; I295-W314 HydrophobicContact CD1-CZ3 4.34Å; I295-V339 HydrophobicContact CG2-CG1 3.91Å; I295-L340 HydrophobicContact CD1-CD2 3.89Å; I295-L340 HydrophobicContact CG1-CD2 4.21Å; I295-L343 HydrophobicContact CD1-CD1 4.19Å; I295-L343 HydrophobicContact CG1-CD1 4.42Å
296Q95.1Very high92.5Very high17 Ų1759.5 Ų59.58%0.07931%0.31CS..Hα-helixtrans-56.8-46.4178.2-168.8-80.5-39.600111.8G292 E293 F294 C300 E301 K309 I312G292-Q296 VanDerWaalsContact O-CB 3.26Å; G292-Q296 WeakPolarHBondContact O-CB 3.45Å; G292-Q296 PolarHBondContact O-N 2.85Å; E293-Q296 PolarHBondContact O-N 3.14Å; F294-Q296 VanDerWaalsContact C-N 3.33Å; F294-Q296 PolarHBondContact O-N 3.16Å; Q296-C300 PolarHBondContact O-N 2.98Å; Q296-E301 HydrophobicContact CG-CB 4.05Å; Q296-E301 PolarHBondContact NE2-O 3.41Å; Q296-E301 VanDerWaalsContact NE2-O 3.1Å; Q296-E301 PolarHBondContact O-N 3.29Å; Q296-K309 VanDerWaalsContact CD-CE 3.49Å; Q296-K309 HydrophobicContact CG-CD 4.43Å; Q296-K309 HydrophobicContact CG-CG 4.08Å; Q296-I312 HydrophobicContact CB-CD1 4.05Å; Q296-I312 HydrophobicContact CB-CG1 3.59Å; Q296-I312 HydrophobicContact CG-CD1 4.2Å; Q296-I312 HydrophobicContact CG-CG1 4.07Å
297K95.5Very high91.9Very high170 Ų17064 Ų6474%0.73933%0.329SS*.Hα-helixtrans-70-49.2-179.4-175.3179.6179.3-178.50111.2E293 F294 I295 G299 C300E293-K297 WeakPolarHBondContact O-CB 3.37Å; E293-K297 PolarHBondContact O-N 2.97Å; F294-K297 PolarHBondContact O-N 3.35Å; I295-K297 VanDerWaalsContact C-N 3.32Å; I295-K297 PolarHBondContact O-N 2.88Å; K297-G299 VanDerWaalsContact C-N 3.33Å; K297-G299 PolarHBondContact O-N 2.75Å; K297-C300 PolarHBondContact O-N 3.42Å
298K95.2Very high91.5Very high101 Ų10167.2 Ų67.244%0.43934%0.34SS..Hα-helixtrans-62-39.5-179.1-174.585.3-179.8-156.20111.7F294 I295 C300 V339 D342F294-K298 HydrophobicContact CZ-CD 4.48Å; F294-K298 WeakPolarHBondContact O-CB 3.25Å; F294-K298 PolarHBondContact O-N 3.4Å; I295-K298 PolarHBondContact O-N 3.07Å; K298-C300 VanDerWaalsContact C-N 3.35Å; K298-V339 HydrophobicContact CB-CG1 4.01Å; K298-V339 HydrophobicContact CG-CB 4.47Å; K298-V339 HydrophobicContact CG-CG1 4Å; K298-D342 IonicContact NZ-OD2 2.91Å; K298-D342 PolarHBondContact NZ-OD2 3.31Å
299G93.8Very high91.3Very high6 Ų665 Ų656%0.06232%0.324CS..THydrogen-bonded Turntrans-83.4-0.9179.500000115.9I295 K297 E301 K336I295-G299 PolarHBondContact O-N 3.5Å; K297-G299 VanDerWaalsContact C-N 3.33Å; K297-G299 PolarHBondContact O-N 2.75Å; G299-E301 PolarHBondContact O-N 3.23Å; G299-K336 PolarHBondContact O-NZ 2.73Å
300C92.8Very high91.4Very high92 Ų9262.1 Ų62.162%0.62231%0.307SS*.THydrogen-bonded Turntrans51.549.7-174.5-65.60000112.9Q296 K297 K298 W302Q296-C300 PolarHBondContact O-N 2.98Å; K297-C300 PolarHBondContact O-N 3.42Å; K298-C300 VanDerWaalsContact C-N 3.35Å; C300-W302 PolarHBondContact O-N 3.04Å
301E93.3Very high91.4Very high0 Ų062.5 Ų62.50%029%0.292CS..  trans-82.979.9-165-67.9-62.7168.900113.6K272 Y274 T276 Q296 G299 R310 I312 K336K272-E301 IonicContact NZ-OE1 2.68Å; K272-E301 PolarHBondContact NZ-OE1 2.75Å; K272-E301 IonicContact NZ-OE2 2.77Å; K272-E301 PolarHBondContact NZ-OE2 2.91Å; Y274-E301 HydrophobicContact CE2-CG 4.15Å; Y274-E301 PolarHBondContact OH-OE1 3.14Å; T276-E301 HydrophobicContact CG2-CG 4.26Å; Q296-E301 HydrophobicContact CG-CB 4.05Å; Q296-E301 PolarHBondContact NE2-O 3.41Å; Q296-E301 VanDerWaalsContact NE2-O 3.1Å; Q296-E301 PolarHBondContact O-N 3.29Å; G299-E301 PolarHBondContact O-N 3.23Å; E301-R310 HydrophobicContact CB-CB 4.16Å; E301-R310 HydrophobicContact CB-CG 4.44Å; E301-R310 PolarHBondContact O-N 2.87Å; E301-R310 WeakPolarHBondContact OE2-CD 3.44Å; E301-R310 IonicContact OE2-CZ 3.39Å; E301-R310 IonicContact OE2-NE 3.06Å; E301-R310 IonicContact OE2-NH1 2.73Å; E301-R310 PolarHBondContact OE2-NH1 3.37Å; E301-I312 HydrophobicContact CB-CD1 3.83Å; E301-I312 HydrophobicContact CG-CD1 3.82Å; E301-K336 IonicContact OE1-NZ 3.08Å; E301-K336 PolarHBondContact OE1-NZ 3.23Å; E301-K336 IonicContact OE2-NZ 3.93Å
302W89.8Confident91.4Very high139 Ų13960.4 Ų60.453%0.52728%0.281SS..BIsolated β-bridgetrans-127.1132.7179.1-62.394.2000112.3C300 V304 K309 R310C300-W302 PolarHBondContact O-N 3.04Å; W302-V304 PolarHBondContact O-N 3.43Å; W302-K309 HydrophobicContact CE3-CB 4.25Å; W302-K309 HydrophobicContact CH2-CB 4.3Å; W302-K309 HydrophobicContact CZ3-CB 3.89Å; W302-R310 VanDerWaalsContact N-NH1 3.16Å; W302-R310 PolarHBondContact O-NH1 2.82Å; W302-R310 VanDerWaalsContact O-NH1 3.12Å; W302-R310 PolarHBondContact O-NH2 3.31Å
303G84.7Confident91.4Very high6 Ų660.2 Ų60.26%0.06228%0.279CS..  trans-62.5127.517800000112.7K307 R308G303-K307 WeakPolarHBondContact O-CA 3.42Å; G303-K307 PolarHBondContact O-N 3.24Å; G303-R308 PolarHBondContact N-O 3.07Å
304V82Confident91.5Very high28 Ų2854.6 Ų54.617%0.1725%0.253CS..THydrogen-bonded Turntrans-61.2-50.3-177.7178.20000111.8F57 W302 K307F57-V304 HydrophobicContact CD1-CG1 3.69Å; F57-V304 HydrophobicContact CE1-CG1 4.34Å; F57-V304 HydrophobicContact CG-CG1 4.42Å; W302-V304 PolarHBondContact O-N 3.43Å; V304-K307 VanDerWaalsContact O-CE 3.27Å; V304-K307 WeakPolarHBondContact O-CE 3.35Å; V304-K307 PolarHBondContact O-NZ 2.77Å
305T80.9Confident91.6Very high40 Ų4051 Ų5125%0.24524%0.237CC..THydrogen-bonded Turntrans-78.9-41.4-177.1-47.50000112.9H59 T136H59-T305 PolarHBondContact CE1-OG1 3.21Å; T136-T305 HydrophobicContact CG2-CG2 4.37Å
306T79.9Confident91.6Very high41 Ų4151 Ų5125%0.25224%0.237SC..THydrogen-bonded Turntrans-96.7-14.3-171.764.30000113.9T136 R308T136-T306 HydrophobicContact CG2-CG2 3.98Å; T306-R308 PolarHBondContact O-N 3.23Å; T306-R308 PolarHBondContact OG1-NE 2.85Å
307K85Confident91.8Very high144 Ų14450.2 Ų50.263%0.62623%0.233SC*.  trans56.312.6-173-51.7-57.3-174.7-166.50114.7G303 V304G303-K307 WeakPolarHBondContact O-CA 3.42Å; G303-K307 PolarHBondContact O-N 3.24Å; V304-K307 VanDerWaalsContact O-CE 3.27Å; V304-K307 WeakPolarHBondContact O-CE 3.35Å; V304-K307 PolarHBondContact O-NZ 2.77Å
308R87.5Confident91.9Very high89 Ų8942.2 Ų42.234%0.33620%0.199SC..PPolyproline II helixtrans-77.7145.8177.3-66.9-175.4-69.3177.3-7.9111.5G134 V278 G303 T306G134-R308 PolarHBondContact O-NH2 3.39Å; V278-R308 HydrophobicContact CG1-CB 4.49Å; G303-R308 PolarHBondContact N-O 3.07Å; T306-R308 PolarHBondContact O-N 3.23Å; T306-R308 PolarHBondContact OG1-NE 2.85Å
309K90.8Very high92Very high103 Ų10337.4 Ų37.445%0.44818%0.178SC..BIsolated β-bridgetrans-60134.2170.2-173.6178.1-179.4-175.40109.3Q296 W302Q296-K309 VanDerWaalsContact CD-CE 3.49Å; Q296-K309 HydrophobicContact CG-CD 4.43Å; Q296-K309 HydrophobicContact CG-CG 4.08Å; W302-K309 HydrophobicContact CE3-CB 4.25Å; W302-K309 HydrophobicContact CH2-CB 4.3Å; W302-K309 HydrophobicContact CZ3-CB 3.89Å
310R94.2Very high92.2Very high17 Ų1737.1 Ų37.16%0.06418%0.175CC..PPolyproline II helixtrans-84.3139.8172.5-52.3-167.8-179.4102.5-1.8109.9D19 R277 V278 E301 W302D19-R310 IonicContact OD1-CZ 2.95Å; D19-R310 IonicContact OD1-NE 2.87Å; D19-R310 IonicContact OD1-NH1 3.03Å; D19-R310 IonicContact OD1-NH2 2.63Å; D19-R310 PolarHBondContact OD1-NH2 3.41Å; D19-R310 WeakPolarHBondContact OD2-CD 3.34Å; D19-R310 IonicContact OD2-CZ 3.57Å; D19-R310 IonicContact OD2-NE 3.28Å; D19-R310 PolarHBondContact OD2-NE 2.83Å; D19-R310 VanDerWaalsContact OD2-NE 3.08Å; D19-R310 IonicContact OD2-NH1 3.35Å; D19-R310 PolarHBondContact OD2-NH1 3.39Å; D19-R310 IonicContact OD2-NH2 2.71Å; R277-R310 CarbonylContact O-C 3.5Å; R277-R310 WeakPolarHBondContact O-CA 3.43Å; V278-R310 HydrophobicContact CG2-CG 3.77Å; E301-R310 HydrophobicContact CB-CB 4.16Å; E301-R310 HydrophobicContact CB-CG 4.44Å; E301-R310 PolarHBondContact O-N 2.87Å; E301-R310 WeakPolarHBondContact OE2-CD 3.44Å; E301-R310 IonicContact OE2-CZ 3.39Å; E301-R310 IonicContact OE2-NE 3.06Å; E301-R310 IonicContact OE2-NH1 2.73Å; E301-R310 PolarHBondContact OE2-NH1 3.37Å; W302-R310 VanDerWaalsContact N-NH1 3.16Å; W302-R310 PolarHBondContact O-NH1 2.82Å; W302-R310 VanDerWaalsContact O-NH1 3.12Å; W302-R310 PolarHBondContact O-NH2 3.31Å
311R94.3Very high92.5Very high61 Ų6135.9 Ų35.923%0.2316%0.157CC..EExtended strand (participates in β ladder)trans-70.8144.5165.9-66.2163.966.9-164.33.1108.4T276 R277 G279 G281 F283 E286T276-R311 VanDerWaalsContact CA-O 3.3Å; T276-R311 WeakPolarHBondContact CA-O 3.5Å; R277-R311 PolarHBondContact N-O 3.34Å; R277-R311 PolarHBondContact O-N 2.9Å; G279-R311 WeakPolarHBondContact O-CD 3.26Å; G279-R311 PolarHBondContact O-NH1 3.01Å; G281-R311 PolarHBondContact O-NH1 2.88Å; G281-R311 PolarHBondContact O-NH2 3.03Å; F283-R311 VanDerWaalsContact CB-NH2 3.28Å; F283-R311 HydrophobicContact CD1-CB 3.83Å; F283-R311 HydrophobicContact CE1-CB 3.8Å; E286-R311 VanDerWaalsContact CD-NE 3.34Å; E286-R311 WeakPolarHBondContact OE1-CB 3.37Å; E286-R311 VanDerWaalsContact OE1-CG 3.31Å; E286-R311 WeakPolarHBondContact OE1-CG 3.46Å; E286-R311 IonicContact OE1-CZ 3.35Å; E286-R311 IonicContact OE1-NE 3.57Å; E286-R311 PolarHBondContact OE1-NE 2.84Å; E286-R311 IonicContact OE1-NH2 2.91Å; E286-R311 IonicContact OE2-CZ 2.63Å; E286-R311 IonicContact OE2-NE 2.77Å; E286-R311 PolarHBondContact OE2-NE 2.91Å; E286-R311 IonicContact OE2-NH2 2.75Å; E286-R311 PolarHBondContact OE2-NH2 2.53Å
312I97.2Very high92.7Very high7 Ų738 Ų384%0.03617%0.166CC..EExtended strand (participates in β ladder)trans-117.5141.1-176.3-53.1-54.5000109.2Y274 T276 E286 L287 G292 I295 Q296 E301Y274-I312 HydrophobicContact CD2-CG2 4.08Å; Y274-I312 HydrophobicContact CE2-CD1 4.35Å; T276-I312 HydrophobicContact CG2-CD1 3.66Å; E286-I312 WeakPolarHBondContact CA-O 3.32Å; L287-I312 HydrophobicContact CD1-CG2 4.32Å; L287-I312 PolarHBondContact N-O 3.35Å; G292-I312 WeakPolarHBondContact O-CG1 3.47Å; I295-I312 HydrophobicContact CB-CG2 3.94Å; I295-I312 HydrophobicContact CD1-CG2 4.42Å; I295-I312 HydrophobicContact CG2-CG2 3.61Å; Q296-I312 HydrophobicContact CB-CD1 4.05Å; Q296-I312 HydrophobicContact CB-CG1 3.59Å; Q296-I312 HydrophobicContact CG-CD1 4.2Å; Q296-I312 HydrophobicContact CG-CG1 4.07Å; E301-I312 HydrophobicContact CB-CD1 3.83Å; E301-I312 HydrophobicContact CG-CD1 3.82Å
313G97.6Very high93.1Very high0 Ų031.4 Ų31.40%014%0.14CC..EExtended strand (participates in β ladder)trans-144.9168170.500000111.2Y274 T275 F283 S285Y274-G313 WeakPolarHBondContact CB-O 3.35Å; T275-G313 PolarHBondContact N-O 2.95Å; T275-G313 PolarHBondContact O-N 3.34Å; F283-G313 VanDerWaalsContact CZ-N 3.34Å; S285-G313 CarbonylContact O-C 3.58Å; S285-G313 WeakPolarHBondContact O-CA 3.46Å
314W98.3Very high93.8Very high9 Ų933.2 Ų33.23%0.03415%0.147CC..  trans-61.9163173.6-71.4118.2000112T275 S285 L287 I291 I295 D316 L343 V346 K347 Y378T275-W314 WeakPolarHBondContact CB-O 3.42Å; T275-W314 PolarHBondContact OG1-O 2.83Å; S285-W314 PolarHBondContact O-N 3.09Å; S285-W314 PolarHBondContact OG-O 3.47Å; L287-W314 HydrophobicContact CD1-CD2 4.11Å; L287-W314 HydrophobicContact CD1-CG 4.45Å; L287-W314 HydrophobicContact CD1-CZ2 4.2Å; L287-W314 HydrophobicContact CD2-CD2 4.46Å; L287-W314 HydrophobicContact CD2-CG 4.45Å; L287-W314 HydrophobicContact CD2-CZ2 4.16Å; I291-W314 HydrophobicContact CD1-CZ2 4.34Å; I291-W314 HydrophobicContact CG2-CH2 3.92Å; I291-W314 HydrophobicContact CG2-CZ2 4.01Å; I295-W314 HydrophobicContact CD1-CZ3 4.34Å; W314-D316 PolarHBondContact O-N 3.08Å; W314-L343 HydrophobicContact CH2-CD1 4.12Å; W314-L343 HydrophobicContact CZ3-CD1 4.19Å; W314-V346 HydrophobicContact CZ3-CB 4.28Å; W314-V346 HydrophobicContact CZ3-CG1 4.5Å; W314-K347 WeakPolarHBondContact CB-O 3.27Å; W314-K347 HydrophobicContact CD2-CB 3.73Å; W314-K347 HydrophobicContact CE3-CB 4.27Å; W314-K347 HydrophobicContact CG-CB 3.84Å; W314-K347 HydrophobicContact CZ2-CB 4.4Å; W314-K347 HydrophobicContact CZ2-CG 4.47Å; W314-Y378 HydrophobicContact CB-CE1 3.92Å; W314-Y378 AromaticContact CD1-CE1 3.64Å; W314-Y378 HydrophobicContact CG-CE1 4.07Å
315L98.5Very high94.5Very high0 Ų037.9 Ų37.90%017%0.17CC..EExtended strand (participates in β ladder)trans-58.2126.6172.4-179.862.8000109.4K272 I320 I348 A349 F404 V408K272-L315 VanDerWaalsContact O-CD1 3.28Å; K272-L315 WeakPolarHBondContact O-CD1 3.39Å; L315-I320 HydrophobicContact CD1-CD1 3.58Å; L315-I320 HydrophobicContact CG-CD1 4.34Å; L315-I348 HydrophobicContact CB-CG2 4.49Å; L315-I348 HydrophobicContact CD2-CG1 4.4Å; L315-I348 HydrophobicContact CD2-CG2 4.35Å; L315-I348 HydrophobicContact CG-CG2 4.41Å; L315-I348 CarbonylContact O-C 3.47Å; L315-I348 WeakPolarHBondContact O-CA 2.91Å; L315-A349 PolarHBondContact O-N 3.12Å; L315-F404 HydrophobicContact CB-CZ 4.49Å; L315-F404 HydrophobicContact CD2-CE1 4.38Å; L315-F404 HydrophobicContact CD2-CE2 4.47Å; L315-F404 HydrophobicContact CD2-CZ 3.75Å; L315-V408 HydrophobicContact CD2-CB 4.36Å; L315-V408 HydrophobicContact CD2-CG1 4.01Å; L315-V408 HydrophobicContact CD2-CG2 3.32Å
316D98Very high95.3Very high1 Ų137.8 Ų37.81%0.00517%0.167CC..EExtended strand (participates in β ladder)trans-111.8101.9-177-162.2-45.4000111.6T275 W314 V318 V319 I320 A349 Y352T275-D316 PolarHBondContact OG1-N 3.03Å; W314-D316 PolarHBondContact O-N 3.08Å; D316-V318 VanDerWaalsContact C-N 3.34Å; D316-V318 WeakPolarHBondContact OD1-CA 3.4Å; D316-V318 VanDerWaalsContact OD1-CB 3.29Å; D316-V318 WeakPolarHBondContact OD1-CB 3.44Å; D316-V318 PolarHBondContact OD1-N 2.94Å; D316-V319 HydrophobicContact CB-CB 4.17Å; D316-V319 HydrophobicContact CB-CG2 3.92Å; D316-V319 PolarHBondContact OD1-N 3.38Å; D316-V319 VanDerWaalsContact OD1-N 3.09Å; D316-I320 WeakPolarHBondContact O-CD1 3.38Å; D316-I320 VanDerWaalsContact O-CG1 3.29Å; D316-I320 WeakPolarHBondContact O-CG1 3.34Å; D316-I320 PolarHBondContact O-N 2.79Å; D316-A349 HydrophobicContact CB-CB 4.27Å; D316-Y352 PolarHBondContact OD1-OH 2.79Å; D316-Y352 WeakPolarHBondContact OD2-CE1 3.32Å; D316-Y352 PolarHBondContact OD2-OH 2.9Å
317T98.3Very high96.2Very high0 Ų036 Ų360%016%0.156CC..Hα-helixtrans-78.2-18.7179.759.80000112.6V319 I320 R321 I348 A349 K350 L411 L412T317-V319 VanDerWaalsContact C-N 3.35Å; T317-I320 PolarHBondContact O-N 3.14Å; T317-R321 WeakPolarHBondContact O-CB 3.27Å; T317-R321 VanDerWaalsContact O-CG 3.27Å; T317-R321 WeakPolarHBondContact O-CG 2.85Å; T317-R321 PolarHBondContact O-N 2.89Å; T317-R321 PolarHBondContact O-NH1 3.16Å; T317-R321 PolarHBondContact OG1-NH1 3.32Å; T317-R321 VanDerWaalsContact OG1-NH1 3.15Å; T317-I348 HydrophobicContact CG2-CG2 3.48Å; T317-I348 VanDerWaalsContact CG2-CG2 3.48Å; T317-A349 PolarHBondContact N-O 2.8Å; T317-A349 PolarHBondContact OG1-O 2.92Å; T317-K350 WeakPolarHBondContact OG1-CA 3.3Å; T317-L411 HydrophobicContact CG2-CB 4.21Å; T317-L411 HydrophobicContact CG2-CD1 4.25Å; T317-L412 HydrophobicContact CG2-CD2 3.91Å; T317-L412 HydrophobicContact CG2-CG 4.16Å
318V98.1Very high96.8Very high2 Ų234.5 Ų34.51%0.01216%0.155CC..Hα-helixtrans-64.2-46172.4-173.70000109.3D316 R321 Y322 Y352D316-V318 VanDerWaalsContact C-N 3.34Å; D316-V318 WeakPolarHBondContact OD1-CA 3.4Å; D316-V318 VanDerWaalsContact OD1-CB 3.29Å; D316-V318 WeakPolarHBondContact OD1-CB 3.44Å; D316-V318 PolarHBondContact OD1-N 2.94Å; V318-R321 PolarHBondContact O-N 3.42Å; V318-Y322 WeakPolarHBondContact O-CB 3.28Å; V318-Y322 PolarHBondContact O-N 2.91Å; V318-Y322 VanDerWaalsContact O-N 3.07Å; V318-Y352 HydrophobicContact CB-CD2 4.3Å; V318-Y352 HydrophobicContact CB-CE1 4.17Å; V318-Y352 HydrophobicContact CB-CE2 3.98Å; V318-Y352 HydrophobicContact CG1-CD2 3.75Å; V318-Y352 HydrophobicContact CG1-CE2 3.7Å; V318-Y352 HydrophobicContact CG1-CG 4.27Å; V318-Y352 HydrophobicContact CG2-CD1 3.94Å; V318-Y352 HydrophobicContact CG2-CD2 4.42Å; V318-Y352 HydrophobicContact CG2-CE1 3.92Å; V318-Y352 HydrophobicContact CG2-CE2 4.43Å; V318-Y352 HydrophobicContact CG2-CG 4.18Å
319V97.5Very high97.3Very high0 Ų030.6 Ų30.60%014%0.141CC..Hα-helixtrans-59.5-47.1174.3173.90000111.4W17 M232 D316 T317 Y322 A323 F364W17-V319 HydrophobicContact CH2-CB 4.48Å; W17-V319 HydrophobicContact CH2-CG1 4.05Å; W17-V319 HydrophobicContact CH2-CG2 3.55Å; W17-V319 HydrophobicContact CZ3-CB 4.37Å; W17-V319 HydrophobicContact CZ3-CG1 3.79Å; W17-V319 HydrophobicContact CZ3-CG2 3.77Å; M232-V319 HydrophobicContact CG-CG1 3.54Å; M232-V319 HydrophobicContact SD-CG1 3.87Å; D316-V319 HydrophobicContact CB-CB 4.17Å; D316-V319 HydrophobicContact CB-CG2 3.92Å; D316-V319 PolarHBondContact OD1-N 3.38Å; D316-V319 VanDerWaalsContact OD1-N 3.09Å; T317-V319 VanDerWaalsContact C-N 3.35Å; V319-Y322 PolarHBondContact O-N 2.96Å; V319-A323 PolarHBondContact O-N 3.24Å; V319-F364 HydrophobicContact CG2-CD2 3.67Å; V319-F364 HydrophobicContact CG2-CE2 3.56Å
320I98.4Very high97.7Very high0 Ų029.3 Ų29.30%014%0.139CC..Hα-helixtrans-70.2-37.9-176.2-60.7160000111.5A15 Q16 I271 L315 D316 T317 Y322 A323 H324 L332 L412A15-I320 HydrophobicContact CB-CG2 4.29Å; Q16-I320 HydrophobicContact CG-CG1 4.39Å; I271-I320 HydrophobicContact CB-CD1 4.24Å; I271-I320 HydrophobicContact CD1-CD1 4.08Å; I271-I320 HydrophobicContact CG2-CD1 3.74Å; I271-I320 HydrophobicContact CG2-CG1 3.83Å; I271-I320 HydrophobicContact CG2-CG2 4.15Å; L315-I320 HydrophobicContact CD1-CD1 3.58Å; L315-I320 HydrophobicContact CG-CD1 4.34Å; D316-I320 WeakPolarHBondContact O-CD1 3.38Å; D316-I320 VanDerWaalsContact O-CG1 3.29Å; D316-I320 WeakPolarHBondContact O-CG1 3.34Å; D316-I320 PolarHBondContact O-N 2.79Å; T317-I320 PolarHBondContact O-N 3.14Å; I320-Y322 VanDerWaalsContact C-N 3.34Å; I320-A323 PolarHBondContact O-N 2.88Å; I320-H324 WeakPolarHBondContact O-CB 3.45Å; I320-H324 PolarHBondContact O-N 3.06Å; I320-L332 HydrophobicContact CG2-CD1 4.46Å; I320-L412 HydrophobicContact CB-CD1 4.29Å; I320-L412 HydrophobicContact CB-CD2 3.84Å; I320-L412 HydrophobicContact CD1-CD1 4.42Å; I320-L412 HydrophobicContact CG2-CD1 3.62Å; I320-L412 HydrophobicContact CG2-CD2 3.77Å; I320-L412 HydrophobicContact CG2-CG 4.35Å
321R98.3Very high97.9Very high66 Ų6628.8 Ų28.825%0.24914%0.138CC..Hα-helixtrans-61.5-43.2173-75.4-167.8-54.4-88.36.1111.3T317 V318 H324 I325 K350 L412T317-R321 WeakPolarHBondContact O-CB 3.27Å; T317-R321 VanDerWaalsContact O-CG 3.27Å; T317-R321 WeakPolarHBondContact O-CG 2.85Å; T317-R321 PolarHBondContact O-N 2.89Å; T317-R321 PolarHBondContact O-NH1 3.16Å; T317-R321 PolarHBondContact OG1-NH1 3.32Å; T317-R321 VanDerWaalsContact OG1-NH1 3.15Å; V318-R321 PolarHBondContact O-N 3.42Å; R321-H324 WeakPolarHBondContact O-CB 3.41Å; R321-H324 PolarHBondContact O-N 3.24Å; R321-H324 VanDerWaalsContact O-N 3.17Å; R321-I325 WeakPolarHBondContact O-CG1 3.34Å; R321-I325 PolarHBondContact O-N 2.74Å; R321-K350 PolarHBondContact NH1-O 2.98Å; R321-K350 VanDerWaalsContact NH1-O 3.13Å; R321-K350 PolarHBondContact NH2-O 2.69Å; R321-L412 HydrophobicContact CG-CD2 3.72Å
322Y98Very high98.1Very high46 Ų4625.9 Ų25.918%0.1813%0.127CC..Hα-helixtrans-61.1-46.3174.9174.6-105.4000112M232 F237 V318 V319 I320 H324 I325 I326 F364M232-Y322 HydrophobicContact CE-CD1 4.39Å; M232-Y322 HydrophobicContact CE-CE1 4.39Å; M232-Y322 HydrophobicContact SD-CD1 3.89Å; M232-Y322 HydrophobicContact SD-CE1 4.13Å; F237-Y322 HydrophobicContact CB-CE1 4.49Å; F237-Y322 WeakPolarHBondContact O-CE1 3.44Å; F237-Y322 PolarHBondContact O-OH 2.79Å; V318-Y322 WeakPolarHBondContact O-CB 3.28Å; V318-Y322 PolarHBondContact O-N 2.91Å; V318-Y322 VanDerWaalsContact O-N 3.07Å; V319-Y322 PolarHBondContact O-N 2.96Å; I320-Y322 VanDerWaalsContact C-N 3.34Å; Y322-H324 VanDerWaalsContact C-N 3.26Å; Y322-H324 PolarHBondContact O-N 3.41Å; Y322-I325 PolarHBondContact O-N 2.72Å; Y322-I326 HydrophobicContact CD1-CD1 4.1Å; Y322-I326 HydrophobicContact CE1-CD1 3.62Å; Y322-I326 HydrophobicContact CE2-CD1 4.08Å; Y322-I326 PolarHBondContact O-N 2.77Å; Y322-F364 HydrophobicContact CD1-CB 4.05Å; Y322-F364 HydrophobicContact CD2-CB 4.14Å; Y322-F364 HydrophobicContact CG-CB 3.71Å
323A98.1Very high98.1Very high0 Ų025.7 Ų25.70%013%0.126CC..Hα-helixtrans-61.3-34.517400000112.7A15 C231 V319 I320 I326 N327 F329A15-A323 HydrophobicContact CB-CB 3.91Å; C231-A323 HydrophobicContact CB-CB 3.84Å; V319-A323 PolarHBondContact O-N 3.24Å; I320-A323 PolarHBondContact O-N 2.88Å; A323-I326 PolarHBondContact O-N 3.23Å; A323-N327 WeakPolarHBondContact O-CB 3.45Å; A323-N327 PolarHBondContact O-N 2.67Å; A323-N327 VanDerWaalsContact O-N 3.16Å; A323-N327 PolarHBondContact O-ND2 3.36Å; A323-F329 HydrophobicContact CB-CE2 4.04Å; A323-F329 HydrophobicContact CB-CZ 4.48Å
324H98.4Very high98.2Very high44 Ų4425.7 Ų25.720%0.20413%0.126CC..Hα-helixtrans-68.6-41.9176.3177.963.3000112.3I320 R321 Y322 I326 N327 D328 F329 I414I320-H324 WeakPolarHBondContact O-CB 3.45Å; I320-H324 PolarHBondContact O-N 3.06Å; R321-H324 WeakPolarHBondContact O-CB 3.41Å; R321-H324 PolarHBondContact O-N 3.24Å; R321-H324 VanDerWaalsContact O-N 3.17Å; Y322-H324 VanDerWaalsContact C-N 3.26Å; Y322-H324 PolarHBondContact O-N 3.41Å; H324-I326 PolarHBondContact O-N 3.35Å; H324-N327 PolarHBondContact O-N 2.91Å; H324-N327 VanDerWaalsContact O-N 3.14Å; H324-D328 IonicContact CE1-OD1 3.54Å; H324-D328 WeakPolarHBondContact O-CA 3.42Å; H324-D328 PolarHBondContact O-N 2.91Å; H324-F329 HydrophobicContact CB-CD2 3.94Å; H324-F329 HydrophobicContact CB-CE2 4.43Å; H324-F329 PolarHBondContact CE1-O 2.84Å; H324-F329 AromaticContact ND1-CD2 3.97Å; H324-F329 PolarHBondContact ND1-N 2.97Å; H324-F329 VanDerWaalsContact ND1-N 3.13Å; H324-I414 HydrophobicContact CB-CD1 3.69Å; H324-I414 WeakPolarHBondContact ND1-CD1 3.14Å
325I97.7Very high98.1Very high126 Ų12625.9 Ų25.965%0.64613%0.129SC*.Hα-helixtrans-54.9-37.1175.1-69.7164.7000111.2R321 Y322R321-I325 WeakPolarHBondContact O-CG1 3.34Å; R321-I325 PolarHBondContact O-N 2.74Å; Y322-I325 PolarHBondContact O-N 2.72Å
326I97.9Very high98Very high37 Ų3728.6 Ų28.619%0.1914%0.141CC..Hα-helixtrans-78.4-34.1-178.5-64.5160.3000112.5F237 Y322 A323 H324F237-I326 HydrophobicContact CB-CD1 3.69Å; F237-I326 HydrophobicContact CD1-CD1 4.33Å; F237-I326 HydrophobicContact CD2-CD1 4.37Å; F237-I326 HydrophobicContact CD2-CG2 4.08Å; F237-I326 HydrophobicContact CE2-CG2 4.27Å; F237-I326 HydrophobicContact CG-CD1 3.89Å; Y322-I326 HydrophobicContact CD1-CD1 4.1Å; Y322-I326 HydrophobicContact CE1-CD1 3.62Å; Y322-I326 HydrophobicContact CE2-CD1 4.08Å; Y322-I326 PolarHBondContact O-N 2.77Å; A323-I326 PolarHBondContact O-N 3.23Å; H324-I326 PolarHBondContact O-N 3.35Å
327N98.3Very high97.9Very high4 Ų428.6 Ų28.62%0.02114%0.14CC..Hα-helixtrans-117.1-13.4-165-65.2-73000115.2L13 S249 V250 A323 H324 F329L13-N327 HydrophobicContact CD1-CB 4.37Å; L13-N327 VanDerWaalsContact CD1-OD1 3.23Å; L13-N327 WeakPolarHBondContact CD1-OD1 3.13Å; S249-N327 WeakPolarHBondContact CA-OD1 3.4Å; S249-N327 WeakPolarHBondContact CB-OD1 3.43Å; V250-N327 PolarHBondContact N-OD1 3.39Å; A323-N327 WeakPolarHBondContact O-CB 3.45Å; A323-N327 PolarHBondContact O-N 2.67Å; A323-N327 VanDerWaalsContact O-N 3.16Å; A323-N327 PolarHBondContact O-ND2 3.36Å; H324-N327 PolarHBondContact O-N 2.91Å; H324-N327 VanDerWaalsContact O-N 3.14Å; N327-F329 HydrophobicContact CB-CD1 4.12Å; N327-F329 HydrophobicContact CB-CE1 3.61Å; N327-F329 HydrophobicContact CB-CE2 4.27Å; N327-F329 HydrophobicContact CB-CZ 3.69Å; N327-F329 PolarHBondContact O-N 3.3Å
328D97.5Very high97.8Very high113 Ų11330.1 Ų30.160%0.60415%0.149SC*.  trans50.156.7-179.6-165.629.9000113.2H324 N330H324-D328 IonicContact CE1-OD1 3.54Å; H324-D328 WeakPolarHBondContact O-CA 3.42Å; H324-D328 PolarHBondContact O-N 2.91Å; D328-N330 PolarHBondContact O-N 3.44Å
329F98.5Very high97.8Very high6 Ų630.1 Ų30.13%0.02615%0.149CC..  trans-56.8125.2-179.2-60.1-55.2000112.7L13 A15 V267 G269 A323 H324 N327 L332 I414L13-F329 HydrophobicContact CB-CE1 4.19Å; A15-F329 HydrophobicContact CB-CE2 3.71Å; A15-F329 HydrophobicContact CB-CZ 3.95Å; V267-F329 HydrophobicContact CG1-CD1 3.84Å; V267-F329 HydrophobicContact CG1-CE1 4.06Å; V267-F329 CarbonylContact O-C 3.54Å; V267-F329 WeakPolarHBondContact O-CA 3.34Å; G269-F329 VanDerWaalsContact CA-CD1 3.48Å; G269-F329 VanDerWaalsContact N-CD1 3.31Å; A323-F329 HydrophobicContact CB-CE2 4.04Å; A323-F329 HydrophobicContact CB-CZ 4.48Å; H324-F329 HydrophobicContact CB-CD2 3.94Å; H324-F329 HydrophobicContact CB-CE2 4.43Å; H324-F329 PolarHBondContact CE1-O 2.84Å; H324-F329 AromaticContact ND1-CD2 3.97Å; H324-F329 PolarHBondContact ND1-N 2.97Å; H324-F329 VanDerWaalsContact ND1-N 3.13Å; N327-F329 HydrophobicContact CB-CD1 4.12Å; N327-F329 HydrophobicContact CB-CE1 3.61Å; N327-F329 HydrophobicContact CB-CE2 4.27Å; N327-F329 HydrophobicContact CB-CZ 3.69Å; N327-F329 PolarHBondContact O-N 3.3Å; F329-L332 HydrophobicContact CB-CD2 4.18Å; F329-L332 HydrophobicContact CD2-CD2 4.08Å; F329-L332 HydrophobicContact CG-CD2 4.19Å; F329-I414 HydrophobicContact CB-CG2 4.35Å
330N98Very high97.8Very high76 Ų7630.2 Ų30.241%0.40615%0.149SC..SBendtrans-75.5-31.5173.9-59.3110.2000112.8R266 V267 D328 P415R266-N330 WeakPolarHBondContact CA-OD1 3.31Å; V267-N330 PolarHBondContact N-OD1 3.39Å; V267-N330 PolarHBondContact O-N 2.92Å; V267-N330 PolarHBondContact O-OD1 3.27Å; D328-N330 PolarHBondContact O-N 3.44Å; N330-P415 VanDerWaalsContact O-CG 3.29Å; N330-P415 WeakPolarHBondContact O-CG 3.46Å
331A98.4Very high97.8Very high6 Ų630.5 Ų30.55%0.0515%0.151CC..EExtended strand (participates in β ladder)trans-159.7160.817600000110.5Y268 G269 P415 R417 W418Y268-A331 WeakPolarHBondContact CA-O 3.13Å; Y268-A331 HydrophobicContact CD1-CB 4.12Å; Y268-A331 HydrophobicContact CE1-CB 4.42Å; G269-A331 PolarHBondContact N-O 2.91Å; A331-P415 CarbonylContact C-O 3.55Å; A331-P415 VanDerWaalsContact CA-O 3.25Å; A331-P415 WeakPolarHBondContact CA-O 3.46Å; A331-P415 HydrophobicContact CB-CG 4.26Å; A331-R417 HydrophobicContact CB-CB 3.84Å; A331-W418 HydrophobicContact CB-CZ3 4.31Å
332L98.7Very high97.8Very high0 Ų031.1 Ų31.10%016%0.159CC..EExtended strand (participates in β ladder)trans-110.4147.8177.3-59176.2000112.1G269 I271 I320 F329 L412 I414 P415 I416 R417 W418G269-L332 CarbonylContact O-C 3.43Å; G269-L332 VanDerWaalsContact O-CA 3.25Å; G269-L332 WeakPolarHBondContact O-CA 3.35Å; I271-L332 HydrophobicContact CD1-CD1 4.05Å; I320-L332 HydrophobicContact CG2-CD1 4.46Å; F329-L332 HydrophobicContact CB-CD2 4.18Å; F329-L332 HydrophobicContact CD2-CD2 4.08Å; F329-L332 HydrophobicContact CG-CD2 4.19Å; L332-L412 HydrophobicContact CD1-CD1 3.5Å; L332-L412 VanDerWaalsContact CD1-CD1 3.5Å; L332-I414 HydrophobicContact CD1-CB 4.1Å; L332-I414 HydrophobicContact CD1-CD1 4.25Å; L332-I414 HydrophobicContact CD1-CG2 4.15Å; L332-I414 HydrophobicContact CD2-CG2 4.32Å; L332-I414 HydrophobicContact CG-CB 4.24Å; L332-I414 HydrophobicContact CG-CG2 3.73Å; L332-P415 PolarHBondContact N-O 2.79Å; L332-I416 HydrophobicContact CB-CG1 4.16Å; L332-I416 CarbonylContact O-C 3.49Å; L332-R417 PolarHBondContact O-N 3.09Å; L332-W418 PolarHBondContact O-N 2.92Å
333A98.3Very high97.8Very high3 Ų329.7 Ų29.73%0.02515%0.154CC..EExtended strand (participates in β ladder)trans-103116.7158.800000109L25 G269 V270 I271 W418L25-A333 HydrophobicContact CD1-CB 4.32Å; L25-A333 HydrophobicContact CD2-CB 3.79Å; L25-A333 HydrophobicContact CG-CB 4.47Å; G269-A333 PolarHBondContact O-N 3.27Å; V270-A333 HydrophobicContact CG1-CB 4.34Å; V270-A333 HydrophobicContact CG2-CB 4.48Å; I271-A333 PolarHBondContact N-O 2.97Å; A333-W418 CarbonylContact C-O 3.56Å; A333-W418 WeakPolarHBondContact CA-O 3.32Å; A333-W418 HydrophobicContact CB-CB 3.8Å; A333-W418 HydrophobicContact CB-CD2 4.48Å; A333-W418 HydrophobicContact CB-CE3 4Å; A333-W418 HydrophobicContact CB-CG 4.45Å
334L98.4Very high97.7Very high0 Ų036.6 Ų36.60%019%0.187CC..EExtended strand (participates in β ladder)trans-91.9113.2173.9-179.871.2000109.3I271 A273 I337 F404 V405 I416 W418 I419 G420I271-L334 HydrophobicContact CD1-CD1 3.74Å; I271-L334 HydrophobicContact CG1-CB 4.46Å; I271-L334 HydrophobicContact CG1-CD1 3.91Å; I271-L334 CarbonylContact O-C 3.58Å; I271-L334 WeakPolarHBondContact O-CA 3.4Å; A273-L334 HydrophobicContact CB-CD1 3.98Å; A273-L334 HydrophobicContact CB-CG 4.41Å; L334-I337 HydrophobicContact CD2-CD1 4.09Å; L334-F404 HydrophobicContact CD1-CE1 4.46Å; L334-F404 HydrophobicContact CD2-CD1 4.38Å; L334-F404 HydrophobicContact CD2-CE1 4.1Å; L334-V405 HydrophobicContact CD2-CG2 3.91Å; L334-I416 HydrophobicContact CB-CD1 4.44Å; L334-I416 HydrophobicContact CB-CG2 3.75Å; L334-I416 HydrophobicContact CD2-CD1 4.36Å; L334-W418 PolarHBondContact N-O 3Å; L334-I419 CarbonylContact O-C 3.57Å; L334-I419 WeakPolarHBondContact O-CA 3.34Å; L334-G420 PolarHBondContact O-N 2.85Å
335T96.7Very high97.7Very high14 Ų1438.2 Ų38.29%0.08619%0.194CC..EExtended strand (participates in β ladder)trans-105.1157.3-177.371.10000112.3E20 V270 I271 K272 A273 I337E20-T335 WeakPolarHBondContact O-CB 3.34Å; E20-T335 WeakPolarHBondContact O-CG2 3.43Å; E20-T335 PolarHBondContact O-OG1 2.74Å; V270-T335 HydrophobicContact CG1-CG2 3.83Å; I271-T335 PolarHBondContact O-N 2.85Å; I271-T335 PolarHBondContact O-OG1 2.67Å; K272-T335 CarbonylContact C-O 3.59Å; K272-T335 WeakPolarHBondContact CA-O 3.45Å; K272-T335 WeakPolarHBondContact CA-OG1 3.36Å; A273-T335 PolarHBondContact N-O 3.08Å; T335-I337 VanDerWaalsContact C-N 3.34Å; T335-I337 PolarHBondContact O-N 2.73Å
336K95.5Very high97.7Very high57 Ų5732.2 Ų32.225%0.24816%0.163CC..  trans57.139.2174.4-56.5-161.9177.6-176.90114.5K272 Y274 G299 E301 D338 V339 G420K272-K336 HydrophobicContact CD-CB 4.49Å; K272-K336 HydrophobicContact CD-CD 4.03Å; K272-K336 HydrophobicContact CG-CB 3.97Å; K272-K336 HydrophobicContact CG-CD 4.32Å; K272-K336 HydrophobicContact CG-CG 4.29Å; Y274-K336 HydrophobicContact CE1-CB 4Å; Y274-K336 WeakPolarHBondContact OH-CD 3.25Å; G299-K336 PolarHBondContact O-NZ 2.73Å; E301-K336 IonicContact OE1-NZ 3.08Å; E301-K336 PolarHBondContact OE1-NZ 3.23Å; E301-K336 IonicContact OE2-NZ 3.93Å; K336-D338 VanDerWaalsContact CA-OD1 3.29Å; K336-D338 WeakPolarHBondContact CA-OD1 3.39Å; K336-D338 PolarHBondContact O-N 2.99Å; K336-V339 HydrophobicContact CB-CG2 3.9Å; K336-V339 HydrophobicContact CD-CG2 4.25Å; K336-V339 PolarHBondContact O-N 2.86Å; K336-G420 PolarHBondContact N-O 2.76Å
337I97.3Very high97.8Very high0 Ų033 Ų330%017%0.166CC..G310 helixtrans-65-32.5172.5-158.2172.3000110.4A273 L334 T335 V339 L340 W384 A401 F404 V405 I419 G420 T421A273-I337 HydrophobicContact CB-CB 4.37Å; A273-I337 HydrophobicContact CB-CG1 4.44Å; L334-I337 HydrophobicContact CD2-CD1 4.09Å; T335-I337 VanDerWaalsContact C-N 3.34Å; T335-I337 PolarHBondContact O-N 2.73Å; I337-V339 PolarHBondContact O-N 3.35Å; I337-V339 VanDerWaalsContact O-N 3.09Å; I337-L340 WeakPolarHBondContact O-CB 3.31Å; I337-L340 PolarHBondContact O-N 3.42Å; I337-W384 HydrophobicContact CD1-CH2 4.25Å; I337-W384 HydrophobicContact CD1-CZ2 4.45Å; I337-W384 HydrophobicContact CG1-CH2 3.71Å; I337-W384 HydrophobicContact CG1-CZ2 3.75Å; I337-W384 WeakPolarHBondContact O-CZ2 3.17Å; I337-A401 HydrophobicContact CD1-CB 4.43Å; I337-F404 HydrophobicContact CD1-CD1 4.11Å; I337-V405 HydrophobicContact CD1-CG2 3.92Å; I337-I419 HydrophobicContact CD1-CG2 4.43Å; I337-I419 HydrophobicContact CG2-CG2 4Å; I337-G420 WeakPolarHBondContact CG2-O 3.49Å; I337-G420 PolarHBondContact N-O 2.65Å; I337-T421 HydrophobicContact CG2-CG2 4.1Å
338D96.6Very high97.8Very high32 Ų3232.9 Ų32.917%0.17117%0.165CC..G310 helixtrans-57.2-24.1177.856.4-68.9000114.5K336 L340 D341 T388 G422K336-D338 VanDerWaalsContact CA-OD1 3.29Å; K336-D338 WeakPolarHBondContact CA-OD1 3.39Å; K336-D338 PolarHBondContact O-N 2.99Å; D338-L340 PolarHBondContact O-N 3.03Å; D338-D341 WeakPolarHBondContact CA-OD1 3.44Å; D338-D341 WeakPolarHBondContact O-CB 3.35Å; D338-D341 PolarHBondContact O-N 3.2Å; D338-T388 VanDerWaalsContact CA-OG1 3.27Å; D338-T388 WeakPolarHBondContact CA-OG1 3.49Å; D338-G422 PolarHBondContact OD1-N 3.13Å
339V97.2Very high97.8Very high3 Ų327.5 Ų27.52%0.01814%0.136CC..G310 helixtrans-70.8-22.5177.5177.50000111.9Y274 I295 K298 K336 I337Y274-V339 HydrophobicContact CE1-CB 3.75Å; Y274-V339 HydrophobicContact CE1-CG1 3.74Å; Y274-V339 HydrophobicContact CE1-CG2 4.22Å; I295-V339 HydrophobicContact CG2-CG1 3.91Å; K298-V339 HydrophobicContact CB-CG1 4.01Å; K298-V339 HydrophobicContact CG-CB 4.47Å; K298-V339 HydrophobicContact CG-CG1 4Å; K336-V339 HydrophobicContact CB-CG2 3.9Å; K336-V339 HydrophobicContact CD-CG2 4.25Å; K336-V339 PolarHBondContact O-N 2.86Å; I337-V339 PolarHBondContact O-N 3.35Å; I337-V339 VanDerWaalsContact O-N 3.09Å
340L98.2Very high97.8Very high1 Ų130.3 Ų30.31%0.00515%0.148CC..G310 helixtrans-92.2-0.4-179.6-53.4-176.6000112.8A273 Y274 I295 I337 D338 D342 L343 V346 W384 F404A273-L340 HydrophobicContact CB-CD1 3.82Å; A273-L340 HydrophobicContact CB-CG 4.5Å; Y274-L340 HydrophobicContact CD1-CD2 3.98Å; Y274-L340 HydrophobicContact CD1-CG 4.44Å; I295-L340 HydrophobicContact CD1-CD2 3.89Å; I295-L340 HydrophobicContact CG1-CD2 4.21Å; I337-L340 WeakPolarHBondContact O-CB 3.31Å; I337-L340 PolarHBondContact O-N 3.42Å; D338-L340 PolarHBondContact O-N 3.03Å; L340-D342 VanDerWaalsContact C-N 3.26Å; L340-D342 PolarHBondContact O-N 2.86Å; L340-D342 VanDerWaalsContact O-N 3.13Å; L340-L343 HydrophobicContact CB-CD1 4.14Å; L340-L343 HydrophobicContact CD2-CD1 3.75Å; L340-L343 WeakPolarHBondContact O-CB 3.46Å; L340-L343 PolarHBondContact O-N 2.94Å; L340-V346 HydrophobicContact CB-CG1 4.26Å; L340-V346 HydrophobicContact CD1-CG1 4.3Å; L340-W384 HydrophobicContact CB-CH2 3.56Å; L340-W384 HydrophobicContact CB-CZ2 3.66Å; L340-W384 HydrophobicContact CD1-CH2 4.15Å; L340-W384 HydrophobicContact CG-CH2 4.45Å; L340-F404 HydrophobicContact CD1-CZ 4.36Å
341D98.1Very high97.8Very high7 Ų726.9 Ų26.94%0.03713%0.131CC..THydrogen-bonded Turntrans-54.9-36-170.4-75.4-12000114.9D338 W384 K385 T386 S387 T388D338-D341 WeakPolarHBondContact CA-OD1 3.44Å; D338-D341 WeakPolarHBondContact O-CB 3.35Å; D338-D341 PolarHBondContact O-N 3.2Å; D341-W384 VanDerWaalsContact CA-NE1 3.35Å; D341-W384 PolarHBondContact OD1-NE1 3.21Å; D341-K385 CarbonylContact O-C 3.47Å; D341-K385 WeakPolarHBondContact O-CA 3.13Å; D341-K385 PolarHBondContact O-N 2.71Å; D341-T386 PolarHBondContact O-N 3.02Å; D341-S387 VanDerWaalsContact OD2-CA 3.32Å; D341-S387 WeakPolarHBondContact OD2-CA 3.4Å; D341-T388 VanDerWaalsContact CG-N 3.32Å; D341-T388 WeakPolarHBondContact OD1-CB 3.47Å; D341-T388 VanDerWaalsContact OD1-CG2 3.24Å; D341-T388 WeakPolarHBondContact OD1-CG2 3.36Å; D341-T388 PolarHBondContact OD1-N 2.88Å; D341-T388 PolarHBondContact OD1-OG1 3.45Å; D341-T388 PolarHBondContact OD2-N 3.46Å; D341-T388 PolarHBondContact OD2-OG1 3.45Å
342D97.1Very high97.8Very high79 Ų7926.6 Ų26.642%0.42213%0.128SC..THydrogen-bonded Turntrans-93.21.6-172.2-54.3-49.1000113.6F294 K298 L340F294-D342 HydrophobicContact CZ-CB 3.85Å; K298-D342 IonicContact NZ-OD2 2.91Å; K298-D342 PolarHBondContact NZ-OD2 3.31Å; L340-D342 VanDerWaalsContact C-N 3.26Å; L340-D342 PolarHBondContact O-N 2.86Å; L340-D342 VanDerWaalsContact O-N 3.13Å
343L97.8Very high97.8Very high15 Ų1528.5 Ų28.58%0.07914%0.138CC..  trans-79.2148.9-175.6-63.2178.3000112.5I291 F294 I295 W314 L340 V346 G383I291-L343 HydrophobicContact CG2-CD2 4.19Å; F294-L343 HydrophobicContact CD1-CD2 3.76Å; F294-L343 HydrophobicContact CE1-CD2 3.81Å; F294-L343 HydrophobicContact CE1-CG 4.35Å; I295-L343 HydrophobicContact CD1-CD1 4.19Å; I295-L343 HydrophobicContact CG1-CD1 4.42Å; W314-L343 HydrophobicContact CH2-CD1 4.12Å; W314-L343 HydrophobicContact CZ3-CD1 4.19Å; L340-L343 HydrophobicContact CB-CD1 4.14Å; L340-L343 HydrophobicContact CD2-CD1 3.75Å; L340-L343 WeakPolarHBondContact O-CB 3.46Å; L340-L343 PolarHBondContact O-N 2.94Å; L343-V346 HydrophobicContact CB-CG1 4.28Å; L343-V346 HydrophobicContact CD1-CG1 4.07Å; L343-G383 WeakPolarHBondContact O-CA 3.45Å
344E97.4Very high97.6Very high146 Ų14629.8 Ų29.868%0.68215%0.145SC*.SBendtrans-75.9-39.8173.8-84.6-179.3179.600113.1G383 K385E344-G383 WeakPolarHBondContact O-CA 3.49Å; E344-G383 PolarHBondContact O-N 3.18Å; E344-K385 IonicContact OE1-NZ 2.77Å; E344-K385 PolarHBondContact OE1-NZ 2.81Å
345E97.9Very high97.3Very high77 Ų7733.2 Ų33.236%0.3617%0.167SC..EExtended strand (participates in β ladder)trans-140.7152177.560.1175.4-146.300108.9K347 T380 L381E345-K347 WeakPolarHBondContact OE1-CE 3.41Å; E345-K347 IonicContact OE1-NZ 2.69Å; E345-K347 PolarHBondContact OE1-NZ 3.21Å; E345-T380 HydrophobicContact CB-CG2 4.17Å; E345-L381 WeakPolarHBondContact CA-O 3.45Å
346V98.3Very high97.1Very high0 Ų041.2 Ų41.20%020%0.203CC..EExtended strand (participates in β ladder)trans-125.2142.4171.8-63.20000108.7W314 L340 L343 L381 W384 F404W314-V346 HydrophobicContact CZ3-CB 4.28Å; W314-V346 HydrophobicContact CZ3-CG1 4.5Å; L340-V346 HydrophobicContact CB-CG1 4.26Å; L340-V346 HydrophobicContact CD1-CG1 4.3Å; L343-V346 HydrophobicContact CB-CG1 4.28Å; L343-V346 HydrophobicContact CD1-CG1 4.07Å; V346-L381 HydrophobicContact CG2-CB 3.91Å; V346-L381 PolarHBondContact N-O 3.25Å; V346-L381 PolarHBondContact O-N 2.84Å; V346-W384 HydrophobicContact CG1-CZ3 4.14Å; V346-W384 HydrophobicContact CG2-CZ3 4.25Å; V346-F404 HydrophobicContact CB-CD2 4.42Å; V346-F404 HydrophobicContact CB-CE2 4.49Å; V346-F404 HydrophobicContact CG2-CD2 3.61Å; V346-F404 HydrophobicContact CG2-CE2 4.13Å
347K98.5Very high97Very high55 Ų5542.2 Ų42.224%0.23921%0.214CC..EExtended strand (participates in β ladder)trans-117.2145.8-180-64.5176-180154.90111.1W314 E345 Y378 E379 T380W314-K347 WeakPolarHBondContact CB-O 3.27Å; W314-K347 HydrophobicContact CD2-CB 3.73Å; W314-K347 HydrophobicContact CE3-CB 4.27Å; W314-K347 HydrophobicContact CG-CB 3.84Å; W314-K347 HydrophobicContact CZ2-CB 4.4Å; W314-K347 HydrophobicContact CZ2-CG 4.47Å; E345-K347 WeakPolarHBondContact OE1-CE 3.41Å; E345-K347 IonicContact OE1-NZ 2.69Å; E345-K347 PolarHBondContact OE1-NZ 3.21Å; K347-Y378 HydrophobicContact CB-CD1 3.77Å; K347-Y378 HydrophobicContact CB-CG 4.23Å; K347-Y378 HydrophobicContact CD-CG 4.42Å; K347-E379 CarbonylContact C-O 3.5Å; K347-E379 WeakPolarHBondContact CA-O 3.35Å; K347-T380 HydrophobicContact CG-CG2 4.22Å
348I98.7Very high96.9Very high0 Ų044.9 Ų44.90%024%0.242CC..EExtended strand (participates in β ladder)trans-121.4117.8173.6-57.5168.5000107.5L315 T317 K350 Y378 E379 L381 F404 T407 V408 L411L315-I348 HydrophobicContact CB-CG2 4.49Å; L315-I348 HydrophobicContact CD2-CG1 4.4Å; L315-I348 HydrophobicContact CD2-CG2 4.35Å; L315-I348 HydrophobicContact CG-CG2 4.41Å; L315-I348 CarbonylContact O-C 3.47Å; L315-I348 WeakPolarHBondContact O-CA 2.91Å; T317-I348 HydrophobicContact CG2-CG2 3.48Å; T317-I348 VanDerWaalsContact CG2-CG2 3.48Å; I348-K350 PolarHBondContact O-N 3.1Å; I348-K350 VanDerWaalsContact O-N 3.14Å; I348-Y378 CarbonylContact O-C 3.59Å; I348-Y378 VanDerWaalsContact O-CA 3.3Å; I348-Y378 WeakPolarHBondContact O-CA 3.44Å; I348-E379 HydrophobicContact CB-CB 4.39Å; I348-E379 PolarHBondContact N-O 2.88Å; I348-E379 PolarHBondContact O-N 2.75Å; I348-L381 HydrophobicContact CD1-CD1 3.84Å; I348-F404 HydrophobicContact CD1-CD2 3.95Å; I348-F404 HydrophobicContact CD1-CE2 3.81Å; I348-F404 HydrophobicContact CG1-CD2 4.23Å; I348-F404 HydrophobicContact CG1-CE2 3.68Å; I348-F404 HydrophobicContact CG1-CZ 4.47Å; I348-T407 HydrophobicContact CD1-CG2 3.96Å; I348-V408 HydrophobicContact CD1-CG2 3.67Å; I348-L411 HydrophobicContact CB-CD1 4.39Å; I348-L411 HydrophobicContact CD1-CD1 4.4Å; I348-L411 HydrophobicContact CG2-CD1 3.76Å
349A98.5Very high96.9Very high0 Ų052.1 Ų52.10%027%0.267CS..EExtended strand (participates in β ladder)trans-66.8110.8170.300000108.3L315 D316 T317 V376 Y378L315-A349 PolarHBondContact O-N 3.12Å; D316-A349 HydrophobicContact CB-CB 4.27Å; T317-A349 PolarHBondContact N-O 2.8Å; T317-A349 PolarHBondContact OG1-O 2.92Å; A349-V376 HydrophobicContact CB-CG1 3.36Å; A349-Y378 HydrophobicContact CB-CD1 4.06Å; A349-Y378 HydrophobicContact CB-CE1 3.73Å
350K98.2Very high96.9Very high65 Ų6557.8 Ų57.828%0.28329%0.293SS..EExtended strand (participates in β ladder)trans-101.8-30.5-173.364.7171.4173-170.70113.8T317 R321 I348 V377 E379 L411T317-K350 WeakPolarHBondContact OG1-CA 3.3Å; R321-K350 PolarHBondContact NH1-O 2.98Å; R321-K350 VanDerWaalsContact NH1-O 3.13Å; R321-K350 PolarHBondContact NH2-O 2.69Å; I348-K350 PolarHBondContact O-N 3.1Å; I348-K350 VanDerWaalsContact O-N 3.14Å; K350-V377 HydrophobicContact CG-CB 4.41Å; K350-V377 HydrophobicContact CG-CG1 4.22Å; K350-V377 WeakPolarHBondContact CG-O 3.43Å; K350-V377 PolarHBondContact N-O 2.97Å; K350-E379 HydrophobicContact CD-CB 4.24Å; K350-E379 IonicContact NZ-OE2 3.52Å; K350-E379 PolarHBondContact NZ-OE2 2.7Å; K350-L411 HydrophobicContact CB-CD1 4.27Å; K350-L411 HydrophobicContact CB-CD2 4.13Å
351A98.3Very high96.8Very high5 Ų559.5 Ų59.54%0.04130%0.302CS..EExtended strand (participates in β ladder)trans-151.4159.5-177.800000111.2E360 V377A351-E360 HydrophobicContact CB-CG 3.97Å; A351-E360 WeakPolarHBondContact CB-OE1 3.42Å; A351-V377 HydrophobicContact CB-CB 4.14Å; A351-V377 HydrophobicContact CB-CG2 4.35Å; A351-V377 PolarHBondContact N-O 3.36Å; A351-V377 PolarHBondContact O-N 2.84Å
352Y98.1Very high96.6Very high0 Ų067.1 Ų67.10%034%0.343CS..EExtended strand (participates in β ladder)trans-115.7131.9171.3-65.6-18.8000108.9P284 D316 V318 E360 L361 F364 L371 V374 V376P284-Y352 HydrophobicContact CB-CE1 3.9Å; P284-Y352 HydrophobicContact CG-CE1 4.37Å; P284-Y352 HydrophobicContact CG-CE2 4.27Å; D316-Y352 PolarHBondContact OD1-OH 2.79Å; D316-Y352 WeakPolarHBondContact OD2-CE1 3.32Å; D316-Y352 PolarHBondContact OD2-OH 2.9Å; V318-Y352 HydrophobicContact CB-CD2 4.3Å; V318-Y352 HydrophobicContact CB-CE1 4.17Å; V318-Y352 HydrophobicContact CB-CE2 3.98Å; V318-Y352 HydrophobicContact CG1-CD2 3.75Å; V318-Y352 HydrophobicContact CG1-CE2 3.7Å; V318-Y352 HydrophobicContact CG1-CG 4.27Å; V318-Y352 HydrophobicContact CG2-CD1 3.94Å; V318-Y352 HydrophobicContact CG2-CD2 4.42Å; V318-Y352 HydrophobicContact CG2-CE1 3.92Å; V318-Y352 HydrophobicContact CG2-CE2 4.43Å; V318-Y352 HydrophobicContact CG2-CG 4.18Å; Y352-E360 WeakPolarHBondContact O-CA 3.4Å; Y352-L361 PolarHBondContact O-N 2.84Å; Y352-F364 AromaticContact CE2-CD2 3.91Å; Y352-F364 HydrophobicContact CE2-CD2 3.91Å; Y352-F364 HydrophobicContact CE2-CE2 4.26Å; Y352-L371 HydrophobicContact CD2-CD1 4.46Å; Y352-L371 HydrophobicContact CE2-CD1 3.84Å; Y352-V374 HydrophobicContact CD1-CG2 4.12Å; Y352-V374 HydrophobicContact CD2-CG1 4.44Å; Y352-V374 HydrophobicContact CD2-CG2 4.18Å; Y352-V374 HydrophobicContact CG-CB 4.21Å; Y352-V374 HydrophobicContact CG-CG1 4.44Å; Y352-V374 HydrophobicContact CG-CG2 3.95Å; Y352-V376 HydrophobicContact CD1-CG1 4.35Å; Y352-V376 HydrophobicContact CD1-CG2 4.05Å; Y352-V376 HydrophobicContact CE1-CG1 4.26Å; Y352-V376 HydrophobicContact CE1-CG2 3.99Å
353I98Very high96.4Very high40 Ų4065.9 Ų65.921%0.20534%0.34CS..EExtended strand (participates in β ladder)trans-105.2130.6171.9-53.5-55.9000108.4R359 E360 V375 V377I353-R359 WeakPolarHBondContact CA-O 3.36Å; I353-E360 HydrophobicContact CD1-CB 3.71Å; I353-E360 HydrophobicContact CD1-CG 4.16Å; I353-V375 HydrophobicContact CB-CB 4.27Å; I353-V375 PolarHBondContact N-O 2.88Å; I353-V375 PolarHBondContact O-N 2.77Å; I353-V377 HydrophobicContact CD1-CG2 4.05Å; I353-V377 HydrophobicContact CG1-CG2 3.54Å
354D95.2Very high96.2Very high30 Ų3065.7 Ų65.716%0.1634%0.339CS..  trans-69.3119.4167.8173.4-3.5000109.2E356 T357 G358 R359 L361D354-E356 PolarHBondContact O-N 2.68Å; D354-E356 WeakPolarHBondContact OD1-CB 3.48Å; D354-E356 PolarHBondContact OD1-N 2.97Å; D354-T357 WeakPolarHBondContact CB-OG1 3.26Å; D354-T357 VanDerWaalsContact CG-OG1 3.24Å; D354-T357 VanDerWaalsContact OD2-CG2 3.32Å; D354-T357 WeakPolarHBondContact OD2-CG2 3.48Å; D354-T357 PolarHBondContact OD2-OG1 3.06Å; D354-G358 VanDerWaalsContact O-CA 3.25Å; D354-G358 WeakPolarHBondContact O-CA 3.3Å; D354-G358 PolarHBondContact O-N 2.77Å; D354-R359 PolarHBondContact N-O 2.75Å; D354-L361 HydrophobicContact CB-CD2 4Å
355P92Very high96Very high72 Ų7259.8 Ų59.847%0.46831%0.313SS..THydrogen-bonded Turntrans-66.3-24-177.830.2-38.2000113.5H373 V375P355-H373 HydrophobicContact CG-CB 4.21Å; P355-H373 WeakPolarHBondContact CG-O 3.41Å; P355-V375 HydrophobicContact CB-CG2 4.34Å
356E91.9Very high95.7Very high181 Ų18162.3 Ų62.385%0.84634%0.339SS*.THydrogen-bonded Turntrans-80.7-42.3-177.9-61-172.7173.600111.4D354D354-E356 PolarHBondContact O-N 2.68Å; D354-E356 WeakPolarHBondContact OD1-CB 3.48Å; D354-E356 PolarHBondContact OD1-N 2.97Å
357T93.9Very high95.3Very high78 Ų7866.1 Ų66.148%0.47936%0.359SS..THydrogen-bonded Turntrans-98.2-16.9-176.265.50000113.7D354 R359D354-T357 WeakPolarHBondContact CB-OG1 3.26Å; D354-T357 VanDerWaalsContact CG-OG1 3.24Å; D354-T357 VanDerWaalsContact OD2-CG2 3.32Å; D354-T357 WeakPolarHBondContact OD2-CG2 3.48Å; D354-T357 PolarHBondContact OD2-OG1 3.06Å; T357-R359 PolarHBondContact O-N 2.9Å; T357-R359 PolarHBondContact OG1-N 2.77Å
358G94.9Very high94.7Very high56 Ų5664.9 Ų64.958%0.57736%0.358SS*.  trans68.59.4-17300000114D354D354-G358 VanDerWaalsContact O-CA 3.25Å; D354-G358 WeakPolarHBondContact O-CA 3.3Å; D354-G358 PolarHBondContact O-N 2.77Å
359R96.3Very high94.2Very high185 Ų18567.7 Ų67.770%0.69838%0.377SS*.PPolyproline II helixtrans-90.5146-177.2-64.9-177.6-179.6-177.61111.3I353 D354 T357I353-R359 WeakPolarHBondContact CA-O 3.36Å; D354-R359 PolarHBondContact N-O 2.75Å; T357-R359 PolarHBondContact O-N 2.9Å; T357-R359 PolarHBondContact OG1-N 2.77Å
360E97.4Very high93.9Very high121 Ų12170.1 Ų70.157%0.56539%0.392SS*.BIsolated β-bridgetrans-68.8133.2167.2-173.6169.6155.400110A351 Y352 I353A351-E360 HydrophobicContact CB-CG 3.97Å; A351-E360 WeakPolarHBondContact CB-OE1 3.42Å; Y352-E360 WeakPolarHBondContact O-CA 3.4Å; I353-E360 HydrophobicContact CD1-CB 3.71Å; I353-E360 HydrophobicContact CD1-CG 4.16Å
361L96.4Very high93.6Very high37 Ų3767.1 Ų67.119%0.19438%0.379CS..PPolyproline II helixtrans-78.6133.2175.3-61.2-176.1000110.3Y352 D354 S363 P365 V370 V374Y352-L361 PolarHBondContact O-N 2.84Å; D354-L361 HydrophobicContact CB-CD2 4Å; L361-S363 PolarHBondContact O-N 3.36Å; L361-P365 HydrophobicContact CD1-CB 4.28Å; L361-P365 HydrophobicContact CD1-CG 3.99Å; L361-V370 HydrophobicContact CD1-CG1 4.22Å; L361-V374 HydrophobicContact CD1-CG1 3.7Å
362D93.7Very high93.3Very high168 Ų16871.6 Ų71.690%0.89840%0.402SS*.SBendtrans-64.6-28.4-179.4-66-34.3000113.3
363S93.9Very high93Very high52 Ų5277.7 Ų77.736%0.36443%0.431SS..SBendtrans-156-176.8-179.472.10000111.9L361 P365L361-S363 PolarHBondContact O-N 3.36Å; S363-P365 WeakPolarHBondContact O-CD 3.33Å
364F93.6Very high93Very high12 Ų1276.5 Ų76.55%0.05343%0.425CS..  trans-64119.2174.2-168.5-87.9000110.1W17 M232 T239 V319 Y322 Y352 L371W17-F364 HydrophobicContact CH2-CE2 4.07Å; W17-F364 HydrophobicContact CH2-CZ 4.21Å; W17-F364 HydrophobicContact CZ2-CE2 4.35Å; W17-F364 HydrophobicContact CZ2-CZ 4.02Å; M232-F364 HydrophobicContact CE-CD1 3.7Å; M232-F364 HydrophobicContact CE-CD2 4.27Å; M232-F364 HydrophobicContact CE-CE1 3.31Å; M232-F364 HydrophobicContact CE-CE2 3.95Å; M232-F364 HydrophobicContact CE-CG 4.13Å; M232-F364 HydrophobicContact CE-CZ 3.42Å; M232-F364 VanDerWaalsContact CE-CZ 3.42Å; T239-F364 HydrophobicContact CG2-CE1 3.87Å; T239-F364 HydrophobicContact CG2-CZ 3.75Å; V319-F364 HydrophobicContact CG2-CD2 3.67Å; V319-F364 HydrophobicContact CG2-CE2 3.56Å; Y322-F364 HydrophobicContact CD1-CB 4.05Å; Y322-F364 HydrophobicContact CD2-CB 4.14Å; Y322-F364 HydrophobicContact CG-CB 3.71Å; Y352-F364 AromaticContact CE2-CD2 3.91Å; Y352-F364 HydrophobicContact CE2-CD2 3.91Å; Y352-F364 HydrophobicContact CE2-CE2 4.26Å; F364-L371 HydrophobicContact CD2-CD1 4.2Å; F364-L371 HydrophobicContact CE1-CD1 4.22Å; F364-L371 HydrophobicContact CE1-CD2 3.6Å; F364-L371 HydrophobicContact CE2-CD1 3.64Å; F364-L371 HydrophobicContact CE2-CD2 4Å; F364-L371 HydrophobicContact CE2-CG 4.48Å; F364-L371 HydrophobicContact CZ-CD1 3.69Å; F364-L371 HydrophobicContact CZ-CD2 3.2Å; F364-L371 HydrophobicContact CZ-CG 4.1Å
365P92.9Very high93.1Very high22 Ų2279 Ų7914%0.14344%0.441CS..  trans-68.3145.3-174.527-34.5000111.7L361 S363 V370 L371L361-P365 HydrophobicContact CD1-CB 4.28Å; L361-P365 HydrophobicContact CD1-CG 3.99Å; S363-P365 WeakPolarHBondContact O-CD 3.33Å; P365-V370 HydrophobicContact CB-CB 4.3Å; P365-V370 HydrophobicContact CB-CG1 4Å; P365-V370 HydrophobicContact CG-CG1 4.14Å; P365-L371 HydrophobicContact CG-CB 4.07Å; P365-L371 HydrophobicContact CG-CD1 3.75Å; P365-L371 HydrophobicContact CG-CG 4.48Å
366S90.7Very high93.4Very high130 Ų13076.6 Ų76.691%0.90943%0.425SS*.SBendtrans-76.4-26.2177.155.60000113.1
367D89.7Confident93.7Very high79 Ų7970.3 Ų70.342%0.42240%0.399SS..  trans-86.1120.7178.6-172.2-2.5000111.1S369 V370 L371D367-S369 PolarHBondContact O-N 3.41Å; D367-S369 WeakPolarHBondContact OD1-CB 3.29Å; D367-S369 PolarHBondContact OD1-N 3.41Å; D367-S369 PolarHBondContact OD1-OG 2.69Å; D367-S369 PolarHBondContact OD2-OG 3.19Å; D367-V370 HydrophobicContact CB-CB 4.31Å; D367-V370 HydrophobicContact CB-CG2 3.95Å; D367-V370 PolarHBondContact O-N 3.44Å; D367-L371 PolarHBondContact O-N 2.77Å
368S87.4Confident93.9Very high29 Ų2969.9 Ų69.920%0.20339%0.389CS..Hα-helixtrans-63.1-27.7174.8-69.60000112.6L371 N372S368-L371 PolarHBondContact O-N 3.2Å; S368-N372 PolarHBondContact O-N 2.98Å; S368-N372 PolarHBondContact O-ND2 3.02Å
369S88.2Confident94.1Very high60 Ų6070.3 Ų70.342%0.4238%0.376SS..Hα-helixtrans-65-46.8176.487.50000110.8D367 N372 H373D367-S369 PolarHBondContact O-N 3.41Å; D367-S369 WeakPolarHBondContact OD1-CB 3.29Å; D367-S369 PolarHBondContact OD1-N 3.41Å; D367-S369 PolarHBondContact OD1-OG 2.69Å; D367-S369 PolarHBondContact OD2-OG 3.19Å; S369-N372 PolarHBondContact O-N 3.25Å; S369-H373 PolarHBondContact O-ND1 2.89Å
370V91.5Very high94.2Very high50 Ų5064.9 Ų64.930%0.30336%0.364SS..Hα-helixtrans-61-49173.9177.30000109.7L361 P365 D367 N372 H373 V374L361-V370 HydrophobicContact CD1-CG1 4.22Å; P365-V370 HydrophobicContact CB-CB 4.3Å; P365-V370 HydrophobicContact CB-CG1 4Å; P365-V370 HydrophobicContact CG-CG1 4.14Å; D367-V370 HydrophobicContact CB-CB 4.31Å; D367-V370 HydrophobicContact CB-CG2 3.95Å; D367-V370 PolarHBondContact O-N 3.44Å; V370-N372 PolarHBondContact O-N 2.87Å; V370-H373 PolarHBondContact O-N 3.12Å; V370-V374 HydrophobicContact CG1-CG1 4.15Å; V370-V374 WeakPolarHBondContact O-CG1 3.24Å; V370-V374 PolarHBondContact O-N 3.07Å; V370-V374 VanDerWaalsContact O-N 3.1Å
371L92.1Very high94.2Very high3 Ų359.9 Ų59.92%0.01634%0.34CS..Hα-helixtrans-60.1-28.5-177.9-167.465.7000113.9T239 P282 P284 Y352 F364 P365 D367 S368 H373T239-L371 HydrophobicContact CG2-CD2 4.27Å; P282-L371 HydrophobicContact CB-CB 4Å; P282-L371 HydrophobicContact CB-CD2 3.51Å; P282-L371 HydrophobicContact CB-CG 3.68Å; P282-L371 HydrophobicContact CG-CB 4.29Å; P282-L371 HydrophobicContact CG-CD2 3.37Å; P282-L371 HydrophobicContact CG-CG 4.08Å; P284-L371 HydrophobicContact CG-CD1 3.43Å; P284-L371 VanDerWaalsContact CG-CD1 3.43Å; P284-L371 HydrophobicContact CG-CG 3.78Å; Y352-L371 HydrophobicContact CD2-CD1 4.46Å; Y352-L371 HydrophobicContact CE2-CD1 3.84Å; F364-L371 HydrophobicContact CD2-CD1 4.2Å; F364-L371 HydrophobicContact CE1-CD1 4.22Å; F364-L371 HydrophobicContact CE1-CD2 3.6Å; F364-L371 HydrophobicContact CE2-CD1 3.64Å; F364-L371 HydrophobicContact CE2-CD2 4Å; F364-L371 HydrophobicContact CE2-CG 4.48Å; F364-L371 HydrophobicContact CZ-CD1 3.69Å; F364-L371 HydrophobicContact CZ-CD2 3.2Å; F364-L371 HydrophobicContact CZ-CG 4.1Å; P365-L371 HydrophobicContact CG-CB 4.07Å; P365-L371 HydrophobicContact CG-CD1 3.75Å; P365-L371 HydrophobicContact CG-CG 4.48Å; D367-L371 PolarHBondContact O-N 2.77Å; S368-L371 PolarHBondContact O-N 3.2Å; L371-H373 VanDerWaalsContact C-N 3.29Å
372N91.1Very high94.3Very high99 Ų9961.9 Ų61.953%0.52936%0.356SS..Hα-helixtrans-72.4-20.8175.4-79.8-41.3000113.6P282 S368 S369 V370P282-N372 WeakPolarHBondContact CA-OD1 3.47Å; P282-N372 VanDerWaalsContact CB-OD1 3.31Å; P282-N372 WeakPolarHBondContact CB-OD1 3.48Å; S368-N372 PolarHBondContact O-N 2.98Å; S368-N372 PolarHBondContact O-ND2 3.02Å; S369-N372 PolarHBondContact O-N 3.25Å; V370-N372 PolarHBondContact O-N 2.87Å
373H93.4Very high94.5Very high128 Ų12854.5 Ų54.559%0.59332%0.32SS*.Hα-helixtrans-115.4-5.1-172.3-58.797.7000113.6P355 S369 V370 L371 V375P355-H373 HydrophobicContact CG-CB 4.21Å; P355-H373 WeakPolarHBondContact CG-O 3.41Å; S369-H373 PolarHBondContact O-ND1 2.89Å; V370-H373 PolarHBondContact O-N 3.12Å; L371-H373 VanDerWaalsContact C-N 3.29Å; H373-V375 PolarHBondContact O-N 2.67Å
374V96.7Very high94.7Very high15 Ų1552.7 Ų52.79%0.09131%0.305CS..PPolyproline II helixtrans-56138.8177.4-630000111.4P284 Y352 L361 V370 V376P284-V374 HydrophobicContact CB-CG2 3.8Å; P284-V374 HydrophobicContact CG-CG2 3.98Å; Y352-V374 HydrophobicContact CD1-CG2 4.12Å; Y352-V374 HydrophobicContact CD2-CG1 4.44Å; Y352-V374 HydrophobicContact CD2-CG2 4.18Å; Y352-V374 HydrophobicContact CG-CB 4.21Å; Y352-V374 HydrophobicContact CG-CG1 4.44Å; Y352-V374 HydrophobicContact CG-CG2 3.95Å; L361-V374 HydrophobicContact CD1-CG1 3.7Å; V370-V374 HydrophobicContact CG1-CG1 4.15Å; V370-V374 WeakPolarHBondContact O-CG1 3.24Å; V370-V374 PolarHBondContact O-N 3.07Å; V370-V374 VanDerWaalsContact O-N 3.1Å; V374-V376 HydrophobicContact CG2-CG2 4.43Å
375V97.5Very high94.9Very high82 Ų8258 Ų5850%0.49733%0.328SS..EExtended strand (participates in β ladder)trans-86.1116.7169.1179.30000107.9I353 P355 H373I353-V375 HydrophobicContact CB-CB 4.27Å; I353-V375 PolarHBondContact N-O 2.88Å; I353-V375 PolarHBondContact O-N 2.77Å; P355-V375 HydrophobicContact CB-CG2 4.34Å; H373-V375 PolarHBondContact O-N 2.67Å
376V98.1Very high95.1Very high22 Ų2260.6 Ų60.613%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-81.2125-179.8-1740000110.4P284 A349 Y352 V374 Y378P284-V376 HydrophobicContact CB-CG2 3.6Å; P284-V376 WeakPolarHBondContact O-CG2 3.36Å; A349-V376 HydrophobicContact CB-CG1 3.36Å; Y352-V376 HydrophobicContact CD1-CG1 4.35Å; Y352-V376 HydrophobicContact CD1-CG2 4.05Å; Y352-V376 HydrophobicContact CE1-CG1 4.26Å; Y352-V376 HydrophobicContact CE1-CG2 3.99Å; V374-V376 HydrophobicContact CG2-CG2 4.43Å; V376-Y378 HydrophobicContact CB-CD2 4.46Å; V376-Y378 HydrophobicContact CB-CE2 3.69Å; V376-Y378 HydrophobicContact CG1-CD1 4.27Å; V376-Y378 HydrophobicContact CG1-CD2 4.17Å; V376-Y378 HydrophobicContact CG1-CE1 3.72Å; V376-Y378 HydrophobicContact CG1-CE2 3.61Å; V376-Y378 HydrophobicContact CG1-CG 4.48Å; V376-Y378 WeakPolarHBondContact O-CD2 3.36Å
377V98.4Very high95.4Very high48 Ų4857.9 Ų57.929%0.29133%0.325SS..EExtended strand (participates in β ladder)trans-92.7126.7172.4-173.50000108.6K350 A351 I353K350-V377 HydrophobicContact CG-CB 4.41Å; K350-V377 HydrophobicContact CG-CG1 4.22Å; K350-V377 WeakPolarHBondContact CG-O 3.43Å; K350-V377 PolarHBondContact N-O 2.97Å; A351-V377 HydrophobicContact CB-CB 4.14Å; A351-V377 HydrophobicContact CB-CG2 4.35Å; A351-V377 PolarHBondContact N-O 3.36Å; A351-V377 PolarHBondContact O-N 2.84Å; I353-V377 HydrophobicContact CD1-CG2 4.05Å; I353-V377 HydrophobicContact CG1-CG2 3.54Å
378Y98.6Very high95.7Very high70 Ų7054.1 Ų54.128%0.27531%0.305SS..EExtended strand (participates in β ladder)trans-105.9143.8-178.6-65.9-82.1000112.1S285 W314 K347 I348 A349 V376S285-Y378 WeakPolarHBondContact CA-OH 2.85Å; W314-Y378 HydrophobicContact CB-CE1 3.92Å; W314-Y378 AromaticContact CD1-CE1 3.64Å; W314-Y378 HydrophobicContact CG-CE1 4.07Å; K347-Y378 HydrophobicContact CB-CD1 3.77Å; K347-Y378 HydrophobicContact CB-CG 4.23Å; K347-Y378 HydrophobicContact CD-CG 4.42Å; I348-Y378 CarbonylContact O-C 3.59Å; I348-Y378 VanDerWaalsContact O-CA 3.3Å; I348-Y378 WeakPolarHBondContact O-CA 3.44Å; A349-Y378 HydrophobicContact CB-CD1 4.06Å; A349-Y378 HydrophobicContact CB-CE1 3.73Å; V376-Y378 HydrophobicContact CB-CD2 4.46Å; V376-Y378 HydrophobicContact CB-CE2 3.69Å; V376-Y378 HydrophobicContact CG1-CD1 4.27Å; V376-Y378 HydrophobicContact CG1-CD2 4.17Å; V376-Y378 HydrophobicContact CG1-CE1 3.72Å; V376-Y378 HydrophobicContact CG1-CE2 3.61Å; V376-Y378 HydrophobicContact CG1-CG 4.48Å; V376-Y378 WeakPolarHBondContact O-CD2 3.36Å
379E98.3Very high96Very high65 Ų6558.5 Ų58.530%0.30432%0.321SS..EExtended strand (participates in β ladder)trans-89.8120.7153.9-16668-161.200107.6K347 I348 K350 L381 T407K347-E379 CarbonylContact C-O 3.5Å; K347-E379 WeakPolarHBondContact CA-O 3.35Å; I348-E379 HydrophobicContact CB-CB 4.39Å; I348-E379 PolarHBondContact N-O 2.88Å; I348-E379 PolarHBondContact O-N 2.75Å; K350-E379 HydrophobicContact CD-CB 4.24Å; K350-E379 IonicContact NZ-OE2 3.52Å; K350-E379 PolarHBondContact NZ-OE2 2.7Å; E379-L381 HydrophobicContact CG-CD2 4.14Å; E379-L381 HydrophobicContact CG-CG 4.47Å; E379-T407 HydrophobicContact CG-CG2 4.12Å
380T98.6Very high96.2Very high71 Ų7157.1 Ų57.144%0.43632%0.317SS..EExtended strand (participates in β ladder)trans-100.2126.7177.5-55.80000109.3E345 K347E345-T380 HydrophobicContact CB-CG2 4.17Å; K347-T380 HydrophobicContact CG-CG2 4.22Å
381L98.6Very high96.4Very high15 Ų1555.4 Ų55.48%0.07931%0.307CS..EExtended strand (participates in β ladder)trans-122.1152.3-179.3-58.1176.2000110.1E345 V346 I348 E379 G383 V403 F404 T407E345-L381 WeakPolarHBondContact CA-O 3.45Å; V346-L381 HydrophobicContact CG2-CB 3.91Å; V346-L381 PolarHBondContact N-O 3.25Å; V346-L381 PolarHBondContact O-N 2.84Å; I348-L381 HydrophobicContact CD1-CD1 3.84Å; E379-L381 HydrophobicContact CG-CD2 4.14Å; E379-L381 HydrophobicContact CG-CG 4.47Å; L381-G383 PolarHBondContact O-N 2.94Å; L381-V403 HydrophobicContact CD2-CG1 4.35Å; L381-F404 HydrophobicContact CD1-CB 4.33Å; L381-F404 HydrophobicContact CD1-CD2 4.09Å; L381-T407 HydrophobicContact CD1-CG2 4Å; L381-T407 HydrophobicContact CD2-CG2 4.47Å
382P98.2Very high96.4Very high79 Ų7960.3 Ų60.351%0.51333%0.325SS..EExtended strand (participates in β ladder)trans-61.6132.6172.226.8-34.1000110.2A400P382-A400 HydrophobicContact CG-CB 4.29Å
383G98Very high96.7Very high14 Ų1458.9 Ų58.914%0.14432%0.32CS..  trans-70.7161.1164.700000110L343 E344 L381L343-G383 WeakPolarHBondContact O-CA 3.45Å; E344-G383 WeakPolarHBondContact O-CA 3.49Å; E344-G383 PolarHBondContact O-N 3.18Å; L381-G383 PolarHBondContact O-N 2.94Å
384W98Very high96.8Very high14 Ų1454.2 Ų54.25%0.05330%0.297CS..  trans-103.5-10.1-170.250.393.7000115.1I337 L340 D341 V346 T386 P398 A400 A401 F404I337-W384 HydrophobicContact CD1-CH2 4.25Å; I337-W384 HydrophobicContact CD1-CZ2 4.45Å; I337-W384 HydrophobicContact CG1-CH2 3.71Å; I337-W384 HydrophobicContact CG1-CZ2 3.75Å; I337-W384 WeakPolarHBondContact O-CZ2 3.17Å; L340-W384 HydrophobicContact CB-CH2 3.56Å; L340-W384 HydrophobicContact CB-CZ2 3.66Å; L340-W384 HydrophobicContact CD1-CH2 4.15Å; L340-W384 HydrophobicContact CG-CH2 4.45Å; D341-W384 VanDerWaalsContact CA-NE1 3.35Å; D341-W384 PolarHBondContact OD1-NE1 3.21Å; V346-W384 HydrophobicContact CG1-CZ3 4.14Å; V346-W384 HydrophobicContact CG2-CZ3 4.25Å; W384-T386 PolarHBondContact NE1-O 2.8Å; W384-T386 WeakPolarHBondContact O-CB 3.37Å; W384-T386 PolarHBondContact O-N 3.42Å; W384-T386 PolarHBondContact O-OG1 3.24Å; W384-P398 HydrophobicContact CB-CB 3.9Å; W384-P398 HydrophobicContact CB-CG 4.47Å; W384-P398 HydrophobicContact CG-CB 4.34Å; W384-P398 HydrophobicContact CG-CG 4.5Å; W384-A400 HydrophobicContact CB-CB 3.75Å; W384-A401 HydrophobicContact CD2-CB 3.71Å; W384-A401 HydrophobicContact CE3-CB 3.94Å; W384-A401 HydrophobicContact CG-CB 4.01Å; W384-A401 HydrophobicContact CZ2-CB 4.42Å; W384-A401 HydrophobicContact CZ3-CB 4.38Å; W384-F404 HydrophobicContact CZ3-CB 4.11Å; W384-F404 HydrophobicContact CZ3-CG 4.31Å
385K97.1Very high96.9Very high122 Ų12260 Ų6053%0.5332%0.323SS..  trans4332.1176.5-67.6-164.7173.5-177.10114.6D341 E344D341-K385 CarbonylContact O-C 3.47Å; D341-K385 WeakPolarHBondContact O-CA 3.13Å; D341-K385 PolarHBondContact O-N 2.71Å; E344-K385 IonicContact OE1-NZ 2.77Å; E344-K385 PolarHBondContact OE1-NZ 2.81Å
386T97Very high96.9Very high77 Ų7761 Ų6147%0.47232%0.323SS..SBendtrans-145.2134.3-170.9-56.50000108.2D341 W384 T388 P398D341-T386 PolarHBondContact O-N 3.02Å; W384-T386 PolarHBondContact NE1-O 2.8Å; W384-T386 WeakPolarHBondContact O-CB 3.37Å; W384-T386 PolarHBondContact O-N 3.42Å; W384-T386 PolarHBondContact O-OG1 3.24Å; T386-T388 PolarHBondContact O-N 2.97Å; T386-P398 HydrophobicContact CG2-CG 3.88Å
387S97Very high96.9Very high74 Ų7460.2 Ų60.252%0.51732%0.317SS..  trans-62.6128.1179.6-1790000111.4D341 H389D341-S387 VanDerWaalsContact OD2-CA 3.32Å; D341-S387 WeakPolarHBondContact OD2-CA 3.4Å; S387-H389 WeakPolarHBondContact OG-CB 3.26Å; S387-H389 PolarHBondContact OG-N 2.86Å
388T97.1Very high96.8Very high0 Ų059.1 Ų59.10%031%0.311CS..  trans-90.3-11.7165.757.40000111.7D338 D341 T386 G390 C391 L397 P398 A401 T421D338-T388 VanDerWaalsContact CA-OG1 3.27Å; D338-T388 WeakPolarHBondContact CA-OG1 3.49Å; D341-T388 VanDerWaalsContact CG-N 3.32Å; D341-T388 WeakPolarHBondContact OD1-CB 3.47Å; D341-T388 VanDerWaalsContact OD1-CG2 3.24Å; D341-T388 WeakPolarHBondContact OD1-CG2 3.36Å; D341-T388 PolarHBondContact OD1-N 2.88Å; D341-T388 PolarHBondContact OD1-OG1 3.45Å; D341-T388 PolarHBondContact OD2-N 3.46Å; D341-T388 PolarHBondContact OD2-OG1 3.45Å; T386-T388 PolarHBondContact O-N 2.97Å; T388-G390 PolarHBondContact O-N 3.3Å; T388-C391 WeakPolarHBondContact O-CB 3.26Å; T388-C391 PolarHBondContact O-N 3Å; T388-C391 VanDerWaalsContact O-N 3.08Å; T388-C391 PolarHBondContact O-SG 3.41Å; T388-L397 HydrophobicContact CG2-CD2 3.84Å; T388-P398 HydrophobicContact CG2-CG 4.29Å; T388-A401 HydrophobicContact CG2-CB 4.25Å; T388-T421 WeakPolarHBondContact O-CB 3.38Å
389H93.7Very high96.8Very high120 Ų12061 Ų6156%0.55633%0.33SS*.THydrogen-bonded Turntrans-58127.6175.8-177-85.7000111.2S387 T421S387-H389 WeakPolarHBondContact OG-CB 3.26Å; S387-H389 PolarHBondContact OG-N 2.86Å; H389-T421 WeakPolarHBondContact CA-O 3.32Å
390G90.8Very high96.8Very high32 Ų3258.8 Ų58.833%0.3332%0.323SS..THydrogen-bonded Turntrans97.3-16.8-178.300000114T388 R392T388-G390 PolarHBondContact O-N 3.3Å; G390-R392 VanDerWaalsContact C-NH1 3.28Å; G390-R392 VanDerWaalsContact CA-NH1 3.32Å; G390-R392 WeakPolarHBondContact O-CG 3.33Å; G390-R392 PolarHBondContact O-N 3.44Å; G390-R392 PolarHBondContact O-NH1 3.26Å
391C95.5Very high96.8Very high13 Ų1355.4 Ų55.49%0.08830%0.303CS..  trans-61.4131.2172.5-60.30000110.2T388 E396 L397 T421 I429T388-C391 WeakPolarHBondContact O-CB 3.26Å; T388-C391 PolarHBondContact O-N 3Å; T388-C391 VanDerWaalsContact O-N 3.08Å; T388-C391 PolarHBondContact O-SG 3.41Å; C391-E396 VanDerWaalsContact CA-OE2 3.27Å; C391-E396 WeakPolarHBondContact CA-OE2 3.48Å; C391-E396 HydrophobicContact CB-CB 3.99Å; C391-E396 PolarHBondContact SG-O 3.44Å; C391-L397 HydrophobicContact CB-CD2 4.01Å; C391-T421 HydrophobicContact CB-CG2 4.32Å; C391-T421 PolarHBondContact O-OG1 3.17Å; C391-I429 HydrophobicContact CB-CD1 4Å
392R93.5Very high96.8Very high107 Ų10756.7 Ų56.740%0.40431%0.308SS..  trans-118.2-24.2-179.3-61.4-60.3177.6-1055.9112.7G390 E396 D426G390-R392 VanDerWaalsContact C-NH1 3.28Å; G390-R392 VanDerWaalsContact CA-NH1 3.32Å; G390-R392 WeakPolarHBondContact O-CG 3.33Å; G390-R392 PolarHBondContact O-N 3.44Å; G390-R392 PolarHBondContact O-NH1 3.26Å; R392-E396 PolarHBondContact N-OE2 3.09Å; R392-D426 VanDerWaalsContact CD-O 3.26Å; R392-D426 WeakPolarHBondContact CD-O 3.41Å; R392-D426 PolarHBondContact NE-O 3.39Å
393V96Very high96.8Very high68 Ų6855.4 Ų55.441%0.41230%0.298SS..SBendtrans-121.3155.3173.5-59.30000111.1E395 E396V393-E395 HydrophobicContact CG2-CB 4.38Å; V393-E395 PolarHBondContact O-N 2.95Å; V393-E396 HydrophobicContact CG2-CB 4.34Å; V393-E396 HydrophobicContact CG2-CG 3.61Å; V393-E396 PolarHBondContact N-OE2 3.44Å; V393-E396 PolarHBondContact O-N 3.36Å
394Y97.3Very high96.9Very high31 Ų3154.8 Ų54.812%0.12229%0.291CS..G310 helixtrans-60.7-34.7-174.7-177.5-110.2000111.7E396 L397 K402 V405 E406 I419 R431Y394-E396 PolarHBondContact O-N 2.85Å; Y394-L397 HydrophobicContact CD2-CD1 3.8Å; Y394-L397 HydrophobicContact CE2-CD1 4.07Å; Y394-L397 WeakPolarHBondContact O-CB 3.4Å; Y394-L397 PolarHBondContact O-N 3.4Å; Y394-L397 VanDerWaalsContact O-N 3.11Å; Y394-K402 HydrophobicContact CE1-CD 4.19Å; Y394-K402 HydrophobicContact CE1-CG 4.13Å; Y394-K402 HydrophobicContact CE2-CG 4.15Å; Y394-K402 WeakPolarHBondContact O-CE 3.27Å; Y394-K402 WeakPolarHBondContact OH-CB 3.47Å; Y394-V405 HydrophobicContact CE2-CG1 4.27Å; Y394-E406 WeakPolarHBondContact OH-CG 3.34Å; Y394-E406 PolarHBondContact OH-OE1 2.78Å; Y394-I419 HydrophobicContact CD2-CD1 3.83Å; Y394-I419 HydrophobicContact CE2-CD1 4.01Å; Y394-R431 HydrophobicContact CD2-CG 4.38Å; Y394-R431 HydrophobicContact CG-CG 4.48Å
395E97.3Very high96.9Very high136 Ų13654.1 Ų54.164%0.63629%0.289SS*.G310 helixtrans-63.8-26.6-178-65.567-145.700112.5V393 L397 K402V393-E395 HydrophobicContact CG2-CB 4.38Å; V393-E395 PolarHBondContact O-N 2.95Å; E395-L397 VanDerWaalsContact C-N 3.3Å; E395-L397 PolarHBondContact O-N 3.03Å; E395-K402 PolarHBondContact O-NZ 2.77Å
396E97.2Very high96.9Very high104 Ų10452.7 Ų52.749%0.48628%0.284SS..G310 helixtrans-75.8-16.6177.6-70.2169.516900113.1C391 R392 V393 Y394C391-E396 VanDerWaalsContact CA-OE2 3.27Å; C391-E396 WeakPolarHBondContact CA-OE2 3.48Å; C391-E396 HydrophobicContact CB-CB 3.99Å; C391-E396 PolarHBondContact SG-O 3.44Å; R392-E396 PolarHBondContact N-OE2 3.09Å; V393-E396 HydrophobicContact CG2-CB 4.34Å; V393-E396 HydrophobicContact CG2-CG 3.61Å; V393-E396 PolarHBondContact N-OE2 3.44Å; V393-E396 PolarHBondContact O-N 3.36Å; Y394-E396 PolarHBondContact O-N 2.85Å
397L98.1Very high97Very high4 Ų450.2 Ų50.22%0.02127%0.269CS..SBendtrans-66.4141178.7-67.9175000111.1T388 C391 Y394 E395 K402 I419 T421 I429T388-L397 HydrophobicContact CG2-CD2 3.84Å; C391-L397 HydrophobicContact CB-CD2 4.01Å; Y394-L397 HydrophobicContact CD2-CD1 3.8Å; Y394-L397 HydrophobicContact CE2-CD1 4.07Å; Y394-L397 WeakPolarHBondContact O-CB 3.4Å; Y394-L397 PolarHBondContact O-N 3.4Å; Y394-L397 VanDerWaalsContact O-N 3.11Å; E395-L397 VanDerWaalsContact C-N 3.3Å; E395-L397 PolarHBondContact O-N 3.03Å; L397-K402 HydrophobicContact CB-CG 3.87Å; L397-K402 WeakPolarHBondContact O-CE 3.46Å; L397-K402 PolarHBondContact O-NZ 3.19Å; L397-I419 HydrophobicContact CD1-CD1 4.11Å; L397-I419 HydrophobicContact CD1-CG2 4.5Å; L397-T421 HydrophobicContact CD2-CG2 4.03Å; L397-I429 HydrophobicContact CD1-CD1 3.8Å; L397-I429 HydrophobicContact CD2-CD1 3.72Å; L397-I429 HydrophobicContact CG-CD1 3.66Å
398P97.9Very high97.1Very high25 Ų2546.7 Ų46.716%0.16224%0.244CC..  trans-54.2145.2169.8-24.734.3000111.5W384 T386 T388 A400 A401 K402W384-P398 HydrophobicContact CB-CB 3.9Å; W384-P398 HydrophobicContact CB-CG 4.47Å; W384-P398 HydrophobicContact CG-CB 4.34Å; W384-P398 HydrophobicContact CG-CG 4.5Å; T386-P398 HydrophobicContact CG2-CG 3.88Å; T388-P398 HydrophobicContact CG2-CG 4.29Å; P398-A400 VanDerWaalsContact C-N 3.28Å; P398-A400 PolarHBondContact O-N 3.29Å; P398-A401 HydrophobicContact CB-CB 4.34Å; P398-A401 WeakPolarHBondContact O-CA 3.42Å; P398-A401 WeakPolarHBondContact O-CB 3.4Å; P398-A401 PolarHBondContact O-N 2.97Å; P398-K402 PolarHBondContact O-N 3.19Å
399T98.2Very high97.2Very high110 Ų11048.1 Ų48.168%0.67525%0.251SS*.Hα-helixtrans-54.6-42.7-177.6-550000112.6A401 K402 V403T399-A401 VanDerWaalsContact C-N 3.34Å; T399-A401 PolarHBondContact O-N 3.44Å; T399-K402 WeakPolarHBondContact O-CB 3.49Å; T399-K402 PolarHBondContact O-N 3.33Å; T399-V403 WeakPolarHBondContact O-CG2 3.35Å; T399-V403 PolarHBondContact O-N 2.95Å
400A98.4Very high97.4Very high19 Ų1950.9 Ų50.916%0.15726%0.261CS..Hα-helixtrans-67-31.6177.900000113.2P382 W384 P398 V403 F404P382-A400 HydrophobicContact CG-CB 4.29Å; W384-A400 HydrophobicContact CB-CB 3.75Å; P398-A400 VanDerWaalsContact C-N 3.28Å; P398-A400 PolarHBondContact O-N 3.29Å; A400-V403 PolarHBondContact O-N 3.46Å; A400-F404 PolarHBondContact O-N 3.22Å
401A98.4Very high97.8Very high0 Ų051.6 Ų51.60%026%0.257CS..Hα-helixtrans-69-38.4172.100000111.9I337 W384 T388 P398 T399 F404 V405I337-A401 HydrophobicContact CD1-CB 4.43Å; W384-A401 HydrophobicContact CD2-CB 3.71Å; W384-A401 HydrophobicContact CE3-CB 3.94Å; W384-A401 HydrophobicContact CG-CB 4.01Å; W384-A401 HydrophobicContact CZ2-CB 4.42Å; W384-A401 HydrophobicContact CZ3-CB 4.38Å; T388-A401 HydrophobicContact CG2-CB 4.25Å; P398-A401 HydrophobicContact CB-CB 4.34Å; P398-A401 WeakPolarHBondContact O-CA 3.42Å; P398-A401 WeakPolarHBondContact O-CB 3.4Å; P398-A401 PolarHBondContact O-N 2.97Å; T399-A401 VanDerWaalsContact C-N 3.34Å; T399-A401 PolarHBondContact O-N 3.44Å; A401-F404 WeakPolarHBondContact O-CB 3.37Å; A401-F404 PolarHBondContact O-N 3.02Å; A401-V405 WeakPolarHBondContact O-CG2 3.39Å; A401-V405 PolarHBondContact O-N 3.27Å; A401-V405 VanDerWaalsContact O-N 3.07Å
402K98.4Very high97.9Very high42 Ų4251.4 Ų51.418%0.18326%0.255CS..Hα-helixtrans-61.5-45.7172.3-67.3174176.51470111.5Y394 E395 L397 P398 T399 F404 V405 E406Y394-K402 HydrophobicContact CE1-CD 4.19Å; Y394-K402 HydrophobicContact CE1-CG 4.13Å; Y394-K402 HydrophobicContact CE2-CG 4.15Å; Y394-K402 WeakPolarHBondContact O-CE 3.27Å; Y394-K402 WeakPolarHBondContact OH-CB 3.47Å; E395-K402 PolarHBondContact O-NZ 2.77Å; L397-K402 HydrophobicContact CB-CG 3.87Å; L397-K402 WeakPolarHBondContact O-CE 3.46Å; L397-K402 PolarHBondContact O-NZ 3.19Å; P398-K402 PolarHBondContact O-N 3.19Å; T399-K402 WeakPolarHBondContact O-CB 3.49Å; T399-K402 PolarHBondContact O-N 3.33Å; K402-F404 VanDerWaalsContact C-N 3.27Å; K402-F404 PolarHBondContact O-N 3.17Å; K402-V405 PolarHBondContact O-N 3.08Å; K402-V405 VanDerWaalsContact O-N 3.12Å; K402-E406 WeakPolarHBondContact O-CB 3.36Å; K402-E406 WeakPolarHBondContact O-CG 2.88Å; K402-E406 PolarHBondContact O-N 3.27Å
403V98.5Very high98.1Very high51 Ų5153.4 Ų53.431%0.30927%0.274SS..Hα-helixtrans-58.3-39.9175.4170.70000111.4L381 T399 A400 T407L381-V403 HydrophobicContact CD2-CG1 4.35Å; T399-V403 WeakPolarHBondContact O-CG2 3.35Å; T399-V403 PolarHBondContact O-N 2.95Å; A400-V403 PolarHBondContact O-N 3.46Å; V403-T407 VanDerWaalsContact O-CB 3.24Å; V403-T407 WeakPolarHBondContact O-CB 3.08Å; V403-T407 PolarHBondContact O-N 2.94Å; V403-T407 PolarHBondContact O-OG1 3.25Å
404F98.7Very high98.2Very high1 Ų150.4 Ų50.40%0.00426%0.256CS..Hα-helixtrans-59.7-52.2173177.7-92.8000111.7A273 L315 L334 I337 L340 V346 I348 L381 W384 A400 A401 K402 E406 T407 V408A273-F404 HydrophobicContact CB-CE1 4.14Å; A273-F404 HydrophobicContact CB-CZ 4.35Å; L315-F404 HydrophobicContact CB-CZ 4.49Å; L315-F404 HydrophobicContact CD2-CE1 4.38Å; L315-F404 HydrophobicContact CD2-CE2 4.47Å; L315-F404 HydrophobicContact CD2-CZ 3.75Å; L334-F404 HydrophobicContact CD1-CE1 4.46Å; L334-F404 HydrophobicContact CD2-CD1 4.38Å; L334-F404 HydrophobicContact CD2-CE1 4.1Å; I337-F404 HydrophobicContact CD1-CD1 4.11Å; L340-F404 HydrophobicContact CD1-CZ 4.36Å; V346-F404 HydrophobicContact CB-CD2 4.42Å; V346-F404 HydrophobicContact CB-CE2 4.49Å; V346-F404 HydrophobicContact CG2-CD2 3.61Å; V346-F404 HydrophobicContact CG2-CE2 4.13Å; I348-F404 HydrophobicContact CD1-CD2 3.95Å; I348-F404 HydrophobicContact CD1-CE2 3.81Å; I348-F404 HydrophobicContact CG1-CD2 4.23Å; I348-F404 HydrophobicContact CG1-CE2 3.68Å; I348-F404 HydrophobicContact CG1-CZ 4.47Å; L381-F404 HydrophobicContact CD1-CB 4.33Å; L381-F404 HydrophobicContact CD1-CD2 4.09Å; W384-F404 HydrophobicContact CZ3-CB 4.11Å; W384-F404 HydrophobicContact CZ3-CG 4.31Å; A400-F404 PolarHBondContact O-N 3.22Å; A401-F404 WeakPolarHBondContact O-CB 3.37Å; A401-F404 PolarHBondContact O-N 3.02Å; K402-F404 VanDerWaalsContact C-N 3.27Å; K402-F404 PolarHBondContact O-N 3.17Å; F404-E406 PolarHBondContact O-N 2.82Å; F404-T407 PolarHBondContact O-N 3.49Å; F404-V408 HydrophobicContact CD1-CG2 4.37Å; F404-V408 HydrophobicContact CE1-CG2 4.05Å; F404-V408 HydrophobicContact CE2-CG2 4.49Å; F404-V408 HydrophobicContact CZ-CG2 4.12Å; F404-V408 WeakPolarHBondContact O-CG2 3.27Å; F404-V408 PolarHBondContact O-N 3.26Å
405V98.5Very high98.3Very high0 Ų050.9 Ų50.90%026%0.262CS..Hα-helixtrans-56.8-50.1178.7174.40000111.1L334 I337 Y394 A401 K402 T407 V408 E409 I416 I419L334-V405 HydrophobicContact CD2-CG2 3.91Å; I337-V405 HydrophobicContact CD1-CG2 3.92Å; Y394-V405 HydrophobicContact CE2-CG1 4.27Å; A401-V405 WeakPolarHBondContact O-CG2 3.39Å; A401-V405 PolarHBondContact O-N 3.27Å; A401-V405 VanDerWaalsContact O-N 3.07Å; K402-V405 PolarHBondContact O-N 3.08Å; K402-V405 VanDerWaalsContact O-N 3.12Å; V405-T407 VanDerWaalsContact C-N 3.32Å; V405-T407 PolarHBondContact O-N 3.11Å; V405-V408 PolarHBondContact O-N 3.27Å; V405-E409 WeakPolarHBondContact O-CG 3.44Å; V405-E409 PolarHBondContact O-N 2.7Å; V405-I416 HydrophobicContact CG1-CB 4.27Å; V405-I416 HydrophobicContact CG1-CD1 4Å; V405-I416 HydrophobicContact CG1-CG2 4.33Å; V405-I419 HydrophobicContact CG1-CD1 3.98Å; V405-I419 HydrophobicContact CG2-CD1 4.06Å
406E98.4Very high98.3Very high92 Ų9244.4 Ų44.443%0.4323%0.232SC..Hα-helixtrans-64.1-36.3-179.4-71.2162.9-16800112.2Y394 K402 F404 E409 K410Y394-E406 WeakPolarHBondContact OH-CG 3.34Å; Y394-E406 PolarHBondContact OH-OE1 2.78Å; K402-E406 WeakPolarHBondContact O-CB 3.36Å; K402-E406 WeakPolarHBondContact O-CG 2.88Å; K402-E406 PolarHBondContact O-N 3.27Å; F404-E406 PolarHBondContact O-N 2.82Å; E406-E409 PolarHBondContact O-N 3.18Å; E406-K410 VanDerWaalsContact O-CB 3.31Å; E406-K410 WeakPolarHBondContact O-CB 3.5Å; E406-K410 PolarHBondContact O-N 3.26Å
407T98.8Very high98.4Very high25 Ų2542.5 Ų42.515%0.15322%0.221CC..Hα-helixtrans-66.5-41.5175.1-59.40000111I348 E379 L381 V403 F404 V405 K410 L411I348-T407 HydrophobicContact CD1-CG2 3.96Å; E379-T407 HydrophobicContact CG-CG2 4.12Å; L381-T407 HydrophobicContact CD1-CG2 4Å; L381-T407 HydrophobicContact CD2-CG2 4.47Å; V403-T407 VanDerWaalsContact O-CB 3.24Å; V403-T407 WeakPolarHBondContact O-CB 3.08Å; V403-T407 PolarHBondContact O-N 2.94Å; V403-T407 PolarHBondContact O-OG1 3.25Å; F404-T407 PolarHBondContact O-N 3.49Å; V405-T407 VanDerWaalsContact C-N 3.32Å; V405-T407 PolarHBondContact O-N 3.11Å; T407-K410 PolarHBondContact O-N 3.22Å; T407-L411 HydrophobicContact CG2-CD1 3.94Å; T407-L411 HydrophobicContact CG2-CG 4.31Å; T407-L411 WeakPolarHBondContact O-CB 3.34Å; T407-L411 VanDerWaalsContact O-CG 3.27Å; T407-L411 WeakPolarHBondContact O-CG 2.98Å; T407-L411 PolarHBondContact O-N 3.2Å
408V98.7Very high98.4Very high0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-63.8-45.8175178.20000110.8I271 L315 I348 F404 V405 K410 L411 L412 I416I271-V408 HydrophobicContact CD1-CG1 4.27Å; L315-V408 HydrophobicContact CD2-CB 4.36Å; L315-V408 HydrophobicContact CD2-CG1 4.01Å; L315-V408 HydrophobicContact CD2-CG2 3.32Å; I348-V408 HydrophobicContact CD1-CG2 3.67Å; F404-V408 HydrophobicContact CD1-CG2 4.37Å; F404-V408 HydrophobicContact CE1-CG2 4.05Å; F404-V408 HydrophobicContact CE2-CG2 4.49Å; F404-V408 HydrophobicContact CZ-CG2 4.12Å; F404-V408 WeakPolarHBondContact O-CG2 3.27Å; F404-V408 PolarHBondContact O-N 3.26Å; V405-V408 PolarHBondContact O-N 3.27Å; V408-K410 VanDerWaalsContact C-N 3.3Å; V408-K410 PolarHBondContact O-N 2.73Å; V408-L411 PolarHBondContact O-N 3Å; V408-L412 HydrophobicContact CG1-CD1 3.63Å; V408-L412 HydrophobicContact CG1-CG 4.31Å; V408-L412 WeakPolarHBondContact O-CB 3.44Å; V408-L412 WeakPolarHBondContact O-CG 3.42Å; V408-L412 PolarHBondContact O-N 3.39Å; V408-I416 HydrophobicContact CB-CD1 3.94Å; V408-I416 HydrophobicContact CG1-CD1 3.78Å
409E98.5Very high98.4Very high30 Ų3041.5 Ų41.514%0.1421%0.213CC..Hα-helixtrans-56.5-45.2175-71.5-172.5126.500111.4V405 E406 L412 N413 P415 I416 R431V405-E409 WeakPolarHBondContact O-CG 3.44Å; V405-E409 PolarHBondContact O-N 2.7Å; E406-E409 PolarHBondContact O-N 3.18Å; E409-L412 PolarHBondContact O-N 2.94Å; E409-N413 VanDerWaalsContact O-CA 3.26Å; E409-N413 WeakPolarHBondContact O-CA 3.44Å; E409-N413 PolarHBondContact O-N 3.3Å; E409-P415 WeakPolarHBondContact OE1-CA 3.36Å; E409-I416 HydrophobicContact CG-CB 3.98Å; E409-I416 HydrophobicContact CG-CD1 3.82Å; E409-I416 HydrophobicContact CG-CG1 3.71Å; E409-I416 PolarHBondContact OE1-N 3.18Å; E409-R431 IonicContact OE1-CZ 2.68Å; E409-R431 IonicContact OE1-NH1 3.06Å; E409-R431 PolarHBondContact OE1-NH1 3.36Å; E409-R431 IonicContact OE1-NH2 3.85Å; E409-R431 IonicContact OE2-CZ 2.91Å; E409-R431 IonicContact OE2-NH1 2.7Å; E409-R431 PolarHBondContact OE2-NH1 3.23Å; E409-R431 VanDerWaalsContact OE2-NH1 3.08Å; E409-R431 IonicContact OE2-NH2 3.68Å; E409-R431 PolarHBondContact OE2-NH2 3.04Å
410K98.4Very high98.3Very high179 Ų17936.4 Ų36.478%0.77818%0.183SC*.Hα-helixtrans-64.4-44.1178.7-178-177.4176.4-1750112.6E406 T407 V408 L412E406-K410 VanDerWaalsContact O-CB 3.31Å; E406-K410 WeakPolarHBondContact O-CB 3.5Å; E406-K410 PolarHBondContact O-N 3.26Å; T407-K410 PolarHBondContact O-N 3.22Å; V408-K410 VanDerWaalsContact C-N 3.3Å; V408-K410 PolarHBondContact O-N 2.73Å; K410-L412 VanDerWaalsContact C-N 3.3Å; K410-L412 PolarHBondContact O-N 3.01Å
411L98.4Very high98.2Very high46 Ų4635.5 Ų35.524%0.24118%0.176CC..Hα-helixtrans-69.1-28.5-179-74.3173.2000112.9T317 I348 K350 T407 V408T317-L411 HydrophobicContact CG2-CB 4.21Å; T317-L411 HydrophobicContact CG2-CD1 4.25Å; I348-L411 HydrophobicContact CB-CD1 4.39Å; I348-L411 HydrophobicContact CD1-CD1 4.4Å; I348-L411 HydrophobicContact CG2-CD1 3.76Å; K350-L411 HydrophobicContact CB-CD1 4.27Å; K350-L411 HydrophobicContact CB-CD2 4.13Å; T407-L411 HydrophobicContact CG2-CD1 3.94Å; T407-L411 HydrophobicContact CG2-CG 4.31Å; T407-L411 WeakPolarHBondContact O-CB 3.34Å; T407-L411 VanDerWaalsContact O-CG 3.27Å; T407-L411 WeakPolarHBondContact O-CG 2.98Å; T407-L411 PolarHBondContact O-N 3.2Å; V408-L411 PolarHBondContact O-N 3Å
412L98.3Very high97.9Very high9 Ų936 Ų365%0.04718%0.18CC..Hα-helixtrans-96.9-24.9-179.1-63.5178.8000113T317 I320 R321 L332 V408 E409 K410 I414T317-L412 HydrophobicContact CG2-CD2 3.91Å; T317-L412 HydrophobicContact CG2-CG 4.16Å; I320-L412 HydrophobicContact CB-CD1 4.29Å; I320-L412 HydrophobicContact CB-CD2 3.84Å; I320-L412 HydrophobicContact CD1-CD1 4.42Å; I320-L412 HydrophobicContact CG2-CD1 3.62Å; I320-L412 HydrophobicContact CG2-CD2 3.77Å; I320-L412 HydrophobicContact CG2-CG 4.35Å; R321-L412 HydrophobicContact CG-CD2 3.72Å; L332-L412 HydrophobicContact CD1-CD1 3.5Å; L332-L412 VanDerWaalsContact CD1-CD1 3.5Å; V408-L412 HydrophobicContact CG1-CD1 3.63Å; V408-L412 HydrophobicContact CG1-CG 4.31Å; V408-L412 WeakPolarHBondContact O-CB 3.44Å; V408-L412 WeakPolarHBondContact O-CG 3.42Å; V408-L412 PolarHBondContact O-N 3.39Å; E409-L412 PolarHBondContact O-N 2.94Å; K410-L412 VanDerWaalsContact C-N 3.3Å; K410-L412 PolarHBondContact O-N 3.01Å; L412-I414 HydrophobicContact CB-CB 4.31Å; L412-I414 HydrophobicContact CB-CD1 4.05Å; L412-I414 HydrophobicContact CB-CG1 4.11Å; L412-I414 WeakPolarHBondContact O-CG1 3.46Å; L412-I414 PolarHBondContact O-N 3.38Å
413N98.2Very high97.1Very high149 Ų14938.3 Ų38.380%0.79721%0.208SC*.THydrogen-bonded Turntrans5539.2-166.4-167.645.9000112.5E409E409-N413 VanDerWaalsContact O-CA 3.26Å; E409-N413 WeakPolarHBondContact O-CA 3.44Å; E409-N413 PolarHBondContact O-N 3.3Å
414I98.4Very high96.3Very high5 Ų538.3 Ų38.33%0.02621%0.209CC..  trans-132.9131.4178.7-50.2163.8000108H324 F329 L332 L412H324-I414 HydrophobicContact CB-CD1 3.69Å; H324-I414 WeakPolarHBondContact ND1-CD1 3.14Å; F329-I414 HydrophobicContact CB-CG2 4.35Å; L332-I414 HydrophobicContact CD1-CB 4.1Å; L332-I414 HydrophobicContact CD1-CD1 4.25Å; L332-I414 HydrophobicContact CD1-CG2 4.15Å; L332-I414 HydrophobicContact CD2-CG2 4.32Å; L332-I414 HydrophobicContact CG-CB 4.24Å; L332-I414 HydrophobicContact CG-CG2 3.73Å; L412-I414 HydrophobicContact CB-CB 4.31Å; L412-I414 HydrophobicContact CB-CD1 4.05Å; L412-I414 HydrophobicContact CB-CG1 4.11Å; L412-I414 WeakPolarHBondContact O-CG1 3.46Å; L412-I414 PolarHBondContact O-N 3.38Å
415P98.4Very high95.4Very high41 Ų4140.5 Ų40.527%0.26622%0.218SC..  trans-69137.4179.227.7-34.3000111.9N330 A331 L332 E409 V433N330-P415 VanDerWaalsContact O-CG 3.29Å; N330-P415 WeakPolarHBondContact O-CG 3.46Å; A331-P415 CarbonylContact C-O 3.55Å; A331-P415 VanDerWaalsContact CA-O 3.25Å; A331-P415 WeakPolarHBondContact CA-O 3.46Å; A331-P415 HydrophobicContact CB-CG 4.26Å; L332-P415 PolarHBondContact N-O 2.79Å; E409-P415 WeakPolarHBondContact OE1-CA 3.36Å; P415-V433 HydrophobicContact CB-CB 3.85Å; P415-V433 HydrophobicContact CB-CG2 3.76Å
416I98.6Very high94.8Very high0 Ų045.9 Ų45.90%025%0.247CC..EExtended strand (participates in β ladder)trans-92.3104.4170.4-65.8172.7000108L332 L334 V405 V408 E409 I419 R431L332-I416 HydrophobicContact CB-CG1 4.16Å; L332-I416 CarbonylContact O-C 3.49Å; L334-I416 HydrophobicContact CB-CD1 4.44Å; L334-I416 HydrophobicContact CB-CG2 3.75Å; L334-I416 HydrophobicContact CD2-CD1 4.36Å; V405-I416 HydrophobicContact CG1-CB 4.27Å; V405-I416 HydrophobicContact CG1-CD1 4Å; V405-I416 HydrophobicContact CG1-CG2 4.33Å; V408-I416 HydrophobicContact CB-CD1 3.94Å; V408-I416 HydrophobicContact CG1-CD1 3.78Å; E409-I416 HydrophobicContact CG-CB 3.98Å; E409-I416 HydrophobicContact CG-CD1 3.82Å; E409-I416 HydrophobicContact CG-CG1 3.71Å; E409-I416 PolarHBondContact OE1-N 3.18Å; I416-I419 HydrophobicContact CG2-CD1 4.45Å; I416-I419 HydrophobicContact CG2-CG1 3.73Å; I416-R431 PolarHBondContact O-NH1 2.88Å
417R98.1Very high94.4Very high65 Ų6541.6 Ų41.625%0.24523%0.227CC..EExtended strand (participates in β ladder)trans-89-32.8-176.4-178169.6-179.2-156.8-2113.4Y268 A331 L332 R431 V433Y268-R417 PolarHBondContact OH-NH1 2.72Å; A331-R417 HydrophobicContact CB-CB 3.84Å; L332-R417 PolarHBondContact O-N 3.09Å; R417-R431 PolarHBondContact O-N 2.93Å; R417-V433 HydrophobicContact CB-CG2 3.68Å; R417-V433 HydrophobicContact CG-CG2 4.06Å
418W98.1Very high94.1Very high7 Ų741.4 Ų41.43%0.02723%0.225CC..EExtended strand (participates in β ladder)trans-120.7130.9-179-58.3-85.1000110.3L25 L29 Y268 A331 L332 A333 L334 I428 I429L25-W418 HydrophobicContact CD1-CD2 3.63Å; L25-W418 HydrophobicContact CD1-CE3 3.96Å; L25-W418 HydrophobicContact CD1-CG 3.9Å; L25-W418 HydrophobicContact CD1-CZ2 4.31Å; L25-W418 HydrophobicContact CD1-CZ3 4.4Å; L25-W418 HydrophobicContact CD2-CE3 4.39Å; L25-W418 HydrophobicContact CD2-CZ3 4.48Å; L29-W418 HydrophobicContact CD2-CH2 4.48Å; L29-W418 HydrophobicContact CD2-CZ2 3.84Å; Y268-W418 AromaticContact CD1-CH2 3.58Å; Y268-W418 HydrophobicContact CD1-CH2 3.58Å; Y268-W418 AromaticContact CD1-CZ3 3.61Å; Y268-W418 HydrophobicContact CD1-CZ3 3.61Å; Y268-W418 AromaticContact CD2-CH2 3.96Å; Y268-W418 HydrophobicContact CD2-CH2 3.96Å; Y268-W418 HydrophobicContact CD2-CZ3 4.4Å; Y268-W418 AromaticContact CE1-CH2 3.59Å; Y268-W418 HydrophobicContact CE1-CH2 3.59Å; Y268-W418 HydrophobicContact CE1-CZ3 4.06Å; Y268-W418 AromaticContact CE2-CH2 3.97Å; Y268-W418 HydrophobicContact CE2-CH2 3.97Å; Y268-W418 AromaticContact CG-CH2 3.75Å; Y268-W418 HydrophobicContact CG-CH2 3.75Å; Y268-W418 AromaticContact CG-CZ3 3.78Å; Y268-W418 HydrophobicContact CG-CZ3 3.78Å; Y268-W418 AromaticContact CZ-CH2 3.76Å; A331-W418 HydrophobicContact CB-CZ3 4.31Å; L332-W418 PolarHBondContact O-N 2.92Å; A333-W418 CarbonylContact C-O 3.56Å; A333-W418 WeakPolarHBondContact CA-O 3.32Å; A333-W418 HydrophobicContact CB-CB 3.8Å; A333-W418 HydrophobicContact CB-CD2 4.48Å; A333-W418 HydrophobicContact CB-CE3 4Å; A333-W418 HydrophobicContact CB-CG 4.45Å; L334-W418 PolarHBondContact N-O 3Å; W418-I428 HydrophobicContact CB-CG2 3.88Å; W418-I428 HydrophobicContact CG-CG2 4.31Å; W418-I429 WeakPolarHBondContact CA-O 3.33Å
419I98.2Very high94Very high0 Ų041.5 Ų41.50%023%0.225CC..EExtended strand (participates in β ladder)trans-124.2112.6177.4-55.9163.5000108.4L334 I337 Y394 L397 V405 I416 T421 I428 I429L334-I419 CarbonylContact O-C 3.57Å; L334-I419 WeakPolarHBondContact O-CA 3.34Å; I337-I419 HydrophobicContact CD1-CG2 4.43Å; I337-I419 HydrophobicContact CG2-CG2 4Å; Y394-I419 HydrophobicContact CD2-CD1 3.83Å; Y394-I419 HydrophobicContact CE2-CD1 4.01Å; L397-I419 HydrophobicContact CD1-CD1 4.11Å; L397-I419 HydrophobicContact CD1-CG2 4.5Å; V405-I419 HydrophobicContact CG1-CD1 3.98Å; V405-I419 HydrophobicContact CG2-CD1 4.06Å; I416-I419 HydrophobicContact CG2-CD1 4.45Å; I416-I419 HydrophobicContact CG2-CG1 3.73Å; I419-T421 HydrophobicContact CG2-CG2 4.46Å; I419-I428 CarbonylContact O-C 3.58Å; I419-I428 WeakPolarHBondContact O-CA 3.36Å; I419-I429 HydrophobicContact CB-CB 4.24Å; I419-I429 PolarHBondContact N-O 2.79Å; I419-I429 PolarHBondContact O-N 3.38Å
420G96.3Very high93.9Very high4 Ų444.7 Ų44.74%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-84.411717900000111.6L334 K336 I337 S427L334-G420 PolarHBondContact O-N 2.85Å; K336-G420 PolarHBondContact N-O 2.76Å; I337-G420 WeakPolarHBondContact CG2-O 3.49Å; I337-G420 PolarHBondContact N-O 2.65Å; G420-S427 WeakPolarHBondContact CA-O 3.36Å
421T96.1Very high93.8Very high0 Ų038.1 Ų38.10%021%0.212CC..  trans-10820.6-17854.30000112.8I337 T388 H389 C391 L397 I419 S427 I429I337-T421 HydrophobicContact CG2-CG2 4.1Å; T388-T421 WeakPolarHBondContact O-CB 3.38Å; H389-T421 WeakPolarHBondContact CA-O 3.32Å; C391-T421 HydrophobicContact CB-CG2 4.32Å; C391-T421 PolarHBondContact O-OG1 3.17Å; L397-T421 HydrophobicContact CD2-CG2 4.03Å; I419-T421 HydrophobicContact CG2-CG2 4.46Å; T421-S427 PolarHBondContact N-O 2.93Å; T421-I429 HydrophobicContact CG2-CD1 3.84Å; T421-I429 HydrophobicContact CG2-CG1 4.3Å
422G91Very high93.4Very high9 Ų942.4 Ų42.49%0.09325%0.246CC..SBendtrans165.1-178.4-178.900000112.3K24 D338K24-G422 PolarHBondContact NZ-O 3.36Å; D338-G422 PolarHBondContact OD1-N 3.13Å
423A82.8Confident92.7Very high92 Ų9246.9 Ų46.976%0.7627%0.274SS*.SBendtrans-77.2-38.8-176.400000113.7K24K24-A423 WeakPolarHBondContact CE-O 3.24Å
424S81.5Confident92.4Very high50 Ų5041.8 Ų41.835%0.3525%0.248SC..SBendtrans-67149.8-175.272.90000112.2K24 D426 S427K24-S424 VanDerWaalsContact CE-C 3.46Å; K24-S424 WeakPolarHBondContact CE-O 3.37Å; K24-S424 PolarHBondContact NZ-O 3.37Å; S424-D426 PolarHBondContact O-N 2.77Å; S424-S427 WeakPolarHBondContact O-CB 3.45Å; S424-S427 PolarHBondContact O-N 3.23Å; S424-S427 PolarHBondContact OG-N 2.98Å; S424-S427 PolarHBondContact OG-OG 3.47Å
425R80Confident92.1Very high47 Ų4743.7 Ų43.718%0.17726%0.259CS..THydrogen-bonded Turntrans-49.8-43.2174.1-174.7-169.1176155.35.9112.5D27 L28 E31 S427D27-R425 PolarHBondContact O-NH2 3.3Å; D27-R425 IonicContact OD1-NH1 3.98Å; D27-R425 WeakPolarHBondContact OD2-CD 3.04Å; D27-R425 IonicContact OD2-NE 2.98Å; L28-R425 VanDerWaalsContact CA-NH2 3.34Å; L28-R425 PolarHBondContact O-NH2 3.45Å; L28-R425 VanDerWaalsContact O-NH2 3.14Å; E31-R425 VanDerWaalsContact CD-NH1 3.34Å; E31-R425 IonicContact OE1-CZ 2.65Å; E31-R425 IonicContact OE1-NE 3.72Å; E31-R425 IonicContact OE1-NH1 3.78Å; E31-R425 PolarHBondContact OE1-NH1 2.68Å; E31-R425 IonicContact OE1-NH2 2.85Å; E31-R425 PolarHBondContact OE1-NH2 2.72Å; E31-R425 IonicContact OE2-CZ 2.73Å; E31-R425 IonicContact OE2-NH2 3.13Å; E31-R425 PolarHBondContact OE2-NH2 3.32Å; R425-S427 PolarHBondContact O-N 3.22Å
426D85.4Confident91.8Very high114 Ų11443.9 Ų43.961%0.6126%0.259SS*.THydrogen-bonded Turntrans-68.4-12.4-179.6-53.1-35.7000113.7R392 S424 I428R392-D426 VanDerWaalsContact CD-O 3.26Å; R392-D426 WeakPolarHBondContact CD-O 3.41Å; R392-D426 PolarHBondContact NE-O 3.39Å; S424-D426 PolarHBondContact O-N 2.77Å; D426-I428 PolarHBondContact O-N 3.25Å
427S89.9Confident91.4Very high1 Ų146.5 Ų46.51%0.00727%0.274CS..SBendtrans-91.751.8174.5-52.60000110.7K24 G420 T421 S424 R425K24-S427 PolarHBondContact NZ-O 3.35Å; G420-S427 WeakPolarHBondContact CA-O 3.36Å; T421-S427 PolarHBondContact N-O 2.93Å; S424-S427 WeakPolarHBondContact O-CB 3.45Å; S424-S427 PolarHBondContact O-N 3.23Å; S424-S427 PolarHBondContact OG-N 2.98Å; S424-S427 PolarHBondContact OG-OG 3.47Å; R425-S427 PolarHBondContact O-N 3.22Å
428I93.9Very high90.9Very high22 Ų2245.3 Ų45.311%0.11328%0.276CS..EExtended strand (participates in β ladder)trans-131.1121.6170.5-63.7178000108.3K24 L28 W418 I419 D426 I430K24-I428 HydrophobicContact CD-CD1 3.77Å; K24-I428 HydrophobicContact CD-CG1 4.08Å; K24-I428 VanDerWaalsContact CE-CG1 3.49Å; K24-I428 HydrophobicContact CG-CD1 3.9Å; L28-I428 HydrophobicContact CD2-CD1 4.05Å; L28-I428 HydrophobicContact CD2-CG2 4.16Å; W418-I428 HydrophobicContact CB-CG2 3.88Å; W418-I428 HydrophobicContact CG-CG2 4.31Å; I419-I428 CarbonylContact O-C 3.58Å; I419-I428 WeakPolarHBondContact O-CA 3.36Å; D426-I428 PolarHBondContact O-N 3.25Å; I428-I430 HydrophobicContact CG2-CG1 4.38Å
429I96.5Very high90.5Very high1 Ų147.9 Ų47.91%0.00529%0.293CS..EExtended strand (participates in β ladder)trans-79.1132.3167.3-59.9169000108.2C391 L397 W418 I419 T421 R431C391-I429 HydrophobicContact CB-CD1 4Å; L397-I429 HydrophobicContact CD1-CD1 3.8Å; L397-I429 HydrophobicContact CD2-CD1 3.72Å; L397-I429 HydrophobicContact CG-CD1 3.66Å; W418-I429 WeakPolarHBondContact CA-O 3.33Å; I419-I429 HydrophobicContact CB-CB 4.24Å; I419-I429 PolarHBondContact N-O 2.79Å; I419-I429 PolarHBondContact O-N 3.38Å; T421-I429 HydrophobicContact CG2-CD1 3.84Å; T421-I429 HydrophobicContact CG2-CG1 4.3Å; I429-R431 HydrophobicContact CG2-CG 4.45Å
430I96.3Very high89.9Confident98 Ų9851.3 Ų51.350%0.50331%0.314SS..EExtended strand (participates in β ladder)trans-110.6117.2176.8-52.6178.7000108.8L28 I428L28-I430 HydrophobicContact CD2-CD1 4.28Å; I428-I430 HydrophobicContact CG2-CG1 4.38Å
431R96.4Very high89.4Confident40 Ų4054.9 Ų54.915%0.15134%0.335CS..  trans-95.5151177.4-68.317167.6-150.811.5111.5Y394 E409 I416 R417 I429 V433Y394-R431 HydrophobicContact CD2-CG 4.38Å; Y394-R431 HydrophobicContact CG-CG 4.48Å; E409-R431 IonicContact OE1-CZ 2.68Å; E409-R431 IonicContact OE1-NH1 3.06Å; E409-R431 PolarHBondContact OE1-NH1 3.36Å; E409-R431 IonicContact OE1-NH2 3.85Å; E409-R431 IonicContact OE2-CZ 2.91Å; E409-R431 IonicContact OE2-NH1 2.7Å; E409-R431 PolarHBondContact OE2-NH1 3.23Å; E409-R431 VanDerWaalsContact OE2-NH1 3.08Å; E409-R431 IonicContact OE2-NH2 3.68Å; E409-R431 PolarHBondContact OE2-NH2 3.04Å; I416-R431 PolarHBondContact O-NH1 2.88Å; R417-R431 PolarHBondContact O-N 2.93Å; I429-R431 HydrophobicContact CG2-CG 4.45Å; R431-V433 HydrophobicContact CB-CG1 4.09Å; R431-V433 HydrophobicContact CB-CG2 4.39Å; R431-V433 PolarHBondContact O-N 2.77Å
432S89Confident88.9Confident136 Ų13659.5 Ų59.595%0.95136%0.362SS*.  trans-92.382.7170-61.90000108.8
433V83.7Confident88.7Confident104 Ų10464.1 Ų64.163%0.6339%0.387SS*.  trans-122.20-179.9-68.60000111.6P415 R417 R431P415-V433 HydrophobicContact CB-CB 3.85Å; P415-V433 HydrophobicContact CB-CG2 3.76Å; R417-V433 HydrophobicContact CB-CG2 3.68Å; R417-V433 HydrophobicContact CG-CG2 4.06Å; R431-V433 HydrophobicContact CB-CG1 4.09Å; R431-V433 HydrophobicContact CB-CG2 4.39Å; R431-V433 PolarHBondContact O-N 2.77Å

Retrieved 433 of 433 residues in 1081.7 ms (Link to these results)

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