A0A087Y2L8_POEFO Loading...

V-type proton ATPase subunit C

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment. Subunit C is necessary for the assembly of the catalytic sector of the enzyme and is likely to have a specific function in its catalytic activity.

AlphaFold DB , UniProt , Accession A0A087Y2L8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 383 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
1M56.8Low78.5Confident119 Ų11921.3 Ų21.359%0.58612%0.115SC*.  0121.10-84.6-179-78.900106.8Q323 K326M1-Q323 PolarHBondContact O-NE2 2.97Å; M1-K326 HydrophobicContact SD-CB 4.42Å; M1-K326 HydrophobicContact SD-CG 4.43Å
2T69.6Low77.5Confident52 Ų5228.2 Ų28.232%0.31915%0.146SC..  trans-108.5-5.4-170.250.80000113.5D375 C376 N377T2-D375 PolarHBondContact OG1-OD1 3.5Å; T2-C376 WeakPolarHBondContact O-CB 3.16Å; T2-C376 PolarHBondContact O-N 3.35Å; T2-N377 HydrophobicContact CG2-CB 4.45Å
3E83.6Confident76.5Confident39 Ų3938.8 Ų38.818%0.18219%0.191CC..EExtended strand (participates in β ladder)trans-89129.4178.8-176.8172.9178.900110.5W5 M329 K373E3-W5 PolarHBondContact OE1-NE1 3.01Å; E3-M329 HydrophobicContact CG-CE 4.43Å; E3-M329 VanDerWaalsContact OE2-CE 3.26Å; E3-M329 WeakPolarHBondContact OE2-CE 3.2Å; E3-K373 VanDerWaalsContact CD-CE 3.41Å; E3-K373 HydrophobicContact CG-CD 4.43Å; E3-K373 HydrophobicContact CG-CG 4.34Å; E3-K373 WeakPolarHBondContact OE1-CD 3.25Å; E3-K373 WeakPolarHBondContact OE1-CE 3.23Å; E3-K373 IonicContact OE1-NZ 3.07Å; E3-K373 PolarHBondContact OE1-NZ 3.09Å; E3-K373 IonicContact OE2-NZ 2.95Å; E3-K373 PolarHBondContact OE2-NZ 3.13Å
4F85.2Confident76.2Confident0 Ų040.6 Ų40.60%021%0.205CC..EExtended strand (participates in β ladder)trans-124.8144.9173.3-63.1-91.1000110.4V99 L321 L322 Q323 I374F4-V99 HydrophobicContact CE2-CB 4.46Å; F4-V99 HydrophobicContact CE2-CG1 4.28Å; F4-V99 HydrophobicContact CE2-CG2 4.33Å; F4-V99 HydrophobicContact CZ-CB 4.2Å; F4-V99 HydrophobicContact CZ-CG1 3.62Å; F4-V99 HydrophobicContact CZ-CG2 4.47Å; F4-L321 HydrophobicContact CB-CD1 3.74Å; F4-L321 HydrophobicContact CB-CG 4.21Å; F4-L321 HydrophobicContact CD1-CD1 4.23Å; F4-L321 HydrophobicContact CD1-CD2 3.63Å; F4-L321 HydrophobicContact CD1-CG 3.83Å; F4-L321 HydrophobicContact CE1-CD2 3.92Å; F4-L321 HydrophobicContact CG-CD1 4.25Å; F4-L321 HydrophobicContact CG-CD2 4.33Å; F4-L321 HydrophobicContact CG-CG 4.36Å; F4-L322 CarbonylContact C-O 3.27Å; F4-L322 WeakPolarHBondContact CA-O 3.29Å; F4-Q323 HydrophobicContact CD1-CB 3.82Å; F4-Q323 HydrophobicContact CD1-CG 4Å; F4-Q323 HydrophobicContact CE1-CB 3.89Å; F4-Q323 HydrophobicContact CE1-CG 3.87Å; F4-I374 HydrophobicContact CB-CB 4.27Å; F4-I374 PolarHBondContact N-O 3.43Å; F4-I374 PolarHBondContact O-N 3.41Å
5W87.1Confident76.1Confident0 Ų040.4 Ų40.40%021%0.208CC..EExtended strand (participates in β ladder)trans-111113.7174-61.3-7.1000108.1E3 L322 P324 M329 L332 R333 Y371E3-W5 PolarHBondContact OE1-NE1 3.01Å; W5-L322 HydrophobicContact CB-CB 4.43Å; W5-L322 PolarHBondContact N-O 3.31Å; W5-L322 PolarHBondContact O-N 2.97Å; W5-P324 HydrophobicContact CD2-CB 4.45Å; W5-P324 HydrophobicContact CD2-CG 4.02Å; W5-P324 HydrophobicContact CG-CG 4.33Å; W5-P324 HydrophobicContact CH2-CB 4.35Å; W5-P324 HydrophobicContact CZ2-CB 4.22Å; W5-P324 HydrophobicContact CZ2-CG 4.02Å; W5-M329 HydrophobicContact CH2-CB 3.97Å; W5-M329 HydrophobicContact CH2-CG 4.05Å; W5-M329 HydrophobicContact CZ2-CB 4.15Å; W5-M329 HydrophobicContact CZ2-CE 4.39Å; W5-M329 HydrophobicContact CZ2-CG 3.84Å; W5-M329 HydrophobicContact CZ2-SD 4.26Å; W5-L332 HydrophobicContact CE3-CD2 3.87Å; W5-L332 HydrophobicContact CE3-CG 4.48Å; W5-L332 HydrophobicContact CH2-CD2 4.34Å; W5-L332 HydrophobicContact CZ3-CB 4.29Å; W5-L332 HydrophobicContact CZ3-CD2 3.58Å; W5-L332 HydrophobicContact CZ3-CG 3.93Å; W5-R333 HydrophobicContact CH2-CG 3.67Å; W5-R333 HydrophobicContact CZ3-CG 3.77Å; W5-Y371 HydrophobicContact CB-CD2 4.46Å; W5-Y371 HydrophobicContact CB-CE2 3.93Å; W5-Y371 AromaticContact CD2-CE2 3.98Å; W5-Y371 HydrophobicContact CD2-CE2 3.98Å; W5-Y371 HydrophobicContact CE3-CE2 4.41Å; W5-Y371 AromaticContact CG-CE2 3.74Å; W5-Y371 HydrophobicContact CG-CE2 3.74Å
6L85.8Confident76.1Confident0 Ų042.9 Ų42.90%022%0.219CC..EExtended strand (participates in β ladder)trans-90.6114.7174.3-176.757.4000108.1F38 K298 V302 L321 Y372 I374L6-F38 HydrophobicContact CD1-CB 3.95Å; L6-F38 HydrophobicContact CD1-CD1 3.97Å; L6-F38 HydrophobicContact CD1-CD2 4.08Å; L6-F38 HydrophobicContact CD1-CE1 4.5Å; L6-F38 HydrophobicContact CD1-CG 3.73Å; L6-F38 HydrophobicContact CD2-CE1 4.38Å; L6-F38 HydrophobicContact CD2-CZ 4.41Å; L6-K298 HydrophobicContact CD2-CB 4.37Å; L6-V302 HydrophobicContact CD2-CG2 3.53Å; L6-V302 HydrophobicContact CG-CG2 3.74Å; L6-L321 HydrophobicContact CB-CD1 4.39Å; L6-L321 HydrophobicContact CD1-CD1 4.34Å; L6-Y372 PolarHBondContact N-O 2.91Å; L6-Y372 PolarHBondContact O-N 2.73Å; L6-I374 HydrophobicContact CB-CD1 4.23Å; L6-I374 HydrophobicContact CD2-CD1 4.18Å
7I84.6Confident76.2Confident0 Ų045.1 Ų45.10%023%0.228CC..EExtended strand (participates in β ladder)trans-119145.7-177.3-59.3-173000109.2A319 M320 L322 L336 Y369 V370 Y371I7-A319 WeakPolarHBondContact O-CA 3.48Å; I7-M320 HydrophobicContact CB-CG 4.2Å; I7-M320 PolarHBondContact N-O 2.83Å; I7-M320 WeakPolarHBondContact O-CG 3.36Å; I7-M320 PolarHBondContact O-N 2.64Å; I7-M320 VanDerWaalsContact O-O 3.13Å; I7-L322 HydrophobicContact CB-CD1 3.86Å; I7-L322 HydrophobicContact CD1-CD1 3.39Å; I7-L322 HydrophobicContact CG1-CD1 3.61Å; I7-L336 HydrophobicContact CD1-CD1 3.54Å; I7-L336 HydrophobicContact CD1-CD2 4.34Å; I7-Y369 HydrophobicContact CD1-CD2 4.12Å; I7-Y369 HydrophobicContact CD1-CE2 3.6Å; I7-Y369 HydrophobicContact CG1-CD2 4.3Å; I7-Y369 HydrophobicContact CG1-CE2 4.13Å; I7-Y369 HydrophobicContact CG2-CD2 3.57Å; I7-Y369 HydrophobicContact CG2-CE2 4.15Å; I7-Y369 HydrophobicContact CG2-CG 4.11Å; I7-V370 VanDerWaalsContact CA-O 3.29Å; I7-V370 WeakPolarHBondContact CA-O 3.36Å; I7-Y371 HydrophobicContact CG1-CD2 4.28Å
8S82.8Confident76.3Confident0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-127.6137.7168.5179.70000111.1S306 F317 V370S8-S306 VanDerWaalsContact CB-OG 3.29Å; S8-S306 WeakPolarHBondContact CB-OG 3.48Å; S8-S306 PolarHBondContact OG-OG 3.21Å; S8-F317 WeakPolarHBondContact OG-CD2 3.47Å; S8-V370 PolarHBondContact N-O 3.25Å; S8-V370 VanDerWaalsContact N-O 3.11Å
9A80.9Confident76.5Confident0 Ų042.3 Ų42.30%021%0.212CC..EExtended strand (participates in β ladder)trans-134.4153.2-177.300000110.6T18 F317 Q318 Y340A9-T18 HydrophobicContact CB-CG2 3.76Å; A9-F317 WeakPolarHBondContact O-CA 3.22Å; A9-Q318 PolarHBondContact N-O 2.94Å; A9-Q318 PolarHBondContact O-N 3.49Å; A9-Y340 HydrophobicContact CB-CD1 4.4Å; A9-Y340 HydrophobicContact CB-CE1 3.54Å; A9-Y340 HydrophobicContact CB-CE2 4.35Å; A9-Y340 VanDerWaalsContact CB-CZ 3.49Å; A9-Y340 WeakPolarHBondContact CB-OH 3.28Å
10P76.2Confident76.7Confident18 Ų1844.6 Ų44.612%0.11722%0.222CC..EExtended strand (participates in β ladder)trans-67.7145.1-179.719.8-16.8000111.2E12 T18 Y311 L343P10-E12 PolarHBondContact O-N 3.18Å; P10-E12 VanDerWaalsContact O-N 3.17Å; P10-T18 VanDerWaalsContact O-CG2 3.29Å; P10-T18 WeakPolarHBondContact O-CG2 3.49Å; P10-T18 PolarHBondContact O-OG1 3.09Å; P10-Y311 HydrophobicContact CB-CD1 3.49Å; P10-Y311 VanDerWaalsContact CB-CD1 3.49Å; P10-Y311 HydrophobicContact CB-CE1 3.33Å; P10-Y311 HydrophobicContact CB-CE2 4.46Å; P10-Y311 HydrophobicContact CB-CG 4.16Å; P10-Y311 VanDerWaalsContact CD-OH 3.27Å; P10-Y311 WeakPolarHBondContact CD-OH 3.4Å; P10-Y311 HydrophobicContact CG-CD1 4.02Å; P10-Y311 HydrophobicContact CG-CE1 3.34Å; P10-L343 HydrophobicContact CG-CD1 3.89Å; P10-L343 HydrophobicContact CG-CD2 3.66Å; P10-L343 HydrophobicContact CG-CG 4.44Å
11G70.8Confident76.9Confident6 Ų646.9 Ų46.96%0.06223%0.23CC..  trans-75.294.4162.500000109.9K13 T18 N316G11-K13 PolarHBondContact O-N 3.01Å; G11-T18 WeakPolarHBondContact CA-OG1 3.49Å; G11-N316 PolarHBondContact N-O 2.65Å; G11-N316 PolarHBondContact O-ND2 3.32Å
12E66.6Low78Confident104 Ų10441.2 Ų41.249%0.48620%0.203SC..SBendtrans-55.2-51.2-179.5-72.5177.7-153.700112.5P10 K21P10-E12 PolarHBondContact O-N 3.18Å; P10-E12 VanDerWaalsContact O-N 3.17Å; E12-K21 IonicContact OE1-NZ 3.53Å; E12-K21 PolarHBondContact OE1-NZ 3.28Å; E12-K21 IonicContact OE2-NZ 2.99Å; E12-K21 PolarHBondContact OE2-NZ 2.91Å
13K64.9Low78.6Confident167 Ų16740.3 Ų40.373%0.72620%0.195SC*.SBendtrans-125.3-40.7175.8-73.2-177.3178.6-178.90112.1G11G11-K13 PolarHBondContact O-N 3.01Å
14T72.1Confident78.5Confident63 Ų6341.5 Ų41.539%0.38721%0.205SC..  trans-147.1148.2169.456.80000108.8Q16 Q17 T18T14-Q16 PolarHBondContact O-N 3.42Å; T14-Q16 VanDerWaalsContact O-N 3.14Å; T14-Q17 PolarHBondContact O-N 3.28Å; T14-Q17 VanDerWaalsContact O-N 3.08Å; T14-Q17 VanDerWaalsContact OG1-CG 3.3Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.49Å; T14-Q17 PolarHBondContact OG1-N 3.24Å; T14-T18 PolarHBondContact O-N 2.91Å
15C75.1Confident78.1Confident38 Ų3842.4 Ų42.426%0.25721%0.212SC..Hα-helixtrans-55.3-31.6175.1-58.30000112.7T18 W19 N316 Q318C15-T18 PolarHBondContact O-N 3.07Å; C15-W19 PolarHBondContact O-N 3.46Å; C15-W19 VanDerWaalsContact O-N 3.08Å; C15-N316 PolarHBondContact SG-OD1 3.22Å; C15-Q318 HydrophobicContact CB-CB 4.06Å
16Q76.4Confident77.6Confident81 Ų8142.4 Ų42.438%0.37921%0.212SC..Hα-helixtrans-65.8-39.6178-176.562.82400112.7T14 W19 E20T14-Q16 PolarHBondContact O-N 3.42Å; T14-Q16 VanDerWaalsContact O-N 3.14Å; Q16-W19 WeakPolarHBondContact O-CB 3.31Å; Q16-W19 PolarHBondContact O-N 3.13Å; Q16-E20 WeakPolarHBondContact CG-OE1 3.39Å; Q16-E20 PolarHBondContact NE2-OE1 3.32Å; Q16-E20 WeakPolarHBondContact O-CG 3.36Å; Q16-E20 PolarHBondContact O-N 2.91Å
17Q76.9Confident77.1Confident80 Ų8044 Ų4437%0.37422%0.222SC..Hα-helixtrans-69-39.3178.4-74.9172.916.700111.7T14 W19 E20 K21T14-Q17 PolarHBondContact O-N 3.28Å; T14-Q17 VanDerWaalsContact O-N 3.08Å; T14-Q17 VanDerWaalsContact OG1-CG 3.3Å; T14-Q17 WeakPolarHBondContact OG1-CG 3.49Å; T14-Q17 PolarHBondContact OG1-N 3.24Å; Q17-W19 VanDerWaalsContact C-N 3.31Å; Q17-W19 PolarHBondContact O-N 3.35Å; Q17-E20 PolarHBondContact O-N 3.47Å; Q17-K21 WeakPolarHBondContact O-CB 3.37Å; Q17-K21 WeakPolarHBondContact O-CG 3.34Å; Q17-K21 PolarHBondContact O-N 2.97Å
18T78.3Confident76.4Confident6 Ų652.7 Ų52.74%0.03726%0.255CS..Hα-helixtrans-60.7-42.7173.5-570000110.9A9 P10 G11 T14 C15 L22A9-T18 HydrophobicContact CB-CG2 3.76Å; P10-T18 VanDerWaalsContact O-CG2 3.29Å; P10-T18 WeakPolarHBondContact O-CG2 3.49Å; P10-T18 PolarHBondContact O-OG1 3.09Å; G11-T18 WeakPolarHBondContact CA-OG1 3.49Å; T14-T18 PolarHBondContact O-N 2.91Å; C15-T18 PolarHBondContact O-N 3.07Å; T18-L22 PolarHBondContact O-N 3.23Å; T18-L22 VanDerWaalsContact O-N 3.11Å
19W80.5Confident75.7Confident30 Ų3057 Ų5711%0.11428%0.282CS..Hα-helixtrans-59.7-47.5174.1174.3-100.5000112.6C15 Q16 Q17 L22 M23 N35 K37 Q318 M320C15-W19 PolarHBondContact O-N 3.46Å; C15-W19 VanDerWaalsContact O-N 3.08Å; Q16-W19 WeakPolarHBondContact O-CB 3.31Å; Q16-W19 PolarHBondContact O-N 3.13Å; Q17-W19 VanDerWaalsContact C-N 3.31Å; Q17-W19 PolarHBondContact O-N 3.35Å; W19-L22 PolarHBondContact O-N 3.06Å; W19-M23 HydrophobicContact CD2-CG 4.19Å; W19-M23 HydrophobicContact CH2-SD 4.18Å; W19-M23 HydrophobicContact CZ2-CG 3.8Å; W19-M23 HydrophobicContact CZ2-SD 3.7Å; W19-M23 WeakPolarHBondContact O-CB 3.18Å; W19-M23 WeakPolarHBondContact O-CG 3.45Å; W19-M23 PolarHBondContact O-N 2.84Å; W19-N35 HydrophobicContact CH2-CB 3.68Å; W19-N35 HydrophobicContact CZ2-CB 4.4Å; W19-N35 HydrophobicContact CZ3-CB 4.31Å; W19-K37 VanDerWaalsContact CD1-CE 3.43Å; W19-K37 HydrophobicContact CD2-CD 4.28Å; W19-K37 HydrophobicContact CD2-CG 3.67Å; W19-K37 HydrophobicContact CE3-CG 3.65Å; W19-K37 VanDerWaalsContact CG-CE 3.45Å; W19-K37 HydrophobicContact CG-CG 4.39Å; W19-K37 HydrophobicContact CH2-CG 3.86Å; W19-K37 HydrophobicContact CZ2-CG 3.84Å; W19-K37 HydrophobicContact CZ3-CB 4.48Å; W19-K37 HydrophobicContact CZ3-CG 3.75Å; W19-Q318 HydrophobicContact CB-CG 4.3Å; W19-M320 HydrophobicContact CE3-CB 4.1Å; W19-M320 HydrophobicContact CE3-CE 3.98Å; W19-M320 HydrophobicContact CZ3-CB 3.69Å
20E80.6Confident75.1Confident88 Ų8859.8 Ų59.841%0.41130%0.296SS..Hα-helixtrans-65.9-42.2-179.1-75.2172.2-168.400112.5Q16 Q17 L22 M23 V24Q16-E20 WeakPolarHBondContact CG-OE1 3.39Å; Q16-E20 PolarHBondContact NE2-OE1 3.32Å; Q16-E20 WeakPolarHBondContact O-CG 3.36Å; Q16-E20 PolarHBondContact O-N 2.91Å; Q17-E20 PolarHBondContact O-N 3.47Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 3.08Å; E20-M23 PolarHBondContact O-N 3.41Å; E20-V24 VanDerWaalsContact O-CG2 3.32Å; E20-V24 WeakPolarHBondContact O-CG2 3.39Å; E20-V24 PolarHBondContact O-N 3.36Å
21K80.3Confident75.3Confident93 Ų9364 Ų6440%0.40432%0.318SS..Hα-helixtrans-57.5-46.8174.6-76.9-179.5174.9-170.50111.6E12 Q17 V24 A25E12-K21 IonicContact OE1-NZ 3.53Å; E12-K21 PolarHBondContact OE1-NZ 3.28Å; E12-K21 IonicContact OE2-NZ 2.99Å; E12-K21 PolarHBondContact OE2-NZ 2.91Å; Q17-K21 WeakPolarHBondContact O-CB 3.37Å; Q17-K21 WeakPolarHBondContact O-CG 3.34Å; Q17-K21 PolarHBondContact O-N 2.97Å; K21-V24 PolarHBondContact O-N 2.89Å; K21-A25 PolarHBondContact O-N 3.41Å
22L80.9Confident75.6Confident0 Ų063.7 Ų63.70%032%0.315CS..Hα-helixtrans-64-45.2176.9-175.3107.4000111.7T18 W19 E20 V24 A25 T26 M320 L322 L336 L339 Y340T18-L22 PolarHBondContact O-N 3.23Å; T18-L22 VanDerWaalsContact O-N 3.11Å; W19-L22 PolarHBondContact O-N 3.06Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-L22 PolarHBondContact O-N 3.08Å; L22-V24 VanDerWaalsContact C-N 3.28Å; L22-V24 PolarHBondContact O-N 3.45Å; L22-A25 PolarHBondContact O-N 3.17Å; L22-T26 HydrophobicContact CG-CG2 4.26Å; L22-T26 WeakPolarHBondContact O-CB 3.31Å; L22-T26 PolarHBondContact O-N 3.47Å; L22-T26 PolarHBondContact O-OG1 3.05Å; L22-M320 HydrophobicContact CB-CE 3.89Å; L22-M320 HydrophobicContact CB-SD 4.22Å; L22-M320 HydrophobicContact CD1-CE 4.2Å; L22-M320 HydrophobicContact CD1-SD 3.42Å; L22-M320 WeakPolarHBondContact CD1-SD 3.35Å; L22-M320 HydrophobicContact CD2-CE 3.66Å; L22-M320 HydrophobicContact CD2-CG 4.49Å; L22-M320 HydrophobicContact CD2-SD 3.28Å; L22-M320 WeakPolarHBondContact CD2-SD 3.32Å; L22-M320 HydrophobicContact CG-CE 4.09Å; L22-M320 HydrophobicContact CG-SD 3.76Å; L22-L322 HydrophobicContact CD2-CD2 4.12Å; L22-L336 HydrophobicContact CD1-CD2 3.56Å; L22-L339 HydrophobicContact CD1-CD2 4.35Å; L22-Y340 HydrophobicContact CD1-CE2 3.91Å; L22-Y340 WeakPolarHBondContact CD1-OH 3.29Å
23M80.4Confident76.3Confident33 Ų3358.8 Ų58.816%0.16329%0.292CS..Hα-helixtrans-59.8-37.8177.9-79.9-64.1-67.100112.7W19 E20 T27 R28 N35W19-M23 HydrophobicContact CD2-CG 4.19Å; W19-M23 HydrophobicContact CH2-SD 4.18Å; W19-M23 HydrophobicContact CZ2-CG 3.8Å; W19-M23 HydrophobicContact CZ2-SD 3.7Å; W19-M23 WeakPolarHBondContact O-CB 3.18Å; W19-M23 WeakPolarHBondContact O-CG 3.45Å; W19-M23 PolarHBondContact O-N 2.84Å; E20-M23 PolarHBondContact O-N 3.41Å; M23-T27 HydrophobicContact CE-CG2 4.16Å; M23-T27 PolarHBondContact O-N 3.03Å; M23-T27 VanDerWaalsContact O-N 3.12Å; M23-R28 PolarHBondContact O-N 2.91Å; M23-N35 HydrophobicContact SD-CB 3.62Å; M23-N35 PolarHBondContact SD-ND2 3.44Å; M23-N35 VanDerWaalsContact SD-ND2 3.39Å
24V82.3Confident77.1Confident65 Ų6553.9 Ų53.939%0.39428%0.276SS..Iπ-helixtrans-64.2-52.9173.7170.90000110.1E20 K21 L22 T26 T29E20-V24 VanDerWaalsContact O-CG2 3.32Å; E20-V24 WeakPolarHBondContact O-CG2 3.39Å; E20-V24 PolarHBondContact O-N 3.36Å; K21-V24 PolarHBondContact O-N 2.89Å; L22-V24 VanDerWaalsContact C-N 3.28Å; L22-V24 PolarHBondContact O-N 3.45Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 PolarHBondContact O-N 3.03Å; V24-T29 VanDerWaalsContact O-CB 3.24Å; V24-T29 WeakPolarHBondContact O-CB 3.44Å; V24-T29 PolarHBondContact O-N 3.06Å; V24-T29 VanDerWaalsContact O-N 3.07Å; V24-T29 PolarHBondContact O-OG1 2.85Å
25A76Confident77.7Confident18 Ų1851.5 Ų51.515%0.14926%0.261CS..Iπ-helixtrans-63-37-175.400000113.8K21 L22 N30 V335 L339K21-A25 PolarHBondContact O-N 3.41Å; L22-A25 PolarHBondContact O-N 3.17Å; A25-N30 PolarHBondContact O-ND2 3.01Å; A25-V335 HydrophobicContact CB-CG1 3.84Å; A25-L339 HydrophobicContact CB-CD1 4.32Å
26T77.9Confident78.1Confident0 Ų052.5 Ų52.50%026%0.262CS..Iπ-helixtrans-101-56.1-169.657.70000113.2L22 V24 N31 L32 N35 L322 L332 V335 L336L22-T26 HydrophobicContact CG-CG2 4.26Å; L22-T26 WeakPolarHBondContact O-CB 3.31Å; L22-T26 PolarHBondContact O-N 3.47Å; L22-T26 PolarHBondContact O-OG1 3.05Å; V24-T26 VanDerWaalsContact C-N 3.34Å; V24-T26 PolarHBondContact O-N 3.03Å; T26-N31 PolarHBondContact O-N 3.49Å; T26-L32 PolarHBondContact O-N 2.97Å; T26-N35 PolarHBondContact OG1-ND2 2.84Å; T26-L322 HydrophobicContact CG2-CD2 4.27Å; T26-L332 HydrophobicContact CG2-CD1 3.57Å; T26-V335 HydrophobicContact CG2-CG1 4.44Å; T26-L336 HydrophobicContact CG2-CD2 4.23Å
27T74.8Confident78.5Confident33 Ų3352.2 Ų52.220%0.20226%0.259CS..Iπ-helixtrans-89.8-51.9-172.6-52.20000112.1M23 N31 S33 N35M23-T27 HydrophobicContact CE-CG2 4.16Å; M23-T27 PolarHBondContact O-N 3.03Å; M23-T27 VanDerWaalsContact O-N 3.12Å; T27-N31 VanDerWaalsContact O-CA 3.28Å; T27-N31 WeakPolarHBondContact O-CA 3.37Å; T27-N31 PolarHBondContact O-N 3.29Å; T27-S33 PolarHBondContact OG1-O 2.87Å; T27-N35 PolarHBondContact OG1-ND2 3.18Å; T27-N35 VanDerWaalsContact OG1-ND2 3.1Å
28R70.3Confident78.9Confident183 Ų18348.6 Ų48.669%0.69124%0.242SC*.Iπ-helixtrans-74.2-39.9-171-63.1-176.6179.7171.80.9113.6M23M23-R28 PolarHBondContact O-N 2.91Å
29T66.8Low79.1Confident92 Ų9252.7 Ų52.756%0.56426%0.264SS*.THydrogen-bonded Turntrans-84.7-31.9-175.7-57.10000112.7V24V24-T29 VanDerWaalsContact O-CB 3.24Å; V24-T29 WeakPolarHBondContact O-CB 3.44Å; V24-T29 PolarHBondContact O-N 3.06Å; V24-T29 VanDerWaalsContact O-N 3.07Å; V24-T29 PolarHBondContact O-OG1 2.85Å
30N69.3Low79.3Confident58 Ų5852.6 Ų52.631%0.3127%0.265SS..THydrogen-bonded Turntrans-135.7-3.2-167-71.5-61.5000115.1A25 L32 K331A25-N30 PolarHBondContact O-ND2 3.01Å; N30-L32 HydrophobicContact CB-CD1 3.6Å; N30-L32 HydrophobicContact CB-CD2 3.85Å; N30-L32 HydrophobicContact CB-CG 3.41Å; N30-L32 VanDerWaalsContact CB-CG 3.41Å; N30-L32 PolarHBondContact O-N 2.93Å; N30-L32 VanDerWaalsContact O-N 3.16Å; N30-K331 PolarHBondContact OD1-NZ 3.37Å
31N80.1Confident79.4Confident105 Ų10549.6 Ų49.656%0.56125%0.253SS*.  trans44.545.1-176.8-161.826.4000113.9T26 T27 N325T26-N31 PolarHBondContact O-N 3.49Å; T27-N31 VanDerWaalsContact O-CA 3.28Å; T27-N31 WeakPolarHBondContact O-CA 3.37Å; T27-N31 PolarHBondContact O-N 3.29Å; N31-N325 PolarHBondContact O-ND2 3.48Å
32L78.1Confident79.4Confident1 Ų151.5 Ų51.51%0.00527%0.268CS..  trans-83.4-27.6-173.1-58.5173000112.6T26 N30 N325 N328 K331 L332 V335T26-L32 PolarHBondContact O-N 2.97Å; N30-L32 HydrophobicContact CB-CD1 3.6Å; N30-L32 HydrophobicContact CB-CD2 3.85Å; N30-L32 HydrophobicContact CB-CG 3.41Å; N30-L32 VanDerWaalsContact CB-CG 3.41Å; N30-L32 PolarHBondContact O-N 2.93Å; N30-L32 VanDerWaalsContact O-N 3.16Å; L32-N325 WeakPolarHBondContact O-CB 3.18Å; L32-N325 PolarHBondContact O-N 2.98Å; L32-N328 HydrophobicContact CD2-CB 3.8Å; L32-K331 HydrophobicContact CD1-CG 4.27Å; L32-K331 HydrophobicContact CD2-CB 4.31Å; L32-K331 HydrophobicContact CD2-CD 3.86Å; L32-K331 HydrophobicContact CD2-CG 4.09Å; L32-L332 HydrophobicContact CB-CB 4.26Å; L32-L332 HydrophobicContact CB-CD1 3.91Å; L32-L332 HydrophobicContact CD1-CD1 4.37Å; L32-V335 HydrophobicContact CD1-CB 4.46Å; L32-V335 HydrophobicContact CD1-CG2 3.95Å
33S80.9Confident79.6Confident0 Ų052 Ų520%027%0.27CS..EExtended strand (participates in β ladder)trans-156.1155-176.356.20000112.8T27 N35 Q323T27-S33 PolarHBondContact OG1-O 2.87Å; S33-N35 WeakPolarHBondContact CB-OD1 3.33Å; S33-N35 PolarHBondContact OG-OD1 2.79Å; S33-Q323 WeakPolarHBondContact CA-O 3.27Å; S33-Q323 VanDerWaalsContact CB-O 3.3Å; S33-Q323 WeakPolarHBondContact CB-O 3.41Å
34T81.7Confident79.6Confident64 Ų6456.9 Ų56.939%0.39329%0.291SS..EExtended strand (participates in β ladder)trans-90.6125.1164.1-51.10000108.5H36 Q323T34-H36 WeakPolarHBondContact CG2-NE2 3.37Å; T34-Q323 PolarHBondContact N-O 2.95Å; T34-Q323 PolarHBondContact O-N 3.12Å
35N83.8Confident79.2Confident13 Ų1355.8 Ų55.87%0.0728%0.284CS..EExtended strand (participates in β ladder)trans-113.8138.9-176-51.8-22.4000111W19 M23 T26 T27 S33 L321 L322W19-N35 HydrophobicContact CH2-CB 3.68Å; W19-N35 HydrophobicContact CZ2-CB 4.4Å; W19-N35 HydrophobicContact CZ3-CB 4.31Å; M23-N35 HydrophobicContact SD-CB 3.62Å; M23-N35 PolarHBondContact SD-ND2 3.44Å; M23-N35 VanDerWaalsContact SD-ND2 3.39Å; T26-N35 PolarHBondContact OG1-ND2 2.84Å; T27-N35 PolarHBondContact OG1-ND2 3.18Å; T27-N35 VanDerWaalsContact OG1-ND2 3.1Å; S33-N35 WeakPolarHBondContact CB-OD1 3.33Å; S33-N35 PolarHBondContact OG-OD1 2.79Å; N35-L321 CarbonylContact C-O 3.52Å; N35-L321 VanDerWaalsContact CA-O 3.31Å; N35-L321 WeakPolarHBondContact CA-O 3.49Å; N35-L322 VanDerWaalsContact OD1-CD2 3.23Å; N35-L322 WeakPolarHBondContact OD1-CD2 3.49Å; N35-L322 WeakPolarHBondContact OD1-CG 3.41Å
36H84.6Confident79.2Confident59 Ų5957.2 Ų57.227%0.27330%0.301SS..EExtended strand (participates in β ladder)trans-124.4144.9173-60.2-79.4000110.4T34 L321T34-H36 WeakPolarHBondContact CG2-NE2 3.37Å; H36-L321 HydrophobicContact CB-CB 4.35Å; H36-L321 HydrophobicContact CB-CD2 4.46Å; H36-L321 PolarHBondContact N-O 2.5Å; H36-L321 PolarHBondContact O-N 3.16Å
37K83.9Confident79.3Confident76 Ų7661.4 Ų61.433%0.3333%0.327SS..EExtended strand (participates in β ladder)trans-72.4134171.1-71.5-174.2175.7-172.10108.9W19W19-K37 VanDerWaalsContact CD1-CE 3.43Å; W19-K37 HydrophobicContact CD2-CD 4.28Å; W19-K37 HydrophobicContact CD2-CG 3.67Å; W19-K37 HydrophobicContact CE3-CG 3.65Å; W19-K37 VanDerWaalsContact CG-CE 3.45Å; W19-K37 HydrophobicContact CG-CG 4.39Å; W19-K37 HydrophobicContact CH2-CG 3.86Å; W19-K37 HydrophobicContact CZ2-CG 3.84Å; W19-K37 HydrophobicContact CZ3-CB 4.48Å; W19-K37 HydrophobicContact CZ3-CG 3.75Å
38F85.5Confident79.5Confident3 Ų365.7 Ų65.71%0.01335%0.348CS..  trans-107.5103.8176.8-167.8-93.5000108.5L6 I40 F105 I295 A299 A319L6-F38 HydrophobicContact CD1-CB 3.95Å; L6-F38 HydrophobicContact CD1-CD1 3.97Å; L6-F38 HydrophobicContact CD1-CD2 4.08Å; L6-F38 HydrophobicContact CD1-CE1 4.5Å; L6-F38 HydrophobicContact CD1-CG 3.73Å; L6-F38 HydrophobicContact CD2-CE1 4.38Å; L6-F38 HydrophobicContact CD2-CZ 4.41Å; F38-I40 HydrophobicContact CD1-CD1 3.79Å; F38-I40 HydrophobicContact CD1-CG1 3.51Å; F38-I40 HydrophobicContact CE1-CD1 3.89Å; F38-I40 HydrophobicContact CE1-CG1 3.68Å; F38-I40 PolarHBondContact O-N 2.69Å; F38-F105 HydrophobicContact CD1-CD1 4.19Å; F38-F105 HydrophobicContact CD1-CE1 4.46Å; F38-F105 HydrophobicContact CD2-CB 3.89Å; F38-F105 AromaticContact CD2-CD1 3.81Å; F38-F105 HydrophobicContact CD2-CD1 3.81Å; F38-F105 HydrophobicContact CD2-CG 4.08Å; F38-F105 AromaticContact CE1-CD1 3.67Å; F38-F105 HydrophobicContact CE1-CD1 3.67Å; F38-F105 AromaticContact CE1-CE1 3.65Å; F38-F105 HydrophobicContact CE1-CE1 3.65Å; F38-F105 HydrophobicContact CE2-CB 3.51Å; F38-F105 AromaticContact CE2-CD1 3.24Å; F38-F105 HydrophobicContact CE2-CD1 3.24Å; F38-F105 HydrophobicContact CE2-CD2 4.16Å; F38-F105 AromaticContact CE2-CE1 3.96Å; F38-F105 HydrophobicContact CE2-CE1 3.96Å; F38-F105 AromaticContact CE2-CG 3.34Å; F38-F105 HydrophobicContact CE2-CG 3.34Å; F38-F105 HydrophobicContact CG-CD1 4.25Å; F38-F105 HydrophobicContact CZ-CB 4.3Å; F38-F105 AromaticContact CZ-CD1 3.16Å; F38-F105 HydrophobicContact CZ-CD1 3.16Å; F38-F105 HydrophobicContact CZ-CD2 4.22Å; F38-F105 AromaticContact CZ-CE1 3.36Å; F38-F105 HydrophobicContact CZ-CE1 3.36Å; F38-F105 HydrophobicContact CZ-CE2 4.37Å; F38-F105 AromaticContact CZ-CG 3.62Å; F38-F105 HydrophobicContact CZ-CG 3.62Å; F38-F105 AromaticContact CZ-CZ 3.97Å; F38-F105 HydrophobicContact CZ-CZ 3.97Å; F38-I295 HydrophobicContact CE2-CG2 4.1Å; F38-I295 HydrophobicContact CZ-CG2 4.04Å; F38-A299 HydrophobicContact CE1-CB 3.57Å; F38-A299 HydrophobicContact CZ-CB 3.88Å; F38-A319 HydrophobicContact CB-CB 4.13Å; F38-A319 HydrophobicContact CD1-CB 4.2Å; F38-A319 PolarHBondContact N-O 2.78Å; F38-A319 VanDerWaalsContact N-O 3.16Å
39N82.6Confident80Confident92 Ų9263.3 Ų63.349%0.49235%0.349SS..  trans-81.9104.7-171.7-66.6-18.5000110.3
40I84.1Confident80.7Confident29 Ų2962.4 Ų62.415%0.14934%0.343CS..  trans-102124.5173.1-54.2-176.5000107.5F38 A299 V302 F303 F317 A319F38-I40 HydrophobicContact CD1-CD1 3.79Å; F38-I40 HydrophobicContact CD1-CG1 3.51Å; F38-I40 HydrophobicContact CE1-CD1 3.89Å; F38-I40 HydrophobicContact CE1-CG1 3.68Å; F38-I40 PolarHBondContact O-N 2.69Å; I40-A299 HydrophobicContact CD1-CB 4.43Å; I40-V302 HydrophobicContact CD1-CB 4.13Å; I40-V302 HydrophobicContact CD1-CG1 3.87Å; I40-F303 HydrophobicContact CG2-CB 4.21Å; I40-F303 HydrophobicContact CG2-CD2 3.87Å; I40-F303 HydrophobicContact CG2-CG 4.45Å; I40-F317 HydrophobicContact CD1-CE2 4.13Å; I40-F317 HydrophobicContact CD1-CZ 4.44Å; I40-A319 HydrophobicContact CD1-CB 3.75Å; I40-A319 HydrophobicContact CG1-CB 4.19Å
41P84Confident81.4Confident24 Ų2459.7 Ų59.716%0.15633%0.329CS..  trans-72.9165.3177.232-36.1000111.4L43 W107 M109 I114P41-L43 HydrophobicContact CG-CD2 4.25Å; P41-L43 HydrophobicContact CG-CG 4.48Å; P41-L43 PolarHBondContact O-N 3.42Å; P41-L43 VanDerWaalsContact O-N 3.1Å; P41-W107 HydrophobicContact CG-CB 3.8Å; P41-W107 HydrophobicContact CG-CD2 3.74Å; P41-W107 HydrophobicContact CG-CE3 4.29Å; P41-W107 HydrophobicContact CG-CG 3.48Å; P41-W107 VanDerWaalsContact CG-CG 3.48Å; P41-M109 HydrophobicContact CB-CE 4.44Å; P41-I114 HydrophobicContact CB-CG2 3.92Å; P41-I114 HydrophobicContact CG-CG2 3.71Å
42D80.4Confident81.6Confident133 Ų13358.6 Ų58.671%0.71133%0.325SS*.  trans-68.6109170.9-63.7-37.1000109.9
43L83.5Confident81.9Confident10 Ų1060.2 Ų60.25%0.05234%0.342CS..  trans-96.4150.6178-61.9166000110.3P41 V45 W107 I114 L118 I121 L300 F303P41-L43 HydrophobicContact CG-CD2 4.25Å; P41-L43 HydrophobicContact CG-CG 4.48Å; P41-L43 PolarHBondContact O-N 3.42Å; P41-L43 VanDerWaalsContact O-N 3.1Å; L43-V45 PolarHBondContact O-N 3.43Å; L43-W107 HydrophobicContact CD1-CH2 4.17Å; L43-W107 HydrophobicContact CD1-CZ3 4.44Å; L43-W107 HydrophobicContact CD2-CH2 4.35Å; L43-W107 HydrophobicContact CD2-CZ2 3.92Å; L43-I114 HydrophobicContact CD2-CB 4.24Å; L43-I114 HydrophobicContact CD2-CG2 4.02Å; L43-L118 HydrophobicContact CB-CD2 3.61Å; L43-L118 HydrophobicContact CD1-CD2 3.71Å; L43-L118 HydrophobicContact CG-CD2 4.2Å; L43-I121 HydrophobicContact CD2-CD1 4.28Å; L43-L300 HydrophobicContact CD1-CD2 3.55Å; L43-F303 HydrophobicContact CB-CD1 4.35Å; L43-F303 HydrophobicContact CB-CE1 3.89Å; L43-F303 HydrophobicContact CB-CE2 4.1Å; L43-F303 HydrophobicContact CB-CZ 3.77Å; L43-F303 HydrophobicContact CD1-CB 4.38Å; L43-F303 HydrophobicContact CD1-CD1 4.14Å; L43-F303 HydrophobicContact CD1-CD2 4.14Å; L43-F303 HydrophobicContact CD1-CG 3.96Å; L43-F303 HydrophobicContact CG-CE2 4.49Å
44K80.4Confident82.1Confident136 Ų13660.5 Ų60.559%0.59134%0.344SS*.BIsolated β-bridgetrans-67.5107.6-179.1-170.3177.8-178.4179.90111.1
45V75.3Confident82.3Confident42 Ų4258.5 Ų58.526%0.25533%0.333SS..  trans-77.1134177.2-167.40000110.1L43 L51 F303 V307 V315L43-V45 PolarHBondContact O-N 3.43Å; V45-L51 HydrophobicContact CG1-CD1 3.73Å; V45-L51 HydrophobicContact CG1-CD2 4.42Å; V45-L51 HydrophobicContact CG1-CG 4.47Å; V45-F303 HydrophobicContact CG2-CE1 3.95Å; V45-F303 HydrophobicContact CG2-CZ 3.81Å; V45-V307 HydrophobicContact CG1-CG1 3.98Å; V45-V315 HydrophobicContact CG2-CG2 4.15Å
46G75.1Confident82.5Confident49 Ų4962.8 Ų62.851%0.50536%0.355SS..  trans-90.7-153.4173.200000112.4
47T80.7Confident82.7Confident87 Ų8764.7 Ų64.753%0.53436%0.364SS..  trans-75.6156.2169.557.40000110.8D49 V50 L51T47-D49 VanDerWaalsContact C-N 3.26Å; T47-D49 PolarHBondContact O-N 3.34Å; T47-V50 PolarHBondContact O-N 2.9Å; T47-V50 VanDerWaalsContact OG1-CG2 3.25Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.49Å; T47-V50 PolarHBondContact OG1-N 2.89Å; T47-L51 WeakPolarHBondContact O-CG 3.45Å; T47-L51 PolarHBondContact O-N 2.89Å; T47-L51 VanDerWaalsContact O-N 3.1Å
48L79Confident83Confident123 Ų12361.2 Ų61.264%0.64435%0.349SS*.Hα-helixtrans-56.8-41.2176.8-69.3174.1000112.1V50 L51 V52L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.14Å; L48-L51 HydrophobicContact CD2-CD1 4.41Å; L48-L51 WeakPolarHBondContact O-CB 3.49Å; L48-L51 PolarHBondContact O-N 2.88Å; L48-L51 VanDerWaalsContact O-N 3.09Å; L48-V52 WeakPolarHBondContact O-CG2 3.26Å; L48-V52 PolarHBondContact O-N 3.48Å
49D79.7Confident83.2Confident134 Ų13462.3 Ų62.372%0.71736%0.359SS*.Hα-helixtrans-57.2-44.9176.7-176.348.6000112.4T47 L51 V52 G53T47-D49 VanDerWaalsContact C-N 3.26Å; T47-D49 PolarHBondContact O-N 3.34Å; D49-L51 VanDerWaalsContact C-N 3.32Å; D49-L51 PolarHBondContact O-N 2.78Å; D49-V52 PolarHBondContact O-N 2.82Å; D49-G53 PolarHBondContact O-N 2.91Å
50V82.9Confident83.7Confident73 Ų7365.4 Ų65.444%0.44237%0.368SS..Hα-helixtrans-65.2-36.3175.9170.70000111.6T47 L48 L54T47-V50 PolarHBondContact O-N 2.9Å; T47-V50 VanDerWaalsContact OG1-CG2 3.25Å; T47-V50 WeakPolarHBondContact OG1-CG2 3.49Å; T47-V50 PolarHBondContact OG1-N 2.89Å; L48-V50 VanDerWaalsContact C-N 3.34Å; L48-V50 PolarHBondContact O-N 3.14Å; V50-L54 WeakPolarHBondContact O-CB 3.16Å; V50-L54 PolarHBondContact O-N 2.87Å
51L82.3Confident84.1Confident1 Ų164.8 Ų64.81%0.00537%0.365CS..Hα-helixtrans-67.8-40177.9-67.7176.9000112.1V45 T47 L48 D49 L54 S55 L118 V304 V307 L308V45-L51 HydrophobicContact CG1-CD1 3.73Å; V45-L51 HydrophobicContact CG1-CD2 4.42Å; V45-L51 HydrophobicContact CG1-CG 4.47Å; T47-L51 WeakPolarHBondContact O-CG 3.45Å; T47-L51 PolarHBondContact O-N 2.89Å; T47-L51 VanDerWaalsContact O-N 3.1Å; L48-L51 HydrophobicContact CD2-CD1 4.41Å; L48-L51 WeakPolarHBondContact O-CB 3.49Å; L48-L51 PolarHBondContact O-N 2.88Å; L48-L51 VanDerWaalsContact O-N 3.09Å; D49-L51 VanDerWaalsContact C-N 3.32Å; D49-L51 PolarHBondContact O-N 2.78Å; L51-L54 PolarHBondContact O-N 2.93Å; L51-S55 PolarHBondContact O-N 3.45Å; L51-L118 HydrophobicContact CD2-CD1 3.68Å; L51-V304 HydrophobicContact CB-CG1 4.4Å; L51-V304 HydrophobicContact CD2-CG1 4.42Å; L51-V304 HydrophobicContact CD2-CG2 4.3Å; L51-V307 HydrophobicContact CD1-CB 4.36Å; L51-V307 HydrophobicContact CD1-CG1 3.56Å; L51-L308 HydrophobicContact CB-CD1 4.21Å; L51-L308 HydrophobicContact CB-CD2 3.56Å; L51-L308 HydrophobicContact CB-CG 3.93Å; L51-L308 HydrophobicContact CD1-CD2 4.26Å
52V84.2Confident84.5Confident81 Ų8164 Ų6449%0.49136%0.36SS..Hα-helixtrans-60-50.7177173.30000110L48 D49 L54 S55 L308L48-V52 WeakPolarHBondContact O-CG2 3.26Å; L48-V52 PolarHBondContact O-N 3.48Å; D49-V52 PolarHBondContact O-N 2.82Å; V52-L54 VanDerWaalsContact C-N 3.31Å; V52-L54 PolarHBondContact O-N 3.14Å; V52-S55 WeakPolarHBondContact O-CB 2.91Å; V52-S55 PolarHBondContact O-N 3.43Å; V52-L308 HydrophobicContact CG2-CD2 3.86Å
53G84.6Confident85.1Confident35 Ų3562.1 Ų62.136%0.36135%0.353SS..Hα-helixtrans-60.8-39.6175.900000113D49 S55 D56 E57D49-G53 PolarHBondContact O-N 2.91Å; G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 3.09Å; G53-D56 PolarHBondContact O-N 2.74Å; G53-E57 WeakPolarHBondContact O-CG 3.24Å; G53-E57 PolarHBondContact O-N 2.81Å
54L86.6Confident85.6Confident6 Ų664.8 Ų64.83%0.03136%0.364CS..Hα-helixtrans-67-31.6178.5-174.166.8000112.8V50 L51 V52 D56 E57 L58 L118 V304V50-L54 WeakPolarHBondContact O-CB 3.16Å; V50-L54 PolarHBondContact O-N 2.87Å; L51-L54 PolarHBondContact O-N 2.93Å; V52-L54 VanDerWaalsContact C-N 3.31Å; V52-L54 PolarHBondContact O-N 3.14Å; L54-D56 PolarHBondContact O-N 2.94Å; L54-E57 PolarHBondContact O-N 3.21Å; L54-L58 HydrophobicContact CD1-CD1 4.43Å; L54-L58 HydrophobicContact CD1-CG 4.12Å; L54-L58 HydrophobicContact CD2-CD1 4.22Å; L54-L58 HydrophobicContact CG-CD1 3.83Å; L54-L58 HydrophobicContact CG-CG 4Å; L54-L58 VanDerWaalsContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CB 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 2.81Å; L54-L118 HydrophobicContact CD2-CB 3.43Å; L54-L118 VanDerWaalsContact CD2-CB 3.43Å; L54-L118 HydrophobicContact CD2-CD1 4.07Å; L54-L118 HydrophobicContact CD2-CG 4.38Å; L54-V304 HydrophobicContact CD2-CG2 3.98Å
55S85.6Confident86.2Confident23 Ų2358.3 Ų58.316%0.16134%0.336CS..Hα-helixtrans-59-47.5177.4-172.90000111.5L51 V52 G53 L58 A59L51-S55 PolarHBondContact O-N 3.45Å; V52-S55 WeakPolarHBondContact O-CB 2.91Å; V52-S55 PolarHBondContact O-N 3.43Å; G53-S55 VanDerWaalsContact C-N 3.32Å; G53-S55 PolarHBondContact O-N 3.09Å; S55-L58 PolarHBondContact O-N 2.92Å; S55-A59 PolarHBondContact O-N 3.45Å
56D86.6Confident87Confident103 Ų10358.8 Ų58.855%0.55134%0.335SS*.Hα-helixtrans-67.1-40.6178.3-71.5-17.7000112.1G53 L54 A59 K60G53-D56 PolarHBondContact O-N 2.74Å; L54-D56 PolarHBondContact O-N 2.94Å; D56-A59 PolarHBondContact O-N 2.8Å; D56-K60 WeakPolarHBondContact O-CG 3.02Å; D56-K60 PolarHBondContact O-N 3.22Å; D56-K60 VanDerWaalsContact O-N 3.15Å
57E89.5Confident87.8Confident99 Ų9959.3 Ų59.346%0.46333%0.332SS..Hα-helixtrans-62.8-44.8175.8-72.5-179.1178.400111.7G53 L54 A59 K60 L61G53-E57 WeakPolarHBondContact O-CG 3.24Å; G53-E57 PolarHBondContact O-N 2.81Å; L54-E57 PolarHBondContact O-N 3.21Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.37Å; E57-K60 PolarHBondContact O-N 3.45Å; E57-L61 WeakPolarHBondContact O-CB 3.27Å; E57-L61 PolarHBondContact O-N 3.2Å
58L90.4Very high88.4Confident2 Ų255.2 Ų55.21%0.0131%0.307CS..Hα-helixtrans-65.7-33.8177.7-73173.2000111.9L54 S55 L61 D62 I297 L300 R301 V304L54-L58 HydrophobicContact CD1-CD1 4.43Å; L54-L58 HydrophobicContact CD1-CG 4.12Å; L54-L58 HydrophobicContact CD2-CD1 4.22Å; L54-L58 HydrophobicContact CG-CD1 3.83Å; L54-L58 HydrophobicContact CG-CG 4Å; L54-L58 VanDerWaalsContact O-CB 3.31Å; L54-L58 WeakPolarHBondContact O-CB 3.28Å; L54-L58 WeakPolarHBondContact O-CG 3.47Å; L54-L58 PolarHBondContact O-N 2.81Å; S55-L58 PolarHBondContact O-N 2.92Å; L58-L61 PolarHBondContact O-N 3.34Å; L58-D62 VanDerWaalsContact O-CB 3.27Å; L58-D62 WeakPolarHBondContact O-CB 2.98Å; L58-D62 PolarHBondContact O-N 3.43Å; L58-I297 HydrophobicContact CD2-CD1 3.86Å; L58-L300 HydrophobicContact CD1-CB 4.1Å; L58-L300 HydrophobicContact CD2-CB 4.22Å; L58-L300 HydrophobicContact CD2-CD1 4.33Å; L58-R301 HydrophobicContact CB-CG 3.65Å; L58-R301 HydrophobicContact CD1-CG 4.36Å; L58-V304 HydrophobicContact CD1-CB 4.33Å; L58-V304 HydrophobicContact CD1-CG2 3.83Å
59A89.6Confident89.1Confident27 Ų2749.4 Ų49.422%0.22328%0.276CS..Hα-helixtrans-64.8-42.517500000112.5S55 D56 E57 T63 R301S55-A59 PolarHBondContact O-N 3.45Å; D56-A59 PolarHBondContact O-N 2.8Å; E57-A59 VanDerWaalsContact C-N 3.31Å; E57-A59 PolarHBondContact O-N 3.37Å; A59-T63 PolarHBondContact O-N 2.88Å; A59-T63 PolarHBondContact O-OG1 3.3Å; A59-R301 VanDerWaalsContact CA-CZ 3.49Å; A59-R301 VanDerWaalsContact CB-NH2 3.34Å
60K92.6Very high89.6Confident156 Ų15647.1 Ų47.168%0.67826%0.26SS*.Hα-helixtrans-65.8-43.8174.1-68.9172.5-174.2170.40111D56 E57 T63 F64D56-K60 WeakPolarHBondContact O-CG 3.02Å; D56-K60 PolarHBondContact O-N 3.22Å; D56-K60 VanDerWaalsContact O-N 3.15Å; E57-K60 PolarHBondContact O-N 3.45Å; K60-T63 PolarHBondContact O-N 3.3Å; K60-F64 WeakPolarHBondContact O-CB 3.5Å; K60-F64 PolarHBondContact O-N 3.14Å
61L93Very high90Very high17 Ų1748 Ų489%0.08926%0.258CS..Hα-helixtrans-64-44.5179.6-175.852.7000111.3E57 L58 T63 F64 V65 S122 I297E57-L61 WeakPolarHBondContact O-CB 3.27Å; E57-L61 PolarHBondContact O-N 3.2Å; L58-L61 PolarHBondContact O-N 3.34Å; L61-T63 PolarHBondContact O-N 2.89Å; L61-F64 HydrophobicContact CD1-CD1 4.2Å; L61-F64 WeakPolarHBondContact O-CB 3.4Å; L61-F64 PolarHBondContact O-N 3.49Å; L61-F64 VanDerWaalsContact O-N 3.16Å; L61-V65 HydrophobicContact CD1-CG2 3.86Å; L61-V65 HydrophobicContact CG-CG2 4.16Å; L61-V65 WeakPolarHBondContact O-CG2 3.38Å; L61-V65 PolarHBondContact O-N 3.39Å; L61-S122 WeakPolarHBondContact CD2-O 3.45Å; L61-I297 HydrophobicContact CD2-CD1 3.42Å; L61-I297 VanDerWaalsContact CD2-CD1 3.42Å; L61-I297 HydrophobicContact CD2-CG1 4.35Å; L61-I297 HydrophobicContact CG-CD1 3.88Å; L61-I297 HydrophobicContact CG-CG1 4.36Å
62D91.9Very high90.4Very high8 Ų848 Ų484%0.04326%0.257CS..Hα-helixtrans-56.7-48.1176-177.441.3000112.1L58 F64 V65 E66 W294 I297 K298 R301L58-D62 VanDerWaalsContact O-CB 3.27Å; L58-D62 WeakPolarHBondContact O-CB 2.98Å; L58-D62 PolarHBondContact O-N 3.43Å; D62-F64 VanDerWaalsContact C-N 3.32Å; D62-F64 PolarHBondContact O-N 2.9Å; D62-V65 PolarHBondContact O-N 3.14Å; D62-E66 WeakPolarHBondContact O-CB 3.44Å; D62-E66 PolarHBondContact O-N 3.41Å; D62-W294 VanDerWaalsContact OD1-CD1 3.22Å; D62-W294 PolarHBondContact OD1-NE1 2.76Å; D62-I297 HydrophobicContact CB-CG2 3.7Å; D62-K298 VanDerWaalsContact CG-NZ 3.3Å; D62-K298 IonicContact OD1-NZ 2.78Å; D62-K298 PolarHBondContact OD1-NZ 2.98Å; D62-K298 IonicContact OD2-NZ 3.35Å; D62-K298 PolarHBondContact OD2-NZ 3.43Å; D62-R301 IonicContact OD2-CZ 3.98Å; D62-R301 IonicContact OD2-NH1 3.06Å; D62-R301 PolarHBondContact OD2-NH1 2.86Å
63T92.6Very high90.6Very high92 Ų9244.1 Ų44.156%0.56423%0.234SC*.Hα-helixtrans-60.3-42.8176.1-51.80000111.4A59 K60 L61 S67A59-T63 PolarHBondContact O-N 2.88Å; A59-T63 PolarHBondContact O-OG1 3.3Å; K60-T63 PolarHBondContact O-N 3.3Å; L61-T63 PolarHBondContact O-N 2.89Å; T63-S67 PolarHBondContact O-N 2.97Å; T63-S67 VanDerWaalsContact O-N 3.08Å
64F94Very high90.8Very high66 Ų6646.3 Ų46.329%0.28924%0.235SC..Hα-helixtrans-64.2-49.3176.7174.2-114.6000111.8K60 L61 D62 E66 S67 V68 V129K60-F64 WeakPolarHBondContact O-CB 3.5Å; K60-F64 PolarHBondContact O-N 3.14Å; L61-F64 HydrophobicContact CD1-CD1 4.2Å; L61-F64 WeakPolarHBondContact O-CB 3.4Å; L61-F64 PolarHBondContact O-N 3.49Å; L61-F64 VanDerWaalsContact O-N 3.16Å; D62-F64 VanDerWaalsContact C-N 3.32Å; D62-F64 PolarHBondContact O-N 2.9Å; F64-E66 VanDerWaalsContact C-N 3.35Å; F64-E66 PolarHBondContact O-N 3.42Å; F64-S67 WeakPolarHBondContact O-CB 3.42Å; F64-S67 PolarHBondContact O-N 2.84Å; F64-S67 VanDerWaalsContact O-N 3.13Å; F64-S67 PolarHBondContact O-OG 3.39Å; F64-V68 HydrophobicContact CD2-CG2 4.29Å; F64-V68 HydrophobicContact CE1-CG2 4.32Å; F64-V68 HydrophobicContact CE2-CG2 3.84Å; F64-V68 HydrophobicContact CZ-CG2 3.86Å; F64-V68 WeakPolarHBondContact O-CG2 3.45Å; F64-V68 PolarHBondContact O-N 2.68Å; F64-V129 HydrophobicContact CD1-CG1 4.17Å; F64-V129 HydrophobicContact CE1-CB 4.38Å; F64-V129 HydrophobicContact CE1-CG1 3.78Å; F64-V129 HydrophobicContact CZ-CG1 4.49Å
65V93.7Very high91Very high0 Ų046.9 Ų46.90%024%0.237CC..Hα-helixtrans-61.8-43.5180-175.40000110.9L61 D62 S67 V68 V69 V125 V129 W294L61-V65 HydrophobicContact CD1-CG2 3.86Å; L61-V65 HydrophobicContact CG-CG2 4.16Å; L61-V65 WeakPolarHBondContact O-CG2 3.38Å; L61-V65 PolarHBondContact O-N 3.39Å; D62-V65 PolarHBondContact O-N 3.14Å; V65-S67 VanDerWaalsContact C-N 3.29Å; V65-S67 PolarHBondContact O-N 3.14Å; V65-V68 PolarHBondContact O-N 3.32Å; V65-V68 VanDerWaalsContact O-N 3.15Å; V65-V69 HydrophobicContact CG1-CG2 4.25Å; V65-V69 WeakPolarHBondContact O-CG2 3.4Å; V65-V69 PolarHBondContact O-N 2.82Å; V65-V125 HydrophobicContact CG2-CG1 4.41Å; V65-V129 HydrophobicContact CB-CG1 4.33Å; V65-V129 HydrophobicContact CB-CG2 4.5Å; V65-V129 HydrophobicContact CG1-CG1 4.23Å; V65-V129 HydrophobicContact CG1-CG2 3.94Å; V65-V129 HydrophobicContact CG2-CB 4.27Å; V65-V129 HydrophobicContact CG2-CG1 4.03Å; V65-V129 HydrophobicContact CG2-CG2 3.87Å; V65-W294 HydrophobicContact CG1-CB 3.68Å; V65-W294 HydrophobicContact CG1-CG 4.17Å
66E91.8Very high91.1Very high52 Ų5245.9 Ų45.924%0.24323%0.229CC..Hα-helixtrans-55.6-45.5174.3-175.4175.416200111.6D62 F64 V68 V69 K70 W294D62-E66 WeakPolarHBondContact O-CB 3.44Å; D62-E66 PolarHBondContact O-N 3.41Å; F64-E66 VanDerWaalsContact C-N 3.35Å; F64-E66 PolarHBondContact O-N 3.42Å; E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.06Å; E66-V69 PolarHBondContact O-N 3.11Å; E66-K70 HydrophobicContact CG-CD 4.32Å; E66-K70 WeakPolarHBondContact O-CG 3.23Å; E66-K70 PolarHBondContact O-N 2.81Å; E66-K70 WeakPolarHBondContact OE1-CE 3.46Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 3.41Å; E66-W294 HydrophobicContact CB-CZ2 3.92Å; E66-W294 HydrophobicContact CG-CH2 4.23Å; E66-W294 HydrophobicContact CG-CZ2 3.57Å
67S92.9Very high91Very high61 Ų6141 Ų4143%0.42720%0.204SC..Hα-helixtrans-61.9-39.3178.580.80000112.3T63 F64 V65 K71T63-S67 PolarHBondContact O-N 2.97Å; T63-S67 VanDerWaalsContact O-N 3.08Å; F64-S67 WeakPolarHBondContact O-CB 3.42Å; F64-S67 PolarHBondContact O-N 2.84Å; F64-S67 VanDerWaalsContact O-N 3.13Å; F64-S67 PolarHBondContact O-OG 3.39Å; V65-S67 VanDerWaalsContact C-N 3.29Å; V65-S67 PolarHBondContact O-N 3.14Å; S67-K71 VanDerWaalsContact O-CB 3.26Å; S67-K71 WeakPolarHBondContact O-CB 3.47Å; S67-K71 PolarHBondContact O-N 2.83Å
68V93.6Very high90.9Very high1 Ų139.4 Ų39.41%0.00620%0.199CC..Hα-helixtrans-68.9-44.7178176.10000110.7F64 V65 E66 K70 K71 V72 V129 I132 D133F64-V68 HydrophobicContact CD2-CG2 4.29Å; F64-V68 HydrophobicContact CE1-CG2 4.32Å; F64-V68 HydrophobicContact CE2-CG2 3.84Å; F64-V68 HydrophobicContact CZ-CG2 3.86Å; F64-V68 WeakPolarHBondContact O-CG2 3.45Å; F64-V68 PolarHBondContact O-N 2.68Å; V65-V68 PolarHBondContact O-N 3.32Å; V65-V68 VanDerWaalsContact O-N 3.15Å; E66-V68 VanDerWaalsContact C-N 3.32Å; E66-V68 PolarHBondContact O-N 3.06Å; V68-K70 PolarHBondContact O-N 3.04Å; V68-K71 WeakPolarHBondContact O-CB 2.82Å; V68-K71 PolarHBondContact O-N 3.45Å; V68-V72 HydrophobicContact CG1-CG2 4.32Å; V68-V72 VanDerWaalsContact O-CG2 3.29Å; V68-V72 WeakPolarHBondContact O-CG2 3.14Å; V68-V72 PolarHBondContact O-N 3.46Å; V68-V129 HydrophobicContact CB-CG1 3.93Å; V68-V129 HydrophobicContact CG1-CG1 4.04Å; V68-V129 HydrophobicContact CG2-CG1 3.89Å; V68-I132 HydrophobicContact CG1-CG2 4.21Å; V68-D133 HydrophobicContact CG1-CB 4.15Å; V68-D133 HydrophobicContact CG2-CB 3.88Å
69V92.4Very high90.7Very high0 Ų040 Ų400%020%0.202CC..Hα-helixtrans-58.5-47.5176.8173.60000110.9V65 E66 K71 V72 A73 F287 A290 F291 W294 L378V65-V69 HydrophobicContact CG1-CG2 4.25Å; V65-V69 WeakPolarHBondContact O-CG2 3.4Å; V65-V69 PolarHBondContact O-N 2.82Å; E66-V69 PolarHBondContact O-N 3.11Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 3.31Å; V69-V72 PolarHBondContact O-N 2.89Å; V69-A73 WeakPolarHBondContact O-CB 3.42Å; V69-A73 PolarHBondContact O-N 2.85Å; V69-F287 HydrophobicContact CG1-CD2 4.37Å; V69-F287 HydrophobicContact CG1-CE2 3.76Å; V69-A290 HydrophobicContact CG2-CB 3.69Å; V69-F291 HydrophobicContact CG1-CD2 4.2Å; V69-W294 HydrophobicContact CG2-CB 4.4Å; V69-L378 HydrophobicContact CG1-CD1 3.9Å; V69-L378 HydrophobicContact CG1-CD2 3.81Å; V69-L378 HydrophobicContact CG1-CG 4.5Å
70K90.7Very high90.3Very high86 Ų8639.3 Ų39.337%0.37420%0.195SC..Hα-helixtrans-61.2-41.5176.7-73.5-179-176.6174.60112E66 V68 A73 Q74 L378E66-K70 HydrophobicContact CG-CD 4.32Å; E66-K70 WeakPolarHBondContact O-CG 3.23Å; E66-K70 PolarHBondContact O-N 2.81Å; E66-K70 WeakPolarHBondContact OE1-CE 3.46Å; E66-K70 IonicContact OE1-NZ 2.69Å; E66-K70 PolarHBondContact OE1-NZ 3.41Å; V68-K70 PolarHBondContact O-N 3.04Å; K70-A73 PolarHBondContact O-N 2.93Å; K70-Q74 WeakPolarHBondContact O-CB 3.38Å; K70-Q74 PolarHBondContact O-N 2.96Å; K70-L378 HydrophobicContact CG-CD2 4.18Å
71K91.4Very high89.4Confident92 Ų9236.5 Ų36.540%0.418%0.184SC..Hα-helixtrans-64.4-42.2178-166-174.7-157.5174.70112.6S67 V68 V69 Y75 D133 L136S67-K71 VanDerWaalsContact O-CB 3.26Å; S67-K71 WeakPolarHBondContact O-CB 3.47Å; S67-K71 PolarHBondContact O-N 2.83Å; V68-K71 WeakPolarHBondContact O-CB 2.82Å; V68-K71 PolarHBondContact O-N 3.45Å; V69-K71 VanDerWaalsContact C-N 3.33Å; V69-K71 PolarHBondContact O-N 3.31Å; K71-Y75 WeakPolarHBondContact O-CB 3.31Å; K71-Y75 PolarHBondContact O-N 3.41Å; K71-D133 IonicContact NZ-OD1 3.88Å; K71-D133 PolarHBondContact NZ-OD1 3.05Å; K71-L136 HydrophobicContact CB-CD2 4.45Å; K71-L136 HydrophobicContact CD-CD2 4.07Å; K71-L136 HydrophobicContact CG-CD2 4.01Å
72V91Very high88.3Confident0 Ų043.1 Ų43.10%022%0.219CC..Hα-helixtrans-63.8-44.9174.5177.30000110.2V68 V69 Y75 M76 I132 L136 L283 F287V68-V72 HydrophobicContact CG1-CG2 4.32Å; V68-V72 VanDerWaalsContact O-CG2 3.29Å; V68-V72 WeakPolarHBondContact O-CG2 3.14Å; V68-V72 PolarHBondContact O-N 3.46Å; V69-V72 PolarHBondContact O-N 2.89Å; V72-Y75 PolarHBondContact O-N 3.14Å; V72-M76 WeakPolarHBondContact O-CB 3.34Å; V72-M76 PolarHBondContact O-N 2.89Å; V72-I132 HydrophobicContact CG2-CG2 4.32Å; V72-L136 HydrophobicContact CG2-CD2 3.76Å; V72-L283 HydrophobicContact CG1-CD2 4.2Å; V72-F287 HydrophobicContact CB-CD2 4.42Å; V72-F287 HydrophobicContact CG1-CB 3.73Å; V72-F287 HydrophobicContact CG1-CD2 4.12Å; V72-F287 HydrophobicContact CG1-CG 4.42Å
73A88.5Confident87.4Confident0 Ų045.7 Ų45.70%023%0.233CC..Hα-helixtrans-61.7-47.917800000111.8V69 K70 Y75 M76 G77 L91 F287 L378 L379V69-A73 WeakPolarHBondContact O-CB 3.42Å; V69-A73 PolarHBondContact O-N 2.85Å; K70-A73 PolarHBondContact O-N 2.93Å; A73-Y75 PolarHBondContact O-N 2.81Å; A73-M76 WeakPolarHBondContact O-CB 3.4Å; A73-M76 PolarHBondContact O-N 3.42Å; A73-G77 PolarHBondContact O-N 2.97Å; A73-L91 HydrophobicContact CB-CD1 4.09Å; A73-L91 HydrophobicContact CB-CD2 4.29Å; A73-F287 HydrophobicContact CB-CD2 4.37Å; A73-F287 HydrophobicContact CB-CE2 3.94Å; A73-L378 HydrophobicContact CB-CB 4.06Å; A73-L379 HydrophobicContact CB-CD2 3.96Å; A73-L379 HydrophobicContact CB-CG 4.5Å
74Q88.8Confident86.3Confident81 Ų8146.4 Ų46.438%0.37923%0.229SC..Hα-helixtrans-59.9-47.3177.6-176.45946.500111.1K70 M76 G77 D78K70-Q74 WeakPolarHBondContact O-CB 3.38Å; K70-Q74 PolarHBondContact O-N 2.96Å; Q74-M76 VanDerWaalsContact C-N 3.29Å; Q74-M76 PolarHBondContact O-N 3.45Å; Q74-G77 CarbonylContact O-C 3.57Å; Q74-G77 WeakPolarHBondContact O-CA 3.17Å; Q74-G77 PolarHBondContact O-N 2.94Å; Q74-D78 PolarHBondContact NE2-OD1 3.33Å; Q74-D78 PolarHBondContact O-N 3.28Å
75Y89.6Confident85Confident18 Ų1850.3 Ų50.37%0.07125%0.253CS..Hα-helixtrans-64.7-34.3179.3-170.7-112.3000112.5K71 V72 A73 G77 D78 V79 L136 A140 N144 L279 L283K71-Y75 WeakPolarHBondContact O-CB 3.31Å; K71-Y75 PolarHBondContact O-N 3.41Å; V72-Y75 PolarHBondContact O-N 3.14Å; A73-Y75 PolarHBondContact O-N 2.81Å; Y75-G77 VanDerWaalsContact C-N 3.27Å; Y75-G77 PolarHBondContact O-N 2.78Å; Y75-D78 PolarHBondContact O-N 3.49Å; Y75-V79 HydrophobicContact CD1-CG2 4.02Å; Y75-V79 HydrophobicContact CE1-CG2 3.56Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 HydrophobicContact CG-CG2 4.47Å; Y75-V79 WeakPolarHBondContact O-CB 3.37Å; Y75-V79 VanDerWaalsContact O-CG2 3.3Å; Y75-V79 WeakPolarHBondContact O-CG2 3.31Å; Y75-V79 PolarHBondContact O-N 2.88Å; Y75-L136 HydrophobicContact CD1-CD1 3.68Å; Y75-L136 HydrophobicContact CE1-CD1 4.36Å; Y75-L136 HydrophobicContact CG-CD1 4.26Å; Y75-A140 HydrophobicContact CD1-CB 4.39Å; Y75-A140 HydrophobicContact CD2-CB 4.32Å; Y75-A140 HydrophobicContact CE1-CB 3.8Å; Y75-A140 HydrophobicContact CE2-CB 3.74Å; Y75-A140 VanDerWaalsContact CZ-CB 3.46Å; Y75-A140 VanDerWaalsContact OH-CA 3.31Å; Y75-A140 WeakPolarHBondContact OH-CA 3.4Å; Y75-N144 PolarHBondContact OH-OD1 3.29Å; Y75-L279 HydrophobicContact CE1-CD1 4.5Å; Y75-L279 HydrophobicContact CE1-CD2 4.38Å; Y75-L283 HydrophobicContact CD1-CD1 3.92Å; Y75-L283 HydrophobicContact CD1-CD2 3.84Å; Y75-L283 HydrophobicContact CE1-CD1 4.17Å; Y75-L283 HydrophobicContact CE1-CD2 4.45Å
76M87.6Confident83.9Confident2 Ų255 Ų551%0.0127%0.273CS..Hα-helixtrans-60.4-39.1170.6-171.470.9-171.500111.5V72 A73 Q74 L80 N90 L91 V280 L283 K284V72-M76 WeakPolarHBondContact O-CB 3.34Å; V72-M76 PolarHBondContact O-N 2.89Å; A73-M76 WeakPolarHBondContact O-CB 3.4Å; A73-M76 PolarHBondContact O-N 3.42Å; Q74-M76 VanDerWaalsContact C-N 3.29Å; Q74-M76 PolarHBondContact O-N 3.45Å; M76-L80 HydrophobicContact CE-CD1 3.37Å; M76-L80 HydrophobicContact CE-CG 4.1Å; M76-L80 HydrophobicContact CG-CD1 4.23Å; M76-L80 WeakPolarHBondContact O-CB 3.38Å; M76-L80 WeakPolarHBondContact O-CG 3.45Å; M76-L80 PolarHBondContact O-N 3.5Å; M76-L80 VanDerWaalsContact O-N 3.08Å; M76-L80 HydrophobicContact SD-CD1 4.41Å; M76-N90 HydrophobicContact CE-CB 3.69Å; M76-L91 HydrophobicContact CB-CD2 4.43Å; M76-L91 HydrophobicContact CG-CD2 4.35Å; M76-V280 HydrophobicContact CE-CB 4.45Å; M76-V280 HydrophobicContact CE-CG1 3.67Å; M76-V280 HydrophobicContact CE-CG2 4.46Å; M76-L283 HydrophobicContact SD-CB 3.58Å; M76-L283 VanDerWaalsContact SD-CB 3.58Å; M76-L283 HydrophobicContact SD-CD1 3.76Å; M76-L283 HydrophobicContact SD-CG 4.31Å; M76-K284 HydrophobicContact CE-CG 4.24Å
77G86Confident83.1Confident2 Ų252.6 Ų52.62%0.02126%0.262CS..Hα-helixtrans-62.9-42.7172.600000113.4A73 Q74 Y75 L80 E81A73-G77 PolarHBondContact O-N 2.97Å; Q74-G77 CarbonylContact O-C 3.57Å; Q74-G77 WeakPolarHBondContact O-CA 3.17Å; Q74-G77 PolarHBondContact O-N 2.94Å; Y75-G77 VanDerWaalsContact C-N 3.27Å; Y75-G77 PolarHBondContact O-N 2.78Å; G77-L80 CarbonylContact O-C 3.53Å; G77-L80 PolarHBondContact O-N 3.35Å; G77-E81 PolarHBondContact O-N 3.16Å
78D86.1Confident82Confident64 Ų6456 Ų5634%0.34227%0.271SS..Hα-helixtrans-69.8-35.7178.9-57.8-19.5000112.1Q74 Y75 L80 E81Q74-D78 PolarHBondContact NE2-OD1 3.33Å; Q74-D78 PolarHBondContact O-N 3.28Å; Y75-D78 PolarHBondContact O-N 3.49Å; D78-L80 VanDerWaalsContact C-N 3.33Å; D78-E81 VanDerWaalsContact O-CD 3.3Å; D78-E81 WeakPolarHBondContact O-CG 3.44Å
79V86Confident81Confident15 Ų1562.1 Ų62.19%0.09130%0.299CS..Hα-helixtrans-70.5-33.4175.7171.50000111.1Y75 Y143 F276 L279 V280 L283Y75-V79 HydrophobicContact CD1-CG2 4.02Å; Y75-V79 HydrophobicContact CE1-CG2 3.56Å; Y75-V79 HydrophobicContact CE2-CG2 4.09Å; Y75-V79 HydrophobicContact CG-CG2 4.47Å; Y75-V79 WeakPolarHBondContact O-CB 3.37Å; Y75-V79 VanDerWaalsContact O-CG2 3.3Å; Y75-V79 WeakPolarHBondContact O-CG2 3.31Å; Y75-V79 PolarHBondContact O-N 2.88Å; V79-Y143 HydrophobicContact CG2-CD1 4.48Å; V79-Y143 HydrophobicContact CG2-CE1 4.36Å; V79-F276 HydrophobicContact CG1-CD2 3.86Å; V79-F276 HydrophobicContact CG1-CE2 3.56Å; V79-F276 WeakPolarHBondContact O-CE2 3.48Å; V79-L279 HydrophobicContact CG1-CD2 4.38Å; V79-L279 HydrophobicContact CG2-CD2 4.13Å; V79-V280 HydrophobicContact CG1-CG2 3.93Å; V79-L283 HydrophobicContact CG2-CD1 4.26Å
80L83.1Confident80.2Confident13 Ų1363.5 Ų63.57%0.06831%0.307CS..THydrogen-bonded Turntrans-97.130.7178.1-67.9175.2000113.3M76 G77 D78 D82 N83 K84 V87 N90 F276 V280M76-L80 HydrophobicContact CE-CD1 3.37Å; M76-L80 HydrophobicContact CE-CG 4.1Å; M76-L80 HydrophobicContact CG-CD1 4.23Å; M76-L80 WeakPolarHBondContact O-CB 3.38Å; M76-L80 WeakPolarHBondContact O-CG 3.45Å; M76-L80 PolarHBondContact O-N 3.5Å; M76-L80 VanDerWaalsContact O-N 3.08Å; M76-L80 HydrophobicContact SD-CD1 4.41Å; G77-L80 CarbonylContact O-C 3.53Å; G77-L80 PolarHBondContact O-N 3.35Å; D78-L80 VanDerWaalsContact C-N 3.33Å; L80-D82 PolarHBondContact O-N 3.39Å; L80-N83 CarbonylContact O-C 3.41Å; L80-N83 WeakPolarHBondContact O-CA 3.21Å; L80-N83 PolarHBondContact O-N 3.42Å; L80-K84 PolarHBondContact O-N 3.33Å; L80-V87 HydrophobicContact CB-CG2 3.82Å; L80-V87 HydrophobicContact CD1-CG2 3.87Å; L80-N90 WeakPolarHBondContact CD1-ND2 3.26Å; L80-F276 HydrophobicContact CD2-CE2 4.48Å; L80-F276 HydrophobicContact CD2-CZ 3.9Å; L80-V280 HydrophobicContact CD2-CG2 4.49Å
81E73.3Confident79.7Confident97 Ų9760.1 Ų60.145%0.45329%0.293SS..G310 helixtrans-44.9-40.2-179.7-89.5162.9-160.100113.8G77 D78 N83 K147G77-E81 PolarHBondContact O-N 3.16Å; D78-E81 VanDerWaalsContact O-CD 3.3Å; D78-E81 WeakPolarHBondContact O-CG 3.44Å; E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 2.96Å; E81-K147 IonicContact OE1-NZ 2.76Å; E81-K147 PolarHBondContact OE1-NZ 3.18Å; E81-K147 IonicContact OE2-NZ 3Å; E81-K147 PolarHBondContact OE2-NZ 2.94Å
82D68.4Low79.4Confident155 Ų15558.5 Ų58.583%0.82929%0.288SS*.G310 helixtrans-79.7-10.1-179.8-58.4-40.3000114.2L80L80-D82 PolarHBondContact O-N 3.39Å
83N73.1Confident79Confident62 Ų6258.5 Ų58.533%0.33229%0.288SS..G310 helixtrans-140.148.4-175.4-69-88.1000111.1L80 E81 D85 K86L80-N83 CarbonylContact O-C 3.41Å; L80-N83 WeakPolarHBondContact O-CA 3.21Å; L80-N83 PolarHBondContact O-N 3.42Å; E81-N83 VanDerWaalsContact C-N 3.33Å; E81-N83 PolarHBondContact O-N 2.96Å; N83-D85 PolarHBondContact O-N 3.45Å; N83-D85 VanDerWaalsContact O-N 3.14Å; N83-K86 HydrophobicContact CB-CB 4.23Å; N83-K86 HydrophobicContact CB-CD 3.99Å; N83-K86 HydrophobicContact CB-CG 4.17Å; N83-K86 WeakPolarHBondContact O-CB 3.33Å; N83-K86 PolarHBondContact O-N 2.99Å; N83-K86 PolarHBondContact OD1-NZ 3.28Å
84K69.4Low78.7Confident108 Ų10864.5 Ų64.547%0.4732%0.32SS..THydrogen-bonded Turntrans-54.2-33.8-179.7-71.7-174.5179.9-178.50113.2L80 K86 V87 F381L80-K84 PolarHBondContact O-N 3.33Å; K84-K86 PolarHBondContact O-N 2.83Å; K84-V87 VanDerWaalsContact O-CB 3.26Å; K84-V87 WeakPolarHBondContact O-CB 3.19Å; K84-V87 VanDerWaalsContact O-CG2 3.27Å; K84-V87 WeakPolarHBondContact O-CG2 3.35Å; K84-V87 PolarHBondContact O-N 3.01Å; K84-F381 HydrophobicContact CD-CE1 4Å; K84-F381 HydrophobicContact CG-CE1 4.48Å
85D68.2Low78.3Confident148 Ų14863.6 Ų63.679%0.79133%0.333SS*.Hα-helixtrans-62.1-30.8177.4-54.4-39.4000112.5N83 V87N83-D85 PolarHBondContact O-N 3.45Å; N83-D85 VanDerWaalsContact O-N 3.14Å; D85-V87 VanDerWaalsContact C-N 3.3Å; D85-V87 PolarHBondContact O-N 3.06Å
86K70.3Confident78.1Confident99 Ų9965.6 Ų65.643%0.4335%0.346SS..Hα-helixtrans-80.2-9.6177.1-60.4-176-176.8149.70112.8N83 K84 Q88 E89 N90N83-K86 HydrophobicContact CB-CB 4.23Å; N83-K86 HydrophobicContact CB-CD 3.99Å; N83-K86 HydrophobicContact CB-CG 4.17Å; N83-K86 WeakPolarHBondContact O-CB 3.33Å; N83-K86 PolarHBondContact O-N 2.99Å; N83-K86 PolarHBondContact OD1-NZ 3.28Å; K84-K86 PolarHBondContact O-N 2.83Å; K86-Q88 VanDerWaalsContact C-N 3.34Å; K86-Q88 PolarHBondContact O-N 2.86Å; K86-E89 PolarHBondContact O-N 2.8Å; K86-N90 VanDerWaalsContact O-CG 3.23Å; K86-N90 PolarHBondContact O-N 3.42Å; K86-N90 PolarHBondContact O-ND2 3.03Å
87V73.8Confident78Confident0 Ų068.8 Ų68.80%036%0.363CS..Hα-helixtrans-62.4-46.1-178.5179.10000109.6L80 K84 D85 E89 N90 L91 L379L80-V87 HydrophobicContact CB-CG2 3.82Å; L80-V87 HydrophobicContact CD1-CG2 3.87Å; K84-V87 VanDerWaalsContact O-CB 3.26Å; K84-V87 WeakPolarHBondContact O-CB 3.19Å; K84-V87 VanDerWaalsContact O-CG2 3.27Å; K84-V87 WeakPolarHBondContact O-CG2 3.35Å; K84-V87 PolarHBondContact O-N 3.01Å; D85-V87 VanDerWaalsContact C-N 3.3Å; D85-V87 PolarHBondContact O-N 3.06Å; V87-E89 VanDerWaalsContact C-N 3.3Å; V87-E89 PolarHBondContact O-N 2.92Å; V87-N90 PolarHBondContact O-N 2.83Å; V87-L91 HydrophobicContact CG1-CD1 4.05Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CG 3.25Å; V87-L91 PolarHBondContact O-N 3.3Å; V87-L91 VanDerWaalsContact O-N 3.1Å; V87-L379 HydrophobicContact CB-CD1 4.45Å; V87-L379 HydrophobicContact CG1-CD1 3.52Å
88Q69.9Low77.9Confident133 Ų13369.5 Ų69.562%0.62137%0.367SS*.Hα-helixtrans-64.6-34179.1-64.7-148.4-15.800113K86 N90 L91K86-Q88 VanDerWaalsContact C-N 3.34Å; K86-Q88 PolarHBondContact O-N 2.86Å; Q88-N90 PolarHBondContact O-N 3.34Å; Q88-L91 PolarHBondContact O-N 3.36Å
89E72.5Confident77.9Confident130 Ų13068.6 Ų68.661%0.60736%0.363SS*.Hα-helixtrans-66.6-22.9174.9-59-179.2162.500112.9K86 V87 L92K86-E89 PolarHBondContact O-N 2.8Å; V87-E89 VanDerWaalsContact C-N 3.3Å; V87-E89 PolarHBondContact O-N 2.92Å; E89-L92 WeakPolarHBondContact O-CG 3.42Å
90N76.1Confident77.8Confident28 Ų2870.2 Ų70.215%0.1537%0.374CS..Hα-helixtrans-96-19.2-177.9-69.2-48.8000113.1M76 L80 K86 V87 Q88 L92 K284M76-N90 HydrophobicContact CE-CB 3.69Å; L80-N90 WeakPolarHBondContact CD1-ND2 3.26Å; K86-N90 VanDerWaalsContact O-CG 3.23Å; K86-N90 PolarHBondContact O-N 3.42Å; K86-N90 PolarHBondContact O-ND2 3.03Å; V87-N90 PolarHBondContact O-N 2.83Å; Q88-N90 PolarHBondContact O-N 3.34Å; N90-L92 VanDerWaalsContact C-N 3.29Å; N90-L92 PolarHBondContact O-N 3.24Å; N90-L92 VanDerWaalsContact O-N 3.09Å; N90-K284 HydrophobicContact CB-CG 4.31Å; N90-K284 WeakPolarHBondContact OD1-CE 3.46Å; N90-K284 PolarHBondContact OD1-NZ 3.05Å
91L80.7Confident78Confident15 Ų1571.1 Ų71.18%0.07938%0.376CS..  trans-84.971.5177.2-65.9-177.7000110.7A73 M76 V87 Q88 F287 L379A73-L91 HydrophobicContact CB-CD1 4.09Å; A73-L91 HydrophobicContact CB-CD2 4.29Å; M76-L91 HydrophobicContact CB-CD2 4.43Å; M76-L91 HydrophobicContact CG-CD2 4.35Å; V87-L91 HydrophobicContact CG1-CD1 4.05Å; V87-L91 HydrophobicContact CG1-CG 4.27Å; V87-L91 WeakPolarHBondContact O-CG 3.25Å; V87-L91 PolarHBondContact O-N 3.3Å; V87-L91 VanDerWaalsContact O-N 3.1Å; Q88-L91 PolarHBondContact O-N 3.36Å; L91-F287 HydrophobicContact CB-CD1 4.22Å; L91-F287 HydrophobicContact CB-CE1 3.59Å; L91-F287 HydrophobicContact CB-CZ 3.91Å; L91-F287 HydrophobicContact CD1-CZ 4.44Å; L91-F287 HydrophobicContact CD2-CD1 3.72Å; L91-F287 HydrophobicContact CD2-CD2 3.79Å; L91-F287 HydrophobicContact CD2-CE1 3.73Å; L91-F287 HydrophobicContact CD2-CE2 3.8Å; L91-F287 HydrophobicContact CD2-CG 3.75Å; L91-F287 HydrophobicContact CD2-CZ 3.77Å; L91-F287 HydrophobicContact CG-CE1 4.19Å; L91-F287 HydrophobicContact CG-CZ 4.23Å; L91-L379 HydrophobicContact CD1-CD1 3.72Å; L91-L379 HydrophobicContact CD1-CG 4.2Å
92L84.5Confident78.6Confident59 Ų5966.6 Ų66.631%0.30936%0.355SS..  trans-108.4145.8178.5-56.6177.7000110.7E89 N90 V96 S288E89-L92 WeakPolarHBondContact O-CG 3.42Å; N90-L92 VanDerWaalsContact C-N 3.29Å; N90-L92 PolarHBondContact O-N 3.24Å; N90-L92 VanDerWaalsContact O-N 3.09Å; L92-V96 CarbonylContact C-O 3.59Å; L92-V96 WeakPolarHBondContact CA-O 3.08Å; L92-S288 WeakPolarHBondContact O-CB 3.4Å
93A82.6Confident79.4Confident0 Ų060.1 Ų60.10%032%0.322CS..BIsolated β-bridgetrans-103.7114.716900000108.7G95 V96 L98 Y101 F291A93-G95 PolarHBondContact O-N 2.91Å; A93-V96 PolarHBondContact N-O 2.94Å; A93-V96 PolarHBondContact O-N 2.98Å; A93-V96 VanDerWaalsContact O-O 3.13Å; A93-L98 HydrophobicContact CB-CD2 3.84Å; A93-Y101 HydrophobicContact CB-CD1 4.22Å; A93-Y101 HydrophobicContact CB-CD2 3.99Å; A93-Y101 HydrophobicContact CB-CG 3.79Å; A93-F291 HydrophobicContact CB-CD1 3.64Å; A93-F291 HydrophobicContact CB-CE1 4.19Å; A93-F291 HydrophobicContact CB-CG 4.47Å
94N82.9Confident80Confident126 Ų12666.8 Ų66.867%0.67434%0.343SS*.THydrogen-bonded Turntrans54.136.2-176.6-16125.7000113.7V96 S288 I292N94-V96 PolarHBondContact O-N 2.88Å; N94-S288 PolarHBondContact N-OG 3.18Å; N94-I292 HydrophobicContact CB-CD1 4.33Å
95G80Confident80.8Confident62 Ų6261.9 Ų61.964%0.63932%0.321SS*.THydrogen-bonded Turntrans76.66-178.200000115A93A93-G95 PolarHBondContact O-N 2.91Å
96V85.9Confident81.7Confident59 Ų5962 Ų6236%0.35832%0.317SS..BIsolated β-bridgetrans-116.6152.9178.3-176.10000109.1L92 A93 N94 T100L92-V96 CarbonylContact C-O 3.59Å; L92-V96 WeakPolarHBondContact CA-O 3.08Å; A93-V96 PolarHBondContact N-O 2.94Å; A93-V96 PolarHBondContact O-N 2.98Å; A93-V96 VanDerWaalsContact O-O 3.13Å; N94-V96 PolarHBondContact O-N 2.88Å; V96-T100 HydrophobicContact CG1-CG2 3.48Å; V96-T100 VanDerWaalsContact CG1-CG2 3.48Å
97D85.3Confident82.5Confident69 Ų6958.3 Ų58.337%0.36930%0.3SS..  trans-62.7152.217471-85.7000111.6V99 T100 Y101D97-V99 VanDerWaalsContact C-N 3.28Å; D97-V99 PolarHBondContact O-N 3.22Å; D97-V99 WeakPolarHBondContact OD2-CB 3.47Å; D97-V99 PolarHBondContact OD2-N 3.06Å; D97-T100 PolarHBondContact O-N 3.48Å; D97-T100 WeakPolarHBondContact OD1-CB 3.37Å; D97-T100 PolarHBondContact OD1-OG1 3.39Å; D97-T100 WeakPolarHBondContact OD2-CB 3.5Å; D97-T100 PolarHBondContact OD2-N 3.1Å; D97-T100 PolarHBondContact OD2-OG1 2.83Å; D97-T100 VanDerWaalsContact OD2-OG1 3.06Å; D97-Y101 WeakPolarHBondContact O-CB 3.26Å; D97-Y101 PolarHBondContact O-N 3.36Å
98L84.3Confident83.1Confident18 Ų1860.5 Ų60.59%0.09431%0.312CS..Hα-helixtrans-59.9-38.8-174-56.3178.8000112.5A93 Y101 V102 F287 F291 C376 L378A93-L98 HydrophobicContact CB-CD2 3.84Å; L98-Y101 PolarHBondContact O-N 2.79Å; L98-V102 VanDerWaalsContact O-CG2 3.25Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.05Å; L98-F287 HydrophobicContact CD1-CZ 4.12Å; L98-F287 HydrophobicContact CD2-CE1 3.94Å; L98-F287 HydrophobicContact CD2-CZ 4.19Å; L98-F291 HydrophobicContact CB-CE1 4.3Å; L98-F291 HydrophobicContact CB-CE2 4.42Å; L98-F291 HydrophobicContact CB-CZ 3.92Å; L98-F291 HydrophobicContact CD1-CE2 4.22Å; L98-F291 HydrophobicContact CD2-CD1 3.79Å; L98-F291 HydrophobicContact CD2-CD2 3.98Å; L98-F291 HydrophobicContact CD2-CE1 3.75Å; L98-F291 HydrophobicContact CD2-CE2 3.96Å; L98-F291 HydrophobicContact CD2-CG 3.89Å; L98-F291 HydrophobicContact CD2-CZ 3.85Å; L98-F291 HydrophobicContact CG-CE2 4.43Å; L98-F291 HydrophobicContact CG-CZ 4.32Å; L98-C376 HydrophobicContact CB-CB 4.4Å; L98-L378 HydrophobicContact CD1-CD1 3.48Å; L98-L378 VanDerWaalsContact CD1-CD1 3.48Å; L98-L378 HydrophobicContact CD1-CG 4.42Å
99V84.7Confident83.9Confident44 Ų4459.5 Ų59.527%0.26731%0.309SS..Hα-helixtrans-66-47.3-178174.40000109.7F4 D97 S103F4-V99 HydrophobicContact CE2-CB 4.46Å; F4-V99 HydrophobicContact CE2-CG1 4.28Å; F4-V99 HydrophobicContact CE2-CG2 4.33Å; F4-V99 HydrophobicContact CZ-CB 4.2Å; F4-V99 HydrophobicContact CZ-CG1 3.62Å; F4-V99 HydrophobicContact CZ-CG2 4.47Å; D97-V99 VanDerWaalsContact C-N 3.28Å; D97-V99 PolarHBondContact O-N 3.22Å; D97-V99 WeakPolarHBondContact OD2-CB 3.47Å; D97-V99 PolarHBondContact OD2-N 3.06Å; V99-S103 VanDerWaalsContact O-CB 3.31Å; V99-S103 WeakPolarHBondContact O-CB 3.2Å; V99-S103 PolarHBondContact O-N 2.9Å; V99-S103 PolarHBondContact O-OG 3.16Å
100T85.7Confident84.5Confident50 Ų5057.8 Ų57.831%0.30732%0.317SS..Hα-helixtrans-66.3-39.7176.9-61.30000111.3V96 D97 S103 R104V96-T100 HydrophobicContact CG1-CG2 3.48Å; V96-T100 VanDerWaalsContact CG1-CG2 3.48Å; D97-T100 PolarHBondContact O-N 3.48Å; D97-T100 WeakPolarHBondContact OD1-CB 3.37Å; D97-T100 PolarHBondContact OD1-OG1 3.39Å; D97-T100 WeakPolarHBondContact OD2-CB 3.5Å; D97-T100 PolarHBondContact OD2-N 3.1Å; D97-T100 PolarHBondContact OD2-OG1 2.83Å; D97-T100 VanDerWaalsContact OD2-OG1 3.06Å; T100-S103 PolarHBondContact O-N 3.41Å; T100-R104 PolarHBondContact O-N 3.1Å
101Y86.3Confident84.9Confident31 Ų3159.9 Ų59.912%0.12233%0.325CS..Hα-helixtrans-59.8-50.4176.6179-89.2000111.5A93 D97 L98 S103 R104 F105 F291 I292 I295A93-Y101 HydrophobicContact CB-CD1 4.22Å; A93-Y101 HydrophobicContact CB-CD2 3.99Å; A93-Y101 HydrophobicContact CB-CG 3.79Å; D97-Y101 WeakPolarHBondContact O-CB 3.26Å; D97-Y101 PolarHBondContact O-N 3.36Å; L98-Y101 PolarHBondContact O-N 2.79Å; Y101-S103 VanDerWaalsContact C-N 3.32Å; Y101-S103 PolarHBondContact O-N 3.43Å; Y101-R104 CarbonylContact O-C 3.52Å; Y101-R104 PolarHBondContact O-N 2.76Å; Y101-F105 HydrophobicContact CE1-CD2 4.25Å; Y101-F105 WeakPolarHBondContact O-CA 3.27Å; Y101-F105 PolarHBondContact O-N 3.08Å; Y101-F105 VanDerWaalsContact O-N 3.07Å; Y101-F291 HydrophobicContact CD1-CD1 4.17Å; Y101-F291 AromaticContact CD1-CE1 3.79Å; Y101-F291 HydrophobicContact CD1-CE1 3.79Å; Y101-F291 HydrophobicContact CE1-CD1 4.45Å; Y101-F291 HydrophobicContact CE1-CE1 4.38Å; Y101-I292 HydrophobicContact CE1-CG1 4.41Å; Y101-I292 HydrophobicContact CE2-CG1 4.08Å; Y101-I295 HydrophobicContact CE1-CB 4.31Å; Y101-I295 HydrophobicContact CE1-CG1 4.12Å; Y101-I295 HydrophobicContact CE1-CG2 4.47Å
102V85.8Confident85.3Confident2 Ų259.2 Ų59.21%0.01232%0.321CS..Hα-helixtrans-65-38.6179.8-178.10000110.8L98 R104 F105 F291 I295 L321 I374L98-V102 VanDerWaalsContact O-CG2 3.25Å; L98-V102 WeakPolarHBondContact O-CG2 3.49Å; L98-V102 PolarHBondContact O-N 3.05Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.36Å; V102-F105 PolarHBondContact O-N 3.49Å; V102-F291 HydrophobicContact CG2-CE1 3.89Å; V102-F291 HydrophobicContact CG2-CZ 3.75Å; V102-I295 HydrophobicContact CG2-CD1 3.81Å; V102-I295 HydrophobicContact CG2-CG1 4.22Å; V102-L321 HydrophobicContact CG1-CD1 3.79Å; V102-L321 HydrophobicContact CG1-CD2 3.67Å; V102-L321 HydrophobicContact CG1-CG 4.38Å; V102-I374 HydrophobicContact CG1-CD1 4.43Å
103S84.9Confident85.4Confident19 Ų1958.3 Ų58.313%0.13332%0.319CS..Hα-helixtrans-68.6-24179.5-56.30000114V99 T100 Y101V99-S103 VanDerWaalsContact O-CB 3.31Å; V99-S103 WeakPolarHBondContact O-CB 3.2Å; V99-S103 PolarHBondContact O-N 2.9Å; V99-S103 PolarHBondContact O-OG 3.16Å; T100-S103 PolarHBondContact O-N 3.41Å; Y101-S103 VanDerWaalsContact C-N 3.32Å; Y101-S103 PolarHBondContact O-N 3.43Å
104R85.9Confident85.7Confident202 Ų20260.9 Ų60.976%0.76233%0.332SS*.THydrogen-bonded Turntrans-119.231.3179-61.2-174.4-179.2-164.91.5112.1T100 Y101 V102 Q106T100-R104 PolarHBondContact O-N 3.1Å; Y101-R104 CarbonylContact O-C 3.52Å; Y101-R104 PolarHBondContact O-N 2.76Å; V102-R104 VanDerWaalsContact C-N 3.29Å; V102-R104 PolarHBondContact O-N 3.36Å; R104-Q106 PolarHBondContact O-N 3.41Å
105F86.6Confident85.8Confident6 Ų663.9 Ų63.93%0.02634%0.339CS..  trans-55.4133.5-177.4173.9-99000111.7F38 Y101 V102 W107 I295 H296 A299F38-F105 HydrophobicContact CD1-CD1 4.19Å; F38-F105 HydrophobicContact CD1-CE1 4.46Å; F38-F105 HydrophobicContact CD2-CB 3.89Å; F38-F105 AromaticContact CD2-CD1 3.81Å; F38-F105 HydrophobicContact CD2-CD1 3.81Å; F38-F105 HydrophobicContact CD2-CG 4.08Å; F38-F105 AromaticContact CE1-CD1 3.67Å; F38-F105 HydrophobicContact CE1-CD1 3.67Å; F38-F105 AromaticContact CE1-CE1 3.65Å; F38-F105 HydrophobicContact CE1-CE1 3.65Å; F38-F105 HydrophobicContact CE2-CB 3.51Å; F38-F105 AromaticContact CE2-CD1 3.24Å; F38-F105 HydrophobicContact CE2-CD1 3.24Å; F38-F105 HydrophobicContact CE2-CD2 4.16Å; F38-F105 AromaticContact CE2-CE1 3.96Å; F38-F105 HydrophobicContact CE2-CE1 3.96Å; F38-F105 AromaticContact CE2-CG 3.34Å; F38-F105 HydrophobicContact CE2-CG 3.34Å; F38-F105 HydrophobicContact CG-CD1 4.25Å; F38-F105 HydrophobicContact CZ-CB 4.3Å; F38-F105 AromaticContact CZ-CD1 3.16Å; F38-F105 HydrophobicContact CZ-CD1 3.16Å; F38-F105 HydrophobicContact CZ-CD2 4.22Å; F38-F105 AromaticContact CZ-CE1 3.36Å; F38-F105 HydrophobicContact CZ-CE1 3.36Å; F38-F105 HydrophobicContact CZ-CE2 4.37Å; F38-F105 AromaticContact CZ-CG 3.62Å; F38-F105 HydrophobicContact CZ-CG 3.62Å; F38-F105 AromaticContact CZ-CZ 3.97Å; F38-F105 HydrophobicContact CZ-CZ 3.97Å; Y101-F105 HydrophobicContact CE1-CD2 4.25Å; Y101-F105 WeakPolarHBondContact O-CA 3.27Å; Y101-F105 PolarHBondContact O-N 3.08Å; Y101-F105 VanDerWaalsContact O-N 3.07Å; V102-F105 PolarHBondContact O-N 3.49Å; F105-W107 HydrophobicContact CZ-CE3 4.18Å; F105-I295 HydrophobicContact CD2-CB 4.43Å; F105-I295 HydrophobicContact CD2-CG2 3.4Å; F105-I295 HydrophobicContact CE2-CB 4.36Å; F105-I295 HydrophobicContact CE2-CG2 3.56Å; F105-I295 HydrophobicContact CG-CG2 4.1Å; F105-I295 HydrophobicContact CZ-CG2 4.37Å; F105-H296 AromaticContact CE2-CE1 3.73Å; F105-H296 AromaticContact CE2-ND1 3.98Å; F105-H296 AromaticContact CE2-NE2 3.92Å; F105-H296 AromaticContact CZ-NE2 3.92Å; F105-A299 HydrophobicContact CE1-CB 4.31Å; F105-A299 HydrophobicContact CZ-CB 4.24Å
106Q86.5Confident86.1Confident149 Ų14964.1 Ų64.170%0.69632%0.324SS*.  trans-131.7141.8167.8-66.7-172.8-0.300108.4R104 D108R104-Q106 PolarHBondContact O-N 3.41Å; Q106-D108 PolarHBondContact O-N 3.45Å
107W87.3Confident86.2Confident22 Ų2263.4 Ų63.48%0.08332%0.321CS..  trans-66.9126.5177.9-174.1-84.3000111.4P41 L43 F105 M109 Y112 I121 H296 A299 L300P41-W107 HydrophobicContact CG-CB 3.8Å; P41-W107 HydrophobicContact CG-CD2 3.74Å; P41-W107 HydrophobicContact CG-CE3 4.29Å; P41-W107 HydrophobicContact CG-CG 3.48Å; P41-W107 VanDerWaalsContact CG-CG 3.48Å; L43-W107 HydrophobicContact CD1-CH2 4.17Å; L43-W107 HydrophobicContact CD1-CZ3 4.44Å; L43-W107 HydrophobicContact CD2-CH2 4.35Å; L43-W107 HydrophobicContact CD2-CZ2 3.92Å; F105-W107 HydrophobicContact CZ-CE3 4.18Å; W107-M109 PolarHBondContact O-N 3.04Å; W107-Y112 HydrophobicContact CZ2-CG 4.49Å; W107-Y112 PolarHBondContact NE1-O 2.9Å; W107-I121 HydrophobicContact CZ2-CD1 4.49Å; W107-I121 HydrophobicContact CZ2-CG2 4.42Å; W107-H296 AromaticContact CD2-CD2 3.83Å; W107-H296 AromaticContact CE3-CD2 3.71Å; W107-H296 AromaticContact CZ3-CD2 3.85Å; W107-A299 HydrophobicContact CE3-CB 4.24Å; W107-A299 HydrophobicContact CZ3-CB 3.82Å; W107-L300 HydrophobicContact CH2-CD1 4.39Å; W107-L300 HydrophobicContact CH2-CD2 3.65Å; W107-L300 HydrophobicContact CH2-CG 3.78Å; W107-L300 HydrophobicContact CZ3-CD2 4.36Å; W107-L300 HydrophobicContact CZ3-CG 4.31Å
108D87.2Confident86.3Confident47 Ų4760.5 Ų60.525%0.25131%0.306SS..  trans-78.189.4176.5-171.4-22000110.1Q106 A110 K111 Y112 H296Q106-D108 PolarHBondContact O-N 3.45Å; D108-A110 PolarHBondContact O-N 3.23Å; D108-A110 WeakPolarHBondContact OD1-CB 3.46Å; D108-A110 PolarHBondContact OD1-N 3.35Å; D108-K111 HydrophobicContact CB-CB 4.43Å; D108-K111 PolarHBondContact O-N 3.31Å; D108-K111 PolarHBondContact OD1-N 3.48Å; D108-K111 WeakPolarHBondContact OD2-CD 3.36Å; D108-K111 WeakPolarHBondContact OD2-CG 3.4Å; D108-Y112 HydrophobicContact CB-CD2 4.23Å; D108-Y112 PolarHBondContact O-N 2.97Å; D108-H296 WeakPolarHBondContact CB-NE2 3.14Å; D108-H296 PolarHBondContact N-NE2 2.94Å
109M86.2Confident86.5Confident111 Ų11164.4 Ų64.455%0.54732%0.322SS..THydrogen-bonded Turntrans-67.1-19.8178.8-64.2-170.7-178.700113.6P41 W107 I114P41-M109 HydrophobicContact CB-CE 4.44Å; W107-M109 PolarHBondContact O-N 3.04Å; M109-I114 HydrophobicContact CE-CD1 4.43Å; M109-I114 HydrophobicContact CG-CG2 4.39Å
110A85.9Confident86.8Confident94 Ų9465.8 Ų65.878%0.77733%0.328SS*.THydrogen-bonded Turntrans-78-41.9179.700000110.8D108D108-A110 PolarHBondContact O-N 3.23Å; D108-A110 WeakPolarHBondContact OD1-CB 3.46Å; D108-A110 PolarHBondContact OD1-N 3.35Å
111K83.6Confident87.1Confident72 Ų7263.4 Ų63.431%0.31331%0.313SS..THydrogen-bonded Turntrans-83-35176.4-67.8-170.2179.6-167.30113.1D108 E289D108-K111 HydrophobicContact CB-CB 4.43Å; D108-K111 PolarHBondContact O-N 3.31Å; D108-K111 PolarHBondContact OD1-N 3.48Å; D108-K111 WeakPolarHBondContact OD2-CD 3.36Å; D108-K111 WeakPolarHBondContact OD2-CG 3.4Å; K111-E289 IonicContact NZ-OE1 2.76Å; K111-E289 PolarHBondContact NZ-OE1 3.1Å
112Y88.4Confident87.3Confident1 Ų162.2 Ų62.20%0.00431%0.31CS..SBendtrans-126.383.3-175.8-50.1-61.2000110.8W107 D108 I114 I121 I124 V125 Q128 H296W107-Y112 HydrophobicContact CZ2-CG 4.49Å; W107-Y112 PolarHBondContact NE1-O 2.9Å; D108-Y112 HydrophobicContact CB-CD2 4.23Å; D108-Y112 PolarHBondContact O-N 2.97Å; Y112-I114 PolarHBondContact O-N 3.48Å; Y112-I121 HydrophobicContact CD1-CG2 3.93Å; Y112-I121 HydrophobicContact CG-CG2 4.21Å; Y112-I124 HydrophobicContact CE1-CG2 4.29Å; Y112-V125 HydrophobicContact CD1-CG2 4.02Å; Y112-V125 HydrophobicContact CE1-CG2 3.32Å; Y112-Q128 PolarHBondContact OH-OE1 3.08Å; Y112-H296 HydrophobicContact CD2-CB 4.17Å; Y112-H296 AromaticContact CD2-CD2 3.29Å; Y112-H296 WeakPolarHBondContact CD2-CD2 3.29Å; Y112-H296 AromaticContact CD2-CG 3.61Å; Y112-H296 AromaticContact CD2-NE2 3.66Å; Y112-H296 HydrophobicContact CE2-CB 3.93Å; Y112-H296 AromaticContact CE2-CD2 3.67Å; Y112-H296 AromaticContact CE2-CE1 3.95Å; Y112-H296 AromaticContact CE2-CG 3.48Å; Y112-H296 VanDerWaalsContact CE2-CG 3.48Å; Y112-H296 AromaticContact CE2-ND1 3.68Å; Y112-H296 AromaticContact CE2-NE2 3.97Å
113P88.2Confident87.6Confident40 Ų4067 Ų6726%0.2633%0.332SS..  trans-68.4123.7-174-20.633.5000112.4K115 Q116P113-K115 PolarHBondContact O-N 3.39Å; P113-Q116 HydrophobicContact CB-CG 4.25Å; P113-Q116 PolarHBondContact O-N 3.22Å
114I87.4Confident87.9Confident54 Ų5469.2 Ų69.228%0.27734%0.341SS..THydrogen-bonded Turntrans-60.4-18.4-177.564175.1000114.6P41 L43 M109 Y112 Q116P41-I114 HydrophobicContact CB-CG2 3.92Å; P41-I114 HydrophobicContact CG-CG2 3.71Å; L43-I114 HydrophobicContact CD2-CB 4.24Å; L43-I114 HydrophobicContact CD2-CG2 4.02Å; M109-I114 HydrophobicContact CE-CD1 4.43Å; M109-I114 HydrophobicContact CG-CG2 4.39Å; Y112-I114 PolarHBondContact O-N 3.48Å; I114-Q116 VanDerWaalsContact C-N 3.35Å
115K85.9Confident88.3Confident189 Ų18959.6 Ų59.682%0.82231%0.305SS*.THydrogen-bonded Turntrans-77.9-18.6178-63.8-175.3-179.5-179.40113.2P113P113-K115 PolarHBondContact O-N 3.39Å
116Q87Confident88.6Confident68 Ų6861.5 Ų61.532%0.31832%0.319SS..SBendtrans-78.6161.7178.4-65.1-171.119.600111P113 I114 N120 I121P113-Q116 HydrophobicContact CB-CG 4.25Å; P113-Q116 PolarHBondContact O-N 3.22Å; I114-Q116 VanDerWaalsContact C-N 3.35Å; Q116-N120 HydrophobicContact CB-CB 4.41Å; Q116-I121 HydrophobicContact CB-CG1 4.22Å
117S88.1Confident89.1Confident44 Ų4462 Ų6231%0.30832%0.319SS..BIsolated β-bridgetrans-67.7149.7173.161.10000110.3K119 N120 I121S117-K119 PolarHBondContact O-N 3.38Å; S117-N120 PolarHBondContact O-N 2.67Å; S117-N120 WeakPolarHBondContact OG-CB 3.35Å; S117-N120 PolarHBondContact OG-N 2.82Å; S117-N120 PolarHBondContact OG-OD1 2.9Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.96Å; S117-I121 VanDerWaalsContact O-N 3.12Å
118L86.9Confident89.4Confident8 Ų862.6 Ų62.64%0.04232%0.323CS..Hα-helixtrans-55.7-36.7175.5-62.4169.1000112.2L43 L51 L54 I121 S122 L300 F303 V304L43-L118 HydrophobicContact CB-CD2 3.61Å; L43-L118 HydrophobicContact CD1-CD2 3.71Å; L43-L118 HydrophobicContact CG-CD2 4.2Å; L51-L118 HydrophobicContact CD2-CD1 3.68Å; L54-L118 HydrophobicContact CD2-CB 3.43Å; L54-L118 VanDerWaalsContact CD2-CB 3.43Å; L54-L118 HydrophobicContact CD2-CD1 4.07Å; L54-L118 HydrophobicContact CD2-CG 4.38Å; L118-I121 PolarHBondContact O-N 2.92Å; L118-S122 PolarHBondContact O-N 3.46Å; L118-S122 PolarHBondContact O-OG 3.06Å; L118-L300 HydrophobicContact CD2-CD2 3.68Å; L118-F303 HydrophobicContact CD1-CD1 4.3Å; L118-F303 HydrophobicContact CD1-CE1 4.14Å; L118-F303 HydrophobicContact CD2-CD1 4.26Å; L118-F303 HydrophobicContact CD2-CE1 4.34Å; L118-V304 HydrophobicContact CD1-CG2 4.03Å
119K88.9Confident89.8Confident100 Ų10060.4 Ų60.444%0.43531%0.311SS..Hα-helixtrans-62.2-43.8175.2-176.3173179.6170.50112.6S117 I121 S122 E123S117-K119 PolarHBondContact O-N 3.38Å; K119-I121 VanDerWaalsContact C-N 3.3Å; K119-I121 PolarHBondContact O-N 3.27Å; K119-S122 PolarHBondContact O-N 3.14Å; K119-S122 PolarHBondContact O-OG 3.01Å; K119-E123 WeakPolarHBondContact CE-OE1 3.34Å; K119-E123 WeakPolarHBondContact O-CB 3.48Å; K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.22Å
120N90.3Very high90.2Very high72 Ų7257.5 Ų57.539%0.38530%0.3SS..Hα-helixtrans-65.2-38.7177.5-70.512.9000110.8Q116 S117 E123 I124Q116-N120 HydrophobicContact CB-CB 4.41Å; S117-N120 PolarHBondContact O-N 2.67Å; S117-N120 WeakPolarHBondContact OG-CB 3.35Å; S117-N120 PolarHBondContact OG-N 2.82Å; S117-N120 PolarHBondContact OG-OD1 2.9Å; N120-E123 PolarHBondContact O-N 3.48Å; N120-I124 WeakPolarHBondContact O-CD1 3.49Å; N120-I124 WeakPolarHBondContact O-CG1 3.46Å; N120-I124 PolarHBondContact O-N 3.21Å
121I90.7Very high90.7Very high0 Ų058.4 Ų58.40%029%0.288CS..Hα-helixtrans-64.5-44.2177.3-60.3171.8000110.5L43 W107 Y112 Q116 S117 L118 K119 E123 I124 V125 L300L43-I121 HydrophobicContact CD2-CD1 4.28Å; W107-I121 HydrophobicContact CZ2-CD1 4.49Å; W107-I121 HydrophobicContact CZ2-CG2 4.42Å; Y112-I121 HydrophobicContact CD1-CG2 3.93Å; Y112-I121 HydrophobicContact CG-CG2 4.21Å; Q116-I121 HydrophobicContact CB-CG1 4.22Å; S117-I121 WeakPolarHBondContact O-CG1 3.48Å; S117-I121 PolarHBondContact O-N 2.96Å; S117-I121 VanDerWaalsContact O-N 3.12Å; L118-I121 PolarHBondContact O-N 2.92Å; K119-I121 VanDerWaalsContact C-N 3.3Å; K119-I121 PolarHBondContact O-N 3.27Å; I121-E123 VanDerWaalsContact C-N 3.35Å; I121-E123 PolarHBondContact O-N 2.72Å; I121-I124 PolarHBondContact O-N 3.04Å; I121-V125 WeakPolarHBondContact O-CG2 3.21Å; I121-V125 PolarHBondContact O-N 3.32Å; I121-V125 VanDerWaalsContact O-N 3.08Å; I121-L300 HydrophobicContact CG2-CD1 3.86Å
122S90.8Very high91.3Very high7 Ų755.2 Ų55.25%0.04927%0.274CS..Hα-helixtrans-64.2-38.617765.60000112.2L61 L118 K119 V125 S126L61-S122 WeakPolarHBondContact CD2-O 3.45Å; L118-S122 PolarHBondContact O-N 3.46Å; L118-S122 PolarHBondContact O-OG 3.06Å; K119-S122 PolarHBondContact O-N 3.14Å; K119-S122 PolarHBondContact O-OG 3.01Å; S122-V125 PolarHBondContact O-N 3.37Å; S122-S126 VanDerWaalsContact O-CB 3.31Å; S122-S126 WeakPolarHBondContact O-CB 3.37Å; S122-S126 PolarHBondContact O-N 3.03Å
123E92.3Very high91.6Very high102 Ų10255.7 Ų55.748%0.47728%0.276SS..Hα-helixtrans-64.1-41.8174.5-75175-171.500112.5K119 N120 I121 S126 K127K119-E123 WeakPolarHBondContact CE-OE1 3.34Å; K119-E123 WeakPolarHBondContact O-CB 3.48Å; K119-E123 WeakPolarHBondContact O-CG 3.48Å; K119-E123 PolarHBondContact O-N 3.22Å; N120-E123 PolarHBondContact O-N 3.48Å; I121-E123 VanDerWaalsContact C-N 3.35Å; I121-E123 PolarHBondContact O-N 2.72Å; E123-S126 PolarHBondContact O-N 3.25Å; E123-K127 WeakPolarHBondContact O-CB 3.46Å; E123-K127 PolarHBondContact O-N 2.73Å
124I92.2Very high92Very high66 Ų6657.8 Ų57.834%0.33829%0.285SS..Hα-helixtrans-59.4-48.3175.3-70.4162.7000110.2Y112 N120 I121 K127 Q128Y112-I124 HydrophobicContact CE1-CG2 4.29Å; N120-I124 WeakPolarHBondContact O-CD1 3.49Å; N120-I124 WeakPolarHBondContact O-CG1 3.46Å; N120-I124 PolarHBondContact O-N 3.21Å; I121-I124 PolarHBondContact O-N 3.04Å; I124-K127 PolarHBondContact O-N 3.31Å; I124-Q128 WeakPolarHBondContact O-CB 3.34Å; I124-Q128 PolarHBondContact O-N 2.63Å
125V93.1Very high92.4Very high0 Ų058 Ų580%029%0.287CS..Hα-helixtrans-61.8-47.6177.4173.50000111V65 Y112 I121 S122 K127 Q128 V129 A293 I297V65-V125 HydrophobicContact CG2-CG1 4.41Å; Y112-V125 HydrophobicContact CD1-CG2 4.02Å; Y112-V125 HydrophobicContact CE1-CG2 3.32Å; I121-V125 WeakPolarHBondContact O-CG2 3.21Å; I121-V125 PolarHBondContact O-N 3.32Å; I121-V125 VanDerWaalsContact O-N 3.08Å; S122-V125 PolarHBondContact O-N 3.37Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.48Å; V125-Q128 PolarHBondContact O-N 2.79Å; V125-V129 HydrophobicContact CG1-CG2 4.1Å; V125-V129 WeakPolarHBondContact O-CG2 3.17Å; V125-V129 PolarHBondContact O-N 3.49Å; V125-A293 HydrophobicContact CG1-CB 3.96Å; V125-I297 HydrophobicContact CB-CD1 4.03Å; V125-I297 HydrophobicContact CB-CG1 4.3Å; V125-I297 HydrophobicContact CG1-CD1 3.8Å; V125-I297 HydrophobicContact CG1-CG1 3.57Å; V125-I297 HydrophobicContact CG2-CD1 4.26Å; V125-I297 HydrophobicContact CG2-CG1 4.44Å
126S94.4Very high92.8Very high45 Ų4549.2 Ų49.232%0.31525%0.249SC..Hα-helixtrans-57.3-46.2179.9-177.90000111.9S122 E123 T130S122-S126 VanDerWaalsContact O-CB 3.31Å; S122-S126 WeakPolarHBondContact O-CB 3.37Å; S122-S126 PolarHBondContact O-N 3.03Å; E123-S126 PolarHBondContact O-N 3.25Å; S126-T130 VanDerWaalsContact O-CB 3.25Å; S126-T130 WeakPolarHBondContact O-CB 3.32Å; S126-T130 PolarHBondContact O-N 3.21Å; S126-T130 PolarHBondContact O-OG1 3.4Å
127K95.3Very high93.1Very high160 Ų16050.7 Ų50.770%0.69626%0.255SS*.Hα-helixtrans-63.5-45177.4-173.1177.6179.5-179.70111.9E123 I124 V125 T130 Q131E123-K127 WeakPolarHBondContact O-CB 3.46Å; E123-K127 PolarHBondContact O-N 2.73Å; I124-K127 PolarHBondContact O-N 3.31Å; V125-K127 VanDerWaalsContact C-N 3.33Å; V125-K127 PolarHBondContact O-N 3.48Å; K127-T130 PolarHBondContact O-N 3.48Å; K127-Q131 WeakPolarHBondContact O-CB 3.41Å; K127-Q131 PolarHBondContact O-N 3.43Å
128Q94.2Very high93.4Very high35 Ų3551.6 Ų51.616%0.16427%0.265CS..Hα-helixtrans-60.5-50.4178.5-175.2-174.811.800111.2Y112 I124 V125 T130 Q131 I132 E289Y112-Q128 PolarHBondContact OH-OE1 3.08Å; I124-Q128 WeakPolarHBondContact O-CB 3.34Å; I124-Q128 PolarHBondContact O-N 2.63Å; V125-Q128 PolarHBondContact O-N 2.79Å; Q128-T130 PolarHBondContact O-N 3.22Å; Q128-Q131 WeakPolarHBondContact O-CB 3.49Å; Q128-Q131 PolarHBondContact O-N 3.05Å; Q128-I132 HydrophobicContact CG-CD1 4.21Å; Q128-I132 WeakPolarHBondContact O-CG1 3.23Å; Q128-I132 PolarHBondContact O-N 2.85Å; Q128-E289 PolarHBondContact NE2-OE2 2.94Å
129V94.9Very high93.7Very high0 Ų056.1 Ų56.10%028%0.281CS..Hα-helixtrans-67.8-37-177.7176.30000111.5F64 V65 V68 V125 Q131 I132 D133 A293F64-V129 HydrophobicContact CD1-CG1 4.17Å; F64-V129 HydrophobicContact CE1-CB 4.38Å; F64-V129 HydrophobicContact CE1-CG1 3.78Å; F64-V129 HydrophobicContact CZ-CG1 4.49Å; V65-V129 HydrophobicContact CB-CG1 4.33Å; V65-V129 HydrophobicContact CB-CG2 4.5Å; V65-V129 HydrophobicContact CG1-CG1 4.23Å; V65-V129 HydrophobicContact CG1-CG2 3.94Å; V65-V129 HydrophobicContact CG2-CB 4.27Å; V65-V129 HydrophobicContact CG2-CG1 4.03Å; V65-V129 HydrophobicContact CG2-CG2 3.87Å; V68-V129 HydrophobicContact CB-CG1 3.93Å; V68-V129 HydrophobicContact CG1-CG1 4.04Å; V68-V129 HydrophobicContact CG2-CG1 3.89Å; V125-V129 HydrophobicContact CG1-CG2 4.1Å; V125-V129 WeakPolarHBondContact O-CG2 3.17Å; V125-V129 PolarHBondContact O-N 3.49Å; V129-Q131 VanDerWaalsContact C-N 3.34Å; V129-I132 PolarHBondContact O-N 3Å; V129-D133 PolarHBondContact O-N 2.88Å; V129-A293 HydrophobicContact CG2-CB 4.07Å
130T96.2Very high93.9Very high51 Ų5152 Ų5231%0.31327%0.266SS..Hα-helixtrans-63.2-41.4174.4-59.60000111.6S126 K127 Q128 D133 N134S126-T130 VanDerWaalsContact O-CB 3.25Å; S126-T130 WeakPolarHBondContact O-CB 3.32Å; S126-T130 PolarHBondContact O-N 3.21Å; S126-T130 PolarHBondContact O-OG1 3.4Å; K127-T130 PolarHBondContact O-N 3.48Å; Q128-T130 PolarHBondContact O-N 3.22Å; T130-D133 PolarHBondContact O-N 3.27Å; T130-N134 PolarHBondContact O-N 3.49Å; T130-N134 PolarHBondContact O-ND2 3.48Å
131Q95.9Very high94Very high113 Ų11351.6 Ų51.653%0.52827%0.268SS..Hα-helixtrans-62.5-43.7174.7-176.2175.2-900111.1K127 Q128 V129 D133 N134 D135K127-Q131 WeakPolarHBondContact O-CB 3.41Å; K127-Q131 PolarHBondContact O-N 3.43Å; Q128-Q131 WeakPolarHBondContact O-CB 3.49Å; Q128-Q131 PolarHBondContact O-N 3.05Å; V129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-D133 PolarHBondContact O-N 2.88Å; Q131-N134 PolarHBondContact O-N 3.04Å; Q131-D135 WeakPolarHBondContact O-CB 3.48Å; Q131-D135 PolarHBondContact O-N 3.37Å
132I95.2Very high94.1Very high4 Ų454.5 Ų54.52%0.02129%0.292CS..Hα-helixtrans-59.2-46175.9-67.5168.6000111.5V68 V72 Q128 V129 L136 N286 E289 A290V68-I132 HydrophobicContact CG1-CG2 4.21Å; V72-I132 HydrophobicContact CG2-CG2 4.32Å; Q128-I132 HydrophobicContact CG-CD1 4.21Å; Q128-I132 WeakPolarHBondContact O-CG1 3.23Å; Q128-I132 PolarHBondContact O-N 2.85Å; V129-I132 PolarHBondContact O-N 3Å; I132-L136 VanDerWaalsContact O-CB 3.23Å; I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 PolarHBondContact O-N 2.82Å; I132-N286 HydrophobicContact CG1-CB 4.41Å; I132-N286 HydrophobicContact CG2-CB 4.01Å; I132-E289 HydrophobicContact CD1-CB 4.3Å; I132-A290 HydrophobicContact CD1-CB 4.24Å
133D95.3Very high94.1Very high11 Ų1155.1 Ų55.16%0.05929%0.294CS..Hα-helixtrans-65-40.4179.1-178.953.1000112.2V68 K71 V129 T130 Q131 L136 K137V68-D133 HydrophobicContact CG1-CB 4.15Å; V68-D133 HydrophobicContact CG2-CB 3.88Å; K71-D133 IonicContact NZ-OD1 3.88Å; K71-D133 PolarHBondContact NZ-OD1 3.05Å; V129-D133 PolarHBondContact O-N 2.88Å; T130-D133 PolarHBondContact O-N 3.27Å; Q131-D133 PolarHBondContact O-N 2.88Å; D133-L136 PolarHBondContact O-N 3.39Å; D133-K137 WeakPolarHBondContact O-CG 3.36Å; D133-K137 PolarHBondContact O-N 2.91Å; D133-K137 WeakPolarHBondContact OD1-CE 3.47Å; D133-K137 IonicContact OD1-NZ 2.62Å; D133-K137 WeakPolarHBondContact OD2-CE 3.47Å; D133-K137 IonicContact OD2-NZ 3.84Å; D133-K137 PolarHBondContact OD2-NZ 3.37Å
134N96.5Very high94.1Very high84 Ų8453.9 Ų53.945%0.44929%0.29SS..Hα-helixtrans-67.2-45.8178.1-72.2-24000112T130 Q131 L136 K137 A138T130-N134 PolarHBondContact O-N 3.49Å; T130-N134 PolarHBondContact O-ND2 3.48Å; Q131-N134 PolarHBondContact O-N 3.04Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.38Å; N134-K137 PolarHBondContact O-N 3.36Å; N134-A138 PolarHBondContact O-N 3.34Å
135D95.4Very high94.1Very high59 Ų5955.2 Ų55.232%0.31630%0.298SS..Hα-helixtrans-65.1-37.6177.4-75.4-10.3000111.4Q131 A138 R139 W282Q131-D135 WeakPolarHBondContact O-CB 3.48Å; Q131-D135 PolarHBondContact O-N 3.37Å; D135-A138 PolarHBondContact O-N 2.89Å; D135-R139 WeakPolarHBondContact O-CB 3.36Å; D135-R139 VanDerWaalsContact O-CG 3.31Å; D135-R139 WeakPolarHBondContact O-CG 3.48Å; D135-R139 PolarHBondContact O-N 3.49Å; D135-W282 HydrophobicContact CB-CH2 3.78Å; D135-W282 HydrophobicContact CB-CZ2 3.38Å
136L94.8Very high93.9Very high5 Ų556.5 Ų56.53%0.02631%0.305CS..Hα-helixtrans-59.6-49.9173.8176.568.2000110.5K71 V72 Y75 I132 D133 N134 A138 R139 A140 W282 L283K71-L136 HydrophobicContact CB-CD2 4.45Å; K71-L136 HydrophobicContact CD-CD2 4.07Å; K71-L136 HydrophobicContact CG-CD2 4.01Å; V72-L136 HydrophobicContact CG2-CD2 3.76Å; Y75-L136 HydrophobicContact CD1-CD1 3.68Å; Y75-L136 HydrophobicContact CE1-CD1 4.36Å; Y75-L136 HydrophobicContact CG-CD1 4.26Å; I132-L136 VanDerWaalsContact O-CB 3.23Å; I132-L136 WeakPolarHBondContact O-CB 3.44Å; I132-L136 PolarHBondContact O-N 2.82Å; D133-L136 PolarHBondContact O-N 3.39Å; N134-L136 VanDerWaalsContact C-N 3.32Å; N134-L136 PolarHBondContact O-N 3.38Å; L136-A138 PolarHBondContact O-N 2.91Å; L136-R139 PolarHBondContact O-N 3.22Å; L136-A140 WeakPolarHBondContact O-CB 3.46Å; L136-A140 PolarHBondContact O-N 3.49Å; L136-W282 HydrophobicContact CB-CH2 4.11Å; L136-W282 HydrophobicContact CB-CZ3 4.21Å; L136-W282 HydrophobicContact CD1-CZ3 4.15Å; L136-L283 HydrophobicContact CD1-CD2 3.56Å
137K94.3Very high93.7Very high99 Ų9957.1 Ų57.143%0.4330%0.302SS..Hα-helixtrans-58.7-45.7178.8-73.4170.1-170.2158.80111.9D133 N134 S141D133-K137 WeakPolarHBondContact O-CG 3.36Å; D133-K137 PolarHBondContact O-N 2.91Å; D133-K137 WeakPolarHBondContact OD1-CE 3.47Å; D133-K137 IonicContact OD1-NZ 2.62Å; D133-K137 WeakPolarHBondContact OD2-CE 3.47Å; D133-K137 IonicContact OD2-NZ 3.84Å; D133-K137 PolarHBondContact OD2-NZ 3.37Å; N134-K137 PolarHBondContact O-N 3.36Å; K137-S141 WeakPolarHBondContact O-CB 3.34Å; K137-S141 PolarHBondContact O-N 2.63Å
138A94.5Very high93.5Very high63 Ų6350.6 Ų50.652%0.52128%0.281SS..Hα-helixtrans-63.7-49.3-179.500000111.8N134 D135 L136 S141 A142N134-A138 PolarHBondContact O-N 3.34Å; D135-A138 PolarHBondContact O-N 2.89Å; L136-A138 PolarHBondContact O-N 2.91Å; A138-S141 PolarHBondContact O-N 3.47Å; A138-A142 PolarHBondContact O-N 2.97Å; A138-A142 VanDerWaalsContact O-N 3.08Å
139R93Very high93.3Very high103 Ų10353.2 Ų53.239%0.38930%0.296SS..Hα-helixtrans-65.9-40.5178.6-70.2176.8-177.7-85.2-2.4112D135 L136 A142 Y143 L279D135-R139 WeakPolarHBondContact O-CB 3.36Å; D135-R139 VanDerWaalsContact O-CG 3.31Å; D135-R139 WeakPolarHBondContact O-CG 3.48Å; D135-R139 PolarHBondContact O-N 3.49Å; L136-R139 PolarHBondContact O-N 3.22Å; R139-A142 PolarHBondContact O-N 3.47Å; R139-Y143 WeakPolarHBondContact O-CB 3.02Å; R139-Y143 PolarHBondContact O-N 2.83Å; R139-L279 HydrophobicContact CB-CD1 4.02Å
140A91.9Very high93Very high13 Ų1353.4 Ų53.411%0.10730%0.297CS..Hα-helixtrans-64.7-43.9178.500000111.7Y75 L136 Y143 N144Y75-A140 HydrophobicContact CD1-CB 4.39Å; Y75-A140 HydrophobicContact CD2-CB 4.32Å; Y75-A140 HydrophobicContact CE1-CB 3.8Å; Y75-A140 HydrophobicContact CE2-CB 3.74Å; Y75-A140 VanDerWaalsContact CZ-CB 3.46Å; Y75-A140 VanDerWaalsContact OH-CA 3.31Å; Y75-A140 WeakPolarHBondContact OH-CA 3.4Å; L136-A140 WeakPolarHBondContact O-CB 3.46Å; L136-A140 PolarHBondContact O-N 3.49Å; A140-Y143 PolarHBondContact O-N 3.06Å; A140-N144 WeakPolarHBondContact O-CB 3.44Å; A140-N144 PolarHBondContact O-N 2.97Å; A140-N144 PolarHBondContact O-ND2 3.25Å
141S93.7Very high92.7Very high63 Ų6355.8 Ų55.844%0.44130%0.304SS..Hα-helixtrans-60-47.3174.7-179.10000111.5K137 A138 Y143 N144 N145K137-S141 WeakPolarHBondContact O-CB 3.34Å; K137-S141 PolarHBondContact O-N 2.63Å; A138-S141 PolarHBondContact O-N 3.47Å; S141-Y143 PolarHBondContact O-N 3.42Å; S141-N144 PolarHBondContact O-N 3.44Å; S141-N145 WeakPolarHBondContact O-CB 3.47Å; S141-N145 PolarHBondContact O-N 3.36Å; S141-N145 PolarHBondContact O-ND2 3.21Å
142A91.4Very high92.3Very high61 Ų6154.8 Ų54.850%0.50430%0.302SS..Hα-helixtrans-60.5-46.5178.800000112.6A138 R139 L146A138-A142 PolarHBondContact O-N 2.97Å; A138-A142 VanDerWaalsContact O-N 3.08Å; R139-A142 PolarHBondContact O-N 3.47Å; A142-L146 PolarHBondContact O-N 2.77Å
143Y91.8Very high91.7Very high20 Ų2056.2 Ų56.28%0.07831%0.31CS..Hα-helixtrans-69-40.9179.5-174.6-101.8000112.3V79 R139 A140 S141 L146 K147 K272 Q275 F276 L279V79-Y143 HydrophobicContact CG2-CD1 4.48Å; V79-Y143 HydrophobicContact CG2-CE1 4.36Å; R139-Y143 WeakPolarHBondContact O-CB 3.02Å; R139-Y143 PolarHBondContact O-N 2.83Å; A140-Y143 PolarHBondContact O-N 3.06Å; S141-Y143 PolarHBondContact O-N 3.42Å; Y143-L146 PolarHBondContact O-N 3.1Å; Y143-K147 PolarHBondContact O-N 3.06Å; Y143-K272 HydrophobicContact CE2-CG 4.18Å; Y143-Q275 HydrophobicContact CD2-CB 4.29Å; Y143-F276 HydrophobicContact CE2-CB 4.37Å; Y143-L279 HydrophobicContact CD1-CD2 3.87Å; Y143-L279 HydrophobicContact CD2-CD2 3.78Å; Y143-L279 HydrophobicContact CE1-CD2 4.37Å; Y143-L279 HydrophobicContact CE2-CD2 4.31Å; Y143-L279 HydrophobicContact CG-CD2 3.54Å
144N91.6Very high91.2Very high76 Ų7660.3 Ų60.341%0.40633%0.329SS..Hα-helixtrans-68.3-36.7179.1-70.1-9.8000112.1Y75 A140 S141 L146 K147 G148Y75-N144 PolarHBondContact OH-OD1 3.29Å; A140-N144 WeakPolarHBondContact O-CB 3.44Å; A140-N144 PolarHBondContact O-N 2.97Å; A140-N144 PolarHBondContact O-ND2 3.25Å; S141-N144 PolarHBondContact O-N 3.44Å; N144-L146 VanDerWaalsContact C-N 3.32Å; N144-L146 PolarHBondContact O-N 2.95Å; N144-K147 PolarHBondContact O-N 3.36Å; N144-G148 PolarHBondContact O-N 3Å
145N92.4Very high90.6Very high94 Ų9464.9 Ų64.950%0.50334%0.34SS..Hα-helixtrans-61.2-43172.7-71.7-17.6000111S141 G148 N149S141-N145 WeakPolarHBondContact O-CB 3.47Å; S141-N145 PolarHBondContact O-N 3.36Å; S141-N145 PolarHBondContact O-ND2 3.21Å; N145-G148 PolarHBondContact O-N 3.24Å; N145-N149 WeakPolarHBondContact O-CB 3.3Å; N145-N149 PolarHBondContact O-N 3.09Å; N145-N149 PolarHBondContact O-ND2 2.92Å; N145-N149 PolarHBondContact O-OD1 3Å
146L90.3Very high89.9Confident28 Ų2868.9 Ų68.915%0.14735%0.354CS..Hα-helixtrans-66.5-43.8177.4-165.8152.9000111.7A142 Y143 N144 G148 N149 L150 L268 D271 K272A142-L146 PolarHBondContact O-N 2.77Å; Y143-L146 PolarHBondContact O-N 3.1Å; N144-L146 VanDerWaalsContact C-N 3.32Å; N144-L146 PolarHBondContact O-N 2.95Å; L146-G148 PolarHBondContact O-N 2.85Å; L146-N149 PolarHBondContact O-N 3.25Å; L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 3.36Å; L146-L268 HydrophobicContact CG-CD2 4.47Å; L146-D271 HydrophobicContact CD1-CB 3.84Å; L146-K272 VanDerWaalsContact CD2-CA 3.46Å; L146-K272 HydrophobicContact CD2-CB 3.35Å; L146-K272 HydrophobicContact CD2-CG 3.88Å
147K89.7Confident89Confident57 Ų5770.8 Ų70.825%0.24837%0.365CS..Hα-helixtrans-58.5-45.9173.3-173.8-179.2178.8179.40111E81 Y143 N144 L150 Q151E81-K147 IonicContact OE1-NZ 2.76Å; E81-K147 PolarHBondContact OE1-NZ 3.18Å; E81-K147 IonicContact OE2-NZ 3Å; E81-K147 PolarHBondContact OE2-NZ 2.94Å; Y143-K147 PolarHBondContact O-N 3.06Å; N144-K147 PolarHBondContact O-N 3.36Å; K147-L150 PolarHBondContact O-N 2.9Å; K147-Q151 WeakPolarHBondContact O-CB 3.27Å; K147-Q151 PolarHBondContact O-N 3.07Å
148G90.9Very high87.9Confident24 Ų2469.5 Ų69.525%0.24737%0.373CS..Hα-helixtrans-66.1-43.3-18000000113.2N144 N145 L146 Q151 N152N144-G148 PolarHBondContact O-N 3Å; N145-G148 PolarHBondContact O-N 3.24Å; L146-G148 PolarHBondContact O-N 2.85Å; G148-Q151 PolarHBondContact O-N 3.48Å; G148-N152 WeakPolarHBondContact O-CB 3.45Å; G148-N152 VanDerWaalsContact O-CG 3.24Å; G148-N152 PolarHBondContact O-N 2.98Å; G148-N152 PolarHBondContact O-ND2 3.45Å
149N90.1Very high87Confident89 Ų8968.5 Ų68.548%0.47637%0.368SS..Hα-helixtrans-61.9-45.3176-72-11.1000111.5N145 L146 N152 L153N145-N149 WeakPolarHBondContact O-CB 3.3Å; N145-N149 PolarHBondContact O-N 3.09Å; N145-N149 PolarHBondContact O-ND2 2.92Å; N145-N149 PolarHBondContact O-OD1 3Å; L146-N149 PolarHBondContact O-N 3.25Å; N149-N152 PolarHBondContact O-N 2.95Å; N149-L153 WeakPolarHBondContact O-CG 3.47Å; N149-L153 PolarHBondContact O-N 3.47Å
150L88.9Confident86.3Confident4 Ų466.3 Ų66.32%0.02137%0.369CS..Hα-helixtrans-63.8-45177.1-177.4145000111.4L146 K147 N152 L153 E154 L268 S269 K272L146-L150 WeakPolarHBondContact O-CB 3.4Å; L146-L150 PolarHBondContact O-N 3.36Å; K147-L150 PolarHBondContact O-N 2.9Å; L150-N152 VanDerWaalsContact C-N 3.31Å; L150-N152 PolarHBondContact O-N 3.23Å; L150-L153 PolarHBondContact O-N 3.29Å; L150-E154 HydrophobicContact CD2-CG 4.1Å; L150-E154 VanDerWaalsContact CD2-OE1 3.23Å; L150-E154 WeakPolarHBondContact CD2-OE1 3.36Å; L150-E154 WeakPolarHBondContact CD2-OE2 2.85Å; L150-E154 WeakPolarHBondContact O-CB 3.45Å; L150-E154 WeakPolarHBondContact O-CG 3.47Å; L150-E154 PolarHBondContact O-N 2.83Å; L150-L268 HydrophobicContact CD1-CB 4.33Å; L150-S269 VanDerWaalsContact CD1-CA 3.47Å; L150-K272 HydrophobicContact CD1-CD 4.21Å
151Q88.5Confident85.9Confident102 Ų10265.9 Ų65.948%0.47736%0.364SS..Hα-helixtrans-62.3-37.9176.8-171.1178.721.300112.1K147 G148 E154 R155K147-Q151 WeakPolarHBondContact O-CB 3.27Å; K147-Q151 PolarHBondContact O-N 3.07Å; G148-Q151 PolarHBondContact O-N 3.48Å; Q151-E154 PolarHBondContact O-N 3.41Å; Q151-R155 WeakPolarHBondContact O-CB 3.26Å; Q151-R155 VanDerWaalsContact O-CG 3.29Å; Q151-R155 WeakPolarHBondContact O-CG 3.33Å; Q151-R155 PolarHBondContact O-N 2.74Å
152N87.4Confident85.2Confident91 Ų9166.3 Ų66.349%0.48736%0.361SS..Hα-helixtrans-64.5-42.3175.9-76-22.2000111.9G148 N149 L150 R155 K156G148-N152 WeakPolarHBondContact O-CB 3.45Å; G148-N152 VanDerWaalsContact O-CG 3.24Å; G148-N152 PolarHBondContact O-N 2.98Å; G148-N152 PolarHBondContact O-ND2 3.45Å; N149-N152 PolarHBondContact O-N 2.95Å; L150-N152 VanDerWaalsContact C-N 3.31Å; L150-N152 PolarHBondContact O-N 3.23Å; N152-R155 PolarHBondContact O-N 3.36Å; N152-K156 WeakPolarHBondContact O-CG 3.4Å; N152-K156 PolarHBondContact O-N 2.87Å; N152-K156 VanDerWaalsContact O-N 3.1Å
153L83.6Confident84.7Confident35 Ų3568.1 Ų68.118%0.18337%0.366CS..Hα-helixtrans-67-41.3174.5-69.2172.3000111.5N149 L150 R155 K156 N157 E264 M265 L268N149-L153 WeakPolarHBondContact O-CG 3.47Å; N149-L153 PolarHBondContact O-N 3.47Å; L150-L153 PolarHBondContact O-N 3.29Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.36Å; L153-K156 WeakPolarHBondContact O-CB 3.47Å; L153-K156 PolarHBondContact O-N 3.42Å; L153-K156 VanDerWaalsContact O-N 3.16Å; L153-N157 PolarHBondContact O-N 3.49Å; L153-E264 HydrophobicContact CD1-CG 4.2Å; L153-M265 HydrophobicContact CB-CE 3.39Å; L153-M265 HydrophobicContact CB-SD 4.12Å; L153-L268 HydrophobicContact CD1-CD1 3.4Å; L153-L268 VanDerWaalsContact CD1-CD1 3.4Å
154E84.6Confident84.4Confident96 Ų9670.2 Ų70.245%0.44937%0.374SS..Hα-helixtrans-60.9-41.6176.6-76.7177.9160.300110.9L150 Q151 K156 N157 A158 M265L150-E154 HydrophobicContact CD2-CG 4.1Å; L150-E154 VanDerWaalsContact CD2-OE1 3.23Å; L150-E154 WeakPolarHBondContact CD2-OE1 3.36Å; L150-E154 WeakPolarHBondContact CD2-OE2 2.85Å; L150-E154 WeakPolarHBondContact O-CB 3.45Å; L150-E154 WeakPolarHBondContact O-CG 3.47Å; L150-E154 PolarHBondContact O-N 2.83Å; Q151-E154 PolarHBondContact O-N 3.41Å; E154-K156 PolarHBondContact O-N 3.46Å; E154-N157 CarbonylContact O-C 3.56Å; E154-N157 WeakPolarHBondContact O-CA 3.49Å; E154-N157 PolarHBondContact O-N 2.83Å; E154-N157 VanDerWaalsContact O-N 3.08Å; E154-A158 WeakPolarHBondContact O-CB 3.35Å; E154-A158 PolarHBondContact O-N 3.43Å; E154-M265 HydrophobicContact CG-CE 4.17Å; E154-M265 HydrophobicContact CG-SD 4.34Å
155R84Confident84Confident181 Ų18168 Ų6868%0.68336%0.364SS*.Hα-helixtrans-66.2-34.1175.1-71.6-178.988.9177.18.2113.2Q151 N152 L153 N157 A158Q151-R155 WeakPolarHBondContact O-CB 3.26Å; Q151-R155 VanDerWaalsContact O-CG 3.29Å; Q151-R155 WeakPolarHBondContact O-CG 3.33Å; Q151-R155 PolarHBondContact O-N 2.74Å; N152-R155 PolarHBondContact O-N 3.36Å; L153-R155 VanDerWaalsContact C-N 3.31Å; L153-R155 PolarHBondContact O-N 3.36Å; R155-N157 PolarHBondContact O-N 3.14Å; R155-A158 CarbonylContact O-C 3.59Å; R155-A158 PolarHBondContact O-N 2.95Å
156K79.7Confident83.5Confident143 Ų14363.6 Ų63.662%0.62234%0.341SS*.Hα-helixtrans-64.6-31.6171.1-72.6179178.9-1760111.7N152 L153 E154 R164 S165N152-K156 WeakPolarHBondContact O-CG 3.4Å; N152-K156 PolarHBondContact O-N 2.87Å; N152-K156 VanDerWaalsContact O-N 3.1Å; L153-K156 WeakPolarHBondContact O-CB 3.47Å; L153-K156 PolarHBondContact O-N 3.42Å; L153-K156 VanDerWaalsContact O-N 3.16Å; E154-K156 PolarHBondContact O-N 3.46Å; K156-R164 WeakPolarHBondContact O-CA 3.43Å; K156-S165 PolarHBondContact O-N 2.91Å
157N76.1Confident83.1Confident45 Ų4563.3 Ų63.324%0.24134%0.342CS..Hα-helixtrans-91.5-8178.9-67-9.3000113.5L153 E154 R155 R164 S165 M265L153-N157 PolarHBondContact O-N 3.49Å; E154-N157 CarbonylContact O-C 3.56Å; E154-N157 WeakPolarHBondContact O-CA 3.49Å; E154-N157 PolarHBondContact O-N 2.83Å; E154-N157 VanDerWaalsContact O-N 3.08Å; R155-N157 PolarHBondContact O-N 3.14Å; N157-R164 VanDerWaalsContact O-CD 3.26Å; N157-R164 WeakPolarHBondContact O-CD 3.17Å; N157-R164 WeakPolarHBondContact O-CG 3.29Å; N157-R164 PolarHBondContact O-NE 3.47Å; N157-S165 VanDerWaalsContact OD1-CB 3.26Å; N157-S165 WeakPolarHBondContact OD1-CB 3.48Å; N157-M265 WeakPolarHBondContact ND2-CE 3.23Å
158A71.8Confident82.5Confident72 Ų7264.7 Ų64.760%0.59535%0.353SS*.SBendtrans-121.3104.4-179.800000110.2E154 R155E154-A158 WeakPolarHBondContact O-CB 3.35Å; E154-A158 PolarHBondContact O-N 3.43Å; R155-A158 CarbonylContact O-C 3.59Å; R155-A158 PolarHBondContact O-N 2.95Å
159G74.7Confident82.2Confident41 Ų4164.5 Ų64.542%0.42335%0.346SS..SBendtrans-179.3-179.4-179.100000111.4
160S80.3Confident82Confident58 Ų5860.8 Ų60.841%0.40633%0.326SS..  trans-67.9160.5171.764.30000110.8L162 T163 R164S160-L162 PolarHBondContact O-N 2.81Å; S160-T163 PolarHBondContact O-N 3.38Å; S160-R164 VanDerWaalsContact O-CB 3.25Å; S160-R164 WeakPolarHBondContact O-CB 3.31Å; S160-R164 PolarHBondContact O-N 3.45Å
161L82.3Confident81.8Confident3 Ų367.1 Ų67.12%0.01635%0.354CS..THydrogen-bonded Turntrans-54.5-19.8177.3-75.7171.1000114.2L166 I169 V188 F217 D219 S222 L224L161-L166 HydrophobicContact CD2-CD2 4.39Å; L161-I169 HydrophobicContact CD2-CD1 3.73Å; L161-V188 HydrophobicContact CB-CG1 4.13Å; L161-V188 HydrophobicContact CB-CG2 4.2Å; L161-F217 HydrophobicContact CD1-CD1 4.21Å; L161-F217 HydrophobicContact CD2-CD1 3.8Å; L161-F217 HydrophobicContact CD2-CE1 4.46Å; L161-F217 HydrophobicContact CG-CD1 4.34Å; L161-D219 HydrophobicContact CD1-CB 4.01Å; L161-D219 WeakPolarHBondContact CD1-OD2 3.32Å; L161-D219 HydrophobicContact CG-CB 4.18Å; L161-D219 WeakPolarHBondContact CG-OD2 3.45Å; L161-D219 PolarHBondContact N-OD2 3.45Å; L161-S222 WeakPolarHBondContact CD1-O 3.43Å; L161-L224 HydrophobicContact CD1-CB 4.14Å; L161-L224 HydrophobicContact CD2-CB 4.17Å
162L79.9Confident81.5Confident72 Ų7267 Ų6738%0.37735%0.351SS..THydrogen-bonded Turntrans-72.2-28.5177.1-66.3171.8000113.9S160 V188 T247 R249S160-L162 PolarHBondContact O-N 2.81Å; L162-V188 HydrophobicContact CD2-CB 3.81Å; L162-V188 HydrophobicContact CD2-CG1 3.7Å; L162-V188 HydrophobicContact CD2-CG2 4.15Å; L162-V188 HydrophobicContact CG-CG1 4.14Å; L162-T247 HydrophobicContact CD2-CG2 3.78Å; L162-R249 WeakPolarHBondContact O-CD 3.34Å; L162-R249 PolarHBondContact O-NE 3.36Å; L162-R249 PolarHBondContact O-NH1 2.84Å
163T81.3Confident81.3Confident99 Ų9969.5 Ų69.561%0.60737%0.365SS*.THydrogen-bonded Turntrans-126.6-24.1-171.8580000113.6S160S160-T163 PolarHBondContact O-N 3.38Å
164R84.8Confident81.4Confident65 Ų6568.6 Ų68.625%0.24536%0.36CS..SBendtrans-63.6148.3178.5-179.6-179.5172.1178.83.8112.1K156 N157 S160 L166 R249K156-R164 WeakPolarHBondContact O-CA 3.43Å; N157-R164 VanDerWaalsContact O-CD 3.26Å; N157-R164 WeakPolarHBondContact O-CD 3.17Å; N157-R164 WeakPolarHBondContact O-CG 3.29Å; N157-R164 PolarHBondContact O-NE 3.47Å; S160-R164 VanDerWaalsContact O-CB 3.25Å; S160-R164 WeakPolarHBondContact O-CB 3.31Å; S160-R164 PolarHBondContact O-N 3.45Å; R164-L166 PolarHBondContact O-N 3.22Å; R164-R249 PolarHBondContact O-NH2 3.08Å
165S82.1Confident81.4Confident28 Ų2865 Ų6520%0.19634%0.343CS..  trans-59.6129.1166.7-174.80000111.6K156 N157 A167K156-S165 PolarHBondContact O-N 2.91Å; N157-S165 VanDerWaalsContact OD1-CB 3.26Å; N157-S165 WeakPolarHBondContact OD1-CB 3.48Å; S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 WeakPolarHBondContact OG-CB 3.41Å; S165-A167 PolarHBondContact OG-N 2.94Å
166L83.4Confident81.4Confident2 Ų259.4 Ų59.41%0.0133%0.329CS..SBendtrans-88-3.4-179.8-55.6178.8000112.3L161 R164 D168 I169 V170 L186 L224 R249 F251L161-L166 HydrophobicContact CD2-CD2 4.39Å; R164-L166 PolarHBondContact O-N 3.22Å; L166-D168 VanDerWaalsContact C-N 3.27Å; L166-D168 PolarHBondContact O-N 2.88Å; L166-I169 HydrophobicContact CD2-CD1 4.1Å; L166-I169 PolarHBondContact O-N 2.9Å; L166-V170 HydrophobicContact CB-CG1 4.1Å; L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 2.99Å; L166-L186 HydrophobicContact CB-CD1 4.45Å; L166-L186 HydrophobicContact CD1-CB 4.49Å; L166-L186 HydrophobicContact CD1-CD1 3.45Å; L166-L186 VanDerWaalsContact CD1-CD1 3.45Å; L166-L224 HydrophobicContact CD1-CD1 4.31Å; L166-L224 HydrophobicContact CD1-CD2 4.44Å; L166-L224 HydrophobicContact CD2-CD1 4.44Å; L166-L224 HydrophobicContact CD2-CD2 3.95Å; L166-R249 HydrophobicContact CD1-CB 4.09Å; L166-R249 HydrophobicContact CD1-CG 4.3Å; L166-F251 HydrophobicContact CB-CD2 4.08Å; L166-F251 HydrophobicContact CB-CE2 4.08Å; L166-F251 HydrophobicContact CD1-CB 4.36Å; L166-F251 HydrophobicContact CD1-CD2 4.42Å; L166-F251 HydrophobicContact CD1-CG 4.44Å
167A80.9Confident81.5Confident22 Ų2255.6 Ų55.618%0.18232%0.315CS..THydrogen-bonded Turntrans-49.5-42.4-179.300000114.3S165 I169 M258S165-A167 VanDerWaalsContact C-N 3.3Å; S165-A167 WeakPolarHBondContact OG-CB 3.41Å; S165-A167 PolarHBondContact OG-N 2.94Å; A167-I169 VanDerWaalsContact C-N 3.32Å; A167-M258 WeakPolarHBondContact CA-SD 3.36Å; A167-M258 HydrophobicContact CB-CB 4.37Å; A167-M258 HydrophobicContact CB-CE 4.2Å; A167-M258 HydrophobicContact CB-CG 4.25Å; A167-M258 HydrophobicContact CB-SD 3.14Å; A167-M258 WeakPolarHBondContact CB-SD 3.11Å
168D78.4Confident81.5Confident87 Ų8761.6 Ų61.647%0.46535%0.347SS..THydrogen-bonded Turntrans-85.1-7.5-177.5-70.4-37.2000113.2L166L166-D168 VanDerWaalsContact C-N 3.27Å; L166-D168 PolarHBondContact O-N 2.88Å
169I83.3Confident81.9Confident19 Ų1959.6 Ų59.610%0.09733%0.328CS..THydrogen-bonded Turntrans-103.3-42.6-172.7-65.4171.4000111L161 L166 A167 F217 L224L161-I169 HydrophobicContact CD2-CD1 3.73Å; L166-I169 HydrophobicContact CD2-CD1 4.1Å; L166-I169 PolarHBondContact O-N 2.9Å; A167-I169 VanDerWaalsContact C-N 3.32Å; I169-F217 HydrophobicContact CD1-CD1 4.4Å; I169-F217 HydrophobicContact CD1-CG 4.39Å; I169-F217 HydrophobicContact CG1-CG 4.48Å; I169-F217 HydrophobicContact CG2-CB 3.44Å; I169-F217 VanDerWaalsContact CG2-CB 3.44Å; I169-F217 HydrophobicContact CG2-CD2 4.36Å; I169-F217 HydrophobicContact CG2-CG 4.04Å; I169-L224 HydrophobicContact CG2-CD2 3.79Å
170V85.5Confident82.3Confident11 Ų1164.8 Ų64.87%0.06734%0.342CS..  trans-92.9145.9-169.7-53.40000111.6L166 F175 L186 L216 L224 F251 Y253L166-V170 HydrophobicContact CB-CG1 4.1Å; L166-V170 WeakPolarHBondContact O-CG2 3.48Å; L166-V170 PolarHBondContact O-N 2.99Å; V170-F175 HydrophobicContact CB-CE2 3.63Å; V170-F175 HydrophobicContact CB-CZ 3.89Å; V170-F175 HydrophobicContact CG1-CE2 4.39Å; V170-F175 HydrophobicContact CG1-CZ 4.18Å; V170-F175 HydrophobicContact CG2-CE2 3.66Å; V170-F175 HydrophobicContact CG2-CZ 3.9Å; V170-L186 HydrophobicContact CG1-CD1 3.81Å; V170-L186 HydrophobicContact CG1-CD2 4.5Å; V170-L216 HydrophobicContact CB-CD1 4.47Å; V170-L216 HydrophobicContact CG1-CD1 3.9Å; V170-L224 HydrophobicContact CG1-CD2 4.24Å; V170-F251 HydrophobicContact CG2-CE1 3.65Å; V170-F251 HydrophobicContact CG2-CZ 3.86Å; V170-Y253 HydrophobicContact CG2-CD2 4.13Å; V170-Y253 HydrophobicContact CG2-CE2 4.36Å
171K84.4Confident82.6Confident138 Ų13869.2 Ų69.260%0.635%0.351SS*.  trans-114.3161.7178.1-61177.6-177.3176.80110.8D173 D174 F175K171-D173 PolarHBondContact O-N 3.02Å; K171-D174 WeakPolarHBondContact CB-OD2 3.43Å; K171-D174 PolarHBondContact N-OD2 3.25Å; K171-D174 WeakPolarHBondContact O-CB 3.39Å; K171-D174 PolarHBondContact O-N 2.99Å; K171-F175 WeakPolarHBondContact O-CD2 3.08Å
172K83.6Confident82.8Confident99 Ų9971.1 Ų71.143%0.4336%0.361SS..G310 helixtrans-52.2-41.7174.2-166.4171.7-171.6151.10112.6D174 F175 L177 Y253 E255K172-D174 PolarHBondContact O-N 3.43Å; K172-F175 PolarHBondContact O-N 3.29Å; K172-L177 HydrophobicContact CD-CD1 4.35Å; K172-L177 HydrophobicContact CG-CD1 3.74Å; K172-Y253 HydrophobicContact CB-CE1 4.27Å; K172-Y253 WeakPolarHBondContact CB-OH 3.3Å; K172-Y253 HydrophobicContact CG-CE1 4.15Å; K172-Y253 PolarHBondContact N-OH 3.36Å; K172-E255 IonicContact NZ-OE2 3.87Å; K172-E255 PolarHBondContact NZ-OE2 2.81Å
173D83.6Confident83.3Confident144 Ų14469.1 Ų69.177%0.7735%0.352SS*.G310 helixtrans-67-15-178.6-56.7-28.7000113.7K171 F175K171-D173 PolarHBondContact O-N 3.02Å; D173-F175 VanDerWaalsContact C-N 3.31Å
174D84.3Confident83.7Confident15 Ų1564.8 Ų64.88%0.0833%0.325CS..G310 helixtrans-84.5-8179.9-57.7-42.7000112.4K171 K172 T184 K214 L216K171-D174 WeakPolarHBondContact CB-OD2 3.43Å; K171-D174 PolarHBondContact N-OD2 3.25Å; K171-D174 WeakPolarHBondContact O-CB 3.39Å; K171-D174 PolarHBondContact O-N 2.99Å; K172-D174 PolarHBondContact O-N 3.43Å; D174-T184 WeakPolarHBondContact O-CG2 3.38Å; D174-K214 IonicContact OD1-NZ 2.73Å; D174-K214 PolarHBondContact OD1-NZ 2.87Å; D174-L216 HydrophobicContact CB-CD1 4.13Å; D174-L216 HydrophobicContact CB-CD2 3.83Å; D174-L216 WeakPolarHBondContact OD1-CD2 3.39Å
175F85.4Confident83.9Confident21 Ų2162.5 Ų62.59%0.09232%0.317CS..SBendtrans-122.2140.4-179.3-58.5-93.8000112.5V170 K171 K172 D173 L177 T184 L186 F251 Y253V170-F175 HydrophobicContact CB-CE2 3.63Å; V170-F175 HydrophobicContact CB-CZ 3.89Å; V170-F175 HydrophobicContact CG1-CE2 4.39Å; V170-F175 HydrophobicContact CG1-CZ 4.18Å; V170-F175 HydrophobicContact CG2-CE2 3.66Å; V170-F175 HydrophobicContact CG2-CZ 3.9Å; K171-F175 WeakPolarHBondContact O-CD2 3.08Å; K172-F175 PolarHBondContact O-N 3.29Å; D173-F175 VanDerWaalsContact C-N 3.31Å; F175-L177 HydrophobicContact CB-CD2 4.04Å; F175-L177 HydrophobicContact CB-CG 4.48Å; F175-L177 PolarHBondContact O-N 3.07Å; F175-T184 HydrophobicContact CD1-CG2 4.09Å; F175-L186 HydrophobicContact CE1-CD1 4.32Å; F175-L186 HydrophobicContact CE1-CD2 4.17Å; F175-L186 HydrophobicContact CE1-CG 4.17Å; F175-L186 HydrophobicContact CZ-CD1 4.02Å; F175-L186 HydrophobicContact CZ-CD2 4.13Å; F175-L186 HydrophobicContact CZ-CG 4.26Å; F175-F251 AromaticContact CE1-CD1 4Å; F175-F251 HydrophobicContact CE1-CD1 4Å; F175-F251 HydrophobicContact CE1-CE1 4.43Å; F175-F251 HydrophobicContact CE2-CE1 4.36Å; F175-F251 AromaticContact CZ-CD1 3.69Å; F175-F251 HydrophobicContact CZ-CD1 3.69Å; F175-F251 AromaticContact CZ-CE1 3.78Å; F175-F251 HydrophobicContact CZ-CE1 3.78Å; F175-Y253 AromaticContact CD2-CD2 3.49Å; F175-Y253 HydrophobicContact CD2-CD2 3.49Å; F175-Y253 VanDerWaalsContact CD2-CD2 3.49Å; F175-Y253 HydrophobicContact CD2-CE2 4.27Å; F175-Y253 AromaticContact CD2-CG 3.74Å; F175-Y253 HydrophobicContact CD2-CG 3.74Å; F175-Y253 AromaticContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CE2 4.21Å; F175-Y253 AromaticContact CE2-CG 3.98Å; F175-Y253 HydrophobicContact CE2-CG 3.98Å; F175-Y253 HydrophobicContact CG-CD2 4.4Å; F175-Y253 HydrophobicContact CG-CG 4.24Å; F175-Y253 HydrophobicContact CZ-CD2 4.22Å
176V83.6Confident84.4Confident63 Ų6361.2 Ų61.238%0.38231%0.308SS..  trans-79.1102.3163.3-1760000108.6L182 T184 T228V176-L182 HydrophobicContact CG1-CB 4.39Å; V176-T184 PolarHBondContact N-OG1 3.41Å; V176-T184 VanDerWaalsContact N-OG1 3.13Å; V176-T228 HydrophobicContact CG2-CG2 3.92Å
177L81.3Confident84.7Confident63 Ų6361.1 Ų61.133%0.3331%0.308SS..  trans-85.4156.6177-58.1177.2000111.2K172 F175 S179 Y253K172-L177 HydrophobicContact CD-CD1 4.35Å; K172-L177 HydrophobicContact CG-CD1 3.74Å; F175-L177 HydrophobicContact CB-CD2 4.04Å; F175-L177 HydrophobicContact CB-CG 4.48Å; F175-L177 PolarHBondContact O-N 3.07Å; L177-S179 PolarHBondContact O-N 2.9Å; L177-Y253 HydrophobicContact CD1-CD1 4.26Å; L177-Y253 HydrophobicContact CD1-CE1 4.38Å; L177-Y253 HydrophobicContact CD2-CD1 3.81Å; L177-Y253 HydrophobicContact CD2-CG 4.36Å
178D77Confident85.3Confident172 Ų17260.2 Ų60.292%0.9230%0.3SS*.SBendtrans54.328.8171.8-53.7-39.3000116.1
179S80.9Confident85.9Confident29 Ų2956.1 Ų56.120%0.20328%0.278CS..  trans-95.8129172.3-170.80000111.9L177 Y181 L182 R231L177-S179 PolarHBondContact O-N 2.9Å; S179-Y181 VanDerWaalsContact C-N 3.29Å; S179-Y181 PolarHBondContact OG-N 3.36Å; S179-L182 WeakPolarHBondContact OG-CB 3.4Å; S179-L182 PolarHBondContact OG-N 3.31Å; S179-L182 VanDerWaalsContact OG-N 3.09Å; S179-R231 PolarHBondContact O-NE 3.04Å; S179-R231 PolarHBondContact O-NH2 2.86Å
180E82.3Confident86.3Confident151 Ų15157 Ų5771%0.70629%0.285SS*.SBendtrans-67.4-30.4172.8-68.6-172.3167.900112.4R231E180-R231 WeakPolarHBondContact O-CD 3.47Å
181Y85.5Confident86.5Confident151 Ų15160.3 Ų60.359%0.59230%0.298SS*.SBendtrans-111.4-30.7-169.7-58.5-66.7000113.7S179 F230 R231S179-Y181 VanDerWaalsContact C-N 3.29Å; S179-Y181 PolarHBondContact OG-N 3.36Å; Y181-F230 CarbonylContact O-C 3.18Å; Y181-F230 VanDerWaalsContact O-CA 3.26Å; Y181-F230 WeakPolarHBondContact O-CA 3.49Å; Y181-R231 PolarHBondContact O-N 3.01Å
182L88.3Confident86.8Confident43 Ų4359.5 Ų59.523%0.22531%0.305CS..EExtended strand (participates in β ladder)trans-101.4148.7-177-59.4176.7000111.5V176 S179 V209 T228 L229 F230V176-L182 HydrophobicContact CG1-CB 4.39Å; S179-L182 WeakPolarHBondContact OG-CB 3.4Å; S179-L182 PolarHBondContact OG-N 3.31Å; S179-L182 VanDerWaalsContact OG-N 3.09Å; L182-V209 HydrophobicContact CD2-CG2 4.2Å; L182-T228 HydrophobicContact CB-CG2 4.18Å; L182-T228 HydrophobicContact CD1-CG2 4.45Å; L182-L229 WeakPolarHBondContact CA-O 3.39Å; L182-F230 HydrophobicContact CD2-CD1 4.27Å; L182-F230 HydrophobicContact CD2-CD2 3.67Å; L182-F230 HydrophobicContact CD2-CE1 4.26Å; L182-F230 HydrophobicContact CD2-CE2 3.65Å; L182-F230 HydrophobicContact CD2-CG 4Å; L182-F230 HydrophobicContact CD2-CZ 3.96Å
183V89.3Confident87.2Confident30 Ų3056.6 Ų56.618%0.18229%0.294CS..EExtended strand (participates in β ladder)trans-140.3142.4171.762.60000108.9M185 T228 L229 R231 V234V183-M185 HydrophobicContact CG2-SD 4.22Å; V183-T228 WeakPolarHBondContact O-CA 3.34Å; V183-L229 HydrophobicContact CG1-CG 4.38Å; V183-L229 PolarHBondContact N-O 2.93Å; V183-L229 PolarHBondContact O-N 3.29Å; V183-L229 VanDerWaalsContact O-O 3.09Å; V183-R231 HydrophobicContact CB-CG 3.97Å; V183-R231 HydrophobicContact CG1-CG 4.01Å; V183-V234 HydrophobicContact CG1-CG2 3.46Å; V183-V234 VanDerWaalsContact CG1-CG2 3.46Å
184T90.2Very high87.5Confident7 Ų751.3 Ų51.34%0.04326%0.264CS..EExtended strand (participates in β ladder)trans-102.3124.4174-54.40000109.1D174 F175 V176 V227 T228D174-T184 WeakPolarHBondContact O-CG2 3.38Å; F175-T184 HydrophobicContact CD1-CG2 4.09Å; V176-T184 PolarHBondContact N-OG1 3.41Å; V176-T184 VanDerWaalsContact N-OG1 3.13Å; T184-V227 CarbonylContact C-O 3.56Å; T184-V227 WeakPolarHBondContact CA-O 3.23Å; T184-T228 PolarHBondContact OG1-OG1 2.9Å
185M89.3Confident87.7Confident18 Ų1856.4 Ų56.49%0.08929%0.29CS..EExtended strand (participates in β ladder)trans-109152.8179.2-63.6-63.1-67.400109.8V183 S226 V227 L229 V234 V248V183-M185 HydrophobicContact CG2-SD 4.22Å; M185-S226 WeakPolarHBondContact O-CA 3.46Å; M185-V227 PolarHBondContact N-O 3.3Å; M185-V227 PolarHBondContact O-N 3.4Å; M185-L229 HydrophobicContact CB-CD2 4.12Å; M185-L229 HydrophobicContact CG-CD2 3.81Å; M185-V234 HydrophobicContact CE-CG1 4.37Å; M185-V234 HydrophobicContact SD-CG1 4.43Å; M185-V248 HydrophobicContact CB-CG1 4.29Å; M185-V248 HydrophobicContact CE-CG1 3.47Å; M185-V248 VanDerWaalsContact CE-CG1 3.47Å
186L91.3Very high87.9Confident1 Ų159.3 Ų59.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-105.8134.6175.7-60.5178.3000109.9L166 V170 F175 L216 L224 F225 R249 F251L166-L186 HydrophobicContact CB-CD1 4.45Å; L166-L186 HydrophobicContact CD1-CB 4.49Å; L166-L186 HydrophobicContact CD1-CD1 3.45Å; L166-L186 VanDerWaalsContact CD1-CD1 3.45Å; V170-L186 HydrophobicContact CG1-CD1 3.81Å; V170-L186 HydrophobicContact CG1-CD2 4.5Å; F175-L186 HydrophobicContact CE1-CD1 4.32Å; F175-L186 HydrophobicContact CE1-CD2 4.17Å; F175-L186 HydrophobicContact CE1-CG 4.17Å; F175-L186 HydrophobicContact CZ-CD1 4.02Å; F175-L186 HydrophobicContact CZ-CD2 4.13Å; F175-L186 HydrophobicContact CZ-CG 4.26Å; L186-L216 HydrophobicContact CD2-CD1 3.59Å; L186-L224 HydrophobicContact CB-CD1 4.06Å; L186-F225 CarbonylContact C-O 3.58Å; L186-F225 WeakPolarHBondContact CA-O 3.34Å; L186-R249 HydrophobicContact CB-CB 4.28Å; L186-R249 PolarHBondContact O-N 3Å; L186-F251 HydrophobicContact CD1-CB 3.83Å; L186-F251 HydrophobicContact CD1-CD1 3.87Å; L186-F251 HydrophobicContact CD1-CG 3.96Å
187V91.3Very high88.3Confident0 Ų056.3 Ų56.30%029%0.289CS..EExtended strand (participates in β ladder)trans-128127.9-176.9-170.10000109.6V189 W197 F225 F237 F246 V248V187-V189 HydrophobicContact CG1-CG2 4.06Å; V187-W197 HydrophobicContact CB-CH2 3.74Å; V187-W197 HydrophobicContact CB-CZ2 3.96Å; V187-W197 HydrophobicContact CG1-CH2 3.63Å; V187-W197 HydrophobicContact CG1-CZ2 4.2Å; V187-W197 HydrophobicContact CG1-CZ3 3.9Å; V187-W197 HydrophobicContact CG2-CH2 3.72Å; V187-W197 HydrophobicContact CG2-CZ2 4.15Å; V187-F225 PolarHBondContact N-O 2.76Å; V187-F225 PolarHBondContact O-N 3.05Å; V187-F237 HydrophobicContact CG2-CE1 4.02Å; V187-F237 HydrophobicContact CG2-CZ 4.47Å; V187-F246 HydrophobicContact CG1-CB 3.8Å; V187-V248 HydrophobicContact CG1-CG2 4.49Å; V187-V248 HydrophobicContact CG2-CG2 4.14Å
188V92.2Very high88.5Confident3 Ų358.4 Ų58.42%0.01830%0.297CS..EExtended strand (participates in β ladder)trans-92.6119.7173.3-175.50000108.1L161 L162 G223 L224 T247 R249L161-V188 HydrophobicContact CB-CG1 4.13Å; L161-V188 HydrophobicContact CB-CG2 4.2Å; L162-V188 HydrophobicContact CD2-CB 3.81Å; L162-V188 HydrophobicContact CD2-CG1 3.7Å; L162-V188 HydrophobicContact CD2-CG2 4.15Å; L162-V188 HydrophobicContact CG-CG1 4.14Å; V188-G223 WeakPolarHBondContact CA-O 3.29Å; V188-L224 HydrophobicContact CG2-CD1 3.89Å; V188-T247 PolarHBondContact N-O 3Å; V188-T247 PolarHBondContact O-N 3.01Å; V188-R249 HydrophobicContact CG2-CG 3.72Å
189V91.9Very high89.1Confident0 Ų057.6 Ų57.60%029%0.285CS..EExtended strand (participates in β ladder)trans-118.3131.7-177.1-177.30000108.3V187 N193 Y194 W197 S222 G223 F225 F246V187-V189 HydrophobicContact CG1-CG2 4.06Å; V189-N193 HydrophobicContact CG1-CB 4.29Å; V189-Y194 HydrophobicContact CB-CD1 4.29Å; V189-Y194 HydrophobicContact CB-CE1 4.3Å; V189-Y194 HydrophobicContact CG1-CD1 3.84Å; V189-Y194 HydrophobicContact CG1-CE1 4.29Å; V189-Y194 WeakPolarHBondContact O-CE1 3.41Å; V189-W197 HydrophobicContact CG1-CB 3.86Å; V189-W197 HydrophobicContact CG1-CG 4.26Å; V189-W197 HydrophobicContact CG2-CB 4.33Å; V189-W197 HydrophobicContact CG2-CD2 3.7Å; V189-W197 HydrophobicContact CG2-CE3 3.98Å; V189-W197 HydrophobicContact CG2-CG 3.86Å; V189-S222 CarbonylContact O-C 3.56Å; V189-S222 WeakPolarHBondContact O-CA 3.36Å; V189-S222 WeakPolarHBondContact O-CB 3.12Å; V189-G223 PolarHBondContact N-O 3.4Å; V189-G223 PolarHBondContact O-N 2.99Å; V189-F225 HydrophobicContact CB-CD2 3.96Å; V189-F225 HydrophobicContact CB-CE2 3.97Å; V189-F225 HydrophobicContact CG2-CD2 3.74Å; V189-F225 HydrophobicContact CG2-CE2 4.23Å; V189-F246 HydrophobicContact CB-CD1 4.35Å; V189-F246 HydrophobicContact CG1-CD1 3.86Å; V189-F246 HydrophobicContact CG1-CE1 3.76Å; V189-F246 HydrophobicContact CG2-CD1 4.04Å
190P91.8Very high89.4Confident39 Ų3958.5 Ų58.525%0.25329%0.29SS..EExtended strand (participates in β ladder)trans-65.2145171.6-21.433.6000111.8T192 N193 Y194P190-T192 PolarHBondContact O-N 3.35Å; P190-T192 VanDerWaalsContact O-N 3.14Å; P190-N193 PolarHBondContact O-N 3.48Å; P190-Y194 VanDerWaalsContact O-CD1 3.27Å; P190-Y194 WeakPolarHBondContact O-CD1 3.36Å
191K89.9Confident89.6Confident79 Ų7951.8 Ų51.834%0.34326%0.258SS..G310 helixtrans-54.2-35.8179.9-76.4-171.6-171.5-163.40114N193 Y194 E218 D219 N220 D221K191-N193 PolarHBondContact O-N 3.36Å; K191-N193 VanDerWaalsContact O-N 3.14Å; K191-Y194 VanDerWaalsContact CA-CE1 3.5Å; K191-Y194 HydrophobicContact CB-CE1 4.45Å; K191-Y194 HydrophobicContact CG-CE1 4.17Å; K191-Y194 HydrophobicContact CG-CE2 4.13Å; K191-Y194 WeakPolarHBondContact CG-OH 3.34Å; K191-Y194 PolarHBondContact O-N 3.45Å; K191-E218 WeakPolarHBondContact CE-OE1 3.47Å; K191-E218 IonicContact NZ-OE1 2.67Å; K191-E218 PolarHBondContact NZ-OE1 3.44Å; K191-D219 WeakPolarHBondContact CE-O 3.35Å; K191-D219 PolarHBondContact NZ-O 3.2Å; K191-N220 VanDerWaalsContact CE-O 3.28Å; K191-N220 WeakPolarHBondContact CE-O 3.19Å; K191-N220 PolarHBondContact NZ-O 2.94Å; K191-D221 PolarHBondContact N-O 3.45Å
192T90.5Very high89.8Confident121 Ų12148.4 Ų48.474%0.74225%0.247SC*.G310 helixtrans-59.9-23.6177.554.10000113.1P190P190-T192 PolarHBondContact O-N 3.35Å; P190-T192 VanDerWaalsContact O-N 3.14Å
193N91Very high89.7Confident38 Ų3851.7 Ų51.720%0.20327%0.269CS..G310 helixtrans-113.714.4-171-63.831.4000112.8V189 P190 K191 L195 D196 W197 F246V189-N193 HydrophobicContact CG1-CB 4.29Å; P190-N193 PolarHBondContact O-N 3.48Å; K191-N193 PolarHBondContact O-N 3.36Å; K191-N193 VanDerWaalsContact O-N 3.14Å; N193-L195 PolarHBondContact O-N 2.89Å; N193-D196 PolarHBondContact O-N 3.43Å; N193-W197 WeakPolarHBondContact O-CB 3.37Å; N193-W197 PolarHBondContact O-N 2.96Å; N193-F246 HydrophobicContact CB-CE1 3.95Å
194Y90.5Very high89.5Confident34 Ų3450.6 Ų50.613%0.13326%0.262CS..Hα-helixtrans-62.3-42.1-179.7-78.59000113.2V189 P190 K191 D196 W197 Q198 S222 G223 F225V189-Y194 HydrophobicContact CB-CD1 4.29Å; V189-Y194 HydrophobicContact CB-CE1 4.3Å; V189-Y194 HydrophobicContact CG1-CD1 3.84Å; V189-Y194 HydrophobicContact CG1-CE1 4.29Å; V189-Y194 WeakPolarHBondContact O-CE1 3.41Å; P190-Y194 VanDerWaalsContact O-CD1 3.27Å; P190-Y194 WeakPolarHBondContact O-CD1 3.36Å; K191-Y194 VanDerWaalsContact CA-CE1 3.5Å; K191-Y194 HydrophobicContact CB-CE1 4.45Å; K191-Y194 HydrophobicContact CG-CE1 4.17Å; K191-Y194 HydrophobicContact CG-CE2 4.13Å; K191-Y194 WeakPolarHBondContact CG-OH 3.34Å; K191-Y194 PolarHBondContact O-N 3.45Å; Y194-D196 VanDerWaalsContact C-N 3.31Å; Y194-W197 PolarHBondContact O-N 2.83Å; Y194-Q198 WeakPolarHBondContact O-CG 3.07Å; Y194-Q198 PolarHBondContact O-N 3.33Å; Y194-Q198 VanDerWaalsContact O-N 3.08Å; Y194-S222 VanDerWaalsContact OH-C 3.24Å; Y194-S222 PolarHBondContact OH-O 3.41Å; Y194-G223 WeakPolarHBondContact OH-CA 3.22Å; Y194-G223 PolarHBondContact OH-N 3.2Å; Y194-F225 AromaticContact CD1-CE2 3.92Å; Y194-F225 HydrophobicContact CD1-CE2 3.92Å; Y194-F225 HydrophobicContact CD1-CZ 4.12Å; Y194-F225 HydrophobicContact CD2-CZ 4.26Å; Y194-F225 AromaticContact CE1-CE2 3.69Å; Y194-F225 HydrophobicContact CE1-CE2 3.69Å; Y194-F225 HydrophobicContact CE1-CZ 4.11Å; Y194-F225 HydrophobicContact CE2-CZ 4.27Å; Y194-F225 HydrophobicContact CG-CE2 4.46Å; Y194-F225 HydrophobicContact CG-CZ 4.2Å
195L88.8Confident89.2Confident121 Ų12150.4 Ų50.463%0.63426%0.261SS*.Hα-helixtrans-66.9-37179.2-66.9174000111.5N193 K199N193-L195 PolarHBondContact O-N 2.89Å; L195-K199 WeakPolarHBondContact O-CG 3.31Å; L195-K199 PolarHBondContact O-N 3.39Å
196D89.6Confident88.8Confident82 Ų8258.7 Ų58.744%0.43930%0.3SS..Hα-helixtrans-69.2-46176.6-64.2-21.8000109.7N193 Y194 Q198 K199 T200N193-D196 PolarHBondContact O-N 3.43Å; Y194-D196 VanDerWaalsContact C-N 3.31Å; D196-Q198 VanDerWaalsContact C-N 3.35Å; D196-Q198 PolarHBondContact O-N 2.96Å; D196-K199 PolarHBondContact O-N 3.49Å; D196-T200 PolarHBondContact O-N 2.9Å; D196-T200 PolarHBondContact O-OG1 2.86Å
197W90.6Very high88.7Confident0 Ų062 Ų620%032%0.316CS..Hα-helixtrans-51.3-51.4174.8173.4-107.2000112.6V187 V189 N193 Y194 K199 T200 Y201 L204 T213 F225 V227 F237 F246V187-W197 HydrophobicContact CB-CH2 3.74Å; V187-W197 HydrophobicContact CB-CZ2 3.96Å; V187-W197 HydrophobicContact CG1-CH2 3.63Å; V187-W197 HydrophobicContact CG1-CZ2 4.2Å; V187-W197 HydrophobicContact CG1-CZ3 3.9Å; V187-W197 HydrophobicContact CG2-CH2 3.72Å; V187-W197 HydrophobicContact CG2-CZ2 4.15Å; V189-W197 HydrophobicContact CG1-CB 3.86Å; V189-W197 HydrophobicContact CG1-CG 4.26Å; V189-W197 HydrophobicContact CG2-CB 4.33Å; V189-W197 HydrophobicContact CG2-CD2 3.7Å; V189-W197 HydrophobicContact CG2-CE3 3.98Å; V189-W197 HydrophobicContact CG2-CG 3.86Å; N193-W197 WeakPolarHBondContact O-CB 3.37Å; N193-W197 PolarHBondContact O-N 2.96Å; Y194-W197 PolarHBondContact O-N 2.83Å; W197-K199 PolarHBondContact O-N 3.47Å; W197-T200 PolarHBondContact O-N 3.37Å; W197-Y201 VanDerWaalsContact O-CB 3.31Å; W197-Y201 WeakPolarHBondContact O-CB 3.3Å; W197-Y201 WeakPolarHBondContact O-CD1 3.41Å; W197-Y201 PolarHBondContact O-N 2.91Å; W197-L204 HydrophobicContact CZ3-CD1 3.91Å; W197-T213 PolarHBondContact NE1-OG1 2.92Å; W197-F225 HydrophobicContact CZ2-CB 4.37Å; W197-F225 AromaticContact NE1-CD1 3.92Å; W197-F225 AromaticContact NE1-CG 3.68Å; W197-V227 HydrophobicContact CH2-CG2 3.97Å; W197-V227 HydrophobicContact CZ2-CG2 3.39Å; W197-F237 AromaticContact CH2-CZ 3.85Å; W197-F237 HydrophobicContact CH2-CZ 3.85Å; W197-F237 HydrophobicContact CZ3-CZ 4.47Å; W197-F246 HydrophobicContact CB-CE1 4.24Å; W197-F246 HydrophobicContact CB-CZ 4.15Å; W197-F246 HydrophobicContact CE3-CB 4.5Å; W197-F246 HydrophobicContact CE3-CD1 4.11Å; W197-F246 AromaticContact CE3-CD2 3.5Å; W197-F246 HydrophobicContact CE3-CD2 3.5Å; W197-F246 HydrophobicContact CE3-CE1 4.17Å; W197-F246 AromaticContact CE3-CE2 3.58Å; W197-F246 HydrophobicContact CE3-CE2 3.58Å; W197-F246 AromaticContact CE3-CG 3.78Å; W197-F246 HydrophobicContact CE3-CG 3.78Å; W197-F246 AromaticContact CE3-CZ 3.92Å; W197-F246 HydrophobicContact CE3-CZ 3.92Å; W197-F246 HydrophobicContact CZ3-CB 4.21Å; W197-F246 AromaticContact CZ3-CD2 3.6Å; W197-F246 HydrophobicContact CZ3-CD2 3.6Å; W197-F246 HydrophobicContact CZ3-CE2 4.09Å; W197-F246 AromaticContact CZ3-CG 3.92Å; W197-F246 HydrophobicContact CZ3-CG 3.92Å
198Q87.3Confident88.6Confident108 Ų10862.6 Ų62.651%0.50532%0.32SS..Hα-helixtrans-61.8-28.7-179.3-74.2-179.2-6.900113.6Y194 D196 Y201Y194-Q198 WeakPolarHBondContact O-CG 3.07Å; Y194-Q198 PolarHBondContact O-N 3.33Å; Y194-Q198 VanDerWaalsContact O-N 3.08Å; D196-Q198 VanDerWaalsContact C-N 3.35Å; D196-Q198 PolarHBondContact O-N 2.96Å; Q198-Y201 WeakPolarHBondContact O-CD1 3.4Å; Q198-Y201 WeakPolarHBondContact O-CE1 3.07Å
199K88.3Confident88.4Confident155 Ų15564.7 Ų64.767%0.67433%0.333SS*.Hα-helixtrans-83.5-38.2178.1-69.7173.4-174.91740112.4L195 D196 W197L195-K199 WeakPolarHBondContact O-CG 3.31Å; L195-K199 PolarHBondContact O-N 3.39Å; D196-K199 PolarHBondContact O-N 3.49Å; W197-K199 PolarHBondContact O-N 3.47Å
200T87.5Confident88.2Confident48 Ų4868.6 Ų68.629%0.29436%0.358SS..Hα-helixtrans-96.9-22.4-167.6-24.80000113.3D196 W197 E202 T203 L204D196-T200 PolarHBondContact O-N 2.9Å; D196-T200 PolarHBondContact O-OG1 2.86Å; W197-T200 PolarHBondContact O-N 3.37Å; T200-E202 VanDerWaalsContact C-N 3.27Å; T200-E202 PolarHBondContact O-N 3.44Å; T200-T203 PolarHBondContact O-N 3.31Å; T200-T203 PolarHBondContact O-OG1 3.06Å; T200-T203 VanDerWaalsContact O-OG1 3.05Å; T200-L204 WeakPolarHBondContact O-CG 3.31Å; T200-L204 PolarHBondContact O-N 2.95Å; T200-L204 VanDerWaalsContact O-N 3.14Å
201Y87.4Confident87.9Confident9 Ų977.6 Ų77.64%0.03539%0.387CS..Hα-helixtrans-60.1-33.3-169.984-74.7000114.2W197 Q198 T203 V208 R211 T213 V227W197-Y201 VanDerWaalsContact O-CB 3.31Å; W197-Y201 WeakPolarHBondContact O-CB 3.3Å; W197-Y201 WeakPolarHBondContact O-CD1 3.41Å; W197-Y201 PolarHBondContact O-N 2.91Å; Q198-Y201 WeakPolarHBondContact O-CD1 3.4Å; Q198-Y201 WeakPolarHBondContact O-CE1 3.07Å; Y201-T203 VanDerWaalsContact C-N 3.3Å; Y201-T203 PolarHBondContact O-N 3.41Å; Y201-V208 HydrophobicContact CD2-CG1 4.4Å; Y201-R211 WeakPolarHBondContact OH-CA 3.49Å; Y201-R211 PolarHBondContact OH-N 3.5Å; Y201-T213 HydrophobicContact CD1-CG2 4.26Å; Y201-T213 HydrophobicContact CD2-CG2 4.35Å; Y201-T213 HydrophobicContact CE1-CG2 3.72Å; Y201-T213 HydrophobicContact CE2-CG2 3.81Å; Y201-T213 VanDerWaalsContact CZ-CG2 3.47Å; Y201-V227 HydrophobicContact CD2-CG1 4.33Å; Y201-V227 HydrophobicContact CD2-CG2 4.19Å
202E88.1Confident87.8Confident81 Ų8174.9 Ų74.938%0.37938%0.378SS..Hα-helixtrans-69.4-28.9179.2-58-174157.800112.3T200 R211T200-E202 VanDerWaalsContact C-N 3.27Å; T200-E202 PolarHBondContact O-N 3.44Å; E202-R211 PolarHBondContact OE1-N 2.9Å
203T87.9Confident87.8Confident111 Ų11170.9 Ų70.968%0.68135%0.353SS*.Hα-helixtrans-101.3-1.1-17756.30000113.5T200 Y201T200-T203 PolarHBondContact O-N 3.31Å; T200-T203 PolarHBondContact O-OG1 3.06Å; T200-T203 VanDerWaalsContact O-OG1 3.05Å; Y201-T203 VanDerWaalsContact C-N 3.3Å; Y201-T203 PolarHBondContact O-N 3.41Å
204L83.8Confident87.7Confident8 Ų874.2 Ų74.24%0.04237%0.366CS..Hα-helixtrans-60.5-46.9178.2-78.7170.4000110.5W197 T200 F237 K240 N244W197-L204 HydrophobicContact CZ3-CD1 3.91Å; T200-L204 WeakPolarHBondContact O-CG 3.31Å; T200-L204 PolarHBondContact O-N 2.95Å; T200-L204 VanDerWaalsContact O-N 3.14Å; L204-F237 HydrophobicContact CB-CD2 3.96Å; L204-F237 HydrophobicContact CB-CE2 3.96Å; L204-F237 HydrophobicContact CD1-CD2 4.42Å; L204-F237 HydrophobicContact CD1-CE2 3.76Å; L204-F237 HydrophobicContact CD1-CZ 4.22Å; L204-K240 HydrophobicContact CD2-CB 4.07Å; L204-K240 WeakPolarHBondContact O-CD 3.17Å; L204-K240 WeakPolarHBondContact O-CE 3.4Å; L204-K240 PolarHBondContact O-NZ 3.04Å; L204-N244 VanDerWaalsContact CD2-ND2 3.33Å; L204-N244 WeakPolarHBondContact CD2-ND2 3.29Å
205A84.9Confident87.7Confident2 Ų276.6 Ų76.62%0.01738%0.378CS..SBendtrans-136.2152.1176.500000110.7M207 V208 A233 F237A205-M207 VanDerWaalsContact C-N 3.28Å; A205-M207 PolarHBondContact O-N 3.27Å; A205-V208 HydrophobicContact CB-CG2 3.95Å; A205-V208 WeakPolarHBondContact O-CG2 3.37Å; A205-V208 PolarHBondContact O-N 3Å; A205-A233 HydrophobicContact CB-CB 4.38Å; A205-F237 HydrophobicContact CB-CB 4.16Å; A205-F237 HydrophobicContact CB-CD2 4.28Å
206E80.2Confident87.7Confident193 Ų19372.2 Ų72.290%0.90236%0.355SS*.THydrogen-bonded Turntrans-64.1-31.3-172.4-169.4177.2-17800113.2
207M88.5Confident87.7Confident70 Ų7072.2 Ų72.235%0.34535%0.352SS..THydrogen-bonded Turntrans-105.542.2-176.7-56.5-177.9-78.200112.8A205 L229 F230 K232 A233A205-M207 VanDerWaalsContact C-N 3.28Å; A205-M207 PolarHBondContact O-N 3.27Å; M207-L229 WeakPolarHBondContact O-CA 3.34Å; M207-F230 HydrophobicContact CB-CB 3.73Å; M207-F230 HydrophobicContact CB-CD2 3.82Å; M207-F230 HydrophobicContact CB-CG 3.97Å; M207-F230 WeakPolarHBondContact O-CD2 3.44Å; M207-F230 PolarHBondContact O-N 3.41Å; M207-F230 HydrophobicContact SD-CB 4.13Å; M207-F230 HydrophobicContact SD-CG 4.4Å; M207-K232 HydrophobicContact CE-CB 3.55Å; M207-K232 HydrophobicContact SD-CB 4.49Å; M207-A233 HydrophobicContact CB-CB 3.91Å; M207-A233 HydrophobicContact CE-CB 3.71Å
208V89.1Confident87.6Confident12 Ų1276.3 Ų76.37%0.07337%0.371CS..BIsolated β-bridgetrans-92.9138.8171.2177.70000109.4Y201 A205 P210 V227 L229 F237Y201-V208 HydrophobicContact CD2-CG1 4.4Å; A205-V208 HydrophobicContact CB-CG2 3.95Å; A205-V208 WeakPolarHBondContact O-CG2 3.37Å; A205-V208 PolarHBondContact O-N 3Å; V208-P210 VanDerWaalsContact O-CD 3.31Å; V208-P210 WeakPolarHBondContact O-CD 3.31Å; V208-V227 HydrophobicContact CG1-CG1 3.96Å; V208-L229 HydrophobicContact CG2-CB 4.28Å; V208-F237 HydrophobicContact CG2-CD2 3.83Å; V208-F237 HydrophobicContact CG2-CE2 4.05Å
209V88.4Confident87.5Confident48 Ų4872.7 Ų72.729%0.29136%0.355SS..PPolyproline II helixtrans-80.4117.4177.2-177.50000109.2L182 S212 T228L182-V209 HydrophobicContact CD2-CG2 4.2Å; V209-S212 WeakPolarHBondContact O-CB 3.25Å; V209-S212 PolarHBondContact O-N 3.47Å; V209-S212 PolarHBondContact O-OG 3.43Å; V209-T228 WeakPolarHBondContact CB-O 3.33Å; V209-T228 HydrophobicContact CG2-CG2 4.19Å; V209-T228 PolarHBondContact N-O 3.38Å
210P87.3Confident87.3Confident81 Ų8172.3 Ų72.353%0.52636%0.36SS..THydrogen-bonded Turntrans-63.7149179.1-21.233.8000111.7V208 S212V208-P210 VanDerWaalsContact O-CD 3.31Å; V208-P210 WeakPolarHBondContact O-CD 3.31Å; P210-S212 PolarHBondContact O-N 3.04Å; P210-S212 VanDerWaalsContact O-N 3.13Å
211R86.4Confident87.2Confident228 Ų22876.2 Ų76.286%0.8638%0.379SS*.THydrogen-bonded Turntrans55.521.6-176.7-58-177.4-71.9-178.9-4115.1Y201 E202Y201-R211 WeakPolarHBondContact OH-CA 3.49Å; Y201-R211 PolarHBondContact OH-N 3.5Å; E202-R211 PolarHBondContact OE1-N 2.9Å
212S87.7Confident87.3Confident23 Ų2376.7 Ų76.716%0.16138%0.384CS..  trans-86.3-10.5176.765.60000113.7V209 P210 T228V209-S212 WeakPolarHBondContact O-CB 3.25Å; V209-S212 PolarHBondContact O-N 3.47Å; V209-S212 PolarHBondContact O-OG 3.43Å; P210-S212 PolarHBondContact O-N 3.04Å; P210-S212 VanDerWaalsContact O-N 3.13Å; S212-T228 PolarHBondContact OG-N 3.05Å; S212-T228 PolarHBondContact OG-O 3.28Å
213T89.8Confident87.5Confident36 Ų3672.8 Ų72.822%0.22137%0.366CS..  trans-76.8132.8-175.6-164.20000112.9W197 Y201 S226W197-T213 PolarHBondContact NE1-OG1 2.92Å; Y201-T213 HydrophobicContact CD1-CG2 4.26Å; Y201-T213 HydrophobicContact CD2-CG2 4.35Å; Y201-T213 HydrophobicContact CE1-CG2 3.72Å; Y201-T213 HydrophobicContact CE2-CG2 3.81Å; Y201-T213 VanDerWaalsContact CZ-CG2 3.47Å; T213-S226 WeakPolarHBondContact CA-O 3.35Å; T213-S226 PolarHBondContact OG1-O 3.06Å
214K89Confident87.6Confident108 Ų10867.5 Ų67.547%0.4733%0.333SS..EExtended strand (participates in β ladder)trans-135.6134.2176.3-175.1-174.9175.2-166.70109.8D174 L216 F225 S226D174-K214 IonicContact OD1-NZ 2.73Å; D174-K214 PolarHBondContact OD1-NZ 2.87Å; K214-L216 HydrophobicContact CD-CD2 4.13Å; K214-L216 HydrophobicContact CG-CD2 4.24Å; K214-L216 PolarHBondContact O-N 3.38Å; K214-F225 CarbonylContact O-C 3.35Å; K214-F225 VanDerWaalsContact O-CA 3.29Å; K214-F225 WeakPolarHBondContact O-CA 3.34Å; K214-S226 PolarHBondContact N-O 2.93Å; K214-S226 PolarHBondContact O-N 3.3Å; K214-S226 PolarHBondContact O-OG 2.69Å
215Q90.2Very high88Confident84 Ų8467.4 Ų67.439%0.39333%0.332SS..EExtended strand (participates in β ladder)trans-76.8118172.5-170.2176-27.800109.1E218 F225Q215-E218 PolarHBondContact NE2-OE2 3.09Å; Q215-F225 HydrophobicContact CB-CD1 3.91Å; Q215-F225 HydrophobicContact CB-CE1 3.58Å; Q215-F225 HydrophobicContact CB-CZ 4.27Å; Q215-F225 HydrophobicContact CG-CD1 4.35Å; Q215-F225 HydrophobicContact CG-CE1 3.83Å; Q215-F225 HydrophobicContact CG-CZ 4Å
216L89.7Confident88.4Confident30 Ų3067.5 Ų67.516%0.15733%0.333CS..EExtended strand (participates in β ladder)trans-92.1-41.6-179-56.8-171.1000111.7V170 D174 L186 K214 L224V170-L216 HydrophobicContact CB-CD1 4.47Å; V170-L216 HydrophobicContact CG1-CD1 3.9Å; D174-L216 HydrophobicContact CB-CD1 4.13Å; D174-L216 HydrophobicContact CB-CD2 3.83Å; D174-L216 WeakPolarHBondContact OD1-CD2 3.39Å; L186-L216 HydrophobicContact CD2-CD1 3.59Å; K214-L216 HydrophobicContact CD-CD2 4.13Å; K214-L216 HydrophobicContact CG-CD2 4.24Å; K214-L216 PolarHBondContact O-N 3.38Å; L216-L224 HydrophobicContact CB-CD2 4.3Å; L216-L224 HydrophobicContact CD1-CD2 4.34Å; L216-L224 PolarHBondContact N-O 2.96Å
217F88.8Confident88.9Confident82 Ų8258.3 Ų58.336%0.3629%0.29SS..EExtended strand (participates in β ladder)trans-156.3152.5-177.2-170.1-92.6000111.2L161 I169 D219 G223 L224L161-F217 HydrophobicContact CD1-CD1 4.21Å; L161-F217 HydrophobicContact CD2-CD1 3.8Å; L161-F217 HydrophobicContact CD2-CE1 4.46Å; L161-F217 HydrophobicContact CG-CD1 4.34Å; I169-F217 HydrophobicContact CD1-CD1 4.4Å; I169-F217 HydrophobicContact CD1-CG 4.39Å; I169-F217 HydrophobicContact CG1-CG 4.48Å; I169-F217 HydrophobicContact CG2-CB 3.44Å; I169-F217 VanDerWaalsContact CG2-CB 3.44Å; I169-F217 HydrophobicContact CG2-CD2 4.36Å; I169-F217 HydrophobicContact CG2-CG 4.04Å; F217-D219 HydrophobicContact CE1-CB 4.22Å; F217-G223 WeakPolarHBondContact O-CA 3.34Å; F217-L224 HydrophobicContact CB-CB 4.43Å; F217-L224 PolarHBondContact O-N 2.85Å
218E88.6Confident89Confident86 Ų8655.8 Ų55.840%0.40228%0.279SS..EExtended strand (participates in β ladder)trans-129.2126.1176.8-176.6172.9159.300109.1K191 Q215K191-E218 WeakPolarHBondContact CE-OE1 3.47Å; K191-E218 IonicContact NZ-OE1 2.67Å; K191-E218 PolarHBondContact NZ-OE1 3.44Å; Q215-E218 PolarHBondContact NE2-OE2 3.09Å
219D85.8Confident89.1Confident32 Ų3255.2 Ų55.217%0.17128%0.275CS..  trans-97.9-165.1169.973.727.4000110.4L161 K191 F217 D221 S222L161-D219 HydrophobicContact CD1-CB 4.01Å; L161-D219 WeakPolarHBondContact CD1-OD2 3.32Å; L161-D219 HydrophobicContact CG-CB 4.18Å; L161-D219 WeakPolarHBondContact CG-OD2 3.45Å; L161-D219 PolarHBondContact N-OD2 3.45Å; K191-D219 WeakPolarHBondContact CE-O 3.35Å; K191-D219 PolarHBondContact NZ-O 3.2Å; F217-D219 HydrophobicContact CE1-CB 4.22Å; D219-D221 PolarHBondContact OD1-N 2.98Å; D219-S222 PolarHBondContact N-O 3.08Å; D219-S222 WeakPolarHBondContact OD1-CA 3.35Å; D219-S222 PolarHBondContact OD1-N 3.35Å
220N84.3Confident89.2Confident147 Ų14757 Ų5779%0.78628%0.279SS*.SBendtrans-70.8-29.1-178.5-72.4-21.7000113.3K191K191-N220 VanDerWaalsContact CE-O 3.28Å; K191-N220 WeakPolarHBondContact CE-O 3.19Å; K191-N220 PolarHBondContact NZ-O 2.94Å
221D85.4Confident89.2Confident129 Ų12959.8 Ų59.869%0.6928%0.279SS*.SBendtrans-119.8-23.1-169.4-69.4-31.9000113.6K191 D219K191-D221 PolarHBondContact N-O 3.45Å; D219-D221 PolarHBondContact OD1-N 2.98Å
222S90.2Very high89.3Confident19 Ų1957.9 Ų57.913%0.13328%0.277CS..EExtended strand (participates in β ladder)trans-144.7158.6-169.4-64.30000112.6L161 V189 Y194 D219L161-S222 WeakPolarHBondContact CD1-O 3.43Å; V189-S222 CarbonylContact O-C 3.56Å; V189-S222 WeakPolarHBondContact O-CA 3.36Å; V189-S222 WeakPolarHBondContact O-CB 3.12Å; Y194-S222 VanDerWaalsContact OH-C 3.24Å; Y194-S222 PolarHBondContact OH-O 3.41Å; D219-S222 PolarHBondContact N-O 3.08Å; D219-S222 WeakPolarHBondContact OD1-CA 3.35Å; D219-S222 PolarHBondContact OD1-N 3.35Å
223G90.4Very high89.4Confident0 Ų057 Ų570%027%0.271CS..EExtended strand (participates in β ladder)trans-121.5144.9174.300000111.1V188 V189 Y194 F217V188-G223 WeakPolarHBondContact CA-O 3.29Å; V189-G223 PolarHBondContact N-O 3.4Å; V189-G223 PolarHBondContact O-N 2.99Å; Y194-G223 WeakPolarHBondContact OH-CA 3.22Å; Y194-G223 PolarHBondContact OH-N 3.2Å; F217-G223 WeakPolarHBondContact O-CA 3.34Å
224L92.1Very high89.3Confident0 Ų056.8 Ų56.80%027%0.27CS..EExtended strand (participates in β ladder)trans-96.2118.3172.9-171.171.2000108.9L161 L166 I169 V170 L186 V188 L216 F217L161-L224 HydrophobicContact CD1-CB 4.14Å; L161-L224 HydrophobicContact CD2-CB 4.17Å; L166-L224 HydrophobicContact CD1-CD1 4.31Å; L166-L224 HydrophobicContact CD1-CD2 4.44Å; L166-L224 HydrophobicContact CD2-CD1 4.44Å; L166-L224 HydrophobicContact CD2-CD2 3.95Å; I169-L224 HydrophobicContact CG2-CD2 3.79Å; V170-L224 HydrophobicContact CG1-CD2 4.24Å; L186-L224 HydrophobicContact CB-CD1 4.06Å; V188-L224 HydrophobicContact CG2-CD1 3.89Å; L216-L224 HydrophobicContact CB-CD2 4.3Å; L216-L224 HydrophobicContact CD1-CD2 4.34Å; L216-L224 PolarHBondContact N-O 2.96Å; F217-L224 HydrophobicContact CB-CB 4.43Å; F217-L224 PolarHBondContact O-N 2.85Å
225F91.5Very high89.4Confident5 Ų557.8 Ų57.82%0.02228%0.281CS..EExtended strand (participates in β ladder)trans-113.5140.9176.3-65.6-92.9000110.1L186 V187 V189 Y194 W197 K214 Q215L186-F225 CarbonylContact C-O 3.58Å; L186-F225 WeakPolarHBondContact CA-O 3.34Å; V187-F225 PolarHBondContact N-O 2.76Å; V187-F225 PolarHBondContact O-N 3.05Å; V189-F225 HydrophobicContact CB-CD2 3.96Å; V189-F225 HydrophobicContact CB-CE2 3.97Å; V189-F225 HydrophobicContact CG2-CD2 3.74Å; V189-F225 HydrophobicContact CG2-CE2 4.23Å; Y194-F225 AromaticContact CD1-CE2 3.92Å; Y194-F225 HydrophobicContact CD1-CE2 3.92Å; Y194-F225 HydrophobicContact CD1-CZ 4.12Å; Y194-F225 HydrophobicContact CD2-CZ 4.26Å; Y194-F225 AromaticContact CE1-CE2 3.69Å; Y194-F225 HydrophobicContact CE1-CE2 3.69Å; Y194-F225 HydrophobicContact CE1-CZ 4.11Å; Y194-F225 HydrophobicContact CE2-CZ 4.27Å; Y194-F225 HydrophobicContact CG-CE2 4.46Å; Y194-F225 HydrophobicContact CG-CZ 4.2Å; W197-F225 HydrophobicContact CZ2-CB 4.37Å; W197-F225 AromaticContact NE1-CD1 3.92Å; W197-F225 AromaticContact NE1-CG 3.68Å; K214-F225 CarbonylContact O-C 3.35Å; K214-F225 VanDerWaalsContact O-CA 3.29Å; K214-F225 WeakPolarHBondContact O-CA 3.34Å; Q215-F225 HydrophobicContact CB-CD1 3.91Å; Q215-F225 HydrophobicContact CB-CE1 3.58Å; Q215-F225 HydrophobicContact CB-CZ 4.27Å; Q215-F225 HydrophobicContact CG-CD1 4.35Å; Q215-F225 HydrophobicContact CG-CE1 3.83Å; Q215-F225 HydrophobicContact CG-CZ 4Å
226S92.2Very high89.4Confident5 Ų557.1 Ų57.14%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-87.5151163.560.40000110.3M185 T213 K214M185-S226 WeakPolarHBondContact O-CA 3.46Å; T213-S226 WeakPolarHBondContact CA-O 3.35Å; T213-S226 PolarHBondContact OG1-O 3.06Å; K214-S226 PolarHBondContact N-O 2.93Å; K214-S226 PolarHBondContact O-N 3.3Å; K214-S226 PolarHBondContact O-OG 2.69Å
227V91.8Very high89.4Confident0 Ų055.7 Ų55.70%027%0.272CS..EExtended strand (participates in β ladder)trans-144135.6169.4176.50000109T184 M185 W197 Y201 V208 L229 F237T184-V227 CarbonylContact C-O 3.56Å; T184-V227 WeakPolarHBondContact CA-O 3.23Å; M185-V227 PolarHBondContact N-O 3.3Å; M185-V227 PolarHBondContact O-N 3.4Å; W197-V227 HydrophobicContact CH2-CG2 3.97Å; W197-V227 HydrophobicContact CZ2-CG2 3.39Å; Y201-V227 HydrophobicContact CD2-CG1 4.33Å; Y201-V227 HydrophobicContact CD2-CG2 4.19Å; V208-V227 HydrophobicContact CG1-CG1 3.96Å; V227-L229 HydrophobicContact CG1-CD2 4.14Å; V227-F237 HydrophobicContact CB-CZ 4.44Å; V227-F237 HydrophobicContact CG1-CE2 4.47Å; V227-F237 HydrophobicContact CG1-CZ 4.16Å; V227-F237 HydrophobicContact CG2-CZ 4.48Å
228T90.8Very high89.5Confident17 Ų1754.7 Ų54.710%0.10427%0.266CS..EExtended strand (participates in β ladder)trans-100.3129.8173.8-50.70000110.1V176 L182 V183 T184 V209 S212V176-T228 HydrophobicContact CG2-CG2 3.92Å; L182-T228 HydrophobicContact CB-CG2 4.18Å; L182-T228 HydrophobicContact CD1-CG2 4.45Å; V183-T228 WeakPolarHBondContact O-CA 3.34Å; T184-T228 PolarHBondContact OG1-OG1 2.9Å; V209-T228 WeakPolarHBondContact CB-O 3.33Å; V209-T228 HydrophobicContact CG2-CG2 4.19Å; V209-T228 PolarHBondContact N-O 3.38Å; S212-T228 PolarHBondContact OG-N 3.05Å; S212-T228 PolarHBondContact OG-O 3.28Å
229L91.6Very high89.6Confident0 Ų056.1 Ų56.10%027%0.272CS..EExtended strand (participates in β ladder)trans-143.3168.6177.457.8141.5000110.8L182 V183 M185 M207 V208 V227 A233 V234 F237L182-L229 WeakPolarHBondContact CA-O 3.39Å; V183-L229 HydrophobicContact CG1-CG 4.38Å; V183-L229 PolarHBondContact N-O 2.93Å; V183-L229 PolarHBondContact O-N 3.29Å; V183-L229 VanDerWaalsContact O-O 3.09Å; M185-L229 HydrophobicContact CB-CD2 4.12Å; M185-L229 HydrophobicContact CG-CD2 3.81Å; M207-L229 WeakPolarHBondContact O-CA 3.34Å; V208-L229 HydrophobicContact CG2-CB 4.28Å; V227-L229 HydrophobicContact CG1-CD2 4.14Å; L229-A233 HydrophobicContact CD1-CB 4.38Å; L229-V234 HydrophobicContact CD1-CB 4.39Å; L229-V234 HydrophobicContact CD1-CG2 3.87Å; L229-F237 HydrophobicContact CD1-CB 3.9Å; L229-F237 HydrophobicContact CD1-CD1 4.49Å; L229-F237 HydrophobicContact CD1-CG 4.17Å; L229-F237 HydrophobicContact CD2-CD1 4.31Å; L229-F237 HydrophobicContact CD2-CE1 4.45Å
230F90.1Very high89.8Confident85 Ų8557.6 Ų57.637%0.37328%0.277SS..EExtended strand (participates in β ladder)trans-73.6142174-77-109.3000111.1Y181 L182 M207 K232 A233Y181-F230 CarbonylContact O-C 3.18Å; Y181-F230 VanDerWaalsContact O-CA 3.26Å; Y181-F230 WeakPolarHBondContact O-CA 3.49Å; L182-F230 HydrophobicContact CD2-CD1 4.27Å; L182-F230 HydrophobicContact CD2-CD2 3.67Å; L182-F230 HydrophobicContact CD2-CE1 4.26Å; L182-F230 HydrophobicContact CD2-CE2 3.65Å; L182-F230 HydrophobicContact CD2-CG 4Å; L182-F230 HydrophobicContact CD2-CZ 3.96Å; M207-F230 HydrophobicContact CB-CB 3.73Å; M207-F230 HydrophobicContact CB-CD2 3.82Å; M207-F230 HydrophobicContact CB-CG 3.97Å; M207-F230 WeakPolarHBondContact O-CD2 3.44Å; M207-F230 PolarHBondContact O-N 3.41Å; M207-F230 HydrophobicContact SD-CB 4.13Å; M207-F230 HydrophobicContact SD-CG 4.4Å; F230-K232 PolarHBondContact O-N 2.91Å; F230-K232 VanDerWaalsContact O-N 3.09Å; F230-A233 PolarHBondContact O-N 3.15Å
231R86.9Confident90.1Very high140 Ų14050.6 Ų50.653%0.52824%0.24SC..G310 helixtrans-52.8-35179.2-73.6-176.9-175.1-99.22.4113.3S179 E180 Y181 V183 A233 V234S179-R231 PolarHBondContact O-NE 3.04Å; S179-R231 PolarHBondContact O-NH2 2.86Å; E180-R231 WeakPolarHBondContact O-CD 3.47Å; Y181-R231 PolarHBondContact O-N 3.01Å; V183-R231 HydrophobicContact CB-CG 3.97Å; V183-R231 HydrophobicContact CG1-CG 4.01Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 2.81Å; R231-V234 VanDerWaalsContact O-CG2 3.31Å; R231-V234 WeakPolarHBondContact O-CG2 3.29Å; R231-V234 PolarHBondContact O-N 2.87Å
232K89.2Confident90.2Very high187 Ų18751.8 Ų51.881%0.81323%0.234SC*.G310 helixtrans-66.7-22.5178.6-68.9-176178.6-179.40114M207 F230M207-K232 HydrophobicContact CE-CB 3.55Å; M207-K232 HydrophobicContact SD-CB 4.49Å; F230-K232 PolarHBondContact O-N 2.91Å; F230-K232 VanDerWaalsContact O-N 3.09Å
233A89Confident90.2Very high5 Ų556.9 Ų56.94%0.04126%0.256CS..G310 helixtrans-99.84.6-177.700000113.6A205 M207 L229 F230 R231 D235 F237A205-A233 HydrophobicContact CB-CB 4.38Å; M207-A233 HydrophobicContact CB-CB 3.91Å; M207-A233 HydrophobicContact CE-CB 3.71Å; L229-A233 HydrophobicContact CD1-CB 4.38Å; F230-A233 PolarHBondContact O-N 3.15Å; R231-A233 VanDerWaalsContact C-N 3.26Å; R231-A233 PolarHBondContact O-N 2.81Å; A233-D235 PolarHBondContact O-N 3.3Å; A233-F237 VanDerWaalsContact O-CB 3.23Å; A233-F237 WeakPolarHBondContact O-CB 3.47Å; A233-F237 PolarHBondContact O-N 3.23Å
234V88.1Confident90Very high31 Ų3160.1 Ų60.119%0.18827%0.274CS..Hα-helixtrans-61.2-45.4-175.2174.10000112.2V183 M185 L229 R231 R238V183-V234 HydrophobicContact CG1-CG2 3.46Å; V183-V234 VanDerWaalsContact CG1-CG2 3.46Å; M185-V234 HydrophobicContact CE-CG1 4.37Å; M185-V234 HydrophobicContact SD-CG1 4.43Å; L229-V234 HydrophobicContact CD1-CB 4.39Å; L229-V234 HydrophobicContact CD1-CG2 3.87Å; R231-V234 VanDerWaalsContact O-CG2 3.31Å; R231-V234 WeakPolarHBondContact O-CG2 3.29Å; R231-V234 PolarHBondContact O-N 2.87Å; V234-R238 VanDerWaalsContact O-CB 3.27Å; V234-R238 WeakPolarHBondContact O-CB 3.38Å; V234-R238 PolarHBondContact O-N 3.47Å
235D89.9Confident89.9Confident130 Ų13067.8 Ų67.870%0.69531%0.307SS*.Hα-helixtrans-69.8-41.7-177-65.4-39.6000112.2A233 R238 H239A233-D235 PolarHBondContact O-N 3.3Å; D235-R238 PolarHBondContact O-N 3.48Å; D235-H239 PolarHBondContact O-N 3.48Å
236D91.1Very high89.9Confident69 Ų6967.8 Ų67.837%0.36931%0.307SS..Hα-helixtrans-63.7-45175.8-175.145.9000111.2R238 H239 K240D236-R238 VanDerWaalsContact C-N 3.32Å; D236-R238 PolarHBondContact O-N 2.95Å; D236-H239 PolarHBondContact O-N 3.22Å; D236-K240 PolarHBondContact O-N 3.04Å; D236-K240 WeakPolarHBondContact OD1-CE 3.37Å; D236-K240 IonicContact OD1-NZ 2.96Å; D236-K240 PolarHBondContact OD1-NZ 2.91Å; D236-K240 IonicContact OD2-NZ 2.82Å; D236-K240 PolarHBondContact OD2-NZ 3.39Å
237F90.5Very high89.7Confident1 Ų170.7 Ų70.70%0.00432%0.324CS..Hα-helixtrans-60.6-42.8174.9-175.4-96.5000111.6V187 W197 L204 A205 V208 V227 L229 A233 H239 A241 V248V187-F237 HydrophobicContact CG2-CE1 4.02Å; V187-F237 HydrophobicContact CG2-CZ 4.47Å; W197-F237 AromaticContact CH2-CZ 3.85Å; W197-F237 HydrophobicContact CH2-CZ 3.85Å; W197-F237 HydrophobicContact CZ3-CZ 4.47Å; L204-F237 HydrophobicContact CB-CD2 3.96Å; L204-F237 HydrophobicContact CB-CE2 3.96Å; L204-F237 HydrophobicContact CD1-CD2 4.42Å; L204-F237 HydrophobicContact CD1-CE2 3.76Å; L204-F237 HydrophobicContact CD1-CZ 4.22Å; A205-F237 HydrophobicContact CB-CB 4.16Å; A205-F237 HydrophobicContact CB-CD2 4.28Å; V208-F237 HydrophobicContact CG2-CD2 3.83Å; V208-F237 HydrophobicContact CG2-CE2 4.05Å; V227-F237 HydrophobicContact CB-CZ 4.44Å; V227-F237 HydrophobicContact CG1-CE2 4.47Å; V227-F237 HydrophobicContact CG1-CZ 4.16Å; V227-F237 HydrophobicContact CG2-CZ 4.48Å; L229-F237 HydrophobicContact CD1-CB 3.9Å; L229-F237 HydrophobicContact CD1-CD1 4.49Å; L229-F237 HydrophobicContact CD1-CG 4.17Å; L229-F237 HydrophobicContact CD2-CD1 4.31Å; L229-F237 HydrophobicContact CD2-CE1 4.45Å; A233-F237 VanDerWaalsContact O-CB 3.23Å; A233-F237 WeakPolarHBondContact O-CB 3.47Å; A233-F237 PolarHBondContact O-N 3.23Å; F237-H239 VanDerWaalsContact C-N 3.33Å; F237-H239 PolarHBondContact O-N 2.93Å; F237-A241 WeakPolarHBondContact O-CB 3.43Å; F237-A241 PolarHBondContact O-N 2.66Å; F237-V248 HydrophobicContact CD1-CG2 4.37Å; F237-V248 HydrophobicContact CE1-CG2 4.25Å
238R89.8Confident89.7Confident61 Ų6171 Ų7123%0.2333%0.327CS..Hα-helixtrans-64-38.3178.7-170173.5-163.6172.86.7112.3V234 D235 D236 R242 V248 D250V234-R238 VanDerWaalsContact O-CB 3.27Å; V234-R238 WeakPolarHBondContact O-CB 3.38Å; V234-R238 PolarHBondContact O-N 3.47Å; D235-R238 PolarHBondContact O-N 3.48Å; D236-R238 VanDerWaalsContact C-N 3.32Å; D236-R238 PolarHBondContact O-N 2.95Å; R238-R242 WeakPolarHBondContact O-CG 3.5Å; R238-R242 PolarHBondContact O-N 3.48Å; R238-V248 HydrophobicContact CG-CB 4.35Å; R238-V248 HydrophobicContact CG-CG2 4.46Å; R238-D250 IonicContact CZ-OD1 2.73Å; R238-D250 IonicContact CZ-OD2 3.91Å; R238-D250 IonicContact NE-OD1 2.91Å; R238-D250 VanDerWaalsContact NH1-CG 3.3Å; R238-D250 IonicContact NH1-OD1 2.83Å; R238-D250 PolarHBondContact NH1-OD1 3.39Å; R238-D250 IonicContact NH1-OD2 2.66Å; R238-D250 PolarHBondContact NH1-OD2 3.1Å; R238-D250 IonicContact NH2-OD1 3Å; R238-D250 PolarHBondContact NH2-OD1 2.74Å; R238-D250 IonicContact NH2-OD2 3.31Å; R238-D250 PolarHBondContact NH2-OD2 2.81Å
239H90.9Very high89.6Confident115 Ų11573.3 Ų73.353%0.53233%0.333SS..Hα-helixtrans-65.9-53.4177.5-166.768.9000111.1D235 D236 F237 A241 R242 E243D235-H239 PolarHBondContact O-N 3.48Å; D236-H239 PolarHBondContact O-N 3.22Å; F237-H239 VanDerWaalsContact C-N 3.33Å; F237-H239 PolarHBondContact O-N 2.93Å; H239-A241 VanDerWaalsContact C-N 3.34Å; H239-A241 PolarHBondContact O-N 3.39Å; H239-R242 WeakPolarHBondContact O-CB 3.26Å; H239-R242 PolarHBondContact O-N 3.01Å; H239-R242 VanDerWaalsContact O-N 3.1Å; H239-E243 IonicContact CD2-OE1 2.66Å; H239-E243 IonicContact NE2-OE1 2.86Å; H239-E243 PolarHBondContact O-N 3.46Å
240K90.4Very high89.1Confident64 Ų6478.1 Ų78.128%0.27836%0.359SS..Hα-helixtrans-69.1-30.4-178.6-67174.4179.1162.40113.5L204 D236 R242 E243 N244L204-K240 HydrophobicContact CD2-CB 4.07Å; L204-K240 WeakPolarHBondContact O-CD 3.17Å; L204-K240 WeakPolarHBondContact O-CE 3.4Å; L204-K240 PolarHBondContact O-NZ 3.04Å; D236-K240 PolarHBondContact O-N 3.04Å; D236-K240 WeakPolarHBondContact OD1-CE 3.37Å; D236-K240 IonicContact OD1-NZ 2.96Å; D236-K240 PolarHBondContact OD1-NZ 2.91Å; D236-K240 IonicContact OD2-NZ 2.82Å; D236-K240 PolarHBondContact OD2-NZ 3.39Å; K240-R242 VanDerWaalsContact C-N 3.34Å; K240-E243 PolarHBondContact O-N 3.35Å; K240-N244 PolarHBondContact O-N 3.26Å; K240-N244 PolarHBondContact O-ND2 3.16Å
241A89.6Confident88.8Confident0 Ų075.8 Ų75.80%035%0.349CS..Hα-helixtrans-61.4-44.7170.500000110.6F237 H239 N244 K245 F246 V248F237-A241 WeakPolarHBondContact O-CB 3.43Å; F237-A241 PolarHBondContact O-N 2.66Å; H239-A241 VanDerWaalsContact C-N 3.34Å; H239-A241 PolarHBondContact O-N 3.39Å; A241-N244 CarbonylContact O-C 3.36Å; A241-N244 PolarHBondContact O-N 2.99Å; A241-K245 PolarHBondContact O-N 2.93Å; A241-F246 CarbonylContact C-O 3.47Å; A241-F246 VanDerWaalsContact C-O 3.27Å; A241-F246 HydrophobicContact CB-CB 4.18Å; A241-F246 WeakPolarHBondContact O-CA 3.44Å; A241-F246 WeakPolarHBondContact O-CB 3.43Å; A241-F246 PolarHBondContact O-N 3.29Å; A241-F246 VanDerWaalsContact O-O 3.09Å; A241-V248 HydrophobicContact CB-CG2 3.6Å
242R88.6Confident88.4Confident153 Ų15377.1 Ų77.158%0.57736%0.361SS*.Hα-helixtrans-64.2-40177.1-75174.7176.9-179.31.5112.6R238 H239 K240 N244 K245R238-R242 WeakPolarHBondContact O-CG 3.5Å; R238-R242 PolarHBondContact O-N 3.48Å; H239-R242 WeakPolarHBondContact O-CB 3.26Å; H239-R242 PolarHBondContact O-N 3.01Å; H239-R242 VanDerWaalsContact O-N 3.1Å; K240-R242 VanDerWaalsContact C-N 3.34Å; R242-N244 PolarHBondContact O-N 3.34Å; R242-K245 PolarHBondContact O-N 2.93Å
243E90.3Very high88.1Confident127 Ų12770.3 Ų70.359%0.59333%0.33SS*.Hα-helixtrans-58.7-38.4175.2-68.9-179.3154.200112.1H239 K240 K245H239-E243 IonicContact CD2-OE1 2.66Å; H239-E243 IonicContact NE2-OE1 2.86Å; H239-E243 PolarHBondContact O-N 3.46Å; K240-E243 PolarHBondContact O-N 3.35Å; E243-K245 PolarHBondContact O-N 3.03Å
244N86.5Confident87.8Confident68 Ų6872.4 Ų72.436%0.36434%0.341SS..THydrogen-bonded Turntrans-85.513.6176.9-68.9-65.8000114L204 K240 A241 R242 F246L204-N244 VanDerWaalsContact CD2-ND2 3.33Å; L204-N244 WeakPolarHBondContact CD2-ND2 3.29Å; K240-N244 PolarHBondContact O-N 3.26Å; K240-N244 PolarHBondContact O-ND2 3.16Å; A241-N244 CarbonylContact O-C 3.36Å; A241-N244 PolarHBondContact O-N 2.99Å; R242-N244 PolarHBondContact O-N 3.34Å; N244-F246 HydrophobicContact CB-CD2 3.59Å; N244-F246 HydrophobicContact CB-CE2 3.44Å; N244-F246 VanDerWaalsContact CB-CE2 3.44Å; N244-F246 HydrophobicContact CB-CG 4.45Å; N244-F246 HydrophobicContact CB-CZ 4.19Å; N244-F246 PolarHBondContact O-N 3.12Å
245K88.6Confident87.5Confident161 Ų16175.8 Ų75.870%0.736%0.355SS*.THydrogen-bonded Turntrans63.521.2-179.5-51.6177.1179.8176.30114.6A241 R242 E243A241-K245 PolarHBondContact O-N 2.93Å; R242-K245 PolarHBondContact O-N 2.93Å; E243-K245 PolarHBondContact O-N 3.03Å
246F91.1Very high87.3Confident5 Ų577.1 Ų77.12%0.02236%0.357CS..  trans-91132.6171-50.2-48.5000109.9V187 V189 N193 W197 A241 N244V187-F246 HydrophobicContact CG1-CB 3.8Å; V189-F246 HydrophobicContact CB-CD1 4.35Å; V189-F246 HydrophobicContact CG1-CD1 3.86Å; V189-F246 HydrophobicContact CG1-CE1 3.76Å; V189-F246 HydrophobicContact CG2-CD1 4.04Å; N193-F246 HydrophobicContact CB-CE1 3.95Å; W197-F246 HydrophobicContact CB-CE1 4.24Å; W197-F246 HydrophobicContact CB-CZ 4.15Å; W197-F246 HydrophobicContact CE3-CB 4.5Å; W197-F246 HydrophobicContact CE3-CD1 4.11Å; W197-F246 AromaticContact CE3-CD2 3.5Å; W197-F246 HydrophobicContact CE3-CD2 3.5Å; W197-F246 HydrophobicContact CE3-CE1 4.17Å; W197-F246 AromaticContact CE3-CE2 3.58Å; W197-F246 HydrophobicContact CE3-CE2 3.58Å; W197-F246 AromaticContact CE3-CG 3.78Å; W197-F246 HydrophobicContact CE3-CG 3.78Å; W197-F246 AromaticContact CE3-CZ 3.92Å; W197-F246 HydrophobicContact CE3-CZ 3.92Å; W197-F246 HydrophobicContact CZ3-CB 4.21Å; W197-F246 AromaticContact CZ3-CD2 3.6Å; W197-F246 HydrophobicContact CZ3-CD2 3.6Å; W197-F246 HydrophobicContact CZ3-CE2 4.09Å; W197-F246 AromaticContact CZ3-CG 3.92Å; W197-F246 HydrophobicContact CZ3-CG 3.92Å; A241-F246 CarbonylContact C-O 3.47Å; A241-F246 VanDerWaalsContact C-O 3.27Å; A241-F246 HydrophobicContact CB-CB 4.18Å; A241-F246 WeakPolarHBondContact O-CA 3.44Å; A241-F246 WeakPolarHBondContact O-CB 3.43Å; A241-F246 PolarHBondContact O-N 3.29Å; A241-F246 VanDerWaalsContact O-O 3.09Å; N244-F246 HydrophobicContact CB-CD2 3.59Å; N244-F246 HydrophobicContact CB-CE2 3.44Å; N244-F246 VanDerWaalsContact CB-CE2 3.44Å; N244-F246 HydrophobicContact CB-CG 4.45Å; N244-F246 HydrophobicContact CB-CZ 4.19Å; N244-F246 PolarHBondContact O-N 3.12Å
247T89.7Confident86.9Confident65 Ų6579.3 Ų79.340%0.39937%0.365SS..EExtended strand (participates in β ladder)trans-101.8111-179-59.60000110.3L162 V188L162-T247 HydrophobicContact CD2-CG2 3.78Å; V188-T247 PolarHBondContact N-O 3Å; V188-T247 PolarHBondContact O-N 3.01Å
248V90.7Very high86.5Confident8 Ų880.9 Ų80.95%0.04837%0.373CS..EExtended strand (participates in β ladder)trans-78.8122.8174-173.40000109.8M185 V187 F237 R238 A241M185-V248 HydrophobicContact CB-CG1 4.29Å; M185-V248 HydrophobicContact CE-CG1 3.47Å; M185-V248 VanDerWaalsContact CE-CG1 3.47Å; V187-V248 HydrophobicContact CG1-CG2 4.49Å; V187-V248 HydrophobicContact CG2-CG2 4.14Å; F237-V248 HydrophobicContact CD1-CG2 4.37Å; F237-V248 HydrophobicContact CE1-CG2 4.25Å; R238-V248 HydrophobicContact CG-CB 4.35Å; R238-V248 HydrophobicContact CG-CG2 4.46Å; A241-V248 HydrophobicContact CB-CG2 3.6Å
249R88.8Confident86.3Confident64 Ų6484.3 Ų84.324%0.24239%0.389CS..EExtended strand (participates in β ladder)trans-89.1122.8175.2-71.1-76.8-76.1159.81.3109.1L162 R164 L166 L186 V188 F251L162-R249 WeakPolarHBondContact O-CD 3.34Å; L162-R249 PolarHBondContact O-NE 3.36Å; L162-R249 PolarHBondContact O-NH1 2.84Å; R164-R249 PolarHBondContact O-NH2 3.08Å; L166-R249 HydrophobicContact CD1-CB 4.09Å; L166-R249 HydrophobicContact CD1-CG 4.3Å; L186-R249 HydrophobicContact CB-CB 4.28Å; L186-R249 PolarHBondContact O-N 3Å; V188-R249 HydrophobicContact CG2-CG 3.72Å; R249-F251 PolarHBondContact O-N 2.98Å; R249-F251 VanDerWaalsContact O-N 3.14Å
250D81.2Confident86.1Confident101 Ų10181.2 Ų81.254%0.5438%0.383SS..  trans-73.9105.6170.4-62.9-23.2000107.5R238R238-D250 IonicContact CZ-OD1 2.73Å; R238-D250 IonicContact CZ-OD2 3.91Å; R238-D250 IonicContact NE-OD1 2.91Å; R238-D250 VanDerWaalsContact NH1-CG 3.3Å; R238-D250 IonicContact NH1-OD1 2.83Å; R238-D250 PolarHBondContact NH1-OD1 3.39Å; R238-D250 IonicContact NH1-OD2 2.66Å; R238-D250 PolarHBondContact NH1-OD2 3.1Å; R238-D250 IonicContact NH2-OD1 3Å; R238-D250 PolarHBondContact NH2-OD1 2.74Å; R238-D250 IonicContact NH2-OD2 3.31Å; R238-D250 PolarHBondContact NH2-OD2 2.81Å
251F83.3Confident85.8Confident37 Ų3781.9 Ų81.916%0.16239%0.39CS..  trans-140.4120178.2-175.8-91.8000108.7L166 V170 F175 L186 R249 Y253 M258L166-F251 HydrophobicContact CB-CD2 4.08Å; L166-F251 HydrophobicContact CB-CE2 4.08Å; L166-F251 HydrophobicContact CD1-CB 4.36Å; L166-F251 HydrophobicContact CD1-CD2 4.42Å; L166-F251 HydrophobicContact CD1-CG 4.44Å; V170-F251 HydrophobicContact CG2-CE1 3.65Å; V170-F251 HydrophobicContact CG2-CZ 3.86Å; F175-F251 AromaticContact CE1-CD1 4Å; F175-F251 HydrophobicContact CE1-CD1 4Å; F175-F251 HydrophobicContact CE1-CE1 4.43Å; F175-F251 HydrophobicContact CE2-CE1 4.36Å; F175-F251 AromaticContact CZ-CD1 3.69Å; F175-F251 HydrophobicContact CZ-CD1 3.69Å; F175-F251 AromaticContact CZ-CE1 3.78Å; F175-F251 HydrophobicContact CZ-CE1 3.78Å; L186-F251 HydrophobicContact CD1-CB 3.83Å; L186-F251 HydrophobicContact CD1-CD1 3.87Å; L186-F251 HydrophobicContact CD1-CG 3.96Å; R249-F251 PolarHBondContact O-N 2.98Å; R249-F251 VanDerWaalsContact O-N 3.14Å; F251-Y253 HydrophobicContact CE1-CD2 4.28Å; F251-M258 HydrophobicContact CE2-SD 3.93Å; F251-M258 HydrophobicContact CZ-SD 3.7Å
252Q79.9Confident85.6Confident168 Ų16888.2 Ų88.279%0.78542%0.418SS*.  trans-102.1121.8171.8-172.8167.45.900107.8N254Q252-N254 PolarHBondContact O-N 2.87Å; Q252-N254 VanDerWaalsContact O-N 3.14Å
253Y81.4Confident85.7Confident43 Ų4386.2 Ų86.217%0.16942%0.415CS..  trans-68.3114177.5-174.3-89.6000109.6V170 K172 F175 L177 F251 E255V170-Y253 HydrophobicContact CG2-CD2 4.13Å; V170-Y253 HydrophobicContact CG2-CE2 4.36Å; K172-Y253 HydrophobicContact CB-CE1 4.27Å; K172-Y253 WeakPolarHBondContact CB-OH 3.3Å; K172-Y253 HydrophobicContact CG-CE1 4.15Å; K172-Y253 PolarHBondContact N-OH 3.36Å; F175-Y253 AromaticContact CD2-CD2 3.49Å; F175-Y253 HydrophobicContact CD2-CD2 3.49Å; F175-Y253 VanDerWaalsContact CD2-CD2 3.49Å; F175-Y253 HydrophobicContact CD2-CE2 4.27Å; F175-Y253 AromaticContact CD2-CG 3.74Å; F175-Y253 HydrophobicContact CD2-CG 3.74Å; F175-Y253 AromaticContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CD2 3.37Å; F175-Y253 HydrophobicContact CE2-CE2 4.21Å; F175-Y253 AromaticContact CE2-CG 3.98Å; F175-Y253 HydrophobicContact CE2-CG 3.98Å; F175-Y253 HydrophobicContact CG-CD2 4.4Å; F175-Y253 HydrophobicContact CG-CG 4.24Å; F175-Y253 HydrophobicContact CZ-CD2 4.22Å; L177-Y253 HydrophobicContact CD1-CD1 4.26Å; L177-Y253 HydrophobicContact CD1-CE1 4.38Å; L177-Y253 HydrophobicContact CD2-CD1 3.81Å; L177-Y253 HydrophobicContact CD2-CG 4.36Å; F251-Y253 HydrophobicContact CE1-CD2 4.28Å; Y253-E255 HydrophobicContact CE1-CB 4.02Å
254N83.1Confident85.6Confident50 Ų5083.4 Ų83.427%0.26740%0.402SS..  trans-128.5105.8172.7-175.5-16000109.1Q252 E256 E257 M258Q252-N254 PolarHBondContact O-N 2.87Å; Q252-N254 VanDerWaalsContact O-N 3.14Å; N254-E256 PolarHBondContact O-N 3.01Å; N254-E256 PolarHBondContact OD1-N 2.76Å; N254-E257 HydrophobicContact CB-CB 4.1Å; N254-E257 HydrophobicContact CB-CG 4.29Å; N254-E257 WeakPolarHBondContact ND2-CG 3.47Å; N254-E257 PolarHBondContact ND2-OE1 3.31Å; N254-E257 VanDerWaalsContact ND2-OE1 3.11Å; N254-E257 PolarHBondContact O-N 2.76Å; N254-E257 PolarHBondContact OD1-N 2.78Å; N254-M258 WeakPolarHBondContact O-CG 3.46Å; N254-M258 PolarHBondContact O-N 2.82Å; N254-M258 VanDerWaalsContact O-N 3.14Å
255E82.3Confident85.6Confident101 Ų10181.8 Ų81.847%0.47239%0.392SS..Hα-helixtrans-61.5-33.3-176.9-166.4170.3175.200112.2K172 Y253 K259K172-E255 IonicContact NZ-OE2 3.87Å; K172-E255 PolarHBondContact NZ-OE2 2.81Å; Y253-E255 HydrophobicContact CE1-CB 4.02Å; E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.46Å; E255-K259 PolarHBondContact O-N 2.82Å; E255-K259 VanDerWaalsContact O-N 3.12Å
256E85.3Confident85.6Confident159 Ų15978 Ų7874%0.74338%0.383SS*.Hα-helixtrans-70.9-46.5-179.6-62.5-174.7165.400111.8N254 K259 A260N254-E256 PolarHBondContact O-N 3.01Å; N254-E256 PolarHBondContact OD1-N 2.76Å; E256-K259 PolarHBondContact O-N 2.83Å; E256-A260 VanDerWaalsContact O-CB 3.31Å; E256-A260 WeakPolarHBondContact O-CB 3.46Å; E256-A260 PolarHBondContact O-N 3.25Å
257E82.9Confident85.7Confident115 Ų11584 Ų8454%0.53741%0.405SS..Hα-helixtrans-64.6-45.1178.6-77.1173.6-16700111.8N254 K259 A260 D261N254-E257 HydrophobicContact CB-CB 4.1Å; N254-E257 HydrophobicContact CB-CG 4.29Å; N254-E257 WeakPolarHBondContact ND2-CG 3.47Å; N254-E257 PolarHBondContact ND2-OE1 3.31Å; N254-E257 VanDerWaalsContact ND2-OE1 3.11Å; N254-E257 PolarHBondContact O-N 2.76Å; N254-E257 PolarHBondContact OD1-N 2.78Å; E257-K259 VanDerWaalsContact C-N 3.3Å; E257-K259 PolarHBondContact O-N 3.16Å; E257-A260 PolarHBondContact O-N 2.79Å; E257-D261 PolarHBondContact O-N 2.82Å
258M82.2Confident85.7Confident34 Ų3481.9 Ų81.917%0.16739%0.391CS..Hα-helixtrans-65-37.1-180-58.8-66.886.400111.7A167 F251 N254 K262A167-M258 WeakPolarHBondContact CA-SD 3.36Å; A167-M258 HydrophobicContact CB-CB 4.37Å; A167-M258 HydrophobicContact CB-CE 4.2Å; A167-M258 HydrophobicContact CB-CG 4.25Å; A167-M258 HydrophobicContact CB-SD 3.14Å; A167-M258 WeakPolarHBondContact CB-SD 3.11Å; F251-M258 HydrophobicContact CE2-SD 3.93Å; F251-M258 HydrophobicContact CZ-SD 3.7Å; N254-M258 WeakPolarHBondContact O-CG 3.46Å; N254-M258 PolarHBondContact O-N 2.82Å; N254-M258 VanDerWaalsContact O-N 3.14Å; M258-K262 WeakPolarHBondContact O-CB 3.22Å; M258-K262 PolarHBondContact O-N 3Å
259K85.9Confident85.7Confident133 Ų13383.5 Ų83.558%0.57840%0.403SS*.Hα-helixtrans-67.7-44.2173.9-169.6-177-178.5-162.60111.2E255 E256 E257 D261 K262 E263E255-K259 VanDerWaalsContact O-CB 3.24Å; E255-K259 WeakPolarHBondContact O-CB 3.46Å; E255-K259 PolarHBondContact O-N 2.82Å; E255-K259 VanDerWaalsContact O-N 3.12Å; E256-K259 PolarHBondContact O-N 2.83Å; E257-K259 VanDerWaalsContact C-N 3.3Å; E257-K259 PolarHBondContact O-N 3.16Å; K259-D261 PolarHBondContact O-N 2.66Å; K259-K262 PolarHBondContact O-N 2.87Å; K259-E263 WeakPolarHBondContact CE-OE1 3.25Å; K259-E263 HydrophobicContact CG-CG 4.45Å; K259-E263 IonicContact NZ-OE1 3.13Å; K259-E263 WeakPolarHBondContact O-CB 3.43Å; K259-E263 WeakPolarHBondContact O-CG 3.38Å; K259-E263 PolarHBondContact O-N 3.08Å
260A87.3Confident85.8Confident49 Ų4983.1 Ų83.141%0.40541%0.408SS..Hα-helixtrans-60.3-44.4178.100000112.2E256 E257 K262 E263 E264E256-A260 VanDerWaalsContact O-CB 3.31Å; E256-A260 WeakPolarHBondContact O-CB 3.46Å; E256-A260 PolarHBondContact O-N 3.25Å; E257-A260 PolarHBondContact O-N 2.79Å; A260-K262 PolarHBondContact O-N 3.13Å; A260-E263 PolarHBondContact O-N 3.36Å; A260-E264 WeakPolarHBondContact O-CB 3.28Å; A260-E264 PolarHBondContact O-N 3.1Å
261D84.1Confident86.3Confident79 Ų7980.9 Ų80.942%0.42240%0.396SS..Hα-helixtrans-61.6-42.5177.2-78.1-10.8000111.9E257 K259 E264 M265E257-D261 PolarHBondContact O-N 2.82Å; K259-D261 PolarHBondContact O-N 2.66Å; D261-E264 PolarHBondContact O-N 3.3Å; D261-M265 WeakPolarHBondContact O-CB 3.43Å; D261-M265 PolarHBondContact O-N 2.9Å
262K85.1Confident86.6Confident132 Ų13282 Ų8257%0.57440%0.401SS*.Hα-helixtrans-69.9-39.8178.7-171173.1-174.7168.10112.3M258 K259 A260 T266M258-K262 WeakPolarHBondContact O-CB 3.22Å; M258-K262 PolarHBondContact O-N 3Å; K259-K262 PolarHBondContact O-N 2.87Å; A260-K262 PolarHBondContact O-N 3.13Å; K262-T266 WeakPolarHBondContact O-CB 3.45Å; K262-T266 PolarHBondContact O-N 3.32Å; K262-T266 PolarHBondContact O-OG1 3.43Å
263E89.4Confident87Confident111 Ų11181.4 Ų81.452%0.51940%0.395SS..Hα-helixtrans-63.4-42.7172.9-76.6-179.2-177.100110.9K259 A260 T266 R267K259-E263 WeakPolarHBondContact CE-OE1 3.25Å; K259-E263 HydrophobicContact CG-CG 4.45Å; K259-E263 IonicContact NZ-OE1 3.13Å; K259-E263 WeakPolarHBondContact O-CB 3.43Å; K259-E263 WeakPolarHBondContact O-CG 3.38Å; K259-E263 PolarHBondContact O-N 3.08Å; A260-E263 PolarHBondContact O-N 3.36Å; E263-T266 PolarHBondContact O-N 2.98Å; E263-R267 WeakPolarHBondContact O-CB 3.44Å; E263-R267 PolarHBondContact O-N 2.9Å
264E88.3Confident87.5Confident68 Ų6885.8 Ų85.832%0.31842%0.416SS..Hα-helixtrans-62.2-46.6175.5172.6158.1-130.300112.1L153 A260 D261 T266 R267 L268L153-E264 HydrophobicContact CD1-CG 4.2Å; A260-E264 WeakPolarHBondContact O-CB 3.28Å; A260-E264 PolarHBondContact O-N 3.1Å; D261-E264 PolarHBondContact O-N 3.3Å; E264-T266 VanDerWaalsContact C-N 3.32Å; E264-T266 PolarHBondContact O-N 3.2Å; E264-R267 WeakPolarHBondContact O-CB 3.3Å; E264-R267 PolarHBondContact O-N 3.34Å; E264-R267 IonicContact OE1-NH2 2.79Å; E264-R267 PolarHBondContact OE1-NH2 3.44Å; E264-L268 HydrophobicContact CG-CD1 3.86Å; E264-L268 HydrophobicContact CG-CG 4.35Å; E264-L268 WeakPolarHBondContact O-CB 3.49Å; E264-L268 WeakPolarHBondContact O-CG 3.33Å; E264-L268 PolarHBondContact O-N 3.16Å
265M86.6Confident87.7Confident35 Ų3588.6 Ų88.617%0.17243%0.427CS..Hα-helixtrans-57.4-46.7175.1179.565.785.400111.5L153 E154 N157 D261 L268 S269L153-M265 HydrophobicContact CB-CE 3.39Å; L153-M265 HydrophobicContact CB-SD 4.12Å; E154-M265 HydrophobicContact CG-CE 4.17Å; E154-M265 HydrophobicContact CG-SD 4.34Å; N157-M265 WeakPolarHBondContact ND2-CE 3.23Å; D261-M265 WeakPolarHBondContact O-CB 3.43Å; D261-M265 PolarHBondContact O-N 2.9Å; M265-L268 PolarHBondContact O-N 2.89Å; M265-S269 WeakPolarHBondContact O-CB 3.3Å; M265-S269 PolarHBondContact O-N 2.79Å
266T90.1Very high88.1Confident80 Ų8087.1 Ų87.149%0.49142%0.419SS..Hα-helixtrans-65.5-40.8-179.8-56.50000111.3K262 E263 E264 T270K262-T266 WeakPolarHBondContact O-CB 3.45Å; K262-T266 PolarHBondContact O-N 3.32Å; K262-T266 PolarHBondContact O-OG1 3.43Å; E263-T266 PolarHBondContact O-N 2.98Å; E264-T266 VanDerWaalsContact C-N 3.32Å; E264-T266 PolarHBondContact O-N 3.2Å; T266-T270 WeakPolarHBondContact O-CB 3.26Å; T266-T270 PolarHBondContact O-N 3.01Å; T266-T270 PolarHBondContact O-OG1 3.12Å
267R92.5Very high88.3Confident132 Ų13281.4 Ų81.450%0.49840%0.403SS..Hα-helixtrans-60.2-53.5175.1-178.8-177.369.5-149.20.5110.7E263 E264 S269 T270 D271E263-R267 WeakPolarHBondContact O-CB 3.44Å; E263-R267 PolarHBondContact O-N 2.9Å; E264-R267 WeakPolarHBondContact O-CB 3.3Å; E264-R267 PolarHBondContact O-N 3.34Å; E264-R267 IonicContact OE1-NH2 2.79Å; E264-R267 PolarHBondContact OE1-NH2 3.44Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-S269 PolarHBondContact O-N 3.43Å; R267-T270 WeakPolarHBondContact O-CB 3.49Å; R267-T270 PolarHBondContact O-N 3.01Å; R267-T270 VanDerWaalsContact O-N 3.16Å; R267-D271 WeakPolarHBondContact O-CB 3.2Å; R267-D271 VanDerWaalsContact O-CG 3.26Å; R267-D271 PolarHBondContact O-N 3.42Å
268L90.2Very high88.7Confident20 Ų2079.4 Ų79.411%0.10540%0.4CS..Hα-helixtrans-61.4-40.6179.8-71.6171.5000112.3L146 L150 L153 E264 M265 T270 D271 K272L146-L268 HydrophobicContact CG-CD2 4.47Å; L150-L268 HydrophobicContact CD1-CB 4.33Å; L153-L268 HydrophobicContact CD1-CD1 3.4Å; L153-L268 VanDerWaalsContact CD1-CD1 3.4Å; E264-L268 HydrophobicContact CG-CD1 3.86Å; E264-L268 HydrophobicContact CG-CG 4.35Å; E264-L268 WeakPolarHBondContact O-CB 3.49Å; E264-L268 WeakPolarHBondContact O-CG 3.33Å; E264-L268 PolarHBondContact O-N 3.16Å; M265-L268 PolarHBondContact O-N 2.89Å; L268-T270 VanDerWaalsContact C-N 3.35Å; L268-T270 PolarHBondContact O-N 3.31Å; L268-D271 PolarHBondContact O-N 3.44Å; L268-K272 WeakPolarHBondContact O-CB 3.39Å; L268-K272 PolarHBondContact O-N 3.08Å
269S89Confident89.1Confident42 Ų4278.1 Ų78.129%0.29439%0.394SS..Hα-helixtrans-64.1-40.7175.9-173.40000112.1L150 M265 R267 K273L150-S269 VanDerWaalsContact CD1-CA 3.47Å; M265-S269 WeakPolarHBondContact O-CB 3.3Å; M265-S269 PolarHBondContact O-N 2.79Å; R267-S269 VanDerWaalsContact C-N 3.34Å; R267-S269 PolarHBondContact O-N 3.43Å; S269-K273 WeakPolarHBondContact O-CG 3.31Å; S269-K273 PolarHBondContact O-N 2.64Å
270T91.9Very high89.3Confident57 Ų5772.7 Ų72.735%0.3537%0.372SS..Hα-helixtrans-66.2-44.4175.9-59.90000111.3T266 R267 L268 K272 K273 K274T266-T270 WeakPolarHBondContact O-CB 3.26Å; T266-T270 PolarHBondContact O-N 3.01Å; T266-T270 PolarHBondContact O-OG1 3.12Å; R267-T270 WeakPolarHBondContact O-CB 3.49Å; R267-T270 PolarHBondContact O-N 3.01Å; R267-T270 VanDerWaalsContact O-N 3.16Å; L268-T270 VanDerWaalsContact C-N 3.35Å; L268-T270 PolarHBondContact O-N 3.31Å; T270-K272 VanDerWaalsContact C-N 3.34Å; T270-K272 PolarHBondContact O-N 3.4Å; T270-K273 PolarHBondContact O-N 2.96Å; T270-K274 HydrophobicContact CG2-CD 4.06Å; T270-K274 HydrophobicContact CG2-CG 4.39Å; T270-K274 WeakPolarHBondContact O-CB 3.44Å; T270-K274 WeakPolarHBondContact O-CG 3.18Å; T270-K274 PolarHBondContact O-N 3.4Å
271D91.1Very high89.4Confident54 Ų5479.4 Ų79.429%0.28939%0.387SS..Hα-helixtrans-66.1-37.2179.6-68.8-18.4000111.5L146 R267 L268 K273 K274 Q275L146-D271 HydrophobicContact CD1-CB 3.84Å; R267-D271 WeakPolarHBondContact O-CB 3.2Å; R267-D271 VanDerWaalsContact O-CG 3.26Å; R267-D271 PolarHBondContact O-N 3.42Å; L268-D271 PolarHBondContact O-N 3.44Å; D271-K273 PolarHBondContact O-N 3.49Å; D271-K274 PolarHBondContact O-N 2.95Å; D271-Q275 WeakPolarHBondContact O-CB 3.5Å; D271-Q275 VanDerWaalsContact O-CG 3.3Å; D271-Q275 WeakPolarHBondContact O-CG 3.37Å; D271-Q275 PolarHBondContact O-N 2.93Å
272K89.4Confident89.9Confident61 Ų6177.5 Ų77.527%0.26537%0.373SS..Hα-helixtrans-55.4-52.1170.7-169.2179.3171-174.90111Y143 L146 L150 L268 T270 K274 Q275 F276Y143-K272 HydrophobicContact CE2-CG 4.18Å; L146-K272 VanDerWaalsContact CD2-CA 3.46Å; L146-K272 HydrophobicContact CD2-CB 3.35Å; L146-K272 HydrophobicContact CD2-CG 3.88Å; L150-K272 HydrophobicContact CD1-CD 4.21Å; L268-K272 WeakPolarHBondContact O-CB 3.39Å; L268-K272 PolarHBondContact O-N 3.08Å; T270-K272 VanDerWaalsContact C-N 3.34Å; T270-K272 PolarHBondContact O-N 3.4Å; K272-K274 PolarHBondContact O-N 3.34Å; K272-Q275 PolarHBondContact O-N 3.33Å; K272-F276 WeakPolarHBondContact O-CB 3.42Å; K272-F276 PolarHBondContact O-N 2.9Å
273K88.8Confident90.2Very high154 Ų15471.2 Ų71.267%0.6735%0.346SS*.Hα-helixtrans-63.8-40.7-179.4-72.2177.9-178.6177.50111.8S269 T270 D271S269-K273 WeakPolarHBondContact O-CG 3.31Å; S269-K273 PolarHBondContact O-N 2.64Å; T270-K273 PolarHBondContact O-N 2.96Å; D271-K273 PolarHBondContact O-N 3.49Å
274K91.3Very high90.2Very high136 Ų13669.7 Ų69.759%0.59134%0.338SS*.Hα-helixtrans-64.3-40.4177-76.5176.2178.51710112.4T270 D271 K272 P278T270-K274 HydrophobicContact CG2-CD 4.06Å; T270-K274 HydrophobicContact CG2-CG 4.39Å; T270-K274 WeakPolarHBondContact O-CB 3.44Å; T270-K274 WeakPolarHBondContact O-CG 3.18Å; T270-K274 PolarHBondContact O-N 3.4Å; D271-K274 PolarHBondContact O-N 2.95Å; K272-K274 PolarHBondContact O-N 3.34Å; K274-P278 WeakPolarHBondContact O-CD 3.18Å; K274-P278 WeakPolarHBondContact O-CG 3.37Å
275Q88.4Confident90.4Very high108 Ų10870.1 Ų70.151%0.50535%0.345SS..Hα-helixtrans-75.8-32.1179.7-71.4-70.41.900112.8Y143 D271 K272 G277 P278 L279Y143-Q275 HydrophobicContact CD2-CB 4.29Å; D271-Q275 WeakPolarHBondContact O-CB 3.5Å; D271-Q275 VanDerWaalsContact O-CG 3.3Å; D271-Q275 WeakPolarHBondContact O-CG 3.37Å; D271-Q275 PolarHBondContact O-N 2.93Å; K272-Q275 PolarHBondContact O-N 3.33Å; Q275-G277 PolarHBondContact O-N 2.72Å; Q275-P278 WeakPolarHBondContact O-CD 3.49Å; Q275-L279 WeakPolarHBondContact O-CB 3.46Å; Q275-L279 PolarHBondContact O-N 3.07Å
276F89.6Confident90.7Very high70 Ų7069.3 Ų69.331%0.30734%0.342SS..Hα-helixtrans-57.2-50.5-176176.7-99.9000113.5V79 L80 Y143 K272 L279 V280V79-F276 HydrophobicContact CG1-CD2 3.86Å; V79-F276 HydrophobicContact CG1-CE2 3.56Å; V79-F276 WeakPolarHBondContact O-CE2 3.48Å; L80-F276 HydrophobicContact CD2-CE2 4.48Å; L80-F276 HydrophobicContact CD2-CZ 3.9Å; Y143-F276 HydrophobicContact CE2-CB 4.37Å; K272-F276 WeakPolarHBondContact O-CB 3.42Å; K272-F276 PolarHBondContact O-N 2.9Å; F276-L279 PolarHBondContact O-N 3.35Å; F276-V280 HydrophobicContact CD1-CG2 4.5Å; F276-V280 HydrophobicContact CD2-CG2 4.26Å; F276-V280 HydrophobicContact CE1-CG2 4.14Å; F276-V280 HydrophobicContact CE2-CG2 3.89Å; F276-V280 HydrophobicContact CZ-CG2 3.83Å; F276-V280 WeakPolarHBondContact O-CG2 3.45Å; F276-V280 PolarHBondContact O-N 2.87Å
277G89.5Confident90.8Very high40 Ų4065.6 Ų65.641%0.41232%0.318SS..Hα-helixtrans-60.4-54.9-177.400000113.6Q275 L279 V280 R281Q275-G277 PolarHBondContact O-N 2.72Å; G277-L279 VanDerWaalsContact C-N 3.3Å; G277-L279 PolarHBondContact O-N 3.29Å; G277-V280 PolarHBondContact O-N 3.41Å; G277-R281 PolarHBondContact O-N 2.81Å
278P92Very high90.7Very high73 Ų7360 Ų6047%0.47430%0.3SS..Hα-helixtrans-57.7-39.1173.8-26.235.5000113.4K274 Q275 R281 W282K274-P278 WeakPolarHBondContact O-CD 3.18Å; K274-P278 WeakPolarHBondContact O-CG 3.37Å; Q275-P278 WeakPolarHBondContact O-CD 3.49Å; P278-R281 PolarHBondContact O-N 3.01Å; P278-W282 VanDerWaalsContact O-CB 3.3Å; P278-W282 WeakPolarHBondContact O-CB 3.46Å; P278-W282 PolarHBondContact O-N 2.92Å
279L90.9Very high90.8Very high7 Ų761.7 Ų61.74%0.03731%0.307CS..Hα-helixtrans-61.8-49.5177.6179.862.8000111.3Y75 V79 R139 Y143 Q275 F276 G277 R281 W282 L283Y75-L279 HydrophobicContact CE1-CD1 4.5Å; Y75-L279 HydrophobicContact CE1-CD2 4.38Å; V79-L279 HydrophobicContact CG1-CD2 4.38Å; V79-L279 HydrophobicContact CG2-CD2 4.13Å; R139-L279 HydrophobicContact CB-CD1 4.02Å; Y143-L279 HydrophobicContact CD1-CD2 3.87Å; Y143-L279 HydrophobicContact CD2-CD2 3.78Å; Y143-L279 HydrophobicContact CE1-CD2 4.37Å; Y143-L279 HydrophobicContact CE2-CD2 4.31Å; Y143-L279 HydrophobicContact CG-CD2 3.54Å; Q275-L279 WeakPolarHBondContact O-CB 3.46Å; Q275-L279 PolarHBondContact O-N 3.07Å; F276-L279 PolarHBondContact O-N 3.35Å; G277-L279 VanDerWaalsContact C-N 3.3Å; G277-L279 PolarHBondContact O-N 3.29Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.26Å; L279-W282 PolarHBondContact O-N 2.91Å; L279-L283 HydrophobicContact CD1-CD1 4.37Å; L279-L283 HydrophobicContact CD1-CG 4.39Å; L279-L283 HydrophobicContact CG-CD1 4.09Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.35Å
280V90.1Very high91Very high18 Ų1859.7 Ų59.711%0.10929%0.293CS..Hα-helixtrans-60-43.8177.2164.40000111.3M76 V79 L80 F276 G277 W282 L283 K284M76-V280 HydrophobicContact CE-CB 4.45Å; M76-V280 HydrophobicContact CE-CG1 3.67Å; M76-V280 HydrophobicContact CE-CG2 4.46Å; V79-V280 HydrophobicContact CG1-CG2 3.93Å; L80-V280 HydrophobicContact CD2-CG2 4.49Å; F276-V280 HydrophobicContact CD1-CG2 4.5Å; F276-V280 HydrophobicContact CD2-CG2 4.26Å; F276-V280 HydrophobicContact CE1-CG2 4.14Å; F276-V280 HydrophobicContact CE2-CG2 3.89Å; F276-V280 HydrophobicContact CZ-CG2 3.83Å; F276-V280 WeakPolarHBondContact O-CG2 3.45Å; F276-V280 PolarHBondContact O-N 2.87Å; G277-V280 PolarHBondContact O-N 3.41Å; V280-W282 VanDerWaalsContact C-N 3.34Å; V280-W282 PolarHBondContact O-N 3.27Å; V280-L283 PolarHBondContact O-N 2.94Å; V280-K284 HydrophobicContact CG1-CD 4.48Å; V280-K284 WeakPolarHBondContact O-CG 3.48Å; V280-K284 PolarHBondContact O-N 3.32Å
281R90.3Very high90.9Very high191 Ų19157 Ų5772%0.72128%0.277SS*.Hα-helixtrans-62.8-42.4176.7-174176.9-178.6169.60.7111.7G277 P278 L279 K284 V285G277-R281 PolarHBondContact O-N 2.81Å; P278-R281 PolarHBondContact O-N 3.01Å; L279-R281 VanDerWaalsContact C-N 3.34Å; L279-R281 PolarHBondContact O-N 3.26Å; R281-K284 PolarHBondContact O-N 3.33Å; R281-V285 WeakPolarHBondContact O-CG2 3.4Å; R281-V285 PolarHBondContact O-N 2.89Å
282W93.6Very high90.9Very high38 Ų3855 Ų5514%0.14427%0.266CS..Hα-helixtrans-63-46176.8-174.290.1000110.9D135 L136 P278 L279 V280 K284 V285 N286D135-W282 HydrophobicContact CB-CH2 3.78Å; D135-W282 HydrophobicContact CB-CZ2 3.38Å; L136-W282 HydrophobicContact CB-CH2 4.11Å; L136-W282 HydrophobicContact CB-CZ3 4.21Å; L136-W282 HydrophobicContact CD1-CZ3 4.15Å; P278-W282 VanDerWaalsContact O-CB 3.3Å; P278-W282 WeakPolarHBondContact O-CB 3.46Å; P278-W282 PolarHBondContact O-N 2.92Å; L279-W282 PolarHBondContact O-N 2.91Å; V280-W282 VanDerWaalsContact C-N 3.34Å; V280-W282 PolarHBondContact O-N 3.27Å; W282-K284 PolarHBondContact O-N 3.21Å; W282-V285 PolarHBondContact O-N 3.36Å; W282-N286 HydrophobicContact CH2-CB 4.23Å; W282-N286 HydrophobicContact CZ2-CB 4.35Å; W282-N286 WeakPolarHBondContact CZ2-ND2 3.24Å; W282-N286 HydrophobicContact CZ3-CB 4.35Å; W282-N286 PolarHBondContact NE1-ND2 3.29Å; W282-N286 VanDerWaalsContact NE1-ND2 3.14Å; W282-N286 PolarHBondContact O-N 3.4Å; W282-N286 PolarHBondContact O-ND2 3.46Å
283L91.7Very high91.1Very high1 Ų152 Ų521%0.00525%0.253CS..Hα-helixtrans-58.9-44.4177.7-71.3169.7000112.1V72 Y75 M76 V79 L136 L279 V280 V285 N286 F287V72-L283 HydrophobicContact CG1-CD2 4.2Å; Y75-L283 HydrophobicContact CD1-CD1 3.92Å; Y75-L283 HydrophobicContact CD1-CD2 3.84Å; Y75-L283 HydrophobicContact CE1-CD1 4.17Å; Y75-L283 HydrophobicContact CE1-CD2 4.45Å; M76-L283 HydrophobicContact SD-CB 3.58Å; M76-L283 VanDerWaalsContact SD-CB 3.58Å; M76-L283 HydrophobicContact SD-CD1 3.76Å; M76-L283 HydrophobicContact SD-CG 4.31Å; V79-L283 HydrophobicContact CG2-CD1 4.26Å; L136-L283 HydrophobicContact CD1-CD2 3.56Å; L279-L283 HydrophobicContact CD1-CD1 4.37Å; L279-L283 HydrophobicContact CD1-CG 4.39Å; L279-L283 HydrophobicContact CG-CD1 4.09Å; L279-L283 VanDerWaalsContact O-CG 3.31Å; L279-L283 WeakPolarHBondContact O-CG 3.48Å; L279-L283 PolarHBondContact O-N 3.35Å; V280-L283 PolarHBondContact O-N 2.94Å; L283-V285 PolarHBondContact O-N 3.39Å; L283-N286 PolarHBondContact O-N 3.11Å; L283-F287 WeakPolarHBondContact O-CB 3.45Å; L283-F287 PolarHBondContact O-N 2.95Å
284K89.9Confident91.3Very high79 Ų7944.8 Ų44.834%0.34322%0.221SC..Hα-helixtrans-57.3-48.9176.2-70.8174.9-178.6-162.10112.9M76 N90 V280 R281 W282 S288M76-K284 HydrophobicContact CE-CG 4.24Å; N90-K284 HydrophobicContact CB-CG 4.31Å; N90-K284 WeakPolarHBondContact OD1-CE 3.46Å; N90-K284 PolarHBondContact OD1-NZ 3.05Å; V280-K284 HydrophobicContact CG1-CD 4.48Å; V280-K284 WeakPolarHBondContact O-CG 3.48Å; V280-K284 PolarHBondContact O-N 3.32Å; R281-K284 PolarHBondContact O-N 3.33Å; W282-K284 PolarHBondContact O-N 3.21Å; K284-S288 PolarHBondContact O-N 3.48Å; K284-S288 VanDerWaalsContact O-N 3.07Å
285V91.9Very high91.3Very high77 Ų7738.3 Ų38.347%0.46719%0.193SC..Hα-helixtrans-64.9-49.9-178.1173.70000110.2R281 W282 L283 F287 S288 E289R281-V285 WeakPolarHBondContact O-CG2 3.4Å; R281-V285 PolarHBondContact O-N 2.89Å; W282-V285 PolarHBondContact O-N 3.36Å; L283-V285 PolarHBondContact O-N 3.39Å; V285-F287 VanDerWaalsContact C-N 3.34Å; V285-F287 PolarHBondContact O-N 2.93Å; V285-S288 WeakPolarHBondContact O-CB 3.48Å; V285-S288 PolarHBondContact O-N 3.4Å; V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 2.66Å
286N92.3Very high91.4Very high18 Ų1833.1 Ų33.110%0.09617%0.169CC..Hα-helixtrans-71.2-30.7-176.6-69.4-81.5000112.6I132 W282 L283 E289 A290I132-N286 HydrophobicContact CG1-CB 4.41Å; I132-N286 HydrophobicContact CG2-CB 4.01Å; W282-N286 HydrophobicContact CH2-CB 4.23Å; W282-N286 HydrophobicContact CZ2-CB 4.35Å; W282-N286 WeakPolarHBondContact CZ2-ND2 3.24Å; W282-N286 HydrophobicContact CZ3-CB 4.35Å; W282-N286 PolarHBondContact NE1-ND2 3.29Å; W282-N286 VanDerWaalsContact NE1-ND2 3.14Å; W282-N286 PolarHBondContact O-N 3.4Å; W282-N286 PolarHBondContact O-ND2 3.46Å; L283-N286 PolarHBondContact O-N 3.11Å; N286-E289 PolarHBondContact O-N 3.46Å; N286-A290 VanDerWaalsContact O-CB 3.22Å; N286-A290 WeakPolarHBondContact O-CB 3.46Å; N286-A290 PolarHBondContact O-N 2.76Å
287F92.1Very high91.5Very high1 Ų129.8 Ų29.80%0.00415%0.154CC..Hα-helixtrans-61.2-49.7169.8175.7-100.5000111.2V69 V72 A73 L91 L98 L283 V285 E289 A290 F291 L378V69-F287 HydrophobicContact CG1-CD2 4.37Å; V69-F287 HydrophobicContact CG1-CE2 3.76Å; V72-F287 HydrophobicContact CB-CD2 4.42Å; V72-F287 HydrophobicContact CG1-CB 3.73Å; V72-F287 HydrophobicContact CG1-CD2 4.12Å; V72-F287 HydrophobicContact CG1-CG 4.42Å; A73-F287 HydrophobicContact CB-CD2 4.37Å; A73-F287 HydrophobicContact CB-CE2 3.94Å; L91-F287 HydrophobicContact CB-CD1 4.22Å; L91-F287 HydrophobicContact CB-CE1 3.59Å; L91-F287 HydrophobicContact CB-CZ 3.91Å; L91-F287 HydrophobicContact CD1-CZ 4.44Å; L91-F287 HydrophobicContact CD2-CD1 3.72Å; L91-F287 HydrophobicContact CD2-CD2 3.79Å; L91-F287 HydrophobicContact CD2-CE1 3.73Å; L91-F287 HydrophobicContact CD2-CE2 3.8Å; L91-F287 HydrophobicContact CD2-CG 3.75Å; L91-F287 HydrophobicContact CD2-CZ 3.77Å; L91-F287 HydrophobicContact CG-CE1 4.19Å; L91-F287 HydrophobicContact CG-CZ 4.23Å; L98-F287 HydrophobicContact CD1-CZ 4.12Å; L98-F287 HydrophobicContact CD2-CE1 3.94Å; L98-F287 HydrophobicContact CD2-CZ 4.19Å; L283-F287 WeakPolarHBondContact O-CB 3.45Å; L283-F287 PolarHBondContact O-N 2.95Å; V285-F287 VanDerWaalsContact C-N 3.34Å; V285-F287 PolarHBondContact O-N 2.93Å; F287-E289 VanDerWaalsContact C-N 3.31Å; F287-E289 PolarHBondContact O-N 3.35Å; F287-A290 PolarHBondContact O-N 3.38Å; F287-F291 WeakPolarHBondContact O-CB 3.3Å; F287-F291 PolarHBondContact O-N 3.08Å; F287-L378 HydrophobicContact CE2-CD1 3.65Å; F287-L378 HydrophobicContact CZ-CD1 3.4Å; F287-L378 VanDerWaalsContact CZ-CD1 3.4Å
288S91.6Very high91.5Very high16 Ų1628 Ų2811%0.11214%0.135CC..Hα-helixtrans-57.1-46.4175.9177.20000111L92 N94 K284 V285 F291 I292L92-S288 WeakPolarHBondContact O-CB 3.4Å; N94-S288 PolarHBondContact N-OG 3.18Å; K284-S288 PolarHBondContact O-N 3.48Å; K284-S288 VanDerWaalsContact O-N 3.07Å; V285-S288 WeakPolarHBondContact O-CB 3.48Å; V285-S288 PolarHBondContact O-N 3.4Å; S288-F291 PolarHBondContact O-N 3.14Å; S288-I292 WeakPolarHBondContact O-CB 3.28Å; S288-I292 WeakPolarHBondContact O-CD1 3.38Å; S288-I292 WeakPolarHBondContact O-CG1 3.42Å; S288-I292 PolarHBondContact O-N 2.85Å
289E91.1Very high91.4Very high55 Ų5524.6 Ų24.626%0.25711%0.113SC..Hα-helixtrans-66.1-43.4-179.7-67.3-152.4146.200113.1K111 Q128 I132 V285 N286 F287 F291 I292 A293K111-E289 IonicContact NZ-OE1 2.76Å; K111-E289 PolarHBondContact NZ-OE1 3.1Å; Q128-E289 PolarHBondContact NE2-OE2 2.94Å; I132-E289 HydrophobicContact CD1-CB 4.3Å; V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 2.66Å; N286-E289 PolarHBondContact O-N 3.46Å; F287-E289 VanDerWaalsContact C-N 3.31Å; F287-E289 PolarHBondContact O-N 3.35Å; E289-F291 VanDerWaalsContact C-N 3.34Å; E289-F291 PolarHBondContact O-N 2.84Å; E289-I292 PolarHBondContact O-N 2.77Å; E289-A293 WeakPolarHBondContact O-CB 3.32Å; E289-A293 PolarHBondContact O-N 3.08Å
290A92.8Very high91.3Very high0 Ų024.3 Ų24.30%011%0.112CC..Hα-helixtrans-64.3-39.5177.300000111.5V69 I132 N286 F287 A293 W294V69-A290 HydrophobicContact CG2-CB 3.69Å; I132-A290 HydrophobicContact CD1-CB 4.24Å; N286-A290 VanDerWaalsContact O-CB 3.22Å; N286-A290 WeakPolarHBondContact O-CB 3.46Å; N286-A290 PolarHBondContact O-N 2.76Å; F287-A290 PolarHBondContact O-N 3.38Å; A290-A293 PolarHBondContact O-N 3.12Å; A290-W294 WeakPolarHBondContact O-CB 3.32Å; A290-W294 PolarHBondContact O-N 3.45Å
291F91.4Very high91.2Very high0 Ų025 Ų250%011%0.112CC..Hα-helixtrans-67-43.6176.3-171.8-93.3000111.8V69 A93 L98 Y101 V102 F287 S288 E289 A293 W294 I295 L378V69-F291 HydrophobicContact CG1-CD2 4.2Å; A93-F291 HydrophobicContact CB-CD1 3.64Å; A93-F291 HydrophobicContact CB-CE1 4.19Å; A93-F291 HydrophobicContact CB-CG 4.47Å; L98-F291 HydrophobicContact CB-CE1 4.3Å; L98-F291 HydrophobicContact CB-CE2 4.42Å; L98-F291 HydrophobicContact CB-CZ 3.92Å; L98-F291 HydrophobicContact CD1-CE2 4.22Å; L98-F291 HydrophobicContact CD2-CD1 3.79Å; L98-F291 HydrophobicContact CD2-CD2 3.98Å; L98-F291 HydrophobicContact CD2-CE1 3.75Å; L98-F291 HydrophobicContact CD2-CE2 3.96Å; L98-F291 HydrophobicContact CD2-CG 3.89Å; L98-F291 HydrophobicContact CD2-CZ 3.85Å; L98-F291 HydrophobicContact CG-CE2 4.43Å; L98-F291 HydrophobicContact CG-CZ 4.32Å; Y101-F291 HydrophobicContact CD1-CD1 4.17Å; Y101-F291 AromaticContact CD1-CE1 3.79Å; Y101-F291 HydrophobicContact CD1-CE1 3.79Å; Y101-F291 HydrophobicContact CE1-CD1 4.45Å; Y101-F291 HydrophobicContact CE1-CE1 4.38Å; V102-F291 HydrophobicContact CG2-CE1 3.89Å; V102-F291 HydrophobicContact CG2-CZ 3.75Å; F287-F291 WeakPolarHBondContact O-CB 3.3Å; F287-F291 PolarHBondContact O-N 3.08Å; S288-F291 PolarHBondContact O-N 3.14Å; E289-F291 VanDerWaalsContact C-N 3.34Å; E289-F291 PolarHBondContact O-N 2.84Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 2.82Å; F291-W294 AromaticContact CD2-CE3 3.94Å; F291-W294 HydrophobicContact CD2-CE3 3.94Å; F291-W294 HydrophobicContact CD2-CZ3 4.35Å; F291-W294 AromaticContact CE2-CE3 3.83Å; F291-W294 HydrophobicContact CE2-CE3 3.83Å; F291-W294 AromaticContact CE2-CZ3 3.88Å; F291-W294 HydrophobicContact CE2-CZ3 3.88Å; F291-W294 WeakPolarHBondContact O-CB 3.42Å; F291-W294 PolarHBondContact O-N 3.35Å; F291-I295 HydrophobicContact CD1-CG1 4.2Å; F291-I295 HydrophobicContact CE1-CD1 4.23Å; F291-I295 HydrophobicContact CE1-CG1 3.83Å; F291-I295 HydrophobicContact CZ-CD1 4.1Å; F291-I295 HydrophobicContact CZ-CG1 4.21Å; F291-I295 WeakPolarHBondContact O-CG1 3.16Å; F291-I295 PolarHBondContact O-N 3.11Å; F291-I295 VanDerWaalsContact O-N 3.08Å; F291-L378 HydrophobicContact CD2-CD1 4.13Å; F291-L378 HydrophobicContact CE2-CD1 4.23Å
292I91.3Very high91.1Very high11 Ų1116 Ų166%0.0568%0.078CC..Hα-helixtrans-58.1-48.2174.3-69.8164.8000109.8N94 Y101 S288 E289 W294 I295 H296N94-I292 HydrophobicContact CB-CD1 4.33Å; Y101-I292 HydrophobicContact CE1-CG1 4.41Å; Y101-I292 HydrophobicContact CE2-CG1 4.08Å; S288-I292 WeakPolarHBondContact O-CB 3.28Å; S288-I292 WeakPolarHBondContact O-CD1 3.38Å; S288-I292 WeakPolarHBondContact O-CG1 3.42Å; S288-I292 PolarHBondContact O-N 2.85Å; E289-I292 PolarHBondContact O-N 2.77Å; I292-W294 VanDerWaalsContact C-N 3.29Å; I292-W294 PolarHBondContact O-N 3.37Å; I292-I295 PolarHBondContact O-N 3.26Å; I292-H296 PolarHBondContact O-N 2.92Å; I292-H296 PolarHBondContact O-ND1 3.18Å
293A92.4Very high90.7Very high0 Ų014.2 Ų14.20%07%0.072CC..Hα-helixtrans-59.6-39.4177.700000112.2V125 V129 E289 A290 F291 H296 I297V125-A293 HydrophobicContact CG1-CB 3.96Å; V129-A293 HydrophobicContact CG2-CB 4.07Å; E289-A293 WeakPolarHBondContact O-CB 3.32Å; E289-A293 PolarHBondContact O-N 3.08Å; A290-A293 PolarHBondContact O-N 3.12Å; F291-A293 VanDerWaalsContact C-N 3.32Å; F291-A293 PolarHBondContact O-N 2.82Å; A293-H296 PolarHBondContact O-N 3.38Å; A293-I297 WeakPolarHBondContact O-CG1 3.07Å; A293-I297 PolarHBondContact O-N 2.96Å
294W92.7Very high90.3Very high1 Ų114.2 Ų14.20%0.0047%0.071CC..Hα-helixtrans-60.8-48.3176.7-170.937.3000112.4D62 V65 E66 V69 A290 F291 I292 H296 I297 K298 I374 L378D62-W294 VanDerWaalsContact OD1-CD1 3.22Å; D62-W294 PolarHBondContact OD1-NE1 2.76Å; V65-W294 HydrophobicContact CG1-CB 3.68Å; V65-W294 HydrophobicContact CG1-CG 4.17Å; E66-W294 HydrophobicContact CB-CZ2 3.92Å; E66-W294 HydrophobicContact CG-CH2 4.23Å; E66-W294 HydrophobicContact CG-CZ2 3.57Å; V69-W294 HydrophobicContact CG2-CB 4.4Å; A290-W294 WeakPolarHBondContact O-CB 3.32Å; A290-W294 PolarHBondContact O-N 3.45Å; F291-W294 AromaticContact CD2-CE3 3.94Å; F291-W294 HydrophobicContact CD2-CE3 3.94Å; F291-W294 HydrophobicContact CD2-CZ3 4.35Å; F291-W294 AromaticContact CE2-CE3 3.83Å; F291-W294 HydrophobicContact CE2-CE3 3.83Å; F291-W294 AromaticContact CE2-CZ3 3.88Å; F291-W294 HydrophobicContact CE2-CZ3 3.88Å; F291-W294 WeakPolarHBondContact O-CB 3.42Å; F291-W294 PolarHBondContact O-N 3.35Å; I292-W294 VanDerWaalsContact C-N 3.29Å; I292-W294 PolarHBondContact O-N 3.37Å; W294-H296 VanDerWaalsContact C-N 3.3Å; W294-H296 PolarHBondContact O-N 2.84Å; W294-I297 PolarHBondContact O-N 2.83Å; W294-K298 VanDerWaalsContact NE1-CE 3.32Å; W294-K298 WeakPolarHBondContact O-CG 3.28Å; W294-K298 PolarHBondContact O-N 2.96Å; W294-I374 HydrophobicContact CH2-CG2 4.21Å; W294-I374 HydrophobicContact CZ3-CG2 4.24Å; W294-L378 HydrophobicContact CZ3-CD2 4.36Å
295I91.7Very high89.9Confident0 Ų012.7 Ų12.70%07%0.066CC..Hα-helixtrans-64.7-35.9178.1-57.8-56.2000111.4F38 Y101 V102 F105 F291 I292 K298 A299 I374F38-I295 HydrophobicContact CE2-CG2 4.1Å; F38-I295 HydrophobicContact CZ-CG2 4.04Å; Y101-I295 HydrophobicContact CE1-CB 4.31Å; Y101-I295 HydrophobicContact CE1-CG1 4.12Å; Y101-I295 HydrophobicContact CE1-CG2 4.47Å; V102-I295 HydrophobicContact CG2-CD1 3.81Å; V102-I295 HydrophobicContact CG2-CG1 4.22Å; F105-I295 HydrophobicContact CD2-CB 4.43Å; F105-I295 HydrophobicContact CD2-CG2 3.4Å; F105-I295 HydrophobicContact CE2-CB 4.36Å; F105-I295 HydrophobicContact CE2-CG2 3.56Å; F105-I295 HydrophobicContact CG-CG2 4.1Å; F105-I295 HydrophobicContact CZ-CG2 4.37Å; F291-I295 HydrophobicContact CD1-CG1 4.2Å; F291-I295 HydrophobicContact CE1-CD1 4.23Å; F291-I295 HydrophobicContact CE1-CG1 3.83Å; F291-I295 HydrophobicContact CZ-CD1 4.1Å; F291-I295 HydrophobicContact CZ-CG1 4.21Å; F291-I295 WeakPolarHBondContact O-CG1 3.16Å; F291-I295 PolarHBondContact O-N 3.11Å; F291-I295 VanDerWaalsContact O-N 3.08Å; I292-I295 PolarHBondContact O-N 3.26Å; I295-K298 PolarHBondContact O-N 3.24Å; I295-A299 WeakPolarHBondContact O-CB 3.39Å; I295-A299 PolarHBondContact O-N 3.03Å; I295-I374 HydrophobicContact CD1-CD1 4.3Å; I295-I374 HydrophobicContact CD1-CG2 4.18Å
296H90.9Very high89.2Confident0 Ų09 Ų90%04%0.043CC..Hα-helixtrans-66.3-38.2174.3-7683.6000112.6F105 W107 D108 Y112 I292 A293 W294 A299 L300F105-H296 AromaticContact CE2-CE1 3.73Å; F105-H296 AromaticContact CE2-ND1 3.98Å; F105-H296 AromaticContact CE2-NE2 3.92Å; F105-H296 AromaticContact CZ-NE2 3.92Å; W107-H296 AromaticContact CD2-CD2 3.83Å; W107-H296 AromaticContact CE3-CD2 3.71Å; W107-H296 AromaticContact CZ3-CD2 3.85Å; D108-H296 WeakPolarHBondContact CB-NE2 3.14Å; D108-H296 PolarHBondContact N-NE2 2.94Å; Y112-H296 HydrophobicContact CD2-CB 4.17Å; Y112-H296 AromaticContact CD2-CD2 3.29Å; Y112-H296 WeakPolarHBondContact CD2-CD2 3.29Å; Y112-H296 AromaticContact CD2-CG 3.61Å; Y112-H296 AromaticContact CD2-NE2 3.66Å; Y112-H296 HydrophobicContact CE2-CB 3.93Å; Y112-H296 AromaticContact CE2-CD2 3.67Å; Y112-H296 AromaticContact CE2-CE1 3.95Å; Y112-H296 AromaticContact CE2-CG 3.48Å; Y112-H296 VanDerWaalsContact CE2-CG 3.48Å; Y112-H296 AromaticContact CE2-ND1 3.68Å; Y112-H296 AromaticContact CE2-NE2 3.97Å; I292-H296 PolarHBondContact O-N 2.92Å; I292-H296 PolarHBondContact O-ND1 3.18Å; A293-H296 PolarHBondContact O-N 3.38Å; W294-H296 VanDerWaalsContact C-N 3.3Å; W294-H296 PolarHBondContact O-N 2.84Å; H296-A299 WeakPolarHBondContact O-CB 3.47Å; H296-A299 PolarHBondContact O-N 2.88Å; H296-L300 WeakPolarHBondContact O-CG 3.46Å; H296-L300 PolarHBondContact O-N 2.85Å
297I91.6Very high88.6Confident0 Ų08.6 Ų8.60%04%0.041CC..Hα-helixtrans-64.2-41.9172.9-72.1-70.4000111.1L58 L61 D62 V125 A293 W294 A299 L300 R301L58-I297 HydrophobicContact CD2-CD1 3.86Å; L61-I297 HydrophobicContact CD2-CD1 3.42Å; L61-I297 VanDerWaalsContact CD2-CD1 3.42Å; L61-I297 HydrophobicContact CD2-CG1 4.35Å; L61-I297 HydrophobicContact CG-CD1 3.88Å; L61-I297 HydrophobicContact CG-CG1 4.36Å; D62-I297 HydrophobicContact CB-CG2 3.7Å; V125-I297 HydrophobicContact CB-CD1 4.03Å; V125-I297 HydrophobicContact CB-CG1 4.3Å; V125-I297 HydrophobicContact CG1-CD1 3.8Å; V125-I297 HydrophobicContact CG1-CG1 3.57Å; V125-I297 HydrophobicContact CG2-CD1 4.26Å; V125-I297 HydrophobicContact CG2-CG1 4.44Å; A293-I297 WeakPolarHBondContact O-CG1 3.07Å; A293-I297 PolarHBondContact O-N 2.96Å; W294-I297 PolarHBondContact O-N 2.83Å; I297-A299 VanDerWaalsContact C-N 3.31Å; I297-A299 PolarHBondContact O-N 3.06Å; I297-L300 HydrophobicContact CD1-CD1 4.18Å; I297-L300 WeakPolarHBondContact O-CB 3.33Å; I297-L300 PolarHBondContact O-N 3.21Å; I297-R301 HydrophobicContact CG2-CG 4.44Å; I297-R301 WeakPolarHBondContact O-CB 3.5Å; I297-R301 WeakPolarHBondContact O-CG 3.27Å; I297-R301 PolarHBondContact O-N 3.46Å
298K90.1Very high87.6Confident3 Ų311.1 Ų11.11%0.0136%0.055CC..Hα-helixtrans-62.9-38.9174.6-67.5-164.1-173.7-57.90112.3L6 D62 W294 I295 R301 V302 I374L6-K298 HydrophobicContact CD2-CB 4.37Å; D62-K298 VanDerWaalsContact CG-NZ 3.3Å; D62-K298 IonicContact OD1-NZ 2.78Å; D62-K298 PolarHBondContact OD1-NZ 2.98Å; D62-K298 IonicContact OD2-NZ 3.35Å; D62-K298 PolarHBondContact OD2-NZ 3.43Å; W294-K298 VanDerWaalsContact NE1-CE 3.32Å; W294-K298 WeakPolarHBondContact O-CG 3.28Å; W294-K298 PolarHBondContact O-N 2.96Å; I295-K298 PolarHBondContact O-N 3.24Å; K298-R301 PolarHBondContact O-N 3.42Å; K298-V302 VanDerWaalsContact O-CG2 3.28Å; K298-V302 WeakPolarHBondContact O-CG2 3.21Å; K298-V302 PolarHBondContact O-N 3.01Å; K298-I374 HydrophobicContact CD-CD1 3.68Å; K298-I374 HydrophobicContact CD-CG1 3.54Å
299A89.1Confident86Confident0 Ų012.4 Ų12.40%06%0.063CC..Hα-helixtrans-61.5-43.6172.300000112F38 I40 F105 W107 I295 H296 I297 V302 F303F38-A299 HydrophobicContact CE1-CB 3.57Å; F38-A299 HydrophobicContact CZ-CB 3.88Å; I40-A299 HydrophobicContact CD1-CB 4.43Å; F105-A299 HydrophobicContact CE1-CB 4.31Å; F105-A299 HydrophobicContact CZ-CB 4.24Å; W107-A299 HydrophobicContact CE3-CB 4.24Å; W107-A299 HydrophobicContact CZ3-CB 3.82Å; I295-A299 WeakPolarHBondContact O-CB 3.39Å; I295-A299 PolarHBondContact O-N 3.03Å; H296-A299 WeakPolarHBondContact O-CB 3.47Å; H296-A299 PolarHBondContact O-N 2.88Å; I297-A299 VanDerWaalsContact C-N 3.31Å; I297-A299 PolarHBondContact O-N 3.06Å; A299-V302 PolarHBondContact O-N 3.04Å; A299-F303 WeakPolarHBondContact O-CB 3.31Å; A299-F303 PolarHBondContact O-N 3.44Å
300L88.8Confident84.3Confident2 Ų214.4 Ų14.41%0.017%0.068CC..Hα-helixtrans-62.5-42.9175.1-73.6173.9000112.3L43 L58 W107 L118 I121 H296 I297 F303 V304L43-L300 HydrophobicContact CD1-CD2 3.55Å; L58-L300 HydrophobicContact CD1-CB 4.1Å; L58-L300 HydrophobicContact CD2-CB 4.22Å; L58-L300 HydrophobicContact CD2-CD1 4.33Å; W107-L300 HydrophobicContact CH2-CD1 4.39Å; W107-L300 HydrophobicContact CH2-CD2 3.65Å; W107-L300 HydrophobicContact CH2-CG 3.78Å; W107-L300 HydrophobicContact CZ3-CD2 4.36Å; W107-L300 HydrophobicContact CZ3-CG 4.31Å; L118-L300 HydrophobicContact CD2-CD2 3.68Å; I121-L300 HydrophobicContact CG2-CD1 3.86Å; H296-L300 WeakPolarHBondContact O-CG 3.46Å; H296-L300 PolarHBondContact O-N 2.85Å; I297-L300 HydrophobicContact CD1-CD1 4.18Å; I297-L300 WeakPolarHBondContact O-CB 3.33Å; I297-L300 PolarHBondContact O-N 3.21Å; L300-F303 PolarHBondContact O-N 3.05Å; L300-V304 WeakPolarHBondContact O-CB 3.45Å; L300-V304 WeakPolarHBondContact O-CG2 3.38Å; L300-V304 PolarHBondContact O-N 3.22Å
301R88.5Confident82.5Confident33 Ų3316.7 Ų16.713%0.1258%0.078CC..Hα-helixtrans-60.2-49.3176.3-77.6-171.273171.612.2111.6L58 A59 D62 I297 K298 F303 V304 E305 Y372L58-R301 HydrophobicContact CB-CG 3.65Å; L58-R301 HydrophobicContact CD1-CG 4.36Å; A59-R301 VanDerWaalsContact CA-CZ 3.49Å; A59-R301 VanDerWaalsContact CB-NH2 3.34Å; D62-R301 IonicContact OD2-CZ 3.98Å; D62-R301 IonicContact OD2-NH1 3.06Å; D62-R301 PolarHBondContact OD2-NH1 2.86Å; I297-R301 HydrophobicContact CG2-CG 4.44Å; I297-R301 WeakPolarHBondContact O-CB 3.5Å; I297-R301 WeakPolarHBondContact O-CG 3.27Å; I297-R301 PolarHBondContact O-N 3.46Å; K298-R301 PolarHBondContact O-N 3.42Å; R301-F303 VanDerWaalsContact C-N 3.29Å; R301-F303 PolarHBondContact O-N 3.41Å; R301-V304 PolarHBondContact O-N 2.98Å; R301-E305 WeakPolarHBondContact O-CB 3.09Å; R301-E305 PolarHBondContact O-N 2.89Å; R301-Y372 HydrophobicContact CB-CE1 4.48Å; R301-Y372 HydrophobicContact CB-CE2 4.02Å; R301-Y372 PolarHBondContact NE-OH 3.42Å; R301-Y372 PolarHBondContact NH2-OH 3.34Å
302V87.8Confident80.7Confident0 Ų018.6 Ų18.60%010%0.097CC..Hα-helixtrans-59.3-41.5175.11730000111.4L6 I40 K298 A299 S306 A319 V370 Y372L6-V302 HydrophobicContact CD2-CG2 3.53Å; L6-V302 HydrophobicContact CG-CG2 3.74Å; I40-V302 HydrophobicContact CD1-CB 4.13Å; I40-V302 HydrophobicContact CD1-CG1 3.87Å; K298-V302 VanDerWaalsContact O-CG2 3.28Å; K298-V302 WeakPolarHBondContact O-CG2 3.21Å; K298-V302 PolarHBondContact O-N 3.01Å; A299-V302 PolarHBondContact O-N 3.04Å; V302-S306 WeakPolarHBondContact O-CB 3.31Å; V302-S306 PolarHBondContact O-N 3.41Å; V302-S306 PolarHBondContact O-OG 2.75Å; V302-A319 HydrophobicContact CG1-CB 4.16Å; V302-V370 HydrophobicContact CG1-CG1 4.46Å; V302-V370 HydrophobicContact CG2-CG1 4.5Å; V302-Y372 HydrophobicContact CG2-CD2 3.47Å; V302-Y372 VanDerWaalsContact CG2-CD2 3.47Å; V302-Y372 HydrophobicContact CG2-CE2 3.96Å; V302-Y372 HydrophobicContact CG2-CG 4.44Å
303F85.4Confident79.1Confident2 Ų224.4 Ų24.41%0.00913%0.128CC..Hα-helixtrans-63.5-52.7177.7-178.4-88.2000111.5I40 L43 V45 L118 A299 L300 R301 E305 S306 V307 V315 F317I40-F303 HydrophobicContact CG2-CB 4.21Å; I40-F303 HydrophobicContact CG2-CD2 3.87Å; I40-F303 HydrophobicContact CG2-CG 4.45Å; L43-F303 HydrophobicContact CB-CD1 4.35Å; L43-F303 HydrophobicContact CB-CE1 3.89Å; L43-F303 HydrophobicContact CB-CE2 4.1Å; L43-F303 HydrophobicContact CB-CZ 3.77Å; L43-F303 HydrophobicContact CD1-CB 4.38Å; L43-F303 HydrophobicContact CD1-CD1 4.14Å; L43-F303 HydrophobicContact CD1-CD2 4.14Å; L43-F303 HydrophobicContact CD1-CG 3.96Å; L43-F303 HydrophobicContact CG-CE2 4.49Å; V45-F303 HydrophobicContact CG2-CE1 3.95Å; V45-F303 HydrophobicContact CG2-CZ 3.81Å; L118-F303 HydrophobicContact CD1-CD1 4.3Å; L118-F303 HydrophobicContact CD1-CE1 4.14Å; L118-F303 HydrophobicContact CD2-CD1 4.26Å; L118-F303 HydrophobicContact CD2-CE1 4.34Å; A299-F303 WeakPolarHBondContact O-CB 3.31Å; A299-F303 PolarHBondContact O-N 3.44Å; L300-F303 PolarHBondContact O-N 3.05Å; R301-F303 VanDerWaalsContact C-N 3.29Å; R301-F303 PolarHBondContact O-N 3.41Å; F303-E305 PolarHBondContact O-N 3.18Å; F303-S306 PolarHBondContact O-N 3.37Å; F303-V307 HydrophobicContact CD1-CG2 4.31Å; F303-V307 HydrophobicContact CE1-CG2 3.99Å; F303-V307 HydrophobicContact CZ-CG2 4.16Å; F303-V307 VanDerWaalsContact O-CG2 3.3Å; F303-V307 WeakPolarHBondContact O-CG2 3.35Å; F303-V307 PolarHBondContact O-N 3.42Å; F303-V315 HydrophobicContact CE2-CG1 4.04Å; F303-V315 HydrophobicContact CZ-CG1 4.47Å; F303-F317 HydrophobicContact CB-CZ 4.37Å; F303-F317 AromaticContact CD2-CE1 3.83Å; F303-F317 HydrophobicContact CD2-CE1 3.83Å; F303-F317 AromaticContact CD2-CZ 3.67Å; F303-F317 HydrophobicContact CD2-CZ 3.67Å; F303-F317 HydrophobicContact CE2-CE1 4.17Å; F303-F317 HydrophobicContact CE2-CZ 4.38Å; F303-F317 HydrophobicContact CG-CZ 4.36Å
304V83.9Confident77.7Confident0 Ų029.7 Ų29.70%016%0.162CC..Hα-helixtrans-61.5-45.6-179.1170.90000110.7L51 L54 L58 L118 L300 R301 V307 L308L51-V304 HydrophobicContact CB-CG1 4.4Å; L51-V304 HydrophobicContact CD2-CG1 4.42Å; L51-V304 HydrophobicContact CD2-CG2 4.3Å; L54-V304 HydrophobicContact CD2-CG2 3.98Å; L58-V304 HydrophobicContact CD1-CB 4.33Å; L58-V304 HydrophobicContact CD1-CG2 3.83Å; L118-V304 HydrophobicContact CD1-CG2 4.03Å; L300-V304 WeakPolarHBondContact O-CB 3.45Å; L300-V304 WeakPolarHBondContact O-CG2 3.38Å; L300-V304 PolarHBondContact O-N 3.22Å; R301-V304 PolarHBondContact O-N 2.98Å; V304-V307 PolarHBondContact O-N 3.17Å; V304-L308 HydrophobicContact CG1-CD1 3.65Å; V304-L308 HydrophobicContact CG1-CG 4.2Å; V304-L308 WeakPolarHBondContact O-CB 3.34Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.32Å; V304-L308 PolarHBondContact O-N 3.11Å
305E80.9Confident76.4Confident48 Ų4831.7 Ų31.722%0.22417%0.174CC..Hα-helixtrans-68.2-33.4175.4-76.8-170.9-174.600112.8R301 F303 V307 L308 S309 V370 Y372R301-E305 WeakPolarHBondContact O-CB 3.09Å; R301-E305 PolarHBondContact O-N 2.89Å; F303-E305 PolarHBondContact O-N 3.18Å; E305-V307 VanDerWaalsContact C-N 3.26Å; E305-V307 PolarHBondContact O-N 2.62Å; E305-L308 PolarHBondContact O-N 2.95Å; E305-S309 WeakPolarHBondContact O-CA 3.46Å; E305-S309 WeakPolarHBondContact O-CB 3.46Å; E305-S309 PolarHBondContact O-N 2.91Å; E305-V370 HydrophobicContact CB-CG1 4.07Å; E305-V370 HydrophobicContact CB-CG2 4.03Å; E305-V370 WeakPolarHBondContact OE2-CG1 3.43Å; E305-Y372 PolarHBondContact OE1-OH 2.94Å; E305-Y372 WeakPolarHBondContact OE2-CE2 3.45Å; E305-Y372 VanDerWaalsContact OE2-CZ 3.31Å; E305-Y372 PolarHBondContact OE2-OH 2.96Å
306S77.8Confident75.5Confident0 Ų034.5 Ų34.50%019%0.189CC..Hα-helixtrans-67.8-31.6174.7-59.80000111.5S8 V302 F303 Y311S8-S306 VanDerWaalsContact CB-OG 3.29Å; S8-S306 WeakPolarHBondContact CB-OG 3.48Å; S8-S306 PolarHBondContact OG-OG 3.21Å; V302-S306 WeakPolarHBondContact O-CB 3.31Å; V302-S306 PolarHBondContact O-N 3.41Å; V302-S306 PolarHBondContact O-OG 2.75Å; F303-S306 PolarHBondContact O-N 3.37Å; S306-Y311 WeakPolarHBondContact O-CD2 3.25Å
307V77.9Confident74.9Confident9 Ų935.8 Ų35.86%0.05520%0.195CC..Iπ-helixtrans-76.8-41.6175.6176.40000111.7V45 L51 F303 V304 E305 V315V45-V307 HydrophobicContact CG1-CG1 3.98Å; L51-V307 HydrophobicContact CD1-CB 4.36Å; L51-V307 HydrophobicContact CD1-CG1 3.56Å; F303-V307 HydrophobicContact CD1-CG2 4.31Å; F303-V307 HydrophobicContact CE1-CG2 3.99Å; F303-V307 HydrophobicContact CZ-CG2 4.16Å; F303-V307 VanDerWaalsContact O-CG2 3.3Å; F303-V307 WeakPolarHBondContact O-CG2 3.35Å; F303-V307 PolarHBondContact O-N 3.42Å; V304-V307 PolarHBondContact O-N 3.17Å; E305-V307 VanDerWaalsContact C-N 3.26Å; E305-V307 PolarHBondContact O-N 2.62Å; V307-V315 HydrophobicContact CG2-CG1 4.29Å; V307-V315 HydrophobicContact CG2-CG2 4.13Å
308L72.5Confident74.4Confident54 Ų5436.8 Ų36.828%0.28320%0.2SC..Iπ-helixtrans-75.4-47.5178.7-73.6176.7000112.6L51 V52 V304 E305 R310L51-L308 HydrophobicContact CB-CD1 4.21Å; L51-L308 HydrophobicContact CB-CD2 3.56Å; L51-L308 HydrophobicContact CB-CG 3.93Å; L51-L308 HydrophobicContact CD1-CD2 4.26Å; V52-L308 HydrophobicContact CG2-CD2 3.86Å; V304-L308 HydrophobicContact CG1-CD1 3.65Å; V304-L308 HydrophobicContact CG1-CG 4.2Å; V304-L308 WeakPolarHBondContact O-CB 3.34Å; V304-L308 VanDerWaalsContact O-CG 3.31Å; V304-L308 WeakPolarHBondContact O-CG 3.32Å; V304-L308 PolarHBondContact O-N 3.11Å; E305-L308 PolarHBondContact O-N 2.95Å; L308-R310 PolarHBondContact O-N 2.89Å
309S56.8Low74.1Confident42 Ų4236.8 Ų36.829%0.29420%0.2SC..Iπ-helixtrans-82.255.5-175.5-159.80000111.6E305E305-S309 WeakPolarHBondContact O-CA 3.46Å; E305-S309 WeakPolarHBondContact O-CB 3.46Å; E305-S309 PolarHBondContact O-N 2.91Å
310R56.2Low74Confident97 Ų9736.8 Ų36.837%0.36620%0.2SC..Iπ-helixtrans97.88.1148.9-45.3149.8-172-157.30.5119.2L308 L343 D344 A347 Y366L308-R310 PolarHBondContact O-N 2.89Å; R310-L343 PolarHBondContact NH1-O 2.98Å; R310-D344 IonicContact NH1-OD1 3.59Å; R310-A347 VanDerWaalsContact NH2-CB 3.29Å; R310-Y366 PolarHBondContact NH1-OH 2.76Å; R310-Y366 PolarHBondContact NH2-OH 3.44Å
311Y54.1Low73.8Confident49 Ų4936.7 Ų36.719%0.19220%0.199CC..Iπ-helixtrans-100.3-13.3177.3-51.5-43.3000115.4P10 S306 F317P10-Y311 HydrophobicContact CB-CD1 3.49Å; P10-Y311 VanDerWaalsContact CB-CD1 3.49Å; P10-Y311 HydrophobicContact CB-CE1 3.33Å; P10-Y311 HydrophobicContact CB-CE2 4.46Å; P10-Y311 HydrophobicContact CB-CG 4.16Å; P10-Y311 VanDerWaalsContact CD-OH 3.27Å; P10-Y311 WeakPolarHBondContact CD-OH 3.4Å; P10-Y311 HydrophobicContact CG-CD1 4.02Å; P10-Y311 HydrophobicContact CG-CE1 3.34Å; S306-Y311 WeakPolarHBondContact O-CD2 3.25Å; Y311-F317 HydrophobicContact CD2-CB 4.09Å; Y311-F317 HydrophobicContact CE2-CB 4.36Å
312G53.8Low73.7Confident40 Ų4035.1 Ų35.141%0.41219%0.194SC..  trans62.4-171179.900000113.2
313L57.5Low73.6Confident133 Ų13336.6 Ų36.670%0.69620%0.2SC*.SBendtrans-96.7137.6168.8-69170.4000108.5V315L313-V315 HydrophobicContact CD2-CG2 3.76Å
314P62.8Low73.4Confident110 Ų11036.7 Ų36.771%0.71420%0.201SC*.SBendcis-79.6150.6731.7-34.7000113.9N316P314-N316 PolarHBondContact O-N 2.91Å
315V66.6Low73.3Confident43 Ų4338.6 Ų38.626%0.26121%0.211SC..  trans-62.8101.1178.4-173.20000109.5V45 F303 V307 L313 F317V45-V315 HydrophobicContact CG2-CG2 4.15Å; F303-V315 HydrophobicContact CE2-CG1 4.04Å; F303-V315 HydrophobicContact CZ-CG1 4.47Å; V307-V315 HydrophobicContact CG2-CG1 4.29Å; V307-V315 HydrophobicContact CG2-CG2 4.13Å; L313-V315 HydrophobicContact CD2-CG2 3.76Å; V315-F317 HydrophobicContact CG1-CD1 3.46Å; V315-F317 VanDerWaalsContact CG1-CD1 3.46Å; V315-F317 HydrophobicContact CG1-CE1 3.3Å; V315-F317 HydrophobicContact CG1-CZ 4.49Å
316N72.4Confident73Confident59 Ų5944.4 Ų44.432%0.31624%0.236SC..  trans-132.977.6-177.8-178.718.3000109.9G11 C15 P314G11-N316 PolarHBondContact N-O 2.65Å; G11-N316 PolarHBondContact O-ND2 3.32Å; C15-N316 PolarHBondContact SG-OD1 3.22Å; P314-N316 PolarHBondContact O-N 2.91Å
317F77.7Confident72.9Confident27 Ų2754 Ų5412%0.11828%0.278CS..EExtended strand (participates in β ladder)trans-130.9155177.471.6-98.4000110.9S8 A9 I40 F303 Y311 V315 A319S8-F317 WeakPolarHBondContact OG-CD2 3.47Å; A9-F317 WeakPolarHBondContact O-CA 3.22Å; I40-F317 HydrophobicContact CD1-CE2 4.13Å; I40-F317 HydrophobicContact CD1-CZ 4.44Å; F303-F317 HydrophobicContact CB-CZ 4.37Å; F303-F317 AromaticContact CD2-CE1 3.83Å; F303-F317 HydrophobicContact CD2-CE1 3.83Å; F303-F317 AromaticContact CD2-CZ 3.67Å; F303-F317 HydrophobicContact CD2-CZ 3.67Å; F303-F317 HydrophobicContact CE2-CE1 4.17Å; F303-F317 HydrophobicContact CE2-CZ 4.38Å; F303-F317 HydrophobicContact CG-CZ 4.36Å; Y311-F317 HydrophobicContact CD2-CB 4.09Å; Y311-F317 HydrophobicContact CE2-CB 4.36Å; V315-F317 HydrophobicContact CG1-CD1 3.46Å; V315-F317 VanDerWaalsContact CG1-CD1 3.46Å; V315-F317 HydrophobicContact CG1-CE1 3.3Å; V315-F317 HydrophobicContact CG1-CZ 4.49Å; F317-A319 HydrophobicContact CD2-CB 4.45Å; F317-A319 HydrophobicContact CE2-CB 4.16Å
318Q81.8Confident73Confident22 Ų2256.2 Ų56.210%0.10329%0.289CS..EExtended strand (participates in β ladder)trans-116.4108.2173.9-179.662.966.200109.2A9 C15 W19 M320A9-Q318 PolarHBondContact N-O 2.94Å; A9-Q318 PolarHBondContact O-N 3.49Å; C15-Q318 HydrophobicContact CB-CB 4.06Å; W19-Q318 HydrophobicContact CB-CG 4.3Å; Q318-M320 HydrophobicContact CG-CE 4.19Å
319A84.8Confident73.3Confident2 Ų255.8 Ų55.82%0.01729%0.286CS..EExtended strand (participates in β ladder)trans-78.4141.8169.500000110.8I7 F38 I40 V302 F317I7-A319 WeakPolarHBondContact O-CA 3.48Å; F38-A319 HydrophobicContact CB-CB 4.13Å; F38-A319 HydrophobicContact CD1-CB 4.2Å; F38-A319 PolarHBondContact N-O 2.78Å; F38-A319 VanDerWaalsContact N-O 3.16Å; I40-A319 HydrophobicContact CD1-CB 3.75Å; I40-A319 HydrophobicContact CG1-CB 4.19Å; V302-A319 HydrophobicContact CG1-CB 4.16Å; F317-A319 HydrophobicContact CD2-CB 4.45Å; F317-A319 HydrophobicContact CE2-CB 4.16Å
320M85.3Confident74.5Confident0 Ų061.3 Ų61.30%031%0.305CS..EExtended strand (participates in β ladder)trans-148.2133.6-169.839176.86200109.6I7 W19 L22 Q318I7-M320 HydrophobicContact CB-CG 4.2Å; I7-M320 PolarHBondContact N-O 2.83Å; I7-M320 WeakPolarHBondContact O-CG 3.36Å; I7-M320 PolarHBondContact O-N 2.64Å; I7-M320 VanDerWaalsContact O-O 3.13Å; W19-M320 HydrophobicContact CE3-CB 4.1Å; W19-M320 HydrophobicContact CE3-CE 3.98Å; W19-M320 HydrophobicContact CZ3-CB 3.69Å; L22-M320 HydrophobicContact CB-CE 3.89Å; L22-M320 HydrophobicContact CB-SD 4.22Å; L22-M320 HydrophobicContact CD1-CE 4.2Å; L22-M320 HydrophobicContact CD1-SD 3.42Å; L22-M320 WeakPolarHBondContact CD1-SD 3.35Å; L22-M320 HydrophobicContact CD2-CE 3.66Å; L22-M320 HydrophobicContact CD2-CG 4.49Å; L22-M320 HydrophobicContact CD2-SD 3.28Å; L22-M320 WeakPolarHBondContact CD2-SD 3.32Å; L22-M320 HydrophobicContact CG-CE 4.09Å; L22-M320 HydrophobicContact CG-SD 3.76Å; Q318-M320 HydrophobicContact CG-CE 4.19Å
321L85.8Confident75.7Confident1 Ų161.3 Ų61.31%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-102.1114.8178.3-174.483.3000108.4F4 L6 N35 H36 V102 I374F4-L321 HydrophobicContact CB-CD1 3.74Å; F4-L321 HydrophobicContact CB-CG 4.21Å; F4-L321 HydrophobicContact CD1-CD1 4.23Å; F4-L321 HydrophobicContact CD1-CD2 3.63Å; F4-L321 HydrophobicContact CD1-CG 3.83Å; F4-L321 HydrophobicContact CE1-CD2 3.92Å; F4-L321 HydrophobicContact CG-CD1 4.25Å; F4-L321 HydrophobicContact CG-CD2 4.33Å; F4-L321 HydrophobicContact CG-CG 4.36Å; L6-L321 HydrophobicContact CB-CD1 4.39Å; L6-L321 HydrophobicContact CD1-CD1 4.34Å; N35-L321 CarbonylContact C-O 3.52Å; N35-L321 VanDerWaalsContact CA-O 3.31Å; N35-L321 WeakPolarHBondContact CA-O 3.49Å; H36-L321 HydrophobicContact CB-CB 4.35Å; H36-L321 HydrophobicContact CB-CD2 4.46Å; H36-L321 PolarHBondContact N-O 2.5Å; H36-L321 PolarHBondContact O-N 3.16Å; V102-L321 HydrophobicContact CG1-CD1 3.79Å; V102-L321 HydrophobicContact CG1-CD2 3.67Å; V102-L321 HydrophobicContact CG1-CG 4.38Å; L321-I374 HydrophobicContact CD1-CD1 4.34Å
322L85.4Confident77Confident0 Ų059 Ų590%030%0.298CS..EExtended strand (participates in β ladder)trans-101.6131.2174-59.4105.1000110F4 W5 I7 L22 T26 N35 P324 L332F4-L322 CarbonylContact C-O 3.27Å; F4-L322 WeakPolarHBondContact CA-O 3.29Å; W5-L322 HydrophobicContact CB-CB 4.43Å; W5-L322 PolarHBondContact N-O 3.31Å; W5-L322 PolarHBondContact O-N 2.97Å; I7-L322 HydrophobicContact CB-CD1 3.86Å; I7-L322 HydrophobicContact CD1-CD1 3.39Å; I7-L322 HydrophobicContact CG1-CD1 3.61Å; L22-L322 HydrophobicContact CD2-CD2 4.12Å; T26-L322 HydrophobicContact CG2-CD2 4.27Å; N35-L322 VanDerWaalsContact OD1-CD2 3.23Å; N35-L322 WeakPolarHBondContact OD1-CD2 3.49Å; N35-L322 WeakPolarHBondContact OD1-CG 3.41Å; L322-P324 VanDerWaalsContact O-CD 3.3Å; L322-P324 WeakPolarHBondContact O-CD 3.29Å; L322-L332 HydrophobicContact CD2-CD1 4.39Å
323Q85.3Confident78.3Confident31 Ų3159.7 Ų59.715%0.14529%0.289CS..EExtended strand (participates in β ladder)trans-102.498.5168.1-167-178.517.500107.9M1 F4 S33 T34M1-Q323 PolarHBondContact O-NE2 2.97Å; F4-Q323 HydrophobicContact CD1-CB 3.82Å; F4-Q323 HydrophobicContact CD1-CG 4Å; F4-Q323 HydrophobicContact CE1-CB 3.89Å; F4-Q323 HydrophobicContact CE1-CG 3.87Å; S33-Q323 WeakPolarHBondContact CA-O 3.27Å; S33-Q323 VanDerWaalsContact CB-O 3.3Å; S33-Q323 WeakPolarHBondContact CB-O 3.41Å; T34-Q323 PolarHBondContact N-O 2.95Å; T34-Q323 PolarHBondContact O-N 3.12Å
324P83.1Confident79.5Confident3 Ų358 Ų582%0.01928%0.277CS..EExtended strand (participates in β ladder)trans-69.6144-177.229.4-37.4000112.1W5 L322 M329 L332W5-P324 HydrophobicContact CD2-CB 4.45Å; W5-P324 HydrophobicContact CD2-CG 4.02Å; W5-P324 HydrophobicContact CG-CG 4.33Å; W5-P324 HydrophobicContact CH2-CB 4.35Å; W5-P324 HydrophobicContact CZ2-CB 4.22Å; W5-P324 HydrophobicContact CZ2-CG 4.02Å; L322-P324 VanDerWaalsContact O-CD 3.3Å; L322-P324 WeakPolarHBondContact O-CD 3.29Å; P324-M329 HydrophobicContact CB-CE 4.14Å; P324-M329 HydrophobicContact CB-CG 3.85Å; P324-M329 HydrophobicContact CG-CE 3.58Å; P324-M329 HydrophobicContact CG-CG 4.27Å; P324-L332 HydrophobicContact CB-CD2 3.74Å
325N81.3Confident80.5Confident41 Ų4154.2 Ų54.222%0.21925%0.252CS..  trans-73.7127.9166.8-79.4-32.3000110.1N31 L32 K327 N328 M329N31-N325 PolarHBondContact O-ND2 3.48Å; L32-N325 WeakPolarHBondContact O-CB 3.18Å; L32-N325 PolarHBondContact O-N 2.98Å; N325-K327 PolarHBondContact O-N 2.86Å; N325-N328 HydrophobicContact CB-CB 4.24Å; N325-N328 PolarHBondContact O-N 3.25Å; N325-M329 PolarHBondContact O-N 3.18Å
326K74.6Confident81.2Confident169 Ų16952.2 Ų52.274%0.73524%0.24SC*.THydrogen-bonded Turntrans-46.6-37.2-176.5-101-172.1175.2-175.60114.8M1M1-K326 HydrophobicContact SD-CB 4.42Å; M1-K326 HydrophobicContact SD-CG 4.43Å
327K76.3Confident81.6Confident202 Ų20255.1 Ų55.188%0.87825%0.247SC*.THydrogen-bonded Turntrans-80.3-19-178.5-64.2-175.4178.9-178.20113.8N325N325-K327 PolarHBondContact O-N 2.86Å
328N77.9Confident81.8Confident56 Ų5658.4 Ų58.430%0.29927%0.266SS..THydrogen-bonded Turntrans-115.38.1-166.6-68.2-12.8000113.4L32 N325 K330 K331 L332L32-N328 HydrophobicContact CD2-CB 3.8Å; N325-N328 HydrophobicContact CB-CB 4.24Å; N325-N328 PolarHBondContact O-N 3.25Å; N328-K330 VanDerWaalsContact C-N 3.34Å; N328-K330 PolarHBondContact O-N 2.83Å; N328-K331 PolarHBondContact O-N 3.36Å; N328-L332 WeakPolarHBondContact O-CB 3.5Å; N328-L332 PolarHBondContact O-N 3.42Å
329M78.9Confident81.8Confident44 Ų4459.8 Ų59.822%0.21727%0.274CS..Hα-helixtrans-55.3-44.1-178.4-77.9175.9166.800113.1E3 W5 P324 N325 L332 R333E3-M329 HydrophobicContact CG-CE 4.43Å; E3-M329 VanDerWaalsContact OE2-CE 3.26Å; E3-M329 WeakPolarHBondContact OE2-CE 3.2Å; W5-M329 HydrophobicContact CH2-CB 3.97Å; W5-M329 HydrophobicContact CH2-CG 4.05Å; W5-M329 HydrophobicContact CZ2-CB 4.15Å; W5-M329 HydrophobicContact CZ2-CE 4.39Å; W5-M329 HydrophobicContact CZ2-CG 3.84Å; W5-M329 HydrophobicContact CZ2-SD 4.26Å; P324-M329 HydrophobicContact CB-CE 4.14Å; P324-M329 HydrophobicContact CB-CG 3.85Å; P324-M329 HydrophobicContact CG-CE 3.58Å; P324-M329 HydrophobicContact CG-CG 4.27Å; N325-M329 PolarHBondContact O-N 3.18Å; M329-L332 PolarHBondContact O-N 3Å; M329-R333 WeakPolarHBondContact O-CG 3.38Å; M329-R333 PolarHBondContact O-N 3.15Å
330K81.9Confident81.5Confident159 Ų15960.1 Ų60.169%0.69128%0.275SS*.Hα-helixtrans-62.7-47.9179.4-172.1178.3176.4-178.10111.9N328 L332 R333 E334N328-K330 VanDerWaalsContact C-N 3.34Å; N328-K330 PolarHBondContact O-N 2.83Å; K330-L332 VanDerWaalsContact C-N 3.31Å; K330-L332 PolarHBondContact O-N 3.44Å; K330-R333 PolarHBondContact O-N 3.31Å; K330-E334 WeakPolarHBondContact CE-OE1 3.34Å; K330-E334 WeakPolarHBondContact O-CG 3.3Å; K330-E334 PolarHBondContact O-N 3.21Å
331K81.9Confident81.2Confident96 Ų9664.8 Ų64.842%0.41730%0.295SS..Hα-helixtrans-63.3-36.6177.2-171.1174.6177-171.70112N30 L32 N328 E334 V335N30-K331 PolarHBondContact OD1-NZ 3.37Å; L32-K331 HydrophobicContact CD1-CG 4.27Å; L32-K331 HydrophobicContact CD2-CB 4.31Å; L32-K331 HydrophobicContact CD2-CD 3.86Å; L32-K331 HydrophobicContact CD2-CG 4.09Å; N328-K331 PolarHBondContact O-N 3.36Å; K331-E334 PolarHBondContact O-N 2.89Å; K331-V335 VanDerWaalsContact O-CG2 3.31Å; K331-V335 WeakPolarHBondContact O-CG2 3.38Å; K331-V335 PolarHBondContact O-N 3.38Å
332L82.1Confident80.6Confident0 Ų068.9 Ų68.90%031%0.314CS..Hα-helixtrans-63.8-42.9174.6-177.762.5000111.5W5 T26 L32 L322 P324 N328 M329 K330 V335 L336W5-L332 HydrophobicContact CE3-CD2 3.87Å; W5-L332 HydrophobicContact CE3-CG 4.48Å; W5-L332 HydrophobicContact CH2-CD2 4.34Å; W5-L332 HydrophobicContact CZ3-CB 4.29Å; W5-L332 HydrophobicContact CZ3-CD2 3.58Å; W5-L332 HydrophobicContact CZ3-CG 3.93Å; T26-L332 HydrophobicContact CG2-CD1 3.57Å; L32-L332 HydrophobicContact CB-CB 4.26Å; L32-L332 HydrophobicContact CB-CD1 3.91Å; L32-L332 HydrophobicContact CD1-CD1 4.37Å; L322-L332 HydrophobicContact CD2-CD1 4.39Å; P324-L332 HydrophobicContact CB-CD2 3.74Å; N328-L332 WeakPolarHBondContact O-CB 3.5Å; N328-L332 PolarHBondContact O-N 3.42Å; M329-L332 PolarHBondContact O-N 3Å; K330-L332 VanDerWaalsContact C-N 3.31Å; K330-L332 PolarHBondContact O-N 3.44Å; L332-V335 PolarHBondContact O-N 3.26Å; L332-L336 HydrophobicContact CD1-CD1 4.27Å; L332-L336 HydrophobicContact CD1-CG 4.33Å; L332-L336 HydrophobicContact CG-CD1 4.01Å; L332-L336 HydrophobicContact CG-CG 4.49Å; L332-L336 WeakPolarHBondContact O-CB 3.49Å; L332-L336 VanDerWaalsContact O-CG 3.25Å; L332-L336 WeakPolarHBondContact O-CG 3.47Å; L332-L336 PolarHBondContact O-N 3.25Å
333R81.8Confident79.8Confident55 Ų5570 Ų7021%0.20832%0.32CS..Hα-helixtrans-62.1-42.9175.8-70-171.7-173.2-72.85.6112.1W5 M329 K330 L336 Y337 E365 Y367 Y371W5-R333 HydrophobicContact CH2-CG 3.67Å; W5-R333 HydrophobicContact CZ3-CG 3.77Å; M329-R333 WeakPolarHBondContact O-CG 3.38Å; M329-R333 PolarHBondContact O-N 3.15Å; K330-R333 PolarHBondContact O-N 3.31Å; R333-L336 PolarHBondContact O-N 3.46Å; R333-Y337 WeakPolarHBondContact O-CB 3.31Å; R333-Y337 PolarHBondContact O-N 3.43Å; R333-E365 IonicContact NH2-OE2 3.74Å; R333-Y367 VanDerWaalsContact CZ-OH 3.26Å; R333-Y367 PolarHBondContact NH1-OH 3.4Å; R333-Y371 PolarHBondContact NH2-OH 3.43Å; R333-Y371 VanDerWaalsContact NH2-OH 3.1Å
334E82.8Confident78.8Confident99 Ų9971 Ų7146%0.46333%0.326SS..Hα-helixtrans-59.9-48.4176.4-71.1166.3-171.800111.4K330 K331 L336 Y337 D338K330-E334 WeakPolarHBondContact CE-OE1 3.34Å; K330-E334 WeakPolarHBondContact O-CG 3.3Å; K330-E334 PolarHBondContact O-N 3.21Å; K331-E334 PolarHBondContact O-N 2.89Å; E334-L336 PolarHBondContact O-N 2.84Å; E334-Y337 PolarHBondContact O-N 3.37Å; E334-D338 PolarHBondContact O-N 3.49Å
335V82.8Confident77.3Confident30 Ų3075 Ų7518%0.18235%0.354CS..Hα-helixtrans-61.5-42177.8170.50000112.1A25 T26 L32 K331 L332 L339A25-V335 HydrophobicContact CB-CG1 3.84Å; T26-V335 HydrophobicContact CG2-CG1 4.44Å; L32-V335 HydrophobicContact CD1-CB 4.46Å; L32-V335 HydrophobicContact CD1-CG2 3.95Å; K331-V335 VanDerWaalsContact O-CG2 3.31Å; K331-V335 WeakPolarHBondContact O-CG2 3.38Å; K331-V335 PolarHBondContact O-N 3.38Å; L332-V335 PolarHBondContact O-N 3.26Å; V335-L339 WeakPolarHBondContact O-CB 3.26Å; V335-L339 PolarHBondContact O-N 2.96Å; V335-L339 VanDerWaalsContact O-N 3.11Å
336L80.9Confident75.7Confident1 Ų177.3 Ų77.31%0.00537%0.373CS..Hα-helixtrans-67.7-39177.7-70.7170.3000111.9I7 L22 T26 L332 R333 E334 L339 Y340 Y369I7-L336 HydrophobicContact CD1-CD1 3.54Å; I7-L336 HydrophobicContact CD1-CD2 4.34Å; L22-L336 HydrophobicContact CD1-CD2 3.56Å; T26-L336 HydrophobicContact CG2-CD2 4.23Å; L332-L336 HydrophobicContact CD1-CD1 4.27Å; L332-L336 HydrophobicContact CD1-CG 4.33Å; L332-L336 HydrophobicContact CG-CD1 4.01Å; L332-L336 HydrophobicContact CG-CG 4.49Å; L332-L336 WeakPolarHBondContact O-CB 3.49Å; L332-L336 VanDerWaalsContact O-CG 3.25Å; L332-L336 WeakPolarHBondContact O-CG 3.47Å; L332-L336 PolarHBondContact O-N 3.25Å; R333-L336 PolarHBondContact O-N 3.46Å; E334-L336 PolarHBondContact O-N 2.84Å; L336-L339 PolarHBondContact O-N 3.33Å; L336-Y340 HydrophobicContact CD2-CE2 4.16Å; L336-Y340 WeakPolarHBondContact O-CD2 3.49Å; L336-Y340 PolarHBondContact O-N 2.79Å; L336-Y340 VanDerWaalsContact O-N 3.15Å; L336-Y369 HydrophobicContact CB-CE1 3.76Å; L336-Y369 WeakPolarHBondContact CB-OH 3.21Å
337Y82.3Confident74.3Confident120 Ų12069.9 Ų69.947%0.47134%0.344SS..Hα-helixtrans-62.8-47.4175.7-178.1-97.1000111R333 E334 L339 Y340 K341 P368R333-Y337 WeakPolarHBondContact O-CB 3.31Å; R333-Y337 PolarHBondContact O-N 3.43Å; E334-Y337 PolarHBondContact O-N 3.37Å; Y337-L339 VanDerWaalsContact C-N 3.29Å; Y337-L339 PolarHBondContact O-N 3.44Å; Y337-Y340 PolarHBondContact O-N 3.25Å; Y337-K341 HydrophobicContact CE1-CB 4.26Å; Y337-K341 HydrophobicContact CE1-CD 4.41Å; Y337-K341 VanDerWaalsContact O-CB 3.26Å; Y337-K341 WeakPolarHBondContact O-CB 3.43Å; Y337-K341 PolarHBondContact O-N 2.95Å; Y337-P368 HydrophobicContact CD2-CG 3.94Å; Y337-P368 HydrophobicContact CE2-CG 4.29Å
338D81.9Confident72.4Confident95 Ų9563.5 Ų63.551%0.50833%0.329SS..Hα-helixtrans-62.7-35.1178.5-86.2-34.7000113.5E334 K341E334-D338 PolarHBondContact O-N 3.49Å; D338-K341 IonicContact OD1-NZ 2.79Å; D338-K341 PolarHBondContact OD1-NZ 3.42Å
339L80Confident70.5Confident52 Ų5266.4 Ų66.427%0.27235%0.348SS..Hα-helixtrans-68.2-38.6178.1-159.479.4000111.7L22 A25 V335 L336 Y337 H342L22-L339 HydrophobicContact CD1-CD2 4.35Å; A25-L339 HydrophobicContact CB-CD1 4.32Å; V335-L339 WeakPolarHBondContact O-CB 3.26Å; V335-L339 PolarHBondContact O-N 2.96Å; V335-L339 VanDerWaalsContact O-N 3.11Å; L336-L339 PolarHBondContact O-N 3.33Å; Y337-L339 VanDerWaalsContact C-N 3.29Å; Y337-L339 PolarHBondContact O-N 3.44Å; L339-H342 PolarHBondContact O-CE1 3.03Å; L339-H342 PolarHBondContact O-ND1 2.94Å
340Y79.3Confident68.7Low9 Ų971.1 Ų71.14%0.03537%0.373CS..Hα-helixtrans-113.7-3.1-167.4-65.4-55.2000115.4A9 L22 L336 Y337 H342 L343 Y369A9-Y340 HydrophobicContact CB-CD1 4.4Å; A9-Y340 HydrophobicContact CB-CE1 3.54Å; A9-Y340 HydrophobicContact CB-CE2 4.35Å; A9-Y340 VanDerWaalsContact CB-CZ 3.49Å; A9-Y340 WeakPolarHBondContact CB-OH 3.28Å; L22-Y340 HydrophobicContact CD1-CE2 3.91Å; L22-Y340 WeakPolarHBondContact CD1-OH 3.29Å; L336-Y340 HydrophobicContact CD2-CE2 4.16Å; L336-Y340 WeakPolarHBondContact O-CD2 3.49Å; L336-Y340 PolarHBondContact O-N 2.79Å; L336-Y340 VanDerWaalsContact O-N 3.15Å; Y337-Y340 PolarHBondContact O-N 3.25Å; Y340-H342 PolarHBondContact O-N 2.8Å; Y340-L343 HydrophobicContact CD1-CD1 3.81Å; Y340-L343 HydrophobicContact CG-CD1 4.29Å; Y340-L343 VanDerWaalsContact O-CB 3.28Å; Y340-L343 WeakPolarHBondContact O-CB 3.32Å; Y340-L343 WeakPolarHBondContact O-CG 3.46Å; Y340-L343 PolarHBondContact O-N 3.24Å; Y340-Y369 AromaticContact CD2-CD1 3.63Å; Y340-Y369 HydrophobicContact CD2-CD1 3.63Å; Y340-Y369 HydrophobicContact CD2-CE1 4.23Å; Y340-Y369 HydrophobicContact CD2-CG 4.17Å; Y340-Y369 HydrophobicContact CG-CD1 4.1Å
341K78.7Confident66.6Low97 Ų9770.5 Ų70.542%0.42238%0.377SS..G310 helixtrans-54.2-26.9177.663.3-174.3174.2-163.50114.5Y337 D338 L343 D344Y337-K341 HydrophobicContact CE1-CB 4.26Å; Y337-K341 HydrophobicContact CE1-CD 4.41Å; Y337-K341 VanDerWaalsContact O-CB 3.26Å; Y337-K341 WeakPolarHBondContact O-CB 3.43Å; Y337-K341 PolarHBondContact O-N 2.95Å; D338-K341 IonicContact OD1-NZ 2.79Å; D338-K341 PolarHBondContact OD1-NZ 3.42Å; K341-L343 PolarHBondContact O-N 2.85Å; K341-D344 VanDerWaalsContact O-CB 3.23Å; K341-D344 WeakPolarHBondContact O-CB 3.16Å; K341-D344 PolarHBondContact O-N 3.15Å
342H74.4Confident64.2Low88 Ų8870.1 Ų70.141%0.40739%0.392SS..G310 helixtrans-64.5-22.1177.168.8-87.3000113.2L339 Y340 D344 S345L339-H342 PolarHBondContact O-CE1 3.03Å; L339-H342 PolarHBondContact O-ND1 2.94Å; Y340-H342 PolarHBondContact O-N 2.8Å; H342-D344 PolarHBondContact O-N 3.08Å; H342-S345 PolarHBondContact O-OG 2.95Å
343L68.5Low61.9Low24 Ų2474.8 Ų74.813%0.12642%0.424CS..G310 helixtrans-74.2-14.6175.2-58.7174.5000112.6P10 R310 Y340 K341P10-L343 HydrophobicContact CG-CD1 3.89Å; P10-L343 HydrophobicContact CG-CD2 3.66Å; P10-L343 HydrophobicContact CG-CG 4.44Å; R310-L343 PolarHBondContact NH1-O 2.98Å; Y340-L343 HydrophobicContact CD1-CD1 3.81Å; Y340-L343 HydrophobicContact CG-CD1 4.29Å; Y340-L343 VanDerWaalsContact O-CB 3.28Å; Y340-L343 WeakPolarHBondContact O-CB 3.32Å; Y340-L343 WeakPolarHBondContact O-CG 3.46Å; Y340-L343 PolarHBondContact O-N 3.24Å; K341-L343 PolarHBondContact O-N 2.85Å
344D64.3Low59.7Low51 Ų5179.2 Ų79.227%0.27345%0.449SS..THydrogen-bonded Turntrans-81.2-32.6179.7-150.623.9000112R310 K341 H342 S346 A347 A348 Y366 P368R310-D344 IonicContact NH1-OD1 3.59Å; K341-D344 VanDerWaalsContact O-CB 3.23Å; K341-D344 WeakPolarHBondContact O-CB 3.16Å; K341-D344 PolarHBondContact O-N 3.15Å; H342-D344 PolarHBondContact O-N 3.08Å; D344-S346 PolarHBondContact O-N 2.96Å; D344-S346 VanDerWaalsContact O-N 3.09Å; D344-A347 PolarHBondContact O-N 2.67Å; D344-A348 PolarHBondContact O-N 3.48Å; D344-Y366 PolarHBondContact OD1-OH 3.26Å; D344-P368 HydrophobicContact CB-CB 4.27Å
345S51.5Low57.3Low88 Ų8882.8 Ų82.862%0.61547%0.471SS*.THydrogen-bonded Turntrans-61.7-17176.911.10000114.6H342H342-S345 PolarHBondContact O-OG 2.95Å
346S46.8Very low55.2Low88 Ų8886.6 Ų86.662%0.61549%0.49SS*.THydrogen-bonded Turntrans-91.4-10.8174.6-52.80000113.6D344D344-S346 PolarHBondContact O-N 2.96Å; D344-S346 VanDerWaalsContact O-N 3.09Å
347A44.5Very low52.6Low14 Ų1492.9 Ų92.912%0.11653%0.53CS..THydrogen-bonded Turntrans-101.1-20.1-178.100000114.2R310 D344 V349 I350 D351R310-A347 VanDerWaalsContact NH2-CB 3.29Å; D344-A347 PolarHBondContact O-N 2.67Å; A347-V349 PolarHBondContact O-N 3.48Å; A347-I350 PolarHBondContact O-N 3.42Å; A347-I350 VanDerWaalsContact O-N 3.09Å; A347-D351 PolarHBondContact O-N 2.98Å
348A38.1Very low50.6Low68 Ų6891 Ų9156%0.56255%0.547SS*.THydrogen-bonded Turntrans-63.3-8.6172.100000113.9D344D344-A348 PolarHBondContact O-N 3.48Å
349V38.2Very low48.4Very low117 Ų11793 Ų9371%0.70956%0.557SS**THydrogen-bonded Turntrans-83.4-17.8175.1-169.80000112.2A347A347-V349 PolarHBondContact O-N 3.48Å
350I40.6Very low46.1Very low143 Ų14397.1 Ų97.173%0.73358%0.58SS**THydrogen-bonded Turntrans-101.1-22.7178.7-49.6179.1000111.6A347 A352A347-I350 PolarHBondContact O-N 3.42Å; A347-I350 VanDerWaalsContact O-N 3.09Å; I350-A352 VanDerWaalsContact C-N 3.29Å; I350-A352 PolarHBondContact O-N 3.35Å
351D36.5Very low44.3Very low146 Ų146103.4 Ų103.478%0.78161%0.613SS**THydrogen-bonded Turntrans-80-8.9176.7-157.132.7000113.4A347 S353A347-D351 PolarHBondContact O-N 2.98Å; D351-S353 VanDerWaalsContact C-N 3.28Å; D351-S353 PolarHBondContact O-N 3.09Å
352A32.2Very low42.3Very low87 Ų87103.1 Ų103.172%0.71962%0.624SS**THydrogen-bonded Turntrans-82.17.7-177.900000114.7I350I350-A352 VanDerWaalsContact C-N 3.29Å; I350-A352 PolarHBondContact O-N 3.35Å
353S35.1Very low40.4Very low99 Ų99107.4 Ų107.469%0.69264%0.644SS**SBendtrans-144.210.1-174.470.10000119.9D351D351-S353 VanDerWaalsContact C-N 3.28Å; D351-S353 PolarHBondContact O-N 3.09Å
354M34.6Very low39.4Very low147 Ų147114.4 Ų114.472%0.72468%0.676SS**  trans-147.877.8171.2-69.6-166.210000113.8I356M354-I356 HydrophobicContact CB-CD1 4.49Å; M354-I356 HydrophobicContact CB-CG1 4.27Å; M354-I356 HydrophobicContact CE-CD1 3.92Å; M354-I356 HydrophobicContact CE-CG1 4.37Å; M354-I356 PolarHBondContact O-N 3.41Å; M354-I356 VanDerWaalsContact O-N 3.08Å; M354-I356 HydrophobicContact SD-CD1 4.45Å
355D32.7Very low38.8Very low174 Ų174118 Ų11893%0.9369%0.691SS**  trans-70.192.2155.8-106.1-27.9000108.6P357D355-P357 WeakPolarHBondContact O-CD 2.86Å
356I38.3Very low39.4Very low111 Ų111120.4 Ų120.457%0.56969%0.687SS**  trans-95.9113.2169.8-57.1173.8000107.8M354 G358M354-I356 HydrophobicContact CB-CD1 4.49Å; M354-I356 HydrophobicContact CB-CG1 4.27Å; M354-I356 HydrophobicContact CE-CD1 3.92Å; M354-I356 HydrophobicContact CE-CG1 4.37Å; M354-I356 PolarHBondContact O-N 3.41Å; M354-I356 VanDerWaalsContact O-N 3.08Å; M354-I356 HydrophobicContact SD-CD1 4.45Å; I356-G358 PolarHBondContact O-N 3.23Å; I356-G358 VanDerWaalsContact O-N 3.16Å
357P27.2Very low40.6Very low132 Ų132118.2 Ų118.286%0.85767%0.666SS**THydrogen-bonded Turntrans-63117.8178.2-19.231.1000110.9D355D355-P357 WeakPolarHBondContact O-CD 2.86Å
358G38.9Very low41.7Very low80 Ų80117.8 Ų117.883%0.82566%0.662SS**THydrogen-bonded Turntrans133.4-12.5175.500000115.9I356I356-G358 PolarHBondContact O-N 3.23Å; I356-G358 VanDerWaalsContact O-N 3.16Å
359L35.2Very low43.4Very low138 Ų138115 Ų11572%0.72364%0.637SS**  trans-9991.9177.5-130.573.8000110.3L361L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 HydrophobicContact CB-CD1 4.17Å; L359-L361 HydrophobicContact CD2-CD1 3.56Å; L359-L361 HydrophobicContact CG-CD1 3.82Å; L359-L361 PolarHBondContact O-N 3.1Å
360N32.7Very low45.4Very low138 Ų138109.7 Ų109.774%0.73861%0.605SS**  trans-72.283.6172.2-107.8-18.4000110S362N360-S362 PolarHBondContact O-N 3.47Å; N360-S362 PolarHBondContact OD1-OG 3.18Å
361L42.1Very low47.4Very low141 Ų141104.5 Ų104.574%0.73858%0.576SS**  trans-76.75.2171.6-106.277.5000113.6L359 Q363L359-L361 VanDerWaalsContact C-N 3.31Å; L359-L361 HydrophobicContact CB-CD1 4.17Å; L359-L361 HydrophobicContact CD2-CD1 3.56Å; L359-L361 HydrophobicContact CG-CD1 3.82Å; L359-L361 PolarHBondContact O-N 3.1Å; L361-Q363 PolarHBondContact O-N 3.42Å
362S35.8Very low49.7Very low92 Ų9298.4 Ų98.464%0.64354%0.543SS*.THydrogen-bonded Turntrans-89.58.5-165.452.20000116.1N360N360-S362 PolarHBondContact O-N 3.47Å; N360-S362 PolarHBondContact OD1-OG 3.18Å
363Q35.7Very low52.3Low177 Ų17798.9 Ų98.983%0.82753%0.528SS*.THydrogen-bonded Turntrans-115.61.4-176.4-68.9-169.1-1.600115.9L361L361-Q363 PolarHBondContact O-N 3.42Å
364Q47.3Very low54.7Low171 Ų17194.1 Ų94.180%0.79950%0.495SS*.SBendtrans-101.5137.7173.6-70.7-174.70.600110.5Y366Q364-Y366 VanDerWaalsContact C-N 3.35Å; Q364-Y366 PolarHBondContact O-N 3.34Å
365E51.8Low57Low126 Ų12689.6 Ų89.659%0.58947%0.474SS*.  trans-59.797.2172.2-67.6-176.5147.400108.7R333 Y367R333-E365 IonicContact NH2-OE2 3.74Å; E365-Y367 HydrophobicContact CB-CD2 4.29Å; E365-Y367 HydrophobicContact CB-CE2 3.49Å; E365-Y367 VanDerWaalsContact CB-CE2 3.49Å; E365-Y367 HydrophobicContact CG-CE2 4.49Å; E365-Y367 WeakPolarHBondContact O-CD2 3.2Å; E365-Y367 PolarHBondContact O-N 3.07Å; E365-Y367 PolarHBondContact OE2-OH 2.62Å
366Y63.4Low59.2Low139 Ų13981.7 Ų81.755%0.54543%0.433SS..  trans-74.6124.6178.6178.9-98.8000109.8R310 D344 Q364R310-Y366 PolarHBondContact NH1-OH 2.76Å; R310-Y366 PolarHBondContact NH2-OH 3.44Å; D344-Y366 PolarHBondContact OD1-OH 3.26Å; Q364-Y366 VanDerWaalsContact C-N 3.35Å; Q364-Y366 PolarHBondContact O-N 3.34Å
367Y71.5Confident61Low42 Ų4279.3 Ų79.317%0.16542%0.421CS..  trans-122.5147.8173.8-65.1-68000109.7R333 E365 Y369 Y371R333-Y367 VanDerWaalsContact CZ-OH 3.26Å; R333-Y367 PolarHBondContact NH1-OH 3.4Å; E365-Y367 HydrophobicContact CB-CD2 4.29Å; E365-Y367 HydrophobicContact CB-CE2 3.49Å; E365-Y367 VanDerWaalsContact CB-CE2 3.49Å; E365-Y367 HydrophobicContact CG-CE2 4.49Å; E365-Y367 WeakPolarHBondContact O-CD2 3.2Å; E365-Y367 PolarHBondContact O-N 3.07Å; E365-Y367 PolarHBondContact OE2-OH 2.62Å; Y367-Y369 HydrophobicContact CG-CE2 4.15Å; Y367-Y369 PolarHBondContact O-N 2.81Å; Y367-Y371 AromaticContact CD2-CD1 3.57Å; Y367-Y371 HydrophobicContact CD2-CD1 3.57Å; Y367-Y371 HydrophobicContact CD2-CE1 4.24Å; Y367-Y371 AromaticContact CD2-CG 3.7Å; Y367-Y371 HydrophobicContact CD2-CG 3.7Å; Y367-Y371 AromaticContact CE2-CD1 3.54Å; Y367-Y371 HydrophobicContact CE2-CD1 3.54Å; Y367-Y371 AromaticContact CE2-CE1 3.72Å; Y367-Y371 HydrophobicContact CE2-CE1 3.72Å; Y367-Y371 AromaticContact CE2-CG 3.98Å; Y367-Y371 HydrophobicContact CE2-CG 3.98Å
368P67.3Low63.1Low6 Ų673.7 Ų73.74%0.03938%0.383CS..SBendtrans-70.85.4178.730.1-35000113.4Y337 D344Y337-P368 HydrophobicContact CD2-CG 3.94Å; Y337-P368 HydrophobicContact CE2-CG 4.29Å; D344-P368 HydrophobicContact CB-CB 4.27Å
369Y74.1Confident64.3Low9 Ų970.3 Ų70.34%0.03535%0.346CS..SBendtrans-136.5156.9178.250-96.7000109.4I7 L336 Y340 Y367 Y371I7-Y369 HydrophobicContact CD1-CD2 4.12Å; I7-Y369 HydrophobicContact CD1-CE2 3.6Å; I7-Y369 HydrophobicContact CG1-CD2 4.3Å; I7-Y369 HydrophobicContact CG1-CE2 4.13Å; I7-Y369 HydrophobicContact CG2-CD2 3.57Å; I7-Y369 HydrophobicContact CG2-CE2 4.15Å; I7-Y369 HydrophobicContact CG2-CG 4.11Å; L336-Y369 HydrophobicContact CB-CE1 3.76Å; L336-Y369 WeakPolarHBondContact CB-OH 3.21Å; Y340-Y369 AromaticContact CD2-CD1 3.63Å; Y340-Y369 HydrophobicContact CD2-CD1 3.63Å; Y340-Y369 HydrophobicContact CD2-CE1 4.23Å; Y340-Y369 HydrophobicContact CD2-CG 4.17Å; Y340-Y369 HydrophobicContact CG-CD1 4.1Å; Y367-Y369 HydrophobicContact CG-CE2 4.15Å; Y367-Y369 PolarHBondContact O-N 2.81Å; Y369-Y371 HydrophobicContact CE2-CD2 4.37Å; Y369-Y371 PolarHBondContact O-N 3.35Å
370V79.8Confident65.1Low6 Ų670.3 Ų70.34%0.03635%0.347CS..EExtended strand (participates in β ladder)trans-64.9125.7175173.20000108.8I7 S8 V302 E305 Y372I7-V370 VanDerWaalsContact CA-O 3.29Å; I7-V370 WeakPolarHBondContact CA-O 3.36Å; S8-V370 PolarHBondContact N-O 3.25Å; S8-V370 VanDerWaalsContact N-O 3.11Å; V302-V370 HydrophobicContact CG1-CG1 4.46Å; V302-V370 HydrophobicContact CG2-CG1 4.5Å; E305-V370 HydrophobicContact CB-CG1 4.07Å; E305-V370 HydrophobicContact CB-CG2 4.03Å; E305-V370 WeakPolarHBondContact OE2-CG1 3.43Å; V370-Y372 HydrophobicContact CG1-CD2 4.02Å; V370-Y372 HydrophobicContact CG1-CE2 3.85Å
371Y83.5Confident65.7Low33 Ų3367.4 Ų67.413%0.12933%0.328CS..EExtended strand (participates in β ladder)trans-135.5129.5-174.9167.1-99000111.5W5 I7 R333 Y367 Y369W5-Y371 HydrophobicContact CB-CD2 4.46Å; W5-Y371 HydrophobicContact CB-CE2 3.93Å; W5-Y371 AromaticContact CD2-CE2 3.98Å; W5-Y371 HydrophobicContact CD2-CE2 3.98Å; W5-Y371 HydrophobicContact CE3-CE2 4.41Å; W5-Y371 AromaticContact CG-CE2 3.74Å; W5-Y371 HydrophobicContact CG-CE2 3.74Å; I7-Y371 HydrophobicContact CG1-CD2 4.28Å; R333-Y371 PolarHBondContact NH2-OH 3.43Å; R333-Y371 VanDerWaalsContact NH2-OH 3.1Å; Y367-Y371 AromaticContact CD2-CD1 3.57Å; Y367-Y371 HydrophobicContact CD2-CD1 3.57Å; Y367-Y371 HydrophobicContact CD2-CE1 4.24Å; Y367-Y371 AromaticContact CD2-CG 3.7Å; Y367-Y371 HydrophobicContact CD2-CG 3.7Å; Y367-Y371 AromaticContact CE2-CD1 3.54Å; Y367-Y371 HydrophobicContact CE2-CD1 3.54Å; Y367-Y371 AromaticContact CE2-CE1 3.72Å; Y367-Y371 HydrophobicContact CE2-CE1 3.72Å; Y367-Y371 AromaticContact CE2-CG 3.98Å; Y367-Y371 HydrophobicContact CE2-CG 3.98Å; Y369-Y371 HydrophobicContact CE2-CD2 4.37Å; Y369-Y371 PolarHBondContact O-N 3.35Å
372Y84.5Confident65.3Low19 Ų1970.3 Ų70.38%0.07534%0.335CS..EExtended strand (participates in β ladder)trans-135.8128.5173.6-75.6-70000111.3L6 R301 V302 E305 V370L6-Y372 PolarHBondContact N-O 2.91Å; L6-Y372 PolarHBondContact O-N 2.73Å; R301-Y372 HydrophobicContact CB-CE1 4.48Å; R301-Y372 HydrophobicContact CB-CE2 4.02Å; R301-Y372 PolarHBondContact NE-OH 3.42Å; R301-Y372 PolarHBondContact NH2-OH 3.34Å; V302-Y372 HydrophobicContact CG2-CD2 3.47Å; V302-Y372 VanDerWaalsContact CG2-CD2 3.47Å; V302-Y372 HydrophobicContact CG2-CE2 3.96Å; V302-Y372 HydrophobicContact CG2-CG 4.44Å; E305-Y372 PolarHBondContact OE1-OH 2.94Å; E305-Y372 WeakPolarHBondContact OE2-CE2 3.45Å; E305-Y372 VanDerWaalsContact OE2-CZ 3.31Å; E305-Y372 PolarHBondContact OE2-OH 2.96Å; V370-Y372 HydrophobicContact CG1-CD2 4.02Å; V370-Y372 HydrophobicContact CG1-CE2 3.85Å
373K86.3Confident65Low96 Ų9675.7 Ų75.742%0.41736%0.363SS..EExtended strand (participates in β ladder)trans-85.4135.1172-180171.3167153.80110.4E3E3-K373 VanDerWaalsContact CD-CE 3.41Å; E3-K373 HydrophobicContact CG-CD 4.43Å; E3-K373 HydrophobicContact CG-CG 4.34Å; E3-K373 WeakPolarHBondContact OE1-CD 3.25Å; E3-K373 WeakPolarHBondContact OE1-CE 3.23Å; E3-K373 IonicContact OE1-NZ 3.07Å; E3-K373 PolarHBondContact OE1-NZ 3.09Å; E3-K373 IonicContact OE2-NZ 2.95Å; E3-K373 PolarHBondContact OE2-NZ 3.13Å
374I85.6Confident66.5Low0 Ų070.7 Ų70.70%034%0.34CS..EExtended strand (participates in β ladder)trans-120.6118.6170.8-48.9-173.7000107.2F4 L6 V102 W294 I295 K298 L321F4-I374 HydrophobicContact CB-CB 4.27Å; F4-I374 PolarHBondContact N-O 3.43Å; F4-I374 PolarHBondContact O-N 3.41Å; L6-I374 HydrophobicContact CB-CD1 4.23Å; L6-I374 HydrophobicContact CD2-CD1 4.18Å; V102-I374 HydrophobicContact CG1-CD1 4.43Å; W294-I374 HydrophobicContact CH2-CG2 4.21Å; W294-I374 HydrophobicContact CZ3-CG2 4.24Å; I295-I374 HydrophobicContact CD1-CD1 4.3Å; I295-I374 HydrophobicContact CD1-CG2 4.18Å; K298-I374 HydrophobicContact CD-CD1 3.68Å; K298-I374 HydrophobicContact CD-CG1 3.54Å; L321-I374 HydrophobicContact CD1-CD1 4.34Å
375D82.9Confident67.5Low51 Ų5165.4 Ų65.427%0.27332%0.316SS..EExtended strand (participates in β ladder)trans-106114.7171.7-163.3-7.6000109.8T2 N377T2-D375 PolarHBondContact OG1-OD1 3.5Å; D375-N377 VanDerWaalsContact C-N 3.26Å; D375-N377 VanDerWaalsContact OD1-CB 3.29Å; D375-N377 WeakPolarHBondContact OD1-CB 3.5Å; D375-N377 PolarHBondContact OD1-N 3.06Å
376C79.6Confident68.4Low9 Ų962 Ų626%0.06130%0.301CS..  trans-840.3174.1-60.40000112.6T2 L98 L378T2-C376 WeakPolarHBondContact O-CB 3.16Å; T2-C376 PolarHBondContact O-N 3.35Å; L98-C376 HydrophobicContact CB-CB 4.4Å; C376-L378 PolarHBondContact O-N 3.09Å; C376-L378 VanDerWaalsContact O-N 3.09Å
377N76.6Confident68.6Low61 Ų6157.5 Ų57.533%0.32629%0.287SS..  trans-78.888.8169.4-16735.9000109.7T2 D375 L379T2-N377 HydrophobicContact CG2-CB 4.45Å; D375-N377 VanDerWaalsContact C-N 3.26Å; D375-N377 VanDerWaalsContact OD1-CB 3.29Å; D375-N377 WeakPolarHBondContact OD1-CB 3.5Å; D375-N377 PolarHBondContact OD1-N 3.06Å; N377-L379 VanDerWaalsContact C-N 3.34Å; N377-L379 PolarHBondContact OD1-O 3.16Å
378L70.3Confident68.5Low13 Ų1358.4 Ų58.47%0.06829%0.294CS..  trans-87-7.8-175.7-64168.8000113.4V69 K70 A73 L98 F287 F291 W294 C376V69-L378 HydrophobicContact CG1-CD1 3.9Å; V69-L378 HydrophobicContact CG1-CD2 3.81Å; V69-L378 HydrophobicContact CG1-CG 4.5Å; K70-L378 HydrophobicContact CG-CD2 4.18Å; A73-L378 HydrophobicContact CB-CB 4.06Å; L98-L378 HydrophobicContact CD1-CD1 3.48Å; L98-L378 VanDerWaalsContact CD1-CD1 3.48Å; L98-L378 HydrophobicContact CD1-CG 4.42Å; F287-L378 HydrophobicContact CE2-CD1 3.65Å; F287-L378 HydrophobicContact CZ-CD1 3.4Å; F287-L378 VanDerWaalsContact CZ-CD1 3.4Å; F291-L378 HydrophobicContact CD2-CD1 4.13Å; F291-L378 HydrophobicContact CE2-CD1 4.23Å; W294-L378 HydrophobicContact CZ3-CD2 4.36Å; C376-L378 PolarHBondContact O-N 3.09Å; C376-L378 VanDerWaalsContact O-N 3.09Å
379L64Low68.5Low9 Ų961.9 Ų61.95%0.04731%0.311CS..  trans-125.1112.1-179.3-63172.8000109.2A73 V87 L91 N377 F381A73-L379 HydrophobicContact CB-CD2 3.96Å; A73-L379 HydrophobicContact CB-CG 4.5Å; V87-L379 HydrophobicContact CB-CD1 4.45Å; V87-L379 HydrophobicContact CG1-CD1 3.52Å; L91-L379 HydrophobicContact CD1-CD1 3.72Å; L91-L379 HydrophobicContact CD1-CG 4.2Å; N377-L379 VanDerWaalsContact C-N 3.34Å; N377-L379 PolarHBondContact OD1-O 3.16Å; L379-F381 HydrophobicContact CB-CD2 3.8Å; L379-F381 HydrophobicContact CB-CE2 3.91Å; L379-F381 HydrophobicContact CD1-CD2 4.12Å; L379-F381 HydrophobicContact CD1-CE2 3.41Å; L379-F381 VanDerWaalsContact CD1-CE2 3.41Å; L379-F381 HydrophobicContact CD1-CZ 4.07Å; L379-F381 HydrophobicContact CG-CE2 4.18Å; L379-F381 PolarHBondContact O-N 3.47Å
380D53.6Low68.1Low138 Ų13865.7 Ų65.774%0.73833%0.331SS*.  trans-78.668.7163.3-74.4-28.5000108.5K382D380-K382 PolarHBondContact O-N 3.08Å
381F45.3Very low67.2Low78 Ų7870.3 Ų70.334%0.34235%0.354SS..  trans-67.696.1158.4-72.3-62.1000106.3K84 L379 V383K84-F381 HydrophobicContact CD-CE1 4Å; K84-F381 HydrophobicContact CG-CE1 4.48Å; L379-F381 HydrophobicContact CB-CD2 3.8Å; L379-F381 HydrophobicContact CB-CE2 3.91Å; L379-F381 HydrophobicContact CD1-CD2 4.12Å; L379-F381 HydrophobicContact CD1-CE2 3.41Å; L379-F381 VanDerWaalsContact CD1-CE2 3.41Å; L379-F381 HydrophobicContact CD1-CZ 4.07Å; L379-F381 HydrophobicContact CG-CE2 4.18Å; L379-F381 PolarHBondContact O-N 3.47Å; F381-V383 PolarHBondContact O-N 3.28Å
382K31.9Very low65.9Low202 Ų20273.4 Ų73.488%0.87837%0.372SS*.  trans-57.199.7156.2-76.2-173.6177.1-1790105.9D380D380-K382 PolarHBondContact O-N 3.08Å
383V30.3Very low64.2Low205 Ų20578.4 Ų78.4100%1.24240%0.399SS*.  trans-68.60160.4179.30000107.7F381F381-V383 PolarHBondContact O-N 3.28Å

Retrieved 383 of 383 residues in 563.2 ms (Link to these results)