A0A077Z154_TRITR Loading...

Sterol regulatory element-binding protein cleavage-activating protein

Escort protein required for cholesterol as well as lipid homeostasis. Regulates export of the SCAP-SREBP complex from the endoplasmic reticulum to the Golgi upon low cholesterol, thereby regulating the processing of sterol regulatory element-binding proteins (SREBPs) SREBF1/SREBP1 and SREBF2/SREBP2. At high sterol concentrations, formation of a ternary complex with INSIG (INSIG1 or INSIG2) leads to mask the ER export signal in SCAP, promoting retention of the complex in the endoplasmic reticulum. Low sterol concentrations trigger release of INSIG, a conformational change in the SSD domain of SCAP, unmasking of the ER export signal, promoting recruitment into COPII-coated vesicles and transport of the SCAP-SREBP to the Golgi: in the Golgi, SREBPs are then processed, releasing the transcription factor fragment of SREBPs from the membrane, its import into the nucleus and up-regulation of LDLR, INSIG1 and the mevalonate pathway. Binds cholesterol via its SSD domain.

AlphaFold DB , UniProt , Accession A0A077Z154, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 1,095 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
1M33.7Very low54.5Low168 Ų168107.4 Ų107.483%0.82850%0.503SS*.  0-59.30-76.8-74.7-14200112.4R3 R4 R5M1-R3 PolarHBondContact O-N 3.25Å; M1-R4 PolarHBondContact O-N 3.03Å; M1-R5 WeakPolarHBondContact O-CG 3.29Å; M1-R5 PolarHBondContact O-N 3.36Å
2L35.2Very low56.2Low139 Ų13998.6 Ų98.673%0.72846%0.462SS*.Hα-helixtrans-58.6-47.1-179.9-73.1161.3000113R4 R5 C6L2-R4 PolarHBondContact O-N 2.69Å; L2-R5 WeakPolarHBondContact O-CB 3.34Å; L2-R5 PolarHBondContact O-N 3.4Å; L2-C6 PolarHBondContact O-N 3.19Å; L2-C6 PolarHBondContact O-SG 2.92Å
3R39Very low57.8Low108 Ų10891.6 Ų91.641%0.40843%0.432SS..Hα-helixtrans-62.1-41.7177.1-79.9-174.8-171.7-175.410114.6M1 R5 C6 Q7 P701 D703M1-R3 PolarHBondContact O-N 3.25Å; R3-R5 VanDerWaalsContact C-N 3.32Å; R3-R5 PolarHBondContact O-N 3.28Å; R3-C6 CarbonylContact O-C 3.59Å; R3-C6 WeakPolarHBondContact O-CA 3.44Å; R3-C6 WeakPolarHBondContact O-CB 3.32Å; R3-C6 PolarHBondContact O-N 3.45Å; R3-C6 VanDerWaalsContact O-N 3.09Å; R3-Q7 PolarHBondContact O-N 2.95Å; R3-P701 PolarHBondContact NH1-O 3.09Å; R3-D703 PolarHBondContact NH1-O 2.85Å; R3-D703 PolarHBondContact NH2-O 2.87Å
4R40.6Very low59.2Low120 Ų12088.1 Ų88.145%0.45342%0.415SS..Hα-helixtrans-65-37.5174.1-70.2-167.5-158.6164.611.2112M1 L2 C6 Q7 L8M1-R4 PolarHBondContact O-N 3.03Å; L2-R4 PolarHBondContact O-N 2.69Å; R4-C6 VanDerWaalsContact C-N 3.28Å; R4-C6 PolarHBondContact O-N 2.75Å; R4-Q7 PolarHBondContact O-N 2.94Å; R4-L8 WeakPolarHBondContact O-CB 3.44Å; R4-L8 PolarHBondContact O-N 2.86Å
5R49.3Very low60.4Low151 Ų15183.4 Ų83.457%0.5740%0.397SS*.Hα-helixtrans-61.3-38.7171-73.6178177.2-179.4-0110.6M1 L2 R3 A9M1-R5 WeakPolarHBondContact O-CG 3.29Å; M1-R5 PolarHBondContact O-N 3.36Å; L2-R5 WeakPolarHBondContact O-CB 3.34Å; L2-R5 PolarHBondContact O-N 3.4Å; R3-R5 VanDerWaalsContact C-N 3.32Å; R3-R5 PolarHBondContact O-N 3.28Å; R5-A9 WeakPolarHBondContact O-CB 3.39Å; R5-A9 PolarHBondContact O-N 2.94Å
6C57Low61.8Low67 Ų6778.6 Ų78.645%0.45337%0.374SS..Hα-helixtrans-68.4-46175.2-61.10000112.8L2 R3 R4 A9 E10L2-C6 PolarHBondContact O-N 3.19Å; L2-C6 PolarHBondContact O-SG 2.92Å; R3-C6 CarbonylContact O-C 3.59Å; R3-C6 WeakPolarHBondContact O-CA 3.44Å; R3-C6 WeakPolarHBondContact O-CB 3.32Å; R3-C6 PolarHBondContact O-N 3.45Å; R3-C6 VanDerWaalsContact O-N 3.09Å; R4-C6 VanDerWaalsContact C-N 3.28Å; R4-C6 PolarHBondContact O-N 2.75Å; C6-A9 CarbonylContact O-C 3.59Å; C6-A9 WeakPolarHBondContact O-CB 3.46Å; C6-A9 PolarHBondContact O-N 3.12Å; C6-E10 WeakPolarHBondContact O-CB 3.46Å; C6-E10 WeakPolarHBondContact O-CG 3.33Å; C6-E10 PolarHBondContact O-N 3.11Å
7Q64.5Low63Low118 Ų11874.8 Ų74.855%0.55136%0.355SS*.Hα-helixtrans-63-49.3179.3-76.3176-24.300112R3 R4 A9 E10 E11R3-Q7 PolarHBondContact O-N 2.95Å; R4-Q7 PolarHBondContact O-N 2.94Å; Q7-A9 PolarHBondContact O-N 3.2Å; Q7-E10 PolarHBondContact O-N 3.18Å; Q7-E10 VanDerWaalsContact O-N 3.1Å; Q7-E11 WeakPolarHBondContact O-CG 3.47Å; Q7-E11 PolarHBondContact O-N 2.96Å
8L66.9Low63.9Low54 Ų5475.3 Ų75.328%0.28336%0.356SS..Hα-helixtrans-62.5-35.6176.1-170.268000110.7R4 V12 W369R4-L8 WeakPolarHBondContact O-CB 3.44Å; R4-L8 PolarHBondContact O-N 2.86Å; L8-V12 VanDerWaalsContact O-CB 3.27Å; L8-V12 WeakPolarHBondContact O-CB 3.35Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.13Å; L8-W369 HydrophobicContact CB-CH2 4.15Å; L8-W369 HydrophobicContact CB-CZ3 4.11Å; L8-W369 HydrophobicContact CD2-CH2 3.47Å; L8-W369 VanDerWaalsContact CD2-CH2 3.47Å; L8-W369 HydrophobicContact CD2-CZ3 3.6Å; L8-W369 HydrophobicContact CG-CE3 4.48Å; L8-W369 HydrophobicContact CG-CH2 3.81Å; L8-W369 HydrophobicContact CG-CZ3 3.52Å
9A68.2Low64.9Low18 Ų1873.3 Ų73.315%0.14934%0.344CS..Hα-helixtrans-62.8-42.7172.300000113R5 C6 Q7 A13 W369R5-A9 WeakPolarHBondContact O-CB 3.39Å; R5-A9 PolarHBondContact O-N 2.94Å; C6-A9 CarbonylContact O-C 3.59Å; C6-A9 WeakPolarHBondContact O-CB 3.46Å; C6-A9 PolarHBondContact O-N 3.12Å; Q7-A9 PolarHBondContact O-N 3.2Å; A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 3Å; A9-W369 VanDerWaalsContact CA-CD2 3.4Å; A9-W369 HydrophobicContact CB-CB 3.81Å; A9-W369 VanDerWaalsContact CB-CD1 3.4Å; A9-W369 HydrophobicContact CB-CD2 3.48Å; A9-W369 VanDerWaalsContact CB-CD2 3.48Å; A9-W369 HydrophobicContact CB-CE3 4.17Å; A9-W369 HydrophobicContact CB-CG 3.27Å
10E73.6Confident65.8Low128 Ų12869.7 Ų69.760%0.59833%0.327SS*.Hα-helixtrans-69.1-40.8178.8-76.6173.5-168.200112.4C6 Q7 A13 H14C6-E10 WeakPolarHBondContact O-CB 3.46Å; C6-E10 WeakPolarHBondContact O-CG 3.33Å; C6-E10 PolarHBondContact O-N 3.11Å; Q7-E10 PolarHBondContact O-N 3.18Å; Q7-E10 VanDerWaalsContact O-N 3.1Å; E10-A13 WeakPolarHBondContact O-CB 3.28Å; E10-A13 PolarHBondContact O-N 3.3Å; E10-H14 WeakPolarHBondContact O-CB 3.23Å; E10-H14 PolarHBondContact O-N 3.45Å
11E71.6Confident66.6Low110 Ų11068.9 Ų68.951%0.51432%0.321SS..Hα-helixtrans-66-46.5176.9-74.1-179.2-178.400111.6Q7 A13 H14 A15Q7-E11 WeakPolarHBondContact O-CG 3.47Å; Q7-E11 PolarHBondContact O-N 2.96Å; E11-A13 VanDerWaalsContact C-N 3.33Å; E11-H14 PolarHBondContact O-N 3.42Å; E11-H14 VanDerWaalsContact O-N 3.17Å; E11-A15 PolarHBondContact O-N 3.42Å
12V75Confident68.8Low2 Ų265.4 Ų65.41%0.01230%0.302CS..Hα-helixtrans-60-47.9173.4173.90000109L8 H14 A15 Y16 G368 W369 T372 C680L8-V12 VanDerWaalsContact O-CB 3.27Å; L8-V12 WeakPolarHBondContact O-CB 3.35Å; L8-V12 WeakPolarHBondContact O-CG2 3.41Å; L8-V12 PolarHBondContact O-N 3.13Å; V12-H14 VanDerWaalsContact C-N 3.26Å; V12-H14 PolarHBondContact O-N 3.4Å; V12-A15 WeakPolarHBondContact O-CB 3.16Å; V12-A15 PolarHBondContact O-N 3.41Å; V12-Y16 HydrophobicContact CG1-CD2 3.69Å; V12-Y16 HydrophobicContact CG1-CE2 3.52Å; V12-Y16 VanDerWaalsContact O-CD2 3.26Å; V12-Y16 WeakPolarHBondContact O-CD2 3.41Å; V12-Y16 PolarHBondContact O-N 3.2Å; V12-G368 WeakPolarHBondContact CG1-O 3.3Å; V12-W369 HydrophobicContact CB-CE3 4.01Å; V12-W369 HydrophobicContact CG1-CE3 4.32Å; V12-W369 HydrophobicContact CG2-CE3 3.94Å; V12-W369 HydrophobicContact CG2-CZ3 4.15Å; V12-T372 HydrophobicContact CG1-CG2 4.49Å; V12-C680 HydrophobicContact CG2-CB 4.49Å
13A76.2Confident71Confident8 Ų858.8 Ų58.87%0.06627%0.267CS..Hα-helixtrans-54.8-40.4174.900000112.8A9 E10 E11 Y16 Y17 G365 Y450A9-A13 WeakPolarHBondContact O-CB 3.44Å; A9-A13 PolarHBondContact O-N 3Å; E10-A13 WeakPolarHBondContact O-CB 3.28Å; E10-A13 PolarHBondContact O-N 3.3Å; E11-A13 VanDerWaalsContact C-N 3.33Å; A13-Y16 PolarHBondContact O-N 2.63Å; A13-Y17 WeakPolarHBondContact O-CB 3.44Å; A13-Y17 PolarHBondContact O-N 2.97Å; A13-G365 VanDerWaalsContact CA-O 3.25Å; A13-G365 WeakPolarHBondContact CA-O 3.42Å; A13-G365 WeakPolarHBondContact CB-O 3.3Å; A13-G365 WeakPolarHBondContact O-CA 3.41Å; A13-Y450 HydrophobicContact CB-CE1 4.25Å
14H78Confident72.8Confident43 Ų4354.4 Ų54.420%0.19925%0.253CS..Hα-helixtrans-68.4-37.8176.8-167.5-124.3000112.8E10 E11 V12 Y17 K18 Y450 S451E10-H14 WeakPolarHBondContact O-CB 3.23Å; E10-H14 PolarHBondContact O-N 3.45Å; E11-H14 PolarHBondContact O-N 3.42Å; E11-H14 VanDerWaalsContact O-N 3.17Å; V12-H14 VanDerWaalsContact C-N 3.26Å; V12-H14 PolarHBondContact O-N 3.4Å; H14-Y17 WeakPolarHBondContact O-CB 3.36Å; H14-Y17 PolarHBondContact O-N 3.33Å; H14-K18 WeakPolarHBondContact CE1-CE 3.45Å; H14-K18 PolarHBondContact CE1-NZ 3.3Å; H14-K18 VanDerWaalsContact ND1-CE 3.34Å; H14-K18 WeakPolarHBondContact ND1-CE 3.3Å; H14-K18 PolarHBondContact ND1-NZ 3.49Å; H14-K18 WeakPolarHBondContact O-CG 3.46Å; H14-K18 PolarHBondContact O-N 3.46Å; H14-Y450 AromaticContact CD2-CD1 3.79Å; H14-S451 PolarHBondContact CE1-OG 3.38Å; H14-S451 PolarHBondContact NE2-OG 3.25Å
15A77.2Confident74.6Confident17 Ų1752.2 Ų52.214%0.1426%0.256CS..Hα-helixtrans-62.4-46.1174.600000111.3E11 V12 Y17 K18 Y19 V679E11-A15 PolarHBondContact O-N 3.42Å; V12-A15 WeakPolarHBondContact O-CB 3.16Å; V12-A15 PolarHBondContact O-N 3.41Å; A15-Y17 VanDerWaalsContact C-N 3.32Å; A15-Y17 PolarHBondContact O-N 3.4Å; A15-K18 PolarHBondContact O-N 3.19Å; A15-Y19 WeakPolarHBondContact O-CB 3.44Å; A15-Y19 PolarHBondContact O-N 2.96Å; A15-V679 HydrophobicContact CB-CG1 4.09Å
16Y82.8Confident76.1Confident7 Ų752.2 Ų52.23%0.02726%0.256CS..Hα-helixtrans-64.5-35.1174.3-82-90.6000112.4V12 A13 Y19 G20 L364 G368 L371 T372 F409 L413V12-Y16 HydrophobicContact CG1-CD2 3.69Å; V12-Y16 HydrophobicContact CG1-CE2 3.52Å; V12-Y16 VanDerWaalsContact O-CD2 3.26Å; V12-Y16 WeakPolarHBondContact O-CD2 3.41Å; V12-Y16 PolarHBondContact O-N 3.2Å; A13-Y16 PolarHBondContact O-N 2.63Å; Y16-Y19 PolarHBondContact O-N 3.45Å; Y16-G20 PolarHBondContact O-N 3.31Å; Y16-L364 VanDerWaalsContact CB-O 3.31Å; Y16-L364 WeakPolarHBondContact CB-O 3.2Å; Y16-L364 HydrophobicContact CD1-CD2 4.38Å; Y16-G368 VanDerWaalsContact CE2-O 3.3Å; Y16-G368 WeakPolarHBondContact CE2-O 3.14Å; Y16-L371 HydrophobicContact CE1-CD2 3.82Å; Y16-T372 WeakPolarHBondContact CE2-OG1 3.11Å; Y16-T372 PolarHBondContact OH-OG1 3.4Å; Y16-F409 WeakPolarHBondContact OH-CE2 3.39Å; Y16-F409 VanDerWaalsContact OH-CZ 3.29Å; Y16-F409 WeakPolarHBondContact OH-CZ 3.41Å; Y16-L413 HydrophobicContact CD1-CD2 3.93Å; Y16-L413 HydrophobicContact CE1-CD1 4.23Å; Y16-L413 HydrophobicContact CE1-CD2 3.46Å; Y16-L413 VanDerWaalsContact CE1-CD2 3.46Å; Y16-L413 HydrophobicContact CE1-CG 4.43Å
17Y82Confident77.2Confident13 Ų1350.2 Ų50.25%0.05124%0.242CC..Hα-helixtrans-61.5-48.8172.4178.2-90.1000112.1A13 H14 A15 Y19 G20 R21 A361 Y450A13-Y17 WeakPolarHBondContact O-CB 3.44Å; A13-Y17 PolarHBondContact O-N 2.97Å; H14-Y17 WeakPolarHBondContact O-CB 3.36Å; H14-Y17 PolarHBondContact O-N 3.33Å; A15-Y17 VanDerWaalsContact C-N 3.32Å; A15-Y17 PolarHBondContact O-N 3.4Å; Y17-Y19 VanDerWaalsContact C-N 3.31Å; Y17-Y19 PolarHBondContact O-N 2.9Å; Y17-G20 PolarHBondContact O-N 2.81Å; Y17-R21 HydrophobicContact CE1-CG 4.42Å; Y17-R21 PolarHBondContact O-N 3.29Å; Y17-R21 VanDerWaalsContact O-N 3.11Å; Y17-R21 PolarHBondContact OH-NE 3.26Å; Y17-A361 WeakPolarHBondContact CA-O 3.24Å; Y17-A361 VanDerWaalsContact CD2-C 3.45Å; Y17-A361 HydrophobicContact CD2-CB 3.56Å; Y17-A361 WeakPolarHBondContact CD2-O 3.25Å; Y17-A361 HydrophobicContact CE2-CB 3.59Å; Y17-A361 HydrophobicContact CG-CB 4.11Å; Y17-A361 VanDerWaalsContact O-CB 3.32Å; Y17-A361 WeakPolarHBondContact O-CB 3.44Å; Y17-Y450 VanDerWaalsContact CD1-CB 3.46Å; Y17-Y450 HydrophobicContact CD1-CD2 4.47Å; Y17-Y450 HydrophobicContact CD1-CG 4.07Å; Y17-Y450 AromaticContact CD2-CD2 3.2Å; Y17-Y450 HydrophobicContact CD2-CD2 3.2Å; Y17-Y450 AromaticContact CD2-CE2 3.93Å; Y17-Y450 HydrophobicContact CD2-CE2 3.93Å; Y17-Y450 AromaticContact CD2-CG 3.64Å; Y17-Y450 HydrophobicContact CD2-CG 3.64Å; Y17-Y450 HydrophobicContact CE1-CG 4.49Å; Y17-Y450 AromaticContact CE2-CD2 3.63Å; Y17-Y450 HydrophobicContact CE2-CD2 3.63Å; Y17-Y450 HydrophobicContact CE2-CG 4.1Å; Y17-Y450 HydrophobicContact CG-CD1 4.39Å; Y17-Y450 AromaticContact CG-CD2 3.7Å; Y17-Y450 HydrophobicContact CG-CD2 3.7Å; Y17-Y450 HydrophobicContact CG-CE2 4.46Å; Y17-Y450 AromaticContact CG-CG 3.63Å; Y17-Y450 HydrophobicContact CG-CG 3.63Å
18K78.8Confident78.1Confident85 Ų8552.7 Ų52.737%0.3725%0.247SC..Hα-helixtrans-59.4-43.6175.7-74175.4-179.6157.80111.3H14 A15 R21 F22 V453H14-K18 WeakPolarHBondContact CE1-CE 3.45Å; H14-K18 PolarHBondContact CE1-NZ 3.3Å; H14-K18 VanDerWaalsContact ND1-CE 3.34Å; H14-K18 WeakPolarHBondContact ND1-CE 3.3Å; H14-K18 PolarHBondContact ND1-NZ 3.49Å; H14-K18 WeakPolarHBondContact O-CG 3.46Å; H14-K18 PolarHBondContact O-N 3.46Å; A15-K18 PolarHBondContact O-N 3.19Å; K18-R21 PolarHBondContact O-N 2.83Å; K18-F22 PolarHBondContact O-N 3.43Å; K18-V453 HydrophobicContact CG-CG2 4.5Å
19Y83.5Confident78.8Confident37 Ų3753 Ų5315%0.14526%0.257CS..Hα-helixtrans-64.3-43.5178-178.5-103000112.4A15 Y16 Y17 R21 F22 C23 L413 F414A15-Y19 WeakPolarHBondContact O-CB 3.44Å; A15-Y19 PolarHBondContact O-N 2.96Å; Y16-Y19 PolarHBondContact O-N 3.45Å; Y17-Y19 VanDerWaalsContact C-N 3.31Å; Y17-Y19 PolarHBondContact O-N 2.9Å; Y19-R21 VanDerWaalsContact C-N 3.3Å; Y19-R21 PolarHBondContact O-N 2.88Å; Y19-F22 WeakPolarHBondContact O-CA 3.45Å; Y19-F22 WeakPolarHBondContact O-CB 3.42Å; Y19-F22 PolarHBondContact O-N 3.32Å; Y19-C23 WeakPolarHBondContact CE1-SG 3.09Å; Y19-C23 PolarHBondContact O-N 2.88Å; Y19-C23 PolarHBondContact O-SG 3.5Å; Y19-C23 VanDerWaalsContact O-SG 3.32Å; Y19-L413 HydrophobicContact CD1-CD2 4.15Å; Y19-L413 HydrophobicContact CE1-CB 3.8Å; Y19-L413 HydrophobicContact CE1-CD2 3.86Å; Y19-L413 HydrophobicContact CE1-CG 4.39Å; Y19-L413 WeakPolarHBondContact CE1-O 3Å; Y19-L413 PolarHBondContact OH-O 3.33Å; Y19-F414 HydrophobicContact CE2-CD1 4.46Å; Y19-F414 AromaticContact CE2-CE1 3.91Å; Y19-F414 HydrophobicContact CE2-CE1 3.91Å; Y19-F414 AromaticContact CE2-CZ 3.95Å; Y19-F414 HydrophobicContact CE2-CZ 3.95Å; Y19-F414 WeakPolarHBondContact OH-CA 3.26Å; Y19-F414 WeakPolarHBondContact OH-CD1 3.27Å; Y19-F414 WeakPolarHBondContact OH-CD2 3.31Å; Y19-F414 WeakPolarHBondContact OH-CE1 3.29Å; Y19-F414 WeakPolarHBondContact OH-CG 3.45Å; Y19-F414 PolarHBondContact OH-N 2.87Å
20G83.1Confident79.6Confident0 Ų052.4 Ų52.40%025%0.252CS..Hα-helixtrans-60.6-39.417700000112.5Y16 Y17 C23 C24Y16-G20 PolarHBondContact O-N 3.31Å; Y17-G20 PolarHBondContact O-N 2.81Å; G20-C23 PolarHBondContact O-N 3.26Å; G20-C24 PolarHBondContact O-N 2.93Å; G20-C24 VanDerWaalsContact O-N 3.09Å; G20-C24 PolarHBondContact O-SG 3.21Å
21R81.7Confident80.2Confident53 Ų5347.7 Ų47.720%0.223%0.231CC..Hα-helixtrans-64.4-41.7171.3-79.3-158.8157.8-154.9-4.8112.6Y17 K18 Y19 C24 S25 A361 V453Y17-R21 HydrophobicContact CE1-CG 4.42Å; Y17-R21 PolarHBondContact O-N 3.29Å; Y17-R21 VanDerWaalsContact O-N 3.11Å; Y17-R21 PolarHBondContact OH-NE 3.26Å; K18-R21 PolarHBondContact O-N 2.83Å; Y19-R21 VanDerWaalsContact C-N 3.3Å; Y19-R21 PolarHBondContact O-N 2.88Å; R21-C24 PolarHBondContact O-N 3.48Å; R21-S25 WeakPolarHBondContact O-CB 3.29Å; R21-S25 PolarHBondContact O-N 3.39Å; R21-A361 HydrophobicContact CB-CB 4.44Å; R21-A361 HydrophobicContact CG-CB 3.57Å; R21-V453 HydrophobicContact CB-CG2 3.92Å; R21-V453 HydrophobicContact CG-CG2 4.33Å
22F81.5Confident80.9Confident96 Ų9645.3 Ų45.342%0.42123%0.23SC..Hα-helixtrans-60.1-48.3176.2174.8-101.2000111.4K18 Y19 C24 S25 R26 T30K18-F22 PolarHBondContact O-N 3.43Å; Y19-F22 WeakPolarHBondContact O-CA 3.45Å; Y19-F22 WeakPolarHBondContact O-CB 3.42Å; Y19-F22 PolarHBondContact O-N 3.32Å; F22-C24 VanDerWaalsContact C-N 3.31Å; F22-C24 PolarHBondContact O-N 3.43Å; F22-S25 PolarHBondContact O-N 3.35Å; F22-S25 VanDerWaalsContact O-N 3.15Å; F22-S25 PolarHBondContact O-OG 2.98Å; F22-R26 PolarHBondContact O-N 2.93Å; F22-T30 HydrophobicContact CD1-CG2 4.24Å; F22-T30 HydrophobicContact CE1-CG2 3.77Å
23C79.7Confident81.5Confident0 Ų048.3 Ų48.30%024%0.244CC..Hα-helixtrans-58-42.4177.7-69.20000112.4Y19 G20 R26 P27 P418Y19-C23 WeakPolarHBondContact CE1-SG 3.09Å; Y19-C23 PolarHBondContact O-N 2.88Å; Y19-C23 PolarHBondContact O-SG 3.5Å; Y19-C23 VanDerWaalsContact O-SG 3.32Å; G20-C23 PolarHBondContact O-N 3.26Å; C23-R26 CarbonylContact O-C 3.57Å; C23-P27 VanDerWaalsContact O-CA 3.26Å; C23-P27 WeakPolarHBondContact O-CA 3.46Å; C23-P27 VanDerWaalsContact O-N 3.14Å; C23-P418 HydrophobicContact CB-CG 4.28Å
24C78.2Confident82.1Confident16 Ų1648 Ų4811%0.10824%0.241CC..Hα-helixtrans-74.7-27.5179.1-61.60000113.4G20 R21 F22 R26 P27 C357 V360 A421G20-C24 PolarHBondContact O-N 2.93Å; G20-C24 VanDerWaalsContact O-N 3.09Å; G20-C24 PolarHBondContact O-SG 3.21Å; R21-C24 PolarHBondContact O-N 3.48Å; F22-C24 VanDerWaalsContact C-N 3.31Å; F22-C24 PolarHBondContact O-N 3.43Å; C24-R26 VanDerWaalsContact C-N 3.32Å; C24-P27 WeakPolarHBondContact O-CD 3.44Å; C24-C357 HydrophobicContact CB-CB 3.63Å; C24-C357 WeakPolarHBondContact CB-SG 3.18Å; C24-V360 WeakPolarHBondContact SG-CB 3.31Å; C24-A421 WeakPolarHBondContact SG-CB 3.29Å
25S78.4Confident82.6Confident73 Ų7349.4 Ų49.451%0.5125%0.25SC..Hα-helixtrans-69.9-30.4177.973.30000112.9R21 F22R21-S25 WeakPolarHBondContact O-CB 3.29Å; R21-S25 PolarHBondContact O-N 3.39Å; F22-S25 PolarHBondContact O-N 3.35Å; F22-S25 VanDerWaalsContact O-N 3.15Å; F22-S25 PolarHBondContact O-OG 2.98Å
26R79.6Confident83.1Confident152 Ų15250.8 Ų50.857%0.57426%0.258SS*.SBendtrans-143.961.5-176.9-62.7-177.2179.6165.1-2111.9F22 C23 C24 Y28 A29 T30F22-R26 PolarHBondContact O-N 2.93Å; C23-R26 CarbonylContact O-C 3.57Å; C24-R26 VanDerWaalsContact C-N 3.32Å; R26-Y28 VanDerWaalsContact C-N 3.31Å; R26-Y28 PolarHBondContact O-N 3.3Å; R26-A29 HydrophobicContact CB-CB 4.02Å; R26-A29 PolarHBondContact O-N 3.17Å; R26-A29 VanDerWaalsContact O-N 3.16Å; R26-T30 PolarHBondContact O-N 2.88Å; R26-T30 VanDerWaalsContact O-N 3.14Å; R26-T30 PolarHBondContact O-OG1 3.08Å
27P81.1Confident83.2Confident25 Ų2551.1 Ų51.116%0.16226%0.26CS..Hα-helixtrans-64.6-35.5-174.125.9-34.3000112.2C23 C24 A29 T30 L31 P418C23-P27 VanDerWaalsContact O-CA 3.26Å; C23-P27 WeakPolarHBondContact O-CA 3.46Å; C23-P27 VanDerWaalsContact O-N 3.14Å; C24-P27 WeakPolarHBondContact O-CD 3.44Å; P27-A29 PolarHBondContact O-N 3.19Å; P27-T30 WeakPolarHBondContact CA-OG1 3.38Å; P27-T30 PolarHBondContact O-N 3.07Å; P27-T30 PolarHBondContact O-OG1 3.33Å; P27-L31 VanDerWaalsContact O-CB 3.31Å; P27-L31 WeakPolarHBondContact O-CB 3.27Å; P27-L31 VanDerWaalsContact O-CG 3.27Å; P27-L31 WeakPolarHBondContact O-CG 3.45Å; P27-L31 PolarHBondContact O-N 2.7Å; P27-P418 HydrophobicContact CB-CB 4.47Å
28Y83.2Confident83.5Confident170 Ų17050.8 Ų50.867%0.66726%0.26SS*.Hα-helixtrans-65.4-37.9176.5-64.3-72.2000112.7R26 A32R26-Y28 VanDerWaalsContact C-N 3.31Å; R26-Y28 PolarHBondContact O-N 3.3Å; Y28-A32 WeakPolarHBondContact O-CB 3.48Å; Y28-A32 PolarHBondContact O-N 3.11Å
29A82.1Confident83.8Confident59 Ų5952.8 Ų52.849%0.48827%0.273SS..Hα-helixtrans-70.8-39.6179.500000111.3R26 P27 H33R26-A29 HydrophobicContact CB-CB 4.02Å; R26-A29 PolarHBondContact O-N 3.17Å; R26-A29 VanDerWaalsContact O-N 3.16Å; P27-A29 PolarHBondContact O-N 3.19Å; A29-H33 VanDerWaalsContact O-CB 3.27Å; A29-H33 WeakPolarHBondContact O-CB 3.28Å; A29-H33 PolarHBondContact O-N 3.31Å
30T84.6Confident83.8Confident6 Ų654.8 Ų54.84%0.03728%0.283CS..Hα-helixtrans-69.5-41.1176.852.70000111.9F22 R26 P27 H33 S34 P418F22-T30 HydrophobicContact CD1-CG2 4.24Å; F22-T30 HydrophobicContact CE1-CG2 3.77Å; R26-T30 PolarHBondContact O-N 2.88Å; R26-T30 VanDerWaalsContact O-N 3.14Å; R26-T30 PolarHBondContact O-OG1 3.08Å; P27-T30 WeakPolarHBondContact CA-OG1 3.38Å; P27-T30 PolarHBondContact O-N 3.07Å; P27-T30 PolarHBondContact O-OG1 3.33Å; T30-H33 PolarHBondContact O-N 3.22Å; T30-S34 PolarHBondContact O-N 3.24Å; T30-S34 PolarHBondContact O-OG 3.21Å; T30-S34 VanDerWaalsContact O-OG 3.1Å; T30-P418 VanDerWaalsContact OG1-CG 3.27Å; T30-P418 WeakPolarHBondContact OG1-CG 3.46Å
31L86.7Confident83.9Confident29 Ų2954.9 Ų54.915%0.15228%0.284CS..Hα-helixtrans-65.3-43.6173.8-73.9171000112.6P27 H33 S34 L35 F415 P418P27-L31 VanDerWaalsContact O-CB 3.31Å; P27-L31 WeakPolarHBondContact O-CB 3.27Å; P27-L31 VanDerWaalsContact O-CG 3.27Å; P27-L31 WeakPolarHBondContact O-CG 3.45Å; P27-L31 PolarHBondContact O-N 2.7Å; L31-H33 VanDerWaalsContact C-N 3.29Å; L31-H33 PolarHBondContact O-N 2.88Å; L31-S34 WeakPolarHBondContact CA-OG 3.35Å; L31-S34 PolarHBondContact O-N 3.44Å; L31-S34 PolarHBondContact O-OG 3Å; L31-S34 VanDerWaalsContact O-OG 3.05Å; L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.17Å; L31-F415 HydrophobicContact CD2-CD2 3.61Å; L31-F415 HydrophobicContact CD2-CE2 3.87Å; L31-F415 HydrophobicContact CD2-CG 4.3Å; L31-P418 HydrophobicContact CD1-CB 4.33Å; L31-P418 HydrophobicContact CD2-CB 3.98Å; L31-P418 HydrophobicContact CG-CB 3.79Å
32A85.9Confident84Confident61 Ų6153.2 Ų53.250%0.50428%0.28SS..Hα-helixtrans-63.4-38.817600000111.2Y28 S36Y28-A32 WeakPolarHBondContact O-CB 3.48Å; Y28-A32 PolarHBondContact O-N 3.11Å; A32-S36 WeakPolarHBondContact O-CB 3.49Å; A32-S36 PolarHBondContact O-N 2.92Å
33H86.8Confident83.9Confident65 Ų6552.9 Ų52.930%0.30128%0.277SS..Hα-helixtrans-64.3-47.7174.9-178.6-79.8000111.9A29 T30 L31 S36 M37 Y410A29-H33 VanDerWaalsContact O-CB 3.27Å; A29-H33 WeakPolarHBondContact O-CB 3.28Å; A29-H33 PolarHBondContact O-N 3.31Å; T30-H33 PolarHBondContact O-N 3.22Å; L31-H33 VanDerWaalsContact C-N 3.29Å; L31-H33 PolarHBondContact O-N 2.88Å; H33-S36 PolarHBondContact O-N 3.14Å; H33-M37 WeakPolarHBondContact O-CB 3.35Å; H33-M37 VanDerWaalsContact O-CG 3.26Å; H33-M37 WeakPolarHBondContact O-CG 3.49Å; H33-M37 PolarHBondContact O-N 3.14Å; H33-Y410 PolarHBondContact CE1-OH 3.11Å; H33-Y410 VanDerWaalsContact CE1-OH 3.22Å; H33-Y410 PolarHBondContact ND1-OH 2.76Å; H33-Y410 VanDerWaalsContact ND1-OH 3.09Å
34S89Confident83.7Confident0 Ų053.6 Ų53.60%028%0.281CS..Hα-helixtrans-65.4-44179.351.10000112.1T30 L31 S36 M37 V38 F414T30-S34 PolarHBondContact O-N 3.24Å; T30-S34 PolarHBondContact O-OG 3.21Å; T30-S34 VanDerWaalsContact O-OG 3.1Å; L31-S34 WeakPolarHBondContact CA-OG 3.35Å; L31-S34 PolarHBondContact O-N 3.44Å; L31-S34 PolarHBondContact O-OG 3Å; L31-S34 VanDerWaalsContact O-OG 3.05Å; S34-S36 PolarHBondContact O-N 3.3Å; S34-M37 PolarHBondContact O-N 2.75Å; S34-V38 VanDerWaalsContact O-CG2 3.3Å; S34-V38 WeakPolarHBondContact O-CG2 3.39Å; S34-V38 PolarHBondContact O-N 3.42Å; S34-F414 WeakPolarHBondContact CB-O 3.15Å; S34-F414 PolarHBondContact OG-O 3.44Å
35L88.4Confident83.2Confident74 Ų7453.9 Ų53.939%0.38728%0.281SS..Hα-helixtrans-63-41.6175.5-70.8172.7000112.3L31 V38 L39 L304 F415L31-L35 WeakPolarHBondContact O-CB 3.48Å; L31-L35 VanDerWaalsContact O-CG 3.31Å; L31-L35 WeakPolarHBondContact O-CG 3.4Å; L31-L35 PolarHBondContact O-N 3.17Å; L35-V38 PolarHBondContact O-N 3.42Å; L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 3.12Å; L35-L304 HydrophobicContact CD2-CD1 4.08Å; L35-F415 HydrophobicContact CD2-CD2 4.38Å; L35-F415 HydrophobicContact CD2-CE2 3.91Å; L35-F415 HydrophobicContact CG-CE2 4.25Å
36S87.1Confident82.6Confident45 Ų4557.2 Ų57.232%0.31529%0.293SS..Hα-helixtrans-59.5-48173.8179.50000111.2A32 H33 S34 V38 L39 F40A32-S36 WeakPolarHBondContact O-CB 3.49Å; A32-S36 PolarHBondContact O-N 2.92Å; H33-S36 PolarHBondContact O-N 3.14Å; S34-S36 PolarHBondContact O-N 3.3Å; S36-V38 VanDerWaalsContact C-N 3.33Å; S36-V38 PolarHBondContact O-N 2.88Å; S36-L39 PolarHBondContact O-N 2.85Å; S36-F40 WeakPolarHBondContact O-CD2 3.16Å; S36-F40 PolarHBondContact O-N 2.86Å; S36-F40 VanDerWaalsContact OG-CE2 3.29Å; S36-F40 WeakPolarHBondContact OG-CE2 3.42Å
37M85.8Confident81.7Confident15 Ų1553.9 Ų53.97%0.07429%0.292CS..Hα-helixtrans-60.7-40.8177-74.1-67.3143.200112.4H33 S34 F40 L41 T665H33-M37 WeakPolarHBondContact O-CB 3.35Å; H33-M37 VanDerWaalsContact O-CG 3.26Å; H33-M37 WeakPolarHBondContact O-CG 3.49Å; H33-M37 PolarHBondContact O-N 3.14Å; S34-M37 PolarHBondContact O-N 2.75Å; M37-F40 PolarHBondContact O-N 2.84Å; M37-L41 WeakPolarHBondContact O-CB 3.3Å; M37-L41 WeakPolarHBondContact O-CG 3.44Å; M37-L41 PolarHBondContact O-N 3.04Å; M37-T665 HydrophobicContact CE-CG2 3.97Å; M37-T665 HydrophobicContact SD-CG2 4.26Å
38V87.9Confident80.7Confident6 Ų653.4 Ų53.44%0.03629%0.29CS..Hα-helixtrans-63.6-46.1175.4175.40000110.6S34 L35 S36 F40 L41 S42 L304 M308 M411S34-V38 VanDerWaalsContact O-CG2 3.3Å; S34-V38 WeakPolarHBondContact O-CG2 3.39Å; S34-V38 PolarHBondContact O-N 3.42Å; L35-V38 PolarHBondContact O-N 3.42Å; S36-V38 VanDerWaalsContact C-N 3.33Å; S36-V38 PolarHBondContact O-N 2.88Å; V38-F40 VanDerWaalsContact C-N 3.32Å; V38-F40 PolarHBondContact O-N 2.88Å; V38-L41 PolarHBondContact O-N 2.69Å; V38-S42 WeakPolarHBondContact O-CB 3.44Å; V38-S42 PolarHBondContact O-N 3.4Å; V38-S42 PolarHBondContact O-OG 2.97Å; V38-L304 HydrophobicContact CB-CD2 4.46Å; V38-L304 HydrophobicContact CG1-CB 4.3Å; V38-L304 HydrophobicContact CG1-CD2 3.7Å; V38-L304 HydrophobicContact CG2-CB 4.13Å; V38-M308 HydrophobicContact CG2-SD 4.49Å; V38-M411 HydrophobicContact CG2-CE 3.81Å; V38-M411 HydrophobicContact CG2-SD 3.63Å
39L86.1Confident79.3Confident126 Ų12650.8 Ų50.866%0.6628%0.279SS*.Hα-helixtrans-59.6-42177.1-71.6171.7000111.9L35 S36 S42 Y43L35-L39 WeakPolarHBondContact O-CG 3.44Å; L35-L39 PolarHBondContact O-N 3.12Å; S36-L39 PolarHBondContact O-N 2.85Å; L39-S42 PolarHBondContact O-OG 2.87Å; L39-Y43 PolarHBondContact O-N 2.83Å; L39-Y43 VanDerWaalsContact O-N 3.1Å
40F83.6Confident77.8Confident80 Ų8057 Ų5735%0.35129%0.29SS..Hα-helixtrans-67-48.4177.5-80.4-65.4000112.5S36 M37 V38 Y43 V661 L662S36-F40 WeakPolarHBondContact O-CD2 3.16Å; S36-F40 PolarHBondContact O-N 2.86Å; S36-F40 VanDerWaalsContact OG-CE2 3.29Å; S36-F40 WeakPolarHBondContact OG-CE2 3.42Å; M37-F40 PolarHBondContact O-N 2.84Å; V38-F40 VanDerWaalsContact C-N 3.32Å; V38-F40 PolarHBondContact O-N 2.88Å; F40-Y43 WeakPolarHBondContact O-CB 3.36Å; F40-Y43 PolarHBondContact O-N 2.89Å; F40-V661 HydrophobicContact CD1-CG1 4.38Å; F40-V661 HydrophobicContact CE1-CG1 4.13Å; F40-L662 VanDerWaalsContact O-CD1 3.24Å; F40-L662 WeakPolarHBondContact O-CD1 3.46Å
41L84.6Confident76.3Confident2 Ų262.8 Ų62.81%0.0132%0.315CS..Hα-helixtrans-75.8-24.5-176.1-69.6169.8000113M37 V38 P44 M308 G311 I312 C666M37-L41 WeakPolarHBondContact O-CB 3.3Å; M37-L41 WeakPolarHBondContact O-CG 3.44Å; M37-L41 PolarHBondContact O-N 3.04Å; V38-L41 PolarHBondContact O-N 2.69Å; L41-P44 VanDerWaalsContact O-CD 3.3Å; L41-P44 WeakPolarHBondContact O-CD 3.49Å; L41-M308 HydrophobicContact CB-CG 3.72Å; L41-M308 HydrophobicContact CD1-CG 3.53Å; L41-M308 HydrophobicContact CD1-SD 3.44Å; L41-M308 WeakPolarHBondContact CD1-SD 3.39Å; L41-M308 HydrophobicContact CG-CG 4.27Å; L41-G311 CarbonylContact O-C 3.58Å; L41-G311 VanDerWaalsContact O-CA 3.22Å; L41-G311 WeakPolarHBondContact O-CA 3.41Å; L41-I312 HydrophobicContact CD1-CD1 4.42Å; L41-I312 HydrophobicContact CD2-CD1 4.48Å; L41-I312 HydrophobicContact CD2-CG1 4.07Å; L41-C666 WeakPolarHBondContact CD2-SG 3.49Å
42S84Confident74.8Confident18 Ų1866.5 Ų66.513%0.12633%0.327CS..Hα-helixtrans-86.1-13.3172.965.50000113.5V38 L39 P44 L45V38-S42 WeakPolarHBondContact O-CB 3.44Å; V38-S42 PolarHBondContact O-N 3.4Å; V38-S42 PolarHBondContact O-OG 2.97Å; L39-S42 PolarHBondContact O-OG 2.87Å; S42-P44 VanDerWaalsContact C-N 3.31Å; S42-L45 WeakPolarHBondContact O-CB 3.48Å; S42-L45 PolarHBondContact O-N 2.99Å
43Y79.5Confident73.2Confident89 Ų8963.8 Ų63.835%0.34931%0.305SS..Hα-helixtrans-50.3-41.9176.8174.3-99.2000114.3L39 F40 L45 L46 C47 M658L39-Y43 PolarHBondContact O-N 2.83Å; L39-Y43 VanDerWaalsContact O-N 3.1Å; F40-Y43 WeakPolarHBondContact O-CB 3.36Å; F40-Y43 PolarHBondContact O-N 2.89Å; Y43-L45 PolarHBondContact O-N 3.03Å; Y43-L45 VanDerWaalsContact O-N 3.08Å; Y43-L46 HydrophobicContact CD2-CD1 4.31Å; Y43-L46 WeakPolarHBondContact O-CB 3.41Å; Y43-L46 PolarHBondContact O-N 3.4Å; Y43-C47 PolarHBondContact O-N 2.83Å; Y43-M658 HydrophobicContact CD1-CE 3.44Å; Y43-M658 VanDerWaalsContact CD1-CE 3.44Å; Y43-M658 HydrophobicContact CD2-CE 3.75Å; Y43-M658 HydrophobicContact CE1-CE 3.19Å; Y43-M658 HydrophobicContact CE1-SD 3.75Å; Y43-M658 HydrophobicContact CE2-CE 3.53Å; Y43-M658 HydrophobicContact CE2-SD 4.33Å; Y43-M658 HydrophobicContact CG-CE 3.7Å; Y43-M658 PolarHBondContact OH-SD 3.07Å
44P75.1Confident71.7Confident14 Ų1462 Ų629%0.09130%0.3CS..Hα-helixtrans-55.1-28.9175.4-25.835.5000113.5L41 S42 C47 A48 V314 H315 L662L41-P44 VanDerWaalsContact O-CD 3.3Å; L41-P44 WeakPolarHBondContact O-CD 3.49Å; S42-P44 VanDerWaalsContact C-N 3.31Å; P44-C47 CarbonylContact O-C 3.13Å; P44-C47 PolarHBondContact O-N 3.05Å; P44-A48 VanDerWaalsContact O-CB 3.27Å; P44-A48 WeakPolarHBondContact O-CB 3.39Å; P44-A48 PolarHBondContact O-N 3.11Å; P44-V314 HydrophobicContact CB-CB 4.38Å; P44-V314 HydrophobicContact CB-CG1 4.02Å; P44-H315 HydrophobicContact CB-CB 4.34Å; P44-H315 HydrophobicContact CG-CB 4.08Å; P44-L662 HydrophobicContact CG-CD1 3.85Å
45L68.5Low70.1Confident22 Ų2263.7 Ų63.712%0.11531%0.311CS..Hα-helixtrans-67.4-33.3175.6-66.9161.8000113.3S42 Y43 C47 A48 W50 L307 A310 V314S42-L45 WeakPolarHBondContact O-CB 3.48Å; S42-L45 PolarHBondContact O-N 2.99Å; Y43-L45 PolarHBondContact O-N 3.03Å; Y43-L45 VanDerWaalsContact O-N 3.08Å; L45-C47 VanDerWaalsContact C-N 3.27Å; L45-A48 PolarHBondContact O-N 3.32Å; L45-W50 PolarHBondContact O-NE1 3.24Å; L45-L307 HydrophobicContact CD1-CD2 4.24Å; L45-L307 WeakPolarHBondContact CD1-O 3.35Å; L45-A310 HydrophobicContact CD1-CB 3.97Å; L45-A310 HydrophobicContact CD2-CB 3.84Å; L45-A310 HydrophobicContact CG-CB 4.44Å; L45-V314 HydrophobicContact CD2-CG2 3.97Å
46L65.4Low68.5Low143 Ų14361.6 Ų61.675%0.74930%0.302SS*.Hα-helixtrans-68.3-32.7175.6-64.7169.7000110.8Y43Y43-L46 HydrophobicContact CD2-CD1 4.31Å; Y43-L46 WeakPolarHBondContact O-CB 3.41Å; Y43-L46 PolarHBondContact O-N 3.4Å
47C60.8Low67.2Low83 Ų8360.4 Ų60.456%0.56129%0.293SS*.Hα-helixtrans-85-19.1173.4-63.10000113.2Y43 P44 L45Y43-C47 PolarHBondContact O-N 2.83Å; P44-C47 CarbonylContact O-C 3.13Å; P44-C47 PolarHBondContact O-N 3.05Å; L45-C47 VanDerWaalsContact C-N 3.27Å
48A59.1Low66Low14 Ų1461.8 Ų61.812%0.11630%0.3CS..SBendtrans-75.4139.3-175.400000110.9P44 L45 W50 V314 R321P44-A48 VanDerWaalsContact O-CB 3.27Å; P44-A48 WeakPolarHBondContact O-CB 3.39Å; P44-A48 PolarHBondContact O-N 3.11Å; L45-A48 PolarHBondContact O-N 3.32Å; A48-W50 PolarHBondContact O-N 3.23Å; A48-V314 HydrophobicContact CB-CB 4.48Å; A48-V314 HydrophobicContact CB-CG1 3.57Å; A48-V314 HydrophobicContact CB-CG2 4.1Å; A48-R321 VanDerWaalsContact CB-NH2 3.25Å
49R53.8Low64.9Low115 Ų11561.5 Ų61.543%0.43430%0.298SS..  trans-74.1127.8168.5-67.3-171-175.4139.114.6110.4R321 S589R49-R321 PolarHBondContact O-NH1 3.17Å; R49-R321 PolarHBondContact O-NH2 3.28Å; R49-S589 VanDerWaalsContact CZ-CA 3.41Å; R49-S589 VanDerWaalsContact NH1-CB 3.32Å; R49-S589 VanDerWaalsContact NH1-N 3.18Å
50W51.7Low63.7Low189 Ų18959.8 Ų59.872%0.71629%0.285SS*.SBendtrans-75.7-32.5-173.5-75.553.8000112.5L45 A48L45-W50 PolarHBondContact O-NE1 3.24Å; A48-W50 PolarHBondContact O-N 3.23Å
51F52.4Low62.8Low129 Ų12956.5 Ų56.557%0.56627%0.272SS*.  trans-98.6130.2177.2-55.6-78.8000109.4N595F51-N595 VanDerWaalsContact CB-ND2 3.31Å; F51-N595 WeakPolarHBondContact CB-ND2 3.42Å
52Y55.3Low61.7Low106 Ų10660.9 Ų60.942%0.41630%0.303SS..  trans-115.8115.2168.4-93.1-84000107.8S54Y52-S54 PolarHBondContact O-N 2.71Å
53P53Low60.6Low4 Ų465 Ų653%0.02632%0.324CS..  trans-69.8114174.127.3-33.2000108.7Y255 A584 E588 V594 N595P53-Y255 HydrophobicContact CB-CD1 3.65Å; P53-Y255 HydrophobicContact CB-CE1 4.36Å; P53-Y255 HydrophobicContact CB-CG 4.06Å; P53-A584 HydrophobicContact CB-CB 4.27Å; P53-A584 HydrophobicContact CG-CB 3.62Å; P53-E588 VanDerWaalsContact CD-CD 3.46Å; P53-E588 WeakPolarHBondContact CD-OE1 3.35Å; P53-E588 WeakPolarHBondContact CD-OE2 3.41Å; P53-E588 HydrophobicContact CG-CG 4.16Å; P53-V594 HydrophobicContact CB-CB 4.47Å; P53-N595 WeakPolarHBondContact CA-OD1 3.39Å; P53-N595 WeakPolarHBondContact CB-OD1 3.24Å
54S55.6Low59.6Low28 Ų2863 Ų6320%0.19632%0.32CS..  trans-93.7129.7167.458.40000109.3Y52 C56 K258Y52-S54 PolarHBondContact O-N 2.71Å; S54-C56 PolarHBondContact O-N 3.07Å; S54-K258 VanDerWaalsContact OG-CD 3.24Å; S54-K258 WeakPolarHBondContact OG-CD 3.34Å; S54-K258 WeakPolarHBondContact OG-CE 3.4Å
55P54Low58.7Low36 Ų3667.2 Ų67.223%0.23435%0.35CS..  trans-65129.3171.528.1-32.2000108.6I253 Y255P55-I253 HydrophobicContact CB-CG2 3.64Å; P55-Y255 HydrophobicContact CB-CD1 4.28Å; P55-Y255 HydrophobicContact CB-CE1 3.99Å; P55-Y255 HydrophobicContact CG-CE1 4.47Å
56C56.2Low58.2Low29 Ų2969.9 Ų69.920%0.19636%0.359CS..  trans-115.8-37.5-176.8-74.50000112.9S54 Y254 K256S54-C56 PolarHBondContact O-N 3.07Å; C56-Y254 PolarHBondContact N-O 3.36Å; C56-Y254 VanDerWaalsContact N-O 3.09Å; C56-K256 HydrophobicContact CB-CB 3.94Å
57V58.5Low57.6Low21 Ų2171.6 Ų71.613%0.12736%0.364CS..EExtended strand (participates in β ladder)trans-127.7121.8-177.1-169.90000108.4V59 W75 Y254V57-V59 HydrophobicContact CG1-CG2 3.68Å; V57-W75 HydrophobicContact CB-CZ2 4.42Å; V57-W75 HydrophobicContact CG1-CZ2 4.25Å; V57-Y254 PolarHBondContact O-N 3.21Å
58L61.5Low57.2Low43 Ų4368.1 Ų68.123%0.22534%0.34CS..EExtended strand (participates in β ladder)trans-104.4109.4172.5-72.290.2000107L251 Y580L58-L251 HydrophobicContact CB-CD1 3.9Å; L58-L251 HydrophobicContact CD2-CD1 4.04Å; L58-L251 HydrophobicContact CD2-CD2 4.44Å; L58-L251 HydrophobicContact CG-CD1 4.27Å; L58-Y580 HydrophobicContact CD2-CD2 3.94Å; L58-Y580 HydrophobicContact CD2-CE2 3.45Å; L58-Y580 VanDerWaalsContact CD2-CE2 3.45Å
59V63.7Low56.9Low0 Ų075.5 Ų75.50%038%0.378CS..EExtended strand (participates in β ladder)trans-108.5116.3176.1-170.80000107.9V57 T61 L73 W75 H252 V564V57-V59 HydrophobicContact CG1-CG2 3.68Å; V59-T61 HydrophobicContact CG1-CG2 3.85Å; V59-L73 HydrophobicContact CG2-CD2 3.69Å; V59-W75 HydrophobicContact CG2-CH2 3.8Å; V59-W75 HydrophobicContact CG2-CZ2 3.88Å; V59-H252 HydrophobicContact CB-CB 4.43Å; V59-H252 PolarHBondContact N-O 3.38Å; V59-H252 PolarHBondContact O-N 2.85Å; V59-V564 HydrophobicContact CG1-CG1 4.36Å
60K62.5Low57Low90 Ų9072.3 Ų72.339%0.39138%0.376SS..EExtended strand (participates in β ladder)trans-92.9114.3173.1-165.7179.5-179.3-170.70108.6E247 I250K60-E247 VanDerWaalsContact NZ-CB 3.34Å; K60-E247 PolarHBondContact NZ-O 3.17Å; K60-E247 IonicContact NZ-OE2 2.65Å; K60-E247 PolarHBondContact NZ-OE2 2.99Å; K60-I250 CarbonylContact C-O 3.55Å; K60-I250 WeakPolarHBondContact CA-O 3.24Å
61T63Low57.2Low12 Ų1270.2 Ų70.27%0.07438%0.378CS..EExtended strand (participates in β ladder)trans-116.1156.2178.161.50000109.8V59 N63 Y66 G249 I250 H252V59-T61 HydrophobicContact CG1-CG2 3.85Å; T61-N63 PolarHBondContact OG1-O 3.18Å; T61-Y66 HydrophobicContact CG2-CD2 4.38Å; T61-Y66 HydrophobicContact CG2-CG 4.23Å; T61-G249 CarbonylContact O-C 3.59Å; T61-G249 VanDerWaalsContact O-CA 3.26Å; T61-G249 WeakPolarHBondContact O-CA 3.49Å; T61-I250 PolarHBondContact N-O 3.35Å; T61-I250 PolarHBondContact O-N 3.48Å; T61-I250 PolarHBondContact OG1-O 3.06Å; T61-H252 PolarHBondContact OG1-CD2 3.43Å; T61-H252 VanDerWaalsContact OG1-CD2 3.24Å; T61-H252 PolarHBondContact OG1-NE2 2.86Å
62S63Low57.5Low94 Ų9470.9 Ų70.966%0.65739%0.388SS*.SBendtrans-84.7-19.517450.70000113.5
63N61.1Low57.9Low104 Ų10466.6 Ų66.656%0.55637%0.372SS*.SBendtrans-128.8147.5-174.1-71-17.7000112.7T61 S65T61-N63 PolarHBondContact OG1-O 3.18Å; N63-S65 VanDerWaalsContact C-N 3.3Å; N63-S65 PolarHBondContact O-N 3.45Å
64V58.4Low58.4Low46 Ų4669.1 Ų69.128%0.27939%0.39SS..SBendtrans-67.1-32.9-177.9-176.30000111.8Y84 A219 I250 L602V64-Y84 HydrophobicContact CG1-CE1 4.1Å; V64-A219 HydrophobicContact CG1-CB 3.67Å; V64-I250 HydrophobicContact CB-CD1 4.23Å; V64-I250 HydrophobicContact CG2-CD1 3.52Å; V64-L602 HydrophobicContact CG2-CD2 4.01Å
65S55.2Low58.9Low103 Ų10369 Ų6972%0.7239%0.386SS*.SBendtrans-102.1110.717356.10000108.8N63N63-S65 VanDerWaalsContact C-N 3.3Å; N63-S65 PolarHBondContact O-N 3.45Å
66Y58.1Low59.5Low78 Ų7868.1 Ų68.131%0.30638%0.379SS..  trans-116.6138.9173.9177.8-103000108.2T61 S68 L76 N77T61-Y66 HydrophobicContact CG2-CD2 4.38Å; T61-Y66 HydrophobicContact CG2-CG 4.23Å; Y66-S68 WeakPolarHBondContact CE1-OG 3.36Å; Y66-L76 HydrophobicContact CD1-CD2 3.6Å; Y66-L76 HydrophobicContact CE1-CD2 4.35Å; Y66-L76 HydrophobicContact CG-CD2 4.32Å; Y66-N77 PolarHBondContact O-OD1 3.24Å
67Q53Low60Low180 Ų18070 Ų7084%0.84139%0.387SS*.  trans-120.996.9171.3-89.2178.1-33.200107.4
68S52Low60.4Low10 Ų1075.2 Ų75.27%0.0741%0.414CS..  trans-82.1144.6166.937.60000111.6Y66 A70 L73 N77Y66-S68 WeakPolarHBondContact CE1-OG 3.36Å; S68-A70 VanDerWaalsContact C-N 3.35Å; S68-L73 VanDerWaalsContact OG-CB 3.3Å; S68-L73 WeakPolarHBondContact OG-CB 3.47Å; S68-N77 PolarHBondContact O-ND2 3.44Å
69N52.3Low60.7Low169 Ų16976.9 Ų76.990%0.90442%0.423SS*.  trans-89.82.9163.5-69.8-9.9000113
70A56Low61.1Low47 Ų4782.7 Ų82.739%0.38845%0.451SS..  trans-81.4124.117600000110.1S68 D72 L73S68-A70 VanDerWaalsContact C-N 3.35Å; A70-D72 PolarHBondContact O-N 3.11Å; A70-L73 PolarHBondContact O-N 3.33Å; A70-L73 VanDerWaalsContact O-N 3.17Å
71D56.5Low61.7Low145 Ų14579 Ų7978%0.77544%0.437SS*.G310 helixtrans-55.9-31.1176.7-73.8-26000112L73 S74D71-L73 PolarHBondContact O-N 2.95Å; D71-S74 WeakPolarHBondContact O-CB 3.49Å; D71-S74 PolarHBondContact O-N 2.98Å; D71-S74 PolarHBondContact O-OG 3.21Å; D71-S74 VanDerWaalsContact O-OG 3.11Å
72D57.7Low62.3Low143 Ų14379 Ų7977%0.76544%0.437SS*.G310 helixtrans-64.3-22.9-178.8-62.1-30.2000114.2A70 W75A70-D72 PolarHBondContact O-N 3.11Å; D72-W75 PolarHBondContact O-NE1 3.07Å
73L64Low63Low16 Ų1674.5 Ų74.58%0.08441%0.406CS..G310 helixtrans-110.216-176.3-74.2159.3000113.2V59 S68 A70 D71 W75 L76V59-L73 HydrophobicContact CG2-CD2 3.69Å; S68-L73 VanDerWaalsContact OG-CB 3.3Å; S68-L73 WeakPolarHBondContact OG-CB 3.47Å; A70-L73 PolarHBondContact O-N 3.33Å; A70-L73 VanDerWaalsContact O-N 3.17Å; D71-L73 PolarHBondContact O-N 2.95Å; L73-W75 HydrophobicContact CD2-CH2 4.3Å; L73-W75 HydrophobicContact CD2-CZ2 3.54Å; L73-W75 PolarHBondContact O-N 3.06Å; L73-W75 VanDerWaalsContact O-N 3.08Å; L73-L76 WeakPolarHBondContact O-CB 3.26Å; L73-L76 PolarHBondContact O-N 3.22Å
74S64.6Low63.9Low58 Ų5869.9 Ų69.941%0.40638%0.38SS..Hα-helixtrans-52.3-31.6-179.851.50000114.7D71 L76 N77 N78D71-S74 WeakPolarHBondContact O-CB 3.49Å; D71-S74 PolarHBondContact O-N 2.98Å; D71-S74 PolarHBondContact O-OG 3.21Å; D71-S74 VanDerWaalsContact O-OG 3.11Å; S74-L76 VanDerWaalsContact C-N 3.28Å; S74-L76 PolarHBondContact O-N 2.73Å; S74-N77 PolarHBondContact O-N 2.65Å; S74-N78 WeakPolarHBondContact O-CB 3.45Å; S74-N78 PolarHBondContact O-N 3.49Å; S74-N78 VanDerWaalsContact O-N 3.13Å; S74-N78 PolarHBondContact O-ND2 3.1Å
75W64.6Low65Low26 Ų2667.7 Ų67.710%0.09837%0.367CS..Hα-helixtrans-63-29176.854.8-93.1000113.6V57 V59 D72 L73 D79 Y254 F598V57-W75 HydrophobicContact CB-CZ2 4.42Å; V57-W75 HydrophobicContact CG1-CZ2 4.25Å; V59-W75 HydrophobicContact CG2-CH2 3.8Å; V59-W75 HydrophobicContact CG2-CZ2 3.88Å; D72-W75 PolarHBondContact O-NE1 3.07Å; L73-W75 HydrophobicContact CD2-CH2 4.3Å; L73-W75 HydrophobicContact CD2-CZ2 3.54Å; L73-W75 PolarHBondContact O-N 3.06Å; L73-W75 VanDerWaalsContact O-N 3.08Å; W75-D79 PolarHBondContact O-N 3.25Å; W75-Y254 HydrophobicContact CB-CD2 4.25Å; W75-Y254 HydrophobicContact CB-CE2 3.78Å; W75-Y254 HydrophobicContact CD2-CD1 4.45Å; W75-Y254 AromaticContact CD2-CD2 3.55Å; W75-Y254 HydrophobicContact CD2-CD2 3.55Å; W75-Y254 HydrophobicContact CD2-CE2 4Å; W75-Y254 AromaticContact CD2-CG 3.81Å; W75-Y254 HydrophobicContact CD2-CG 3.81Å; W75-Y254 AromaticContact CE2-CG 3.95Å; W75-Y254 AromaticContact CE3-CD2 3.5Å; W75-Y254 HydrophobicContact CE3-CD2 3.5Å; W75-Y254 HydrophobicContact CE3-CE2 4.23Å; W75-Y254 AromaticContact CE3-CG 3.95Å; W75-Y254 HydrophobicContact CE3-CG 3.95Å; W75-Y254 AromaticContact CG-CD2 3.89Å; W75-Y254 HydrophobicContact CG-CD2 3.89Å; W75-Y254 AromaticContact CG-CE2 3.82Å; W75-Y254 HydrophobicContact CG-CE2 3.82Å; W75-Y254 HydrophobicContact CG-CG 4.32Å; W75-Y254 HydrophobicContact CH2-CG 4.37Å; W75-Y254 HydrophobicContact CZ2-CG 4.22Å; W75-Y254 HydrophobicContact CZ3-CD2 4.11Å; W75-Y254 HydrophobicContact CZ3-CG 4.24Å; W75-F598 HydrophobicContact CE3-CB 4.07Å; W75-F598 AromaticContact CE3-CD1 3.74Å; W75-F598 HydrophobicContact CE3-CD1 3.74Å; W75-F598 HydrophobicContact CE3-CE1 4.4Å; W75-F598 HydrophobicContact CE3-CG 4.02Å; W75-F598 HydrophobicContact CZ3-CB 3.79Å; W75-F598 HydrophobicContact CZ3-CD1 4.07Å; W75-F598 HydrophobicContact CZ3-CD2 4.43Å; W75-F598 AromaticContact CZ3-CG 3.87Å; W75-F598 HydrophobicContact CZ3-CG 3.87Å; W75-F598 WeakPolarHBondContact O-CE1 3.38Å
76L68.1Low66.3Low17 Ų1762.8 Ų62.89%0.08933%0.333CS..Hα-helixtrans-75.3-29.6180-175.557.9000112Y66 L73 S74 H252 F598Y66-L76 HydrophobicContact CD1-CD2 3.6Å; Y66-L76 HydrophobicContact CE1-CD2 4.35Å; Y66-L76 HydrophobicContact CG-CD2 4.32Å; L73-L76 WeakPolarHBondContact O-CB 3.26Å; L73-L76 PolarHBondContact O-N 3.22Å; S74-L76 VanDerWaalsContact C-N 3.28Å; S74-L76 PolarHBondContact O-N 2.73Å; L76-H252 HydrophobicContact CD1-CB 4.23Å; L76-F598 HydrophobicContact CD1-CD2 4.18Å; L76-F598 HydrophobicContact CD1-CE1 4.47Å; L76-F598 HydrophobicContact CD1-CE2 3.72Å; L76-F598 HydrophobicContact CD1-CZ 3.9Å
77N66.1Low67.3Low68 Ų6860 Ų6036%0.36432%0.323SS..Hα-helixtrans-86.9-33.5-180-67.7-9.5000112.7Y66 S68 S74Y66-N77 PolarHBondContact O-OD1 3.24Å; S68-N77 PolarHBondContact O-ND2 3.44Å; S74-N77 PolarHBondContact O-N 2.65Å
78N65.9Low68.6Low131 Ų13151.5 Ų51.570%0.70128%0.283SS*.Hα-helixtrans-92-32.2-169.4-69.4-17.2000114S74S74-N78 WeakPolarHBondContact O-CB 3.45Å; S74-N78 PolarHBondContact O-N 3.49Å; S74-N78 VanDerWaalsContact O-N 3.13Å; S74-N78 PolarHBondContact O-ND2 3.1Å
79D68.8Low69.9Low78 Ų7852 Ų5242%0.41728%0.284SS..SBendtrans-106.1145.3-174-71.9-34.4000112.2W75 F598W75-D79 PolarHBondContact O-N 3.25Å; D79-F598 HydrophobicContact CB-CE1 4.08Å; D79-F598 WeakPolarHBondContact O-CE1 3.41Å; D79-F598 WeakPolarHBondContact O-CZ 3.48Å
80M72.3Confident71.2Confident121 Ų12144 Ų4460%0.59624%0.242SC*.  trans-80.2141.8169.3-72-64.8-6600110.3
81P75.3Confident72.3Confident13 Ų1342.9 Ų42.98%0.08423%0.228CC..  trans-62.7141.9177.922.7-31000111.6A83 Y84 F598P81-A83 VanDerWaalsContact C-N 3.32Å; P81-A83 PolarHBondContact O-N 3.4Å; P81-Y84 HydrophobicContact CB-CE2 4.4Å; P81-Y84 HydrophobicContact CG-CD2 4.28Å; P81-Y84 HydrophobicContact CG-CE1 3.84Å; P81-Y84 HydrophobicContact CG-CE2 3.47Å; P81-Y84 VanDerWaalsContact CG-CE2 3.47Å; P81-Y84 WeakPolarHBondContact CG-OH 3.38Å; P81-F598 WeakPolarHBondContact CA-O 3.31Å; P81-F598 HydrophobicContact CB-CD2 3.93Å; P81-F598 HydrophobicContact CB-CE2 3.59Å; P81-F598 HydrophobicContact CB-CZ 4.12Å; P81-F598 HydrophobicContact CG-CE2 4.08Å; P81-F598 HydrophobicContact CG-CZ 4.4Å
82V75.1Confident73.1Confident12 Ų1236.1 Ų36.17%0.07319%0.193CC..SBendtrans-64.5-41.9177.9-1780000110.9R597 F598 V599V82-R597 HydrophobicContact CG2-CB 3.3Å; V82-R597 VanDerWaalsContact CG2-CD 3.41Å; V82-R597 HydrophobicContact CG2-CG 4Å; V82-F598 PolarHBondContact N-O 3.44Å; V82-V599 HydrophobicContact CB-CG2 4.49Å
83A77.7Confident73.4Confident0 Ų030.9 Ų30.90%017%0.166CC..EExtended strand (participates in β ladder)trans-151.4151.1179.900000111P81 I214 I215 L587 V599 T600P81-A83 VanDerWaalsContact C-N 3.32Å; P81-A83 PolarHBondContact O-N 3.4Å; A83-I214 CarbonylContact C-O 3.56Å; A83-I214 VanDerWaalsContact CA-O 3.28Å; A83-I214 WeakPolarHBondContact CA-O 3.39Å; A83-I215 HydrophobicContact CB-CG1 4.11Å; A83-L587 HydrophobicContact CB-CD1 3.94Å; A83-L587 HydrophobicContact CB-CD2 3.53Å; A83-L587 HydrophobicContact CB-CG 4.41Å; A83-V599 WeakPolarHBondContact O-CG1 3.45Å; A83-T600 PolarHBondContact O-N 2.96Å
84Y80.8Confident73.1Confident7 Ų731.6 Ų31.63%0.02717%0.171CC..EExtended strand (participates in β ladder)trans-103.8129.8165.9-65.9-92.3000109.3V64 P81 M213 I214 A217 V222 T600 L602V64-Y84 HydrophobicContact CG1-CE1 4.1Å; P81-Y84 HydrophobicContact CB-CE2 4.4Å; P81-Y84 HydrophobicContact CG-CD2 4.28Å; P81-Y84 HydrophobicContact CG-CE1 3.84Å; P81-Y84 HydrophobicContact CG-CE2 3.47Å; P81-Y84 VanDerWaalsContact CG-CE2 3.47Å; P81-Y84 WeakPolarHBondContact CG-OH 3.38Å; Y84-M213 CarbonylContact O-C 3.6Å; Y84-M213 WeakPolarHBondContact O-CA 3.31Å; Y84-I214 PolarHBondContact N-O 3.48Å; Y84-I214 PolarHBondContact O-N 3.27Å; Y84-A217 WeakPolarHBondContact CE2-O 3.23Å; Y84-V222 HydrophobicContact CD1-CB 4.41Å; Y84-V222 HydrophobicContact CD1-CG1 4.01Å; Y84-V222 HydrophobicContact CD1-CG2 4.2Å; Y84-V222 HydrophobicContact CD2-CB 4.48Å; Y84-V222 HydrophobicContact CD2-CG2 3.46Å; Y84-V222 VanDerWaalsContact CD2-CG2 3.46Å; Y84-V222 HydrophobicContact CE2-CG2 3.8Å; Y84-V222 HydrophobicContact CG-CB 4.26Å; Y84-V222 HydrophobicContact CG-CG1 3.92Å; Y84-V222 HydrophobicContact CG-CG2 3.64Å; Y84-T600 CarbonylContact C-O 3.54Å; Y84-T600 VanDerWaalsContact CA-O 3.27Å; Y84-T600 WeakPolarHBondContact CA-O 3.31Å; Y84-T600 HydrophobicContact CD1-CG2 4.02Å; Y84-T600 HydrophobicContact CE1-CG2 4.11Å; Y84-L602 HydrophobicContact CD1-CD1 4.37Å
85I82Confident72.5Confident0 Ų032.2 Ų32.20%017%0.173CC..EExtended strand (participates in β ladder)trans-110.1124.1178.9-54-172.7000108.2T211 M213 W583 V599 T600 V601 L602I85-T211 HydrophobicContact CG2-CG2 3.62Å; I85-M213 HydrophobicContact CD1-CG 4.49Å; I85-M213 HydrophobicContact CD1-SD 4.06Å; I85-M213 HydrophobicContact CG1-CG 4Å; I85-M213 HydrophobicContact CG1-SD 4.18Å; I85-M213 HydrophobicContact CG2-CG 4.31Å; I85-W583 HydrophobicContact CD1-CB 3.82Å; I85-W583 HydrophobicContact CD1-CD2 3.44Å; I85-W583 VanDerWaalsContact CD1-CD2 3.44Å; I85-W583 HydrophobicContact CD1-CE3 3.56Å; I85-W583 HydrophobicContact CD1-CG 3.59Å; I85-W583 HydrophobicContact CD1-CZ3 4.3Å; I85-W583 HydrophobicContact CG2-CD2 4.31Å; I85-W583 HydrophobicContact CG2-CH2 4.18Å; I85-W583 HydrophobicContact CG2-CZ2 3.84Å; I85-V599 HydrophobicContact CD1-CG1 3.54Å; I85-V599 HydrophobicContact CG1-CG1 3.7Å; I85-T600 PolarHBondContact N-O 2.78Å; I85-V601 HydrophobicContact CB-CG2 4.29Å; I85-V601 HydrophobicContact CD1-CG2 4.45Å; I85-L602 PolarHBondContact O-N 3.48Å
86V81.3Confident71.8Confident0 Ų038.5 Ų38.50%020%0.201CC..EExtended strand (participates in β ladder)trans-121.7121.8173.7-1780000107.8V212 L229 L602 V605V86-V212 HydrophobicContact CB-CB 4.46Å; V86-V212 PolarHBondContact N-O 3.44Å; V86-V212 PolarHBondContact O-N 3.03Å; V86-L229 HydrophobicContact CG1-CD1 3.96Å; V86-L602 HydrophobicContact CG2-CB 4.08Å; V86-L602 HydrophobicContact CG2-CD1 3.6Å; V86-L602 HydrophobicContact CG2-CG 4.41Å; V86-V605 HydrophobicContact CG1-CG2 4.32Å
87Q79.7Confident71.1Confident20 Ų2044.9 Ų44.99%0.09324%0.235CC..EExtended strand (participates in β ladder)trans-95.5136.3170.7-69.5-175.3-46.700110.1M210 T211 W583 P604 V605Q87-M210 CarbonylContact C-O 3.53Å; Q87-M210 WeakPolarHBondContact CA-O 3.26Å; Q87-T211 HydrophobicContact CG-CG2 4.21Å; Q87-W583 HydrophobicContact CG-CZ2 4.23Å; Q87-P604 HydrophobicContact CB-CB 4.23Å; Q87-P604 CarbonylContact O-C 3.57Å; Q87-P604 VanDerWaalsContact O-CA 3.24Å; Q87-P604 WeakPolarHBondContact O-CA 2.88Å; Q87-V605 PolarHBondContact O-N 2.85Å
88V79.4Confident70.4Confident1 Ų147.8 Ų47.81%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-111.1110.9170.5-175.20000106.8L119 A209 M210 L229 V605 L607V88-L119 HydrophobicContact CG1-CD2 3.94Å; V88-A209 WeakPolarHBondContact O-CA 3.29Å; V88-M210 HydrophobicContact CB-CB 4.31Å; V88-M210 PolarHBondContact N-O 2.88Å; V88-M210 PolarHBondContact O-N 3.31Å; V88-L229 HydrophobicContact CG2-CD1 4.49Å; V88-L229 HydrophobicContact CG2-CD2 3.98Å; V88-V605 CarbonylContact C-O 3.58Å; V88-V605 WeakPolarHBondContact CA-O 3.35Å; V88-V605 HydrophobicContact CG2-CB 4.41Å; V88-L607 HydrophobicContact CG1-CD1 3.65Å; V88-L607 HydrophobicContact CG1-CG 4.22Å
89I79.5Confident69.8Low20 Ų2043.5 Ų43.510%0.10323%0.226CC..EExtended strand (participates in β ladder)trans-105.4117.3-177.1-60174.5000107.6A209 P604 V605 H606 L607I89-A209 HydrophobicContact CG1-CB 4.36Å; I89-P604 HydrophobicContact CD1-CB 3.83Å; I89-P604 HydrophobicContact CD1-CG 4.42Å; I89-P604 HydrophobicContact CG1-CB 4.3Å; I89-V605 PolarHBondContact N-O 3.4Å; I89-H606 WeakPolarHBondContact O-CA 3.45Å; I89-L607 PolarHBondContact O-N 2.9Å
90V80Confident69.1Low1 Ų143 Ų431%0.00623%0.229CC..EExtended strand (participates in β ladder)trans-97.5123.4176.6-168.10000108.6F112 L119 H207 Y208 F238 L607 V609V90-F112 HydrophobicContact CB-CE2 4.42Å; V90-F112 HydrophobicContact CB-CZ 4.29Å; V90-F112 HydrophobicContact CG1-CE2 3.85Å; V90-F112 HydrophobicContact CG1-CZ 4.22Å; V90-F112 WeakPolarHBondContact O-CZ 3.33Å; V90-L119 HydrophobicContact CG2-CD2 3.35Å; V90-H207 WeakPolarHBondContact O-CA 3.38Å; V90-Y208 HydrophobicContact CB-CD1 4.47Å; V90-Y208 HydrophobicContact CG2-CD1 3.99Å; V90-Y208 PolarHBondContact N-O 3.15Å; V90-Y208 PolarHBondContact O-N 3.08Å; V90-F238 HydrophobicContact CG1-CE1 4.34Å; V90-L607 CarbonylContact C-O 3.53Å; V90-L607 VanDerWaalsContact CA-O 3.25Å; V90-L607 WeakPolarHBondContact CA-O 3.29Å; V90-V609 HydrophobicContact CG1-CB 4.26Å; V90-V609 HydrophobicContact CG1-CG2 3.38Å
91H78.7Confident68.3Low23 Ų2342.9 Ų42.911%0.10625%0.247CC..EExtended strand (participates in β ladder)trans-102.4138.8176.2-63.1-57.4000109.7H207 W241 H606 L607 A608 V609H91-H207 AromaticContact CE1-CE1 3.56Å; H91-H207 AromaticContact CE1-ND1 3.32Å; H91-H207 PolarHBondContact CE1-ND1 3.11Å; H91-H207 VanDerWaalsContact CE1-ND1 3.32Å; H91-H207 AromaticContact ND1-CE1 3.12Å; H91-H207 PolarHBondContact ND1-CE1 2.86Å; H91-H207 AromaticContact ND1-ND1 2.77Å; H91-H207 PolarHBondContact ND1-ND1 3.25Å; H91-W241 AromaticContact CD2-CD1 3.74Å; H91-W241 AromaticContact CD2-CG 3.9Å; H91-H606 AromaticContact CD2-ND1 3.76Å; H91-H606 AromaticContact CE1-ND1 3.89Å; H91-H606 AromaticContact NE2-CE1 3.76Å; H91-H606 AromaticContact NE2-CG 3.85Å; H91-H606 AromaticContact NE2-ND1 2.97Å; H91-H606 PolarHBondContact NE2-ND1 2.84Å; H91-L607 PolarHBondContact N-O 3.22Å; H91-A608 CarbonylContact O-C 3.58Å; H91-A608 WeakPolarHBondContact O-CA 3.1Å; H91-V609 PolarHBondContact O-N 2.68Å
92T74.2Confident67.7Low4 Ų446.3 Ų46.33%0.02527%0.271CS..EExtended strand (participates in β ladder)trans-86.6127.6167.1-168.10000110.1T94 W206T92-T94 HydrophobicContact CG2-CG2 4.5Å; T92-W206 HydrophobicContact CG2-CB 3.79Å; T92-W206 HydrophobicContact CG2-CD2 4.24Å; T92-W206 HydrophobicContact CG2-CE3 4.11Å; T92-W206 HydrophobicContact CG2-CG 4.14Å; T92-W206 PolarHBondContact N-O 3.23Å
93T62.6Low67.4Low33 Ų3348.4 Ų48.420%0.20228%0.279CS..  trans-97.587165.155.20000107.8P95 W241 A608 V609 Q610T93-P95 VanDerWaalsContact C-CD 3.49Å; T93-P95 WeakPolarHBondContact O-CD 3.42Å; T93-W241 HydrophobicContact CG2-CE3 3.89Å; T93-W241 HydrophobicContact CG2-CH2 4.03Å; T93-W241 HydrophobicContact CG2-CZ3 3.22Å; T93-A608 HydrophobicContact CG2-CB 3.96Å; T93-V609 PolarHBondContact N-O 3.34Å; T93-V609 PolarHBondContact OG1-O 3.32Å; T93-Q610 WeakPolarHBondContact OG1-CG 3.15Å
94T58.7Low67.3Low31 Ų3151.1 Ų51.119%0.1930%0.298CS..  trans-9594167.651.10000108.9T92 K96 T204T92-T94 HydrophobicContact CG2-CG2 4.5Å; T94-K96 PolarHBondContact O-N 2.67Å; T94-T204 PolarHBondContact OG1-O 3.02Å
95P51.6Low66.8Low70 Ų7054.7 Ų54.746%0.45533%0.325SS..  trans-65.5117.4161.127.1-29.5000106.8T93 D97T93-P95 VanDerWaalsContact C-CD 3.49Å; T93-P95 WeakPolarHBondContact O-CD 3.42Å; P95-D97 PolarHBondContact O-N 2.95Å
96K50.9Low66.4Low159 Ų15956.2 Ų56.269%0.69134%0.335SS*.THydrogen-bonded Turntrans-52.7-19.3178.5-91.8171.2161.1154.70113.3T94T94-K96 PolarHBondContact O-N 2.67Å
97D52.3Low66.3Low150 Ų15058.7 Ų58.780%0.80235%0.347SS*.THydrogen-bonded Turntrans-93.7-12.5-165.7-58.1-26.8000115.6P95P95-D97 PolarHBondContact O-N 2.95Å
98N51.9Low66.1Low130 Ų13058.9 Ų58.970%0.69535%0.348SS*.SBendtrans-103.1-9.8-174.3-79.8-0.7000115.8
99F52.8Low66Low41 Ų4160.4 Ų60.418%0.1836%0.356CS..SBendtrans-91.6117.2175.3-80.3-84.2000109.3A101 F103 L108 L611 E613 V616F99-A101 PolarHBondContact O-N 2.79Å; F99-F103 AromaticContact CD1-CD2 3.79Å; F99-F103 HydrophobicContact CD1-CD2 3.79Å; F99-F103 HydrophobicContact CD1-CE2 4.14Å; F99-F103 HydrophobicContact CE1-CD2 4.34Å; F99-L108 HydrophobicContact CD1-CD2 4.44Å; F99-L108 HydrophobicContact CE1-CD2 4.04Å; F99-L108 HydrophobicContact CE2-CD2 4.39Å; F99-L108 HydrophobicContact CZ-CD2 4.01Å; F99-L611 HydrophobicContact CZ-CB 4.1Å; F99-L611 VanDerWaalsContact CZ-O 3.23Å; F99-L611 WeakPolarHBondContact CZ-O 3.44Å; F99-E613 HydrophobicContact CD1-CG 3.55Å; F99-E613 HydrophobicContact CE1-CB 4.37Å; F99-E613 HydrophobicContact CE1-CG 3.59Å; F99-V616 HydrophobicContact CE1-CG2 4.16Å; F99-V616 HydrophobicContact CZ-CG2 4.41Å
100S54.8Low66.1Low68 Ų6861 Ų6148%0.47636%0.356SS..  trans-50.8135.816659.70000108.7S102 E613S100-S102 PolarHBondContact O-N 2.78Å; S100-S102 PolarHBondContact O-OG 2.77Å; S100-E613 PolarHBondContact N-OE1 3.45Å; S100-E613 VanDerWaalsContact N-OE1 3.12Å; S100-E613 PolarHBondContact OG-OE1 3.02Å
101A55.7Low66.1Low118 Ų11861.2 Ų61.298%0.97536%0.358SS*.THydrogen-bonded Turntrans-62.439.6-163.200000117.4F99F99-A101 PolarHBondContact O-N 2.79Å
102S61.6Low66.3Low85 Ų8560.2 Ų60.259%0.59435%0.354SS*.THydrogen-bonded Turntrans-119.3-7.4-166.4680000115.7S100S100-S102 PolarHBondContact O-N 2.78Å; S100-S102 PolarHBondContact O-OG 2.77Å
103F69.5Low66.7Low55 Ų5560.3 Ų60.324%0.24135%0.354CS..  trans-105.7126.6-178.4-60-62.5000113.7F99 L108 E613 V616 I620F99-F103 AromaticContact CD1-CD2 3.79Å; F99-F103 HydrophobicContact CD1-CD2 3.79Å; F99-F103 HydrophobicContact CD1-CE2 4.14Å; F99-F103 HydrophobicContact CE1-CD2 4.34Å; F103-L108 HydrophobicContact CB-CG 4.36Å; F103-E613 HydrophobicContact CE2-CG 4.3Å; F103-V616 HydrophobicContact CD1-CG1 3.93Å; F103-V616 HydrophobicContact CD2-CG1 4.41Å; F103-V616 HydrophobicContact CE1-CG1 4.17Å; F103-V616 HydrophobicContact CG-CG1 4.06Å; F103-I620 HydrophobicContact CD1-CD1 3.49Å; F103-I620 VanDerWaalsContact CD1-CD1 3.49Å; F103-I620 HydrophobicContact CE1-CD1 3.52Å
104S74.7Confident67.5Low57 Ų5759.8 Ų59.840%0.39935%0.349SS..  trans-63.4143.7172.1176.50000111.7S106 H107 L108S104-S106 PolarHBondContact O-N 2.76Å; S104-S106 VanDerWaalsContact O-N 3.11Å; S104-S106 PolarHBondContact OG-N 3.47Å; S104-S106 PolarHBondContact OG-OG 2.9Å; S104-H107 WeakPolarHBondContact O-CB 3.41Å; S104-H107 PolarHBondContact O-N 3.19Å; S104-L108 PolarHBondContact O-N 2.79Å
105S71Confident68.5Low83 Ų8358.9 Ų58.958%0.5835%0.345SS*.Hα-helixtrans-51.1-34.1173.156.50000113H107 L108 M109S105-H107 PolarHBondContact O-N 3.13Å; S105-L108 PolarHBondContact O-N 2.85Å; S105-M109 WeakPolarHBondContact O-CB 3.39Å; S105-M109 PolarHBondContact O-N 3.3Å
106S74.3Confident69.8Low31 Ų3155.6 Ų55.622%0.21732%0.324CS..Hα-helixtrans-63.8-37.9176.464.30000113.4S104 R110S104-S106 PolarHBondContact O-N 2.76Å; S104-S106 VanDerWaalsContact O-N 3.11Å; S104-S106 PolarHBondContact OG-N 3.47Å; S104-S106 PolarHBondContact OG-OG 2.9Å; S106-R110 WeakPolarHBondContact O-CG 3.35Å; S106-R110 PolarHBondContact O-N 2.86Å
107H78.5Confident71.1Confident53 Ų5348.1 Ų48.125%0.24529%0.291CS..Hα-helixtrans-70.7-46.5178.3-71.3-55.1000110.9S104 S105 M109 R110 S111 M619 I620S104-H107 WeakPolarHBondContact O-CB 3.41Å; S104-H107 PolarHBondContact O-N 3.19Å; S105-H107 PolarHBondContact O-N 3.13Å; H107-M109 VanDerWaalsContact C-N 3.28Å; H107-M109 PolarHBondContact O-N 2.72Å; H107-R110 PolarHBondContact O-N 3.28Å; H107-S111 PolarHBondContact O-N 2.85Å; H107-M619 HydrophobicContact CB-CE 4.21Å; H107-M619 WeakPolarHBondContact O-CE 3.22Å; H107-I620 HydrophobicContact CB-CD1 4.35Å; H107-I620 HydrophobicContact CB-CG1 4.38Å
108L75Confident72.3Confident23 Ų2344 Ų4412%0.1227%0.267CS..Hα-helixtrans-57.6-43.2175.8-70.8171000110.9F99 F103 S104 S105 S111 F112 W206 L611 V616F99-L108 HydrophobicContact CD1-CD2 4.44Å; F99-L108 HydrophobicContact CE1-CD2 4.04Å; F99-L108 HydrophobicContact CE2-CD2 4.39Å; F99-L108 HydrophobicContact CZ-CD2 4.01Å; F103-L108 HydrophobicContact CB-CG 4.36Å; S104-L108 PolarHBondContact O-N 2.79Å; S105-L108 PolarHBondContact O-N 2.85Å; L108-S111 WeakPolarHBondContact O-CB 3.37Å; L108-S111 PolarHBondContact O-N 3.23Å; L108-F112 PolarHBondContact O-N 2.89Å; L108-W206 HydrophobicContact CB-CH2 3.35Å; L108-W206 HydrophobicContact CB-CZ3 3.65Å; L108-W206 WeakPolarHBondContact O-CZ3 3.41Å; L108-L611 HydrophobicContact CD2-CD1 4.5Å; L108-V616 HydrophobicContact CD2-CG1 4.37Å; L108-V616 HydrophobicContact CD2-CG2 4.01Å
109M77.5Confident73.6Confident33 Ų3337.8 Ų37.816%0.16323%0.234CC..Hα-helixtrans-65.9-40.8177.3-164.8-167.2177.600111.8S105 H107 S111 F112 F113 F175 P176 L179 W206S105-M109 WeakPolarHBondContact O-CB 3.39Å; S105-M109 PolarHBondContact O-N 3.3Å; H107-M109 VanDerWaalsContact C-N 3.28Å; H107-M109 PolarHBondContact O-N 2.72Å; M109-S111 VanDerWaalsContact C-N 3.33Å; M109-S111 PolarHBondContact O-N 2.9Å; M109-F112 WeakPolarHBondContact O-CB 3.37Å; M109-F112 PolarHBondContact O-N 2.76Å; M109-F113 HydrophobicContact CE-CD2 4.48Å; M109-F113 HydrophobicContact CE-CE2 3.64Å; M109-F113 HydrophobicContact CE-CZ 4.32Å; M109-F113 HydrophobicContact CG-CD2 4.17Å; M109-F113 HydrophobicContact CG-CE2 4.1Å; M109-F113 WeakPolarHBondContact O-CD2 3.46Å; M109-F113 PolarHBondContact O-N 2.71Å; M109-F175 HydrophobicContact CB-CE1 3.93Å; M109-F175 HydrophobicContact CB-CZ 4.06Å; M109-F175 HydrophobicContact CE-CZ 4.12Å; M109-F175 HydrophobicContact CG-CE1 3.98Å; M109-F175 HydrophobicContact CG-CZ 3.66Å; M109-F175 HydrophobicContact SD-CE1 3.82Å; M109-F175 HydrophobicContact SD-CZ 3.63Å; M109-P176 HydrophobicContact CE-CB 4.25Å; M109-P176 HydrophobicContact SD-CB 3.63Å; M109-P176 HydrophobicContact SD-CG 4.5Å; M109-L179 HydrophobicContact CE-CD1 4.16Å; M109-L179 HydrophobicContact CE-CD2 4.45Å; M109-W206 VanDerWaalsContact CA-CZ3 3.41Å; M109-W206 HydrophobicContact CB-CD2 4.27Å; M109-W206 HydrophobicContact CB-CE3 4.1Å; M109-W206 HydrophobicContact CB-CH2 3.96Å; M109-W206 HydrophobicContact CB-CZ2 4.06Å; M109-W206 HydrophobicContact CB-CZ3 3.98Å; M109-W206 HydrophobicContact CG-CD2 4.11Å; M109-W206 HydrophobicContact CG-CE3 4.25Å; M109-W206 VanDerWaalsContact N-CH2 3.33Å
110R81.7Confident74.7Confident32 Ų3236.7 Ų36.712%0.12123%0.228CC..Hα-helixtrans-61.8-40.3173.5-75.6-172.9-172.9152.79.4112.4S106 H107 F112 F113 E114 D172 F175 M619S106-R110 WeakPolarHBondContact O-CG 3.35Å; S106-R110 PolarHBondContact O-N 2.86Å; H107-R110 PolarHBondContact O-N 3.28Å; R110-F112 VanDerWaalsContact C-N 3.31Å; R110-F112 PolarHBondContact O-N 3.16Å; R110-F113 PolarHBondContact O-N 3.08Å; R110-E114 PolarHBondContact O-N 3.21Å; R110-D172 PolarHBondContact NH2-O 3.1Å; R110-D172 VanDerWaalsContact NH2-O 3.11Å; R110-F175 HydrophobicContact CB-CE1 4.27Å; R110-F175 HydrophobicContact CG-CD1 3.31Å; R110-F175 HydrophobicContact CG-CE1 3.3Å; R110-F175 HydrophobicContact CG-CG 3.98Å; R110-F175 HydrophobicContact CG-CZ 3.95Å; R110-F175 PolarHBondContact NH2-O 2.9Å; R110-M619 HydrophobicContact CB-SD 3.95Å
111S80.7Confident75.6Confident7 Ų736 Ų365%0.04922%0.22CC..Hα-helixtrans-59.5-44.5175.8-150.50000111.7H107 L108 M109 E114 A115H107-S111 PolarHBondContact O-N 2.85Å; L108-S111 WeakPolarHBondContact O-CB 3.37Å; L108-S111 PolarHBondContact O-N 3.23Å; M109-S111 VanDerWaalsContact C-N 3.33Å; M109-S111 PolarHBondContact O-N 2.9Å; S111-E114 PolarHBondContact O-N 2.82Å; S111-A115 PolarHBondContact O-N 2.8Å
112F82.6Confident76.6Confident1 Ų133.3 Ų33.30%0.00418%0.184CC..Hα-helixtrans-61-46.6177.3173.7-105000111.7V90 L108 M109 R110 A115 A116 W206 L611V90-F112 HydrophobicContact CB-CE2 4.42Å; V90-F112 HydrophobicContact CB-CZ 4.29Å; V90-F112 HydrophobicContact CG1-CE2 3.85Å; V90-F112 HydrophobicContact CG1-CZ 4.22Å; V90-F112 WeakPolarHBondContact O-CZ 3.33Å; L108-F112 PolarHBondContact O-N 2.89Å; M109-F112 WeakPolarHBondContact O-CB 3.37Å; M109-F112 PolarHBondContact O-N 2.76Å; R110-F112 VanDerWaalsContact C-N 3.31Å; R110-F112 PolarHBondContact O-N 3.16Å; F112-A115 PolarHBondContact O-N 3.37Å; F112-A116 PolarHBondContact O-N 3.05Å; F112-W206 HydrophobicContact CB-CE3 4.03Å; F112-W206 HydrophobicContact CB-CZ3 4.46Å; F112-W206 HydrophobicContact CD1-CB 4.1Å; F112-W206 HydrophobicContact CD1-CE3 4.49Å; F112-W206 HydrophobicContact CE1-CB 3.96Å; F112-W206 HydrophobicContact CG-CE3 4.27Å; F112-W206 HydrophobicContact CZ-CB 4.43Å; F112-W206 WeakPolarHBondContact CZ-O 3.17Å; F112-L611 HydrophobicContact CB-CD1 4.41Å
113F81.5Confident77.1Confident6 Ų629.6 Ų29.63%0.02616%0.158CC..Hα-helixtrans-65.5-38.5175.5-84.6-95.7000112.2M109 R110 A115 A116 F117 P158 W162 L169 F175 L179 Y208M109-F113 HydrophobicContact CE-CD2 4.48Å; M109-F113 HydrophobicContact CE-CE2 3.64Å; M109-F113 HydrophobicContact CE-CZ 4.32Å; M109-F113 HydrophobicContact CG-CD2 4.17Å; M109-F113 HydrophobicContact CG-CE2 4.1Å; M109-F113 WeakPolarHBondContact O-CD2 3.46Å; M109-F113 PolarHBondContact O-N 2.71Å; R110-F113 PolarHBondContact O-N 3.08Å; F113-A115 VanDerWaalsContact C-N 3.35Å; F113-A115 PolarHBondContact O-N 2.79Å; F113-A116 WeakPolarHBondContact O-CB 3.25Å; F113-A116 PolarHBondContact O-N 3.45Å; F113-A116 VanDerWaalsContact O-N 3.11Å; F113-F117 VanDerWaalsContact O-CD2 3.29Å; F113-F117 WeakPolarHBondContact O-CD2 3.28Å; F113-F117 PolarHBondContact O-N 3.38Å; F113-P158 HydrophobicContact CE1-CB 4.12Å; F113-W162 HydrophobicContact CD1-CH2 4.05Å; F113-W162 AromaticContact CD1-CZ3 3.96Å; F113-W162 HydrophobicContact CD1-CZ3 3.96Å; F113-W162 HydrophobicContact CE1-CH2 4.13Å; F113-W162 HydrophobicContact CE1-CZ3 4.2Å; F113-L169 HydrophobicContact CB-CD1 4.47Å; F113-L169 HydrophobicContact CB-CD2 3.88Å; F113-F175 HydrophobicContact CD2-CE2 4.21Å; F113-F175 HydrophobicContact CD2-CZ 4.03Å; F113-F175 HydrophobicContact CE2-CZ 4.47Å; F113-F175 HydrophobicContact CG-CE2 4.43Å; F113-L179 HydrophobicContact CE1-CD2 4.04Å; F113-L179 HydrophobicContact CE2-CD2 4.41Å; F113-L179 HydrophobicContact CZ-CD2 3.57Å; F113-Y208 HydrophobicContact CD1-CD2 4.03Å; F113-Y208 HydrophobicContact CD1-CE2 4.28Å; F113-Y208 AromaticContact CE1-CD2 3.82Å; F113-Y208 HydrophobicContact CE1-CD2 3.82Å; F113-Y208 HydrophobicContact CE1-CE2 4.32Å
114E80.9Confident77Confident22 Ų2229.1 Ų29.110%0.10316%0.16CC..Hα-helixtrans-59.3-43.9174.8-174.7178-17900111.8R110 S111 A116 F117 E118 M619 R622R110-E114 PolarHBondContact O-N 3.21Å; S111-E114 PolarHBondContact O-N 2.82Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 2.98Å; E114-F117 WeakPolarHBondContact O-CB 3.44Å; E114-F117 PolarHBondContact O-N 2.82Å; E114-E118 PolarHBondContact O-N 2.8Å; E114-M619 VanDerWaalsContact OE2-CB 3.31Å; E114-M619 WeakPolarHBondContact OE2-CB 3.36Å; E114-M619 WeakPolarHBondContact OE2-CG 3.31Å; E114-R622 IonicContact OE1-NH1 3.24Å; E114-R622 PolarHBondContact OE1-NH1 3.17Å
115A79.5Confident76.7Confident13 Ų1332.7 Ų32.711%0.10717%0.174CC..Hα-helixtrans-60.1-42.6173.300000111.1S111 F112 F113 F117 E118 L119 F238 V609S111-A115 PolarHBondContact O-N 2.8Å; F112-A115 PolarHBondContact O-N 3.37Å; F113-A115 VanDerWaalsContact C-N 3.35Å; F113-A115 PolarHBondContact O-N 2.79Å; A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.47Å; A115-E118 WeakPolarHBondContact O-CA 3.43Å; A115-E118 VanDerWaalsContact O-CB 3.3Å; A115-E118 WeakPolarHBondContact O-CB 3.41Å; A115-E118 PolarHBondContact O-N 3.45Å; A115-L119 PolarHBondContact O-N 3.09Å; A115-F238 WeakPolarHBondContact O-CZ 3.38Å; A115-V609 HydrophobicContact CB-CG1 4.1Å
116A77.4Confident76.4Confident1 Ų130.6 Ų30.61%0.00816%0.157CC..Hα-helixtrans-62.8-31.2176.300000113.6F112 F113 E114 E118 L119 R120 Y208F112-A116 PolarHBondContact O-N 3.05Å; F113-A116 WeakPolarHBondContact O-CB 3.25Å; F113-A116 PolarHBondContact O-N 3.45Å; F113-A116 VanDerWaalsContact O-N 3.11Å; E114-A116 VanDerWaalsContact C-N 3.31Å; E114-A116 PolarHBondContact O-N 2.98Å; A116-E118 VanDerWaalsContact C-N 3.34Å; A116-L119 WeakPolarHBondContact O-CB 3.3Å; A116-L119 PolarHBondContact O-N 2.79Å; A116-R120 PolarHBondContact O-N 3.45Å; A116-R120 VanDerWaalsContact O-N 3.1Å; A116-Y208 HydrophobicContact CB-CD1 3.72Å; A116-Y208 HydrophobicContact CB-CD2 3.65Å; A116-Y208 HydrophobicContact CB-CE1 3.74Å; A116-Y208 HydrophobicContact CB-CE2 3.63Å; A116-Y208 HydrophobicContact CB-CG 3.67Å
117F78.6Confident75.3Confident1 Ų134 Ų340%0.00419%0.186CC..Hα-helixtrans-66.8-33.4169.8-89-95.8000112.7F113 E114 A115 R120 N121 S159 W162 R166 L169F113-F117 VanDerWaalsContact O-CD2 3.29Å; F113-F117 WeakPolarHBondContact O-CD2 3.28Å; F113-F117 PolarHBondContact O-N 3.38Å; E114-F117 WeakPolarHBondContact O-CB 3.44Å; E114-F117 PolarHBondContact O-N 2.82Å; A115-F117 VanDerWaalsContact C-N 3.3Å; A115-F117 PolarHBondContact O-N 3.47Å; F117-R120 PolarHBondContact O-N 2.81Å; F117-N121 PolarHBondContact O-N 3.19Å; F117-S159 VanDerWaalsContact CE1-CB 3.42Å; F117-S159 VanDerWaalsContact CZ-CB 3.48Å; F117-W162 HydrophobicContact CE2-CE3 4.06Å; F117-W162 HydrophobicContact CZ-CB 4.19Å; F117-W162 HydrophobicContact CZ-CE3 4.05Å; F117-R166 HydrophobicContact CB-CG 3.82Å; F117-R166 HydrophobicContact CD1-CG 4.13Å; F117-R166 HydrophobicContact CG-CG 4.12Å; F117-L169 HydrophobicContact CD2-CD2 3.89Å; F117-L169 HydrophobicContact CE2-CB 4.3Å; F117-L169 HydrophobicContact CE2-CD2 3.76Å; F117-L169 HydrophobicContact CE2-CG 4.45Å
118E78.4Confident74Confident64 Ų6434.1 Ų34.130%0.29920%0.202SC..Hα-helixtrans-67.5-42.6173.3-168.8-177.4160.800111.3E114 A115 A116 R120 N121 R122E114-E118 PolarHBondContact O-N 2.8Å; A115-E118 WeakPolarHBondContact O-CA 3.43Å; A115-E118 VanDerWaalsContact O-CB 3.3Å; A115-E118 WeakPolarHBondContact O-CB 3.41Å; A115-E118 PolarHBondContact O-N 3.45Å; A116-E118 VanDerWaalsContact C-N 3.34Å; E118-R120 PolarHBondContact O-N 2.83Å; E118-N121 PolarHBondContact O-N 2.72Å; E118-N121 VanDerWaalsContact O-N 3.11Å; E118-R122 WeakPolarHBondContact O-CG 3.34Å; E118-R122 PolarHBondContact O-N 3.07Å; E118-R122 IonicContact OE1-CZ 3.31Å; E118-R122 VanDerWaalsContact OE1-CZ 3.31Å; E118-R122 IonicContact OE1-NE 3.19Å; E118-R122 PolarHBondContact OE1-NE 3.43Å; E118-R122 IonicContact OE1-NH2 2.7Å; E118-R122 PolarHBondContact OE1-NH2 2.96Å
119L79.1Confident72.6Confident0 Ų034 Ų340%020%0.203CC..Hα-helixtrans-54.2-44.7173-171.870.4000111.1V88 V90 A115 A116 N121 R122 T123 L232 F238 L607V88-L119 HydrophobicContact CG1-CD2 3.94Å; V90-L119 HydrophobicContact CG2-CD2 3.35Å; A115-L119 PolarHBondContact O-N 3.09Å; A116-L119 WeakPolarHBondContact O-CB 3.3Å; A116-L119 PolarHBondContact O-N 2.79Å; L119-N121 PolarHBondContact O-N 3.48Å; L119-R122 PolarHBondContact O-N 2.64Å; L119-T123 WeakPolarHBondContact O-CG2 3.41Å; L119-T123 PolarHBondContact O-N 3.29Å; L119-T123 PolarHBondContact O-OG1 2.86Å; L119-L232 HydrophobicContact CD1-CD2 3.43Å; L119-L232 VanDerWaalsContact CD1-CD2 3.43Å; L119-L232 HydrophobicContact CD1-CG 4.23Å; L119-L232 HydrophobicContact CG-CD2 4.34Å; L119-F238 HydrophobicContact CB-CE1 3.98Å; L119-F238 HydrophobicContact CB-CE2 4.16Å; L119-F238 HydrophobicContact CB-CZ 3.56Å; L119-F238 HydrophobicContact CD1-CD1 4.1Å; L119-F238 HydrophobicContact CD1-CD2 4.09Å; L119-F238 HydrophobicContact CD1-CE1 3.93Å; L119-F238 HydrophobicContact CD1-CE2 3.93Å; L119-F238 HydrophobicContact CD1-CG 4.19Å; L119-F238 HydrophobicContact CD1-CZ 3.87Å; L119-F238 HydrophobicContact CD2-CE1 4.31Å; L119-F238 HydrophobicContact CG-CE1 4.31Å; L119-F238 HydrophobicContact CG-CZ 4.24Å; L119-L607 HydrophobicContact CD1-CD1 3.55Å; L119-L607 HydrophobicContact CD2-CD1 3.9Å; L119-L607 HydrophobicContact CG-CD1 4.38Å
120R75.7Confident71.1Confident17 Ų1734.6 Ų34.66%0.06421%0.21CC..Hα-helixtrans-57.5-50.1175176.3174.7166.8-77.97.5112.4A116 F117 E118 R122 T123 T124 E137 L155 S159 H164 M210A116-R120 PolarHBondContact O-N 3.45Å; A116-R120 VanDerWaalsContact O-N 3.1Å; F117-R120 PolarHBondContact O-N 2.81Å; E118-R120 PolarHBondContact O-N 2.83Å; R120-R122 PolarHBondContact O-N 3.28Å; R120-T123 WeakPolarHBondContact CA-OG1 3.49Å; R120-T123 PolarHBondContact O-N 3.14Å; R120-T123 VanDerWaalsContact O-N 3.17Å; R120-T123 PolarHBondContact O-OG1 3.41Å; R120-T124 WeakPolarHBondContact O-CG2 3.44Å; R120-T124 PolarHBondContact O-N 3.32Å; R120-T124 PolarHBondContact O-OG1 3.01Å; R120-E137 IonicContact CZ-OE1 3.94Å; R120-E137 VanDerWaalsContact CZ-OE1 3.29Å; R120-E137 IonicContact CZ-OE2 2.9Å; R120-E137 IonicContact NE-OE1 3.29Å; R120-E137 PolarHBondContact NE-OE1 2.9Å; R120-E137 IonicContact NH2-OE1 2.73Å; R120-E137 PolarHBondContact NH2-OE1 3.38Å; R120-E137 IonicContact NH2-OE2 3Å; R120-E137 PolarHBondContact NH2-OE2 3.12Å; R120-L155 HydrophobicContact CG-CD2 3.97Å; R120-S159 WeakPolarHBondContact CD-OG 3.19Å; R120-H164 PolarHBondContact NE-ND1 3.27Å; R120-M210 HydrophobicContact CB-CE 3.6Å; R120-M210 HydrophobicContact CG-CE 3.7Å
121N74.8Confident69.1Low55 Ų5543 Ų4329%0.29425%0.247SC..Hα-helixtrans-64.5-31.4179.9-74.88.6000112.5F117 E118 L119 T124 N125 R166F117-N121 PolarHBondContact O-N 3.19Å; E118-N121 PolarHBondContact O-N 2.72Å; E118-N121 VanDerWaalsContact O-N 3.11Å; L119-N121 PolarHBondContact O-N 3.48Å; N121-T124 WeakPolarHBondContact CA-OG1 3.07Å; N121-T124 PolarHBondContact O-OG1 3.45Å; N121-N125 WeakPolarHBondContact O-CB 3.24Å; N121-N125 PolarHBondContact O-N 3.02Å; N121-N125 PolarHBondContact O-ND2 3.45Å; N121-R166 PolarHBondContact ND2-NH2 3.22Å
122R75.2Confident66.9Low60 Ų6050.6 Ų50.623%0.22628%0.282CS..Hα-helixtrans-69.8-37.5174.8-71.5-178.5-175.7-1652.3112E118 L119 R120 N125 L126 L232 K235 Q236E118-R122 WeakPolarHBondContact O-CG 3.34Å; E118-R122 PolarHBondContact O-N 3.07Å; E118-R122 IonicContact OE1-CZ 3.31Å; E118-R122 VanDerWaalsContact OE1-CZ 3.31Å; E118-R122 IonicContact OE1-NE 3.19Å; E118-R122 PolarHBondContact OE1-NE 3.43Å; E118-R122 IonicContact OE1-NH2 2.7Å; E118-R122 PolarHBondContact OE1-NH2 2.96Å; L119-R122 PolarHBondContact O-N 2.64Å; R120-R122 PolarHBondContact O-N 3.28Å; R122-N125 PolarHBondContact O-N 3.36Å; R122-L126 PolarHBondContact O-N 2.98Å; R122-L232 HydrophobicContact CB-CD1 3.73Å; R122-L232 HydrophobicContact CB-CD2 3.82Å; R122-L232 HydrophobicContact CB-CG 4.18Å; R122-L232 HydrophobicContact CG-CD1 4.48Å; R122-K235 PolarHBondContact NH1-O 2.86Å; R122-Q236 PolarHBondContact NH1-O 3.07Å; R122-Q236 PolarHBondContact NH2-O 3.13Å
123T72.7Confident64.6Low7 Ų756.5 Ų56.54%0.04332%0.323CS..Hα-helixtrans-70.4-36.5175.952.40000112.7L119 R120 N125 L126 M210 L229 L232L119-T123 WeakPolarHBondContact O-CG2 3.41Å; L119-T123 PolarHBondContact O-N 3.29Å; L119-T123 PolarHBondContact O-OG1 2.86Å; R120-T123 WeakPolarHBondContact CA-OG1 3.49Å; R120-T123 PolarHBondContact O-N 3.14Å; R120-T123 VanDerWaalsContact O-N 3.17Å; R120-T123 PolarHBondContact O-OG1 3.41Å; T123-N125 VanDerWaalsContact C-N 3.27Å; T123-N125 PolarHBondContact O-N 3.18Å; T123-L126 WeakPolarHBondContact O-CB 3.33Å; T123-L126 PolarHBondContact O-N 3.11Å; T123-M210 HydrophobicContact CG2-SD 4.26Å; T123-L229 HydrophobicContact CG2-CD2 3.56Å; T123-L232 HydrophobicContact CG2-CD2 3.69Å
124T68Low62.1Low46 Ų4660.7 Ų60.728%0.28234%0.344SS..Hα-helixtrans-66.5-29.3173.957.50000112.9R120 N121 L126 L135 L155R120-T124 WeakPolarHBondContact O-CG2 3.44Å; R120-T124 PolarHBondContact O-N 3.32Å; R120-T124 PolarHBondContact O-OG1 3.01Å; N121-T124 WeakPolarHBondContact CA-OG1 3.07Å; N121-T124 PolarHBondContact O-OG1 3.45Å; T124-L126 VanDerWaalsContact C-N 3.33Å; T124-L135 HydrophobicContact CG2-CD1 4.18Å; T124-L155 HydrophobicContact CG2-CD2 4.05Å
125N68Low59.8Low131 Ų13162.3 Ų62.370%0.70135%0.353SS*.THydrogen-bonded Turntrans-86.7-1.5179.7-71-3.2000113.7N121 R122 T123 A127N121-N125 WeakPolarHBondContact O-CB 3.24Å; N121-N125 PolarHBondContact O-N 3.02Å; N121-N125 PolarHBondContact O-ND2 3.45Å; R122-N125 PolarHBondContact O-N 3.36Å; T123-N125 VanDerWaalsContact C-N 3.27Å; T123-N125 PolarHBondContact O-N 3.18Å; N125-A127 PolarHBondContact O-N 3.36Å; N125-A127 VanDerWaalsContact O-N 3.09Å
126L65.3Low57.9Low40 Ų4064 Ų6421%0.20936%0.364CS..  trans-72.2104-176.7-154.375.8000109.9R122 T123 T124 G128 F225 A228 L229 L232R122-L126 PolarHBondContact O-N 2.98Å; T123-L126 WeakPolarHBondContact O-CB 3.33Å; T123-L126 PolarHBondContact O-N 3.11Å; T124-L126 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.36Å; L126-F225 HydrophobicContact CD2-CD2 4.16Å; L126-F225 HydrophobicContact CD2-CE2 3.96Å; L126-A228 HydrophobicContact CD1-CB 4.12Å; L126-A228 HydrophobicContact CD2-CB 3.43Å; L126-A228 VanDerWaalsContact CD2-CB 3.43Å; L126-A228 HydrophobicContact CG-CB 3.81Å; L126-L229 HydrophobicContact CD2-CG 4.33Å; L126-L232 HydrophobicContact CD1-CD1 4.45Å
127A51.3Low56Low102 Ų10267.4 Ų67.484%0.84338%0.38SS*.  trans-71.6118.5174.800000109.8N125N125-A127 PolarHBondContact O-N 3.36Å; N125-A127 VanDerWaalsContact O-N 3.09Å
128G49.6Very low53.8Low56 Ų5669.4 Ų69.458%0.57739%0.392SS*.SBendtrans176-30178.600000118.2L126L126-G128 PolarHBondContact O-N 3.36Å
129C46.4Very low51.3Low19 Ų1974.9 Ų74.913%0.12841%0.41CS..SBendtrans-123.8-28.7-179.2-94.20000116Q221C129-Q221 PolarHBondContact SG-O 3.46Å
130C45.3Very low49.1Very low47 Ų4780.3 Ų80.332%0.31845%0.446SS..  trans-120.9100.6-175.8-58.10000108.6E132 P151C130-E132 PolarHBondContact O-N 3.35Å; C130-P151 PolarHBondContact SG-O 3.35Å
131K39.3Very low46.7Very low208 Ų20884.2 Ų84.290%0.90447%0.467SS*.SBendtrans-64.6122.4162.2-75.6-180176179.60105.8
132E34.9Very low44.4Very low166 Ų16690.8 Ų90.878%0.77650%0.496SS*.SBendtrans74.4137.1-175.1-55.9175176.800114.5C130 M134C130-E132 PolarHBondContact O-N 3.35Å; E132-M134 VanDerWaalsContact C-N 3.33Å; E132-M134 PolarHBondContact O-N 2.97Å
133S35.5Very low42.1Very low125 Ų12590.6 Ų90.687%0.87451%0.512SS*.SBendtrans-51.584.4-178.251.70000112.8
134M29Very low39.9Very low95 Ų9594.4 Ų94.447%0.46854%0.539SS..  trans-127.723.4176.9-77.4-87.4-168.500111.8E132 S136E132-M134 VanDerWaalsContact C-N 3.33Å; E132-M134 PolarHBondContact O-N 2.97Å; M134-S136 PolarHBondContact O-N 3.01Å
135L33Very low38.4Very low56 Ų5698.5 Ų98.529%0.29357%0.567SS.*  trans-67.771.3148.5-90.1157.2000107.2T124 E137 C153 L155T124-L135 HydrophobicContact CG2-CD1 4.18Å; L135-E137 PolarHBondContact O-N 3.07Å; L135-C153 HydrophobicContact CD2-CB 4.31Å; L135-C153 VanDerWaalsContact CD2-O 3.29Å; L135-C153 WeakPolarHBondContact CD2-O 3.22Å; L135-L155 HydrophobicContact CD2-CB 3.99Å
136S38.4Very low36.4Very low48 Ų4897.6 Ų97.634%0.33657%0.566SS.*  trans-72.984.9175.8720000108M134 V138M134-S136 PolarHBondContact O-N 3.01Å; S136-V138 PolarHBondContact O-N 2.64Å
137E37.3Very low34.9Very low73 Ų73103.1 Ų103.134%0.34159%0.594SS.*  trans-69.8104169.3-66.5-172.9145.400108.4R120 L135R120-E137 IonicContact CZ-OE1 3.94Å; R120-E137 VanDerWaalsContact CZ-OE1 3.29Å; R120-E137 IonicContact CZ-OE2 2.9Å; R120-E137 IonicContact NE-OE1 3.29Å; R120-E137 PolarHBondContact NE-OE1 2.9Å; R120-E137 IonicContact NH2-OE1 2.73Å; R120-E137 PolarHBondContact NH2-OE1 3.38Å; R120-E137 IonicContact NH2-OE2 3Å; R120-E137 PolarHBondContact NH2-OE2 3.12Å; L135-E137 PolarHBondContact O-N 3.07Å
138V33Very low34.1Very low42 Ų42102.3 Ų102.326%0.25558%0.582SS.*  trans-140.9109.5-178.7-170.80000112.9S136 L141 R590S136-V138 PolarHBondContact O-N 2.64Å; V138-L141 HydrophobicContact CG1-CB 3.85Å; V138-L141 HydrophobicContact CG1-CD1 3.4Å; V138-L141 VanDerWaalsContact CG1-CD1 3.4Å; V138-L141 HydrophobicContact CG1-CG 4.22Å; V138-L141 HydrophobicContact CG2-CD1 4.36Å; V138-R590 PolarHBondContact O-NH1 3.16Å; V138-R590 PolarHBondContact O-NH2 3.23Å
139W25.9Very low33.6Very low179 Ų179106.6 Ų106.668%0.67860%0.597SS**SBendtrans-82.2141.3137.4-114.5-19.1000108.7
140P32.1Very low33.6Very low115 Ų115107.6 Ų107.675%0.74761%0.61SS**  -84.9129.5-95.634.3-24.5000112
141L25.5Very low33.9Very low99 Ų99106.8 Ų106.852%0.51861%0.605SS.*  trans-110.9119.8163.1-87.494.4000108.4V138 G143 E644V138-L141 HydrophobicContact CG1-CB 3.85Å; V138-L141 HydrophobicContact CG1-CD1 3.4Å; V138-L141 VanDerWaalsContact CG1-CD1 3.4Å; V138-L141 HydrophobicContact CG1-CG 4.22Å; V138-L141 HydrophobicContact CG2-CD1 4.36Å; L141-G143 VanDerWaalsContact C-N 3.28Å; L141-G143 PolarHBondContact O-N 2.99Å; L141-G143 VanDerWaalsContact O-N 3.14Å; L141-E644 WeakPolarHBondContact CD2-OE1 3Å
142H25.9Very low35Very low193 Ų19398.7 Ų98.789%0.89457%0.572SS**  trans-68.393.3147.8-80.8-79.7000107.2
143G27.3Very low36.3Very low55 Ų5591 Ų9157%0.56754%0.537SS*.  trans-124117.5171.600000109.2L141L141-G143 VanDerWaalsContact C-N 3.28Å; L141-G143 PolarHBondContact O-N 2.99Å; L141-G143 VanDerWaalsContact O-N 3.14Å
144S26.4Very low37.8Very low87 Ų8787.1 Ų87.161%0.60850%0.503SS*.  trans11.2123.1167.954.80000119T146S144-T146 PolarHBondContact O-N 3.04Å
145P36.4Very low39.7Very low133 Ų13383.9 Ų83.986%0.86449%0.487SS*.  trans-77.472.2167.635-31.5000109.2
146T27.7Very low41.5Very low111 Ų11182.9 Ų82.968%0.68148%0.482SS*.  trans-109.687.1167.950.60000108.4S144 S148S144-T146 PolarHBondContact O-N 3.04Å; T146-S148 PolarHBondContact O-N 3.36Å
147I32.7Very low43.1Very low156 Ų15680.8 Ų80.880%0.847%0.468SS*.  trans-9.9103.8157.1-56.3160000113.3V149I147-V149 HydrophobicContact CG2-CG2 3.77Å
148S34.8Very low44.6Very low85 Ų8577.8 Ų77.859%0.59446%0.455SS*.  trans-127.9112149.272.30000107.9T146 G150T146-S148 PolarHBondContact O-N 3.36Å; S148-G150 PolarHBondContact O-N 3.35Å
149V39.7Very low46.1Very low147 Ų14775.8 Ų75.889%0.89144%0.443SS*.  trans-81.359.2-169.7-170.70000110.7I147I147-V149 HydrophobicContact CG2-CG2 3.77Å
150G44.9Very low47.9Very low40 Ų4068.7 Ų68.741%0.41243%0.425SS..SBendtrans-112.4156.5175.600000112.4S148 T152S148-G150 PolarHBondContact O-N 3.35Å; G150-T152 PolarHBondContact O-N 2.9Å
151P53.4Low49.4Very low30 Ų3066.2 Ų66.220%0.19541%0.405CS..PPolyproline II helixtrans-63.7122.1177.125.7-32.9000110.4C130 I215 A217C130-P151 PolarHBondContact SG-O 3.35Å; P151-I215 CarbonylContact C-O 3.52Å; P151-I215 VanDerWaalsContact CA-O 3.23Å; P151-I215 WeakPolarHBondContact CA-O 3.32Å; P151-A217 HydrophobicContact CB-CB 3.88Å
152T60.5Low51.4Low37 Ų3761.7 Ų61.723%0.22738%0.381CS..EExtended strand (participates in β ladder)trans-95.7117.3178.757.20000109.5G150 I215G150-T152 PolarHBondContact O-N 2.9Å; T152-I215 PolarHBondContact N-O 3.27Å; T152-I215 PolarHBondContact O-N 3.01Å
153C63.2Low53.3Low5 Ų557.9 Ų57.93%0.03437%0.367CS..EExtended strand (participates in β ladder)trans-93129.9172.1-173.30000108.9L135 V212 M213L135-C153 HydrophobicContact CD2-CB 4.31Å; L135-C153 VanDerWaalsContact CD2-O 3.29Å; L135-C153 WeakPolarHBondContact CD2-O 3.22Å; C153-V212 WeakPolarHBondContact SG-CG1 3.09Å; C153-M213 CarbonylContact C-O 3.57Å
154R67.2Low55.1Low44 Ų4458.3 Ų58.317%0.16636%0.355CS..EExtended strand (participates in β ladder)trans-129.4135.8-177.9-70.7-173.8172.5162.5-1110.4V212 M213R154-V212 CarbonylContact O-C 3.55Å; R154-V212 WeakPolarHBondContact O-CA 3.27Å; R154-M213 PolarHBondContact N-O 2.88Å; R154-M213 PolarHBondContact O-N 3.44Å
155L69.5Low57.2Low26 Ų2656.2 Ų56.214%0.13634%0.34CS..EExtended strand (participates in β ladder)trans-116126.3-170.1-169.158.5000111R120 T124 L135 M210 V212R120-L155 HydrophobicContact CG-CD2 3.97Å; T124-L155 HydrophobicContact CG2-CD2 4.05Å; L135-L155 HydrophobicContact CD2-CB 3.99Å; L155-M210 HydrophobicContact CD1-CE 3.4Å; L155-M210 HydrophobicContact CD1-CG 3.53Å; L155-M210 HydrophobicContact CD1-SD 3.59Å; L155-M210 VanDerWaalsContact CD1-SD 3.59Å; L155-M210 HydrophobicContact CD2-CE 3.48Å; L155-M210 VanDerWaalsContact CD2-CE 3.48Å; L155-M210 HydrophobicContact CG-CE 3.58Å; L155-M210 HydrophobicContact CG-CG 4.44Å; L155-M210 HydrophobicContact CG-SD 4.43Å; L155-V212 HydrophobicContact CD1-CB 4.36Å; L155-V212 HydrophobicContact CD1-CG2 3.53Å
156L70.2Confident59.1Low36 Ų3654 Ų5419%0.18831%0.314CS..EExtended strand (participates in β ladder)trans-119.7120.7175.6-17666.4000109.4L191 L192 M210 T211 F586L156-L191 HydrophobicContact CD2-CD1 4.04Å; L156-L191 HydrophobicContact CD2-CD2 3.24Å; L156-L191 HydrophobicContact CD2-CG 3.37Å; L156-L192 HydrophobicContact CD1-CD2 4.39Å; L156-L192 HydrophobicContact CG-CD2 4.49Å; L156-M210 CarbonylContact O-C 3.59Å; L156-M210 WeakPolarHBondContact O-CA 3.29Å; L156-T211 PolarHBondContact N-O 2.84Å; L156-T211 PolarHBondContact O-N 3.33Å; L156-F586 HydrophobicContact CD1-CE2 4.4Å; L156-F586 HydrophobicContact CD2-CE2 4.41Å
157S71.4Confident61.4Low4 Ų453.6 Ų53.63%0.02830%0.304CS..  trans-149.7155.6-179.362.30000112.3S159 G160 Y208S157-S159 PolarHBondContact O-N 3.14Å; S157-S159 PolarHBondContact OG-OG 2.79Å; S157-G160 PolarHBondContact O-N 2.85Å; S157-G160 VanDerWaalsContact O-N 3.12Å; S157-Y208 WeakPolarHBondContact CB-OH 3.39Å
158P69.1Low63.3Low10 Ų1048 Ų487%0.06528%0.277CS..G310 helixtrans-53.2-21.7173.7-28.333000114.5F113 G160 L161 W162 L192 Y208 A209F113-P158 HydrophobicContact CE1-CB 4.12Å; P158-G160 PolarHBondContact O-N 2.97Å; P158-L161 WeakPolarHBondContact O-CB 3.37Å; P158-L161 PolarHBondContact O-N 3.4Å; P158-W162 WeakPolarHBondContact O-CZ3 3.48Å; P158-L192 HydrophobicContact CG-CB 4.31Å; P158-L192 WeakPolarHBondContact CG-O 3.41Å; P158-Y208 HydrophobicContact CB-CD2 4.06Å; P158-Y208 HydrophobicContact CB-CE2 3.66Å; P158-Y208 HydrophobicContact CG-CD2 3.71Å; P158-Y208 HydrophobicContact CG-CE2 3.57Å; P158-Y208 HydrophobicContact CG-CG 4.49Å; P158-A209 WeakPolarHBondContact CD-O 3.37Å
159S65.5Low65.3Low0 Ų044 Ų440%025%0.249CC..G310 helixtrans-56.3-24.2176.970.70000113.8F117 R120 S157 L161 W162 H164F117-S159 VanDerWaalsContact CE1-CB 3.42Å; F117-S159 VanDerWaalsContact CZ-CB 3.48Å; R120-S159 WeakPolarHBondContact CD-OG 3.19Å; S157-S159 PolarHBondContact O-N 3.14Å; S157-S159 PolarHBondContact OG-OG 2.79Å; S159-L161 PolarHBondContact O-N 2.78Å; S159-W162 PolarHBondContact O-N 2.75Å; S159-W162 VanDerWaalsContact O-N 3.16Å; S159-H164 PolarHBondContact O-N 3.15Å; S159-H164 PolarHBondContact OG-ND1 3.34Å
160G63.2Low67.1Low30 Ų3037.9 Ų37.931%0.30921%0.211SC..G310 helixtrans-62-22.3174.200000113.9S157 P158 W162 N163 H164S157-G160 PolarHBondContact O-N 2.85Å; S157-G160 VanDerWaalsContact O-N 3.12Å; P158-G160 PolarHBondContact O-N 2.97Å; G160-W162 PolarHBondContact O-N 3.45Å; G160-N163 PolarHBondContact O-N 2.99Å; G160-H164 VanDerWaalsContact CA-CE1 3.46Å; G160-H164 WeakPolarHBondContact CA-CE1 3.18Å
161L63.8Low68.6Low62 Ų6236.1 Ų36.133%0.32519%0.193SC..G310 helixtrans-64.8-30176.2-137.192000112.4P158 S159 S178 L192P158-L161 WeakPolarHBondContact O-CB 3.37Å; P158-L161 PolarHBondContact O-N 3.4Å; S159-L161 PolarHBondContact O-N 2.78Å; L161-S178 WeakPolarHBondContact CD2-O 3.14Å; L161-L192 HydrophobicContact CD1-CD1 4.49Å
162W67.9Low69.6Low4 Ų435.1 Ų35.12%0.01519%0.186CC..G310 helixtrans-110.929179-56.3-86.1000112.2F113 F117 P158 S159 G160 H164 S165 V168 L169 D172 F175 L179F113-W162 HydrophobicContact CD1-CH2 4.05Å; F113-W162 AromaticContact CD1-CZ3 3.96Å; F113-W162 HydrophobicContact CD1-CZ3 3.96Å; F113-W162 HydrophobicContact CE1-CH2 4.13Å; F113-W162 HydrophobicContact CE1-CZ3 4.2Å; F117-W162 HydrophobicContact CE2-CE3 4.06Å; F117-W162 HydrophobicContact CZ-CB 4.19Å; F117-W162 HydrophobicContact CZ-CE3 4.05Å; P158-W162 WeakPolarHBondContact O-CZ3 3.48Å; S159-W162 PolarHBondContact O-N 2.75Å; S159-W162 VanDerWaalsContact O-N 3.16Å; G160-W162 PolarHBondContact O-N 3.45Å; W162-H164 PolarHBondContact O-N 3.27Å; W162-H164 VanDerWaalsContact O-N 3.15Å; W162-S165 PolarHBondContact O-N 3.29Å; W162-S165 VanDerWaalsContact O-N 3.14Å; W162-V168 HydrophobicContact CB-CB 4.33Å; W162-V168 HydrophobicContact CB-CG1 4.1Å; W162-L169 HydrophobicContact CB-CB 4.39Å; W162-L169 HydrophobicContact CD2-CB 4.45Å; W162-L169 HydrophobicContact CD2-CD1 3.66Å; W162-L169 VanDerWaalsContact CE2-CD1 3.48Å; W162-L169 HydrophobicContact CE3-CD1 4.07Å; W162-L169 HydrophobicContact CG-CB 4.14Å; W162-L169 HydrophobicContact CG-CD1 4.14Å; W162-L169 HydrophobicContact CH2-CD1 4.14Å; W162-L169 HydrophobicContact CZ2-CD1 3.76Å; W162-L169 HydrophobicContact CZ3-CD1 4.29Å; W162-D172 PolarHBondContact NE1-OD2 2.81Å; W162-F175 HydrophobicContact CH2-CD2 4.48Å; W162-F175 HydrophobicContact CH2-CE2 4.3Å; W162-F175 AromaticContact CZ2-CD2 3.79Å; W162-F175 HydrophobicContact CZ2-CD2 3.79Å; W162-F175 HydrophobicContact CZ2-CE2 4.06Å; W162-L179 HydrophobicContact CH2-CD1 3.87Å; W162-L179 HydrophobicContact CH2-CG 4.13Å; W162-L179 HydrophobicContact CZ2-CD1 4.02Å
163N64.5Low70.2Confident114 Ų11442.9 Ų42.961%0.6121%0.211SC*.THydrogen-bonded Turntrans51.638.4178.6-162.733.4000113.6G160 S165G160-N163 PolarHBondContact O-N 2.99Å; N163-S165 PolarHBondContact O-N 3.02Å
164H65.5Low70.5Confident64 Ų6450.7 Ų50.730%0.29624%0.24SC..THydrogen-bonded Turntrans58.814178.5-51.5-64.9000115.6R120 S159 G160 W162R120-H164 PolarHBondContact NE-ND1 3.27Å; S159-H164 PolarHBondContact O-N 3.15Å; S159-H164 PolarHBondContact OG-ND1 3.34Å; G160-H164 VanDerWaalsContact CA-CE1 3.46Å; G160-H164 WeakPolarHBondContact CA-CE1 3.18Å; W162-H164 PolarHBondContact O-N 3.27Å; W162-H164 VanDerWaalsContact O-N 3.15Å
165S70.4Confident70.5Confident43 Ų4348.9 Ų48.930%0.30123%0.233SC..  trans-104.7124.8178.8177.70000112.3W162 N163 H167 V168 L169W162-S165 PolarHBondContact O-N 3.29Å; W162-S165 VanDerWaalsContact O-N 3.14Å; N163-S165 PolarHBondContact O-N 3.02Å; S165-H167 PolarHBondContact O-N 3.4Å; S165-H167 PolarHBondContact OG-N 2.98Å; S165-V168 PolarHBondContact O-N 3.03Å; S165-V168 PolarHBondContact OG-N 3.29Å; S165-L169 PolarHBondContact O-N 3Å
166R76.6Confident70.3Confident86 Ų8649.9 Ų49.933%0.32524%0.241SC..Hα-helixtrans-60.4-36.8171.4-59.3-175.5-154.9168.93.9111.5F117 N121 V168 L169 L170F117-R166 HydrophobicContact CB-CG 3.82Å; F117-R166 HydrophobicContact CD1-CG 4.13Å; F117-R166 HydrophobicContact CG-CG 4.12Å; N121-R166 PolarHBondContact ND2-NH2 3.22Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 3.06Å; R166-L169 PolarHBondContact O-N 3.07Å; R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.02Å; R166-L170 PolarHBondContact O-N 2.88Å
167H75.6Confident70.2Confident103 Ų10353.8 Ų53.848%0.47726%0.262SS..Hα-helixtrans-65.6-36.6-179.3-169.7-67.8000111.8S165 L170 A171S165-H167 PolarHBondContact O-N 3.4Å; S165-H167 PolarHBondContact OG-N 2.98Å; H167-L170 PolarHBondContact O-N 2.93Å; H167-A171 VanDerWaalsContact O-CB 3.29Å; H167-A171 WeakPolarHBondContact O-CB 3.1Å; H167-A171 PolarHBondContact O-N 2.89Å
168V73.7Confident69.7Low38 Ų3854.8 Ų54.823%0.2327%0.27CS..Hα-helixtrans-70.7-38.3178.7178.40000111W162 S165 R166 A171 D172 I631W162-V168 HydrophobicContact CB-CB 4.33Å; W162-V168 HydrophobicContact CB-CG1 4.1Å; S165-V168 PolarHBondContact O-N 3.03Å; S165-V168 PolarHBondContact OG-N 3.29Å; R166-V168 VanDerWaalsContact C-N 3.32Å; R166-V168 PolarHBondContact O-N 3.06Å; V168-A171 PolarHBondContact O-N 2.81Å; V168-D172 PolarHBondContact O-N 3.49Å; V168-D172 VanDerWaalsContact O-N 3.13Å; V168-I631 HydrophobicContact CG1-CD1 3.86Å; V168-I631 HydrophobicContact CG1-CG1 4.44Å
169L76.6Confident69.3Low1 Ų156.5 Ų56.51%0.00528%0.278CS..Hα-helixtrans-59.8-47.5171.3175.571.8000111.4F113 F117 W162 S165 R166 A171 D172 F175F113-L169 HydrophobicContact CB-CD1 4.47Å; F113-L169 HydrophobicContact CB-CD2 3.88Å; F117-L169 HydrophobicContact CD2-CD2 3.89Å; F117-L169 HydrophobicContact CE2-CB 4.3Å; F117-L169 HydrophobicContact CE2-CD2 3.76Å; F117-L169 HydrophobicContact CE2-CG 4.45Å; W162-L169 HydrophobicContact CB-CB 4.39Å; W162-L169 HydrophobicContact CD2-CB 4.45Å; W162-L169 HydrophobicContact CD2-CD1 3.66Å; W162-L169 VanDerWaalsContact CE2-CD1 3.48Å; W162-L169 HydrophobicContact CE3-CD1 4.07Å; W162-L169 HydrophobicContact CG-CB 4.14Å; W162-L169 HydrophobicContact CG-CD1 4.14Å; W162-L169 HydrophobicContact CH2-CD1 4.14Å; W162-L169 HydrophobicContact CZ2-CD1 3.76Å; W162-L169 HydrophobicContact CZ3-CD1 4.29Å; S165-L169 PolarHBondContact O-N 3Å; R166-L169 PolarHBondContact O-N 3.07Å; L169-A171 VanDerWaalsContact C-N 3.27Å; L169-A171 PolarHBondContact O-N 3.27Å; L169-D172 PolarHBondContact O-N 3.24Å; L169-F175 HydrophobicContact CD1-CD2 4.15Å; L169-F175 HydrophobicContact CD1-CE2 4.25Å
170L77.1Confident68.9Low18 Ų1860.3 Ų60.39%0.09430%0.295CS..Hα-helixtrans-66.2-30.7-178.7-66.9168.6000112.6R166 H167 M619 R622 T623 A626R166-L170 VanDerWaalsContact O-CG 3.26Å; R166-L170 WeakPolarHBondContact O-CG 3.02Å; R166-L170 PolarHBondContact O-N 2.88Å; H167-L170 PolarHBondContact O-N 2.93Å; L170-M619 HydrophobicContact CD2-CG 4.01Å; L170-R622 HydrophobicContact CD1-CB 4.11Å; L170-T623 HydrophobicContact CB-CG2 4.17Å; L170-T623 HydrophobicContact CD2-CG2 3.45Å; L170-T623 VanDerWaalsContact CD2-CG2 3.45Å; L170-T623 HydrophobicContact CG-CG2 4.41Å; L170-A626 HydrophobicContact CB-CB 4.35Å
171A75.8Confident68.2Low4 Ų463.7 Ų63.73%0.03331%0.314CS..Hα-helixtrans-81.1-14.9177.100000114H167 V168 L169 R173 V629H167-A171 VanDerWaalsContact O-CB 3.29Å; H167-A171 WeakPolarHBondContact O-CB 3.1Å; H167-A171 PolarHBondContact O-N 2.89Å; V168-A171 PolarHBondContact O-N 2.81Å; L169-A171 VanDerWaalsContact C-N 3.27Å; L169-A171 PolarHBondContact O-N 3.27Å; A171-R173 PolarHBondContact O-N 3.01Å; A171-R173 VanDerWaalsContact O-N 3.13Å; A171-V629 HydrophobicContact CB-CB 3.97Å; A171-V629 HydrophobicContact CB-CG2 3.95Å
172D74.2Confident67.4Low8 Ų866.3 Ų66.34%0.04332%0.323CS..  trans-72.7103.6-176.5-174.75.1000112R110 W162 V168 L169 R174 F175 S178 I631R110-D172 PolarHBondContact NH2-O 3.1Å; R110-D172 VanDerWaalsContact NH2-O 3.11Å; W162-D172 PolarHBondContact NE1-OD2 2.81Å; V168-D172 PolarHBondContact O-N 3.49Å; V168-D172 VanDerWaalsContact O-N 3.13Å; L169-D172 PolarHBondContact O-N 3.24Å; D172-R174 VanDerWaalsContact C-N 3.35Å; D172-R174 WeakPolarHBondContact OD1-CA 3.19Å; D172-R174 WeakPolarHBondContact OD1-CB 3.25Å; D172-R174 PolarHBondContact OD1-N 3.41Å; D172-F175 HydrophobicContact CB-CB 4.46Å; D172-F175 PolarHBondContact OD1-N 3.28Å; D172-S178 PolarHBondContact OD2-OG 2.75Å; D172-I631 HydrophobicContact CB-CD1 4.06Å
173R73.3Confident66Low200 Ų20073.8 Ų73.876%0.75536%0.356SS*.THydrogen-bonded Turntrans-73-21.7174.1-70.8-168.5175.1-174.70.7114A171 F175A171-R173 PolarHBondContact O-N 3.01Å; A171-R173 VanDerWaalsContact O-N 3.13Å; R173-F175 VanDerWaalsContact C-N 3.3Å
174R68.6Low64.8Low169 Ų16972.3 Ų72.364%0.63837%0.367SS*.THydrogen-bonded Turntrans-82.2-9.4-179-65.8-174.2-177.6-174.92.2112.7D172 N177 S178D172-R174 VanDerWaalsContact C-N 3.35Å; D172-R174 WeakPolarHBondContact OD1-CA 3.19Å; D172-R174 WeakPolarHBondContact OD1-CB 3.25Å; D172-R174 PolarHBondContact OD1-N 3.41Å; R174-N177 WeakPolarHBondContact O-CA 3.45Å; R174-N177 WeakPolarHBondContact O-CB 3.23Å; R174-N177 PolarHBondContact O-N 2.71Å; R174-S178 PolarHBondContact O-N 3.32Å
175F68.4Low63.6Low7 Ų771.1 Ų71.13%0.03137%0.369CS..THydrogen-bonded Turntrans-61129.4172.9-176.6-81.6000110.8M109 R110 F113 W162 L169 D172 R173 L179M109-F175 HydrophobicContact CB-CE1 3.93Å; M109-F175 HydrophobicContact CB-CZ 4.06Å; M109-F175 HydrophobicContact CE-CZ 4.12Å; M109-F175 HydrophobicContact CG-CE1 3.98Å; M109-F175 HydrophobicContact CG-CZ 3.66Å; M109-F175 HydrophobicContact SD-CE1 3.82Å; M109-F175 HydrophobicContact SD-CZ 3.63Å; R110-F175 HydrophobicContact CB-CE1 4.27Å; R110-F175 HydrophobicContact CG-CD1 3.31Å; R110-F175 HydrophobicContact CG-CE1 3.3Å; R110-F175 HydrophobicContact CG-CG 3.98Å; R110-F175 HydrophobicContact CG-CZ 3.95Å; R110-F175 PolarHBondContact NH2-O 2.9Å; F113-F175 HydrophobicContact CD2-CE2 4.21Å; F113-F175 HydrophobicContact CD2-CZ 4.03Å; F113-F175 HydrophobicContact CE2-CZ 4.47Å; F113-F175 HydrophobicContact CG-CE2 4.43Å; W162-F175 HydrophobicContact CH2-CD2 4.48Å; W162-F175 HydrophobicContact CH2-CE2 4.3Å; W162-F175 AromaticContact CZ2-CD2 3.79Å; W162-F175 HydrophobicContact CZ2-CD2 3.79Å; W162-F175 HydrophobicContact CZ2-CE2 4.06Å; L169-F175 HydrophobicContact CD1-CD2 4.15Å; L169-F175 HydrophobicContact CD1-CE2 4.25Å; D172-F175 HydrophobicContact CB-CB 4.46Å; D172-F175 PolarHBondContact OD1-N 3.28Å; R173-F175 VanDerWaalsContact C-N 3.3Å; F175-L179 HydrophobicContact CD2-CD1 3.99Å; F175-L179 HydrophobicContact CE2-CD1 3.65Å; F175-L179 HydrophobicContact CZ-CD1 4.47Å
176P64.4Low62.3Low46 Ų4677.2 Ų77.230%0.29939%0.386SS..THydrogen-bonded Turncis-94.9-2.715.634.8-35.1000116.7M109 S178 L179M109-P176 HydrophobicContact CE-CB 4.25Å; M109-P176 HydrophobicContact SD-CB 3.63Å; M109-P176 HydrophobicContact SD-CG 4.5Å; P176-S178 PolarHBondContact O-N 3.35Å; P176-S178 VanDerWaalsContact O-N 3.1Å; P176-L179 WeakPolarHBondContact O-CD1 3.36Å; P176-L179 PolarHBondContact O-N 3.39Å; P176-L179 VanDerWaalsContact O-N 3.16Å
177N68.1Low60.8Low118 Ų11875.5 Ų75.563%0.63139%0.387SS*.G310 helixtrans-60.5-25.3-175.7-62.9-17.8000113.9R174 L179 H180 S181R174-N177 WeakPolarHBondContact O-CA 3.45Å; R174-N177 WeakPolarHBondContact O-CB 3.23Å; R174-N177 PolarHBondContact O-N 2.71Å; N177-L179 PolarHBondContact O-N 3Å; N177-H180 PolarHBondContact O-N 3.14Å; N177-S181 PolarHBondContact O-N 2.9Å
178S62.6Low59.5Low26 Ų2676.2 Ų76.218%0.18239%0.389CS..G310 helixtrans-54.3-33.9175.9-56.70000113L161 D172 R174 P176 H180L161-S178 WeakPolarHBondContact CD2-O 3.14Å; D172-S178 PolarHBondContact OD2-OG 2.75Å; R174-S178 PolarHBondContact O-N 3.32Å; P176-S178 PolarHBondContact O-N 3.35Å; P176-S178 VanDerWaalsContact O-N 3.1Å; S178-H180 PolarHBondContact O-N 2.97Å
179L60.1Low58.2Low46 Ų4675.9 Ų75.924%0.24139%0.393CS..G310 helixtrans-67-34.7177.5-76.599.4000112.7M109 F113 W162 F175 P176 N177M109-L179 HydrophobicContact CE-CD1 4.16Å; M109-L179 HydrophobicContact CE-CD2 4.45Å; F113-L179 HydrophobicContact CE1-CD2 4.04Å; F113-L179 HydrophobicContact CE2-CD2 4.41Å; F113-L179 HydrophobicContact CZ-CD2 3.57Å; W162-L179 HydrophobicContact CH2-CD1 3.87Å; W162-L179 HydrophobicContact CH2-CG 4.13Å; W162-L179 HydrophobicContact CZ2-CD1 4.02Å; F175-L179 HydrophobicContact CD2-CD1 3.99Å; F175-L179 HydrophobicContact CE2-CD1 3.65Å; F175-L179 HydrophobicContact CZ-CD1 4.47Å; P176-L179 WeakPolarHBondContact O-CD1 3.36Å; P176-L179 PolarHBondContact O-N 3.39Å; P176-L179 VanDerWaalsContact O-N 3.16Å; N177-L179 PolarHBondContact O-N 3Å
180H55.7Low57Low79 Ų7977 Ų7737%0.36640%0.398SS..THydrogen-bonded Turntrans-88.7-15.9-176.8-64.9-67000114N177 S178 K182 K183N177-H180 PolarHBondContact O-N 3.14Å; S178-H180 PolarHBondContact O-N 2.97Å; H180-K182 PolarHBondContact O-N 3.21Å; H180-K182 VanDerWaalsContact O-N 3.11Å; H180-K183 WeakPolarHBondContact O-CG 3.44Å; H180-K183 PolarHBondContact O-N 2.83Å
181S49.9Very low55.8Low101 Ų10177 Ų7771%0.70640%0.398SS*.THydrogen-bonded Turntrans-61.2-22.8-173.8170.30000114.2N177 K183N177-S181 PolarHBondContact O-N 2.9Å; S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 2.81Å
182K47.2Very low54.7Low117 Ų11778.7 Ų78.751%0.50941%0.406SS..THydrogen-bonded Turntrans-91.937.7176.8-74.2-172.6178.5172.60113.4H180 G184 A185H180-K182 PolarHBondContact O-N 3.21Å; H180-K182 VanDerWaalsContact O-N 3.11Å; K182-G184 PolarHBondContact O-N 3.44Å; K182-A185 PolarHBondContact O-N 2.93Å
183K37.6Very low53.8Low162 Ų16280.4 Ų80.470%0.70442%0.415SS*.THydrogen-bonded Turntrans-55.8-10.9172.3-92.4178179.2-172.20115.1H180 S181H180-K183 WeakPolarHBondContact O-CG 3.44Å; H180-K183 PolarHBondContact O-N 2.83Å; S181-K183 VanDerWaalsContact C-N 3.3Å; S181-K183 PolarHBondContact O-N 2.81Å
184G39.2Very low52.6Low82 Ų8271.5 Ų71.585%0.84539%0.386SS*.THydrogen-bonded Turntrans-83.8-2.1177.700000116.3K182K182-G184 PolarHBondContact O-N 3.44Å
185A41.3Very low51.5Low40 Ų4064.8 Ų64.833%0.33137%0.369SS..  trans-136.176.5179.200000110.5K182 C187 K188 G189K182-A185 PolarHBondContact O-N 2.93Å; A185-C187 VanDerWaalsContact C-N 3.27Å; A185-C187 PolarHBondContact O-N 3.24Å; A185-C187 VanDerWaalsContact O-N 3.16Å; A185-K188 HydrophobicContact CB-CB 4.19Å; A185-K188 HydrophobicContact CB-CD 4.33Å; A185-K188 PolarHBondContact O-N 3.35Å; A185-G189 PolarHBondContact O-N 3.08Å
186Y42.2Very low50.2Low171 Ų17166.6 Ų66.667%0.67138%0.38SS*.Hα-helixtrans-44.1-46.5-178.3-81.9-94.7000113.1K188 G189 E190Y186-K188 VanDerWaalsContact C-N 3.34Å; Y186-K188 PolarHBondContact O-N 2.87Å; Y186-G189 PolarHBondContact O-N 2.95Å; Y186-E190 PolarHBondContact O-N 3.28Å
187C45.9Very low48.9Very low50 Ų5072 Ų7234%0.33840%0.402SS..Hα-helixtrans-58.9-34176.5-109.70000114.8A185 L191 C582A185-C187 VanDerWaalsContact C-N 3.27Å; A185-C187 PolarHBondContact O-N 3.24Å; A185-C187 VanDerWaalsContact O-N 3.16Å; C187-L191 VanDerWaalsContact O-CB 3.23Å; C187-L191 WeakPolarHBondContact O-CB 3.08Å; C187-L191 PolarHBondContact O-N 2.97Å; C187-C582 VanDerWaalsContact CA-SG 3.56Å; C187-C582 HydrophobicContact CB-CB 4.2Å; C187-C582 WeakPolarHBondContact CB-SG 3.27Å; C187-C582 WeakPolarHBondContact SG-CB 3.49Å; C187-C582 CovalentContact SG-SG 2.07Å; C187-C582 PolarHBondContact SG-SG 2.58Å
188K46.7Very low47.6Very low117 Ų11770.7 Ų70.751%0.50939%0.394SS..Hα-helixtrans-79.6-29.9-176.9-82.2178.7-179.5166.10112.2A185 Y186 L192A185-K188 HydrophobicContact CB-CB 4.19Å; A185-K188 HydrophobicContact CB-CD 4.33Å; A185-K188 PolarHBondContact O-N 3.35Å; Y186-K188 VanDerWaalsContact C-N 3.34Å; Y186-K188 PolarHBondContact O-N 2.87Å; K188-L192 VanDerWaalsContact O-CD1 3.24Å; K188-L192 WeakPolarHBondContact O-CD1 3.48Å; K188-L192 WeakPolarHBondContact O-CG 3.42Å
189G47.9Very low46.3Very low31 Ų3171.8 Ų71.832%0.3240%0.4SS..Hα-helixtrans-71.2-49.317800000111.8A185 Y186 L192 I193A185-G189 PolarHBondContact O-N 3.08Å; Y186-G189 PolarHBondContact O-N 2.95Å; G189-L192 PolarHBondContact O-N 3.43Å; G189-I193 PolarHBondContact O-N 3.41Å; G189-I193 VanDerWaalsContact O-N 3.08Å
190E50.3Low45.2Very low26 Ų2677.9 Ų77.912%0.12142%0.424CS..Hα-helixtrans-66.5-40.2-178.3-68.7-178.2175.500112.5Y186 L192 I193 G194Y186-E190 PolarHBondContact O-N 3.28Å; E190-L192 PolarHBondContact O-N 2.97Å; E190-I193 PolarHBondContact O-N 2.87Å; E190-G194 PolarHBondContact O-N 3.14Å
191L52Low44.5Very low16 Ų1681.1 Ų81.18%0.08444%0.443CS..Hα-helixtrans-63.4-26.7175.9-174.365.3000113L156 C187 L579 W583L156-L191 HydrophobicContact CD2-CD1 4.04Å; L156-L191 HydrophobicContact CD2-CD2 3.24Å; L156-L191 HydrophobicContact CD2-CG 3.37Å; C187-L191 VanDerWaalsContact O-CB 3.23Å; C187-L191 WeakPolarHBondContact O-CB 3.08Å; C187-L191 PolarHBondContact O-N 2.97Å; L191-L579 HydrophobicContact CD1-CD1 3.92Å; L191-W583 VanDerWaalsContact CD1-CD1 3.42Å
192L52.8Low44Very low40 Ų4081.4 Ų81.421%0.20944%0.441CS..Hα-helixtrans-85.1-31176.9-70.1171.9000112.6L156 P158 L161 K188 G189 E190L156-L192 HydrophobicContact CD1-CD2 4.39Å; L156-L192 HydrophobicContact CG-CD2 4.49Å; P158-L192 HydrophobicContact CG-CB 4.31Å; P158-L192 WeakPolarHBondContact CG-O 3.41Å; L161-L192 HydrophobicContact CD1-CD1 4.49Å; K188-L192 VanDerWaalsContact O-CD1 3.24Å; K188-L192 WeakPolarHBondContact O-CD1 3.48Å; K188-L192 WeakPolarHBondContact O-CG 3.42Å; G189-L192 PolarHBondContact O-N 3.43Å; E190-L192 PolarHBondContact O-N 2.97Å
193I54.8Low43.8Very low45 Ų4581 Ų8123%0.23144%0.444CS..Hα-helixtrans-93.2-19.4-177.3-63.1161.9000111.6G189 E190 A209G189-I193 PolarHBondContact O-N 3.41Å; G189-I193 VanDerWaalsContact O-N 3.08Å; E190-I193 PolarHBondContact O-N 2.87Å; I193-A209 VanDerWaalsContact O-CB 3.28Å; I193-A209 WeakPolarHBondContact O-CB 3.46Å
194G48Very low44.5Very low13 Ų1376 Ų7613%0.13443%0.427CS..THydrogen-bonded Turntrans71.525.117100000115.6E190E190-G194 PolarHBondContact O-N 3.14Å
195G47.1Very low45.4Very low27 Ų2777 Ų7728%0.27841%0.41SS..SBendtrans-162.6149.6173.400000109.9E197G195-E197 VanDerWaalsContact C-N 3.26Å
196T40.3Very low46.5Very low45 Ų4577.7 Ų77.728%0.27640%0.404SS..SBendtrans-72.3-24.6174.950.80000111.5I198 P575 N576T196-I198 VanDerWaalsContact C-N 3.3Å; T196-I198 PolarHBondContact O-N 3.33Å; T196-P575 HydrophobicContact CG2-CB 3.88Å; T196-P575 WeakPolarHBondContact CG2-O 3.43Å; T196-N576 WeakPolarHBondContact CG2-OD1 3.34Å
197E37.9Very low47.8Very low161 Ų16172.7 Ų72.775%0.75239%0.386SS*.  trans-74.789164.4-64-173.1-178.600108G195 P199G195-E197 VanDerWaalsContact C-N 3.26Å; E197-P199 VanDerWaalsContact C-N 3.33Å; E197-P199 WeakPolarHBondContact O-CD 3.48Å
198I40.8Very low49.2Very low90 Ų9070.4 Ų70.446%0.46237%0.37SS..  trans-56.7108.1149.6-59.7166.3000103.3T196 K200T196-I198 VanDerWaalsContact C-N 3.3Å; T196-I198 PolarHBondContact O-N 3.33Å; I198-K200 PolarHBondContact O-N 3.43Å
199P35.4Very low50.4Low48 Ų4864.9 Ų64.931%0.31235%0.347SS..  trans-57.6117.6176.523.3-30.8000105.2E197 I201E197-P199 VanDerWaalsContact C-N 3.33Å; E197-P199 WeakPolarHBondContact O-CD 3.48Å; P199-I201 PolarHBondContact O-N 3.36Å
200K36.8Very low51.8Low174 Ų17463.4 Ų63.476%0.75733%0.331SS*.  trans-48.2132.9163.9-69.7174.2-179.1171.10104.1I198 T202 D203I198-K200 PolarHBondContact O-N 3.43Å; K200-T202 WeakPolarHBondContact CB-OG1 3.34Å; K200-T202 PolarHBondContact O-N 3.28Å; K200-T202 PolarHBondContact O-OG1 2.99Å; K200-D203 PolarHBondContact O-N 3.4Å
201I39.8Very low53Low148 Ų14862.1 Ų62.176%0.75933%0.326SS*.THydrogen-bonded Turntrans-53.2-3.2-177.3-70.3164000112.8P199P199-I201 PolarHBondContact O-N 3.36Å
202T39.6Very low54.2Low106 Ų10661.5 Ų61.565%0.6532%0.322SS*.THydrogen-bonded Turntrans-72-19.3-179.949.80000115.9K200K200-T202 WeakPolarHBondContact CB-OG1 3.34Å; K200-T202 PolarHBondContact O-N 3.28Å; K200-T202 PolarHBondContact O-OG1 2.99Å
203D44.1Very low55.3Low110 Ų11059.7 Ų59.759%0.58831%0.313SS*.SBendtrans-124.6141.1-175.1-67.1-56.3000114.2K200 H205K200-D203 PolarHBondContact O-N 3.4Å; D203-H205 PolarHBondContact O-N 3.18Å
204T52.2Low56.3Low56 Ų5657.5 Ų57.534%0.34430%0.302SS..SBendtrans-67.921-166.741.30000116.2T94T94-T204 PolarHBondContact OG1-O 3.02Å
205H57.2Low57.6Low103 Ų10357.7 Ų57.748%0.47730%0.299SS..  trans-114.5110.2-179.2-62.8-68.7000110.4D203D203-H205 PolarHBondContact O-N 3.18Å
206W64.7Low58.7Low54 Ų5459.1 Ų59.121%0.20531%0.314CS..  trans-95.3132.1171-52.8-30.8000110.3T92 L108 M109 F112T92-W206 HydrophobicContact CG2-CB 3.79Å; T92-W206 HydrophobicContact CG2-CD2 4.24Å; T92-W206 HydrophobicContact CG2-CE3 4.11Å; T92-W206 HydrophobicContact CG2-CG 4.14Å; T92-W206 PolarHBondContact N-O 3.23Å; L108-W206 HydrophobicContact CB-CH2 3.35Å; L108-W206 HydrophobicContact CB-CZ3 3.65Å; L108-W206 WeakPolarHBondContact O-CZ3 3.41Å; M109-W206 VanDerWaalsContact CA-CZ3 3.41Å; M109-W206 HydrophobicContact CB-CD2 4.27Å; M109-W206 HydrophobicContact CB-CE3 4.1Å; M109-W206 HydrophobicContact CB-CH2 3.96Å; M109-W206 HydrophobicContact CB-CZ2 4.06Å; M109-W206 HydrophobicContact CB-CZ3 3.98Å; M109-W206 HydrophobicContact CG-CD2 4.11Å; M109-W206 HydrophobicContact CG-CE3 4.25Å; M109-W206 VanDerWaalsContact N-CH2 3.33Å; F112-W206 HydrophobicContact CB-CE3 4.03Å; F112-W206 HydrophobicContact CB-CZ3 4.46Å; F112-W206 HydrophobicContact CD1-CB 4.1Å; F112-W206 HydrophobicContact CD1-CE3 4.49Å; F112-W206 HydrophobicContact CE1-CB 3.96Å; F112-W206 HydrophobicContact CG-CE3 4.27Å; F112-W206 HydrophobicContact CZ-CB 4.43Å; F112-W206 WeakPolarHBondContact CZ-O 3.17Å
207H69.5Low60.1Low66 Ų6657.1 Ų57.131%0.30630%0.302SS..EExtended strand (participates in β ladder)trans-115.1134.5178.4-58.2-66.9000110V90 H91V90-H207 WeakPolarHBondContact O-CA 3.38Å; H91-H207 AromaticContact CE1-CE1 3.56Å; H91-H207 AromaticContact CE1-ND1 3.32Å; H91-H207 PolarHBondContact CE1-ND1 3.11Å; H91-H207 VanDerWaalsContact CE1-ND1 3.32Å; H91-H207 AromaticContact ND1-CE1 3.12Å; H91-H207 PolarHBondContact ND1-CE1 2.86Å; H91-H207 AromaticContact ND1-ND1 2.77Å; H91-H207 PolarHBondContact ND1-ND1 3.25Å
208Y75.3Confident61.6Low2 Ų252.6 Ų52.61%0.00829%0.286CS..EExtended strand (participates in β ladder)trans-122.1118.5169.5173-83000108.2V90 F113 A116 S157 P158 M210V90-Y208 HydrophobicContact CB-CD1 4.47Å; V90-Y208 HydrophobicContact CG2-CD1 3.99Å; V90-Y208 PolarHBondContact N-O 3.15Å; V90-Y208 PolarHBondContact O-N 3.08Å; F113-Y208 HydrophobicContact CD1-CD2 4.03Å; F113-Y208 HydrophobicContact CD1-CE2 4.28Å; F113-Y208 AromaticContact CE1-CD2 3.82Å; F113-Y208 HydrophobicContact CE1-CD2 3.82Å; F113-Y208 HydrophobicContact CE1-CE2 4.32Å; A116-Y208 HydrophobicContact CB-CD1 3.72Å; A116-Y208 HydrophobicContact CB-CD2 3.65Å; A116-Y208 HydrophobicContact CB-CE1 3.74Å; A116-Y208 HydrophobicContact CB-CE2 3.63Å; A116-Y208 HydrophobicContact CB-CG 3.67Å; S157-Y208 WeakPolarHBondContact CB-OH 3.39Å; P158-Y208 HydrophobicContact CB-CD2 4.06Å; P158-Y208 HydrophobicContact CB-CE2 3.66Å; P158-Y208 HydrophobicContact CG-CD2 3.71Å; P158-Y208 HydrophobicContact CG-CE2 3.57Å; P158-Y208 HydrophobicContact CG-CG 4.49Å; Y208-M210 HydrophobicContact CE1-CB 3.99Å
209A73Confident63.1Low1 Ų150 Ų501%0.00828%0.278CS..EExtended strand (participates in β ladder)trans-108131.4176.700000111.7V88 I89 P158 I193V88-A209 WeakPolarHBondContact O-CA 3.29Å; I89-A209 HydrophobicContact CG1-CB 4.36Å; P158-A209 WeakPolarHBondContact CD-O 3.37Å; I193-A209 VanDerWaalsContact O-CB 3.28Å; I193-A209 WeakPolarHBondContact O-CB 3.46Å
210M76.7Confident64.7Low0 Ų051.8 Ų51.80%029%0.285CS..EExtended strand (participates in β ladder)trans-114.6121.1171.8165.4-175.7-105.700108.1Q87 V88 R120 T123 L155 L156 Y208 V212Q87-M210 CarbonylContact C-O 3.53Å; Q87-M210 WeakPolarHBondContact CA-O 3.26Å; V88-M210 HydrophobicContact CB-CB 4.31Å; V88-M210 PolarHBondContact N-O 2.88Å; V88-M210 PolarHBondContact O-N 3.31Å; R120-M210 HydrophobicContact CB-CE 3.6Å; R120-M210 HydrophobicContact CG-CE 3.7Å; T123-M210 HydrophobicContact CG2-SD 4.26Å; L155-M210 HydrophobicContact CD1-CE 3.4Å; L155-M210 HydrophobicContact CD1-CG 3.53Å; L155-M210 HydrophobicContact CD1-SD 3.59Å; L155-M210 VanDerWaalsContact CD1-SD 3.59Å; L155-M210 HydrophobicContact CD2-CE 3.48Å; L155-M210 VanDerWaalsContact CD2-CE 3.48Å; L155-M210 HydrophobicContact CG-CE 3.58Å; L155-M210 HydrophobicContact CG-CG 4.44Å; L155-M210 HydrophobicContact CG-SD 4.43Å; L156-M210 CarbonylContact O-C 3.59Å; L156-M210 WeakPolarHBondContact O-CA 3.29Å; Y208-M210 HydrophobicContact CE1-CB 3.99Å; M210-V212 HydrophobicContact CG-CG2 4.38Å
211T74.8Confident66.3Low0 Ų046.5 Ų46.50%026%0.263CS..EExtended strand (participates in β ladder)trans-99.8118.4177.2-540000109.4I85 Q87 L156 M213I85-T211 HydrophobicContact CG2-CG2 3.62Å; Q87-T211 HydrophobicContact CG-CG2 4.21Å; L156-T211 PolarHBondContact N-O 2.84Å; L156-T211 PolarHBondContact O-N 3.33Å; T211-M213 HydrophobicContact CG2-CG 4.24Å
212V77.4Confident68Low2 Ų239.6 Ų39.61%0.01223%0.228CC..EExtended strand (participates in β ladder)trans-102128.4173.8-172.90000108.1V86 C153 R154 L155 M210 I214 F225V86-V212 HydrophobicContact CB-CB 4.46Å; V86-V212 PolarHBondContact N-O 3.44Å; V86-V212 PolarHBondContact O-N 3.03Å; C153-V212 WeakPolarHBondContact SG-CG1 3.09Å; R154-V212 CarbonylContact O-C 3.55Å; R154-V212 WeakPolarHBondContact O-CA 3.27Å; L155-V212 HydrophobicContact CD1-CB 4.36Å; L155-V212 HydrophobicContact CD1-CG2 3.53Å; M210-V212 HydrophobicContact CG-CG2 4.38Å; V212-I214 HydrophobicContact CG1-CG1 4.28Å; V212-F225 HydrophobicContact CB-CE1 4.39Å; V212-F225 HydrophobicContact CG1-CE1 3.69Å; V212-F225 HydrophobicContact CG1-CZ 3.92Å
213M76.3Confident69.7Low2 Ų237.8 Ų37.81%0.0122%0.219CC..EExtended strand (participates in β ladder)trans-120126.6176.9-66.9-167.7-70.600110.7Y84 I85 C153 R154 T211 F586 L587Y84-M213 CarbonylContact O-C 3.6Å; Y84-M213 WeakPolarHBondContact O-CA 3.31Å; I85-M213 HydrophobicContact CD1-CG 4.49Å; I85-M213 HydrophobicContact CD1-SD 4.06Å; I85-M213 HydrophobicContact CG1-CG 4Å; I85-M213 HydrophobicContact CG1-SD 4.18Å; I85-M213 HydrophobicContact CG2-CG 4.31Å; C153-M213 CarbonylContact C-O 3.57Å; R154-M213 PolarHBondContact N-O 2.88Å; R154-M213 PolarHBondContact O-N 3.44Å; T211-M213 HydrophobicContact CG2-CG 4.24Å; M213-F586 HydrophobicContact CE-CB 4.46Å; M213-F586 HydrophobicContact CE-CD1 2.97Å; M213-F586 HydrophobicContact CE-CD2 4.46Å; M213-F586 HydrophobicContact CE-CE1 3.04Å; M213-F586 HydrophobicContact CE-CG 3.74Å; M213-F586 HydrophobicContact CE-CZ 3.86Å; M213-F586 HydrophobicContact SD-CD1 4.26Å; M213-L587 HydrophobicContact SD-CD2 4.15Å; M213-L587 HydrophobicContact SD-CG 4.31Å
214I75.8Confident71.1Confident0 Ų039.7 Ų39.70%022%0.218CC..EExtended strand (participates in β ladder)trans-116.9118.8-175.8-48.9171.5000107.7A83 Y84 V212 A217 V222 F225A83-I214 CarbonylContact C-O 3.56Å; A83-I214 VanDerWaalsContact CA-O 3.28Å; A83-I214 WeakPolarHBondContact CA-O 3.39Å; Y84-I214 PolarHBondContact N-O 3.48Å; Y84-I214 PolarHBondContact O-N 3.27Å; V212-I214 HydrophobicContact CG1-CG1 4.28Å; I214-A217 HydrophobicContact CB-CB 4.49Å; I214-A217 HydrophobicContact CG2-CB 3.36Å; I214-V222 HydrophobicContact CD1-CG1 4.21Å; I214-V222 HydrophobicContact CD1-CG2 4.24Å; I214-V222 HydrophobicContact CG2-CG2 4.46Å; I214-F225 HydrophobicContact CD1-CB 4.4Å; I214-F225 HydrophobicContact CD1-CD1 3.44Å; I214-F225 VanDerWaalsContact CD1-CD1 3.44Å; I214-F225 HydrophobicContact CD1-CE1 3.87Å; I214-F225 HydrophobicContact CD1-CG 4.06Å
215I75.4Confident72.2Confident16 Ų1637.7 Ų37.78%0.08220%0.204CC..EExtended strand (participates in β ladder)trans-112.5128.1-171.8-55.3178.4000108.2A83 P151 T152 A217 L587 V591A83-I215 HydrophobicContact CB-CG1 4.11Å; P151-I215 CarbonylContact C-O 3.52Å; P151-I215 VanDerWaalsContact CA-O 3.23Å; P151-I215 WeakPolarHBondContact CA-O 3.32Å; T152-I215 PolarHBondContact N-O 3.27Å; T152-I215 PolarHBondContact O-N 3.01Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 2.92Å; I215-L587 HydrophobicContact CD1-CD2 3.97Å; I215-L587 HydrophobicContact CG1-CD2 4.3Å; I215-V591 HydrophobicContact CD1-CB 4.11Å; I215-V591 HydrophobicContact CD1-CG2 3.33Å; I215-V591 HydrophobicContact CG2-CB 4.37Å; I215-V591 HydrophobicContact CG2-CG1 3.65Å; I215-V591 HydrophobicContact CG2-CG2 4.08Å
216G69.7Low73.2Confident57 Ų5735.6 Ų35.659%0.58819%0.192SC*.SBendtrans73.318.1179.200000115.1
217A69.3Low73.7Confident4 Ų436.8 Ų36.83%0.03321%0.205CC..  trans-86.3155.8172.900000111.9Y84 P151 I214 I215 Q221 V222Y84-A217 WeakPolarHBondContact CE2-O 3.23Å; P151-A217 HydrophobicContact CB-CB 3.88Å; I214-A217 HydrophobicContact CB-CB 4.49Å; I214-A217 HydrophobicContact CG2-CB 3.36Å; I215-A217 VanDerWaalsContact C-N 3.32Å; I215-A217 PolarHBondContact O-N 2.92Å; A217-Q221 HydrophobicContact CB-CB 4.26Å; A217-V222 HydrophobicContact CB-CG2 3.66Å
218T70.2Confident74Confident65 Ų6534.7 Ų34.740%0.39920%0.199SC..  trans-83.4157.7169.962.20000111D220 Q221 V222T218-D220 PolarHBondContact O-N 3.32Å; T218-Q221 VanDerWaalsContact N-OE1 3.12Å; T218-Q221 WeakPolarHBondContact O-CB 3.49Å; T218-Q221 PolarHBondContact O-N 3.36Å; T218-Q221 VanDerWaalsContact O-N 3.11Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.08Å; T218-V222 WeakPolarHBondContact O-CG2 3.18Å; T218-V222 PolarHBondContact O-N 2.96Å; T218-V222 VanDerWaalsContact O-N 3.12Å
219A71.1Confident74.2Confident37 Ų3734.7 Ų34.731%0.30620%0.2SC..Hα-helixtrans-53.5-38.7178.900000113.3V64 V222 C223V64-A219 HydrophobicContact CG1-CB 3.67Å; A219-V222 PolarHBondContact O-N 3.23Å; A219-C223 WeakPolarHBondContact O-CB 3.03Å; A219-C223 PolarHBondContact O-N 2.85Å
220D69.6Low74.4Confident84 Ų8436.4 Ų36.445%0.44921%0.21SC..Hα-helixtrans-66.6-44.6177.4-179.526.3000112.2T218 V222 C223 R224T218-D220 PolarHBondContact O-N 3.32Å; D220-V222 VanDerWaalsContact C-N 3.25Å; D220-V222 PolarHBondContact O-N 2.78Å; D220-C223 PolarHBondContact O-N 2.85Å; D220-R224 WeakPolarHBondContact O-CG 3.42Å; D220-R224 PolarHBondContact O-N 3.32Å; D220-R224 IonicContact OD1-CZ 3.79Å; D220-R224 IonicContact OD1-NE 3.03Å; D220-R224 PolarHBondContact OD1-NE 3.12Å; D220-R224 IonicContact OD1-NH2 3.7Å; D220-R224 IonicContact OD2-CZ 3.24Å; D220-R224 VanDerWaalsContact OD2-CZ 3.24Å; D220-R224 IonicContact OD2-NE 3.25Å; D220-R224 PolarHBondContact OD2-NE 2.76Å; D220-R224 IonicContact OD2-NH2 2.69Å; D220-R224 PolarHBondContact OD2-NH2 3.48Å
221Q71.4Confident74.4Confident64 Ų6439.5 Ų39.530%0.29923%0.232SC..Hα-helixtrans-57.2-42.4175.5-75.2174-9.100111.5C129 A217 T218 R224 F225C129-Q221 PolarHBondContact SG-O 3.46Å; A217-Q221 HydrophobicContact CB-CB 4.26Å; T218-Q221 VanDerWaalsContact N-OE1 3.12Å; T218-Q221 WeakPolarHBondContact O-CB 3.49Å; T218-Q221 PolarHBondContact O-N 3.36Å; T218-Q221 VanDerWaalsContact O-N 3.11Å; T218-Q221 WeakPolarHBondContact OG1-CG 3.08Å; Q221-R224 PolarHBondContact O-N 2.77Å; Q221-F225 WeakPolarHBondContact O-CB 3.08Å; Q221-F225 PolarHBondContact O-N 2.99Å
222V75.5Confident74.4Confident3 Ų340 Ų402%0.01823%0.234CC..Hα-helixtrans-70.9-37.7179.9-178.80000111.6Y84 I214 A217 T218 A219 D220 F225 R226 L602Y84-V222 HydrophobicContact CD1-CB 4.41Å; Y84-V222 HydrophobicContact CD1-CG1 4.01Å; Y84-V222 HydrophobicContact CD1-CG2 4.2Å; Y84-V222 HydrophobicContact CD2-CB 4.48Å; Y84-V222 HydrophobicContact CD2-CG2 3.46Å; Y84-V222 VanDerWaalsContact CD2-CG2 3.46Å; Y84-V222 HydrophobicContact CE2-CG2 3.8Å; Y84-V222 HydrophobicContact CG-CB 4.26Å; Y84-V222 HydrophobicContact CG-CG1 3.92Å; Y84-V222 HydrophobicContact CG-CG2 3.64Å; I214-V222 HydrophobicContact CD1-CG1 4.21Å; I214-V222 HydrophobicContact CD1-CG2 4.24Å; I214-V222 HydrophobicContact CG2-CG2 4.46Å; A217-V222 HydrophobicContact CB-CG2 3.66Å; T218-V222 WeakPolarHBondContact O-CG2 3.18Å; T218-V222 PolarHBondContact O-N 2.96Å; T218-V222 VanDerWaalsContact O-N 3.12Å; A219-V222 PolarHBondContact O-N 3.23Å; D220-V222 VanDerWaalsContact C-N 3.25Å; D220-V222 PolarHBondContact O-N 2.78Å; V222-F225 PolarHBondContact O-N 2.74Å; V222-R226 WeakPolarHBondContact O-CB 3.49Å; V222-R226 PolarHBondContact O-N 3.22Å; V222-L602 HydrophobicContact CG1-CD1 3.23Å
223C74.3Confident74.2Confident68 Ų6840.1 Ų40.146%0.45924%0.236SC..Hα-helixtrans-62.8-44174.2-168.70000111.6A219 D220 F225 R226 T227A219-C223 WeakPolarHBondContact O-CB 3.03Å; A219-C223 PolarHBondContact O-N 2.85Å; D220-C223 PolarHBondContact O-N 2.85Å; C223-F225 VanDerWaalsContact C-N 3.31Å; C223-F225 PolarHBondContact O-N 3.39Å; C223-R226 PolarHBondContact O-N 3.08Å; C223-T227 WeakPolarHBondContact O-CG2 3.31Å; C223-T227 PolarHBondContact O-N 3.24Å; C223-T227 PolarHBondContact O-OG1 2.83Å
224R73.4Confident73.8Confident150 Ų15043.4 Ų43.457%0.56627%0.27SS*.Hα-helixtrans-61-39.9173.1-68.1176.3-164.7-163.72.2112.2D220 Q221 T227 A228D220-R224 WeakPolarHBondContact O-CG 3.42Å; D220-R224 PolarHBondContact O-N 3.32Å; D220-R224 IonicContact OD1-CZ 3.79Å; D220-R224 IonicContact OD1-NE 3.03Å; D220-R224 PolarHBondContact OD1-NE 3.12Å; D220-R224 IonicContact OD1-NH2 3.7Å; D220-R224 IonicContact OD2-CZ 3.24Å; D220-R224 VanDerWaalsContact OD2-CZ 3.24Å; D220-R224 IonicContact OD2-NE 3.25Å; D220-R224 PolarHBondContact OD2-NE 2.76Å; D220-R224 IonicContact OD2-NH2 2.69Å; D220-R224 PolarHBondContact OD2-NH2 3.48Å; Q221-R224 PolarHBondContact O-N 2.77Å; R224-T227 VanDerWaalsContact CA-OG1 3.29Å; R224-T227 WeakPolarHBondContact CA-OG1 3.34Å; R224-T227 PolarHBondContact O-OG1 3.37Å; R224-A228 VanDerWaalsContact O-CB 3.28Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.07Å
225F76.6Confident73.5Confident13 Ų1349.7 Ų49.76%0.05730%0.298CS..Hα-helixtrans-69-40.9176.4-177.3-102.9000112.3L126 V212 I214 Q221 V222 C223 A228 L229L126-F225 HydrophobicContact CD2-CD2 4.16Å; L126-F225 HydrophobicContact CD2-CE2 3.96Å; V212-F225 HydrophobicContact CB-CE1 4.39Å; V212-F225 HydrophobicContact CG1-CE1 3.69Å; V212-F225 HydrophobicContact CG1-CZ 3.92Å; I214-F225 HydrophobicContact CD1-CB 4.4Å; I214-F225 HydrophobicContact CD1-CD1 3.44Å; I214-F225 VanDerWaalsContact CD1-CD1 3.44Å; I214-F225 HydrophobicContact CD1-CE1 3.87Å; I214-F225 HydrophobicContact CD1-CG 4.06Å; Q221-F225 WeakPolarHBondContact O-CB 3.08Å; Q221-F225 PolarHBondContact O-N 2.99Å; V222-F225 PolarHBondContact O-N 2.74Å; C223-F225 VanDerWaalsContact C-N 3.31Å; C223-F225 PolarHBondContact O-N 3.39Å; F225-A228 PolarHBondContact O-N 3.07Å; F225-L229 HydrophobicContact CD1-CD1 3.6Å; F225-L229 HydrophobicContact CD1-CG 4.33Å; F225-L229 HydrophobicContact CE1-CD1 3.2Å; F225-L229 HydrophobicContact CE1-CG 3.95Å; F225-L229 HydrophobicContact CZ-CD1 3.82Å; F225-L229 HydrophobicContact CZ-CG 4.12Å; F225-L229 WeakPolarHBondContact O-CB 3.14Å; F225-L229 PolarHBondContact O-N 3.25Å
226R77Confident73.3Confident60 Ų6056.9 Ų56.923%0.22633%0.331CS..Hα-helixtrans-63-44.6175.4-175.1179.8178.9-158.8-5111.3V222 C223 A228 L229 T230 D248 P603V222-R226 WeakPolarHBondContact O-CB 3.49Å; V222-R226 PolarHBondContact O-N 3.22Å; C223-R226 PolarHBondContact O-N 3.08Å; R226-A228 VanDerWaalsContact C-N 3.32Å; R226-A228 PolarHBondContact O-N 2.92Å; R226-L229 WeakPolarHBondContact O-CB 3.43Å; R226-L229 PolarHBondContact O-N 3.08Å; R226-T230 WeakPolarHBondContact O-CG2 3.43Å; R226-T230 PolarHBondContact O-N 3.21Å; R226-T230 PolarHBondContact O-OG1 3.22Å; R226-D248 IonicContact NH2-OD1 3.9Å; R226-P603 VanDerWaalsContact NH2-CG 3.33Å
227T76.1Confident73.2Confident78 Ų7856.1 Ų56.148%0.47932%0.316SS..Hα-helixtrans-64.3-37.3175.4490000112.1C223 R224 T230 S231C223-T227 WeakPolarHBondContact O-CG2 3.31Å; C223-T227 PolarHBondContact O-N 3.24Å; C223-T227 PolarHBondContact O-OG1 2.83Å; R224-T227 VanDerWaalsContact CA-OG1 3.29Å; R224-T227 WeakPolarHBondContact CA-OG1 3.34Å; R224-T227 PolarHBondContact O-OG1 3.37Å; T227-T230 WeakPolarHBondContact CA-OG1 2.92Å; T227-T230 PolarHBondContact O-N 3.19Å; T227-T230 PolarHBondContact O-OG1 3.25Å; T227-S231 PolarHBondContact O-N 2.93Å
228A75.4Confident73.6Confident23 Ų2356.1 Ų56.119%0.1932%0.315CS..Hα-helixtrans-66.4-37.6172.400000112L126 R224 F225 R226 S231L126-A228 HydrophobicContact CD1-CB 4.12Å; L126-A228 HydrophobicContact CD2-CB 3.43Å; L126-A228 VanDerWaalsContact CD2-CB 3.43Å; L126-A228 HydrophobicContact CG-CB 3.81Å; R224-A228 VanDerWaalsContact O-CB 3.28Å; R224-A228 WeakPolarHBondContact O-CB 3.35Å; R224-A228 PolarHBondContact O-N 2.07Å; F225-A228 PolarHBondContact O-N 3.07Å; R226-A228 VanDerWaalsContact C-N 3.32Å; R226-A228 PolarHBondContact O-N 2.92Å; A228-S231 WeakPolarHBondContact O-CB 3.11Å; A228-S231 PolarHBondContact O-N 3.41Å; A228-S231 PolarHBondContact O-OG 3.29Å
229L78.5Confident74Confident2 Ų255.7 Ų55.71%0.0131%0.313CS..Hα-helixtrans-65.2-43.3173.5-87.5167.3000112.4V86 V88 T123 L126 F225 R226 S231 L232V86-L229 HydrophobicContact CG1-CD1 3.96Å; V88-L229 HydrophobicContact CG2-CD1 4.49Å; V88-L229 HydrophobicContact CG2-CD2 3.98Å; T123-L229 HydrophobicContact CG2-CD2 3.56Å; L126-L229 HydrophobicContact CD2-CG 4.33Å; F225-L229 HydrophobicContact CD1-CD1 3.6Å; F225-L229 HydrophobicContact CD1-CG 4.33Å; F225-L229 HydrophobicContact CE1-CD1 3.2Å; F225-L229 HydrophobicContact CE1-CG 3.95Å; F225-L229 HydrophobicContact CZ-CD1 3.82Å; F225-L229 HydrophobicContact CZ-CG 4.12Å; F225-L229 WeakPolarHBondContact O-CB 3.14Å; F225-L229 PolarHBondContact O-N 3.25Å; R226-L229 WeakPolarHBondContact O-CB 3.43Å; R226-L229 PolarHBondContact O-N 3.08Å; L229-S231 VanDerWaalsContact C-N 3.29Å; L229-S231 PolarHBondContact O-N 3.29Å; L229-L232 WeakPolarHBondContact O-CB 3.46Å; L229-L232 PolarHBondContact O-N 2.81Å; L229-L232 VanDerWaalsContact O-N 3.12Å
230T77.1Confident74.1Confident37 Ų3761.8 Ų61.823%0.22733%0.327CS..Hα-helixtrans-66.8-32.4176.456.30000111.7R226 T227 L232 G233 V605R226-T230 WeakPolarHBondContact O-CG2 3.43Å; R226-T230 PolarHBondContact O-N 3.21Å; R226-T230 PolarHBondContact O-OG1 3.22Å; T227-T230 WeakPolarHBondContact CA-OG1 2.92Å; T227-T230 PolarHBondContact O-N 3.19Å; T227-T230 PolarHBondContact O-OG1 3.25Å; T230-L232 PolarHBondContact O-N 3.35Å; T230-L232 VanDerWaalsContact O-N 3.14Å; T230-G233 PolarHBondContact O-N 3.26Å; T230-G233 VanDerWaalsContact O-N 3.11Å; T230-V605 HydrophobicContact CG2-CG1 4.1Å; T230-V605 HydrophobicContact CG2-CG2 4.03Å
231S77.7Confident74.1Confident65 Ų6562 Ų6246%0.45532%0.322SS..Hα-helixtrans-59.9-22.9172.985.40000113.3T227 A228 L229 G233 G234T227-S231 PolarHBondContact O-N 2.93Å; A228-S231 WeakPolarHBondContact O-CB 3.11Å; A228-S231 PolarHBondContact O-N 3.41Å; A228-S231 PolarHBondContact O-OG 3.29Å; L229-S231 VanDerWaalsContact C-N 3.29Å; L229-S231 PolarHBondContact O-N 3.29Å; S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact O-N 2.95Å; S231-G234 PolarHBondContact O-N 3.48Å
232L75.4Confident73.7Confident10 Ų1066.7 Ų66.75%0.05234%0.344CS..G310 helixtrans-68.1-27.5178.6-146.569000112.5L119 R122 T123 L126 L229 T230 G234 K235L119-L232 HydrophobicContact CD1-CD2 3.43Å; L119-L232 VanDerWaalsContact CD1-CD2 3.43Å; L119-L232 HydrophobicContact CD1-CG 4.23Å; L119-L232 HydrophobicContact CG-CD2 4.34Å; R122-L232 HydrophobicContact CB-CD1 3.73Å; R122-L232 HydrophobicContact CB-CD2 3.82Å; R122-L232 HydrophobicContact CB-CG 4.18Å; R122-L232 HydrophobicContact CG-CD1 4.48Å; T123-L232 HydrophobicContact CG2-CD2 3.69Å; L126-L232 HydrophobicContact CD1-CD1 4.45Å; L229-L232 WeakPolarHBondContact O-CB 3.46Å; L229-L232 PolarHBondContact O-N 2.81Å; L229-L232 VanDerWaalsContact O-N 3.12Å; T230-L232 PolarHBondContact O-N 3.35Å; T230-L232 VanDerWaalsContact O-N 3.14Å; L232-G234 VanDerWaalsContact C-N 3.26Å; L232-G234 PolarHBondContact O-N 2.8Å; L232-K235 PolarHBondContact O-N 2.9Å
233G71.4Confident72.7Confident5 Ų571.6 Ų71.65%0.05237%0.368CS..G310 helixtrans-75.8-5.2174.200000115.1T230 S231 F238 T239 R240 L607T230-G233 PolarHBondContact O-N 3.26Å; T230-G233 VanDerWaalsContact O-N 3.11Å; S231-G233 VanDerWaalsContact C-N 3.26Å; S231-G233 PolarHBondContact O-N 2.95Å; G233-F238 CarbonylContact O-C 3.55Å; G233-T239 CarbonylContact O-C 3.47Å; G233-T239 VanDerWaalsContact O-CA 3.31Å; G233-T239 WeakPolarHBondContact O-CA 3.36Å; G233-R240 PolarHBondContact O-N 3.12Å; G233-L607 VanDerWaalsContact CA-CD2 3.48Å
234G69.1Low71.3Confident71 Ų7177.1 Ų77.173%0.73239%0.387SS*.G310 helixtrans-88.5-6171.700000113.9S231 L232S231-G234 PolarHBondContact O-N 3.48Å; L232-G234 VanDerWaalsContact C-N 3.26Å; L232-G234 PolarHBondContact O-N 2.8Å
235K70.3Confident70Confident132 Ų13277.7 Ų77.757%0.57440%0.401SS*.SBendtrans-112.9120.4-176.4-65.8-178.8-178.7177.50110R122 L232 F238R122-K235 PolarHBondContact NH1-O 2.86Å; L232-K235 PolarHBondContact O-N 2.9Å; K235-F238 PolarHBondContact O-N 2.99Å
236Q69.6Low68.7Low166 Ų16683.4 Ų83.478%0.77643%0.428SS*.THydrogen-bonded Turntrans-46.4141.7173.4-74.5-170.1-13.600111.7R122R122-Q236 PolarHBondContact NH1-O 3.07Å; R122-Q236 PolarHBondContact NH2-O 3.13Å
237P67.6Low67.4Low42 Ų4287.8 Ų87.827%0.27345%0.451SS..THydrogen-bonded Turncis-87.69.17.736.2-37.1000115.4
238F79.1Confident66.6Low3 Ų389.4 Ų89.41%0.01346%0.457CS..EExtended strand (participates in β ladder)trans-92.4136.4-178.4-54.3-80.8000110.7V90 A115 L119 G233 K235 L607 A608 V609V90-F238 HydrophobicContact CG1-CE1 4.34Å; A115-F238 WeakPolarHBondContact O-CZ 3.38Å; L119-F238 HydrophobicContact CB-CE1 3.98Å; L119-F238 HydrophobicContact CB-CE2 4.16Å; L119-F238 HydrophobicContact CB-CZ 3.56Å; L119-F238 HydrophobicContact CD1-CD1 4.1Å; L119-F238 HydrophobicContact CD1-CD2 4.09Å; L119-F238 HydrophobicContact CD1-CE1 3.93Å; L119-F238 HydrophobicContact CD1-CE2 3.93Å; L119-F238 HydrophobicContact CD1-CG 4.19Å; L119-F238 HydrophobicContact CD1-CZ 3.87Å; L119-F238 HydrophobicContact CD2-CE1 4.31Å; L119-F238 HydrophobicContact CG-CE1 4.31Å; L119-F238 HydrophobicContact CG-CZ 4.24Å; G233-F238 CarbonylContact O-C 3.55Å; K235-F238 PolarHBondContact O-N 2.99Å; F238-L607 HydrophobicContact CD1-CB 4.4Å; F238-L607 HydrophobicContact CD1-CD1 4.39Å; F238-A608 CarbonylContact C-O 3.59Å; F238-A608 WeakPolarHBondContact CA-O 3.14Å; F238-V609 HydrophobicContact CD1-CG2 3.31Å; F238-V609 HydrophobicContact CE1-CG2 3.26Å; F238-V609 HydrophobicContact CG-CG2 4.41Å; F238-V609 HydrophobicContact CZ-CG2 4.33Å
239T77.1Confident66.1Low57 Ų5789.1 Ų89.135%0.3546%0.456SS..EExtended strand (participates in β ladder)trans-116150.6166.8550000109G233 W241 L607 A608G233-T239 CarbonylContact O-C 3.47Å; G233-T239 VanDerWaalsContact O-CA 3.31Å; G233-T239 WeakPolarHBondContact O-CA 3.36Å; T239-W241 PolarHBondContact O-N 2.76Å; T239-L607 CarbonylContact O-C 3.57Å; T239-L607 WeakPolarHBondContact O-CA 3.19Å; T239-A608 PolarHBondContact N-O 2.74Å; T239-A608 PolarHBondContact O-N 2.97Å; T239-A608 WeakPolarHBondContact OG1-CB 3.46Å; T239-A608 PolarHBondContact OG1-O 2.8Å
240R73.4Confident65.6Low164 Ų16489.3 Ų89.362%0.61946%0.457SS*.EExtended strand (participates in β ladder)trans-69.8131.4172-169.4174.8-176.4168.3-3.3108.9G233G233-R240 PolarHBondContact O-N 3.12Å
241W70Confident65.4Low90 Ų9088.7 Ų88.734%0.34145%0.452SS..  trans-100.1112.5176.5-177.3-88.5000109.2H91 T93 T239 M243 H606 A608H91-W241 AromaticContact CD2-CD1 3.74Å; H91-W241 AromaticContact CD2-CG 3.9Å; T93-W241 HydrophobicContact CG2-CE3 3.89Å; T93-W241 HydrophobicContact CG2-CH2 4.03Å; T93-W241 HydrophobicContact CG2-CZ3 3.22Å; T239-W241 PolarHBondContact O-N 2.76Å; W241-M243 HydrophobicContact CZ2-CE 4Å; W241-H606 HydrophobicContact CB-CB 4.05Å; W241-H606 PolarHBondContact N-O 3.1Å; W241-A608 HydrophobicContact CB-CB 4.06Å; W241-A608 HydrophobicContact CD2-CB 4.25Å; W241-A608 HydrophobicContact CE3-CB 3.54Å; W241-A608 HydrophobicContact CZ3-CB 4.35Å
242E62.5Low65.3Low161 Ų16185.7 Ų85.775%0.75243%0.431SS*.  trans-91.6104.4177.7-69177.4177.500108.9
243M56Low65.2Low106 Ų10685.2 Ų85.252%0.52243%0.429SS..  trans-77.5132169.6-88.1-87.6145.900109.2W241 N245W241-M243 HydrophobicContact CZ2-CE 4Å; M243-N245 PolarHBondContact O-N 3.19Å
244Q44.2Very low65.3Low184 Ų18486.8 Ų86.886%0.8643%0.433SS*.SBendtrans-75.9-5.3-168.1-94.5-177-15.200116.3
245N44.9Very low65.4Low162 Ų16283.4 Ų83.487%0.86640%0.399SS*.SBendtrans-157.924.5-173.1-89.6-31000116.6M243M243-N245 PolarHBondContact O-N 3.19Å
246E50.2Low64.9Low133 Ų13383 Ų8362%0.62140%0.397SS*.  trans-90117171.7-81.2-172.8160.400111D248 H606E246-D248 PolarHBondContact O-N 2.78Å; E246-D248 VanDerWaalsContact O-N 3.08Å; E246-H606 IonicContact OE2-NE2 2.8Å
247E50.4Low64.4Low153 Ų15379.4 Ų79.472%0.71538%0.382SS*.  trans-54.8112.2166.9-70.8176.7167.200109.7K60 G249K60-E247 VanDerWaalsContact NZ-CB 3.34Å; K60-E247 PolarHBondContact NZ-O 3.17Å; K60-E247 IonicContact NZ-OE2 2.65Å; K60-E247 PolarHBondContact NZ-OE2 2.99Å; E247-G249 PolarHBondContact O-N 3.09Å
248D58.6Low63.6Low112 Ų11282 Ų8260%0.59939%0.389SS*.  trans-65.749.6-179.3-116.9-22.1000112.8R226 E246 P603R226-D248 IonicContact NH2-OD1 3.9Å; E246-D248 PolarHBondContact O-N 2.78Å; E246-D248 VanDerWaalsContact O-N 3.08Å; D248-P603 WeakPolarHBondContact OD1-CB 3.15Å
249G64.4Low62.5Low17 Ų1785.7 Ų85.718%0.17540%0.403CS..  trans-82.3125.6-177.700000112.1T61 E247T61-G249 CarbonylContact O-C 3.59Å; T61-G249 VanDerWaalsContact O-CA 3.26Å; T61-G249 WeakPolarHBondContact O-CA 3.49Å; E247-G249 PolarHBondContact O-N 3.09Å
250I69.3Low61.5Low6 Ų686.2 Ų86.23%0.03141%0.406CS..EExtended strand (participates in β ladder)trans-71.5124.8165.6-62.2161.6000107.7K60 T61 V64 T600 L602 P603K60-I250 CarbonylContact C-O 3.55Å; K60-I250 WeakPolarHBondContact CA-O 3.24Å; T61-I250 PolarHBondContact N-O 3.35Å; T61-I250 PolarHBondContact O-N 3.48Å; T61-I250 PolarHBondContact OG1-O 3.06Å; V64-I250 HydrophobicContact CB-CD1 4.23Å; V64-I250 HydrophobicContact CG2-CD1 3.52Å; I250-T600 HydrophobicContact CG2-CG2 3.41Å; I250-T600 VanDerWaalsContact CG2-CG2 3.41Å; I250-L602 HydrophobicContact CD1-CD2 4.32Å; I250-L602 HydrophobicContact CG1-CD2 4.07Å; I250-L602 HydrophobicContact CG2-CD2 4.27Å; I250-P603 HydrophobicContact CG1-CG 4.4Å
251L72.8Confident60.8Low23 Ų2389 Ų8912%0.1242%0.416CS..EExtended strand (participates in β ladder)trans-99.5110.9-178.5173.672.9000109.4L58 I253 Y580 V601L58-L251 HydrophobicContact CB-CD1 3.9Å; L58-L251 HydrophobicContact CD2-CD1 4.04Å; L58-L251 HydrophobicContact CD2-CD2 4.44Å; L58-L251 HydrophobicContact CG-CD1 4.27Å; L251-I253 HydrophobicContact CD2-CD1 4.03Å; L251-I253 HydrophobicContact CD2-CG1 4.01Å; L251-I253 HydrophobicContact CG-CD1 4.47Å; L251-I253 HydrophobicContact CG-CG1 3.95Å; L251-Y580 HydrophobicContact CD2-CE1 3.6Å; L251-Y580 HydrophobicContact CD2-CE2 4.19Å; L251-Y580 VanDerWaalsContact CD2-CZ 3.4Å; L251-Y580 WeakPolarHBondContact CD2-OH 3.45Å; L251-V601 HydrophobicContact CB-CB 4.12Å; L251-V601 HydrophobicContact CD2-CB 4.46Å; L251-V601 PolarHBondContact N-O 2.96Å; L251-V601 WeakPolarHBondContact O-CB 3.3Å; L251-V601 PolarHBondContact O-N 2.82Å
252H74.8Confident60.2Low2 Ų292.2 Ų92.21%0.00943%0.433CS..EExtended strand (participates in β ladder)trans-91.4120.8170.3-59.2-84.3000109.3V59 T61 L76 F598 T600V59-H252 HydrophobicContact CB-CB 4.43Å; V59-H252 PolarHBondContact N-O 3.38Å; V59-H252 PolarHBondContact O-N 2.85Å; T61-H252 PolarHBondContact OG1-CD2 3.43Å; T61-H252 VanDerWaalsContact OG1-CD2 3.24Å; T61-H252 PolarHBondContact OG1-NE2 2.86Å; L76-H252 HydrophobicContact CD1-CB 4.23Å; H252-F598 AromaticContact ND1-CD2 3.98Å; H252-F598 AromaticContact ND1-CE2 3.91Å; H252-T600 VanDerWaalsContact CE1-CG2 3.4Å; H252-T600 WeakPolarHBondContact CE1-CG2 3Å; H252-T600 WeakPolarHBondContact ND1-CG2 3.32Å; H252-T600 PolarHBondContact ND1-OG1 2.5Å
253I74.1Confident60.1Low0 Ų088.8 Ų88.80%042%0.42CS..EExtended strand (participates in β ladder)trans-106.1108.4179.7-56.5175.2000107.7P55 L251 Y255 Y580 W583 F598 V599 V601P55-I253 HydrophobicContact CB-CG2 3.64Å; L251-I253 HydrophobicContact CD2-CD1 4.03Å; L251-I253 HydrophobicContact CD2-CG1 4.01Å; L251-I253 HydrophobicContact CG-CD1 4.47Å; L251-I253 HydrophobicContact CG-CG1 3.95Å; I253-Y255 HydrophobicContact CB-CE2 4.3Å; I253-Y255 HydrophobicContact CG2-CD2 4.3Å; I253-Y255 HydrophobicContact CG2-CE1 4.14Å; I253-Y255 HydrophobicContact CG2-CE2 3.75Å; I253-Y580 HydrophobicContact CD1-CD1 3.42Å; I253-Y580 VanDerWaalsContact CD1-CD1 3.42Å; I253-Y580 HydrophobicContact CD1-CD2 4.4Å; I253-Y580 HydrophobicContact CD1-CE1 3.93Å; I253-Y580 HydrophobicContact CD1-CG 3.69Å; I253-W583 HydrophobicContact CD1-CE3 4.23Å; I253-W583 HydrophobicContact CD1-CZ3 4.25Å; I253-F598 CarbonylContact O-C 3.6Å; I253-F598 WeakPolarHBondContact O-CA 3.18Å; I253-F598 VanDerWaalsContact O-CB 3.31Å; I253-F598 WeakPolarHBondContact O-CB 3.13Å; I253-V599 PolarHBondContact N-O 2.9Å; I253-V599 PolarHBondContact O-N 3.4Å; I253-V601 HydrophobicContact CD1-CG2 3.64Å; I253-V601 HydrophobicContact CG1-CG2 4.25Å
254Y73.5Confident60.7Low39 Ų3986.9 Ų86.915%0.15341%0.407CS..EExtended strand (participates in β ladder)trans-91125.3174.1-175.2-109.3000111.1C56 V57 W75 K256 G596 F598C56-Y254 PolarHBondContact N-O 3.36Å; C56-Y254 VanDerWaalsContact N-O 3.09Å; V57-Y254 PolarHBondContact O-N 3.21Å; W75-Y254 HydrophobicContact CB-CD2 4.25Å; W75-Y254 HydrophobicContact CB-CE2 3.78Å; W75-Y254 HydrophobicContact CD2-CD1 4.45Å; W75-Y254 AromaticContact CD2-CD2 3.55Å; W75-Y254 HydrophobicContact CD2-CD2 3.55Å; W75-Y254 HydrophobicContact CD2-CE2 4Å; W75-Y254 AromaticContact CD2-CG 3.81Å; W75-Y254 HydrophobicContact CD2-CG 3.81Å; W75-Y254 AromaticContact CE2-CG 3.95Å; W75-Y254 AromaticContact CE3-CD2 3.5Å; W75-Y254 HydrophobicContact CE3-CD2 3.5Å; W75-Y254 HydrophobicContact CE3-CE2 4.23Å; W75-Y254 AromaticContact CE3-CG 3.95Å; W75-Y254 HydrophobicContact CE3-CG 3.95Å; W75-Y254 AromaticContact CG-CD2 3.89Å; W75-Y254 HydrophobicContact CG-CD2 3.89Å; W75-Y254 AromaticContact CG-CE2 3.82Å; W75-Y254 HydrophobicContact CG-CE2 3.82Å; W75-Y254 HydrophobicContact CG-CG 4.32Å; W75-Y254 HydrophobicContact CH2-CG 4.37Å; W75-Y254 HydrophobicContact CZ2-CG 4.22Å; W75-Y254 HydrophobicContact CZ3-CD2 4.11Å; W75-Y254 HydrophobicContact CZ3-CG 4.24Å; Y254-K256 HydrophobicContact CD1-CB 4.11Å; Y254-K256 HydrophobicContact CE1-CB 3.83Å; Y254-K256 HydrophobicContact CE1-CG 4.14Å; Y254-G596 WeakPolarHBondContact CE2-O 3.5Å; Y254-F598 HydrophobicContact CD2-CB 4.07Å
255Y70.3Confident61.7Low0 Ų082.1 Ų82.10%039%0.387CS..  trans-97.290.8175.8-63.6-85.3000109P53 P55 I253 I257 Y580 A584 V594 G596 R597 V599P53-Y255 HydrophobicContact CB-CD1 3.65Å; P53-Y255 HydrophobicContact CB-CE1 4.36Å; P53-Y255 HydrophobicContact CB-CG 4.06Å; P55-Y255 HydrophobicContact CB-CD1 4.28Å; P55-Y255 HydrophobicContact CB-CE1 3.99Å; P55-Y255 HydrophobicContact CG-CE1 4.47Å; I253-Y255 HydrophobicContact CB-CE2 4.3Å; I253-Y255 HydrophobicContact CG2-CD2 4.3Å; I253-Y255 HydrophobicContact CG2-CE1 4.14Å; I253-Y255 HydrophobicContact CG2-CE2 3.75Å; Y255-I257 PolarHBondContact O-N 2.9Å; Y255-Y580 PolarHBondContact OH-O 3.3Å; Y255-A584 HydrophobicContact CD1-CB 4.23Å; Y255-A584 HydrophobicContact CE1-CB 3.41Å; Y255-A584 VanDerWaalsContact CE1-CB 3.41Å; Y255-V594 HydrophobicContact CD2-CG1 3.2Å; Y255-V594 HydrophobicContact CE2-CG1 3.58Å; Y255-V594 HydrophobicContact CG-CG1 3.73Å; Y255-G596 WeakPolarHBondContact O-CA 3.49Å; Y255-G596 PolarHBondContact O-N 2.98Å; Y255-R597 PolarHBondContact N-O 3.24Å; Y255-V599 HydrophobicContact CD2-CG2 4.29Å; Y255-V599 HydrophobicContact CE2-CB 3.99Å; Y255-V599 HydrophobicContact CE2-CG2 3.64Å
256K60.1Low62.7Low124 Ų12479.8 Ų79.854%0.53937%0.374SS..  trans-64.5134.8177.4-167172.3-178.1173.50109.9C56 Y254 K258C56-K256 HydrophobicContact CB-CB 3.94Å; Y254-K256 HydrophobicContact CD1-CB 4.11Å; Y254-K256 HydrophobicContact CE1-CB 3.83Å; Y254-K256 HydrophobicContact CE1-CG 4.14Å; K256-K258 PolarHBondContact O-N 3.14Å
257I58.2Low63.5Low90 Ų9074.3 Ų74.346%0.46235%0.349SS..  trans-63.2102.3162.5-67.2158.7000105.6Y255 R259 N595Y255-I257 PolarHBondContact O-N 2.9Å; I257-R259 WeakPolarHBondContact CG2-O 3.23Å; I257-R259 PolarHBondContact O-N 3.5Å; I257-N595 HydrophobicContact CG1-CB 3.89Å
258K52.2Low64.3Low96 Ų9671 Ų7142%0.41734%0.339SS..  trans-59.6-30.8-175-94.5-171.6170.41780112.4S54 K256 Y570S54-K258 VanDerWaalsContact OG-CD 3.24Å; S54-K258 WeakPolarHBondContact OG-CD 3.34Å; S54-K258 WeakPolarHBondContact OG-CE 3.4Å; K256-K258 PolarHBondContact O-N 3.14Å; K258-Y570 WeakPolarHBondContact CE-OH 3.31Å; K258-Y570 PolarHBondContact NZ-OH 2.93Å; K258-Y570 VanDerWaalsContact NZ-OH 3.07Å
259R55Low64.8Low80 Ų8068.9 Ų68.930%0.30233%0.33SS..  trans-150.3133.8-176-65.2-173177.7146.3-11.3113.3I257 D263 Y264 E326I257-R259 WeakPolarHBondContact CG2-O 3.23Å; I257-R259 PolarHBondContact O-N 3.5Å; R259-D263 VanDerWaalsContact CA-OD2 3.22Å; R259-D263 WeakPolarHBondContact CA-OD2 3.35Å; R259-D263 HydrophobicContact CB-CB 4.35Å; R259-Y264 HydrophobicContact CB-CE2 3.89Å; R259-E326 IonicContact CZ-OE1 2.83Å; R259-E326 IonicContact CZ-OE2 2.67Å; R259-E326 IonicContact NE-OE1 3.67Å; R259-E326 PolarHBondContact NE-OE1 3.22Å; R259-E326 IonicContact NH1-OE1 3.24Å; R259-E326 PolarHBondContact NH1-OE1 3.16Å; R259-E326 IonicContact NH1-OE2 3.56Å; R259-E326 PolarHBondContact NH1-OE2 3.36Å; R259-E326 IonicContact NH2-OE1 3.98Å; R259-E326 PolarHBondContact NH2-OE1 3.11Å; R259-E326 IonicContact NH2-OE2 3.48Å; R259-E326 PolarHBondContact NH2-OE2 3.25Å
260T56.2Low64.8Low68 Ų6868.6 Ų68.642%0.41733%0.325SS..  trans-92.2163.2172.3630000110.3F262 D263 Y264T260-F262 PolarHBondContact O-N 3.25Å; T260-D263 PolarHBondContact N-OD2 3.44Å; T260-D263 PolarHBondContact O-N 2.92Å; T260-D263 PolarHBondContact OG1-OD2 3.48Å; T260-Y264 WeakPolarHBondContact O-CD2 3.4Å
261W58.3Low64.8Low222 Ų22271.4 Ų71.484%0.84134%0.336SS*.THydrogen-bonded Turntrans-54.2-26173.4-79.489.1000112.9Y264 I265W261-Y264 PolarHBondContact O-N 3.46Å; W261-I265 PolarHBondContact O-N 3.46Å
262F57.7Low64.8Low159 Ų15974.3 Ų74.370%0.69736%0.355SS*.THydrogen-bonded Turntrans-65.9-36.3176.7-71-80.8000113.1T260 Y264 I265T260-F262 PolarHBondContact O-N 3.25Å; F262-Y264 PolarHBondContact O-N 3.41Å; F262-I265 HydrophobicContact CB-CD1 4.36Å; F262-I265 HydrophobicContact CD1-CD1 3.48Å; F262-I265 VanDerWaalsContact CD1-CD1 3.48Å; F262-I265 HydrophobicContact CE1-CD1 4.12Å; F262-I265 HydrophobicContact CG-CD1 4.26Å; F262-I265 WeakPolarHBondContact O-CB 3.37Å; F262-I265 PolarHBondContact O-N 2.94Å
263D61.5Low64.6Low88 Ų8879.6 Ų79.647%0.47138%0.382SS..Hα-helixtrans-64.3-28.3177.4-57.2-39.7000111.3R259 T260R259-D263 VanDerWaalsContact CA-OD2 3.22Å; R259-D263 WeakPolarHBondContact CA-OD2 3.35Å; R259-D263 HydrophobicContact CB-CB 4.35Å; T260-D263 PolarHBondContact N-OD2 3.44Å; T260-D263 PolarHBondContact O-N 2.92Å; T260-D263 PolarHBondContact OG1-OD2 3.48Å
264Y67.1Low64.3Low66 Ų6680.8 Ų80.826%0.25939%0.388SS..Hα-helixtrans-82.7-7.2176.5-61.5-70.9000113.6R259 T260 W261 F262 L267 V268 V325R259-Y264 HydrophobicContact CB-CE2 3.89Å; T260-Y264 WeakPolarHBondContact O-CD2 3.4Å; W261-Y264 PolarHBondContact O-N 3.46Å; F262-Y264 PolarHBondContact O-N 3.41Å; Y264-L267 HydrophobicContact CD1-CD2 3.76Å; Y264-L267 HydrophobicContact CE1-CD2 4.39Å; Y264-L267 WeakPolarHBondContact O-CB 3.41Å; Y264-L267 PolarHBondContact O-N 2.7Å; Y264-V268 WeakPolarHBondContact O-CB 3.12Å; Y264-V268 VanDerWaalsContact O-CG2 3.27Å; Y264-V268 WeakPolarHBondContact O-CG2 3.22Å; Y264-V268 PolarHBondContact O-N 3.3Å; Y264-V325 HydrophobicContact CD1-CG1 4.32Å; Y264-V325 HydrophobicContact CE1-CG1 3.68Å
265I65.6Low64.2Low84 Ų8482.8 Ų82.843%0.43140%0.401SS..Hα-helixtrans-63.5-47179.6-68.4174.1000110.7W261 F262 L267 V268 V269W261-I265 PolarHBondContact O-N 3.46Å; F262-I265 HydrophobicContact CB-CD1 4.36Å; F262-I265 HydrophobicContact CD1-CD1 3.48Å; F262-I265 VanDerWaalsContact CD1-CD1 3.48Å; F262-I265 HydrophobicContact CE1-CD1 4.12Å; F262-I265 HydrophobicContact CG-CD1 4.26Å; F262-I265 WeakPolarHBondContact O-CB 3.37Å; F262-I265 PolarHBondContact O-N 2.94Å; I265-L267 VanDerWaalsContact C-N 3.25Å; I265-L267 PolarHBondContact O-N 3.41Å; I265-V268 PolarHBondContact O-N 3.23Å; I265-V268 VanDerWaalsContact O-N 3.17Å; I265-V269 HydrophobicContact CG2-CG2 4.23Å; I265-V269 WeakPolarHBondContact O-CB 3.39Å; I265-V269 VanDerWaalsContact O-CG2 3.25Å; I265-V269 WeakPolarHBondContact O-CG2 3.33Å; I265-V269 PolarHBondContact O-N 3.31Å
266L65.5Low64.2Low114 Ų11489.5 Ų89.560%0.59743%0.43SS*.Hα-helixtrans-62.8-35.3177.8-72.1173.6000111.9V269 S270L266-V269 PolarHBondContact O-N 3.26Å; L266-S270 WeakPolarHBondContact O-CB 3.27Å; L266-S270 PolarHBondContact O-N 2.91Å; L266-S270 PolarHBondContact O-OG 2.73Å
267L67.2Low64.7Low17 Ų1786.3 Ų86.39%0.08942%0.415CS..Hα-helixtrans-66.6-42.5173.9-173.667.4000111.9Y264 I265 S270 Y271 V325 Y330Y264-L267 HydrophobicContact CD1-CD2 3.76Å; Y264-L267 HydrophobicContact CE1-CD2 4.39Å; Y264-L267 WeakPolarHBondContact O-CB 3.41Å; Y264-L267 PolarHBondContact O-N 2.7Å; I265-L267 VanDerWaalsContact C-N 3.25Å; I265-L267 PolarHBondContact O-N 3.41Å; L267-S270 PolarHBondContact O-N 3.18Å; L267-S270 PolarHBondContact O-OG 2.72Å; L267-Y271 HydrophobicContact CD1-CE1 4.24Å; L267-Y271 HydrophobicContact CD1-CE2 3.92Å; L267-Y271 WeakPolarHBondContact CD1-OH 3.43Å; L267-Y271 HydrophobicContact CD2-CE2 3.97Å; L267-Y271 HydrophobicContact CG-CD2 4.26Å; L267-Y271 HydrophobicContact CG-CE2 3.5Å; L267-Y271 WeakPolarHBondContact O-CD2 3.41Å; L267-Y271 VanDerWaalsContact O-CG 3.27Å; L267-Y271 PolarHBondContact O-N 2.73Å; L267-Y271 VanDerWaalsContact O-N 3.09Å; L267-V325 HydrophobicContact CD2-CG1 4.41Å; L267-Y330 HydrophobicContact CD1-CD2 4.49Å; L267-Y330 HydrophobicContact CD1-CE2 3.38Å; L267-Y330 VanDerWaalsContact CD1-CZ 3.44Å; L267-Y330 WeakPolarHBondContact CD1-OH 3.12Å
268V68.4Low65.2Low83 Ų8382.6 Ų82.650%0.50340%0.396SS..Hα-helixtrans-66.6-41.4175.3170.90000110.5Y264 I265 Y271 V272Y264-V268 WeakPolarHBondContact O-CB 3.12Å; Y264-V268 VanDerWaalsContact O-CG2 3.27Å; Y264-V268 WeakPolarHBondContact O-CG2 3.22Å; Y264-V268 PolarHBondContact O-N 3.3Å; I265-V268 PolarHBondContact O-N 3.23Å; I265-V268 VanDerWaalsContact O-N 3.17Å; V268-Y271 PolarHBondContact O-N 3.04Å; V268-V272 WeakPolarHBondContact O-CG2 3.49Å; V268-V272 PolarHBondContact O-N 3.2Å
269V68.4Low65.9Low68 Ų6880.4 Ų80.441%0.41239%0.386SS..Hα-helixtrans-61.8-44.2176.5169.50000111I265 L266 Y271 V272 I273I265-V269 HydrophobicContact CG2-CG2 4.23Å; I265-V269 WeakPolarHBondContact O-CB 3.39Å; I265-V269 VanDerWaalsContact O-CG2 3.25Å; I265-V269 WeakPolarHBondContact O-CG2 3.33Å; I265-V269 PolarHBondContact O-N 3.31Å; L266-V269 PolarHBondContact O-N 3.26Å; V269-Y271 VanDerWaalsContact C-N 3.31Å; V269-Y271 PolarHBondContact O-N 2.91Å; V269-V272 PolarHBondContact O-N 3.12Å; V269-V272 VanDerWaalsContact O-N 3.14Å; V269-I273 HydrophobicContact CG1-CD1 3.92Å; V269-I273 HydrophobicContact CG1-CG1 4.41Å; V269-I273 WeakPolarHBondContact O-CG1 3.17Å; V269-I273 PolarHBondContact O-N 3.23Å
270S64.1Low66.6Low12 Ų1278.2 Ų78.28%0.08439%0.385CS..Hα-helixtrans-64-37.2176.870.90000111.7L266 L267 V272 I273 L274 Y330L266-S270 WeakPolarHBondContact O-CB 3.27Å; L266-S270 PolarHBondContact O-N 2.91Å; L266-S270 PolarHBondContact O-OG 2.73Å; L267-S270 PolarHBondContact O-N 3.18Å; L267-S270 PolarHBondContact O-OG 2.72Å; S270-V272 VanDerWaalsContact C-N 3.34Å; S270-V272 PolarHBondContact O-N 2.77Å; S270-I273 PolarHBondContact O-N 3.13Å; S270-L274 WeakPolarHBondContact O-CB 3.45Å; S270-L274 PolarHBondContact O-N 3.41Å; S270-Y330 WeakPolarHBondContact CB-OH 2.99Å; S270-Y330 VanDerWaalsContact OG-CE1 3.3Å; S270-Y330 WeakPolarHBondContact OG-CE1 3.17Å; S270-Y330 VanDerWaalsContact OG-CZ 3.32Å; S270-Y330 PolarHBondContact OG-OH 2.78Å
271Y70Confident67.1Low65 Ų6576.1 Ų76.126%0.25537%0.372SS..Hα-helixtrans-65.6-34.8172.4-64.2-36.2000113L267 V268 V269 L274 L275 V325 P329 Y330L267-Y271 HydrophobicContact CD1-CE1 4.24Å; L267-Y271 HydrophobicContact CD1-CE2 3.92Å; L267-Y271 WeakPolarHBondContact CD1-OH 3.43Å; L267-Y271 HydrophobicContact CD2-CE2 3.97Å; L267-Y271 HydrophobicContact CG-CD2 4.26Å; L267-Y271 HydrophobicContact CG-CE2 3.5Å; L267-Y271 WeakPolarHBondContact O-CD2 3.41Å; L267-Y271 VanDerWaalsContact O-CG 3.27Å; L267-Y271 PolarHBondContact O-N 2.73Å; L267-Y271 VanDerWaalsContact O-N 3.09Å; V268-Y271 PolarHBondContact O-N 3.04Å; V269-Y271 VanDerWaalsContact C-N 3.31Å; V269-Y271 PolarHBondContact O-N 2.91Å; Y271-L274 HydrophobicContact CD1-CD2 4.14Å; Y271-L275 WeakPolarHBondContact O-CB 2.95Å; Y271-L275 PolarHBondContact O-N 2.93Å; Y271-V325 PolarHBondContact OH-O 3.22Å; Y271-P329 HydrophobicContact CE1-CB 3.83Å; Y271-P329 WeakPolarHBondContact OH-CB 3.27Å; Y271-P329 VanDerWaalsContact OH-CG 3.3Å; Y271-P329 WeakPolarHBondContact OH-CG 3.35Å; Y271-Y330 HydrophobicContact CD1-CE1 4.3Å; Y271-Y330 HydrophobicContact CE1-CD1 4.1Å; Y271-Y330 AromaticContact CE1-CE1 3.93Å; Y271-Y330 HydrophobicContact CE1-CE1 3.93Å; Y271-Y330 HydrophobicContact CE1-CG 4.49Å
272V72.1Confident67.4Low84 Ų8465.8 Ų65.851%0.50933%0.334SS..Hα-helixtrans-70.8-42.7174.8172.60000111.5V268 V269 S270 L274 L275 F276V268-V272 WeakPolarHBondContact O-CG2 3.49Å; V268-V272 PolarHBondContact O-N 3.2Å; V269-V272 PolarHBondContact O-N 3.12Å; V269-V272 VanDerWaalsContact O-N 3.14Å; S270-V272 VanDerWaalsContact C-N 3.34Å; S270-V272 PolarHBondContact O-N 2.77Å; V272-L274 PolarHBondContact O-N 2.73Å; V272-L275 WeakPolarHBondContact O-CB 3.35Å; V272-L275 PolarHBondContact O-N 2.93Å; V272-F276 PolarHBondContact O-N 3.13Å
273I70.7Confident67.6Low112 Ų11262.4 Ų62.457%0.57432%0.32SS*.Hα-helixtrans-58.1-43174.9-71.8167.9000110.3V269 S270 F276 Y277V269-I273 HydrophobicContact CG1-CD1 3.92Å; V269-I273 HydrophobicContact CG1-CG1 4.41Å; V269-I273 WeakPolarHBondContact O-CG1 3.17Å; V269-I273 PolarHBondContact O-N 3.23Å; S270-I273 PolarHBondContact O-N 3.13Å; I273-F276 CarbonylContact O-C 3.57Å; I273-F276 WeakPolarHBondContact O-CB 3.22Å; I273-F276 PolarHBondContact O-N 2.64Å; I273-Y277 PolarHBondContact O-N 2.98Å
274L68.5Low67.7Low26 Ų2667.1 Ų67.114%0.13634%0.337CS..Hα-helixtrans-68.8-39.3177.2166.170.7000113.5S270 Y271 V272 F276 Y277 L278 L333S270-L274 WeakPolarHBondContact O-CB 3.45Å; S270-L274 PolarHBondContact O-N 3.41Å; Y271-L274 HydrophobicContact CD1-CD2 4.14Å; V272-L274 PolarHBondContact O-N 2.73Å; L274-F276 PolarHBondContact O-N 3.02Å; L274-Y277 HydrophobicContact CD1-CD1 4.45Å; L274-Y277 CarbonylContact O-C 3.52Å; L274-Y277 WeakPolarHBondContact O-CB 3.09Å; L274-Y277 PolarHBondContact O-N 3.39Å; L274-L278 WeakPolarHBondContact O-CB 3.44Å; L274-L278 PolarHBondContact O-N 3.2Å; L274-L333 HydrophobicContact CD1-CD1 3.96Å; L274-L333 HydrophobicContact CD1-CD2 3.36Å; L274-L333 HydrophobicContact CD1-CG 3.83Å; L274-L333 HydrophobicContact CD2-CD1 3.37Å; L274-L333 HydrophobicContact CD2-CD2 2.91Å; L274-L333 HydrophobicContact CD2-CG 3.52Å; L274-L333 HydrophobicContact CG-CD1 3.71Å; L274-L333 HydrophobicContact CG-CD2 3.52Å; L274-L333 HydrophobicContact CG-CG 3.96Å
275L70.5Confident67.5Low81 Ų8165.2 Ų65.242%0.42433%0.331SS..Hα-helixtrans-58.5-42.6170.8176.671.5000110.1Y271 V272 L278 Y279 V299Y271-L275 WeakPolarHBondContact O-CB 2.95Å; Y271-L275 PolarHBondContact O-N 2.93Å; V272-L275 WeakPolarHBondContact O-CB 3.35Å; V272-L275 PolarHBondContact O-N 2.93Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 3.37Å; L275-Y279 WeakPolarHBondContact O-CB 3.28Å; L275-Y279 PolarHBondContact O-N 3.39Å; L275-V299 HydrophobicContact CD1-CB 4.31Å; L275-V299 HydrophobicContact CD1-CG1 4.28Å; L275-V299 HydrophobicContact CD1-CG2 3.2Å
276F69.9Low67Low141 Ų14169.2 Ų69.262%0.61835%0.348SS*.Hα-helixtrans-65.7-39174.1-175.2-95.9000112V272 I273 L274 Y279 A280V272-F276 PolarHBondContact O-N 3.13Å; I273-F276 CarbonylContact O-C 3.57Å; I273-F276 WeakPolarHBondContact O-CB 3.22Å; I273-F276 PolarHBondContact O-N 2.64Å; L274-F276 PolarHBondContact O-N 3.02Å; F276-Y279 WeakPolarHBondContact O-CB 3.09Å; F276-Y279 PolarHBondContact O-N 2.83Å; F276-A280 WeakPolarHBondContact O-CB 3.32Å; F276-A280 PolarHBondContact O-N 3.02Å
277Y71.2Confident66.7Low57 Ų5764.6 Ų64.622%0.22432%0.323CS..Hα-helixtrans-62.5-45.5173.5176.8-110.7000111.8I273 L274 Y279 A280 C281 M337 F529I273-Y277 PolarHBondContact O-N 2.98Å; L274-Y277 HydrophobicContact CD1-CD1 4.45Å; L274-Y277 CarbonylContact O-C 3.52Å; L274-Y277 WeakPolarHBondContact O-CB 3.09Å; L274-Y277 PolarHBondContact O-N 3.39Å; Y277-Y279 VanDerWaalsContact C-N 3.31Å; Y277-Y279 PolarHBondContact O-N 3.22Å; Y277-A280 PolarHBondContact O-N 2.83Å; Y277-C281 VanDerWaalsContact CZ-SG 3.53Å; Y277-C281 WeakPolarHBondContact O-CB 3.49Å; Y277-C281 PolarHBondContact O-N 2.76Å; Y277-C281 PolarHBondContact O-SG 3.5Å; Y277-C281 VanDerWaalsContact O-SG 3.32Å; Y277-M337 HydrophobicContact CD1-CE 3.38Å; Y277-M337 HydrophobicContact CD1-SD 3.8Å; Y277-M337 HydrophobicContact CE1-CE 3.09Å; Y277-M337 HydrophobicContact CE1-SD 3.68Å; Y277-F529 HydrophobicContact CE1-CE1 4.06Å; Y277-F529 HydrophobicContact CE1-CZ 4.44Å
278L68.6Low66.2Low12 Ų1264.5 Ų64.56%0.06332%0.323CS..Hα-helixtrans-58-44.3172.9-82.3166.1000111.3L274 L275 C281 S282 V299 L333 M337L274-L278 WeakPolarHBondContact O-CB 3.44Å; L274-L278 PolarHBondContact O-N 3.2Å; L275-L278 WeakPolarHBondContact O-CB 3.39Å; L275-L278 PolarHBondContact O-N 3.37Å; L278-C281 PolarHBondContact O-N 3.38Å; L278-S282 WeakPolarHBondContact O-CB 3.44Å; L278-S282 PolarHBondContact O-N 3.47Å; L278-V299 HydrophobicContact CD1-CG2 4.2Å; L278-L333 HydrophobicContact CD1-CD1 3.99Å; L278-M337 HydrophobicContact CD2-CB 4.25Å; L278-M337 HydrophobicContact CD2-CE 3.61Å; L278-M337 HydrophobicContact CD2-CG 3.54Å; L278-M337 HydrophobicContact CD2-SD 3.42Å; L278-M337 WeakPolarHBondContact CD2-SD 3.33Å; L278-M337 HydrophobicContact CG-CE 4.12Å; L278-M337 HydrophobicContact CG-SD 3.86Å
279Y67.8Low65.8Low49 Ų4965.3 Ų65.319%0.19232%0.32CS..Hα-helixtrans-61.8-47.5175.1177.5-102.7000111.6L275 F276 Y277 C281 S282 Q283 W292L275-Y279 WeakPolarHBondContact O-CB 3.28Å; L275-Y279 PolarHBondContact O-N 3.39Å; F276-Y279 WeakPolarHBondContact O-CB 3.09Å; F276-Y279 PolarHBondContact O-N 2.83Å; Y277-Y279 VanDerWaalsContact C-N 3.31Å; Y277-Y279 PolarHBondContact O-N 3.22Å; Y279-C281 PolarHBondContact O-N 2.96Å; Y279-S282 CarbonylContact O-C 3.57Å; Y279-S282 PolarHBondContact O-N 3.4Å; Y279-S282 VanDerWaalsContact O-N 3.13Å; Y279-S282 PolarHBondContact O-OG 3.47Å; Y279-Q283 HydrophobicContact CD1-CG 4.37Å; Y279-Q283 HydrophobicContact CE1-CG 4Å; Y279-Q283 VanDerWaalsContact CZ-NE2 3.29Å; Y279-Q283 WeakPolarHBondContact O-CG 3.47Å; Y279-Q283 PolarHBondContact O-N 2.72Å; Y279-Q283 PolarHBondContact OH-NE2 3.35Å; Y279-Q283 VanDerWaalsContact OH-NE2 3.09Å; Y279-W292 HydrophobicContact CD2-CE3 4.37Å; Y279-W292 HydrophobicContact CD2-CH2 4.44Å; Y279-W292 HydrophobicContact CD2-CZ3 4.25Å; Y279-W292 HydrophobicContact CE2-CD2 4.11Å; Y279-W292 AromaticContact CE2-CE2 3.94Å; Y279-W292 HydrophobicContact CE2-CE3 4.2Å; Y279-W292 HydrophobicContact CE2-CH2 4.02Å; Y279-W292 AromaticContact CE2-CZ2 3.91Å; Y279-W292 HydrophobicContact CE2-CZ2 3.91Å; Y279-W292 HydrophobicContact CE2-CZ3 4.16Å
280A68.3Low65.7Low34 Ų3463.6 Ų63.628%0.28131%0.311SS..Hα-helixtrans-63.3-38.2176.900000112.6F276 Y277 Q283F276-A280 WeakPolarHBondContact O-CB 3.32Å; F276-A280 PolarHBondContact O-N 3.02Å; Y277-A280 PolarHBondContact O-N 2.83Å; A280-Q283 PolarHBondContact O-N 2.62Å
281C66.9Low65.9Low24 Ų2467.1 Ų67.116%0.16233%0.325CS..Hα-helixtrans-63.7-42171.9-74.80000111.4Y277 L278 Y279 Q283 K284 M337 L341Y277-C281 VanDerWaalsContact CZ-SG 3.53Å; Y277-C281 WeakPolarHBondContact O-CB 3.49Å; Y277-C281 PolarHBondContact O-N 2.76Å; Y277-C281 PolarHBondContact O-SG 3.5Å; Y277-C281 VanDerWaalsContact O-SG 3.32Å; L278-C281 PolarHBondContact O-N 3.38Å; Y279-C281 PolarHBondContact O-N 2.96Å; C281-Q283 VanDerWaalsContact C-N 3.31Å; C281-Q283 PolarHBondContact O-N 2.72Å; C281-K284 PolarHBondContact O-N 2.86Å; C281-M337 HydrophobicContact CB-CE 4.09Å; C281-L341 HydrophobicContact CB-CD1 4.23Å; C281-L341 HydrophobicContact CB-CD2 4.27Å
282S66.2Low65.8Low5 Ų572.2 Ų72.24%0.03534%0.344CS..Hα-helixtrans-67-31.1176.579.70000112.4L278 Y279 K284 I285L278-S282 WeakPolarHBondContact O-CB 3.44Å; L278-S282 PolarHBondContact O-N 3.47Å; Y279-S282 CarbonylContact O-C 3.57Å; Y279-S282 PolarHBondContact O-N 3.4Å; Y279-S282 VanDerWaalsContact O-N 3.13Å; Y279-S282 PolarHBondContact O-OG 3.47Å; S282-K284 VanDerWaalsContact C-N 3.26Å; S282-K284 PolarHBondContact O-N 3.3Å; S282-I285 WeakPolarHBondContact O-CB 3.34Å; S282-I285 PolarHBondContact O-N 3.4Å
283Q61.1Low65.7Low88 Ų8870.2 Ų70.241%0.41134%0.336SS..Hα-helixtrans-63.7-29.9177.1-78.7-168.8-17.500113.1Y279 A280 C281 I285 K291Y279-Q283 HydrophobicContact CD1-CG 4.37Å; Y279-Q283 HydrophobicContact CE1-CG 4Å; Y279-Q283 VanDerWaalsContact CZ-NE2 3.29Å; Y279-Q283 WeakPolarHBondContact O-CG 3.47Å; Y279-Q283 PolarHBondContact O-N 2.72Å; Y279-Q283 PolarHBondContact OH-NE2 3.35Å; Y279-Q283 VanDerWaalsContact OH-NE2 3.09Å; A280-Q283 PolarHBondContact O-N 2.62Å; C281-Q283 VanDerWaalsContact C-N 3.31Å; C281-Q283 PolarHBondContact O-N 2.72Å; Q283-I285 PolarHBondContact O-N 2.9Å; Q283-K291 HydrophobicContact CG-CD 4.48Å
284K62.7Low65.9Low187 Ų18765.4 Ų65.481%0.81331%0.312SS*.THydrogen-bonded Turntrans-69.5-10.4174.4-67.8-172.4178-178.30113.3C281 S282C281-K284 PolarHBondContact O-N 2.86Å; S282-K284 VanDerWaalsContact C-N 3.26Å; S282-K284 PolarHBondContact O-N 3.3Å
285I63.9Low66.2Low27 Ų2764.6 Ų64.614%0.13831%0.308CS..  trans-96.6100.7179.5-50.8175.8000107.9S282 Q283 M287 V288 L294 L341 T344 V348S282-I285 WeakPolarHBondContact O-CB 3.34Å; S282-I285 PolarHBondContact O-N 3.4Å; Q283-I285 PolarHBondContact O-N 2.9Å; I285-M287 VanDerWaalsContact C-N 3.3Å; I285-M287 PolarHBondContact O-N 3.25Å; I285-V288 HydrophobicContact CG2-CG2 3.9Å; I285-L294 HydrophobicContact CD1-CD2 4.24Å; I285-L341 HydrophobicContact CD1-CD2 4.44Å; I285-T344 HydrophobicContact CD1-CG2 3.96Å; I285-V348 HydrophobicContact CG2-CG1 4.23Å; I285-V348 HydrophobicContact CG2-CG2 4.32Å
286E55Low66.6Low168 Ų16867.1 Ų67.179%0.78532%0.316SS*.  trans-76.7-9.4-174.1-71.9-177.9153.900114.7
287M58.6Low67.2Low16 Ų1660.7 Ų60.78%0.07929%0.29CS..SBendtrans-104.547.9-175.2-99.8-163.9-154.300113.8I285 V348 T352 F427 L435I285-M287 VanDerWaalsContact C-N 3.3Å; I285-M287 PolarHBondContact O-N 3.25Å; M287-V348 HydrophobicContact CB-CG1 3.42Å; M287-V348 VanDerWaalsContact CB-CG1 3.42Å; M287-V348 HydrophobicContact CG-CG1 4.29Å; M287-V348 HydrophobicContact SD-CG1 4.06Å; M287-T352 HydrophobicContact CE-CG2 3.98Å; M287-T352 HydrophobicContact SD-CG2 4.21Å; M287-F427 VanDerWaalsContact O-CZ 3.25Å; M287-F427 WeakPolarHBondContact O-CZ 3.42Å; M287-L435 HydrophobicContact CE-CB 4.14Å; M287-L435 HydrophobicContact CE-CD1 4.23Å; M287-L435 HydrophobicContact CE-CD2 3.79Å; M287-L435 HydrophobicContact CE-CG 4.26Å; M287-L435 HydrophobicContact CG-CD1 3.76Å; M287-L435 HydrophobicContact CG-CD2 3.44Å; M287-L435 VanDerWaalsContact CG-CD2 3.44Å; M287-L435 HydrophobicContact CG-CG 4.22Å; M287-L435 HydrophobicContact SD-CD1 4.08Å; M287-L435 HydrophobicContact SD-CD2 4.27Å
288V57.5Low67.7Low15 Ų1558.3 Ų58.39%0.09128%0.282CS..  trans-134.4127176.4-175.20000110I285 S290 L294 D423I285-V288 HydrophobicContact CG2-CG2 3.9Å; V288-S290 WeakPolarHBondContact CG1-O 3.47Å; V288-L294 HydrophobicContact CG1-CB 3.9Å; V288-L294 HydrophobicContact CG2-CD2 4.01Å; V288-D423 WeakPolarHBondContact CG1-OD2 3.46Å
289K60.3Low68.2Low100 Ų10059.7 Ų59.744%0.43529%0.291SS..SBendtrans-68.1-37.3-173.7-173167.3-179151.50112.8R426 F427 D431K289-R426 HydrophobicContact CD-CB 4.14Å; K289-R426 HydrophobicContact CD-CG 4.01Å; K289-R426 WeakPolarHBondContact CD-O 3.45Å; K289-R426 WeakPolarHBondContact CE-O 3.41Å; K289-R426 PolarHBondContact NZ-O 3.16Å; K289-F427 HydrophobicContact CB-CE1 4.21Å; K289-F427 HydrophobicContact CB-CZ 4.22Å; K289-D431 IonicContact NZ-OD2 2.8Å; K289-D431 PolarHBondContact NZ-OD2 3.36Å
290S65Low69Low33 Ų3359.7 Ų59.723%0.23129%0.294CS..  trans-126.7101.4170.5178.70000109.4V288 W292 A293 L294V288-S290 WeakPolarHBondContact CG1-O 3.47Å; S290-W292 PolarHBondContact O-N 3.44Å; S290-W292 VanDerWaalsContact O-N 3.14Å; S290-A293 PolarHBondContact O-N 3.08Å; S290-A293 PolarHBondContact OG-N 3Å; S290-L294 PolarHBondContact O-N 3.34Å
291K69.1Low69.9Low85 Ų8558 Ų5837%0.3728%0.28SS..Hα-helixtrans-53.6-34.3175.5-60.9-177179.7-172.20111.7Q283 A295Q283-K291 HydrophobicContact CG-CD 4.48Å; K291-A295 PolarHBondContact O-N 3.41Å
292W67.2Low70.7Confident173 Ų17357.4 Ų57.466%0.65528%0.275SS*.Hα-helixtrans-65.5-39.3175.1-69.2106.6000113.6Y279 S290 A295 F296Y279-W292 HydrophobicContact CD2-CE3 4.37Å; Y279-W292 HydrophobicContact CD2-CH2 4.44Å; Y279-W292 HydrophobicContact CD2-CZ3 4.25Å; Y279-W292 HydrophobicContact CE2-CD2 4.11Å; Y279-W292 AromaticContact CE2-CE2 3.94Å; Y279-W292 HydrophobicContact CE2-CE3 4.2Å; Y279-W292 HydrophobicContact CE2-CH2 4.02Å; Y279-W292 AromaticContact CE2-CZ2 3.91Å; Y279-W292 HydrophobicContact CE2-CZ2 3.91Å; Y279-W292 HydrophobicContact CE2-CZ3 4.16Å; S290-W292 PolarHBondContact O-N 3.44Å; S290-W292 VanDerWaalsContact O-N 3.14Å; W292-A295 PolarHBondContact O-N 3.1Å; W292-F296 WeakPolarHBondContact O-CB 3.02Å; W292-F296 PolarHBondContact O-N 3.42Å
293A71.1Confident71.4Confident42 Ų4260 Ų6035%0.34729%0.291SS..Hα-helixtrans-67.6-38.4-178.500000111.7S290 G297S290-A293 PolarHBondContact O-N 3.08Å; S290-A293 PolarHBondContact OG-N 3Å; A293-G297 PolarHBondContact O-N 2.88Å
294L75.4Confident72.7Confident11 Ų1156.8 Ų56.86%0.05828%0.277CS..Hα-helixtrans-66.2-49.6175.5-172.379.1000111.4I285 V288 S290 F296 G297 A298 T344 Y416 L420I285-L294 HydrophobicContact CD1-CD2 4.24Å; V288-L294 HydrophobicContact CG1-CB 3.9Å; V288-L294 HydrophobicContact CG2-CD2 4.01Å; S290-L294 PolarHBondContact O-N 3.34Å; L294-F296 VanDerWaalsContact C-N 3.34Å; L294-F296 PolarHBondContact O-N 3.4Å; L294-G297 PolarHBondContact O-N 2.62Å; L294-A298 PolarHBondContact O-N 2.83Å; L294-T344 HydrophobicContact CD1-CG2 3.98Å; L294-T344 HydrophobicContact CD2-CG2 3.81Å; L294-Y416 HydrophobicContact CD1-CE2 4.49Å; L294-Y416 WeakPolarHBondContact CD1-OH 3.11Å; L294-L420 HydrophobicContact CD1-CD1 3.9Å
295A74.3Confident73.8Confident8 Ų847.9 Ų47.97%0.06624%0.238CC..Hα-helixtrans-60.7-44.5177.700000111.2K291 W292 A298 V299K291-A295 PolarHBondContact O-N 3.41Å; W292-A295 PolarHBondContact O-N 3.1Å; A295-A298 PolarHBondContact O-N 2.86Å; A295-V299 WeakPolarHBondContact O-CG2 3.13Å; A295-V299 PolarHBondContact O-N 3.09Å
296F78.5Confident74.6Confident135 Ų13548.2 Ų48.259%0.59224%0.24SC*.Hα-helixtrans-62.3-43.4175.6-178.9-100.4000112W292 L294 A298 V299 L300W292-F296 WeakPolarHBondContact O-CB 3.02Å; W292-F296 PolarHBondContact O-N 3.42Å; L294-F296 VanDerWaalsContact C-N 3.34Å; L294-F296 PolarHBondContact O-N 3.4Å; F296-A298 VanDerWaalsContact C-N 3.35Å; F296-A298 PolarHBondContact O-N 2.91Å; F296-V299 PolarHBondContact O-N 3.2Å; F296-L300 HydrophobicContact CE1-CD2 3.74Å; F296-L300 HydrophobicContact CZ-CD2 4.16Å; F296-L300 VanDerWaalsContact O-CB 3.22Å; F296-L300 WeakPolarHBondContact O-CB 3.27Å; F296-L300 PolarHBondContact O-N 3Å
297G82.4Confident76Confident6 Ų644.1 Ų44.16%0.06222%0.223CC..Hα-helixtrans-58.2-45.4174.800000112.2A293 L294 V299 L300 T301A293-G297 PolarHBondContact O-N 2.88Å; L294-G297 PolarHBondContact O-N 2.62Å; G297-V299 VanDerWaalsContact C-N 3.35Å; G297-V299 PolarHBondContact O-N 3.04Å; G297-L300 PolarHBondContact O-N 3.42Å; G297-T301 WeakPolarHBondContact O-CG2 3.48Å; G297-T301 PolarHBondContact O-N 3.33Å; G297-T301 PolarHBondContact O-OG1 3.41Å
298A81.1Confident77.2Confident6 Ų643.4 Ų43.45%0.0522%0.219CC..Hα-helixtrans-66.7-32.4177.700000113.4L294 A295 F296 T301 V302 I340 Y416L294-A298 PolarHBondContact O-N 2.83Å; A295-A298 PolarHBondContact O-N 2.86Å; F296-A298 VanDerWaalsContact C-N 3.35Å; F296-A298 PolarHBondContact O-N 2.91Å; A298-T301 VanDerWaalsContact C-OG1 3.29Å; A298-T301 WeakPolarHBondContact CA-OG1 3.22Å; A298-T301 PolarHBondContact O-OG1 3.37Å; A298-V302 WeakPolarHBondContact O-CG2 3.48Å; A298-I340 HydrophobicContact CB-CD1 4.38Å; A298-I340 HydrophobicContact CB-CG2 3.92Å; A298-Y416 HydrophobicContact CB-CE2 4.09Å
299V79.5Confident78.5Confident41 Ų4142.7 Ų42.725%0.24822%0.215CC..Hα-helixtrans-74.8-40.6174.8173.90000110.1L275 L278 A295 F296 G297 T301 V302 T303L275-V299 HydrophobicContact CD1-CB 4.31Å; L275-V299 HydrophobicContact CD1-CG1 4.28Å; L275-V299 HydrophobicContact CD1-CG2 3.2Å; L278-V299 HydrophobicContact CD1-CG2 4.2Å; A295-V299 WeakPolarHBondContact O-CG2 3.13Å; A295-V299 PolarHBondContact O-N 3.09Å; F296-V299 PolarHBondContact O-N 3.2Å; G297-V299 VanDerWaalsContact C-N 3.35Å; G297-V299 PolarHBondContact O-N 3.04Å; V299-T301 VanDerWaalsContact C-N 3.34Å; V299-T301 PolarHBondContact O-N 3.49Å; V299-V302 PolarHBondContact O-N 3.41Å; V299-T303 HydrophobicContact CG1-CG2 4.36Å; V299-T303 WeakPolarHBondContact O-CG2 3.02Å; V299-T303 PolarHBondContact O-N 3.13Å; V299-T303 PolarHBondContact O-OG1 3.42Å
300L84Confident79.3Confident49 Ų4938.6 Ų38.626%0.25720%0.2SC..Hα-helixtrans-66.8-35.8179.5-170.656.7000111.6F296 G297 T303 L304 F415F296-L300 HydrophobicContact CE1-CD2 3.74Å; F296-L300 HydrophobicContact CZ-CD2 4.16Å; F296-L300 VanDerWaalsContact O-CB 3.22Å; F296-L300 WeakPolarHBondContact O-CB 3.27Å; F296-L300 PolarHBondContact O-N 3Å; G297-L300 PolarHBondContact O-N 3.42Å; L300-T303 VanDerWaalsContact CA-OG1 3.27Å; L300-T303 WeakPolarHBondContact CA-OG1 3.17Å; L300-T303 PolarHBondContact O-OG1 3.33Å; L300-L304 HydrophobicContact CD1-CD1 4.01Å; L300-L304 HydrophobicContact CD1-CD2 4.34Å; L300-L304 HydrophobicContact CD1-CG 3.9Å; L300-L304 HydrophobicContact CG-CD1 3.8Å; L300-L304 HydrophobicContact CG-CG 4.18Å; L300-L304 VanDerWaalsContact O-CB 3.25Å; L300-L304 WeakPolarHBondContact O-CB 3.22Å; L300-L304 WeakPolarHBondContact O-CG 3.23Å; L300-L304 PolarHBondContact O-N 3.03Å; L300-F415 HydrophobicContact CB-CE1 4.03Å; L300-F415 HydrophobicContact CB-CZ 4.39Å; L300-F415 HydrophobicContact CD2-CE1 3.96Å; L300-F415 HydrophobicContact CD2-CZ 3.46Å; L300-F415 VanDerWaalsContact CD2-CZ 3.46Å; L300-F415 HydrophobicContact CG-CE1 3.8Å; L300-F415 HydrophobicContact CG-CZ 3.73Å
301T87.3Confident80Confident0 Ų037 Ų370%019%0.189CC..Hα-helixtrans-60.5-46.9173.550.70000112.3G297 A298 V299 S305 I340 F415 Y416G297-T301 WeakPolarHBondContact O-CG2 3.48Å; G297-T301 PolarHBondContact O-N 3.33Å; G297-T301 PolarHBondContact O-OG1 3.41Å; A298-T301 VanDerWaalsContact C-OG1 3.29Å; A298-T301 WeakPolarHBondContact CA-OG1 3.22Å; A298-T301 PolarHBondContact O-OG1 3.37Å; V299-T301 VanDerWaalsContact C-N 3.34Å; V299-T301 PolarHBondContact O-N 3.49Å; T301-S305 WeakPolarHBondContact O-CB 3.13Å; T301-S305 PolarHBondContact O-N 3.05Å; T301-S305 PolarHBondContact O-OG 3.4Å; T301-I340 VanDerWaalsContact OG1-CD1 3.31Å; T301-I340 WeakPolarHBondContact OG1-CD1 3.4Å; T301-F415 HydrophobicContact CG2-CD1 3.5Å; T301-F415 VanDerWaalsContact CG2-CD1 3.5Å; T301-F415 HydrophobicContact CG2-CE1 4.07Å; T301-Y416 VanDerWaalsContact CG2-CB 3.44Å; T301-Y416 HydrophobicContact CG2-CD2 3.65Å; T301-Y416 HydrophobicContact CG2-CG 3.93Å
302V83.9Confident80.5Confident10 Ų1034 Ų346%0.06118%0.176CC..Hα-helixtrans-68.4-44.5-178.2174.90000109.8A298 V299 L304 S305 L306 L333A298-V302 WeakPolarHBondContact O-CG2 3.48Å; V299-V302 PolarHBondContact O-N 3.41Å; V302-L304 PolarHBondContact O-N 2.96Å; V302-S305 PolarHBondContact O-N 3.47Å; V302-S305 PolarHBondContact O-OG 3.36Å; V302-L306 HydrophobicContact CG1-CD1 4.19Å; V302-L306 HydrophobicContact CG1-CG 4.48Å; V302-L306 WeakPolarHBondContact O-CG 3.3Å; V302-L306 PolarHBondContact O-N 3.27Å; V302-L333 HydrophobicContact CG1-CB 4.08Å; V302-L333 HydrophobicContact CG1-CD1 4.38Å
303T81.2Confident81Confident60 Ų6026 Ų2637%0.36815%0.147SC..Hα-helixtrans-64.2-42.3178.651.30000112.7V299 L300 L306 L307V299-T303 HydrophobicContact CG1-CG2 4.36Å; V299-T303 WeakPolarHBondContact O-CG2 3.02Å; V299-T303 PolarHBondContact O-N 3.13Å; V299-T303 PolarHBondContact O-OG1 3.42Å; L300-T303 VanDerWaalsContact CA-OG1 3.27Å; L300-T303 WeakPolarHBondContact CA-OG1 3.17Å; L300-T303 PolarHBondContact O-OG1 3.33Å; T303-L306 PolarHBondContact O-N 3.26Å; T303-L307 WeakPolarHBondContact O-CG 3.2Å; T303-L307 PolarHBondContact O-N 2.63Å
304L87.9Confident81Confident20 Ų2025.8 Ų25.811%0.10514%0.141CC..Hα-helixtrans-68.4-34.4176.7-68.4173.4000112.4L35 V38 L300 V302 L307 M308 M411 F415L35-L304 HydrophobicContact CD2-CD1 4.08Å; V38-L304 HydrophobicContact CB-CD2 4.46Å; V38-L304 HydrophobicContact CG1-CB 4.3Å; V38-L304 HydrophobicContact CG1-CD2 3.7Å; V38-L304 HydrophobicContact CG2-CB 4.13Å; L300-L304 HydrophobicContact CD1-CD1 4.01Å; L300-L304 HydrophobicContact CD1-CD2 4.34Å; L300-L304 HydrophobicContact CD1-CG 3.9Å; L300-L304 HydrophobicContact CG-CD1 3.8Å; L300-L304 HydrophobicContact CG-CG 4.18Å; L300-L304 VanDerWaalsContact O-CB 3.25Å; L300-L304 WeakPolarHBondContact O-CB 3.22Å; L300-L304 WeakPolarHBondContact O-CG 3.23Å; L300-L304 PolarHBondContact O-N 3.03Å; V302-L304 PolarHBondContact O-N 2.96Å; L304-L307 PolarHBondContact O-N 3.49Å; L304-M308 WeakPolarHBondContact O-CB 3.34Å; L304-M308 PolarHBondContact O-N 3.3Å; L304-M411 HydrophobicContact CB-CE 3.53Å; L304-M411 HydrophobicContact CD1-CE 3.7Å; L304-M411 HydrophobicContact CG-CE 4.28Å; L304-F415 HydrophobicContact CD1-CD1 4.24Å; L304-F415 HydrophobicContact CD1-CD2 4.18Å; L304-F415 HydrophobicContact CD1-CE1 4.04Å; L304-F415 HydrophobicContact CD1-CE2 3.96Å; L304-F415 HydrophobicContact CD1-CG 4.34Å; L304-F415 HydrophobicContact CD1-CZ 3.9Å
305S87.6Confident80.9Confident0 Ų028 Ų280%015%0.151CC..Hα-helixtrans-68.2-38.5174.868.60000111.9T301 V302 M308 A309T301-S305 WeakPolarHBondContact O-CB 3.13Å; T301-S305 PolarHBondContact O-N 3.05Å; T301-S305 PolarHBondContact O-OG 3.4Å; V302-S305 PolarHBondContact O-N 3.47Å; V302-S305 PolarHBondContact O-OG 3.36Å; S305-M308 PolarHBondContact O-N 3.31Å; S305-A309 WeakPolarHBondContact O-CB 3.2Å; S305-A309 PolarHBondContact O-N 3.41Å
306L80.4Confident80.6Confident35 Ų3533.3 Ų33.318%0.18317%0.173CC..Hα-helixtrans-62.9-45.5173.1-68.2176000112.3V302 T303 M308 A309 A310 F328 P329 A332V302-L306 HydrophobicContact CG1-CD1 4.19Å; V302-L306 HydrophobicContact CG1-CG 4.48Å; V302-L306 WeakPolarHBondContact O-CG 3.3Å; V302-L306 PolarHBondContact O-N 3.27Å; T303-L306 PolarHBondContact O-N 3.26Å; L306-M308 VanDerWaalsContact C-N 3.33Å; L306-M308 PolarHBondContact O-N 3.46Å; L306-A309 PolarHBondContact O-N 2.86Å; L306-A310 VanDerWaalsContact O-CB 3.24Å; L306-A310 WeakPolarHBondContact O-CB 3.34Å; L306-A310 PolarHBondContact O-N 2.79Å; L306-F328 HydrophobicContact CD2-CD1 3.51Å; L306-F328 HydrophobicContact CD2-CE1 3.14Å; L306-F328 HydrophobicContact CD2-CZ 3.86Å; L306-P329 HydrophobicContact CD1-CB 3.69Å; L306-P329 HydrophobicContact CD1-CG 4.11Å; L306-P329 HydrophobicContact CD2-CB 4.31Å; L306-P329 HydrophobicContact CD2-CG 4.35Å; L306-A332 HydrophobicContact CD2-CB 3.73Å
307L82.7Confident79.9Confident82 Ų8234.6 Ų34.643%0.42918%0.181SC..Hα-helixtrans-61.8-42.4176.4-73.3170.9000111.6L45 T303 L304 G311L45-L307 HydrophobicContact CD1-CD2 4.24Å; L45-L307 WeakPolarHBondContact CD1-O 3.35Å; T303-L307 WeakPolarHBondContact O-CG 3.2Å; T303-L307 PolarHBondContact O-N 2.63Å; L304-L307 PolarHBondContact O-N 3.49Å; L307-G311 PolarHBondContact O-N 3.14Å
308M85.4Confident79Confident0 Ų037.9 Ų37.90%020%0.197CC..Hα-helixtrans-63.9-47.5177-172.7167.176.300111.6V38 L41 L304 S305 L306 A310 G311 I312 A407 Y410 M411 F669V38-M308 HydrophobicContact CG2-SD 4.49Å; L41-M308 HydrophobicContact CB-CG 3.72Å; L41-M308 HydrophobicContact CD1-CG 3.53Å; L41-M308 HydrophobicContact CD1-SD 3.44Å; L41-M308 WeakPolarHBondContact CD1-SD 3.39Å; L41-M308 HydrophobicContact CG-CG 4.27Å; L304-M308 WeakPolarHBondContact O-CB 3.34Å; L304-M308 PolarHBondContact O-N 3.3Å; S305-M308 PolarHBondContact O-N 3.31Å; L306-M308 VanDerWaalsContact C-N 3.33Å; L306-M308 PolarHBondContact O-N 3.46Å; M308-A310 PolarHBondContact O-N 2.89Å; M308-G311 PolarHBondContact O-N 2.73Å; M308-I312 HydrophobicContact CG-CD1 4.17Å; M308-I312 VanDerWaalsContact O-CG1 3.32Å; M308-I312 WeakPolarHBondContact O-CG1 3.15Å; M308-I312 PolarHBondContact O-N 3.49Å; M308-A407 HydrophobicContact CE-CB 3.34Å; M308-A407 WeakPolarHBondContact CE-O 3.21Å; M308-Y410 HydrophobicContact CE-CD1 3.85Å; M308-Y410 HydrophobicContact CE-CG 4.39Å; M308-Y410 HydrophobicContact SD-CD1 4.33Å; M308-M411 HydrophobicContact CE-CG 4.2Å; M308-M411 HydrophobicContact CE-SD 4.48Å; M308-F669 HydrophobicContact CE-CE2 3.92Å; M308-F669 HydrophobicContact CE-CZ 4.28Å; M308-F669 HydrophobicContact SD-CE2 4.42Å
309A83.4Confident77.4Confident0 Ų040.6 Ų40.60%021%0.213CC..Hα-helixtrans-62.1-45.1178.600000112S305 L306 G311 I312 C313 F328 V403 A407S305-A309 WeakPolarHBondContact O-CB 3.2Å; S305-A309 PolarHBondContact O-N 3.41Å; L306-A309 PolarHBondContact O-N 2.86Å; A309-G311 VanDerWaalsContact C-N 3.33Å; A309-G311 PolarHBondContact O-N 3.22Å; A309-I312 PolarHBondContact O-N 2.73Å; A309-C313 PolarHBondContact O-N 2.74Å; A309-C313 PolarHBondContact O-SG 3.17Å; A309-F328 HydrophobicContact CB-CE1 4.06Å; A309-F328 HydrophobicContact CB-CZ 4.32Å; A309-V403 HydrophobicContact CB-CG1 4.21Å; A309-A407 HydrophobicContact CB-CB 4.11Å
310A77.4Confident76.1Confident14 Ų1442.8 Ų42.812%0.11622%0.217CC..Hα-helixtrans-62.4-40178.300000112L45 L306 M308 C313 V314 L324L45-A310 HydrophobicContact CD1-CB 3.97Å; L45-A310 HydrophobicContact CD2-CB 3.84Å; L45-A310 HydrophobicContact CG-CB 4.44Å; L306-A310 VanDerWaalsContact O-CB 3.24Å; L306-A310 WeakPolarHBondContact O-CB 3.34Å; L306-A310 PolarHBondContact O-N 2.79Å; M308-A310 PolarHBondContact O-N 2.89Å; A310-C313 PolarHBondContact O-N 3.01Å; A310-V314 WeakPolarHBondContact O-CG2 3.24Å; A310-V314 PolarHBondContact O-N 3.09Å; A310-L324 HydrophobicContact CB-CD2 3.86Å
311G79.5Confident74.6Confident0 Ų043.4 Ų43.40%022%0.215CC..Hα-helixtrans-67.1-38.3176.600000113.8L41 L307 M308 A309 V314 H315L41-G311 CarbonylContact O-C 3.58Å; L41-G311 VanDerWaalsContact O-CA 3.22Å; L41-G311 WeakPolarHBondContact O-CA 3.41Å; L307-G311 PolarHBondContact O-N 3.14Å; M308-G311 PolarHBondContact O-N 2.73Å; A309-G311 VanDerWaalsContact C-N 3.33Å; A309-G311 PolarHBondContact O-N 3.22Å; G311-V314 PolarHBondContact O-N 3.5Å; G311-H315 WeakPolarHBondContact O-CB 3.37Å; G311-H315 PolarHBondContact O-N 2.81Å
312I80.5Confident72.9Confident21 Ų2145.8 Ų45.811%0.10823%0.23CC..Hα-helixtrans-62.3-47.5172.6-66.9165.1000110.7L41 M308 A309 V314 H315 F316 V403L41-I312 HydrophobicContact CD1-CD1 4.42Å; L41-I312 HydrophobicContact CD2-CD1 4.48Å; L41-I312 HydrophobicContact CD2-CG1 4.07Å; M308-I312 HydrophobicContact CG-CD1 4.17Å; M308-I312 VanDerWaalsContact O-CG1 3.32Å; M308-I312 WeakPolarHBondContact O-CG1 3.15Å; M308-I312 PolarHBondContact O-N 3.49Å; A309-I312 PolarHBondContact O-N 2.73Å; I312-V314 VanDerWaalsContact C-N 3.31Å; I312-V314 PolarHBondContact O-N 2.75Å; I312-H315 PolarHBondContact O-N 3.5Å; I312-F316 HydrophobicContact CG2-CD2 3.78Å; I312-F316 HydrophobicContact CG2-CE2 3.83Å; I312-F316 WeakPolarHBondContact O-CD2 3.21Å; I312-F316 PolarHBondContact O-N 3.48Å; I312-F316 VanDerWaalsContact O-N 3.15Å; I312-V403 HydrophobicContact CB-CG1 3.89Å; I312-V403 HydrophobicContact CD1-CG1 4.17Å; I312-V403 HydrophobicContact CG2-CG1 3.71Å
313C76.6Confident71.6Confident5 Ų549.4 Ų49.43%0.03424%0.243CC..Hα-helixtrans-60.7-40.6179.3-68.30000112.3A309 A310 Q317 L318A309-C313 PolarHBondContact O-N 2.74Å; A309-C313 PolarHBondContact O-SG 3.17Å; A310-C313 PolarHBondContact O-N 3.01Å; C313-Q317 PolarHBondContact O-N 3.17Å; C313-L318 PolarHBondContact O-N 3.11Å
314V72.7Confident70.4Confident38 Ų3847.7 Ų47.723%0.2323%0.231CC..Hα-helixtrans-64.6-43.9175.2167.60000111.5P44 L45 A48 A310 G311 I312 F316 Q317P44-V314 HydrophobicContact CB-CB 4.38Å; P44-V314 HydrophobicContact CB-CG1 4.02Å; L45-V314 HydrophobicContact CD2-CG2 3.97Å; A48-V314 HydrophobicContact CB-CB 4.48Å; A48-V314 HydrophobicContact CB-CG1 3.57Å; A48-V314 HydrophobicContact CB-CG2 4.1Å; A310-V314 WeakPolarHBondContact O-CG2 3.24Å; A310-V314 PolarHBondContact O-N 3.09Å; G311-V314 PolarHBondContact O-N 3.5Å; I312-V314 VanDerWaalsContact C-N 3.31Å; I312-V314 PolarHBondContact O-N 2.75Å; V314-F316 VanDerWaalsContact C-N 3.33Å; V314-F316 PolarHBondContact O-N 2.8Å; V314-Q317 PolarHBondContact O-N 3.29Å; V314-Q317 VanDerWaalsContact O-N 3.09Å
315H71.7Confident68.9Low59 Ų5949.8 Ų49.827%0.27324%0.244SC..Hα-helixtrans-59.8-44-178.1-179.166000112.3P44 G311 I312 Q317 L662P44-H315 HydrophobicContact CB-CB 4.34Å; P44-H315 HydrophobicContact CG-CB 4.08Å; G311-H315 WeakPolarHBondContact O-CB 3.37Å; G311-H315 PolarHBondContact O-N 2.81Å; I312-H315 PolarHBondContact O-N 3.5Å; H315-Q317 PolarHBondContact O-N 2.64Å; H315-L662 HydrophobicContact CB-CD2 4.27Å; H315-L662 VanDerWaalsContact CE1-CD2 3.45Å; H315-L662 WeakPolarHBondContact CE1-CD2 3.33Å; H315-L662 VanDerWaalsContact CG-CD2 3.47Å; H315-L662 WeakPolarHBondContact ND1-CD2 3.49Å; H315-L662 WeakPolarHBondContact NE2-CD2 3.37Å
316F70Confident67.6Low119 Ų11952 Ų5252%0.52226%0.255SS..THydrogen-bonded Turntrans-79.63.2178.8-72.4-66.7000114.1I312 V314 L318I312-F316 HydrophobicContact CG2-CD2 3.78Å; I312-F316 HydrophobicContact CG2-CE2 3.83Å; I312-F316 WeakPolarHBondContact O-CD2 3.21Å; I312-F316 PolarHBondContact O-N 3.48Å; I312-F316 VanDerWaalsContact O-N 3.15Å; V314-F316 VanDerWaalsContact C-N 3.33Å; V314-F316 PolarHBondContact O-N 2.8Å; F316-L318 HydrophobicContact CB-CD1 3.87Å; F316-L318 HydrophobicContact CB-CG 3.75Å; F316-L318 PolarHBondContact O-N 3.36Å
317Q62.5Low66.8Low162 Ų16251.9 Ų51.976%0.75725%0.254SS*.THydrogen-bonded Turntrans52.834.5-174.7-56.21782.900112.1C313 V314 H315 T319C313-Q317 PolarHBondContact O-N 3.17Å; V314-Q317 PolarHBondContact O-N 3.29Å; V314-Q317 VanDerWaalsContact O-N 3.09Å; H315-Q317 PolarHBondContact O-N 2.64Å; Q317-T319 VanDerWaalsContact C-N 3.3Å; Q317-T319 PolarHBondContact O-N 3.48Å
318L62.8Low66Low75 Ų7548.2 Ų48.239%0.39324%0.235SC..  trans-74.688.4174.1-65.1168.4000107.1C313 F316C313-L318 PolarHBondContact O-N 3.11Å; F316-L318 HydrophobicContact CB-CD1 3.87Å; F316-L318 HydrophobicContact CB-CG 3.75Å; F316-L318 PolarHBondContact O-N 3.36Å
319T48.7Very low65.2Low62 Ų6249 Ų4938%0.3824%0.24SC..  trans-84.8116.8-170.456.30000113.4Q317 R581Q317-T319 VanDerWaalsContact C-N 3.3Å; Q317-T319 PolarHBondContact O-N 3.48Å; T319-R581 VanDerWaalsContact CB-NH2 3.3Å
320R52.7Low64.5Low88 Ų8850.3 Ų50.333%0.33225%0.245SC..  179106.8122.6-95.7-161.4-81.3-177.12.8107.6T322 E393 E396R320-T322 VanDerWaalsContact C-N 3.34Å; R320-T322 PolarHBondContact O-N 2.83Å; R320-E393 IonicContact NH1-OE1 2.74Å; R320-E393 IonicContact NH2-OE1 2.97Å; R320-E393 PolarHBondContact NH2-OE1 3.41Å; R320-E396 WeakPolarHBondContact CB-OE2 3.34Å; R320-E396 IonicContact CZ-OE1 3.05Å; R320-E396 IonicContact CZ-OE2 3.84Å; R320-E396 IonicContact NE-OE1 2.72Å; R320-E396 PolarHBondContact NE-OE1 2.95Å; R320-E396 IonicContact NE-OE2 2.76Å; R320-E396 PolarHBondContact NE-OE2 2.93Å; R320-E396 VanDerWaalsContact NH2-CD 3.32Å; R320-E396 IonicContact NH2-OE1 3.4Å; R320-E396 PolarHBondContact NH2-OE1 2.71Å; R320-E396 IonicContact NH2-OE2 3.48Å; R320-E396 PolarHBondContact NH2-OE2 3.16Å
321R52.8Low64.1Low61 Ų6152.4 Ų52.423%0.2325%0.254CS..Hα-helixtrans-73.6-13.2-167.7-65.1-171-175.2-159.24.4115.8A48 R49 W323 L324 V325A48-R321 VanDerWaalsContact CB-NH2 3.25Å; R49-R321 PolarHBondContact O-NH1 3.17Å; R49-R321 PolarHBondContact O-NH2 3.28Å; R321-W323 PolarHBondContact O-N 3.11Å; R321-L324 PolarHBondContact O-N 2.84Å; R321-V325 PolarHBondContact O-N 3.48Å
322T51.4Low63.6Low50 Ų5052.6 Ų52.631%0.30726%0.255SS..Hα-helixtrans-60.2-46.3-17147.70000112.2R320R320-T322 VanDerWaalsContact C-N 3.34Å; R320-T322 PolarHBondContact O-N 2.83Å
323W56.4Low63.1Low86 Ų8652.2 Ų52.233%0.32625%0.253SS..Hα-helixtrans-74.7-29.7179.2-66.1102.3000113.5R321 V325 E326 L327 F328R321-W323 PolarHBondContact O-N 3.11Å; W323-V325 VanDerWaalsContact C-N 3.3Å; W323-V325 PolarHBondContact O-N 3.1Å; W323-E326 PolarHBondContact O-N 3.06Å; W323-L327 HydrophobicContact CE3-CB 3.93Å; W323-L327 HydrophobicContact CE3-CD2 3.74Å; W323-L327 HydrophobicContact CE3-CG 4.33Å; W323-L327 HydrophobicContact CZ3-CD1 4.42Å; W323-L327 HydrophobicContact CZ3-CD2 3.83Å; W323-L327 PolarHBondContact O-N 3.49Å; W323-F328 PolarHBondContact O-N 3.46Å
324L54.9Low62.8Low25 Ų2553.3 Ų53.313%0.13126%0.26CS..Hα-helixtrans-63.3-36.1-180-177.871.3000111.9A310 R321 F328 P329 I400A310-L324 HydrophobicContact CB-CD2 3.86Å; R321-L324 PolarHBondContact O-N 2.84Å; L324-F328 HydrophobicContact CD1-CD1 3.63Å; L324-F328 HydrophobicContact CD1-CE1 4.25Å; L324-F328 HydrophobicContact CD1-CG 4.24Å; L324-P329 WeakPolarHBondContact O-CD 3.37Å; L324-I400 HydrophobicContact CB-CG2 4.46Å; L324-I400 HydrophobicContact CD1-CG2 3.34Å; L324-I400 HydrophobicContact CG-CG2 4.49Å
325V56Low62.7Low63 Ų6352.6 Ų52.638%0.38226%0.256SS..Hα-helixtrans-84.1-34.7-178.9-177.80000111.5Y264 L267 Y271 R321 W323 P329Y264-V325 HydrophobicContact CD1-CG1 4.32Å; Y264-V325 HydrophobicContact CE1-CG1 3.68Å; L267-V325 HydrophobicContact CD2-CG1 4.41Å; Y271-V325 PolarHBondContact OH-O 3.22Å; R321-V325 PolarHBondContact O-N 3.48Å; W323-V325 VanDerWaalsContact C-N 3.3Å; W323-V325 PolarHBondContact O-N 3.1Å; V325-P329 WeakPolarHBondContact O-CG 3.3Å
326E62.2Low62.8Low46 Ų4649.8 Ų49.822%0.21524%0.243CC..Hα-helixtrans-92-54.5-171.3-67.8-173.4146.500114.1R259 W323 Y330R259-E326 IonicContact CZ-OE1 2.83Å; R259-E326 IonicContact CZ-OE2 2.67Å; R259-E326 IonicContact NE-OE1 3.67Å; R259-E326 PolarHBondContact NE-OE1 3.22Å; R259-E326 IonicContact NH1-OE1 3.24Å; R259-E326 PolarHBondContact NH1-OE1 3.16Å; R259-E326 IonicContact NH1-OE2 3.56Å; R259-E326 PolarHBondContact NH1-OE2 3.36Å; R259-E326 IonicContact NH2-OE1 3.98Å; R259-E326 PolarHBondContact NH2-OE1 3.11Å; R259-E326 IonicContact NH2-OE2 3.48Å; R259-E326 PolarHBondContact NH2-OE2 3.25Å; W323-E326 PolarHBondContact O-N 3.06Å; E326-Y330 WeakPolarHBondContact O-CD2 3.1Å; E326-Y330 WeakPolarHBondContact O-CE2 3.44Å
327L62.1Low63Low34 Ų3444.8 Ų44.818%0.17822%0.221CC..THydrogen-bonded Turntrans-94.6-39.1-166.5-158.877.9000111.6W323 Y330 L331 F397 I537W323-L327 HydrophobicContact CE3-CB 3.93Å; W323-L327 HydrophobicContact CE3-CD2 3.74Å; W323-L327 HydrophobicContact CE3-CG 4.33Å; W323-L327 HydrophobicContact CZ3-CD1 4.42Å; W323-L327 HydrophobicContact CZ3-CD2 3.83Å; W323-L327 PolarHBondContact O-N 3.49Å; L327-Y330 PolarHBondContact O-N 3.38Å; L327-L331 PolarHBondContact O-N 3.33Å; L327-F397 HydrophobicContact CD2-CD2 3.8Å; L327-F397 HydrophobicContact CD2-CE2 3.45Å; L327-F397 VanDerWaalsContact CD2-CE2 3.45Å; L327-F397 HydrophobicContact CD2-CZ 4.17Å; L327-F397 HydrophobicContact CG-CE2 4.35Å; L327-I537 HydrophobicContact CD1-CG2 3.14Å; L327-I537 HydrophobicContact CG-CG2 4.33Å
328F67.4Low63.6Low5 Ų538.1 Ų38.12%0.02219%0.19CC..Hα-helixtrans-64.3-39.8-171.5176.2-112000114L306 A309 W323 L324 Y330 L331 A332 I400L306-F328 HydrophobicContact CD2-CD1 3.51Å; L306-F328 HydrophobicContact CD2-CE1 3.14Å; L306-F328 HydrophobicContact CD2-CZ 3.86Å; A309-F328 HydrophobicContact CB-CE1 4.06Å; A309-F328 HydrophobicContact CB-CZ 4.32Å; W323-F328 PolarHBondContact O-N 3.46Å; L324-F328 HydrophobicContact CD1-CD1 3.63Å; L324-F328 HydrophobicContact CD1-CE1 4.25Å; L324-F328 HydrophobicContact CD1-CG 4.24Å; F328-Y330 VanDerWaalsContact C-N 3.27Å; F328-Y330 PolarHBondContact O-N 3.21Å; F328-L331 PolarHBondContact O-N 2.66Å; F328-L331 VanDerWaalsContact O-N 3.14Å; F328-A332 HydrophobicContact CE1-CB 4.49Å; F328-A332 HydrophobicContact CE2-CB 4.19Å; F328-A332 HydrophobicContact CZ-CB 3.93Å; F328-A332 WeakPolarHBondContact O-CB 2.95Å; F328-A332 PolarHBondContact O-N 3.49Å; F328-I400 HydrophobicContact CB-CG2 4.42Å; F328-I400 HydrophobicContact CD1-CG2 4.42Å; F328-I400 HydrophobicContact CD2-CG2 4.28Å; F328-I400 HydrophobicContact CG-CG2 4.09Å
329P67Low64.5Low15 Ų1535.4 Ų35.410%0.09718%0.176CC..Hα-helixtrans-62-34.7176.5-24.636.8000113Y271 L306 L324 V325 L333Y271-P329 HydrophobicContact CE1-CB 3.83Å; Y271-P329 WeakPolarHBondContact OH-CB 3.27Å; Y271-P329 VanDerWaalsContact OH-CG 3.3Å; Y271-P329 WeakPolarHBondContact OH-CG 3.35Å; L306-P329 HydrophobicContact CD1-CB 3.69Å; L306-P329 HydrophobicContact CD1-CG 4.11Å; L306-P329 HydrophobicContact CD2-CB 4.31Å; L306-P329 HydrophobicContact CD2-CG 4.35Å; L324-P329 WeakPolarHBondContact O-CD 3.37Å; V325-P329 WeakPolarHBondContact O-CG 3.3Å; P329-L333 WeakPolarHBondContact O-CB 3.11Å; P329-L333 PolarHBondContact O-N 3.5Å
330Y68.9Low66.1Low29 Ų2932.6 Ų32.611%0.11416%0.159CC..Hα-helixtrans-65.5-44.1174.1-63.2-73.1000111.7L267 S270 Y271 E326 L327 F328 V334 I537L267-Y330 HydrophobicContact CD1-CD2 4.49Å; L267-Y330 HydrophobicContact CD1-CE2 3.38Å; L267-Y330 VanDerWaalsContact CD1-CZ 3.44Å; L267-Y330 WeakPolarHBondContact CD1-OH 3.12Å; S270-Y330 WeakPolarHBondContact CB-OH 2.99Å; S270-Y330 VanDerWaalsContact OG-CE1 3.3Å; S270-Y330 WeakPolarHBondContact OG-CE1 3.17Å; S270-Y330 VanDerWaalsContact OG-CZ 3.32Å; S270-Y330 PolarHBondContact OG-OH 2.78Å; Y271-Y330 HydrophobicContact CD1-CE1 4.3Å; Y271-Y330 HydrophobicContact CE1-CD1 4.1Å; Y271-Y330 AromaticContact CE1-CE1 3.93Å; Y271-Y330 HydrophobicContact CE1-CE1 3.93Å; Y271-Y330 HydrophobicContact CE1-CG 4.49Å; E326-Y330 WeakPolarHBondContact O-CD2 3.1Å; E326-Y330 WeakPolarHBondContact O-CE2 3.44Å; L327-Y330 PolarHBondContact O-N 3.38Å; F328-Y330 VanDerWaalsContact C-N 3.27Å; F328-Y330 PolarHBondContact O-N 3.21Å; Y330-V334 VanDerWaalsContact O-CB 3.27Å; Y330-V334 WeakPolarHBondContact O-CB 3.49Å; Y330-V334 WeakPolarHBondContact O-CG2 3.2Å; Y330-V334 PolarHBondContact O-N 3.36Å; Y330-I537 HydrophobicContact CD2-CD1 4.5Å; Y330-I537 HydrophobicContact CG-CD1 4.2Å
331L69.7Low67.3Low57 Ų5729.7 Ų29.730%0.29815%0.15SC..Hα-helixtrans-62.5-50.1177.7-177.867.4000111.1L327 F328 L333 V334 V335 F397 A401L327-L331 PolarHBondContact O-N 3.33Å; F328-L331 PolarHBondContact O-N 2.66Å; F328-L331 VanDerWaalsContact O-N 3.14Å; L331-L333 VanDerWaalsContact C-N 3.3Å; L331-L333 PolarHBondContact O-N 2.97Å; L331-V334 PolarHBondContact O-N 3.28Å; L331-V335 HydrophobicContact CD1-CG2 4.05Å; L331-V335 HydrophobicContact CG-CG2 4.43Å; L331-V335 WeakPolarHBondContact O-CB 3.49Å; L331-V335 VanDerWaalsContact O-CG2 3.3Å; L331-V335 WeakPolarHBondContact O-CG2 3.3Å; L331-V335 PolarHBondContact O-N 2.75Å; L331-F397 HydrophobicContact CD2-CE2 4.41Å; L331-F397 HydrophobicContact CD2-CZ 4.02Å; L331-A401 HydrophobicContact CD2-CB 3.82Å
332A68.7Low68.4Low4 Ų427.9 Ų27.93%0.03315%0.146CC..Hα-helixtrans-60.2-42.3-17900000111.7L306 F328 G336L306-A332 HydrophobicContact CD2-CB 3.73Å; F328-A332 HydrophobicContact CE1-CB 4.49Å; F328-A332 HydrophobicContact CE2-CB 4.19Å; F328-A332 HydrophobicContact CZ-CB 3.93Å; F328-A332 WeakPolarHBondContact O-CB 2.95Å; F328-A332 PolarHBondContact O-N 3.49Å; A332-G336 WeakPolarHBondContact O-CA 3.39Å; A332-G336 PolarHBondContact O-N 2.8Å
333L70.4Confident69.8Low13 Ų1325.7 Ų25.77%0.06813%0.132CC..Hα-helixtrans-68.2-46.8175.7164.895.2000112.8L274 L278 V302 P329 L331 G336 M337L274-L333 HydrophobicContact CD1-CD1 3.96Å; L274-L333 HydrophobicContact CD1-CD2 3.36Å; L274-L333 HydrophobicContact CD1-CG 3.83Å; L274-L333 HydrophobicContact CD2-CD1 3.37Å; L274-L333 HydrophobicContact CD2-CD2 2.91Å; L274-L333 HydrophobicContact CD2-CG 3.52Å; L274-L333 HydrophobicContact CG-CD1 3.71Å; L274-L333 HydrophobicContact CG-CD2 3.52Å; L274-L333 HydrophobicContact CG-CG 3.96Å; L278-L333 HydrophobicContact CD1-CD1 3.99Å; V302-L333 HydrophobicContact CG1-CB 4.08Å; V302-L333 HydrophobicContact CG1-CD1 4.38Å; P329-L333 WeakPolarHBondContact O-CB 3.11Å; P329-L333 PolarHBondContact O-N 3.5Å; L331-L333 VanDerWaalsContact C-N 3.3Å; L331-L333 PolarHBondContact O-N 2.97Å; L333-G336 PolarHBondContact O-N 3.41Å; L333-M337 WeakPolarHBondContact O-CA 3.34Å; L333-M337 WeakPolarHBondContact O-CB 3.23Å; L333-M337 PolarHBondContact O-N 3.3Å
334V69.9Low70.9Confident28 Ų2821.6 Ų21.617%0.1712%0.117CC..Hα-helixtrans-64.6-47.1-176.7167.90000109.9Y330 L331 E338 M530 V533Y330-V334 VanDerWaalsContact O-CB 3.27Å; Y330-V334 WeakPolarHBondContact O-CB 3.49Å; Y330-V334 WeakPolarHBondContact O-CG2 3.2Å; Y330-V334 PolarHBondContact O-N 3.36Å; L331-V334 PolarHBondContact O-N 3.28Å; V334-E338 PolarHBondContact O-N 2.87Å; V334-M530 HydrophobicContact CG1-CB 4.43Å; V334-M530 HydrophobicContact CG1-CE 3.38Å; V334-M530 HydrophobicContact CG1-CG 3.52Å; V334-M530 HydrophobicContact CG1-SD 3.99Å; V334-V533 HydrophobicContact CG2-CG1 4.47Å
335V70.5Confident72Confident23 Ų2328 Ų2814%0.13914%0.139CC..Hα-helixtrans-63.3-48.8175170.50000110.5L331 M337 E338 N339 F405L331-V335 HydrophobicContact CD1-CG2 4.05Å; L331-V335 HydrophobicContact CG-CG2 4.43Å; L331-V335 WeakPolarHBondContact O-CB 3.49Å; L331-V335 VanDerWaalsContact O-CG2 3.3Å; L331-V335 WeakPolarHBondContact O-CG2 3.3Å; L331-V335 PolarHBondContact O-N 2.75Å; V335-M337 PolarHBondContact O-N 2.89Å; V335-E338 PolarHBondContact O-N 3.43Å; V335-N339 PolarHBondContact O-N 3.19Å; V335-F405 HydrophobicContact CG1-CD2 3.81Å; V335-F405 HydrophobicContact CG1-CE2 3.43Å; V335-F405 VanDerWaalsContact CG1-CE2 3.43Å; V335-F405 HydrophobicContact CG1-CZ 4.5Å; V335-F405 HydrophobicContact CG2-CE2 4.45Å
336G73.9Confident73.2Confident0 Ų025.3 Ų25.30%012%0.123CC..Hα-helixtrans-70.3-33.8-17400000113.1A332 L333 N339 I340 D408A332-G336 WeakPolarHBondContact O-CA 3.39Å; A332-G336 PolarHBondContact O-N 2.8Å; L333-G336 PolarHBondContact O-N 3.41Å; G336-N339 PolarHBondContact O-N 2.74Å; G336-I340 VanDerWaalsContact O-CB 3.24Å; G336-I340 WeakPolarHBondContact O-CB 3.14Å; G336-I340 WeakPolarHBondContact O-CD1 3.43Å; G336-I340 WeakPolarHBondContact O-CG1 2.88Å; G336-I340 PolarHBondContact O-N 3.18Å; G336-D408 VanDerWaalsContact CA-OD2 3.32Å; G336-D408 WeakPolarHBondContact CA-OD2 3.45Å
337M74.1Confident74Confident15 Ų1523.1 Ų23.17%0.07411%0.113CC..Hα-helixtrans-64.4-44.6176.2175.5174.2179.900112.2Y277 L278 C281 L333 V335 N339 I340 L341Y277-M337 HydrophobicContact CD1-CE 3.38Å; Y277-M337 HydrophobicContact CD1-SD 3.8Å; Y277-M337 HydrophobicContact CE1-CE 3.09Å; Y277-M337 HydrophobicContact CE1-SD 3.68Å; L278-M337 HydrophobicContact CD2-CB 4.25Å; L278-M337 HydrophobicContact CD2-CE 3.61Å; L278-M337 HydrophobicContact CD2-CG 3.54Å; L278-M337 HydrophobicContact CD2-SD 3.42Å; L278-M337 WeakPolarHBondContact CD2-SD 3.33Å; L278-M337 HydrophobicContact CG-CE 4.12Å; L278-M337 HydrophobicContact CG-SD 3.86Å; C281-M337 HydrophobicContact CB-CE 4.09Å; L333-M337 WeakPolarHBondContact O-CA 3.34Å; L333-M337 WeakPolarHBondContact O-CB 3.23Å; L333-M337 PolarHBondContact O-N 3.3Å; V335-M337 PolarHBondContact O-N 2.89Å; M337-N339 VanDerWaalsContact C-N 3.31Å; M337-N339 PolarHBondContact O-N 3.4Å; M337-I340 PolarHBondContact O-N 3.38Å; M337-L341 HydrophobicContact CE-CD1 3.52Å; M337-L341 HydrophobicContact CE-CG 4.43Å; M337-L341 HydrophobicContact CG-CD1 3.97Å; M337-L341 HydrophobicContact CG-CG 4.27Å; M337-L341 WeakPolarHBondContact O-CB 3.43Å; M337-L341 WeakPolarHBondContact O-CG 3.46Å; M337-L341 PolarHBondContact O-N 3.28Å
338E75.1Confident74.6Confident22 Ų2222.2 Ų22.210%0.10311%0.108CC..Hα-helixtrans-59.1-47.2178.4-172.1-179.9173.200110.2V334 V335 L341 C342V334-E338 PolarHBondContact O-N 2.87Å; V335-E338 PolarHBondContact O-N 3.43Å; E338-L341 PolarHBondContact O-N 3.19Å; E338-C342 WeakPolarHBondContact O-CB 3.46Å; E338-C342 PolarHBondContact O-N 2.99Å
339N82.1Confident74.6Confident17 Ų1724.5 Ų24.59%0.09113%0.125CC..Hα-helixtrans-63.5-45.9179.2-67.9-17.6000112.1V335 G336 M337 L341 C342 M343 L371 Q412V335-N339 PolarHBondContact O-N 3.19Å; G336-N339 PolarHBondContact O-N 2.74Å; M337-N339 VanDerWaalsContact C-N 3.31Å; M337-N339 PolarHBondContact O-N 3.4Å; N339-L341 PolarHBondContact O-N 2.91Å; N339-C342 PolarHBondContact O-N 2.87Å; N339-M343 VanDerWaalsContact O-CB 3.23Å; N339-M343 WeakPolarHBondContact O-CB 3.38Å; N339-M343 PolarHBondContact O-N 3.41Å; N339-L371 HydrophobicContact CB-CD1 3.61Å; N339-L371 WeakPolarHBondContact ND2-CD1 3.47Å; N339-Q412 VanDerWaalsContact CB-OE1 3.32Å; N339-Q412 PolarHBondContact ND2-OE1 3.33Å
340I82.2Confident74.9Confident4 Ų423.8 Ų23.82%0.02112%0.121CC..Hα-helixtrans-59.9-46.4177.6-78.5166.5000111.4A298 T301 G336 M337 T344 Q412 Y416A298-I340 HydrophobicContact CB-CD1 4.38Å; A298-I340 HydrophobicContact CB-CG2 3.92Å; T301-I340 VanDerWaalsContact OG1-CD1 3.31Å; T301-I340 WeakPolarHBondContact OG1-CD1 3.4Å; G336-I340 VanDerWaalsContact O-CB 3.24Å; G336-I340 WeakPolarHBondContact O-CB 3.14Å; G336-I340 WeakPolarHBondContact O-CD1 3.43Å; G336-I340 WeakPolarHBondContact O-CG1 2.88Å; G336-I340 PolarHBondContact O-N 3.18Å; M337-I340 PolarHBondContact O-N 3.38Å; I340-T344 WeakPolarHBondContact O-CB 3.26Å; I340-T344 PolarHBondContact O-N 3.4Å; I340-T344 PolarHBondContact O-OG1 2.84Å; I340-Q412 HydrophobicContact CD1-CG 4.48Å; I340-Q412 HydrophobicContact CG1-CG 4.11Å; I340-Y416 HydrophobicContact CB-CE1 4.23Å; I340-Y416 HydrophobicContact CG1-CD1 4.1Å; I340-Y416 HydrophobicContact CG1-CE1 4.27Å; I340-Y416 HydrophobicContact CG1-CG 4.26Å; I340-Y416 HydrophobicContact CG2-CD1 4.3Å; I340-Y416 HydrophobicContact CG2-CE1 3.63Å; I340-Y416 HydrophobicContact CG2-CE2 3.91Å; I340-Y416 WeakPolarHBondContact CG2-OH 3.14Å
341L77.1Confident74.9Confident27 Ų2724.1 Ų24.114%0.14113%0.126CC..Hα-helixtrans-68-43.2-179.9-73.5179.4000112C281 I285 M337 E338 N339 M343 T344 R345C281-L341 HydrophobicContact CB-CD1 4.23Å; C281-L341 HydrophobicContact CB-CD2 4.27Å; I285-L341 HydrophobicContact CD1-CD2 4.44Å; M337-L341 HydrophobicContact CE-CD1 3.52Å; M337-L341 HydrophobicContact CE-CG 4.43Å; M337-L341 HydrophobicContact CG-CD1 3.97Å; M337-L341 HydrophobicContact CG-CG 4.27Å; M337-L341 WeakPolarHBondContact O-CB 3.43Å; M337-L341 WeakPolarHBondContact O-CG 3.46Å; M337-L341 PolarHBondContact O-N 3.28Å; E338-L341 PolarHBondContact O-N 3.19Å; N339-L341 PolarHBondContact O-N 2.91Å; L341-M343 VanDerWaalsContact C-N 3.35Å; L341-T344 PolarHBondContact O-N 3.43Å; L341-R345 WeakPolarHBondContact O-CB 3.26Å; L341-R345 PolarHBondContact O-N 3.38Å
342C76.4Confident74.9Confident22 Ų2222.1 Ų22.115%0.14912%0.117CC..Hα-helixtrans-59.7-46.5176-83.30000111.3E338 N339 R345 S346 E367E338-C342 WeakPolarHBondContact O-CB 3.46Å; E338-C342 PolarHBondContact O-N 2.99Å; N339-C342 PolarHBondContact O-N 2.87Å; C342-R345 PolarHBondContact O-N 3.02Å; C342-S346 WeakPolarHBondContact O-CB 3.43Å; C342-S346 PolarHBondContact O-N 3.45Å; C342-S346 PolarHBondContact O-OG 2.91Å; C342-E367 HydrophobicContact CB-CG 3.95Å
343M81.9Confident74.8Confident5 Ų530.1 Ų30.13%0.02515%0.153CC..Hα-helixtrans-63.4-42.7176.5178.417716600112.5N339 L341 R345 S346 V347 L364 Y416 A417 L420N339-M343 VanDerWaalsContact O-CB 3.23Å; N339-M343 WeakPolarHBondContact O-CB 3.38Å; N339-M343 PolarHBondContact O-N 3.41Å; L341-M343 VanDerWaalsContact C-N 3.35Å; M343-R345 VanDerWaalsContact C-N 3.34Å; M343-R345 PolarHBondContact O-N 3.15Å; M343-S346 PolarHBondContact O-N 3.38Å; M343-S346 PolarHBondContact O-OG 3.31Å; M343-V347 VanDerWaalsContact O-CG2 3.29Å; M343-V347 WeakPolarHBondContact O-CG2 3.42Å; M343-V347 PolarHBondContact O-N 3.07Å; M343-V347 VanDerWaalsContact O-N 3.08Å; M343-L364 HydrophobicContact CE-CD1 4.21Å; M343-L364 HydrophobicContact CE-CD2 3.28Å; M343-L364 HydrophobicContact CE-CG 3.86Å; M343-L364 HydrophobicContact CG-CD2 3.95Å; M343-L364 HydrophobicContact SD-CD2 3.61Å; M343-Y416 HydrophobicContact CE-CD1 4.4Å; M343-Y416 HydrophobicContact SD-CD1 4.13Å; M343-A417 VanDerWaalsContact CE-CA 3.47Å; M343-A417 HydrophobicContact CE-CB 3.36Å; M343-L420 HydrophobicContact CE-CD2 4.19Å
344T79.5Confident74.8Confident0 Ų032.6 Ų32.60%017%0.166CC..Hα-helixtrans-62.9-45.3177.4-54.20000110.3I285 L294 I340 L341 V348 Y416 L420I285-T344 HydrophobicContact CD1-CG2 3.96Å; L294-T344 HydrophobicContact CD1-CG2 3.98Å; L294-T344 HydrophobicContact CD2-CG2 3.81Å; I340-T344 WeakPolarHBondContact O-CB 3.26Å; I340-T344 PolarHBondContact O-N 3.4Å; I340-T344 PolarHBondContact O-OG1 2.84Å; L341-T344 PolarHBondContact O-N 3.43Å; T344-V348 HydrophobicContact CG2-CG2 4.21Å; T344-V348 WeakPolarHBondContact O-CB 3.47Å; T344-V348 WeakPolarHBondContact O-CG2 3.33Å; T344-V348 PolarHBondContact O-N 3.05Å; T344-Y416 WeakPolarHBondContact OG1-CE1 3.39Å; T344-Y416 PolarHBondContact OG1-OH 3.33Å; T344-L420 HydrophobicContact CG2-CD1 4.21Å
345R77.8Confident75.3Confident159 Ų15935.1 Ų35.160%0.618%0.179SC*.Hα-helixtrans-63.3-43.8178.2-177.6179.5175.3160.7-0.5111.9L341 C342 M343 V348 S349L341-R345 WeakPolarHBondContact O-CB 3.26Å; L341-R345 PolarHBondContact O-N 3.38Å; C342-R345 PolarHBondContact O-N 3.02Å; M343-R345 VanDerWaalsContact C-N 3.34Å; M343-R345 PolarHBondContact O-N 3.15Å; R345-V348 PolarHBondContact O-N 3.42Å; R345-S349 WeakPolarHBondContact O-CB 3.14Å; R345-S349 PolarHBondContact O-N 2.93Å; R345-S349 PolarHBondContact O-OG 2.9Å
346S79.7Confident75.7Confident7 Ų735.2 Ų35.25%0.04918%0.179CC..Hα-helixtrans-63.7-45.6-179.367.90000110.9C342 M343 S349 T350 G363C342-S346 WeakPolarHBondContact O-CB 3.43Å; C342-S346 PolarHBondContact O-N 3.45Å; C342-S346 PolarHBondContact O-OG 2.91Å; M343-S346 PolarHBondContact O-N 3.38Å; M343-S346 PolarHBondContact O-OG 3.31Å; S346-S349 PolarHBondContact O-N 3.37Å; S346-S349 PolarHBondContact O-OG 3.05Å; S346-T350 PolarHBondContact O-N 2.93Å; S346-G363 WeakPolarHBondContact CB-O 3.14Å; S346-G363 PolarHBondContact OG-O 3.4Å
347V80.1Confident76.1Confident0 Ų037.4 Ų37.40%019%0.194CC..Hα-helixtrans-66.2-42.8177.4177.10000111.8M343 S349 T350 V360 L420 L424M343-V347 VanDerWaalsContact O-CG2 3.29Å; M343-V347 WeakPolarHBondContact O-CG2 3.42Å; M343-V347 PolarHBondContact O-N 3.07Å; M343-V347 VanDerWaalsContact O-N 3.08Å; V347-S349 VanDerWaalsContact C-N 3.28Å; V347-S349 PolarHBondContact O-N 3.48Å; V347-T350 WeakPolarHBondContact O-CB 3.48Å; V347-T350 PolarHBondContact O-N 3.33Å; V347-T350 PolarHBondContact O-OG1 2.89Å; V347-V360 HydrophobicContact CG1-CB 4.45Å; V347-V360 HydrophobicContact CG1-CG2 3.99Å; V347-L420 HydrophobicContact CB-CD2 3.89Å; V347-L420 HydrophobicContact CG1-CD2 4.06Å; V347-L420 HydrophobicContact CG1-CG 4.49Å; V347-L420 HydrophobicContact CG2-CD2 3.85Å; V347-L424 HydrophobicContact CG1-CD1 3.32Å
348V74.1Confident76.4Confident14 Ų1437 Ų379%0.08519%0.193CC..Hα-helixtrans-68.1-28.6176.61700000111.9I285 M287 T344 R345 T350 R439I285-V348 HydrophobicContact CG2-CG1 4.23Å; I285-V348 HydrophobicContact CG2-CG2 4.32Å; M287-V348 HydrophobicContact CB-CG1 3.42Å; M287-V348 VanDerWaalsContact CB-CG1 3.42Å; M287-V348 HydrophobicContact CG-CG1 4.29Å; M287-V348 HydrophobicContact SD-CG1 4.06Å; T344-V348 HydrophobicContact CG2-CG2 4.21Å; T344-V348 WeakPolarHBondContact O-CB 3.47Å; T344-V348 WeakPolarHBondContact O-CG2 3.33Å; T344-V348 PolarHBondContact O-N 3.05Å; R345-V348 PolarHBondContact O-N 3.42Å; V348-T350 VanDerWaalsContact C-N 3.26Å; V348-T350 PolarHBondContact O-N 2.9Å; V348-R439 PolarHBondContact O-NH2 2.81Å
349S68.6Low76.7Confident53 Ų5336.3 Ų36.337%0.37119%0.189SC..Hα-helixtrans-69.4-23.6177.973.60000113.1R345 S346 V347 R439R345-S349 WeakPolarHBondContact O-CB 3.14Å; R345-S349 PolarHBondContact O-N 2.93Å; R345-S349 PolarHBondContact O-OG 2.9Å; S346-S349 PolarHBondContact O-N 3.37Å; S346-S349 PolarHBondContact O-OG 3.05Å; V347-S349 VanDerWaalsContact C-N 3.28Å; V347-S349 PolarHBondContact O-N 3.48Å; S349-R439 PolarHBondContact O-NH1 3.3Å
350T72.7Confident76.8Confident1 Ų135.5 Ų35.51%0.00619%0.185CC..SBendtrans-60.1147.7177.166.20000112.3S346 V347 V348 R359 H362 L447S346-T350 PolarHBondContact O-N 2.93Å; V347-T350 WeakPolarHBondContact O-CB 3.48Å; V347-T350 PolarHBondContact O-N 3.33Å; V347-T350 PolarHBondContact O-OG1 2.89Å; V348-T350 VanDerWaalsContact C-N 3.26Å; V348-T350 PolarHBondContact O-N 2.9Å; T350-R359 WeakPolarHBondContact OG1-CB 3.29Å; T350-R359 WeakPolarHBondContact OG1-CG 3.49Å; T350-R359 PolarHBondContact OG1-NE 2.97Å; T350-H362 HydrophobicContact CG2-CB 4.04Å; T350-L447 HydrophobicContact CG2-CD2 4.45Å
351P68.8Low76.9Confident36 Ų3635.3 Ų35.323%0.23418%0.184CC..  trans-66.1142.8-178.329.6-37.8000111.4Q353 L354 L447P351-Q353 PolarHBondContact O-N 3.5Å; P351-L354 HydrophobicContact CG-CD1 3.69Å; P351-L354 HydrophobicContact CG-CG 4.02Å; P351-L354 PolarHBondContact O-N 3.39Å; P351-L447 HydrophobicContact CG-CD1 3.33Å
352T68.7Low77.1Confident15 Ų1534.4 Ų34.49%0.09218%0.179CC..THydrogen-bonded Turntrans-70.5-13.3-17936.80000114.2M287 L354 L435 N436M287-T352 HydrophobicContact CE-CG2 3.98Å; M287-T352 HydrophobicContact SD-CG2 4.21Å; T352-L354 VanDerWaalsContact C-N 3.28Å; T352-L435 HydrophobicContact CG2-CB 4.06Å; T352-L435 HydrophobicContact CG2-CD1 4.13Å; T352-N436 WeakPolarHBondContact CB-OD1 3.24Å; T352-N436 PolarHBondContact OG1-OD1 3.37Å
353Q66.7Low77.3Confident172 Ų17233.4 Ų33.480%0.80417%0.172SC*.THydrogen-bonded Turntrans-70.2-26175.1-62.5171.53.200112.6P351P351-Q353 PolarHBondContact O-N 3.5Å
354L71.9Confident77.4Confident64 Ų6433.3 Ų33.334%0.33517%0.172SC..SBendtrans-75.6147.7179.3-73.4175.9000111.4P351 T352 S358 R359 L447P351-L354 HydrophobicContact CG-CD1 3.69Å; P351-L354 HydrophobicContact CG-CG 4.02Å; P351-L354 PolarHBondContact O-N 3.39Å; T352-L354 VanDerWaalsContact C-N 3.28Å; L354-S358 WeakPolarHBondContact CB-OG 3.5Å; L354-R359 HydrophobicContact CB-CG 3.72Å; L354-R359 WeakPolarHBondContact O-CD 3.38Å; L354-L447 HydrophobicContact CD1-CD1 4.47Å
355D78.6Confident77.4Confident81 Ų8133.3 Ų33.343%0.43317%0.172SC..  trans-60149.9171.863.3-58.8000111.1C357 S358 R359D355-C357 PolarHBondContact O-N 3.25Å; D355-C357 VanDerWaalsContact O-N 3.14Å; D355-C357 WeakPolarHBondContact OD2-CB 3.09Å; D355-S358 VanDerWaalsContact CG-OG 3.31Å; D355-S358 PolarHBondContact N-OG 3.4Å; D355-S358 PolarHBondContact O-N 2.74Å; D355-S358 PolarHBondContact O-OG 2.97Å; D355-S358 WeakPolarHBondContact OD1-CB 3.26Å; D355-S358 PolarHBondContact OD1-OG 3.48Å; D355-S358 PolarHBondContact OD2-N 2.98Å; D355-R359 WeakPolarHBondContact O-CG 3.16Å; D355-R359 PolarHBondContact O-N 2.94Å
356V78.9Confident77.5Confident26 Ų2629.1 Ų29.116%0.15816%0.161CC..Hα-helixtrans-54.3-39.6-177176.50000111.6R359 V360 L424 A425V356-R359 PolarHBondContact O-N 3.47Å; V356-V360 WeakPolarHBondContact O-CG2 3.45Å; V356-V360 PolarHBondContact O-N 2.88Å; V356-V360 VanDerWaalsContact O-N 3.12Å; V356-L424 HydrophobicContact CG1-CB 3.71Å; V356-A425 HydrophobicContact CG1-CB 4.3Å
357C83.1Confident77.5Confident46 Ų4630.3 Ų30.331%0.31117%0.166SC..Hα-helixtrans-64.3-42179.3-55.80000112.5C24 D355 A361C24-C357 HydrophobicContact CB-CB 3.63Å; C24-C357 WeakPolarHBondContact CB-SG 3.18Å; D355-C357 PolarHBondContact O-N 3.25Å; D355-C357 VanDerWaalsContact O-N 3.14Å; D355-C357 WeakPolarHBondContact OD2-CB 3.09Å; C357-A361 VanDerWaalsContact O-CB 3.3Å; C357-A361 WeakPolarHBondContact O-CB 3.21Å; C357-A361 PolarHBondContact O-N 3.34Å; C357-A361 VanDerWaalsContact O-N 3.14Å
358S81Confident77.5Confident7 Ų730.4 Ų30.45%0.04917%0.166CC..Hα-helixtrans-75.2-30.6177.1690000113L354 D355 A361 H362L354-S358 WeakPolarHBondContact CB-OG 3.5Å; D355-S358 VanDerWaalsContact CG-OG 3.31Å; D355-S358 PolarHBondContact N-OG 3.4Å; D355-S358 PolarHBondContact O-N 2.74Å; D355-S358 PolarHBondContact O-OG 2.97Å; D355-S358 WeakPolarHBondContact OD1-CB 3.26Å; D355-S358 PolarHBondContact OD1-OG 3.48Å; D355-S358 PolarHBondContact OD2-N 2.98Å; S358-A361 PolarHBondContact O-N 2.95Å; S358-H362 WeakPolarHBondContact O-CB 3.09Å; S358-H362 PolarHBondContact O-N 3.44Å
359R80.9Confident77.9Confident6 Ų633 Ų332%0.02318%0.175CC..Hα-helixtrans-59.9-50.1173.1-71.6179.966.2-162.41.5111.8T350 L354 D355 V356 H362 G363T350-R359 WeakPolarHBondContact OG1-CB 3.29Å; T350-R359 WeakPolarHBondContact OG1-CG 3.49Å; T350-R359 PolarHBondContact OG1-NE 2.97Å; L354-R359 HydrophobicContact CB-CG 3.72Å; L354-R359 WeakPolarHBondContact O-CD 3.38Å; D355-R359 WeakPolarHBondContact O-CG 3.16Å; D355-R359 PolarHBondContact O-N 2.94Å; V356-R359 PolarHBondContact O-N 3.47Å; R359-H362 PolarHBondContact O-N 3Å; R359-G363 PolarHBondContact O-N 3.33Å
360V83.9Confident78.4Confident0 Ų031.4 Ų31.40%016%0.163CC..Hα-helixtrans-63.5-44.8177.3174.10000110.9C24 V347 V356 H362 L364 A421 L424C24-V360 WeakPolarHBondContact SG-CB 3.31Å; V347-V360 HydrophobicContact CG1-CB 4.45Å; V347-V360 HydrophobicContact CG1-CG2 3.99Å; V356-V360 WeakPolarHBondContact O-CG2 3.45Å; V356-V360 PolarHBondContact O-N 2.88Å; V356-V360 VanDerWaalsContact O-N 3.12Å; V360-H362 VanDerWaalsContact C-N 3.34Å; V360-H362 PolarHBondContact O-N 3.08Å; V360-L364 HydrophobicContact CG1-CD1 3.85Å; V360-L364 HydrophobicContact CG1-CG 4.48Å; V360-L364 VanDerWaalsContact O-CB 3.27Å; V360-L364 WeakPolarHBondContact O-CB 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.36Å; V360-L364 PolarHBondContact O-N 3.18Å; V360-A421 HydrophobicContact CG1-CB 4.45Å; V360-A421 HydrophobicContact CG2-CB 3.91Å; V360-L424 HydrophobicContact CG2-CD1 3.7Å
361A83.8Confident78.8Confident0 Ų031.9 Ų31.90%017%0.165CC..Hα-helixtrans-59.4-44.1176.900000112.7Y17 R21 C357 S358 G365Y17-A361 WeakPolarHBondContact CA-O 3.24Å; Y17-A361 VanDerWaalsContact CD2-C 3.45Å; Y17-A361 HydrophobicContact CD2-CB 3.56Å; Y17-A361 WeakPolarHBondContact CD2-O 3.25Å; Y17-A361 HydrophobicContact CE2-CB 3.59Å; Y17-A361 HydrophobicContact CG-CB 4.11Å; Y17-A361 VanDerWaalsContact O-CB 3.32Å; Y17-A361 WeakPolarHBondContact O-CB 3.44Å; R21-A361 HydrophobicContact CB-CB 4.44Å; R21-A361 HydrophobicContact CG-CB 3.57Å; C357-A361 VanDerWaalsContact O-CB 3.3Å; C357-A361 WeakPolarHBondContact O-CB 3.21Å; C357-A361 PolarHBondContact O-N 3.34Å; C357-A361 VanDerWaalsContact O-N 3.14Å; S358-A361 PolarHBondContact O-N 2.95Å; A361-G365 PolarHBondContact O-N 3.32Å
362H81.4Confident79.5Confident9 Ų930.5 Ų30.54%0.04216%0.156CC..Hα-helixtrans-69.9-45.6-179-166.3-74.7000112T350 S358 R359 V360 L364 G365 I366 L447 P448 Y450T350-H362 HydrophobicContact CG2-CB 4.04Å; S358-H362 WeakPolarHBondContact O-CB 3.09Å; S358-H362 PolarHBondContact O-N 3.44Å; R359-H362 PolarHBondContact O-N 3Å; V360-H362 VanDerWaalsContact C-N 3.34Å; V360-H362 PolarHBondContact O-N 3.08Å; H362-L364 PolarHBondContact O-N 3.48Å; H362-G365 PolarHBondContact O-N 2.91Å; H362-G365 VanDerWaalsContact O-N 3.1Å; H362-I366 WeakPolarHBondContact CE1-CD1 3.07Å; H362-I366 VanDerWaalsContact ND1-CD1 3.29Å; H362-I366 WeakPolarHBondContact ND1-CD1 3.09Å; H362-I366 WeakPolarHBondContact O-CG1 3.49Å; H362-I366 PolarHBondContact O-N 2.71Å; H362-L447 WeakPolarHBondContact CE1-CD2 3.32Å; H362-L447 VanDerWaalsContact ND1-CD2 3.25Å; H362-L447 WeakPolarHBondContact ND1-CD2 3.42Å; H362-L447 WeakPolarHBondContact NE2-CB 3.33Å; H362-P448 PolarHBondContact CD2-O 2.77Å; H362-P448 VanDerWaalsContact CE1-CD 3.48Å; H362-P448 WeakPolarHBondContact CE1-CD 3.37Å; H362-P448 VanDerWaalsContact NE2-CD 3.32Å; H362-P448 WeakPolarHBondContact NE2-CD 3.33Å; H362-P448 WeakPolarHBondContact NE2-CG 3.22Å; H362-P448 PolarHBondContact NE2-O 3.24Å; H362-Y450 AromaticContact CD2-CD2 3.82Å; H362-Y450 AromaticContact CD2-CE2 3.62Å; H362-Y450 AromaticContact NE2-CE2 3.68Å
363G81.4Confident79.9Confident0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-62.3-40.4176.300000113.3S346 R359 G365 E367S346-G363 WeakPolarHBondContact CB-O 3.14Å; S346-G363 PolarHBondContact OG-O 3.4Å; R359-G363 PolarHBondContact O-N 3.33Å; G363-G365 VanDerWaalsContact C-N 3.35Å; G363-E367 PolarHBondContact O-N 3.19Å
364L83.2Confident80.6Confident3 Ų329.7 Ų29.72%0.01615%0.152CC..Hα-helixtrans-65-38.3171.8-83.2173.1000112.3Y16 M343 V360 H362 G368 A417Y16-L364 VanDerWaalsContact CB-O 3.31Å; Y16-L364 WeakPolarHBondContact CB-O 3.2Å; Y16-L364 HydrophobicContact CD1-CD2 4.38Å; M343-L364 HydrophobicContact CE-CD1 4.21Å; M343-L364 HydrophobicContact CE-CD2 3.28Å; M343-L364 HydrophobicContact CE-CG 3.86Å; M343-L364 HydrophobicContact CG-CD2 3.95Å; M343-L364 HydrophobicContact SD-CD2 3.61Å; V360-L364 HydrophobicContact CG1-CD1 3.85Å; V360-L364 HydrophobicContact CG1-CG 4.48Å; V360-L364 VanDerWaalsContact O-CB 3.27Å; V360-L364 WeakPolarHBondContact O-CB 3.31Å; V360-L364 WeakPolarHBondContact O-CG 3.36Å; V360-L364 PolarHBondContact O-N 3.18Å; H362-L364 PolarHBondContact O-N 3.48Å; L364-G368 VanDerWaalsContact O-CA 3.3Å; L364-G368 WeakPolarHBondContact O-CA 3.38Å; L364-G368 PolarHBondContact O-N 3.43Å; L364-A417 HydrophobicContact CD1-CB 4.21Å
365G80.5Confident81.1Confident0 Ų027.5 Ų27.50%014%0.139CC..Hα-helixtrans-62-46.5176.600000112.5A13 A361 H362 G363 E367 G368A13-G365 VanDerWaalsContact CA-O 3.25Å; A13-G365 WeakPolarHBondContact CA-O 3.42Å; A13-G365 WeakPolarHBondContact CB-O 3.3Å; A13-G365 WeakPolarHBondContact O-CA 3.41Å; A361-G365 PolarHBondContact O-N 3.32Å; H362-G365 PolarHBondContact O-N 2.91Å; H362-G365 VanDerWaalsContact O-N 3.1Å; G363-G365 VanDerWaalsContact C-N 3.35Å; G365-E367 PolarHBondContact O-N 3.32Å; G365-G368 PolarHBondContact O-N 3.33Å
366I78.8Confident81.3Confident72 Ų7224.9 Ų24.937%0.36913%0.127SC..Hα-helixtrans-59.1-47.5178.6-64.9160.7000111.3H362H362-I366 WeakPolarHBondContact CE1-CD1 3.07Å; H362-I366 VanDerWaalsContact ND1-CD1 3.29Å; H362-I366 WeakPolarHBondContact ND1-CD1 3.09Å; H362-I366 WeakPolarHBondContact O-CG1 3.49Å; H362-I366 PolarHBondContact O-N 2.71Å
367E81.1Confident81.3Confident32 Ų3227 Ų2715%0.1514%0.14CC..Hα-helixtrans-89.6-5.1-174.1-152.362.8-150.300112.9C342 G363 G365 W369 S370 L371 R523C342-E367 HydrophobicContact CB-CG 3.95Å; G363-E367 PolarHBondContact O-N 3.19Å; G365-E367 PolarHBondContact O-N 3.32Å; E367-W369 VanDerWaalsContact C-N 3.34Å; E367-W369 PolarHBondContact O-N 2.88Å; E367-S370 WeakPolarHBondContact CG-OG 3.34Å; E367-S370 PolarHBondContact O-N 3.3Å; E367-S370 PolarHBondContact O-OG 2.89Å; E367-S370 PolarHBondContact OE1-OG 3.32Å; E367-L371 VanDerWaalsContact O-CB 3.28Å; E367-L371 WeakPolarHBondContact O-CB 3.41Å; E367-L371 PolarHBondContact O-N 3.14Å; E367-R523 IonicContact OE1-CZ 2.71Å; E367-R523 IonicContact OE1-NH2 3.21Å; E367-R523 PolarHBondContact OE1-NH2 3.47Å
368G80.1Confident81.1Confident1 Ų125.6 Ų25.61%0.0113%0.134CC..Hα-helixtrans-61.2-40-175.300000113.2V12 Y16 L364 G365 T372V12-G368 WeakPolarHBondContact CG1-O 3.3Å; Y16-G368 VanDerWaalsContact CE2-O 3.3Å; Y16-G368 WeakPolarHBondContact CE2-O 3.14Å; L364-G368 VanDerWaalsContact O-CA 3.3Å; L364-G368 WeakPolarHBondContact O-CA 3.38Å; L364-G368 PolarHBondContact O-N 3.43Å; G365-G368 PolarHBondContact O-N 3.33Å; G368-T372 WeakPolarHBondContact O-CB 3.25Å; G368-T372 PolarHBondContact O-N 2.82Å; G368-T372 PolarHBondContact O-OG1 2.93Å
369W81.3Confident81.2Confident70 Ų7029 Ų2927%0.26515%0.148SC..Hα-helixtrans-69.4-43.6177.6175.6-117.5000113L8 A9 V12 E367 L371 K373L8-W369 HydrophobicContact CB-CH2 4.15Å; L8-W369 HydrophobicContact CB-CZ3 4.11Å; L8-W369 HydrophobicContact CD2-CH2 3.47Å; L8-W369 VanDerWaalsContact CD2-CH2 3.47Å; L8-W369 HydrophobicContact CD2-CZ3 3.6Å; L8-W369 HydrophobicContact CG-CE3 4.48Å; L8-W369 HydrophobicContact CG-CH2 3.81Å; L8-W369 HydrophobicContact CG-CZ3 3.52Å; A9-W369 VanDerWaalsContact CA-CD2 3.4Å; A9-W369 HydrophobicContact CB-CB 3.81Å; A9-W369 VanDerWaalsContact CB-CD1 3.4Å; A9-W369 HydrophobicContact CB-CD2 3.48Å; A9-W369 VanDerWaalsContact CB-CD2 3.48Å; A9-W369 HydrophobicContact CB-CE3 4.17Å; A9-W369 HydrophobicContact CB-CG 3.27Å; V12-W369 HydrophobicContact CB-CE3 4.01Å; V12-W369 HydrophobicContact CG1-CE3 4.32Å; V12-W369 HydrophobicContact CG2-CE3 3.94Å; V12-W369 HydrophobicContact CG2-CZ3 4.15Å; E367-W369 VanDerWaalsContact C-N 3.34Å; E367-W369 PolarHBondContact O-N 2.88Å; W369-L371 VanDerWaalsContact C-N 3.33Å; W369-K373 WeakPolarHBondContact O-CB 3.32Å; W369-K373 PolarHBondContact O-N 2.94Å
370S79.4Confident81.3Confident18 Ų1834.1 Ų34.113%0.12617%0.174CC..Hα-helixtrans-65-40.6177.243.80000111.1E367 K373 N374E367-S370 WeakPolarHBondContact CG-OG 3.34Å; E367-S370 PolarHBondContact O-N 3.3Å; E367-S370 PolarHBondContact O-OG 2.89Å; E367-S370 PolarHBondContact OE1-OG 3.32Å; S370-K373 PolarHBondContact O-N 3.26Å; S370-N374 WeakPolarHBondContact O-CB 3.2Å; S370-N374 VanDerWaalsContact O-CG 3.26Å; S370-N374 PolarHBondContact O-N 3.47Å; S370-N374 PolarHBondContact O-OD1 2.96Å
371L82Confident81.2Confident11 Ų1138.9 Ų38.96%0.05820%0.203CC..Hα-helixtrans-62.2-51176.9-176.161.7000111.9Y16 N339 E367 W369 K373 N374 F375 F409Y16-L371 HydrophobicContact CE1-CD2 3.82Å; N339-L371 HydrophobicContact CB-CD1 3.61Å; N339-L371 WeakPolarHBondContact ND2-CD1 3.47Å; E367-L371 VanDerWaalsContact O-CB 3.28Å; E367-L371 WeakPolarHBondContact O-CB 3.41Å; E367-L371 PolarHBondContact O-N 3.14Å; W369-L371 VanDerWaalsContact C-N 3.33Å; L371-K373 VanDerWaalsContact C-N 3.32Å; L371-K373 PolarHBondContact O-N 2.83Å; L371-N374 PolarHBondContact O-N 3.46Å; L371-F375 WeakPolarHBondContact O-CB 3.31Å; L371-F375 PolarHBondContact O-N 3.31Å; L371-F409 HydrophobicContact CD2-CE2 4.24Å; L371-F409 HydrophobicContact CG-CD2 4.41Å; L371-F409 HydrophobicContact CG-CE2 4.02Å
372T82.1Confident81.2Confident7 Ų739.9 Ų39.94%0.04321%0.208CC..Hα-helixtrans-62.9-39.1177-650000111.9V12 Y16 G368 F375 C376V12-T372 HydrophobicContact CG1-CG2 4.49Å; Y16-T372 WeakPolarHBondContact CE2-OG1 3.11Å; Y16-T372 PolarHBondContact OH-OG1 3.4Å; G368-T372 WeakPolarHBondContact O-CB 3.25Å; G368-T372 PolarHBondContact O-N 2.82Å; G368-T372 PolarHBondContact O-OG1 2.93Å; T372-F375 WeakPolarHBondContact O-CB 3.45Å; T372-F375 PolarHBondContact O-N 3.4Å; T372-C376 WeakPolarHBondContact O-CB 3.11Å; T372-C376 PolarHBondContact O-N 3.28Å; T372-C376 PolarHBondContact O-SG 3.39Å
373K78.8Confident81.1Confident111 Ų11141 Ų4148%0.48322%0.218SC..Hα-helixtrans-62.4-48.7176.7-177.5-175.9174.9-171.30111.1W369 S370 L371 F375 C376 T377W369-K373 WeakPolarHBondContact O-CB 3.32Å; W369-K373 PolarHBondContact O-N 2.94Å; S370-K373 PolarHBondContact O-N 3.26Å; L371-K373 VanDerWaalsContact C-N 3.32Å; L371-K373 PolarHBondContact O-N 2.83Å; K373-F375 VanDerWaalsContact C-N 3.25Å; K373-F375 PolarHBondContact O-N 2.84Å; K373-C376 PolarHBondContact O-N 2.77Å; K373-T377 HydrophobicContact CG-CG2 4.43Å; K373-T377 WeakPolarHBondContact O-CG2 3.22Å; K373-T377 PolarHBondContact O-N 2.96Å; K373-T377 PolarHBondContact O-OG1 3.26Å
374N79.4Confident81Confident60 Ų6046.8 Ų46.832%0.32124%0.243SC..Hα-helixtrans-57.3-43.6176.8-76.3-2.7000110.5S370 L371 T377 G378S370-N374 WeakPolarHBondContact O-CB 3.2Å; S370-N374 VanDerWaalsContact O-CG 3.26Å; S370-N374 PolarHBondContact O-N 3.47Å; S370-N374 PolarHBondContact O-OD1 2.96Å; L371-N374 PolarHBondContact O-N 3.46Å; N374-T377 WeakPolarHBondContact CA-OG1 3Å; N374-T377 PolarHBondContact O-OG1 2.82Å; N374-G378 PolarHBondContact O-N 2.99Å
375F83.4Confident80.7Confident17 Ų1747.3 Ų47.38%0.07525%0.249CC..Hα-helixtrans-58.6-56.4174.7-177.6-98.5000112.2L371 T372 K373 T377 G378 F379 F405 V406 F409 F677L371-F375 WeakPolarHBondContact O-CB 3.31Å; L371-F375 PolarHBondContact O-N 3.31Å; T372-F375 WeakPolarHBondContact O-CB 3.45Å; T372-F375 PolarHBondContact O-N 3.4Å; K373-F375 VanDerWaalsContact C-N 3.25Å; K373-F375 PolarHBondContact O-N 2.84Å; F375-T377 VanDerWaalsContact C-N 3.32Å; F375-T377 PolarHBondContact O-N 3.18Å; F375-G378 PolarHBondContact O-N 3.26Å; F375-F379 HydrophobicContact CZ-CD2 4.36Å; F375-F379 WeakPolarHBondContact O-CB 3.27Å; F375-F379 PolarHBondContact O-N 3.26Å; F375-F405 HydrophobicContact CB-CE1 4.17Å; F375-F405 HydrophobicContact CB-CZ 4.49Å; F375-F405 AromaticContact CD2-CD1 3.56Å; F375-F405 HydrophobicContact CD2-CD1 3.56Å; F375-F405 AromaticContact CD2-CE1 3.17Å; F375-F405 HydrophobicContact CD2-CE1 3.17Å; F375-F405 HydrophobicContact CD2-CZ 4.07Å; F375-F405 AromaticContact CE2-CD1 3.52Å; F375-F405 HydrophobicContact CE2-CD1 3.52Å; F375-F405 AromaticContact CE2-CE1 3.62Å; F375-F405 HydrophobicContact CE2-CE1 3.62Å; F375-F405 AromaticContact CG-CE1 3.82Å; F375-F405 HydrophobicContact CG-CE1 3.82Å; F375-F405 HydrophobicContact CZ-CD1 4.49Å; F375-F405 WeakPolarHBondContact O-CE1 3.47Å; F375-V406 HydrophobicContact CE2-CG2 4.32Å; F375-V406 HydrophobicContact CZ-CG2 4.06Å; F375-F409 HydrophobicContact CB-CD2 4.1Å; F375-F409 HydrophobicContact CB-CE2 4.22Å; F375-F409 HydrophobicContact CD2-CB 3.59Å; F375-F409 HydrophobicContact CD2-CD1 4.21Å; F375-F409 AromaticContact CD2-CD2 3.77Å; F375-F409 HydrophobicContact CD2-CD2 3.77Å; F375-F409 AromaticContact CD2-CG 3.59Å; F375-F409 HydrophobicContact CD2-CG 3.59Å; F375-F409 HydrophobicContact CE2-CB 3.62Å; F375-F409 HydrophobicContact CE2-CD1 4.14Å; F375-F409 HydrophobicContact CE2-CD2 4.46Å; F375-F409 AromaticContact CE2-CG 3.83Å; F375-F409 HydrophobicContact CE2-CG 3.83Å; F375-F409 AromaticContact CG-CD2 3.99Å; F375-F409 HydrophobicContact CG-CD2 3.99Å; F375-F409 HydrophobicContact CG-CE2 4.29Å; F375-F409 HydrophobicContact CG-CG 4.14Å; F375-F409 HydrophobicContact CZ-CD1 4.41Å; F375-F677 HydrophobicContact CE1-CE2 4.24Å
376C82.2Confident80.5Confident26 Ų2649.7 Ų49.718%0.17626%0.261CS..Hα-helixtrans-60.4-40.5-179.6-67.80000112.6T372 K373 F379 I380T372-C376 WeakPolarHBondContact O-CB 3.11Å; T372-C376 PolarHBondContact O-N 3.28Å; T372-C376 PolarHBondContact O-SG 3.39Å; K373-C376 PolarHBondContact O-N 2.77Å; C376-F379 PolarHBondContact O-N 2.78Å; C376-I380 WeakPolarHBondContact O-CB 3.21Å; C376-I380 WeakPolarHBondContact O-CD1 3.48Å; C376-I380 WeakPolarHBondContact O-CG1 3.17Å; C376-I380 PolarHBondContact O-N 3.32Å
377T79.7Confident80.5Confident70 Ų7053 Ų5343%0.42928%0.279SS..Hα-helixtrans-64.5-43.7176.350.70000111.9K373 N374 F375 I380 V381K373-T377 HydrophobicContact CG-CG2 4.43Å; K373-T377 WeakPolarHBondContact O-CG2 3.22Å; K373-T377 PolarHBondContact O-N 2.96Å; K373-T377 PolarHBondContact O-OG1 3.26Å; N374-T377 WeakPolarHBondContact CA-OG1 3Å; N374-T377 PolarHBondContact O-OG1 2.82Å; F375-T377 VanDerWaalsContact C-N 3.32Å; F375-T377 PolarHBondContact O-N 3.18Å; T377-I380 PolarHBondContact O-N 2.78Å; T377-V381 WeakPolarHBondContact O-CB 3.45Å; T377-V381 VanDerWaalsContact O-CG2 3.26Å; T377-V381 WeakPolarHBondContact O-CG2 3.4Å; T377-V381 PolarHBondContact O-N 3.19Å
378G79.1Confident80.3Confident17 Ų1757.6 Ų57.618%0.17530%0.299CS..Hα-helixtrans-63.5-43.6176.600000111.9N374 F375 I380 V381 L382N374-G378 PolarHBondContact O-N 2.99Å; F375-G378 PolarHBondContact O-N 3.26Å; G378-I380 PolarHBondContact O-N 2.87Å; G378-V381 PolarHBondContact O-N 2.76Å; G378-L382 WeakPolarHBondContact O-CB 3.42Å; G378-L382 VanDerWaalsContact O-CG 3.31Å; G378-L382 WeakPolarHBondContact O-CG 3.47Å; G378-L382 PolarHBondContact O-N 3.48Å
379F83.2Confident80Confident80 Ų8058.9 Ų58.935%0.35131%0.308SS..Hα-helixtrans-60.6-45.3177-169.8-83000112.1F375 C376 S383 L402 V406F375-F379 HydrophobicContact CZ-CD2 4.36Å; F375-F379 WeakPolarHBondContact O-CB 3.27Å; F375-F379 PolarHBondContact O-N 3.26Å; C376-F379 PolarHBondContact O-N 2.78Å; F379-S383 WeakPolarHBondContact CE1-OG 3.44Å; F379-S383 WeakPolarHBondContact O-CB 3.16Å; F379-S383 PolarHBondContact O-N 3.47Å; F379-S383 PolarHBondContact O-OG 2.86Å; F379-L402 HydrophobicContact CD2-CD1 3.38Å; F379-L402 HydrophobicContact CD2-CG 4.28Å; F379-L402 HydrophobicContact CE2-CD1 3.52Å; F379-L402 HydrophobicContact CE2-CD2 4.17Å; F379-L402 HydrophobicContact CE2-CG 3.99Å; F379-L402 HydrophobicContact CG-CD1 3.93Å; F379-L402 HydrophobicContact CZ-CD1 4.16Å; F379-L402 HydrophobicContact CZ-CD2 4.32Å; F379-V406 HydrophobicContact CD2-CG2 4.35Å; F379-V406 HydrophobicContact CE2-CG2 4.27Å
380I81.8Confident79.3Confident112 Ų11263.4 Ų63.457%0.57434%0.337SS*.Hα-helixtrans-65.3-45.4178.7-69.8165.3000110.8C376 T377 G378 S383 F384C376-I380 WeakPolarHBondContact O-CB 3.21Å; C376-I380 WeakPolarHBondContact O-CD1 3.48Å; C376-I380 WeakPolarHBondContact O-CG1 3.17Å; C376-I380 PolarHBondContact O-N 3.32Å; T377-I380 PolarHBondContact O-N 2.78Å; G378-I380 PolarHBondContact O-N 2.87Å; I380-S383 PolarHBondContact O-N 3.13Å; I380-F384 VanDerWaalsContact O-CB 3.32Å; I380-F384 WeakPolarHBondContact O-CB 3.33Å; I380-F384 PolarHBondContact O-N 3.44Å
381V82.5Confident78.9Confident100 Ų10065.8 Ų65.861%0.60635%0.351SS*.Hα-helixtrans-62.5-45.3179.7170.20000111.1T377 G378 F384 G385T377-V381 WeakPolarHBondContact O-CB 3.45Å; T377-V381 VanDerWaalsContact O-CG2 3.26Å; T377-V381 WeakPolarHBondContact O-CG2 3.4Å; T377-V381 PolarHBondContact O-N 3.19Å; G378-V381 PolarHBondContact O-N 2.76Å; V381-F384 PolarHBondContact O-N 3.4Å; V381-G385 PolarHBondContact O-N 2.8Å
382L82.8Confident78Confident21 Ų2168 Ų6811%0.1137%0.365CS..Hα-helixtrans-67.3-39.5177.1-68.9173.2000112.1G378 F384 G385 L386 A401 L402 F405G378-L382 WeakPolarHBondContact O-CB 3.42Å; G378-L382 VanDerWaalsContact O-CG 3.31Å; G378-L382 WeakPolarHBondContact O-CG 3.47Å; G378-L382 PolarHBondContact O-N 3.48Å; L382-F384 VanDerWaalsContact C-N 3.35Å; L382-G385 WeakPolarHBondContact O-CA 3.19Å; L382-G385 PolarHBondContact O-N 3.34Å; L382-L386 WeakPolarHBondContact O-CG 3.24Å; L382-L386 PolarHBondContact O-N 2.67Å; L382-A401 HydrophobicContact CD1-CB 3.98Å; L382-A401 HydrophobicContact CD2-CB 3.8Å; L382-L402 HydrophobicContact CB-CD1 4.03Å; L382-L402 HydrophobicContact CD1-CD1 4.42Å; L382-F405 HydrophobicContact CD1-CB 4.35Å
383S80.6Confident77.2Confident34 Ų3470.8 Ų70.824%0.23838%0.378CS..Hα-helixtrans-66.2-37176-60.30000112.2F379 I380 G385 L386 L387F379-S383 WeakPolarHBondContact CE1-OG 3.44Å; F379-S383 WeakPolarHBondContact O-CB 3.16Å; F379-S383 PolarHBondContact O-N 3.47Å; F379-S383 PolarHBondContact O-OG 2.86Å; I380-S383 PolarHBondContact O-N 3.13Å; S383-G385 VanDerWaalsContact C-N 3.35Å; S383-L386 WeakPolarHBondContact O-CB 3.41Å; S383-L386 PolarHBondContact O-N 3.44Å; S383-L387 PolarHBondContact O-N 2.79Å; S383-L387 VanDerWaalsContact O-N 3.08Å
384F79.7Confident76.8Confident121 Ų12169 Ų6953%0.53137%0.373SS..Hα-helixtrans-64.2-42.8171.7-170.5-86.3000110.6I380 V381 L382 L386 L387 F388I380-F384 VanDerWaalsContact O-CB 3.32Å; I380-F384 WeakPolarHBondContact O-CB 3.33Å; I380-F384 PolarHBondContact O-N 3.44Å; V381-F384 PolarHBondContact O-N 3.4Å; L382-F384 VanDerWaalsContact C-N 3.35Å; F384-L386 PolarHBondContact O-N 3.32Å; F384-L387 PolarHBondContact O-N 2.75Å; F384-L387 VanDerWaalsContact O-N 3.12Å; F384-F388 HydrophobicContact CB-CD2 4.47Å; F384-F388 HydrophobicContact CD1-CB 4.38Å; F384-F388 AromaticContact CD1-CD2 3.73Å; F384-F388 HydrophobicContact CD1-CD2 3.73Å; F384-F388 HydrophobicContact CD1-CE2 4.41Å; F384-F388 HydrophobicContact CD1-CG 4.27Å; F384-F388 AromaticContact CD2-CD2 3.34Å; F384-F388 HydrophobicContact CD2-CD2 3.34Å; F384-F388 AromaticContact CD2-CE2 3.19Å; F384-F388 HydrophobicContact CD2-CE2 3.19Å; F384-F388 HydrophobicContact CD2-CG 4.41Å; F384-F388 HydrophobicContact CD2-CZ 4.14Å; F384-F388 HydrophobicContact CE1-CB 4.05Å; F384-F388 AromaticContact CE1-CD2 3.63Å; F384-F388 HydrophobicContact CE1-CD2 3.63Å; F384-F388 HydrophobicContact CE1-CE2 4.25Å; F384-F388 AromaticContact CE1-CG 3.82Å; F384-F388 HydrophobicContact CE1-CG 3.82Å; F384-F388 HydrophobicContact CE2-CD1 4.43Å; F384-F388 AromaticContact CE2-CD2 3.25Å; F384-F388 HydrophobicContact CE2-CD2 3.25Å; F384-F388 HydrophobicContact CE2-CE1 4.2Å; F384-F388 AromaticContact CE2-CE2 2.98Å; F384-F388 HydrophobicContact CE2-CE2 2.98Å; F384-F388 HydrophobicContact CE2-CG 4Å; F384-F388 AromaticContact CE2-CZ 3.51Å; F384-F388 HydrophobicContact CE2-CZ 3.51Å; F384-F388 AromaticContact CG-CD2 3.58Å; F384-F388 HydrophobicContact CG-CD2 3.58Å; F384-F388 AromaticContact CG-CE2 3.93Å; F384-F388 HydrophobicContact CG-CE2 3.93Å; F384-F388 HydrophobicContact CZ-CB 4.37Å; F384-F388 HydrophobicContact CZ-CD1 4.07Å; F384-F388 AromaticContact CZ-CD2 3.39Å; F384-F388 HydrophobicContact CZ-CD2 3.39Å; F384-F388 HydrophobicContact CZ-CE1 4.2Å; F384-F388 AromaticContact CZ-CE2 3.57Å; F384-F388 HydrophobicContact CZ-CE2 3.57Å; F384-F388 AromaticContact CZ-CG 3.67Å; F384-F388 HydrophobicContact CZ-CG 3.67Å; F384-F388 AromaticContact CZ-CZ 3.96Å; F384-F388 HydrophobicContact CZ-CZ 3.96Å; F384-F388 WeakPolarHBondContact O-CD2 3.32Å; F384-F388 PolarHBondContact O-N 2.77Å
385G75.5Confident76.6Confident13 Ų1367.9 Ų67.913%0.13437%0.369CS..Hα-helixtrans-55.3-36.9172.200000113.3V381 L382 S383 S389V381-G385 PolarHBondContact O-N 2.8Å; L382-G385 WeakPolarHBondContact O-CA 3.19Å; L382-G385 PolarHBondContact O-N 3.34Å; S383-G385 VanDerWaalsContact C-N 3.35Å; G385-S389 WeakPolarHBondContact O-CB 3.15Å; G385-S389 PolarHBondContact O-N 3.24Å; G385-S389 PolarHBondContact O-OG 3.5Å
386L77Confident76.1Confident51 Ų5168.9 Ų68.927%0.26737%0.373SS..Hα-helixtrans-70.3-39.1175-70.9173000114L382 S383 F384 T395 C398 T399 L402L382-L386 WeakPolarHBondContact O-CG 3.24Å; L382-L386 PolarHBondContact O-N 2.67Å; S383-L386 WeakPolarHBondContact O-CB 3.41Å; S383-L386 PolarHBondContact O-N 3.44Å; F384-L386 PolarHBondContact O-N 3.32Å; L386-T395 WeakPolarHBondContact CD2-O 3.4Å; L386-C398 HydrophobicContact CD2-CB 3.57Å; L386-C398 HydrophobicContact CG-CB 3.64Å; L386-T399 HydrophobicContact CD1-CG2 4.27Å; L386-T399 HydrophobicContact CD2-CG2 3.29Å; L386-T399 HydrophobicContact CG-CG2 4.42Å; L386-L402 HydrophobicContact CD1-CD2 4Å
387L78.6Confident75.8Confident141 Ų14170.2 Ų70.274%0.73838%0.376SS*.Hα-helixtrans-84.4-29.7-169.7-145.4119.3000112.8S383 F384S383-L387 PolarHBondContact O-N 2.79Å; S383-L387 VanDerWaalsContact O-N 3.08Å; F384-L387 PolarHBondContact O-N 2.75Å; F384-L387 VanDerWaalsContact O-N 3.12Å
388F77.9Confident75.7Confident128 Ų12867.3 Ų67.356%0.56136%0.359SS*.Hα-helixtrans-105.9-16.7-173.5-70.4-87.5000114.3F384 N390F384-F388 HydrophobicContact CB-CD2 4.47Å; F384-F388 HydrophobicContact CD1-CB 4.38Å; F384-F388 AromaticContact CD1-CD2 3.73Å; F384-F388 HydrophobicContact CD1-CD2 3.73Å; F384-F388 HydrophobicContact CD1-CE2 4.41Å; F384-F388 HydrophobicContact CD1-CG 4.27Å; F384-F388 AromaticContact CD2-CD2 3.34Å; F384-F388 HydrophobicContact CD2-CD2 3.34Å; F384-F388 AromaticContact CD2-CE2 3.19Å; F384-F388 HydrophobicContact CD2-CE2 3.19Å; F384-F388 HydrophobicContact CD2-CG 4.41Å; F384-F388 HydrophobicContact CD2-CZ 4.14Å; F384-F388 HydrophobicContact CE1-CB 4.05Å; F384-F388 AromaticContact CE1-CD2 3.63Å; F384-F388 HydrophobicContact CE1-CD2 3.63Å; F384-F388 HydrophobicContact CE1-CE2 4.25Å; F384-F388 AromaticContact CE1-CG 3.82Å; F384-F388 HydrophobicContact CE1-CG 3.82Å; F384-F388 HydrophobicContact CE2-CD1 4.43Å; F384-F388 AromaticContact CE2-CD2 3.25Å; F384-F388 HydrophobicContact CE2-CD2 3.25Å; F384-F388 HydrophobicContact CE2-CE1 4.2Å; F384-F388 AromaticContact CE2-CE2 2.98Å; F384-F388 HydrophobicContact CE2-CE2 2.98Å; F384-F388 HydrophobicContact CE2-CG 4Å; F384-F388 AromaticContact CE2-CZ 3.51Å; F384-F388 HydrophobicContact CE2-CZ 3.51Å; F384-F388 AromaticContact CG-CD2 3.58Å; F384-F388 HydrophobicContact CG-CD2 3.58Å; F384-F388 AromaticContact CG-CE2 3.93Å; F384-F388 HydrophobicContact CG-CE2 3.93Å; F384-F388 HydrophobicContact CZ-CB 4.37Å; F384-F388 HydrophobicContact CZ-CD1 4.07Å; F384-F388 AromaticContact CZ-CD2 3.39Å; F384-F388 HydrophobicContact CZ-CD2 3.39Å; F384-F388 HydrophobicContact CZ-CE1 4.2Å; F384-F388 AromaticContact CZ-CE2 3.57Å; F384-F388 HydrophobicContact CZ-CE2 3.57Å; F384-F388 AromaticContact CZ-CG 3.67Å; F384-F388 HydrophobicContact CZ-CG 3.67Å; F384-F388 AromaticContact CZ-CZ 3.96Å; F384-F388 HydrophobicContact CZ-CZ 3.96Å; F384-F388 WeakPolarHBondContact O-CD2 3.32Å; F384-F388 PolarHBondContact O-N 2.77Å; F388-N390 PolarHBondContact O-N 3.19Å
389S73.9Confident75.7Confident29 Ų2968.6 Ų68.620%0.20336%0.363CS..  trans-85116.5179.3-50.40000110.3G385 I394 T395G385-S389 WeakPolarHBondContact O-CB 3.15Å; G385-S389 PolarHBondContact O-N 3.24Å; G385-S389 PolarHBondContact O-OG 3.5Å; S389-I394 WeakPolarHBondContact OG-CG2 3.39Å; S389-T395 WeakPolarHBondContact O-CG2 3.28Å
390N66.5Low75.4Confident165 Ų16565.3 Ų65.388%0.88235%0.349SS*.  trans-81.5-5.5167.7-80.9-8.7000112.8F388 P392F388-N390 PolarHBondContact O-N 3.19Å; N390-P392 WeakPolarHBondContact O-CD 3.46Å
391V70.1Confident75.2Confident68 Ų6860 Ų6041%0.41232%0.322SS..  trans-81.8113.3179.2-178.60000108.7E393 I394 T395V391-E393 HydrophobicContact CG1-CB 4.16Å; V391-E393 WeakPolarHBondContact CG1-OE2 3.39Å; V391-E393 PolarHBondContact O-N 2.72Å; V391-I394 HydrophobicContact CB-CB 4.37Å; V391-I394 HydrophobicContact CB-CD1 3.96Å; V391-I394 HydrophobicContact CB-CG1 4.04Å; V391-I394 HydrophobicContact CG1-CD1 4.24Å; V391-I394 HydrophobicContact CG1-CG1 4.02Å; V391-I394 HydrophobicContact CG2-CD1 4.29Å; V391-I394 PolarHBondContact O-N 3.43Å; V391-T395 PolarHBondContact O-N 3.17Å; V391-T395 VanDerWaalsContact O-N 3.16Å
392P62.5Low75.2Confident56 Ų5656.6 Ų56.636%0.36430%0.3SS..Hα-helixtrans-58.2-34.5-174.620.2-29.3000112.1N390 I394 T395 E396N390-P392 WeakPolarHBondContact O-CD 3.46Å; P392-I394 PolarHBondContact O-N 3.43Å; P392-T395 WeakPolarHBondContact CA-OG1 3.29Å; P392-T395 PolarHBondContact O-N 3.19Å; P392-T395 PolarHBondContact O-OG1 2.74Å; P392-E396 WeakPolarHBondContact O-CB 3.45Å; P392-E396 VanDerWaalsContact O-CG 3.3Å; P392-E396 WeakPolarHBondContact O-CG 3.39Å; P392-E396 PolarHBondContact O-N 2.84Å
393E65.4Low75.3Confident67 Ų6757.1 Ų57.131%0.31330%0.304SS..Hα-helixtrans-59.9-42.1177-65.365.9-141.200112.5R320 V391 F397R320-E393 IonicContact NH1-OE1 2.74Å; R320-E393 IonicContact NH2-OE1 2.97Å; R320-E393 PolarHBondContact NH2-OE1 3.41Å; V391-E393 HydrophobicContact CG1-CB 4.16Å; V391-E393 WeakPolarHBondContact CG1-OE2 3.39Å; V391-E393 PolarHBondContact O-N 2.72Å; E393-F397 PolarHBondContact O-N 3.31Å; E393-F397 VanDerWaalsContact O-N 3.08Å
394I71.3Confident75.3Confident73 Ų7355.5 Ų55.537%0.37429%0.293SS..Hα-helixtrans-72.5-41.6-179.8-59.5177.4000109.9S389 V391 P392 E396 F397 C398S389-I394 WeakPolarHBondContact OG-CG2 3.39Å; V391-I394 HydrophobicContact CB-CB 4.37Å; V391-I394 HydrophobicContact CB-CD1 3.96Å; V391-I394 HydrophobicContact CB-CG1 4.04Å; V391-I394 HydrophobicContact CG1-CD1 4.24Å; V391-I394 HydrophobicContact CG1-CG1 4.02Å; V391-I394 HydrophobicContact CG2-CD1 4.29Å; V391-I394 PolarHBondContact O-N 3.43Å; P392-I394 PolarHBondContact O-N 3.43Å; I394-E396 VanDerWaalsContact C-N 3.33Å; I394-E396 PolarHBondContact O-N 3.38Å; I394-F397 PolarHBondContact O-N 3.48Å; I394-C398 PolarHBondContact O-N 2.86Å; I394-C398 PolarHBondContact O-SG 2.76Å; I394-C398 VanDerWaalsContact O-SG 3.33Å
395T73.9Confident75.4Confident37 Ų3751 Ų5123%0.22727%0.273CS..Hα-helixtrans-62.7-41178.264.40000111.8L386 S389 V391 P392 C398 T399L386-T395 WeakPolarHBondContact CD2-O 3.4Å; S389-T395 WeakPolarHBondContact O-CG2 3.28Å; V391-T395 PolarHBondContact O-N 3.17Å; V391-T395 VanDerWaalsContact O-N 3.16Å; P392-T395 WeakPolarHBondContact CA-OG1 3.29Å; P392-T395 PolarHBondContact O-N 3.19Å; P392-T395 PolarHBondContact O-OG1 2.74Å; T395-C398 PolarHBondContact O-N 3.39Å; T395-T399 WeakPolarHBondContact O-CG2 3.36Å; T395-T399 PolarHBondContact O-N 2.93Å; T395-T399 PolarHBondContact O-OG1 3.09Å
396E73.7Confident75.9Confident37 Ų3751.8 Ų51.817%0.17328%0.275CS..Hα-helixtrans-62.3-46174.3-74.6173.6-165.800111.6R320 P392 I394 C398 T399 I400R320-E396 WeakPolarHBondContact CB-OE2 3.34Å; R320-E396 IonicContact CZ-OE1 3.05Å; R320-E396 IonicContact CZ-OE2 3.84Å; R320-E396 IonicContact NE-OE1 2.72Å; R320-E396 PolarHBondContact NE-OE1 2.95Å; R320-E396 IonicContact NE-OE2 2.76Å; R320-E396 PolarHBondContact NE-OE2 2.93Å; R320-E396 VanDerWaalsContact NH2-CD 3.32Å; R320-E396 IonicContact NH2-OE1 3.4Å; R320-E396 PolarHBondContact NH2-OE1 2.71Å; R320-E396 IonicContact NH2-OE2 3.48Å; R320-E396 PolarHBondContact NH2-OE2 3.16Å; P392-E396 WeakPolarHBondContact O-CB 3.45Å; P392-E396 VanDerWaalsContact O-CG 3.3Å; P392-E396 WeakPolarHBondContact O-CG 3.39Å; P392-E396 PolarHBondContact O-N 2.84Å; I394-E396 VanDerWaalsContact C-N 3.33Å; I394-E396 PolarHBondContact O-N 3.38Å; E396-C398 VanDerWaalsContact C-N 3.35Å; E396-C398 PolarHBondContact O-N 2.95Å; E396-T399 PolarHBondContact O-N 3.1Å; E396-T399 PolarHBondContact O-OG1 3.11Å; E396-I400 WeakPolarHBondContact O-CG1 3.31Å; E396-I400 PolarHBondContact O-N 3.34Å; E396-I400 VanDerWaalsContact O-N 3.12Å
397F75.6Confident76.3Confident55 Ų5549.4 Ų49.424%0.24126%0.263CS..Hα-helixtrans-57.8-48174.9170-105.2000111.6L327 L331 E393 I394 T399 I400 A401L327-F397 HydrophobicContact CD2-CD2 3.8Å; L327-F397 HydrophobicContact CD2-CE2 3.45Å; L327-F397 VanDerWaalsContact CD2-CE2 3.45Å; L327-F397 HydrophobicContact CD2-CZ 4.17Å; L327-F397 HydrophobicContact CG-CE2 4.35Å; L331-F397 HydrophobicContact CD2-CE2 4.41Å; L331-F397 HydrophobicContact CD2-CZ 4.02Å; E393-F397 PolarHBondContact O-N 3.31Å; E393-F397 VanDerWaalsContact O-N 3.08Å; I394-F397 PolarHBondContact O-N 3.48Å; F397-T399 PolarHBondContact O-N 2.92Å; F397-I400 PolarHBondContact O-N 2.83Å; F397-A401 HydrophobicContact CE2-CB 4.47Å; F397-A401 HydrophobicContact CZ-CB 4.4Å; F397-A401 WeakPolarHBondContact O-CB 3.19Å; F397-A401 PolarHBondContact O-N 3.31Å
398C78.2Confident76.7Confident8 Ų842.8 Ų42.85%0.05423%0.228CC..Hα-helixtrans-66.6-34.9-178.9-67.40000112.6L386 I394 T395 E396 L402L386-C398 HydrophobicContact CD2-CB 3.57Å; L386-C398 HydrophobicContact CG-CB 3.64Å; I394-C398 PolarHBondContact O-N 2.86Å; I394-C398 PolarHBondContact O-SG 2.76Å; I394-C398 VanDerWaalsContact O-SG 3.33Å; T395-C398 PolarHBondContact O-N 3.39Å; E396-C398 VanDerWaalsContact C-N 3.35Å; E396-C398 PolarHBondContact O-N 2.95Å; C398-L402 WeakPolarHBondContact O-CB 3.12Å; C398-L402 PolarHBondContact O-N 2.81Å
399T78.2Confident77.1Confident44 Ų4437.8 Ų37.827%0.2721%0.206SC..Hα-helixtrans-66.8-46.9178.751.60000110.5L386 T395 E396 F397 L402 V403L386-T399 HydrophobicContact CD1-CG2 4.27Å; L386-T399 HydrophobicContact CD2-CG2 3.29Å; L386-T399 HydrophobicContact CG-CG2 4.42Å; T395-T399 WeakPolarHBondContact O-CG2 3.36Å; T395-T399 PolarHBondContact O-N 2.93Å; T395-T399 PolarHBondContact O-OG1 3.09Å; E396-T399 PolarHBondContact O-N 3.1Å; E396-T399 PolarHBondContact O-OG1 3.11Å; F397-T399 PolarHBondContact O-N 2.92Å; T399-L402 PolarHBondContact O-N 3.46Å; T399-V403 WeakPolarHBondContact O-CG2 3.26Å; T399-V403 PolarHBondContact O-N 3.14Å; T399-V403 VanDerWaalsContact O-N 3.11Å
400I77.2Confident77.8Confident11 Ų1137 Ų376%0.05620%0.199CC..Hα-helixtrans-65.5-46.5178.6-68168.7000110.5L324 F328 E396 F397 L402 V403 G404L324-I400 HydrophobicContact CB-CG2 4.46Å; L324-I400 HydrophobicContact CD1-CG2 3.34Å; L324-I400 HydrophobicContact CG-CG2 4.49Å; F328-I400 HydrophobicContact CB-CG2 4.42Å; F328-I400 HydrophobicContact CD1-CG2 4.42Å; F328-I400 HydrophobicContact CD2-CG2 4.28Å; F328-I400 HydrophobicContact CG-CG2 4.09Å; E396-I400 WeakPolarHBondContact O-CG1 3.31Å; E396-I400 PolarHBondContact O-N 3.34Å; E396-I400 VanDerWaalsContact O-N 3.12Å; F397-I400 PolarHBondContact O-N 2.83Å; I400-L402 VanDerWaalsContact C-N 3.26Å; I400-L402 PolarHBondContact O-N 2.96Å; I400-V403 PolarHBondContact O-N 2.97Å; I400-G404 PolarHBondContact O-N 3.45Å
401A78.5Confident78.9Confident0 Ų029.1 Ų29.10%016%0.157CC..Hα-helixtrans-59.9-38.3177.400000111.4L331 L382 F397 G404 F405L331-A401 HydrophobicContact CD2-CB 3.82Å; L382-A401 HydrophobicContact CD1-CB 3.98Å; L382-A401 HydrophobicContact CD2-CB 3.8Å; F397-A401 HydrophobicContact CE2-CB 4.47Å; F397-A401 HydrophobicContact CZ-CB 4.4Å; F397-A401 WeakPolarHBondContact O-CB 3.19Å; F397-A401 PolarHBondContact O-N 3.31Å; A401-G404 PolarHBondContact O-N 2.95Å; A401-F405 WeakPolarHBondContact O-CB 3.22Å; A401-F405 PolarHBondContact O-N 3Å
402L83Confident79.7Confident30 Ų3026 Ų2616%0.15714%0.138CC..Hα-helixtrans-65-50.2177.7-167.971000111.9F379 L382 L386 C398 T399 I400 G404 F405 V406F379-L402 HydrophobicContact CD2-CD1 3.38Å; F379-L402 HydrophobicContact CD2-CG 4.28Å; F379-L402 HydrophobicContact CE2-CD1 3.52Å; F379-L402 HydrophobicContact CE2-CD2 4.17Å; F379-L402 HydrophobicContact CE2-CG 3.99Å; F379-L402 HydrophobicContact CG-CD1 3.93Å; F379-L402 HydrophobicContact CZ-CD1 4.16Å; F379-L402 HydrophobicContact CZ-CD2 4.32Å; L382-L402 HydrophobicContact CB-CD1 4.03Å; L382-L402 HydrophobicContact CD1-CD1 4.42Å; L386-L402 HydrophobicContact CD1-CD2 4Å; C398-L402 WeakPolarHBondContact O-CB 3.12Å; C398-L402 PolarHBondContact O-N 2.81Å; T399-L402 PolarHBondContact O-N 3.46Å; I400-L402 VanDerWaalsContact C-N 3.26Å; I400-L402 PolarHBondContact O-N 2.96Å; L402-G404 VanDerWaalsContact C-N 3.26Å; L402-G404 PolarHBondContact O-N 3.13Å; L402-F405 PolarHBondContact O-N 2.87Å; L402-V406 VanDerWaalsContact O-CG2 3.27Å; L402-V406 WeakPolarHBondContact O-CG2 3.44Å; L402-V406 PolarHBondContact O-N 3.41Å
403V83.8Confident80.9Confident32 Ų3223.5 Ų23.519%0.19412%0.121CC..Hα-helixtrans-57.5-44.7176.2172.70000110.4A309 I312 T399 I400 V406 A407A309-V403 HydrophobicContact CB-CG1 4.21Å; I312-V403 HydrophobicContact CB-CG1 3.89Å; I312-V403 HydrophobicContact CD1-CG1 4.17Å; I312-V403 HydrophobicContact CG2-CG1 3.71Å; T399-V403 WeakPolarHBondContact O-CG2 3.26Å; T399-V403 PolarHBondContact O-N 3.14Å; T399-V403 VanDerWaalsContact O-N 3.11Å; I400-V403 PolarHBondContact O-N 2.97Å; V403-V406 PolarHBondContact O-N 3.01Å; V403-A407 WeakPolarHBondContact O-CB 3.32Å; V403-A407 PolarHBondContact O-N 3.26Å
404G81Confident82Confident0 Ų021.2 Ų21.20%011%0.111CC..Hα-helixtrans-59.8-46.3176.700000115.8I400 A401 L402 V406 A407 D408I400-G404 PolarHBondContact O-N 3.45Å; A401-G404 PolarHBondContact O-N 2.95Å; L402-G404 VanDerWaalsContact C-N 3.26Å; L402-G404 PolarHBondContact O-N 3.13Å; G404-V406 VanDerWaalsContact C-N 3.35Å; G404-A407 WeakPolarHBondContact O-CB 3.27Å; G404-A407 PolarHBondContact O-N 2.95Å; G404-D408 WeakPolarHBondContact O-CB 3.43Å; G404-D408 PolarHBondContact O-N 2.82Å
405F82Confident82.9Confident25 Ų2518.2 Ų18.211%0.1110%0.095CC..Hα-helixtrans-67.4-37.1-179.9-172.4-97.4000111.8V335 F375 L382 A401 L402 F409V335-F405 HydrophobicContact CG1-CD2 3.81Å; V335-F405 HydrophobicContact CG1-CE2 3.43Å; V335-F405 VanDerWaalsContact CG1-CE2 3.43Å; V335-F405 HydrophobicContact CG1-CZ 4.5Å; V335-F405 HydrophobicContact CG2-CE2 4.45Å; F375-F405 HydrophobicContact CB-CE1 4.17Å; F375-F405 HydrophobicContact CB-CZ 4.49Å; F375-F405 AromaticContact CD2-CD1 3.56Å; F375-F405 HydrophobicContact CD2-CD1 3.56Å; F375-F405 AromaticContact CD2-CE1 3.17Å; F375-F405 HydrophobicContact CD2-CE1 3.17Å; F375-F405 HydrophobicContact CD2-CZ 4.07Å; F375-F405 AromaticContact CE2-CD1 3.52Å; F375-F405 HydrophobicContact CE2-CD1 3.52Å; F375-F405 AromaticContact CE2-CE1 3.62Å; F375-F405 HydrophobicContact CE2-CE1 3.62Å; F375-F405 AromaticContact CG-CE1 3.82Å; F375-F405 HydrophobicContact CG-CE1 3.82Å; F375-F405 HydrophobicContact CZ-CD1 4.49Å; F375-F405 WeakPolarHBondContact O-CE1 3.47Å; L382-F405 HydrophobicContact CD1-CB 4.35Å; A401-F405 WeakPolarHBondContact O-CB 3.22Å; A401-F405 PolarHBondContact O-N 3Å; L402-F405 PolarHBondContact O-N 2.87Å; F405-F409 WeakPolarHBondContact O-CB 3.45Å; F405-F409 PolarHBondContact O-N 3.38Å; F405-F409 VanDerWaalsContact O-N 3.08Å
406V85.1Confident83.6Confident31 Ų3116.6 Ų16.619%0.1889%0.085CC..Hα-helixtrans-66.4-42.3171.6177.10000111.1F375 F379 L402 V403 G404 Y410 F669F375-V406 HydrophobicContact CE2-CG2 4.32Å; F375-V406 HydrophobicContact CZ-CG2 4.06Å; F379-V406 HydrophobicContact CD2-CG2 4.35Å; F379-V406 HydrophobicContact CE2-CG2 4.27Å; L402-V406 VanDerWaalsContact O-CG2 3.27Å; L402-V406 WeakPolarHBondContact O-CG2 3.44Å; L402-V406 PolarHBondContact O-N 3.41Å; V403-V406 PolarHBondContact O-N 3.01Å; G404-V406 VanDerWaalsContact C-N 3.35Å; V406-Y410 PolarHBondContact O-N 3.45Å; V406-Y410 VanDerWaalsContact O-N 3.12Å; V406-F669 HydrophobicContact CG1-CE1 3.64Å; V406-F669 HydrophobicContact CG1-CZ 3.8Å
407A86.1Confident84.3Confident0 Ų014.9 Ų14.90%08%0.076CC..Hα-helixtrans-63.2-42.2176.900000112.6M308 A309 V403 G404 Y410 M411M308-A407 HydrophobicContact CE-CB 3.34Å; M308-A407 WeakPolarHBondContact CE-O 3.21Å; A309-A407 HydrophobicContact CB-CB 4.11Å; V403-A407 WeakPolarHBondContact O-CB 3.32Å; V403-A407 PolarHBondContact O-N 3.26Å; G404-A407 WeakPolarHBondContact O-CB 3.27Å; G404-A407 PolarHBondContact O-N 2.95Å; A407-Y410 PolarHBondContact O-N 3.31Å; A407-M411 WeakPolarHBondContact O-CG 3.44Å; A407-M411 PolarHBondContact O-N 3.35Å
408D86Confident84.8Confident2 Ų212.2 Ų12.21%0.0117%0.065CC..Hα-helixtrans-65.3-47.3178179.653.2000112.3G336 G404 Y410 M411 Q412G336-D408 VanDerWaalsContact CA-OD2 3.32Å; G336-D408 WeakPolarHBondContact CA-OD2 3.45Å; G404-D408 WeakPolarHBondContact O-CB 3.43Å; G404-D408 PolarHBondContact O-N 2.82Å; D408-Y410 VanDerWaalsContact C-N 3.27Å; D408-Y410 PolarHBondContact O-N 2.9Å; D408-M411 PolarHBondContact O-N 3.35Å; D408-M411 VanDerWaalsContact O-N 3.13Å; D408-Q412 WeakPolarHBondContact O-CG 3.43Å; D408-Q412 PolarHBondContact O-N 3.47Å; D408-Q412 PolarHBondContact OD1-NE2 3.12Å; D408-Q412 PolarHBondContact OD2-NE2 3.45Å
409F87.6Confident85.2Confident24 Ų2413.4 Ų13.411%0.1057%0.073CC..Hα-helixtrans-57.1-40.9174.6178.6-101.7000112.3Y16 L371 F375 F405 L413 I676Y16-F409 WeakPolarHBondContact OH-CE2 3.39Å; Y16-F409 VanDerWaalsContact OH-CZ 3.29Å; Y16-F409 WeakPolarHBondContact OH-CZ 3.41Å; L371-F409 HydrophobicContact CD2-CE2 4.24Å; L371-F409 HydrophobicContact CG-CD2 4.41Å; L371-F409 HydrophobicContact CG-CE2 4.02Å; F375-F409 HydrophobicContact CB-CD2 4.1Å; F375-F409 HydrophobicContact CB-CE2 4.22Å; F375-F409 HydrophobicContact CD2-CB 3.59Å; F375-F409 HydrophobicContact CD2-CD1 4.21Å; F375-F409 AromaticContact CD2-CD2 3.77Å; F375-F409 HydrophobicContact CD2-CD2 3.77Å; F375-F409 AromaticContact CD2-CG 3.59Å; F375-F409 HydrophobicContact CD2-CG 3.59Å; F375-F409 HydrophobicContact CE2-CB 3.62Å; F375-F409 HydrophobicContact CE2-CD1 4.14Å; F375-F409 HydrophobicContact CE2-CD2 4.46Å; F375-F409 AromaticContact CE2-CG 3.83Å; F375-F409 HydrophobicContact CE2-CG 3.83Å; F375-F409 AromaticContact CG-CD2 3.99Å; F375-F409 HydrophobicContact CG-CD2 3.99Å; F375-F409 HydrophobicContact CG-CE2 4.29Å; F375-F409 HydrophobicContact CG-CG 4.14Å; F375-F409 HydrophobicContact CZ-CD1 4.41Å; F405-F409 WeakPolarHBondContact O-CB 3.45Å; F405-F409 PolarHBondContact O-N 3.38Å; F405-F409 VanDerWaalsContact O-N 3.08Å; F409-L413 HydrophobicContact CD1-CD1 4.27Å; F409-L413 HydrophobicContact CE1-CD1 3.67Å; F409-L413 HydrophobicContact CE2-CD1 4.11Å; F409-L413 HydrophobicContact CZ-CD1 3.58Å; F409-L413 PolarHBondContact O-N 2.91Å; F409-I676 HydrophobicContact CE1-CG2 4.45Å
410Y88Confident85.4Confident11 Ų1111.5 Ų11.54%0.0436%0.061CC..Hα-helixtrans-63.3-47.7174.4176.3-92.8000112.3H33 M308 V406 A407 D408 Q412 L413 F414 F669H33-Y410 PolarHBondContact CE1-OH 3.11Å; H33-Y410 VanDerWaalsContact CE1-OH 3.22Å; H33-Y410 PolarHBondContact ND1-OH 2.76Å; H33-Y410 VanDerWaalsContact ND1-OH 3.09Å; M308-Y410 HydrophobicContact CE-CD1 3.85Å; M308-Y410 HydrophobicContact CE-CG 4.39Å; M308-Y410 HydrophobicContact SD-CD1 4.33Å; V406-Y410 PolarHBondContact O-N 3.45Å; V406-Y410 VanDerWaalsContact O-N 3.12Å; A407-Y410 PolarHBondContact O-N 3.31Å; D408-Y410 VanDerWaalsContact C-N 3.27Å; D408-Y410 PolarHBondContact O-N 2.9Å; Y410-Q412 VanDerWaalsContact C-N 3.32Å; Y410-Q412 PolarHBondContact O-N 3.46Å; Y410-L413 PolarHBondContact O-N 3.44Å; Y410-F414 AromaticContact CD2-CD2 3.41Å; Y410-F414 HydrophobicContact CD2-CD2 3.41Å; Y410-F414 VanDerWaalsContact CD2-CD2 3.41Å; Y410-F414 AromaticContact CD2-CE2 3.7Å; Y410-F414 HydrophobicContact CD2-CE2 3.7Å; Y410-F414 HydrophobicContact CD2-CG 4.3Å; Y410-F414 HydrophobicContact CE1-CB 4.13Å; Y410-F414 HydrophobicContact CE1-CD2 4.41Å; Y410-F414 HydrophobicContact CE1-CG 4.46Å; Y410-F414 HydrophobicContact CE2-CB 4.35Å; Y410-F414 AromaticContact CE2-CD2 3.28Å; Y410-F414 HydrophobicContact CE2-CD2 3.28Å; Y410-F414 AromaticContact CE2-CE2 3.57Å; Y410-F414 HydrophobicContact CE2-CE2 3.57Å; Y410-F414 AromaticContact CE2-CG 3.81Å; Y410-F414 HydrophobicContact CE2-CG 3.81Å; Y410-F414 HydrophobicContact CE2-CZ 4.31Å; Y410-F414 HydrophobicContact CG-CD2 4.03Å; Y410-F414 AromaticContact CZ-CD2 3.82Å; Y410-F414 AromaticContact CZ-CG 3.89Å; Y410-F414 WeakPolarHBondContact O-CD2 3.42Å; Y410-F414 PolarHBondContact O-N 3.25Å; Y410-F669 HydrophobicContact CD1-CD2 4.48Å; Y410-F669 AromaticContact CD1-CE2 3.83Å; Y410-F669 HydrophobicContact CD1-CE2 3.83Å; Y410-F669 AromaticContact CD2-CD2 3.79Å; Y410-F669 HydrophobicContact CD2-CD2 3.79Å; Y410-F669 AromaticContact CD2-CE2 3.38Å; Y410-F669 HydrophobicContact CD2-CE2 3.38Å; Y410-F669 HydrophobicContact CD2-CZ 4.3Å; Y410-F669 HydrophobicContact CE1-CE2 4.35Å; Y410-F669 AromaticContact CE2-CD2 3.9Å; Y410-F669 HydrophobicContact CE2-CD2 3.9Å; Y410-F669 AromaticContact CE2-CE2 3.96Å; Y410-F669 HydrophobicContact CE2-CE2 3.96Å; Y410-F669 HydrophobicContact CG-CD2 4.1Å; Y410-F669 AromaticContact CG-CE2 3.31Å; Y410-F669 HydrophobicContact CG-CE2 3.31Å; Y410-F669 HydrophobicContact CG-CZ 4.14Å
411M89.4Confident85.7Confident0 Ų011.2 Ų11.20%06%0.06CC..Hα-helixtrans-66.3-33.2-178.4-70.5-53.9-63.700112.5V38 L304 M308 A407 D408 L413 F415 Y416V38-M411 HydrophobicContact CG2-CE 3.81Å; V38-M411 HydrophobicContact CG2-SD 3.63Å; L304-M411 HydrophobicContact CB-CE 3.53Å; L304-M411 HydrophobicContact CD1-CE 3.7Å; L304-M411 HydrophobicContact CG-CE 4.28Å; M308-M411 HydrophobicContact CE-CG 4.2Å; M308-M411 HydrophobicContact CE-SD 4.48Å; A407-M411 WeakPolarHBondContact O-CG 3.44Å; A407-M411 PolarHBondContact O-N 3.35Å; D408-M411 PolarHBondContact O-N 3.35Å; D408-M411 VanDerWaalsContact O-N 3.13Å; M411-L413 VanDerWaalsContact C-N 3.32Å; M411-L413 PolarHBondContact O-N 2.91Å; M411-F415 HydrophobicContact CE-CB 3.46Å; M411-F415 VanDerWaalsContact CE-CB 3.46Å; M411-F415 HydrophobicContact CE-CD1 4.19Å; M411-F415 HydrophobicContact CE-CD2 4.29Å; M411-F415 HydrophobicContact CE-CG 3.73Å; M411-F415 WeakPolarHBondContact O-CA 3.41Å; M411-F415 VanDerWaalsContact O-CB 3.29Å; M411-F415 WeakPolarHBondContact O-CB 3.33Å; M411-F415 PolarHBondContact O-N 3.16Å; M411-F415 HydrophobicContact SD-CB 4.5Å; M411-Y416 PolarHBondContact O-N 2.85Å
412Q88.2Confident85.8Confident2 Ų216 Ų161%0.0098%0.081CC..Iπ-helixtrans-61.9-40.1173.2-73.8165.619.600112.1N339 I340 D408 Y410 Y416 A417N339-Q412 VanDerWaalsContact CB-OE1 3.32Å; N339-Q412 PolarHBondContact ND2-OE1 3.33Å; I340-Q412 HydrophobicContact CD1-CG 4.48Å; I340-Q412 HydrophobicContact CG1-CG 4.11Å; D408-Q412 WeakPolarHBondContact O-CG 3.43Å; D408-Q412 PolarHBondContact O-N 3.47Å; D408-Q412 PolarHBondContact OD1-NE2 3.12Å; D408-Q412 PolarHBondContact OD2-NE2 3.45Å; Y410-Q412 VanDerWaalsContact C-N 3.32Å; Y410-Q412 PolarHBondContact O-N 3.46Å; Q412-Y416 WeakPolarHBondContact O-CB 3.47Å; Q412-A417 PolarHBondContact O-N 3.05Å
413L87.2Confident85.7Confident4 Ų415.1 Ų15.12%0.0218%0.077CC..Iπ-helixtrans-79.3-49.6179.9-70.7171.8000112.7Y16 Y19 F409 Y410 M411 A417 P418Y16-L413 HydrophobicContact CD1-CD2 3.93Å; Y16-L413 HydrophobicContact CE1-CD1 4.23Å; Y16-L413 HydrophobicContact CE1-CD2 3.46Å; Y16-L413 VanDerWaalsContact CE1-CD2 3.46Å; Y16-L413 HydrophobicContact CE1-CG 4.43Å; Y19-L413 HydrophobicContact CD1-CD2 4.15Å; Y19-L413 HydrophobicContact CE1-CB 3.8Å; Y19-L413 HydrophobicContact CE1-CD2 3.86Å; Y19-L413 HydrophobicContact CE1-CG 4.39Å; Y19-L413 WeakPolarHBondContact CE1-O 3Å; Y19-L413 PolarHBondContact OH-O 3.33Å; F409-L413 HydrophobicContact CD1-CD1 4.27Å; F409-L413 HydrophobicContact CE1-CD1 3.67Å; F409-L413 HydrophobicContact CE2-CD1 4.11Å; F409-L413 HydrophobicContact CZ-CD1 3.58Å; F409-L413 PolarHBondContact O-N 2.91Å; Y410-L413 PolarHBondContact O-N 3.44Å; M411-L413 VanDerWaalsContact C-N 3.32Å; M411-L413 PolarHBondContact O-N 2.91Å; L413-A417 WeakPolarHBondContact O-CB 3.39Å; L413-P418 WeakPolarHBondContact O-CD 3.44Å
414F87.4Confident85.4Confident20 Ų2013.7 Ų13.79%0.0887%0.068CC..Iπ-helixtrans-92-11.5-169.8-72.7-87000115Y19 S34 Y410 V672 I676Y19-F414 HydrophobicContact CE2-CD1 4.46Å; Y19-F414 AromaticContact CE2-CE1 3.91Å; Y19-F414 HydrophobicContact CE2-CE1 3.91Å; Y19-F414 AromaticContact CE2-CZ 3.95Å; Y19-F414 HydrophobicContact CE2-CZ 3.95Å; Y19-F414 WeakPolarHBondContact OH-CA 3.26Å; Y19-F414 WeakPolarHBondContact OH-CD1 3.27Å; Y19-F414 WeakPolarHBondContact OH-CD2 3.31Å; Y19-F414 WeakPolarHBondContact OH-CE1 3.29Å; Y19-F414 WeakPolarHBondContact OH-CG 3.45Å; Y19-F414 PolarHBondContact OH-N 2.87Å; S34-F414 WeakPolarHBondContact CB-O 3.15Å; S34-F414 PolarHBondContact OG-O 3.44Å; Y410-F414 AromaticContact CD2-CD2 3.41Å; Y410-F414 HydrophobicContact CD2-CD2 3.41Å; Y410-F414 VanDerWaalsContact CD2-CD2 3.41Å; Y410-F414 AromaticContact CD2-CE2 3.7Å; Y410-F414 HydrophobicContact CD2-CE2 3.7Å; Y410-F414 HydrophobicContact CD2-CG 4.3Å; Y410-F414 HydrophobicContact CE1-CB 4.13Å; Y410-F414 HydrophobicContact CE1-CD2 4.41Å; Y410-F414 HydrophobicContact CE1-CG 4.46Å; Y410-F414 HydrophobicContact CE2-CB 4.35Å; Y410-F414 AromaticContact CE2-CD2 3.28Å; Y410-F414 HydrophobicContact CE2-CD2 3.28Å; Y410-F414 AromaticContact CE2-CE2 3.57Å; Y410-F414 HydrophobicContact CE2-CE2 3.57Å; Y410-F414 AromaticContact CE2-CG 3.81Å; Y410-F414 HydrophobicContact CE2-CG 3.81Å; Y410-F414 HydrophobicContact CE2-CZ 4.31Å; Y410-F414 HydrophobicContact CG-CD2 4.03Å; Y410-F414 AromaticContact CZ-CD2 3.82Å; Y410-F414 AromaticContact CZ-CG 3.89Å; Y410-F414 WeakPolarHBondContact O-CD2 3.42Å; Y410-F414 PolarHBondContact O-N 3.25Å; F414-V672 HydrophobicContact CE2-CG1 4.04Å; F414-V672 HydrophobicContact CZ-CG1 3.69Å; F414-I676 HydrophobicContact CE2-CD1 3.72Å; F414-I676 HydrophobicContact CZ-CD1 4.04Å
415F90.2Very high85.2Confident10 Ų1016.8 Ų16.84%0.0449%0.093CC..Iπ-helixtrans-122.3-52.5177.5-174.9-95.8000112L31 L35 L300 T301 L304 M411 P418 C419L31-F415 HydrophobicContact CD2-CD2 3.61Å; L31-F415 HydrophobicContact CD2-CE2 3.87Å; L31-F415 HydrophobicContact CD2-CG 4.3Å; L35-F415 HydrophobicContact CD2-CD2 4.38Å; L35-F415 HydrophobicContact CD2-CE2 3.91Å; L35-F415 HydrophobicContact CG-CE2 4.25Å; L300-F415 HydrophobicContact CB-CE1 4.03Å; L300-F415 HydrophobicContact CB-CZ 4.39Å; L300-F415 HydrophobicContact CD2-CE1 3.96Å; L300-F415 HydrophobicContact CD2-CZ 3.46Å; L300-F415 VanDerWaalsContact CD2-CZ 3.46Å; L300-F415 HydrophobicContact CG-CE1 3.8Å; L300-F415 HydrophobicContact CG-CZ 3.73Å; T301-F415 HydrophobicContact CG2-CD1 3.5Å; T301-F415 VanDerWaalsContact CG2-CD1 3.5Å; T301-F415 HydrophobicContact CG2-CE1 4.07Å; L304-F415 HydrophobicContact CD1-CD1 4.24Å; L304-F415 HydrophobicContact CD1-CD2 4.18Å; L304-F415 HydrophobicContact CD1-CE1 4.04Å; L304-F415 HydrophobicContact CD1-CE2 3.96Å; L304-F415 HydrophobicContact CD1-CG 4.34Å; L304-F415 HydrophobicContact CD1-CZ 3.9Å; M411-F415 HydrophobicContact CE-CB 3.46Å; M411-F415 VanDerWaalsContact CE-CB 3.46Å; M411-F415 HydrophobicContact CE-CD1 4.19Å; M411-F415 HydrophobicContact CE-CD2 4.29Å; M411-F415 HydrophobicContact CE-CG 3.73Å; M411-F415 WeakPolarHBondContact O-CA 3.41Å; M411-F415 VanDerWaalsContact O-CB 3.29Å; M411-F415 WeakPolarHBondContact O-CB 3.33Å; M411-F415 PolarHBondContact O-N 3.16Å; M411-F415 HydrophobicContact SD-CB 4.5Å; F415-P418 WeakPolarHBondContact O-CD 3.39Å; F415-C419 WeakPolarHBondContact O-CB 3.49Å; F415-C419 PolarHBondContact O-N 3.3Å; F415-C419 PolarHBondContact O-SG 3.43Å
416Y88.9Confident84.9Confident3 Ų322.5 Ų22.51%0.01211%0.114CC..Iπ-helixtrans-66.1-46.2-179.7-164.5-113.3000113L294 A298 T301 I340 M343 T344 M411 Q412 C419 L420L294-Y416 HydrophobicContact CD1-CE2 4.49Å; L294-Y416 WeakPolarHBondContact CD1-OH 3.11Å; A298-Y416 HydrophobicContact CB-CE2 4.09Å; T301-Y416 VanDerWaalsContact CG2-CB 3.44Å; T301-Y416 HydrophobicContact CG2-CD2 3.65Å; T301-Y416 HydrophobicContact CG2-CG 3.93Å; I340-Y416 HydrophobicContact CB-CE1 4.23Å; I340-Y416 HydrophobicContact CG1-CD1 4.1Å; I340-Y416 HydrophobicContact CG1-CE1 4.27Å; I340-Y416 HydrophobicContact CG1-CG 4.26Å; I340-Y416 HydrophobicContact CG2-CD1 4.3Å; I340-Y416 HydrophobicContact CG2-CE1 3.63Å; I340-Y416 HydrophobicContact CG2-CE2 3.91Å; I340-Y416 WeakPolarHBondContact CG2-OH 3.14Å; M343-Y416 HydrophobicContact CE-CD1 4.4Å; M343-Y416 HydrophobicContact SD-CD1 4.13Å; T344-Y416 WeakPolarHBondContact OG1-CE1 3.39Å; T344-Y416 PolarHBondContact OG1-OH 3.33Å; M411-Y416 PolarHBondContact O-N 2.85Å; Q412-Y416 WeakPolarHBondContact O-CB 3.47Å; Y416-C419 WeakPolarHBondContact O-CB 3.47Å; Y416-C419 PolarHBondContact O-N 2.9Å; Y416-C419 VanDerWaalsContact O-N 3.13Å; Y416-L420 WeakPolarHBondContact O-CB 3.36Å; Y416-L420 PolarHBondContact O-N 2.84Å
417A88.5Confident84.2Confident0 Ų022.1 Ų22.10%011%0.11CC..Hα-helixtrans-58.1-47-179.500000113.1M343 L364 Q412 L413 L420 A421M343-A417 VanDerWaalsContact CE-CA 3.47Å; M343-A417 HydrophobicContact CE-CB 3.36Å; L364-A417 HydrophobicContact CD1-CB 4.21Å; Q412-A417 PolarHBondContact O-N 3.05Å; L413-A417 WeakPolarHBondContact O-CB 3.39Å; A417-L420 PolarHBondContact O-N 2.99Å; A417-A421 PolarHBondContact O-N 3.04Å
418P86.9Confident83.2Confident0 Ų023 Ų230%012%0.119CC..Hα-helixtrans-64.1-38.7171.9-2536.4000113.8C23 P27 T30 L31 L413 F415 L420 A421 F422C23-P418 HydrophobicContact CB-CG 4.28Å; P27-P418 HydrophobicContact CB-CB 4.47Å; T30-P418 VanDerWaalsContact OG1-CG 3.27Å; T30-P418 WeakPolarHBondContact OG1-CG 3.46Å; L31-P418 HydrophobicContact CD1-CB 4.33Å; L31-P418 HydrophobicContact CD2-CB 3.98Å; L31-P418 HydrophobicContact CG-CB 3.79Å; L413-P418 WeakPolarHBondContact O-CD 3.44Å; F415-P418 WeakPolarHBondContact O-CD 3.39Å; P418-L420 VanDerWaalsContact C-N 3.33Å; P418-L420 PolarHBondContact O-N 3.13Å; P418-A421 WeakPolarHBondContact O-CB 3.21Å; P418-A421 PolarHBondContact O-N 3.45Å; P418-F422 WeakPolarHBondContact O-CB 3.42Å; P418-F422 PolarHBondContact O-N 3.27Å
419C85.6Confident82.1Confident33 Ų3328.4 Ų28.422%0.22315%0.154CC..Hα-helixtrans-59.9-43.5174.8-76.10000111.8F415 Y416 F422 D423F415-C419 WeakPolarHBondContact O-CB 3.49Å; F415-C419 PolarHBondContact O-N 3.3Å; F415-C419 PolarHBondContact O-SG 3.43Å; Y416-C419 WeakPolarHBondContact O-CB 3.47Å; Y416-C419 PolarHBondContact O-N 2.9Å; Y416-C419 VanDerWaalsContact O-N 3.13Å; C419-F422 PolarHBondContact O-N 2.91Å; C419-D423 PolarHBondContact O-N 3.48Å
420L83.4Confident80.6Confident4 Ų437.5 Ų37.52%0.02119%0.188CC..Hα-helixtrans-64.4-41.9175.9-177.664000111.6L294 M343 T344 V347 Y416 A417 P418 F422 D423 L424L294-L420 HydrophobicContact CD1-CD1 3.9Å; M343-L420 HydrophobicContact CE-CD2 4.19Å; T344-L420 HydrophobicContact CG2-CD1 4.21Å; V347-L420 HydrophobicContact CB-CD2 3.89Å; V347-L420 HydrophobicContact CG1-CD2 4.06Å; V347-L420 HydrophobicContact CG1-CG 4.49Å; V347-L420 HydrophobicContact CG2-CD2 3.85Å; Y416-L420 WeakPolarHBondContact O-CB 3.36Å; Y416-L420 PolarHBondContact O-N 2.84Å; A417-L420 PolarHBondContact O-N 2.99Å; P418-L420 VanDerWaalsContact C-N 3.33Å; P418-L420 PolarHBondContact O-N 3.13Å; L420-F422 VanDerWaalsContact C-N 3.31Å; L420-F422 PolarHBondContact O-N 2.66Å; L420-D423 PolarHBondContact O-N 3Å; L420-L424 HydrophobicContact CD1-CD1 4.3Å; L420-L424 HydrophobicContact CG-CD1 4.01Å; L420-L424 WeakPolarHBondContact O-CB 3.32Å; L420-L424 WeakPolarHBondContact O-CD1 3.35Å; L420-L424 VanDerWaalsContact O-CG 3.32Å; L420-L424 WeakPolarHBondContact O-CG 3.32Å; L420-L424 PolarHBondContact O-N 3.4Å
421A82.5Confident79.4Confident5 Ų539.5 Ų39.54%0.04120%0.199CC..Hα-helixtrans-60.9-40.6174.700000112.3C24 V360 A417 P418 A425C24-A421 WeakPolarHBondContact SG-CB 3.29Å; V360-A421 HydrophobicContact CG1-CB 4.45Å; V360-A421 HydrophobicContact CG2-CB 3.91Å; A417-A421 PolarHBondContact O-N 3.04Å; P418-A421 WeakPolarHBondContact O-CB 3.21Å; P418-A421 PolarHBondContact O-N 3.45Å; A421-A425 WeakPolarHBondContact O-CB 3.32Å; A421-A425 PolarHBondContact O-N 3.32Å
422F81.9Confident78.3Confident100 Ų10043.2 Ų43.244%0.43922%0.215SC..Hα-helixtrans-65.8-44.7177.1-175-96.5000112.2P418 C419 L420 L424 A425 R426P418-F422 WeakPolarHBondContact O-CB 3.42Å; P418-F422 PolarHBondContact O-N 3.27Å; C419-F422 PolarHBondContact O-N 2.91Å; L420-F422 VanDerWaalsContact C-N 3.31Å; L420-F422 PolarHBondContact O-N 2.66Å; F422-L424 PolarHBondContact O-N 3.07Å; F422-A425 WeakPolarHBondContact O-CB 3.44Å; F422-A425 PolarHBondContact O-N 3.44Å; F422-R426 PolarHBondContact O-N 2.98Å
423D80.1Confident76.9Confident12 Ų1245.7 Ų45.76%0.06424%0.236CC..Hα-helixtrans-65.7-39.4177.8-167.362.7000111.7V288 C419 L420 A425 R426V288-D423 WeakPolarHBondContact CG1-OD2 3.46Å; C419-D423 PolarHBondContact O-N 3.48Å; L420-D423 PolarHBondContact O-N 3Å; D423-A425 VanDerWaalsContact C-N 3.29Å; D423-A425 PolarHBondContact O-N 3.38Å; D423-R426 VanDerWaalsContact O-CB 3.29Å; D423-R426 WeakPolarHBondContact O-CB 3.14Å; D423-R426 PolarHBondContact O-N 3.5Å; D423-R426 VanDerWaalsContact O-N 3.07Å
424L77.6Confident75.6Confident2 Ų249.6 Ų49.61%0.0126%0.26CS..Hα-helixtrans-65.3-30.9173.9-72.8163.7000113.2V347 V356 V360 L420 F422 R426 F427V347-L424 HydrophobicContact CG1-CD1 3.32Å; V356-L424 HydrophobicContact CG1-CB 3.71Å; V360-L424 HydrophobicContact CG2-CD1 3.7Å; L420-L424 HydrophobicContact CD1-CD1 4.3Å; L420-L424 HydrophobicContact CG-CD1 4.01Å; L420-L424 WeakPolarHBondContact O-CB 3.32Å; L420-L424 WeakPolarHBondContact O-CD1 3.35Å; L420-L424 VanDerWaalsContact O-CG 3.32Å; L420-L424 WeakPolarHBondContact O-CG 3.32Å; L420-L424 PolarHBondContact O-N 3.4Å; F422-L424 PolarHBondContact O-N 3.07Å; L424-R426 PolarHBondContact O-N 2.98Å; L424-F427 HydrophobicContact CD2-CD2 4.29Å; L424-F427 HydrophobicContact CD2-CE2 4.03Å; L424-F427 WeakPolarHBondContact O-CD2 3.47Å
425A76.2Confident74.3Confident64 Ų6449.5 Ų49.553%0.52926%0.261SS..Hα-helixtrans-69-21174.400000112.7V356 A421 F422 D423 F427V356-A425 HydrophobicContact CG1-CB 4.3Å; A421-A425 WeakPolarHBondContact O-CB 3.32Å; A421-A425 PolarHBondContact O-N 3.32Å; F422-A425 WeakPolarHBondContact O-CB 3.44Å; F422-A425 PolarHBondContact O-N 3.44Å; D423-A425 VanDerWaalsContact C-N 3.29Å; D423-A425 PolarHBondContact O-N 3.38Å; A425-F427 VanDerWaalsContact C-N 3.3Å; A425-F427 PolarHBondContact O-N 3.21Å
426R76.1Confident72.7Confident146 Ų14651.7 Ų51.755%0.55127%0.273SS*.THydrogen-bonded Turntrans-77.6-11.9-179-151.5179.6-179.5-164.10.1113.6K289 F422 D423 L424 G428K289-R426 HydrophobicContact CD-CB 4.14Å; K289-R426 HydrophobicContact CD-CG 4.01Å; K289-R426 WeakPolarHBondContact CD-O 3.45Å; K289-R426 WeakPolarHBondContact CE-O 3.41Å; K289-R426 PolarHBondContact NZ-O 3.16Å; F422-R426 PolarHBondContact O-N 2.98Å; D423-R426 VanDerWaalsContact O-CB 3.29Å; D423-R426 WeakPolarHBondContact O-CB 3.14Å; D423-R426 PolarHBondContact O-N 3.5Å; D423-R426 VanDerWaalsContact O-N 3.07Å; L424-R426 PolarHBondContact O-N 2.98Å; R426-G428 PolarHBondContact O-N 3.39Å
427F70.2Confident71Confident23 Ų2357.9 Ų57.910%0.10131%0.306CS..  trans-62.7119.7175.8-82-75.8000111.6M287 K289 L424 A425 D431 L435M287-F427 VanDerWaalsContact O-CZ 3.25Å; M287-F427 WeakPolarHBondContact O-CZ 3.42Å; K289-F427 HydrophobicContact CB-CE1 4.21Å; K289-F427 HydrophobicContact CB-CZ 4.22Å; L424-F427 HydrophobicContact CD2-CD2 4.29Å; L424-F427 HydrophobicContact CD2-CE2 4.03Å; L424-F427 WeakPolarHBondContact O-CD2 3.47Å; A425-F427 VanDerWaalsContact C-N 3.3Å; A425-F427 PolarHBondContact O-N 3.21Å; F427-D431 HydrophobicContact CD1-CB 3.69Å; F427-D431 HydrophobicContact CE1-CB 4.44Å; F427-L435 HydrophobicContact CE1-CD1 4.38Å
428G64.5Low69.3Low18 Ų1864.3 Ų64.319%0.18634%0.336CS..  trans-74.2166.1176.400000112.1R426 R430 D431 K432R426-G428 PolarHBondContact O-N 3.39Å; G428-R430 VanDerWaalsContact C-N 3.27Å; G428-R430 PolarHBondContact O-N 2.7Å; G428-D431 PolarHBondContact N-OD2 3.22Å; G428-D431 PolarHBondContact O-N 2.75Å; G428-K432 PolarHBondContact O-N 3.48Å; G428-K432 VanDerWaalsContact O-N 3.16Å
429P62.8Low67.5Low115 Ų11568.6 Ų68.675%0.74735%0.352SS*.Hα-helixtrans-61.5-32.9177.622.2-30.9000113.1K432 A433P429-K432 PolarHBondContact O-N 3.45Å; P429-A433 PolarHBondContact O-N 3.29Å
430R56.4Low65.3Low216 Ų21671.8 Ų71.882%0.81538%0.375SS*.Hα-helixtrans-62.9-46.9173.2-80-174.3174.9172.1-1.5112.1G428 K432 A433 T434G428-R430 VanDerWaalsContact C-N 3.27Å; G428-R430 PolarHBondContact O-N 2.7Å; R430-K432 PolarHBondContact O-N 2.89Å; R430-A433 PolarHBondContact O-N 3.42Å; R430-A433 VanDerWaalsContact O-N 3.07Å; R430-T434 PolarHBondContact O-N 2.81Å; R430-T434 PolarHBondContact O-OG1 2.97Å
431D64.6Low63.1Low53 Ų5382.6 Ų82.628%0.28342%0.415SS..Hα-helixtrans-61.9-32.5178.7-47.9-28.4000111.6K289 F427 G428 T434 L435K289-D431 IonicContact NZ-OD2 2.8Å; K289-D431 PolarHBondContact NZ-OD2 3.36Å; F427-D431 HydrophobicContact CD1-CB 3.69Å; F427-D431 HydrophobicContact CE1-CB 4.44Å; G428-D431 PolarHBondContact N-OD2 3.22Å; G428-D431 PolarHBondContact O-N 2.75Å; D431-T434 PolarHBondContact O-OG1 3.38Å; D431-L435 WeakPolarHBondContact O-CD1 3.37Å; D431-L435 VanDerWaalsContact O-CG 3.23Å; D431-L435 WeakPolarHBondContact O-CG 3.45Å; D431-L435 PolarHBondContact O-N 3.3Å
432K64.6Low60.9Low78 Ų7887.1 Ų87.134%0.33944%0.442SS..Hα-helixtrans-70-33.9175-68.4178.4-176.3-179.80112.8G428 P429 R430 N436G428-K432 PolarHBondContact O-N 3.48Å; G428-K432 VanDerWaalsContact O-N 3.16Å; P429-K432 PolarHBondContact O-N 3.45Å; R430-K432 PolarHBondContact O-N 2.89Å; K432-N436 PolarHBondContact O-N 3.34Å; K432-N436 PolarHBondContact O-ND2 3.16Å; K432-N436 PolarHBondContact O-OD1 2.9Å
433A59.2Low58.8Low54 Ų5488.9 Ų88.945%0.44646%0.461SS..Hα-helixtrans-72.1-45.2-179.900000111.7P429 R430 L435 N436 D437P429-A433 PolarHBondContact O-N 3.29Å; R430-A433 PolarHBondContact O-N 3.42Å; R430-A433 VanDerWaalsContact O-N 3.07Å; A433-L435 VanDerWaalsContact C-N 3.29Å; A433-L435 PolarHBondContact O-N 2.91Å; A433-N436 WeakPolarHBondContact O-CB 3.15Å; A433-N436 PolarHBondContact O-N 2.75Å; A433-N436 VanDerWaalsContact O-N 3.09Å; A433-D437 PolarHBondContact O-N 3.47Å; A433-D437 VanDerWaalsContact O-N 3.14Å
434T60.6Low56.8Low86 Ų8692.6 Ų92.653%0.52849%0.493SS..Hα-helixtrans-58.8-40.8176.748.50000112R430 D431 N436 D437 E438R430-T434 PolarHBondContact O-N 2.81Å; R430-T434 PolarHBondContact O-OG1 2.97Å; D431-T434 PolarHBondContact O-OG1 3.38Å; T434-N436 VanDerWaalsContact C-N 3.34Å; T434-N436 PolarHBondContact O-N 2.75Å; T434-D437 PolarHBondContact O-N 3.39Å; T434-E438 PolarHBondContact O-N 3.07Å
435L58.8Low55.1Low18 Ų18102.4 Ų102.49%0.09453%0.532CS..Hα-helixtrans-68.5-29176.7-69.3173.6000113.9M287 T352 F427 D431 A433 R439M287-L435 HydrophobicContact CE-CB 4.14Å; M287-L435 HydrophobicContact CE-CD1 4.23Å; M287-L435 HydrophobicContact CE-CD2 3.79Å; M287-L435 HydrophobicContact CE-CG 4.26Å; M287-L435 HydrophobicContact CG-CD1 3.76Å; M287-L435 HydrophobicContact CG-CD2 3.44Å; M287-L435 VanDerWaalsContact CG-CD2 3.44Å; M287-L435 HydrophobicContact CG-CG 4.22Å; M287-L435 HydrophobicContact SD-CD1 4.08Å; M287-L435 HydrophobicContact SD-CD2 4.27Å; T352-L435 HydrophobicContact CG2-CB 4.06Å; T352-L435 HydrophobicContact CG2-CD1 4.13Å; F427-L435 HydrophobicContact CE1-CD1 4.38Å; D431-L435 WeakPolarHBondContact O-CD1 3.37Å; D431-L435 VanDerWaalsContact O-CG 3.23Å; D431-L435 WeakPolarHBondContact O-CG 3.45Å; D431-L435 PolarHBondContact O-N 3.3Å; A433-L435 VanDerWaalsContact C-N 3.29Å; A433-L435 PolarHBondContact O-N 2.91Å; L435-R439 PolarHBondContact O-N 3.18Å
436N57.6Low53.6Low55 Ų55107.2 Ų107.229%0.29455%0.549SS..Hα-helixtrans-73.3-37.8176.4-75.1-12.5000111.7T352 K432 A433 T434 R439 S440T352-N436 WeakPolarHBondContact CB-OD1 3.24Å; T352-N436 PolarHBondContact OG1-OD1 3.37Å; K432-N436 PolarHBondContact O-N 3.34Å; K432-N436 PolarHBondContact O-ND2 3.16Å; K432-N436 PolarHBondContact O-OD1 2.9Å; A433-N436 WeakPolarHBondContact O-CB 3.15Å; A433-N436 PolarHBondContact O-N 2.75Å; A433-N436 VanDerWaalsContact O-N 3.09Å; T434-N436 VanDerWaalsContact C-N 3.34Å; T434-N436 PolarHBondContact O-N 2.75Å; N436-R439 PolarHBondContact O-N 3.3Å; N436-S440 PolarHBondContact O-N 3.11Å; N436-S440 VanDerWaalsContact O-N 3.1Å; N436-S440 PolarHBondContact O-OG 3.48Å
437D53.6Low52.2Low133 Ų133102.9 Ų102.971%0.71154%0.536SS*.Hα-helixtrans-65.4-41.5177.7-92.5-5.4000111.8A433 T434 R439A433-D437 PolarHBondContact O-N 3.47Å; A433-D437 VanDerWaalsContact O-N 3.14Å; T434-D437 PolarHBondContact O-N 3.39Å; D437-R439 PolarHBondContact O-N 3.02Å
438E51.5Low51.3Low136 Ų136104.9 Ų104.964%0.63655%0.552SS**Hα-helixtrans-65-38.9177.7-73.3178.5171.100112.8T434T434-E438 PolarHBondContact O-N 3.07Å
439R49.2Very low50.4Low90 Ų90113.5 Ų113.534%0.3458%0.584SS.*Hα-helixtrans-87.7-13.5-176.2-92.8-169.9-177.3179.68.1115.7V348 S349 L435 N436 D437 R441 T442V348-R439 PolarHBondContact O-NH2 2.81Å; S349-R439 PolarHBondContact O-NH1 3.3Å; L435-R439 PolarHBondContact O-N 3.18Å; N436-R439 PolarHBondContact O-N 3.3Å; D437-R439 PolarHBondContact O-N 3.02Å; R439-R441 PolarHBondContact O-N 3.29Å; R439-T442 PolarHBondContact O-N 3.32Å; R439-T442 PolarHBondContact O-OG1 3.36Å
440S41.1Very low49.9Very low100 Ų100110.1 Ų110.170%0.69956%0.556SS**THydrogen-bonded Turntrans-59.2-10.7173.8-63.50000113N436N436-S440 PolarHBondContact O-N 3.11Å; N436-S440 VanDerWaalsContact O-N 3.1Å; N436-S440 PolarHBondContact O-OG 3.48Å
441R37.1Very low49.4Very low231 Ų231102 Ų10287%0.87253%0.533SS*.THydrogen-bonded Turntrans-93.4-2.5175.4-69.6-179.2175166.7-0.3115.7R439R439-R441 PolarHBondContact O-N 3.29Å
442T35.2Very low48.1Very low99 Ų99106.8 Ų106.861%0.60755%0.553SS**SBendtrans-130.7135.6179.651.90000112.5R439 A444R439-T442 PolarHBondContact O-N 3.32Å; R439-T442 PolarHBondContact O-OG1 3.36Å; T442-A444 PolarHBondContact O-N 2.89Å
443V38.6Very low47.1Very low137 Ų137106.1 Ų106.183%0.8356%0.556SS**  trans-44.9129.1-173.9-179.60000112.7Y445V443-Y445 PolarHBondContact O-N 3.38Å
444A37Very low45.8Very low90 Ų90108 Ų10874%0.74456%0.561SS**  trans-63.6122.4175.400000110.4T442T442-A444 PolarHBondContact O-N 2.89Å
445Y42.7Very low44.4Very low209 Ų209107.3 Ų107.382%0.8256%0.56SS**  trans-68.5129.1168.6-76.6-86.1000109.8V443 L447V443-Y445 PolarHBondContact O-N 3.38Å; Y445-L447 PolarHBondContact O-N 3.31Å; Y445-L447 VanDerWaalsContact O-N 3.16Å
446D45.3Very low43.4Very low165 Ų165111 Ų11188%0.88259%0.585SS**  trans-65.6110.9166.8-84.2-34000109.3
447L46.3Very low42.2Very low54 Ų54115.5 Ų115.528%0.28360%0.602SS.*  trans-84.3132.3179.8-69.1131000110.1T350 P351 L354 H362 Y445 K449T350-L447 HydrophobicContact CG2-CD2 4.45Å; P351-L447 HydrophobicContact CG-CD1 3.33Å; L354-L447 HydrophobicContact CD1-CD1 4.47Å; H362-L447 WeakPolarHBondContact CE1-CD2 3.32Å; H362-L447 VanDerWaalsContact ND1-CD2 3.25Å; H362-L447 WeakPolarHBondContact ND1-CD2 3.42Å; H362-L447 WeakPolarHBondContact NE2-CB 3.33Å; Y445-L447 PolarHBondContact O-N 3.31Å; Y445-L447 VanDerWaalsContact O-N 3.16Å; L447-K449 PolarHBondContact O-N 2.85Å
448P51.6Low41.4Very low66 Ų66117 Ų11743%0.42960%0.602SS.*  trans-56.7128.2171.515.4-27.9000110.7H362 Y450H362-P448 PolarHBondContact CD2-O 2.77Å; H362-P448 VanDerWaalsContact CE1-CD 3.48Å; H362-P448 WeakPolarHBondContact CE1-CD 3.37Å; H362-P448 VanDerWaalsContact NE2-CD 3.32Å; H362-P448 WeakPolarHBondContact NE2-CD 3.33Å; H362-P448 WeakPolarHBondContact NE2-CG 3.22Å; H362-P448 PolarHBondContact NE2-O 3.24Å; P448-Y450 HydrophobicContact CB-CE2 4.17Å; P448-Y450 HydrophobicContact CG-CE2 4.05Å; P448-Y450 WeakPolarHBondContact O-CD2 2.93Å
449K43.8Very low41Very low199 Ų199114.9 Ų114.987%0.86561%0.608SS**  trans-84.6115.7-179.2-69.8178.1-179.6175.60109.2L447L447-K449 PolarHBondContact O-N 2.85Å
450Y52.7Low40.3Very low43 Ų43119 Ų11917%0.16963%0.629CS.*  trans-105143.6176.1-57.7-73.9000110.9A13 H14 Y17 H362 P448A13-Y450 HydrophobicContact CB-CE1 4.25Å; H14-Y450 AromaticContact CD2-CD1 3.79Å; Y17-Y450 VanDerWaalsContact CD1-CB 3.46Å; Y17-Y450 HydrophobicContact CD1-CD2 4.47Å; Y17-Y450 HydrophobicContact CD1-CG 4.07Å; Y17-Y450 AromaticContact CD2-CD2 3.2Å; Y17-Y450 HydrophobicContact CD2-CD2 3.2Å; Y17-Y450 AromaticContact CD2-CE2 3.93Å; Y17-Y450 HydrophobicContact CD2-CE2 3.93Å; Y17-Y450 AromaticContact CD2-CG 3.64Å; Y17-Y450 HydrophobicContact CD2-CG 3.64Å; Y17-Y450 HydrophobicContact CE1-CG 4.49Å; Y17-Y450 AromaticContact CE2-CD2 3.63Å; Y17-Y450 HydrophobicContact CE2-CD2 3.63Å; Y17-Y450 HydrophobicContact CE2-CG 4.1Å; Y17-Y450 HydrophobicContact CG-CD1 4.39Å; Y17-Y450 AromaticContact CG-CD2 3.7Å; Y17-Y450 HydrophobicContact CG-CD2 3.7Å; Y17-Y450 HydrophobicContact CG-CE2 4.46Å; Y17-Y450 AromaticContact CG-CG 3.63Å; Y17-Y450 HydrophobicContact CG-CG 3.63Å; H362-Y450 AromaticContact CD2-CD2 3.82Å; H362-Y450 AromaticContact CD2-CE2 3.62Å; H362-Y450 AromaticContact NE2-CE2 3.68Å; P448-Y450 HydrophobicContact CB-CE2 4.17Å; P448-Y450 HydrophobicContact CG-CE2 4.05Å; P448-Y450 WeakPolarHBondContact O-CD2 2.93Å
451S45.6Very low39.9Very low45 Ų45122.3 Ų122.332%0.31563%0.631SS.*PPolyproline II helixtrans-67.2146.1179.654.90000113.4H14H14-S451 PolarHBondContact CE1-OG 3.38Å; H14-S451 PolarHBondContact NE2-OG 3.25Å
452Q39Very low39.6Very low154 Ų154114.1 Ų114.172%0.7262%0.618SS**PPolyproline II helixtrans-77.1143.1-175.6-69.7-172.6-12.500113.6
453V41.8Very low39.1Very low64 Ų64120.2 Ų120.239%0.38863%0.63SS.*PPolyproline II helixtrans-70.5130.8-175.2178.50000112.5K18 R21K18-V453 HydrophobicContact CG-CG2 4.5Å; R21-V453 HydrophobicContact CB-CG2 3.92Å; R21-V453 HydrophobicContact CG-CG2 4.33Å
454V33.6Very low38.5Very low93 Ų93122.8 Ų122.856%0.56463%0.63SS**  trans-109.3122.4160.3175.20000107.7P456V454-P456 WeakPolarHBondContact O-CD 3.33Å
455C31.3Very low38.2Very low73 Ų73123.5 Ų123.549%0.49363%0.63SS.*  trans-65.8116.8-178-61.70000109.7F457 K458C455-F457 PolarHBondContact O-N 2.74Å; C455-K458 HydrophobicContact CB-CB 4.41Å; C455-K458 WeakPolarHBondContact O-CB 3.3Å; C455-K458 PolarHBondContact O-N 2.66Å; C455-K458 VanDerWaalsContact O-N 3.17Å
456P36.2Very low37.3Very low96 Ų96118.3 Ų118.362%0.62362%0.624SS**THydrogen-bonded Turntrans-63.6-32.4-178.323.8-32000111.9V454 K458 A459V454-P456 WeakPolarHBondContact O-CD 3.33Å; P456-K458 PolarHBondContact O-N 3.41Å; P456-A459 WeakPolarHBondContact O-CB 3.25Å; P456-A459 PolarHBondContact O-N 3.22Å; P456-A459 VanDerWaalsContact O-N 3.08Å
457F32.5Very low36.4Very low149 Ų149119.4 Ų119.465%0.65462%0.621SS**Hα-helixtrans-69.1-16.5178.6-67.1-76.1000114.7C455 A459 F460 F461C455-F457 PolarHBondContact O-N 2.74Å; F457-A459 PolarHBondContact O-N 3.26Å; F457-F460 PolarHBondContact O-N 3.41Å; F457-F461 PolarHBondContact O-N 2.72Å
458K38Very low35.4Very low163 Ų163126 Ų12671%0.70965%0.65SS**Hα-helixtrans-67.8-27.5172-129.2-176-176.5-173.20111.2C455 P456C455-K458 HydrophobicContact CB-CB 4.41Å; C455-K458 WeakPolarHBondContact O-CB 3.3Å; C455-K458 PolarHBondContact O-N 2.66Å; C455-K458 VanDerWaalsContact O-N 3.17Å; P456-K458 PolarHBondContact O-N 3.41Å
459A41.5Very low34.1Very low92 Ų92131.8 Ų131.876%0.7667%0.674SS**Hα-helixtrans-78.7-33.117500000112.2P456 F457P456-A459 WeakPolarHBondContact O-CB 3.25Å; P456-A459 PolarHBondContact O-N 3.22Å; P456-A459 VanDerWaalsContact O-N 3.08Å; F457-A459 PolarHBondContact O-N 3.26Å
460F35.9Very low33.2Very low178 Ų178126 Ų12678%0.78166%0.664SS**Hα-helixtrans-81.2-33.2-172.3-136.8-89000114.3F457F457-F460 PolarHBondContact O-N 3.41Å
461F32.4Very low31.9Very low168 Ų168130 Ų13074%0.73769%0.694SS**SBendtrans-107.112.2-174.9-94-75.6000116F457 W463F457-F461 PolarHBondContact O-N 2.72Å; F461-W463 PolarHBondContact O-N 3.37Å
462G30.6Very low30.9Very low59 Ų59136.2 Ų136.261%0.60872%0.721SS**  trans53.723.2163.700000116.6K464G462-K464 PolarHBondContact O-N 2.76Å
463W24.1Very low30.3Very low227 Ų227133.8 Ų133.886%0.8672%0.718SS**  trans-69102.5-177.6-159.4-61.2000108.9F461 S465F461-W463 PolarHBondContact O-N 3.37Å; W463-S465 PolarHBondContact O-N 2.72Å
464K26.3Very low29.6Very low192 Ų192137.1 Ų137.184%0.83574%0.741SS**  trans-53.6121.2175.5-77.9-177175.91800108.9G462 S466G462-K464 PolarHBondContact O-N 2.76Å; K464-S466 PolarHBondContact O-N 3.3Å
465S30.2Very low29.4Very low105 Ų105138.2 Ų138.273%0.73475%0.748SS**  trans-56.9112.5176.6-171.50000109.4W463 K467W463-S465 PolarHBondContact O-N 2.72Å; S465-K467 PolarHBondContact O-N 3.34Å
466S25.1Very low29.5Very low99 Ų99141.2 Ų141.269%0.69276%0.759SS**  trans-63.7119.5162.7159.70000108.5K464K464-S466 PolarHBondContact O-N 3.3Å
467K25.8Very low29.4Very low188 Ų188144.2 Ų144.282%0.81777%0.765SS**  trans58.7105.5159.9-66.3-176.7175.3-178.70116.4S465 M469S465-K467 PolarHBondContact O-N 3.34Å; K467-M469 PolarHBondContact O-N 3.34Å; K467-M469 VanDerWaalsContact O-N 3.16Å
468E25.7Very low29.3Very low194 Ų194139.3 Ų139.391%0.90776%0.756SS**  trans-33.2115.5151.5-72.2164.9144.400110.3A470E468-A470 PolarHBondContact O-N 3.3Å
469M24.3Very low29Very low186 Ų186140.8 Ų140.892%0.91676%0.757SS**PPolyproline II helixtrans-62.3116.2162.2-166.198.2155.100105.7K467K467-M469 PolarHBondContact O-N 3.34Å; K467-M469 VanDerWaalsContact O-N 3.16Å
470A25Very low28.6Very low79 Ų79143.6 Ų143.665%0.65375%0.752SS**PPolyproline II helixtrans-49.1137.5-178.100000111E468 M472E468-A470 PolarHBondContact O-N 3.3Å; A470-M472 PolarHBondContact O-N 3.36Å
471P25.3Very low28.7Very low125 Ų125141.9 Ų141.981%0.81275%0.746SS**PPolyproline II helixtrans-61.1124.4-177.624.2-31.8000109.4
472M24.3Very low28.7Very low177 Ų177141 Ų14187%0.87274%0.744SS**PPolyproline II helixtrans-59.5141.3170.5-81.3-158-69.300109.5A470A470-M472 PolarHBondContact O-N 3.36Å
473P26.2Very low28.8Very low103 Ų103145.1 Ų145.167%0.66975%0.745SS**PPolyproline II helixtrans-63.3154.4-176.927.1-34.7000111.5V475P473-V475 PolarHBondContact O-N 3.39Å; P473-V475 VanDerWaalsContact O-N 3.15Å
474P28.3Very low29.5Very low133 Ų133136.4 Ų136.486%0.86472%0.722SS**  trans-68.2114.9-170.228.3-32.8000109.6
475V29.4Very low30.2Very low116 Ų116129.9 Ų129.970%0.70370%0.704SS**  trans-104.9114.4170.21760000107.2P473 E477P473-V475 PolarHBondContact O-N 3.39Å; P473-V475 VanDerWaalsContact O-N 3.15Å; V475-E477 PolarHBondContact O-N 3.09Å
476D31.7Very low30.4Very low137 Ų137131.6 Ų131.673%0.73370%0.698SS**  trans-18.7103.5-178.4-68.3-38.4000115.7G478 R479D476-G478 PolarHBondContact O-N 3.19Å; D476-R479 PolarHBondContact O-N 3.32Å
477E34.2Very low30.9Very low159 Ų159132.7 Ų132.774%0.74369%0.692SS**Hα-helixtrans-59.7-28.6-179.8-69.3-171.6144.600112.9V475 R479 K480 E481V475-E477 PolarHBondContact O-N 3.09Å; E477-R479 VanDerWaalsContact C-N 3.29Å; E477-R479 PolarHBondContact O-N 3.41Å; E477-K480 PolarHBondContact O-N 2.88Å; E477-K480 VanDerWaalsContact O-N 3.13Å; E477-E481 PolarHBondContact O-N 2.95Å; E477-E481 VanDerWaalsContact O-N 3.07Å
478G30.7Very low31.4Very low45 Ų45129.9 Ų129.946%0.46468%0.682SS.*Hα-helixtrans-61.8-31.4-178.800000114.2D476 Q482D476-G478 PolarHBondContact O-N 3.19Å; G478-Q482 WeakPolarHBondContact O-CB 3.07Å; G478-Q482 PolarHBondContact O-N 3.33Å
479R32.6Very low31.7Very low195 Ų195123.7 Ų123.774%0.73666%0.66SS**Hα-helixtrans-79.3-25.6179.5-152176.7-170.1-1714.6112.4D476 E477 K483D476-R479 PolarHBondContact O-N 3.32Å; E477-R479 VanDerWaalsContact C-N 3.29Å; E477-R479 PolarHBondContact O-N 3.41Å; R479-K483 WeakPolarHBondContact O-CB 3.33Å; R479-K483 PolarHBondContact O-N 3.42Å
480K32.5Very low32.1Very low151 Ų151119.2 Ų119.266%0.65764%0.637SS**Hα-helixtrans-75.5-40.5172.3-81.9-177.9179.6169.90111.2E477 K483 A484E477-K480 PolarHBondContact O-N 2.88Å; E477-K480 VanDerWaalsContact O-N 3.13Å; K480-K483 PolarHBondContact O-N 3.12Å; K480-A484 WeakPolarHBondContact O-CB 3.39Å; K480-A484 PolarHBondContact O-N 3Å
481E37.9Very low32.5Very low142 Ų142119.8 Ų119.866%0.66463%0.628SS**Hα-helixtrans-66.1-42.8175.4-70.5-170.3157.200111.7E477 K483 A484 A485E477-E481 PolarHBondContact O-N 2.95Å; E477-E481 VanDerWaalsContact O-N 3.07Å; E481-K483 PolarHBondContact O-N 3.31Å; E481-A484 PolarHBondContact O-N 2.67Å; E481-A485 VanDerWaalsContact O-CB 3.22Å; E481-A485 WeakPolarHBondContact O-CB 3.4Å; E481-A485 PolarHBondContact O-N 3.08Å
482Q32.3Very low32.7Very low148 Ų148123.3 Ų123.369%0.69263%0.625SS**Hα-helixtrans-64.3-39.8173.6-83.5-176.1-14.600112.7G478 K486G478-Q482 WeakPolarHBondContact O-CB 3.07Å; G478-Q482 PolarHBondContact O-N 3.33Å; Q482-K486 WeakPolarHBondContact O-CB 3.42Å; Q482-K486 PolarHBondContact O-N 3.05Å
483K33Very low33Very low146 Ų146119.6 Ų119.664%0.63561%0.612SS**Hα-helixtrans-65.8-41.9173.2-89.9-172.9171.9-174.40112.1R479 K480 E481 K486 E487R479-K483 WeakPolarHBondContact O-CB 3.33Å; R479-K483 PolarHBondContact O-N 3.42Å; K480-K483 PolarHBondContact O-N 3.12Å; E481-K483 PolarHBondContact O-N 3.31Å; K483-K486 PolarHBondContact O-N 3.2Å; K483-E487 VanDerWaalsContact O-CB 3.28Å; K483-E487 WeakPolarHBondContact O-CB 3.4Å; K483-E487 WeakPolarHBondContact O-CG 3.3Å; K483-E487 PolarHBondContact O-N 3.38Å
484A39.9Very low33.2Very low44 Ų44122.4 Ų122.436%0.36461%0.61SS.*Hα-helixtrans-67.5-37.4178.800000112K480 E481 Q488K480-A484 WeakPolarHBondContact O-CB 3.39Å; K480-A484 PolarHBondContact O-N 3Å; E481-A484 PolarHBondContact O-N 2.67Å; A484-Q488 VanDerWaalsContact O-CB 3.26Å; A484-Q488 WeakPolarHBondContact O-CB 3.29Å; A484-Q488 VanDerWaalsContact O-CG 3.27Å; A484-Q488 WeakPolarHBondContact O-CG 3.1Å; A484-Q488 PolarHBondContact O-N 3.26Å
485A40Very low33.7Very low55 Ų55119.3 Ų119.346%0.45559%0.588SS.*Hα-helixtrans-69.7-41.9174.500000111.4E481 Q488 S489E481-A485 VanDerWaalsContact O-CB 3.22Å; E481-A485 WeakPolarHBondContact O-CB 3.4Å; E481-A485 PolarHBondContact O-N 3.08Å; A485-Q488 PolarHBondContact O-N 2.95Å; A485-S489 PolarHBondContact O-N 3.24Å; A485-S489 PolarHBondContact O-OG 3.37Å
486K34.3Very low33.7Very low141 Ų141116.7 Ų116.761%0.61358%0.575SS**Hα-helixtrans-67.4-41.9176.8-151.8176.2-170.9-176.60111.4Q482 K483 S489 E490Q482-K486 WeakPolarHBondContact O-CB 3.42Å; Q482-K486 PolarHBondContact O-N 3.05Å; K483-K486 PolarHBondContact O-N 3.2Å; K486-S489 WeakPolarHBondContact CA-OG 3.4Å; K486-S489 PolarHBondContact O-N 3.49Å; K486-S489 PolarHBondContact O-OG 3Å; K486-E490 PolarHBondContact O-N 3.02Å
487E36.2Very low33.6Very low123 Ų123113.6 Ų113.658%0.57556%0.564SS**Hα-helixtrans-60.8-43.5169.7-82.8-179.1166.700111.3K483 S489 E490 I491K483-E487 VanDerWaalsContact O-CB 3.28Å; K483-E487 WeakPolarHBondContact O-CB 3.4Å; K483-E487 WeakPolarHBondContact O-CG 3.3Å; K483-E487 PolarHBondContact O-N 3.38Å; E487-S489 PolarHBondContact O-N 2.95Å; E487-E490 PolarHBondContact O-N 3.08Å; E487-I491 HydrophobicContact CB-CD1 4.42Å; E487-I491 VanDerWaalsContact O-CB 3.24Å; E487-I491 WeakPolarHBondContact O-CB 3.45Å; E487-I491 VanDerWaalsContact O-CD1 3.26Å; E487-I491 WeakPolarHBondContact O-CD1 3.18Å; E487-I491 WeakPolarHBondContact O-CG1 3.18Å; E487-I491 PolarHBondContact O-N 3.49Å
488Q34.9Very low33.6Very low129 Ų129108.4 Ų108.460%0.60355%0.549SS*.Hα-helixtrans-65.1-36.5176.8-84.1178.5-4.200113.1A484 A485 R492A484-Q488 VanDerWaalsContact O-CB 3.26Å; A484-Q488 WeakPolarHBondContact O-CB 3.29Å; A484-Q488 VanDerWaalsContact O-CG 3.27Å; A484-Q488 WeakPolarHBondContact O-CG 3.1Å; A484-Q488 PolarHBondContact O-N 3.26Å; A485-Q488 PolarHBondContact O-N 2.95Å; Q488-R492 PolarHBondContact O-N 2.94Å
489S32.5Very low33.6Very low64 Ų64111.7 Ų111.745%0.44855%0.552SS.*Hα-helixtrans-69.5-42.8174.360.90000111.9A485 K486 E487 I491 R492 V493A485-S489 PolarHBondContact O-N 3.24Å; A485-S489 PolarHBondContact O-OG 3.37Å; K486-S489 WeakPolarHBondContact CA-OG 3.4Å; K486-S489 PolarHBondContact O-N 3.49Å; K486-S489 PolarHBondContact O-OG 3Å; E487-S489 PolarHBondContact O-N 2.95Å; S489-I491 VanDerWaalsContact C-N 3.32Å; S489-I491 PolarHBondContact O-N 2.68Å; S489-R492 PolarHBondContact O-N 3.45Å; S489-V493 WeakPolarHBondContact O-CG2 3.29Å; S489-V493 PolarHBondContact O-N 3.5Å
490E32.1Very low33.3Very low92 Ų92106.2 Ų106.243%0.4354%0.543SS..Hα-helixtrans-66.4-35.8175.4-76.8-176-167.100111.4K486 E487 R494K486-E490 PolarHBondContact O-N 3.02Å; E487-E490 PolarHBondContact O-N 3.08Å; E490-R494 WeakPolarHBondContact O-CB 3.18Å; E490-R494 VanDerWaalsContact O-CG 3.28Å; E490-R494 WeakPolarHBondContact O-CG 3.02Å; E490-R494 PolarHBondContact O-N 3.43Å; E490-R494 IonicContact OE2-NH2 3.19Å
491I34Very low33.2Very low91 Ų91101.4 Ų101.447%0.46753%0.532SS..Hα-helixtrans-66.6-42.5173.1-69.2161.3000110.5E487 S489 R494 V495E487-I491 HydrophobicContact CB-CD1 4.42Å; E487-I491 VanDerWaalsContact O-CB 3.24Å; E487-I491 WeakPolarHBondContact O-CB 3.45Å; E487-I491 VanDerWaalsContact O-CD1 3.26Å; E487-I491 WeakPolarHBondContact O-CD1 3.18Å; E487-I491 WeakPolarHBondContact O-CG1 3.18Å; E487-I491 PolarHBondContact O-N 3.49Å; S489-I491 VanDerWaalsContact C-N 3.32Å; S489-I491 PolarHBondContact O-N 2.68Å; I491-R494 PolarHBondContact O-N 2.89Å; I491-V495 HydrophobicContact CG2-CG2 4.09Å; I491-V495 WeakPolarHBondContact O-CB 3.3Å; I491-V495 WeakPolarHBondContact O-CG2 3.2Å; I491-V495 PolarHBondContact O-N 3.39Å
492R29.6Very low32.9Very low198 Ų19898.9 Ų98.975%0.74753%0.526SS*.Hα-helixtrans-63.3-44175.9-87.3-170.8-161.8-171.25.7112.2Q488 S489 R494 V495 S496Q488-R492 PolarHBondContact O-N 2.94Å; S489-R492 PolarHBondContact O-N 3.45Å; R492-R494 VanDerWaalsContact C-N 3.3Å; R492-R494 PolarHBondContact O-N 3.45Å; R492-V495 PolarHBondContact O-N 2.89Å; R492-S496 PolarHBondContact O-N 2.89Å; R492-S496 PolarHBondContact O-OG 3.43Å
493V31.2Very low32.7Very low99 Ų9999 Ų9960%0.653%0.526SS*.Hα-helixtrans-64.9-36.7177.31760000110.9S489 S496 S497S489-V493 WeakPolarHBondContact O-CG2 3.29Å; S489-V493 PolarHBondContact O-N 3.5Å; V493-S496 WeakPolarHBondContact CA-OG 3.16Å; V493-S496 PolarHBondContact O-OG 3.23Å; V493-S497 WeakPolarHBondContact O-CB 3.29Å; V493-S497 PolarHBondContact O-N 3.42Å; V493-S497 VanDerWaalsContact O-N 3.1Å; V493-S497 PolarHBondContact O-OG 3.25Å
494R30.1Very low32.3Very low162 Ų16298 Ų9861%0.61153%0.527SS*.Hα-helixtrans-70.8-39.5174-75.9-178.3-174.4142.810.3112.7E490 I491 R492 S497 A498E490-R494 WeakPolarHBondContact O-CB 3.18Å; E490-R494 VanDerWaalsContact O-CG 3.28Å; E490-R494 WeakPolarHBondContact O-CG 3.02Å; E490-R494 PolarHBondContact O-N 3.43Å; E490-R494 IonicContact OE2-NH2 3.19Å; I491-R494 PolarHBondContact O-N 2.89Å; R492-R494 VanDerWaalsContact C-N 3.3Å; R492-R494 PolarHBondContact O-N 3.45Å; R494-S497 WeakPolarHBondContact CA-OG 3.49Å; R494-S497 CarbonylContact O-C 3.57Å; R494-S497 PolarHBondContact O-N 3.47Å; R494-S497 PolarHBondContact O-OG 3.43Å; R494-A498 WeakPolarHBondContact O-CB 3.25Å; R494-A498 PolarHBondContact O-N 3.35Å
495V37.8Very low31.9Very low68 Ų68103.6 Ų103.641%0.41255%0.545SS..Hα-helixtrans-66.3-41.1176.2170.60000110.9I491 R492 S497 A498 E499I491-V495 HydrophobicContact CG2-CG2 4.09Å; I491-V495 WeakPolarHBondContact O-CB 3.3Å; I491-V495 WeakPolarHBondContact O-CG2 3.2Å; I491-V495 PolarHBondContact O-N 3.39Å; R492-V495 PolarHBondContact O-N 2.89Å; V495-S497 VanDerWaalsContact C-N 3.3Å; V495-S497 PolarHBondContact O-N 3.38Å; V495-A498 PolarHBondContact O-N 3.42Å; V495-E499 HydrophobicContact CG1-CG 4.33Å; V495-E499 WeakPolarHBondContact O-CB 3.14Å; V495-E499 WeakPolarHBondContact O-CG 3.5Å; V495-E499 PolarHBondContact O-N 3.22Å
496S31.1Very low31.5Very low61 Ų61108.8 Ų108.843%0.42756%0.56SS.*Hα-helixtrans-64.5-35.5173.256.80000112.2R492 V493 S500R492-S496 PolarHBondContact O-N 2.89Å; R492-S496 PolarHBondContact O-OG 3.43Å; V493-S496 WeakPolarHBondContact CA-OG 3.16Å; V493-S496 PolarHBondContact O-OG 3.23Å; S496-S500 WeakPolarHBondContact O-CB 3.39Å; S496-S500 PolarHBondContact O-N 3.34Å; S496-S500 PolarHBondContact O-OG 2.96Å
497S29.1Very low31.2Very low72 Ų72108 Ų10850%0.50356%0.562SS.*Hα-helixtrans-72.2-31.1174.173.70000113V493 R494 V495 S500 A501V493-S497 WeakPolarHBondContact O-CB 3.29Å; V493-S497 PolarHBondContact O-N 3.42Å; V493-S497 VanDerWaalsContact O-N 3.1Å; V493-S497 PolarHBondContact O-OG 3.25Å; R494-S497 WeakPolarHBondContact CA-OG 3.49Å; R494-S497 CarbonylContact O-C 3.57Å; R494-S497 PolarHBondContact O-N 3.47Å; R494-S497 PolarHBondContact O-OG 3.43Å; V495-S497 VanDerWaalsContact C-N 3.3Å; V495-S497 PolarHBondContact O-N 3.38Å; S497-S500 WeakPolarHBondContact O-CB 3.22Å; S497-A501 PolarHBondContact O-N 3.45Å
498A33.7Very low31.1Very low51 Ų51107.8 Ų107.842%0.42157%0.571SS.*Hα-helixtrans-76.8-37.2176.300000111.6R494 V495 S500 A501 T502R494-A498 WeakPolarHBondContact O-CB 3.25Å; R494-A498 PolarHBondContact O-N 3.35Å; V495-A498 PolarHBondContact O-N 3.42Å; A498-S500 VanDerWaalsContact C-N 3.29Å; A498-S500 PolarHBondContact O-N 2.99Å; A498-A501 CarbonylContact O-C 3.55Å; A498-A501 WeakPolarHBondContact O-CA 3.48Å; A498-A501 WeakPolarHBondContact O-CB 3.27Å; A498-A501 PolarHBondContact O-N 3.46Å; A498-T502 WeakPolarHBondContact O-CG2 3.42Å; A498-T502 PolarHBondContact O-N 3.14Å; A498-T502 PolarHBondContact O-OG1 3.36Å
499E31.2Very low31.2Very low114 Ų114105.7 Ų105.753%0.53356%0.564SS.*Hα-helixtrans-62.5-40.2170.5-75.9173.9176.300110.2V495 A501 T502 H503V495-E499 HydrophobicContact CG1-CG 4.33Å; V495-E499 WeakPolarHBondContact O-CB 3.14Å; V495-E499 WeakPolarHBondContact O-CG 3.5Å; V495-E499 PolarHBondContact O-N 3.22Å; E499-A501 VanDerWaalsContact C-N 3.28Å; E499-A501 PolarHBondContact O-N 3.23Å; E499-T502 VanDerWaalsContact CA-OG1 3.3Å; E499-T502 WeakPolarHBondContact CA-OG1 3.35Å; E499-T502 PolarHBondContact O-N 3.09Å; E499-T502 PolarHBondContact O-OG1 3.46Å; E499-H503 PolarHBondContact O-CD2 3.32Å; E499-H503 PolarHBondContact O-N 3Å
500S26.4Very low31.5Very low79 Ų79107.1 Ų107.155%0.55257%0.572SS**Hα-helixtrans-61.2-34.9170.6-52.80000112.5S496 S497 A498S496-S500 WeakPolarHBondContact O-CB 3.39Å; S496-S500 PolarHBondContact O-N 3.34Å; S496-S500 PolarHBondContact O-OG 2.96Å; S497-S500 WeakPolarHBondContact O-CB 3.22Å; A498-S500 VanDerWaalsContact C-N 3.29Å; A498-S500 PolarHBondContact O-N 2.99Å
501A30.1Very low32.3Very low50 Ų50108.4 Ų108.441%0.41358%0.582SS.*Hα-helixtrans-76.7-30.7175.200000113.3S497 A498 E499 H503 L504 H505S497-A501 PolarHBondContact O-N 3.45Å; A498-A501 CarbonylContact O-C 3.55Å; A498-A501 WeakPolarHBondContact O-CA 3.48Å; A498-A501 WeakPolarHBondContact O-CB 3.27Å; A498-A501 PolarHBondContact O-N 3.46Å; E499-A501 VanDerWaalsContact C-N 3.28Å; E499-A501 PolarHBondContact O-N 3.23Å; A501-H503 VanDerWaalsContact C-N 3.29Å; A501-H503 PolarHBondContact O-N 3.47Å; A501-L504 WeakPolarHBondContact O-CB 3.42Å; A501-L504 PolarHBondContact O-N 3.33Å; A501-H505 PolarHBondContact O-N 2.88Å
502T31.4Very low32.7Very low89 Ų89108.2 Ų108.255%0.54659%0.587SS.*Hα-helixtrans-68.9-28174.853.90000112.5A498 E499 L504 H505A498-T502 WeakPolarHBondContact O-CG2 3.42Å; A498-T502 PolarHBondContact O-N 3.14Å; A498-T502 PolarHBondContact O-OG1 3.36Å; E499-T502 VanDerWaalsContact CA-OG1 3.3Å; E499-T502 WeakPolarHBondContact CA-OG1 3.35Å; E499-T502 PolarHBondContact O-N 3.09Å; E499-T502 PolarHBondContact O-OG1 3.46Å; T502-L504 PolarHBondContact O-N 3.35Å; T502-H505 PolarHBondContact O-N 3.42Å
503H28Very low33.3Very low151 Ų151102.6 Ų102.670%0.69957%0.572SS**THydrogen-bonded Turntrans-67.6-22.9168.9-83.4-78.9000112.9E499 A501E499-H503 PolarHBondContact O-CD2 3.32Å; E499-H503 PolarHBondContact O-N 3Å; A501-H503 VanDerWaalsContact C-N 3.29Å; A501-H503 PolarHBondContact O-N 3.47Å
504L25.8Very low34.1Very low125 Ų125102.1 Ų102.165%0.65457%0.566SS**G310 helixtrans-84.1-19.1177.7-112111.4000114.4A501 T502 Q506A501-L504 WeakPolarHBondContact O-CB 3.42Å; A501-L504 PolarHBondContact O-N 3.33Å; T502-L504 PolarHBondContact O-N 3.35Å; L504-Q506 PolarHBondContact O-N 2.62Å
505H31.2Very low34.7Very low161 Ų161102.2 Ų102.275%0.74557%0.566SS**G310 helixtrans-80.32.9178.6-92.2-66.5000114.6A501 T502A501-H505 PolarHBondContact O-N 2.88Å; T502-H505 PolarHBondContact O-N 3.42Å
506Q29.9Very low34.7Very low164 Ų164105.1 Ų105.177%0.76658%0.577SS**G310 helixtrans-966.6172.9-73.7-171.5-1200114.4L504 P508L504-Q506 PolarHBondContact O-N 2.62Å; Q506-P508 VanDerWaalsContact O-CD 3.32Å; Q506-P508 WeakPolarHBondContact O-CD 3.34Å
507L29.3Very low35.3Very low124 Ų124106.7 Ų106.765%0.64958%0.58SS**SBendtrans-70.7118.5164.7-81.7159.8000108.8L509L507-L509 PolarHBondContact O-N 2.67Å
508P34.3Very low36Very low119 Ų119104.9 Ų104.977%0.77357%0.569SS**  trans-63107.3-179.825.2-31.6000109Q506Q506-P508 VanDerWaalsContact O-CD 3.32Å; Q506-P508 WeakPolarHBondContact O-CD 3.34Å
509L36.5Very low36.3Very low85 Ų85109 Ų10945%0.44558%0.578SS.*  trans-69.7130.1174.6-79.7125.3000109.2L507 L513L507-L509 PolarHBondContact O-N 2.67Å; L509-L513 HydrophobicContact CD2-CD2 3.52Å
510P38.2Very low36.3Very low95 Ų95114 Ų11462%0.61759%0.592SS**  trans-61.8142.5-174.720.4-30.2000112.6C512 L513 N514P510-C512 PolarHBondContact O-N 3.38Å; P510-L513 PolarHBondContact O-N 2.71Å; P510-N514 PolarHBondContact O-N 2.73Å
511D48.6Very low37.4Very low118 Ų118115.3 Ų115.363%0.63159%0.589SS**Hα-helixtrans-53-26-168.6-69.3-31.4000115.7R515D511-R515 PolarHBondContact O-N 3.34Å; D511-R515 VanDerWaalsContact O-N 3.09Å; D511-R515 PolarHBondContact O-NE 2.72Å
512C43Very low38.1Very low87 Ų87116.2 Ų116.259%0.58859%0.591SS**Hα-helixtrans-68.6-40.1177.8-146.40000111.3P510 R515 M516P510-C512 PolarHBondContact O-N 3.38Å; C512-R515 PolarHBondContact O-N 3.12Å; C512-M516 WeakPolarHBondContact O-CG 3.27Å; C512-M516 PolarHBondContact O-N 3.15Å
513L43.3Very low39.3Very low80 Ų80116.1 Ų116.142%0.41958%0.58SS.*Hα-helixtrans-72.3-36.6178.3-153.784.6000111.3L509 P510 R515 M516 L517L509-L513 HydrophobicContact CD2-CD2 3.52Å; P510-L513 PolarHBondContact O-N 2.71Å; L513-R515 VanDerWaalsContact C-N 3.33Å; L513-R515 PolarHBondContact O-N 3.08Å; L513-M516 PolarHBondContact O-N 2.96Å; L513-L517 HydrophobicContact CD2-CD1 4.15Å; L513-L517 HydrophobicContact CG-CD1 4.23Å; L513-L517 WeakPolarHBondContact O-CB 3.23Å; L513-L517 VanDerWaalsContact O-CG 3.32Å; L513-L517 WeakPolarHBondContact O-CG 3.44Å; L513-L517 PolarHBondContact O-N 2.85Å
514N47.4Very low40.6Very low89 Ų89114.2 Ų114.248%0.47657%0.568SS.*Hα-helixtrans-61.8-40.1172.8-100.7-14.5000112P510 A518P510-N514 PolarHBondContact O-N 2.73Å; N514-A518 WeakPolarHBondContact O-CB 3.48Å; N514-A518 PolarHBondContact O-N 3.06Å
515R42.7Very low41.8Very low165 Ų165114.9 Ų114.962%0.62357%0.566SS**Hα-helixtrans-66.8-41173.5-80.8-177.5-80.3-161.5-3.4112.5D511 C512 L513 A518 F519D511-R515 PolarHBondContact O-N 3.34Å; D511-R515 VanDerWaalsContact O-N 3.09Å; D511-R515 PolarHBondContact O-NE 2.72Å; C512-R515 PolarHBondContact O-N 3.12Å; L513-R515 VanDerWaalsContact C-N 3.33Å; L513-R515 PolarHBondContact O-N 3.08Å; R515-A518 PolarHBondContact O-N 3.02Å; R515-F519 PolarHBondContact O-N 2.72Å
516M38.4Very low42.8Very low128 Ų128108.8 Ų108.863%0.63154%0.538SS*.Hα-helixtrans-66.2-39.6175.5-74.4-172.968.600112.8C512 L513 F519 R520C512-M516 WeakPolarHBondContact O-CG 3.27Å; C512-M516 PolarHBondContact O-N 3.15Å; L513-M516 PolarHBondContact O-N 2.96Å; M516-F519 PolarHBondContact O-N 3.48Å; M516-R520 PolarHBondContact O-N 3.43Å
517L42.3Very low44.3Very low94 Ų94106.2 Ų106.249%0.49252%0.524SS..Hα-helixtrans-68.5-35.2175.7-75.9164.8000111.8L513 R520L513-L517 HydrophobicContact CD2-CD1 4.15Å; L513-L517 HydrophobicContact CG-CD1 4.23Å; L513-L517 WeakPolarHBondContact O-CB 3.23Å; L513-L517 VanDerWaalsContact O-CG 3.32Å; L513-L517 WeakPolarHBondContact O-CG 3.44Å; L513-L517 PolarHBondContact O-N 2.85Å; L517-R520 PolarHBondContact O-N 3.48Å
518A44.4Very low46.1Very low34 Ų34104.2 Ų104.228%0.28151%0.513SS..Hα-helixtrans-63.4-40.4171.500000112N514 R515 R520 Q521 Y524N514-A518 WeakPolarHBondContact O-CB 3.48Å; N514-A518 PolarHBondContact O-N 3.06Å; R515-A518 PolarHBondContact O-N 3.02Å; A518-R520 VanDerWaalsContact C-N 3.33Å; A518-R520 PolarHBondContact O-N 3.37Å; A518-Q521 PolarHBondContact O-N 2.95Å; A518-Y524 WeakPolarHBondContact O-CD2 3.47Å
519F39Very low47.3Very low137 Ų137102 Ų10260%0.60149%0.491SS*.Hα-helixtrans-65.9-30.7178.3-112-87.1000113.8R515 M516 Q521R515-F519 PolarHBondContact O-N 2.72Å; M516-F519 PolarHBondContact O-N 3.48Å; F519-Q521 VanDerWaalsContact C-N 3.27Å; F519-Q521 PolarHBondContact O-N 2.87Å
520R31.6Very low48.3Very low221 Ų221100.6 Ų100.683%0.83448%0.483SS*.THydrogen-bonded Turntrans-75.1-10.5176.2-101.1-171.2-172.5-176.94.2114.2M516 L517 A518M516-R520 PolarHBondContact O-N 3.43Å; L517-R520 PolarHBondContact O-N 3.48Å; A518-R520 VanDerWaalsContact C-N 3.33Å; A518-R520 PolarHBondContact O-N 3.37Å
521Q50.4Low49.7Very low106 Ų106101.1 Ų101.150%0.49548%0.484SS..SBendtrans-68.4127.8177.5-68.1-171.1-4.300109.4A518 F519 R523 Y524A518-Q521 PolarHBondContact O-N 2.95Å; F519-Q521 VanDerWaalsContact C-N 3.27Å; F519-Q521 PolarHBondContact O-N 2.87Å; Q521-R523 PolarHBondContact O-N 3.41Å; Q521-Y524 PolarHBondContact O-N 3.34Å
522P44.9Very low50.7Low68 Ų6899.8 Ų99.844%0.44248%0.481SS..Hα-helixtrans-56.2-23.5-179.323.2-35000113.1Y524 Q526P522-Y524 VanDerWaalsContact C-N 3.28Å; P522-Y524 PolarHBondContact O-N 2.95Å; P522-Q526 WeakPolarHBondContact O-CG 3.42Å; P522-Q526 PolarHBondContact O-N 2.82Å; P522-Q526 PolarHBondContact O-OE1 3.14Å
523R57.1Low51.4Low87 Ų8796.9 Ų96.933%0.32846%0.46SS..Hα-helixtrans-60.2-30.8173.1-67.7-177.1176.1166.5-0.1113.3E367 Q521 K527E367-R523 IonicContact OE1-CZ 2.71Å; E367-R523 IonicContact OE1-NH2 3.21Å; E367-R523 PolarHBondContact OE1-NH2 3.47Å; Q521-R523 PolarHBondContact O-N 3.41Å; R523-K527 WeakPolarHBondContact O-CB 3.49Å; R523-K527 WeakPolarHBondContact O-CD 3.13Å; R523-K527 WeakPolarHBondContact O-CG 3.33Å; R523-K527 PolarHBondContact O-N 3.16Å
524Y54.3Low52.4Low111 Ų11195.4 Ų95.444%0.43546%0.459SS..Hα-helixtrans-75.8-45.3-178-116.7-81.8000112.4A518 Q521 P522 Q526 K527 I528A518-Y524 WeakPolarHBondContact O-CD2 3.47Å; Q521-Y524 PolarHBondContact O-N 3.34Å; P522-Y524 VanDerWaalsContact C-N 3.28Å; P522-Y524 PolarHBondContact O-N 2.95Å; Y524-Q526 VanDerWaalsContact C-N 3.32Å; Y524-Q526 PolarHBondContact O-N 3.14Å; Y524-K527 PolarHBondContact O-N 3.42Å; Y524-I528 WeakPolarHBondContact O-CG1 3.18Å; Y524-I528 PolarHBondContact O-N 3.02Å
525F50.1Low53.3Low139 Ų13993 Ų9361%0.6146%0.456SS*.Hα-helixtrans-62-41.8174.6-179.3-94.7000111.3I528 F529F525-I528 PolarHBondContact O-N 3.21Å; F525-F529 WeakPolarHBondContact O-CB 3.17Å; F525-F529 PolarHBondContact O-N 3.11Å
526Q52.2Low54.6Low34 Ų3491 Ų9116%0.15945%0.448CS..Hα-helixtrans-61-43.7174.2-74.7175.5-44.400111.7P522 Y524 F529 M530P522-Q526 WeakPolarHBondContact O-CG 3.42Å; P522-Q526 PolarHBondContact O-N 2.82Å; P522-Q526 PolarHBondContact O-OE1 3.14Å; Y524-Q526 VanDerWaalsContact C-N 3.32Å; Y524-Q526 PolarHBondContact O-N 3.14Å; Q526-F529 CarbonylContact O-C 3.55Å; Q526-F529 WeakPolarHBondContact O-CB 3.31Å; Q526-F529 PolarHBondContact O-N 3.33Å; Q526-M530 VanDerWaalsContact O-CG 3.29Å; Q526-M530 WeakPolarHBondContact O-CG 3.29Å; Q526-M530 PolarHBondContact O-N 2.8Å
527K62.9Low55.6Low109 Ų10986.4 Ų86.447%0.47443%0.426SS..Hα-helixtrans-65.8-36.5176-75171.8-176.6-167.50113.5R523 Y524 M530 V531R523-K527 WeakPolarHBondContact O-CB 3.49Å; R523-K527 WeakPolarHBondContact O-CD 3.13Å; R523-K527 WeakPolarHBondContact O-CG 3.33Å; R523-K527 PolarHBondContact O-N 3.16Å; Y524-K527 PolarHBondContact O-N 3.42Å; K527-M530 WeakPolarHBondContact O-CB 3.46Å; K527-M530 PolarHBondContact O-N 2.86Å; K527-V531 WeakPolarHBondContact O-CG2 3.23Å; K527-V531 PolarHBondContact O-N 2.93Å
528I65.9Low56.6Low82 Ų8286.1 Ų86.142%0.42143%0.428SS..Hα-helixtrans-65.9-44.8172.4-68.4167000109.6Y524 F525 M530 V531 V532Y524-I528 WeakPolarHBondContact O-CG1 3.18Å; Y524-I528 PolarHBondContact O-N 3.02Å; F525-I528 PolarHBondContact O-N 3.21Å; I528-M530 VanDerWaalsContact C-N 3.28Å; I528-M530 PolarHBondContact O-N 3.42Å; I528-V531 PolarHBondContact O-N 3.32Å; I528-V531 VanDerWaalsContact O-N 3.11Å; I528-V532 HydrophobicContact CG2-CG2 4.34Å; I528-V532 VanDerWaalsContact O-CG2 3.3Å; I528-V532 WeakPolarHBondContact O-CG2 3.5Å; I528-V532 PolarHBondContact O-N 2.88Å
529F60.7Low57.7Low73 Ų7392.2 Ų92.232%0.3244%0.444SS..Hα-helixtrans-58.6-39.8172.8-177.5-99.6000111.5Y277 F525 Q526 V532 V533Y277-F529 HydrophobicContact CE1-CE1 4.06Å; Y277-F529 HydrophobicContact CE1-CZ 4.44Å; F525-F529 WeakPolarHBondContact O-CB 3.17Å; F525-F529 PolarHBondContact O-N 3.11Å; Q526-F529 CarbonylContact O-C 3.55Å; Q526-F529 WeakPolarHBondContact O-CB 3.31Å; Q526-F529 PolarHBondContact O-N 3.33Å; F529-V532 PolarHBondContact O-N 3.3Å; F529-V533 HydrophobicContact CD1-CG2 4.03Å; F529-V533 HydrophobicContact CD2-CG2 4.43Å; F529-V533 HydrophobicContact CE1-CG2 3.66Å; F529-V533 HydrophobicContact CE2-CG2 4.09Å; F529-V533 HydrophobicContact CG-CG2 4.41Å; F529-V533 HydrophobicContact CZ-CG2 3.68Å; F529-V533 WeakPolarHBondContact O-CB 3.38Å; F529-V533 VanDerWaalsContact O-CG2 3.28Å; F529-V533 WeakPolarHBondContact O-CG2 3.34Å; F529-V533 PolarHBondContact O-N 2.83Å
530M57.1Low58.7Low55 Ų5589.2 Ų89.227%0.27143%0.43SS..Hα-helixtrans-61.8-42.7172.5-70-176.977.900112.3V334 Q526 K527 I528 V532 V533 A534V334-M530 HydrophobicContact CG1-CB 4.43Å; V334-M530 HydrophobicContact CG1-CE 3.38Å; V334-M530 HydrophobicContact CG1-CG 3.52Å; V334-M530 HydrophobicContact CG1-SD 3.99Å; Q526-M530 VanDerWaalsContact O-CG 3.29Å; Q526-M530 WeakPolarHBondContact O-CG 3.29Å; Q526-M530 PolarHBondContact O-N 2.8Å; K527-M530 WeakPolarHBondContact O-CB 3.46Å; K527-M530 PolarHBondContact O-N 2.86Å; I528-M530 VanDerWaalsContact C-N 3.28Å; I528-M530 PolarHBondContact O-N 3.42Å; M530-V532 VanDerWaalsContact C-N 3.34Å; M530-V533 PolarHBondContact O-N 3.32Å; M530-A534 WeakPolarHBondContact O-CB 3.44Å; M530-A534 PolarHBondContact O-N 3.39Å
531V67.7Low59.9Low106 Ų10680.4 Ų80.464%0.64241%0.405SS*.Hα-helixtrans-67.1-37.7176.6171.70000110.8K527 I528 G535K527-V531 WeakPolarHBondContact O-CG2 3.23Å; K527-V531 PolarHBondContact O-N 2.93Å; I528-V531 PolarHBondContact O-N 3.32Å; I528-V531 VanDerWaalsContact O-N 3.11Å; V531-G535 WeakPolarHBondContact O-CA 3.23Å; V531-G535 PolarHBondContact O-N 3.31Å
532V68.5Low60.5Low91 Ų9179 Ų7955%0.55240%0.404SS*.Hα-helixtrans-67.2-44.3175.4171.50000110.8I528 F529 M530 G535 W536I528-V532 HydrophobicContact CG2-CG2 4.34Å; I528-V532 VanDerWaalsContact O-CG2 3.3Å; I528-V532 WeakPolarHBondContact O-CG2 3.5Å; I528-V532 PolarHBondContact O-N 2.88Å; F529-V532 PolarHBondContact O-N 3.3Å; M530-V532 VanDerWaalsContact C-N 3.34Å; V532-G535 CarbonylContact O-C 3.15Å; V532-G535 PolarHBondContact O-N 2.91Å; V532-W536 VanDerWaalsContact O-CB 3.29Å; V532-W536 WeakPolarHBondContact O-CB 3.43Å; V532-W536 PolarHBondContact O-N 2.94Å
533V59.6Low61.2Low26 Ų2676.5 Ų76.516%0.15839%0.39CS..Hα-helixtrans-69.4-42177.1171.60000111V334 F529 M530 G535 W536 I537V334-V533 HydrophobicContact CG2-CG1 4.47Å; F529-V533 HydrophobicContact CD1-CG2 4.03Å; F529-V533 HydrophobicContact CD2-CG2 4.43Å; F529-V533 HydrophobicContact CE1-CG2 3.66Å; F529-V533 HydrophobicContact CE2-CG2 4.09Å; F529-V533 HydrophobicContact CG-CG2 4.41Å; F529-V533 HydrophobicContact CZ-CG2 3.68Å; F529-V533 WeakPolarHBondContact O-CB 3.38Å; F529-V533 VanDerWaalsContact O-CG2 3.28Å; F529-V533 WeakPolarHBondContact O-CG2 3.34Å; F529-V533 PolarHBondContact O-N 2.83Å; M530-V533 PolarHBondContact O-N 3.32Å; V533-G535 VanDerWaalsContact C-N 3.32Å; V533-W536 CarbonylContact O-C 3.41Å; V533-W536 WeakPolarHBondContact O-CB 3.14Å; V533-W536 PolarHBondContact O-N 2.85Å; V533-I537 HydrophobicContact CG1-CD1 3.81Å; V533-I537 HydrophobicContact CG1-CG1 4.35Å; V533-I537 WeakPolarHBondContact O-CB 3.21Å; V533-I537 WeakPolarHBondContact O-CG1 3.12Å; V533-I537 PolarHBondContact O-N 3.18Å
534A62.4Low61.3Low49 Ų4974.9 Ų74.941%0.40539%0.388SS..Hα-helixtrans-63.1-40.6173.200000110.9M530 W536 I537 V538M530-A534 WeakPolarHBondContact O-CB 3.44Å; M530-A534 PolarHBondContact O-N 3.39Å; A534-W536 VanDerWaalsContact C-N 3.35Å; A534-I537 PolarHBondContact O-N 3.38Å; A534-V538 WeakPolarHBondContact O-CB 3.35Å; A534-V538 VanDerWaalsContact O-CG2 3.24Å; A534-V538 WeakPolarHBondContact O-CG2 3.41Å; A534-V538 PolarHBondContact O-N 3.01Å
535G67.6Low61.3Low39 Ų3975.8 Ų75.840%0.40240%0.396SS..Hα-helixtrans-62.9-39.8171.800000112.2V531 V532 V533 V538 W539V531-G535 WeakPolarHBondContact O-CA 3.23Å; V531-G535 PolarHBondContact O-N 3.31Å; V532-G535 CarbonylContact O-C 3.15Å; V532-G535 PolarHBondContact O-N 2.91Å; V533-G535 VanDerWaalsContact C-N 3.32Å; G535-V538 PolarHBondContact O-N 3.5Å; G535-W539 WeakPolarHBondContact O-CB 3.36Å; G535-W539 PolarHBondContact O-N 3.36Å
536W69Low61.6Low123 Ų12375.4 Ų75.447%0.46640%0.396SS..Hα-helixtrans-67.9-36.2174.9-167.965000112V532 V533 A534 W539 F540V532-W536 VanDerWaalsContact O-CB 3.29Å; V532-W536 WeakPolarHBondContact O-CB 3.43Å; V532-W536 PolarHBondContact O-N 2.94Å; V533-W536 CarbonylContact O-C 3.41Å; V533-W536 WeakPolarHBondContact O-CB 3.14Å; V533-W536 PolarHBondContact O-N 2.85Å; A534-W536 VanDerWaalsContact C-N 3.35Å; W536-W539 CarbonylContact O-C 3.49Å; W536-W539 PolarHBondContact O-N 3.45Å; W536-F540 VanDerWaalsContact O-CB 3.26Å; W536-F540 WeakPolarHBondContact O-CB 3.33Å; W536-F540 PolarHBondContact O-N 2.94Å
537I59.7Low61.7Low31 Ų3181.3 Ų81.316%0.15942%0.417CS..Hα-helixtrans-70.1-44.1174.4-75.2167.5000111L327 Y330 V533 A534 W539 F540 A541L327-I537 HydrophobicContact CD1-CG2 3.14Å; L327-I537 HydrophobicContact CG-CG2 4.33Å; Y330-I537 HydrophobicContact CD2-CD1 4.5Å; Y330-I537 HydrophobicContact CG-CD1 4.2Å; V533-I537 HydrophobicContact CG1-CD1 3.81Å; V533-I537 HydrophobicContact CG1-CG1 4.35Å; V533-I537 WeakPolarHBondContact O-CB 3.21Å; V533-I537 WeakPolarHBondContact O-CG1 3.12Å; V533-I537 PolarHBondContact O-N 3.18Å; A534-I537 PolarHBondContact O-N 3.38Å; I537-W539 VanDerWaalsContact C-N 3.3Å; I537-F540 PolarHBondContact O-N 3.04Å; I537-A541 VanDerWaalsContact O-CB 3.23Å; I537-A541 WeakPolarHBondContact O-CB 3.49Å; I537-A541 PolarHBondContact O-N 3.01Å
538V63.7Low61.3Low88 Ų8879 Ų7953%0.53341%0.412SS..Hα-helixtrans-64.4-41174169.90000109.3A534 G535 F540 A541 V542A534-V538 WeakPolarHBondContact O-CB 3.35Å; A534-V538 VanDerWaalsContact O-CG2 3.24Å; A534-V538 WeakPolarHBondContact O-CG2 3.41Å; A534-V538 PolarHBondContact O-N 3.01Å; G535-V538 PolarHBondContact O-N 3.5Å; V538-F540 VanDerWaalsContact C-N 3.34Å; V538-F540 PolarHBondContact O-N 3.12Å; V538-A541 PolarHBondContact O-N 3.44Å; V538-V542 HydrophobicContact CG1-CG2 4.08Å; V538-V542 WeakPolarHBondContact O-CA 3.27Å; V538-V542 WeakPolarHBondContact O-CB 3.34Å; V538-V542 WeakPolarHBondContact O-CG2 3.34Å; V538-V542 PolarHBondContact O-N 2.94Å
539W67Low60.5Low162 Ų16278.9 Ų78.961%0.61441%0.412SS*.Iπ-helixtrans-66.7-32.2172.9-177.581.5000112.6G535 W536 I537 G543 I544G535-W539 WeakPolarHBondContact O-CB 3.36Å; G535-W539 PolarHBondContact O-N 3.36Å; W536-W539 CarbonylContact O-C 3.49Å; W536-W539 PolarHBondContact O-N 3.45Å; I537-W539 VanDerWaalsContact C-N 3.3Å; W539-G543 CarbonylContact O-C 3.47Å; W539-G543 WeakPolarHBondContact O-CA 3.03Å; W539-G543 PolarHBondContact O-N 2.94Å; W539-I544 PolarHBondContact O-N 3.43Å
540F60.1Low60Low73 Ų7379 Ų7932%0.3242%0.422SS..Iπ-helixtrans-71.5-51.5172.7-167.1-82000110.1W536 I537 V538 I544W536-F540 VanDerWaalsContact O-CB 3.26Å; W536-F540 WeakPolarHBondContact O-CB 3.33Å; W536-F540 PolarHBondContact O-N 2.94Å; I537-F540 PolarHBondContact O-N 3.04Å; V538-F540 VanDerWaalsContact C-N 3.34Å; V538-F540 PolarHBondContact O-N 3.12Å; F540-I544 HydrophobicContact CB-CD1 4.44Å; F540-I544 HydrophobicContact CD1-CD1 3.83Å; F540-I544 HydrophobicContact CD2-CD1 3.19Å; F540-I544 HydrophobicContact CD2-CG1 4.25Å; F540-I544 HydrophobicContact CE1-CD1 3.76Å; F540-I544 HydrophobicContact CE2-CD1 3.11Å; F540-I544 HydrophobicContact CG-CD1 3.55Å; F540-I544 HydrophobicContact CG-CG1 4.31Å; F540-I544 HydrophobicContact CZ-CD1 3.41Å; F540-I544 VanDerWaalsContact CZ-CD1 3.41Å; F540-I544 WeakPolarHBondContact O-CA 3.47Å; F540-I544 WeakPolarHBondContact O-CB 3.17Å; F540-I544 WeakPolarHBondContact O-CG1 3.36Å; F540-I544 PolarHBondContact O-N 2.75Å
541A57Low59.7Low37 Ų3780.1 Ų80.131%0.30643%0.432SS..Iπ-helixtrans-66.8-40.3-177.500000112.9I537 V538 Q545I537-A541 VanDerWaalsContact O-CB 3.23Å; I537-A541 WeakPolarHBondContact O-CB 3.49Å; I537-A541 PolarHBondContact O-N 3.01Å; V538-A541 PolarHBondContact O-N 3.44Å; A541-Q545 WeakPolarHBondContact O-CB 2.89Å
542V63.4Low58.7Low76 Ų7680.1 Ų80.146%0.46143%0.432SS..Iπ-helixtrans-92.7-47.2179.5-178.40000110.4V538 Q545 Q546V538-V542 HydrophobicContact CG1-CG2 4.08Å; V538-V542 WeakPolarHBondContact O-CA 3.27Å; V538-V542 WeakPolarHBondContact O-CB 3.34Å; V538-V542 WeakPolarHBondContact O-CG2 3.34Å; V538-V542 PolarHBondContact O-N 2.94Å; V542-Q545 PolarHBondContact O-N 2.9Å; V542-Q546 VanDerWaalsContact O-CB 3.26Å; V542-Q546 WeakPolarHBondContact O-CB 3.38Å; V542-Q546 PolarHBondContact O-N 3.36Å
543G59.7Low57.1Low16 Ų1682.4 Ų82.417%0.16544%0.436CS..Iπ-helixtrans-76.2-30-175.300000113.9W539 W547W539-G543 CarbonylContact O-C 3.47Å; W539-G543 WeakPolarHBondContact O-CA 3.03Å; W539-G543 PolarHBondContact O-N 2.94Å; G543-W547 WeakPolarHBondContact O-CA 3.08Å; G543-W547 WeakPolarHBondContact O-CB 3.41Å; G543-W547 PolarHBondContact O-N 3.38Å
544I58.9Low55.8Low52 Ų5285.6 Ų85.627%0.26746%0.458SS..Iπ-helixtrans-77.7-36.1167.2-60.7-179.9000110.4W539 F540 Q546 W547 V548W539-I544 PolarHBondContact O-N 3.43Å; F540-I544 HydrophobicContact CB-CD1 4.44Å; F540-I544 HydrophobicContact CD1-CD1 3.83Å; F540-I544 HydrophobicContact CD2-CD1 3.19Å; F540-I544 HydrophobicContact CD2-CG1 4.25Å; F540-I544 HydrophobicContact CE1-CD1 3.76Å; F540-I544 HydrophobicContact CE2-CD1 3.11Å; F540-I544 HydrophobicContact CG-CD1 3.55Å; F540-I544 HydrophobicContact CG-CG1 4.31Å; F540-I544 HydrophobicContact CZ-CD1 3.41Å; F540-I544 VanDerWaalsContact CZ-CD1 3.41Å; F540-I544 WeakPolarHBondContact O-CA 3.47Å; F540-I544 WeakPolarHBondContact O-CB 3.17Å; F540-I544 WeakPolarHBondContact O-CG1 3.36Å; F540-I544 PolarHBondContact O-N 2.75Å; I544-Q546 VanDerWaalsContact C-N 3.31Å; I544-Q546 PolarHBondContact O-N 3.29Å; I544-W547 PolarHBondContact O-N 2.92Å; I544-V548 HydrophobicContact CG2-CG2 3.59Å; I544-V548 WeakPolarHBondContact O-CA 3.4Å; I544-V548 WeakPolarHBondContact O-CB 3.29Å; I544-V548 WeakPolarHBondContact O-CG2 3.38Å; I544-V548 PolarHBondContact O-N 3.5Å
545Q53.4Low54.2Low131 Ų13189.9 Ų89.961%0.61248%0.479SS*.Hα-helixtrans-61.2-43.7172.6-166.7103.7-500110.5A541 V542 N549A541-Q545 WeakPolarHBondContact O-CB 2.89Å; V542-Q545 PolarHBondContact O-N 2.9Å; Q545-N549 WeakPolarHBondContact O-CB 3.3Å; Q545-N549 PolarHBondContact O-N 3.31Å; Q545-N549 PolarHBondContact O-ND2 3.36Å; Q545-N549 PolarHBondContact O-OD1 3.26Å; Q545-N549 VanDerWaalsContact O-OD1 3.06Å
546Q56.1Low52.3Low130 Ų13092.1 Ų92.161%0.60749%0.489SS*.Hα-helixtrans-69.4-37.6173.5-97.3175.6-39.400112.9V542 I544 N549 S550V542-Q546 VanDerWaalsContact O-CB 3.26Å; V542-Q546 WeakPolarHBondContact O-CB 3.38Å; V542-Q546 PolarHBondContact O-N 3.36Å; I544-Q546 VanDerWaalsContact C-N 3.31Å; I544-Q546 PolarHBondContact O-N 3.29Å; Q546-N549 CarbonylContact O-C 3.59Å; Q546-N549 PolarHBondContact O-N 3.43Å; Q546-S550 VanDerWaalsContact O-CB 3.22Å; Q546-S550 WeakPolarHBondContact O-CB 3.43Å; Q546-S550 PolarHBondContact O-N 2.64Å; Q546-S550 PolarHBondContact O-OG 3.33Å
547W54.9Low50.4Low159 Ų15995.9 Ų95.960%0.60251%0.511SS*.Hα-helixtrans-73.4-42.8-179.7-176.480.3000111.4G543 I544 N549 S550 V551G543-W547 WeakPolarHBondContact O-CA 3.08Å; G543-W547 WeakPolarHBondContact O-CB 3.41Å; G543-W547 PolarHBondContact O-N 3.38Å; I544-W547 PolarHBondContact O-N 2.92Å; W547-N549 VanDerWaalsContact C-N 3.32Å; W547-S550 VanDerWaalsContact CA-OG 3.28Å; W547-S550 WeakPolarHBondContact CA-OG 3.38Å; W547-S550 CarbonylContact O-C 3.58Å; W547-S550 PolarHBondContact O-N 3.43Å; W547-S550 VanDerWaalsContact O-N 3.14Å; W547-S550 PolarHBondContact O-OG 3.38Å; W547-V551 HydrophobicContact CD2-CB 4.49Å; W547-V551 HydrophobicContact CD2-CG2 3.79Å; W547-V551 HydrophobicContact CE3-CG2 4.42Å; W547-V551 HydrophobicContact CG-CG2 4.09Å; W547-V551 HydrophobicContact CH2-CG2 4.4Å; W547-V551 HydrophobicContact CZ2-CG1 4.49Å; W547-V551 HydrophobicContact CZ2-CG2 3.76Å; W547-V551 VanDerWaalsContact O-CB 3.23Å; W547-V551 WeakPolarHBondContact O-CB 3.32Å; W547-V551 VanDerWaalsContact O-CG2 3.27Å; W547-V551 WeakPolarHBondContact O-CG2 3.49Å; W547-V551 PolarHBondContact O-N 2.67Å
548V54.3Low48.8Very low61 Ų6199.6 Ų99.637%0.3754%0.535SS..Hα-helixtrans-58.6-47.9168.1171.30000108.4I544 S550 V551 V552I544-V548 HydrophobicContact CG2-CG2 3.59Å; I544-V548 WeakPolarHBondContact O-CA 3.4Å; I544-V548 WeakPolarHBondContact O-CB 3.29Å; I544-V548 WeakPolarHBondContact O-CG2 3.38Å; I544-V548 PolarHBondContact O-N 3.5Å; V548-S550 VanDerWaalsContact C-N 3.29Å; V548-S550 PolarHBondContact O-N 3.45Å; V548-V551 PolarHBondContact O-N 3.42Å; V548-V552 HydrophobicContact CG1-CB 4.45Å; V548-V552 HydrophobicContact CG1-CG2 3.78Å; V548-V552 WeakPolarHBondContact O-CA 3.21Å; V548-V552 WeakPolarHBondContact O-CB 3.37Å; V548-V552 WeakPolarHBondContact O-CG2 3.4Å; V548-V552 PolarHBondContact O-N 2.88Å
549N50Low46.9Very low79 Ų79100 Ų10042%0.42255%0.547SS..Hα-helixtrans-60.4-38.3174.8-68.2-0.2000111.7Q545 Q546 W547 E553Q545-N549 WeakPolarHBondContact O-CB 3.3Å; Q545-N549 PolarHBondContact O-N 3.31Å; Q545-N549 PolarHBondContact O-ND2 3.36Å; Q545-N549 PolarHBondContact O-OD1 3.26Å; Q545-N549 VanDerWaalsContact O-OD1 3.06Å; Q546-N549 CarbonylContact O-C 3.59Å; Q546-N549 PolarHBondContact O-N 3.43Å; W547-N549 VanDerWaalsContact C-N 3.32Å; N549-E553 WeakPolarHBondContact O-CB 3.3Å; N549-E553 WeakPolarHBondContact O-CG 3.45Å; N549-E553 PolarHBondContact O-N 3.35Å
550S50.8Low45Very low75 Ų75102.3 Ų102.352%0.52456%0.557SS.*Hα-helixtrans-82.1-21.8-177.970.70000115.3Q546 W547 V548Q546-S550 VanDerWaalsContact O-CB 3.22Å; Q546-S550 WeakPolarHBondContact O-CB 3.43Å; Q546-S550 PolarHBondContact O-N 2.64Å; Q546-S550 PolarHBondContact O-OG 3.33Å; W547-S550 VanDerWaalsContact CA-OG 3.28Å; W547-S550 WeakPolarHBondContact CA-OG 3.38Å; W547-S550 CarbonylContact O-C 3.58Å; W547-S550 PolarHBondContact O-N 3.43Å; W547-S550 VanDerWaalsContact O-N 3.14Å; W547-S550 PolarHBondContact O-OG 3.38Å; V548-S550 VanDerWaalsContact C-N 3.29Å; V548-S550 PolarHBondContact O-N 3.45Å
551V49.8Very low43.2Very low79 Ų79107.3 Ų107.348%0.47958%0.581SS.*Hα-helixtrans-97.7-30.9178.5174.30000110.6W547 V548W547-V551 HydrophobicContact CD2-CB 4.49Å; W547-V551 HydrophobicContact CD2-CG2 3.79Å; W547-V551 HydrophobicContact CE3-CG2 4.42Å; W547-V551 HydrophobicContact CG-CG2 4.09Å; W547-V551 HydrophobicContact CH2-CG2 4.4Å; W547-V551 HydrophobicContact CZ2-CG1 4.49Å; W547-V551 HydrophobicContact CZ2-CG2 3.76Å; W547-V551 VanDerWaalsContact O-CB 3.23Å; W547-V551 WeakPolarHBondContact O-CB 3.32Å; W547-V551 VanDerWaalsContact O-CG2 3.27Å; W547-V551 WeakPolarHBondContact O-CG2 3.49Å; W547-V551 PolarHBondContact O-N 2.67Å; V548-V551 PolarHBondContact O-N 3.42Å
552V46Very low42Very low106 Ų106110.6 Ų110.664%0.64260%0.6SS**Hα-helixtrans-85.9-16.9173.3-176.10000111.7V548 P554V548-V552 HydrophobicContact CG1-CB 4.45Å; V548-V552 HydrophobicContact CG1-CG2 3.78Å; V548-V552 WeakPolarHBondContact O-CA 3.21Å; V548-V552 WeakPolarHBondContact O-CB 3.37Å; V548-V552 WeakPolarHBondContact O-CG2 3.4Å; V548-V552 PolarHBondContact O-N 2.88Å; V552-P554 WeakPolarHBondContact O-CD 3.48Å
553E36.5Very low40.4Very low138 Ų138113.6 Ų113.665%0.64562%0.619SS**SBendtrans-92.784.8158.3-66.6175.1178.200109.5N549 T555N549-E553 WeakPolarHBondContact O-CB 3.3Å; N549-E553 WeakPolarHBondContact O-CG 3.45Å; N549-E553 PolarHBondContact O-N 3.35Å; E553-T555 PolarHBondContact O-N 2.79Å; E553-T555 VanDerWaalsContact O-N 3.07Å
554P31.1Very low39.3Very low94 Ų94115.2 Ų115.261%0.6163%0.625SS**  trans-62.6117.2155.229-28.2000105.8V552 S556V552-P554 WeakPolarHBondContact O-CD 3.48Å; P554-S556 VanDerWaalsContact C-N 3.26Å; P554-S556 PolarHBondContact O-N 2.79Å
555T29.2Very low38.2Very low139 Ų139117.4 Ų117.485%0.85364%0.641SS**  trans-45.392.2164.348.40000109.9E553E553-T555 PolarHBondContact O-N 2.79Å; E553-T555 VanDerWaalsContact O-N 3.07Å
556S27.9Very low37.4Very low86 Ų86114.1 Ų114.160%0.60163%0.63SS**  trans-138.373.1160.957.40000107P554 V558P554-S556 VanDerWaalsContact C-N 3.26Å; P554-S556 PolarHBondContact O-N 2.79Å; S556-V558 PolarHBondContact O-N 2.56Å
557H28.5Very low36.6Very low201 Ų201112.4 Ų112.493%0.93162%0.622SS**  trans-61.477.1150.5-75.9-72000107.8
558V26.3Very low35.7Very low110 Ų110111.7 Ų111.767%0.66763%0.625SS**  trans-116.5107.4164.3179.80000105.7S556 Y560S556-V558 PolarHBondContact O-N 2.56Å; V558-Y560 HydrophobicContact CG1-CD2 4.4Å; V558-Y560 PolarHBondContact O-N 2.95Å
559A24.2Very low34.8Very low95 Ų95114 Ų11479%0.78563%0.632SS**  trans-54.6108.1176.100000110.8
560Y26.4Very low34.2Very low211 Ų211118.6 Ų118.683%0.82764%0.644SS**  trans-136.8105.5152-93.5-80.7000109.4V558V558-Y560 HydrophobicContact CG1-CD2 4.4Å; V558-Y560 PolarHBondContact O-N 2.95Å
561Q23Very low33.5Very low178 Ų178118.8 Ų118.883%0.83264%0.639SS**  trans-57.7136.8150.1-68.4173.3-28.500107.7
562P30.8Very low33.1Very low107 Ų107118.7 Ų118.770%0.69564%0.639SS**  -122.4159.682.334.4-26.2000111.5V564P562-V564 PolarHBondContact O-N 3.48Å
563T30.5Very low32.9Very low139 Ų139119.9 Ų119.985%0.85364%0.642SS**  trans-63.765.9-176.451.40000113
564V36.5Very low33.4Very low50 Ų50116.5 Ų116.530%0.30363%0.629SS.*  trans-97.5101.4155.7-175.90000104V59 P562 V566V59-V564 HydrophobicContact CG1-CG1 4.36Å; P562-V564 PolarHBondContact O-N 3.48Å; V564-V566 HydrophobicContact CB-CG2 4.5Å; V564-V566 HydrophobicContact CG1-CG2 3.72Å; V564-V566 PolarHBondContact O-N 2.88Å
565T36.1Very low34.4Very low97 Ų97115.5 Ų115.560%0.59562%0.622SS**  trans-68.682.2164.444.70000106.7Q567T565-Q567 PolarHBondContact O-N 2.96Å
566V36.2Very low35.6Very low62 Ų62111.2 Ų111.238%0.37659%0.594SS.*  trans-65.184.5155.4-178.50000104.2V564 E568V564-V566 HydrophobicContact CB-CG2 4.5Å; V564-V566 HydrophobicContact CG1-CG2 3.72Å; V564-V566 PolarHBondContact O-N 2.88Å; V566-E568 HydrophobicContact CG1-CG 3.89Å; V566-E568 PolarHBondContact O-N 2.79Å
567Q38.6Very low37.1Very low94 Ų94111.8 Ų111.844%0.43958%0.583SS.*  trans-71.383.4165.2-79.5-167.9-39.400106T565 E569T565-Q567 PolarHBondContact O-N 2.96Å; Q567-E569 HydrophobicContact CB-CB 4.46Å; Q567-E569 PolarHBondContact O-N 3.1Å
568E37.6Very low38.6Very low144 Ų144105.5 Ų105.567%0.67355%0.554SS**  trans-7142.9153-85.5-177.8-177.500109.6V566 Y570V566-E568 HydrophobicContact CG1-CG 3.89Å; V566-E568 PolarHBondContact O-N 2.79Å; E568-Y570 PolarHBondContact O-N 3.49Å; E568-Y570 VanDerWaalsContact O-N 3.13Å
569E35.6Very low40.4Very low109 Ų109100.9 Ų100.951%0.50953%0.525SS..  trans-81.699171.7-81.2-175.6-154.600107.6Q567 N571Q567-E569 HydrophobicContact CB-CB 4.46Å; Q567-E569 PolarHBondContact O-N 3.1Å; E569-N571 HydrophobicContact CB-CB 4.19Å; E569-N571 PolarHBondContact O-N 3.49Å; E569-N571 PolarHBondContact OE2-ND2 3.43Å
570Y36.2Very low42.5Very low176 Ų17697.7 Ų97.769%0.6949%0.493SS*.  trans-60.619.2160-113.5-86.2000113K258 E568 T572K258-Y570 WeakPolarHBondContact CE-OH 3.31Å; K258-Y570 PolarHBondContact NZ-OH 2.93Å; K258-Y570 VanDerWaalsContact NZ-OH 3.07Å; E568-Y570 PolarHBondContact O-N 3.49Å; E568-Y570 VanDerWaalsContact O-N 3.13Å; Y570-T572 PolarHBondContact O-N 3.23Å; Y570-T572 VanDerWaalsContact O-N 3.13Å
571N37.4Very low44.3Very low79 Ų7990.1 Ų90.142%0.42246%0.463SS..  trans-75.2107.3-179.5-72.7-18.9000108.5E569 D573 N574E569-N571 HydrophobicContact CB-CB 4.19Å; E569-N571 PolarHBondContact O-N 3.49Å; E569-N571 PolarHBondContact OE2-ND2 3.43Å; N571-D573 HydrophobicContact CB-CB 4.3Å; N571-D573 PolarHBondContact O-N 3.43Å; N571-N574 PolarHBondContact O-N 3.22Å
572T41.5Very low46.4Very low78 Ų7882 Ų8248%0.47943%0.426SS..THydrogen-bonded Turntrans-49.1-12.1161.343.10000113.7Y570 W577Y570-T572 PolarHBondContact O-N 3.23Å; Y570-T572 VanDerWaalsContact O-N 3.13Å; T572-W577 PolarHBondContact O-NE1 3.32Å
573D41Very low48.2Very low130 Ų13077.1 Ų77.170%0.69539%0.393SS*.THydrogen-bonded Turntrans-79.2-14.5-178.2-58.7-16.3000113.7N571 P575N571-D573 HydrophobicContact CB-CB 4.3Å; N571-D573 PolarHBondContact O-N 3.43Å; D573-P575 WeakPolarHBondContact O-CD 3.27Å
574N47Very low50Low68 Ų6870.5 Ų70.536%0.36435%0.353SS..SBendtrans-76.4107.1174.8-157.5-15.5000109.2N571 N576 W577N571-N574 PolarHBondContact O-N 3.22Å; N574-N576 PolarHBondContact O-N 2.85Å; N574-W577 PolarHBondContact O-N 3.05Å; N574-W577 VanDerWaalsContact O-N 3.12Å
575P50.9Low51.2Low72 Ų7270.4 Ų70.447%0.46835%0.351SS..THydrogen-bonded Turntrans-61.5-21-164.526.3-36.5000113.3T196 D573 W577T196-P575 HydrophobicContact CG2-CB 3.88Å; T196-P575 WeakPolarHBondContact CG2-O 3.43Å; D573-P575 WeakPolarHBondContact O-CD 3.27Å; P575-W577 VanDerWaalsContact C-N 3.34Å; P575-W577 PolarHBondContact O-N 2.93Å
576N56.3Low52.5Low50 Ų5067.7 Ų67.727%0.26733%0.331SS..THydrogen-bonded Turntrans-78.5-6.7-177.9-65.8-24.8000115T196 N574 Q578 L579 Y580T196-N576 WeakPolarHBondContact CG2-OD1 3.34Å; N574-N576 PolarHBondContact O-N 2.85Å; N576-Q578 PolarHBondContact O-N 3.19Å; N576-L579 WeakPolarHBondContact O-CB 3.47Å; N576-L579 PolarHBondContact O-N 3.44Å; N576-L579 VanDerWaalsContact O-N 3.08Å; N576-Y580 HydrophobicContact CB-CE2 3.86Å; N576-Y580 WeakPolarHBondContact O-CD2 3.28Å; N576-Y580 PolarHBondContact O-N 3.25Å
577W59.4Low53.9Low97 Ų9764.8 Ų64.837%0.36731%0.313SS..Hα-helixtrans-59.1-35.5-176.778.5-100.2000112.9T572 N574 P575 R581T572-W577 PolarHBondContact O-NE1 3.32Å; N574-W577 PolarHBondContact O-N 3.05Å; N574-W577 VanDerWaalsContact O-N 3.12Å; P575-W577 VanDerWaalsContact C-N 3.34Å; P575-W577 PolarHBondContact O-N 2.93Å; W577-R581 PolarHBondContact O-N 3.28Å
578Q58.7Low55.1Low69 Ų6961.4 Ų61.432%0.32230%0.298SS..Hα-helixtrans-66.6-39.9178-63.9-166.910.200111.1N576 R581 C582N576-Q578 PolarHBondContact O-N 3.19Å; Q578-R581 WeakPolarHBondContact O-CB 3.45Å; Q578-R581 PolarHBondContact O-N 3.34Å; Q578-C582 PolarHBondContact O-N 3.48Å; Q578-C582 PolarHBondContact O-SG 3.45Å
579L63.9Low56.1Low13 Ų1356.9 Ų56.97%0.06828%0.282CS..Hα-helixtrans-61.3-46.7178.5-175.667.8000111.7L191 N576 R581 C582 W583L191-L579 HydrophobicContact CD1-CD1 3.92Å; N576-L579 WeakPolarHBondContact O-CB 3.47Å; N576-L579 PolarHBondContact O-N 3.44Å; N576-L579 VanDerWaalsContact O-N 3.08Å; L579-R581 PolarHBondContact O-N 3.31Å; L579-C582 PolarHBondContact O-N 3.17Å; L579-C582 VanDerWaalsContact O-N 3.07Å; L579-W583 HydrophobicContact CD2-CH2 4.11Å; L579-W583 HydrophobicContact CD2-CZ2 3.91Å; L579-W583 HydrophobicContact CG-CH2 4.45Å; L579-W583 HydrophobicContact CG-CZ2 4.05Å; L579-W583 PolarHBondContact O-N 3.2Å
580Y69.2Low57Low28 Ų2855.9 Ų55.911%0.1127%0.273CS..Hα-helixtrans-62.2-30.8177.9-57.6-33.5000112.9L58 L251 I253 Y255 N576 W583 A584L58-Y580 HydrophobicContact CD2-CD2 3.94Å; L58-Y580 HydrophobicContact CD2-CE2 3.45Å; L58-Y580 VanDerWaalsContact CD2-CE2 3.45Å; L251-Y580 HydrophobicContact CD2-CE1 3.6Å; L251-Y580 HydrophobicContact CD2-CE2 4.19Å; L251-Y580 VanDerWaalsContact CD2-CZ 3.4Å; L251-Y580 WeakPolarHBondContact CD2-OH 3.45Å; I253-Y580 HydrophobicContact CD1-CD1 3.42Å; I253-Y580 VanDerWaalsContact CD1-CD1 3.42Å; I253-Y580 HydrophobicContact CD1-CD2 4.4Å; I253-Y580 HydrophobicContact CD1-CE1 3.93Å; I253-Y580 HydrophobicContact CD1-CG 3.69Å; Y255-Y580 PolarHBondContact OH-O 3.3Å; N576-Y580 HydrophobicContact CB-CE2 3.86Å; N576-Y580 WeakPolarHBondContact O-CD2 3.28Å; N576-Y580 PolarHBondContact O-N 3.25Å; Y580-W583 AromaticContact CD1-CE3 3.68Å; Y580-W583 HydrophobicContact CD1-CE3 3.68Å; Y580-W583 HydrophobicContact CD1-CH2 4.31Å; Y580-W583 AromaticContact CD1-CZ3 3.41Å; Y580-W583 HydrophobicContact CD1-CZ3 3.41Å; Y580-W583 VanDerWaalsContact CD1-CZ3 3.41Å; Y580-W583 HydrophobicContact CE1-CE3 4.33Å; Y580-W583 HydrophobicContact CE1-CH2 4.2Å; Y580-W583 AromaticContact CE1-CZ3 3.59Å; Y580-W583 HydrophobicContact CE1-CZ3 3.59Å; Y580-A584 PolarHBondContact O-N 3.44Å
581R64.7Low57.9Low53 Ų5349 Ų4920%0.225%0.25CC..Hα-helixtrans-71.2-45.1171.5-174.7179.6176.3-172.4-3.6111.7T319 W577 Q578 L579 W583 A584 D585T319-R581 VanDerWaalsContact CB-NH2 3.3Å; W577-R581 PolarHBondContact O-N 3.28Å; Q578-R581 WeakPolarHBondContact O-CB 3.45Å; Q578-R581 PolarHBondContact O-N 3.34Å; L579-R581 PolarHBondContact O-N 3.31Å; R581-W583 PolarHBondContact O-N 3.16Å; R581-A584 WeakPolarHBondContact O-CB 3.26Å; R581-A584 PolarHBondContact O-N 2.69Å; R581-A584 VanDerWaalsContact O-N 3.15Å; R581-D585 PolarHBondContact O-N 2.75Å
582C66.4Low58.9Low7 Ų748.8 Ų48.85%0.04725%0.254CS..Hα-helixtrans-62-32.4177.9-45.70000111.5C187 Q578 L579 F586C187-C582 VanDerWaalsContact CA-SG 3.56Å; C187-C582 HydrophobicContact CB-CB 4.2Å; C187-C582 WeakPolarHBondContact CB-SG 3.27Å; C187-C582 WeakPolarHBondContact SG-CB 3.49Å; C187-C582 CovalentContact SG-SG 2.07Å; C187-C582 PolarHBondContact SG-SG 2.58Å; Q578-C582 PolarHBondContact O-N 3.48Å; Q578-C582 PolarHBondContact O-SG 3.45Å; L579-C582 PolarHBondContact O-N 3.17Å; L579-C582 VanDerWaalsContact O-N 3.07Å; C582-F586 WeakPolarHBondContact O-CB 3.45Å; C582-F586 PolarHBondContact O-N 3.14Å
583W69.3Low60Low4 Ų448.9 Ų48.92%0.01526%0.255CS..Hα-helixtrans-65.9-43.2173.1-72.5-19.9000113.2I85 Q87 L191 I253 L579 Y580 R581 F586 L587 V601I85-W583 HydrophobicContact CD1-CB 3.82Å; I85-W583 HydrophobicContact CD1-CD2 3.44Å; I85-W583 VanDerWaalsContact CD1-CD2 3.44Å; I85-W583 HydrophobicContact CD1-CE3 3.56Å; I85-W583 HydrophobicContact CD1-CG 3.59Å; I85-W583 HydrophobicContact CD1-CZ3 4.3Å; I85-W583 HydrophobicContact CG2-CD2 4.31Å; I85-W583 HydrophobicContact CG2-CH2 4.18Å; I85-W583 HydrophobicContact CG2-CZ2 3.84Å; Q87-W583 HydrophobicContact CG-CZ2 4.23Å; L191-W583 VanDerWaalsContact CD1-CD1 3.42Å; I253-W583 HydrophobicContact CD1-CE3 4.23Å; I253-W583 HydrophobicContact CD1-CZ3 4.25Å; L579-W583 HydrophobicContact CD2-CH2 4.11Å; L579-W583 HydrophobicContact CD2-CZ2 3.91Å; L579-W583 HydrophobicContact CG-CH2 4.45Å; L579-W583 HydrophobicContact CG-CZ2 4.05Å; L579-W583 PolarHBondContact O-N 3.2Å; Y580-W583 AromaticContact CD1-CE3 3.68Å; Y580-W583 HydrophobicContact CD1-CE3 3.68Å; Y580-W583 HydrophobicContact CD1-CH2 4.31Å; Y580-W583 AromaticContact CD1-CZ3 3.41Å; Y580-W583 HydrophobicContact CD1-CZ3 3.41Å; Y580-W583 VanDerWaalsContact CD1-CZ3 3.41Å; Y580-W583 HydrophobicContact CE1-CE3 4.33Å; Y580-W583 HydrophobicContact CE1-CH2 4.2Å; Y580-W583 AromaticContact CE1-CZ3 3.59Å; Y580-W583 HydrophobicContact CE1-CZ3 3.59Å; R581-W583 PolarHBondContact O-N 3.16Å; W583-F586 PolarHBondContact O-N 3.42Å; W583-L587 WeakPolarHBondContact O-CB 3.32Å; W583-L587 WeakPolarHBondContact O-CG 3.42Å; W583-L587 PolarHBondContact O-N 3.43Å; W583-V601 HydrophobicContact CE3-CG2 3.89Å; W583-V601 HydrophobicContact CH2-CG1 3.68Å; W583-V601 HydrophobicContact CH2-CG2 4.12Å; W583-V601 HydrophobicContact CZ3-CB 4.18Å; W583-V601 HydrophobicContact CZ3-CG1 3.76Å; W583-V601 HydrophobicContact CZ3-CG2 3.32Å
584A67.7Low61.4Low0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-61.5-46176.300000111.2P53 Y255 Y580 R581 F586 L587 E588P53-A584 HydrophobicContact CB-CB 4.27Å; P53-A584 HydrophobicContact CG-CB 3.62Å; Y255-A584 HydrophobicContact CD1-CB 4.23Å; Y255-A584 HydrophobicContact CE1-CB 3.41Å; Y255-A584 VanDerWaalsContact CE1-CB 3.41Å; Y580-A584 PolarHBondContact O-N 3.44Å; R581-A584 WeakPolarHBondContact O-CB 3.26Å; R581-A584 PolarHBondContact O-N 2.69Å; R581-A584 VanDerWaalsContact O-N 3.15Å; A584-F586 VanDerWaalsContact C-N 3.3Å; A584-F586 PolarHBondContact O-N 3.4Å; A584-L587 PolarHBondContact O-N 3.39Å; A584-E588 PolarHBondContact O-N 2.9Å
585D62.3Low62.3Low49 Ų4940.7 Ų40.726%0.26221%0.211SC..Hα-helixtrans-59.7-41.4176-75.2-17.5000111.7R581 S589R581-D585 PolarHBondContact O-N 2.75Å; D585-S589 VanDerWaalsContact O-CB 3.3Å; D585-S589 WeakPolarHBondContact O-CB 3.41Å; D585-S589 PolarHBondContact O-N 2.93Å; D585-S589 VanDerWaalsContact O-N 3.1Å; D585-S589 PolarHBondContact O-OG 3.45Å
586F63.6Low63.1Low39 Ų3938 Ų3817%0.17120%0.196CC..Hα-helixtrans-65.1-46.5176.5-170.7-76.4000111.5L156 M213 C582 W583 A584 S589L156-F586 HydrophobicContact CD1-CE2 4.4Å; L156-F586 HydrophobicContact CD2-CE2 4.41Å; M213-F586 HydrophobicContact CE-CB 4.46Å; M213-F586 HydrophobicContact CE-CD1 2.97Å; M213-F586 HydrophobicContact CE-CD2 4.46Å; M213-F586 HydrophobicContact CE-CE1 3.04Å; M213-F586 HydrophobicContact CE-CG 3.74Å; M213-F586 HydrophobicContact CE-CZ 3.86Å; M213-F586 HydrophobicContact SD-CD1 4.26Å; C582-F586 WeakPolarHBondContact O-CB 3.45Å; C582-F586 PolarHBondContact O-N 3.14Å; W583-F586 PolarHBondContact O-N 3.42Å; A584-F586 VanDerWaalsContact C-N 3.3Å; A584-F586 PolarHBondContact O-N 3.4Å; F586-S589 PolarHBondContact O-N 2.71Å; F586-S589 PolarHBondContact O-OG 3.37Å
587L65.3Low63.9Low2 Ų241.1 Ų41.11%0.0120%0.204CC..Hα-helixtrans-63.4-51.6-179.5-74.9169.5000111.5A83 M213 I215 W583 A584 S589 R590 V591 V594 V599A83-L587 HydrophobicContact CB-CD1 3.94Å; A83-L587 HydrophobicContact CB-CD2 3.53Å; A83-L587 HydrophobicContact CB-CG 4.41Å; M213-L587 HydrophobicContact SD-CD2 4.15Å; M213-L587 HydrophobicContact SD-CG 4.31Å; I215-L587 HydrophobicContact CD1-CD2 3.97Å; I215-L587 HydrophobicContact CG1-CD2 4.3Å; W583-L587 WeakPolarHBondContact O-CB 3.32Å; W583-L587 WeakPolarHBondContact O-CG 3.42Å; W583-L587 PolarHBondContact O-N 3.43Å; A584-L587 PolarHBondContact O-N 3.39Å; L587-S589 PolarHBondContact O-N 3.29Å; L587-S589 VanDerWaalsContact O-N 3.16Å; L587-R590 PolarHBondContact O-N 3.32Å; L587-R590 VanDerWaalsContact O-N 3.13Å; L587-V591 PolarHBondContact O-N 2.9Å; L587-V594 HydrophobicContact CB-CG2 3.71Å; L587-V594 HydrophobicContact CD1-CG2 4.44Å; L587-V599 HydrophobicContact CD1-CG1 4.25Å; L587-V599 HydrophobicContact CD1-CG2 3.54Å
588E62.9Low64.7Low23 Ų2336.8 Ų36.811%0.10719%0.187CC..Hα-helixtrans-62.1-25177.2-74.2-158.5153.700112.9P53 A584 R590 V591 V594 N595P53-E588 VanDerWaalsContact CD-CD 3.46Å; P53-E588 WeakPolarHBondContact CD-OE1 3.35Å; P53-E588 WeakPolarHBondContact CD-OE2 3.41Å; P53-E588 HydrophobicContact CG-CG 4.16Å; A584-E588 PolarHBondContact O-N 2.9Å; E588-R590 PolarHBondContact O-N 3.26Å; E588-V591 WeakPolarHBondContact CA-O 3.39Å; E588-V594 HydrophobicContact CG-CB 4.15Å; E588-V594 HydrophobicContact CG-CG2 3.72Å; E588-V594 PolarHBondContact OE1-N 3.47Å; E588-N595 PolarHBondContact OE1-ND2 3.4Å
589S58Low65.7Low49 Ų4933.5 Ų33.534%0.34317%0.172SC..THydrogen-bonded Turntrans-66.7-16.2178.673.70000115.2R49 D585 F586 L587R49-S589 VanDerWaalsContact CZ-CA 3.41Å; R49-S589 VanDerWaalsContact NH1-CB 3.32Å; R49-S589 VanDerWaalsContact NH1-N 3.18Å; D585-S589 VanDerWaalsContact O-CB 3.3Å; D585-S589 WeakPolarHBondContact O-CB 3.41Å; D585-S589 PolarHBondContact O-N 2.93Å; D585-S589 VanDerWaalsContact O-N 3.1Å; D585-S589 PolarHBondContact O-OG 3.45Å; F586-S589 PolarHBondContact O-N 2.71Å; F586-S589 PolarHBondContact O-OG 3.37Å; L587-S589 PolarHBondContact O-N 3.29Å; L587-S589 VanDerWaalsContact O-N 3.16Å
590R55.5Low66.6Low88 Ų8832.9 Ų32.933%0.33217%0.169SC..THydrogen-bonded Turntrans-146.9-12.3-167.7-52.6-173.5-179.2-151.9-7.6115.2V138 L587 E588V138-R590 PolarHBondContact O-NH1 3.16Å; V138-R590 PolarHBondContact O-NH2 3.23Å; L587-R590 PolarHBondContact O-N 3.32Å; L587-R590 VanDerWaalsContact O-N 3.13Å; E588-R590 PolarHBondContact O-N 3.26Å
591V54.6Low67.1Low32 Ų3232.2 Ų32.219%0.19417%0.168CC..SBendtrans-138.2145.5175.81780000106.3I215 L587 E588I215-V591 HydrophobicContact CD1-CB 4.11Å; I215-V591 HydrophobicContact CD1-CG2 3.33Å; I215-V591 HydrophobicContact CG2-CB 4.37Å; I215-V591 HydrophobicContact CG2-CG1 3.65Å; I215-V591 HydrophobicContact CG2-CG2 4.08Å; L587-V591 PolarHBondContact O-N 2.9Å; E588-V591 WeakPolarHBondContact CA-O 3.39Å
592S58.8Low67.7Low73 Ų7330 Ų3051%0.5116%0.16SC..SBendtrans-37.4157.4-17654.60000115.7V594S592-V594 PolarHBondContact O-N 2.9Å
593T65.2Low68.2Low80 Ų8030 Ų3049%0.49116%0.16SC..  trans-39.4129.2-179.156.50000113.6N595T593-N595 VanDerWaalsContact C-N 3.25Å
594V69.2Low68.5Low0 Ų031.9 Ų31.90%017%0.172CC..  trans-80.9-12.5177.1-176.60000111.1P53 Y255 L587 E588 S592 G596 R597 V599P53-V594 HydrophobicContact CB-CB 4.47Å; Y255-V594 HydrophobicContact CD2-CG1 3.2Å; Y255-V594 HydrophobicContact CE2-CG1 3.58Å; Y255-V594 HydrophobicContact CG-CG1 3.73Å; L587-V594 HydrophobicContact CB-CG2 3.71Å; L587-V594 HydrophobicContact CD1-CG2 4.44Å; E588-V594 HydrophobicContact CG-CB 4.15Å; E588-V594 HydrophobicContact CG-CG2 3.72Å; E588-V594 PolarHBondContact OE1-N 3.47Å; S592-V594 PolarHBondContact O-N 2.9Å; V594-G596 PolarHBondContact O-N 3.16Å; V594-R597 PolarHBondContact O-N 2.98Å; V594-R597 VanDerWaalsContact O-N 3.11Å; V594-V599 HydrophobicContact CG1-CG2 4.06Å
595N67.1Low69Low27 Ų2732.3 Ų32.314%0.14418%0.175CC..THydrogen-bonded Turntrans-55.5126.5-178.3-61.1-48.9000113.3F51 P53 I257 E588 T593 R597F51-N595 VanDerWaalsContact CB-ND2 3.31Å; F51-N595 WeakPolarHBondContact CB-ND2 3.42Å; P53-N595 WeakPolarHBondContact CA-OD1 3.39Å; P53-N595 WeakPolarHBondContact CB-OD1 3.24Å; I257-N595 HydrophobicContact CG1-CB 3.89Å; E588-N595 PolarHBondContact OE1-ND2 3.4Å; T593-N595 VanDerWaalsContact C-N 3.25Å; N595-R597 VanDerWaalsContact C-N 3.28Å
596G66.2Low69.8Low14 Ų1431.5 Ų31.514%0.14417%0.17CC..THydrogen-bonded Turntrans80.17.5179.400000113.8Y254 Y255 V594Y254-G596 WeakPolarHBondContact CE2-O 3.5Å; Y255-G596 WeakPolarHBondContact O-CA 3.49Å; Y255-G596 PolarHBondContact O-N 2.98Å; V594-G596 PolarHBondContact O-N 3.16Å
597R74.4Confident70.7Confident116 Ų11629.7 Ų29.744%0.43816%0.162SC..  trans-127.3167.1-179.1-56.9-175.8178.1177.1-2.3110.4V82 Y255 V594 N595V82-R597 HydrophobicContact CG2-CB 3.3Å; V82-R597 VanDerWaalsContact CG2-CD 3.41Å; V82-R597 HydrophobicContact CG2-CG 4Å; Y255-R597 PolarHBondContact N-O 3.24Å; V594-R597 PolarHBondContact O-N 2.98Å; V594-R597 VanDerWaalsContact O-N 3.11Å; N595-R597 VanDerWaalsContact C-N 3.28Å
598F76.5Confident71.4Confident6 Ų629.7 Ų29.73%0.02616%0.162CC..EExtended strand (participates in β ladder)trans-110.3154.9176.365.9-80.3000113.4W75 L76 D79 P81 V82 H252 I253 Y254 T600W75-F598 HydrophobicContact CE3-CB 4.07Å; W75-F598 AromaticContact CE3-CD1 3.74Å; W75-F598 HydrophobicContact CE3-CD1 3.74Å; W75-F598 HydrophobicContact CE3-CE1 4.4Å; W75-F598 HydrophobicContact CE3-CG 4.02Å; W75-F598 HydrophobicContact CZ3-CB 3.79Å; W75-F598 HydrophobicContact CZ3-CD1 4.07Å; W75-F598 HydrophobicContact CZ3-CD2 4.43Å; W75-F598 AromaticContact CZ3-CG 3.87Å; W75-F598 HydrophobicContact CZ3-CG 3.87Å; W75-F598 WeakPolarHBondContact O-CE1 3.38Å; L76-F598 HydrophobicContact CD1-CD2 4.18Å; L76-F598 HydrophobicContact CD1-CE1 4.47Å; L76-F598 HydrophobicContact CD1-CE2 3.72Å; L76-F598 HydrophobicContact CD1-CZ 3.9Å; D79-F598 HydrophobicContact CB-CE1 4.08Å; D79-F598 WeakPolarHBondContact O-CE1 3.41Å; D79-F598 WeakPolarHBondContact O-CZ 3.48Å; P81-F598 WeakPolarHBondContact CA-O 3.31Å; P81-F598 HydrophobicContact CB-CD2 3.93Å; P81-F598 HydrophobicContact CB-CE2 3.59Å; P81-F598 HydrophobicContact CB-CZ 4.12Å; P81-F598 HydrophobicContact CG-CE2 4.08Å; P81-F598 HydrophobicContact CG-CZ 4.4Å; V82-F598 PolarHBondContact N-O 3.44Å; H252-F598 AromaticContact ND1-CD2 3.98Å; H252-F598 AromaticContact ND1-CE2 3.91Å; I253-F598 CarbonylContact O-C 3.6Å; I253-F598 WeakPolarHBondContact O-CA 3.18Å; I253-F598 VanDerWaalsContact O-CB 3.31Å; I253-F598 WeakPolarHBondContact O-CB 3.13Å; Y254-F598 HydrophobicContact CD2-CB 4.07Å; F598-T600 WeakPolarHBondContact CE2-OG1 3.44Å
599V79.7Confident72.3Confident0 Ų028.6 Ų28.60%016%0.157CC..EExtended strand (participates in β ladder)trans-113.4137.4170.4173.10000107.5V82 A83 I85 I253 Y255 L587 V594V82-V599 HydrophobicContact CB-CG2 4.49Å; A83-V599 WeakPolarHBondContact O-CG1 3.45Å; I85-V599 HydrophobicContact CD1-CG1 3.54Å; I85-V599 HydrophobicContact CG1-CG1 3.7Å; I253-V599 PolarHBondContact N-O 2.9Å; I253-V599 PolarHBondContact O-N 3.4Å; Y255-V599 HydrophobicContact CD2-CG2 4.29Å; Y255-V599 HydrophobicContact CE2-CB 3.99Å; Y255-V599 HydrophobicContact CE2-CG2 3.64Å; L587-V599 HydrophobicContact CD1-CG1 4.25Å; L587-V599 HydrophobicContact CD1-CG2 3.54Å; V594-V599 HydrophobicContact CG1-CG2 4.06Å
600T81.3Confident73.1Confident1 Ų131.7 Ų31.71%0.00617%0.166CC..EExtended strand (participates in β ladder)trans-106.3118.5179.3-570000109.4A83 Y84 I85 I250 H252 F598A83-T600 PolarHBondContact O-N 2.96Å; Y84-T600 CarbonylContact C-O 3.54Å; Y84-T600 VanDerWaalsContact CA-O 3.27Å; Y84-T600 WeakPolarHBondContact CA-O 3.31Å; Y84-T600 HydrophobicContact CD1-CG2 4.02Å; Y84-T600 HydrophobicContact CE1-CG2 4.11Å; I85-T600 PolarHBondContact N-O 2.78Å; I250-T600 HydrophobicContact CG2-CG2 3.41Å; I250-T600 VanDerWaalsContact CG2-CG2 3.41Å; H252-T600 VanDerWaalsContact CE1-CG2 3.4Å; H252-T600 WeakPolarHBondContact CE1-CG2 3Å; H252-T600 WeakPolarHBondContact ND1-CG2 3.32Å; H252-T600 PolarHBondContact ND1-OG1 2.5Å; F598-T600 WeakPolarHBondContact CE2-OG1 3.44Å
601V80.3Confident73.9Confident13 Ų1328.3 Ų28.38%0.07916%0.155CC..EExtended strand (participates in β ladder)trans-99.3116.9177.3-176.40000107.1I85 L251 I253 W583I85-V601 HydrophobicContact CB-CG2 4.29Å; I85-V601 HydrophobicContact CD1-CG2 4.45Å; L251-V601 HydrophobicContact CB-CB 4.12Å; L251-V601 HydrophobicContact CD2-CB 4.46Å; L251-V601 PolarHBondContact N-O 2.96Å; L251-V601 WeakPolarHBondContact O-CB 3.3Å; L251-V601 PolarHBondContact O-N 2.82Å; I253-V601 HydrophobicContact CD1-CG2 3.64Å; I253-V601 HydrophobicContact CG1-CG2 4.25Å; W583-V601 HydrophobicContact CE3-CG2 3.89Å; W583-V601 HydrophobicContact CH2-CG1 3.68Å; W583-V601 HydrophobicContact CH2-CG2 4.12Å; W583-V601 HydrophobicContact CZ3-CB 4.18Å; W583-V601 HydrophobicContact CZ3-CG1 3.76Å; W583-V601 HydrophobicContact CZ3-CG2 3.32Å
602L78.1Confident74.9Confident7 Ų731.5 Ų31.54%0.03717%0.17CC..EExtended strand (participates in β ladder)trans-84.9154.7178.2-69.4166.4000110V64 Y84 I85 V86 V222 I250V64-L602 HydrophobicContact CG2-CD2 4.01Å; Y84-L602 HydrophobicContact CD1-CD1 4.37Å; I85-L602 PolarHBondContact O-N 3.48Å; V86-L602 HydrophobicContact CG2-CB 4.08Å; V86-L602 HydrophobicContact CG2-CD1 3.6Å; V86-L602 HydrophobicContact CG2-CG 4.41Å; V222-L602 HydrophobicContact CG1-CD1 3.23Å; I250-L602 HydrophobicContact CD1-CD2 4.32Å; I250-L602 HydrophobicContact CG1-CD2 4.07Å; I250-L602 HydrophobicContact CG2-CD2 4.27Å
603P75.6Confident75.7Confident8 Ų832 Ų325%0.05216%0.164CC..EExtended strand (participates in β ladder)trans-56.8139.3178.5-16.223.5000110.8R226 D248 I250R226-P603 VanDerWaalsContact NH2-CG 3.33Å; D248-P603 WeakPolarHBondContact OD1-CB 3.15Å; I250-P603 HydrophobicContact CG1-CG 4.4Å
604P76.7Confident76.3Confident42 Ų4231.3 Ų31.327%0.27317%0.167SC..EExtended strand (participates in β ladder)trans-61.8142.3-179.225.2-33.4000111.4Q87 I89 H606Q87-P604 HydrophobicContact CB-CB 4.23Å; Q87-P604 CarbonylContact O-C 3.57Å; Q87-P604 VanDerWaalsContact O-CA 3.24Å; Q87-P604 WeakPolarHBondContact O-CA 2.88Å; I89-P604 HydrophobicContact CD1-CB 3.83Å; I89-P604 HydrophobicContact CD1-CG 4.42Å; I89-P604 HydrophobicContact CG1-CB 4.3Å; P604-H606 WeakPolarHBondContact CG-NE2 3.22Å; P604-H606 PolarHBondContact O-N 3.44Å
605V77.1Confident76.5Confident10 Ų1033.6 Ų33.66%0.06118%0.183CC..EExtended strand (participates in β ladder)trans-88.4105.8171.5179.50000107.9V86 Q87 V88 I89 T230 L607V86-V605 HydrophobicContact CG1-CG2 4.32Å; Q87-V605 PolarHBondContact O-N 2.85Å; V88-V605 CarbonylContact C-O 3.58Å; V88-V605 WeakPolarHBondContact CA-O 3.35Å; V88-V605 HydrophobicContact CG2-CB 4.41Å; I89-V605 PolarHBondContact N-O 3.4Å; T230-V605 HydrophobicContact CG2-CG1 4.1Å; T230-V605 HydrophobicContact CG2-CG2 4.03Å; V605-L607 HydrophobicContact CG1-CD2 4.21Å; V605-L607 HydrophobicContact CG1-CG 4.28Å
606H80.6Confident77.1Confident31 Ų3132.3 Ų32.314%0.14418%0.177CC..EExtended strand (participates in β ladder)trans-84.2122.5175.7-65.6-77.6000111.5I89 H91 W241 E246 P604I89-H606 WeakPolarHBondContact O-CA 3.45Å; H91-H606 AromaticContact CD2-ND1 3.76Å; H91-H606 AromaticContact CE1-ND1 3.89Å; H91-H606 AromaticContact NE2-CE1 3.76Å; H91-H606 AromaticContact NE2-CG 3.85Å; H91-H606 AromaticContact NE2-ND1 2.97Å; H91-H606 PolarHBondContact NE2-ND1 2.84Å; W241-H606 HydrophobicContact CB-CB 4.05Å; W241-H606 PolarHBondContact N-O 3.1Å; E246-H606 IonicContact OE2-NE2 2.8Å; P604-H606 WeakPolarHBondContact CG-NE2 3.22Å; P604-H606 PolarHBondContact O-N 3.44Å
607L82Confident77.7Confident2 Ų233.4 Ų33.41%0.0118%0.184CC..EExtended strand (participates in β ladder)trans-118.3136.8175.3-61.8177.5000108.6V88 I89 V90 H91 L119 G233 F238 T239 V605V88-L607 HydrophobicContact CG1-CD1 3.65Å; V88-L607 HydrophobicContact CG1-CG 4.22Å; I89-L607 PolarHBondContact O-N 2.9Å; V90-L607 CarbonylContact C-O 3.53Å; V90-L607 VanDerWaalsContact CA-O 3.25Å; V90-L607 WeakPolarHBondContact CA-O 3.29Å; H91-L607 PolarHBondContact N-O 3.22Å; L119-L607 HydrophobicContact CD1-CD1 3.55Å; L119-L607 HydrophobicContact CD2-CD1 3.9Å; L119-L607 HydrophobicContact CG-CD1 4.38Å; G233-L607 VanDerWaalsContact CA-CD2 3.48Å; F238-L607 HydrophobicContact CD1-CB 4.4Å; F238-L607 HydrophobicContact CD1-CD1 4.39Å; T239-L607 CarbonylContact O-C 3.57Å; T239-L607 WeakPolarHBondContact O-CA 3.19Å; V605-L607 HydrophobicContact CG1-CD2 4.21Å; V605-L607 HydrophobicContact CG1-CG 4.28Å
608A79.4Confident78.1Confident1 Ų131.6 Ų31.61%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-100.9141.616800000110.2H91 T93 F238 T239 W241H91-A608 CarbonylContact O-C 3.58Å; H91-A608 WeakPolarHBondContact O-CA 3.1Å; T93-A608 HydrophobicContact CG2-CB 3.96Å; F238-A608 CarbonylContact C-O 3.59Å; F238-A608 WeakPolarHBondContact CA-O 3.14Å; T239-A608 PolarHBondContact N-O 2.74Å; T239-A608 PolarHBondContact O-N 2.97Å; T239-A608 WeakPolarHBondContact OG1-CB 3.46Å; T239-A608 PolarHBondContact OG1-O 2.8Å; W241-A608 HydrophobicContact CB-CB 4.06Å; W241-A608 HydrophobicContact CD2-CB 4.25Å; W241-A608 HydrophobicContact CE3-CB 3.54Å; W241-A608 HydrophobicContact CZ3-CB 4.35Å
609V81.1Confident78.4Confident1 Ų131.4 Ų31.41%0.00618%0.182CC..EExtended strand (participates in β ladder)trans-112.5118.6171.8172.40000108.4V90 H91 T93 A115 F238 L611V90-V609 HydrophobicContact CG1-CB 4.26Å; V90-V609 HydrophobicContact CG1-CG2 3.38Å; H91-V609 PolarHBondContact O-N 2.68Å; T93-V609 PolarHBondContact N-O 3.34Å; T93-V609 PolarHBondContact OG1-O 3.32Å; A115-V609 HydrophobicContact CB-CG1 4.1Å; F238-V609 HydrophobicContact CD1-CG2 3.31Å; F238-V609 HydrophobicContact CE1-CG2 3.26Å; F238-V609 HydrophobicContact CG-CG2 4.41Å; F238-V609 HydrophobicContact CZ-CG2 4.33Å; V609-L611 HydrophobicContact CG1-CD2 4.07Å; V609-L611 HydrophobicContact CG1-CG 4.42Å
610Q74.9Confident78.4Confident114 Ų11432.2 Ų32.253%0.53319%0.186SC..PPolyproline II helixtrans-85.9117.7165.5-74.7-177.2-800108.9T93T93-Q610 WeakPolarHBondContact OG1-CG 3.15Å
611L73.4Confident78.4Confident17 Ų1740.9 Ų40.99%0.08922%0.219CC..PPolyproline II helixtrans-83.7117.7174.2-66.7172.3000108.9F99 L108 F112 V609 V616F99-L611 HydrophobicContact CZ-CB 4.1Å; F99-L611 VanDerWaalsContact CZ-O 3.23Å; F99-L611 WeakPolarHBondContact CZ-O 3.44Å; L108-L611 HydrophobicContact CD2-CD1 4.5Å; F112-L611 HydrophobicContact CB-CD1 4.41Å; V609-L611 HydrophobicContact CG1-CD2 4.07Å; V609-L611 HydrophobicContact CG1-CG 4.42Å; L611-V616 HydrophobicContact CB-CG2 4.44Å
612N75.4Confident78.4Confident99 Ų9946.6 Ų46.653%0.52924%0.239SC..PPolyproline II helixtrans-85.5142.8172.9-69.8-8.5000110.2A614 S615 V616N612-A614 PolarHBondContact O-N 2.94Å; N612-A614 VanDerWaalsContact O-N 3.14Å; N612-S615 PolarHBondContact N-OG 3.04Å; N612-S615 WeakPolarHBondContact O-CB 3.29Å; N612-S615 PolarHBondContact O-N 3.44Å; N612-S615 PolarHBondContact O-OG 3.43Å; N612-V616 PolarHBondContact O-N 2.93Å
613E76Confident78.2Confident82 Ų8247.3 Ų47.338%0.38324%0.244SC..Hα-helixtrans-51.8-39175.4-76-167.6153.400112.5F99 S100 F103 S615 V616 A617F99-E613 HydrophobicContact CD1-CG 3.55Å; F99-E613 HydrophobicContact CE1-CB 4.37Å; F99-E613 HydrophobicContact CE1-CG 3.59Å; S100-E613 PolarHBondContact N-OE1 3.45Å; S100-E613 VanDerWaalsContact N-OE1 3.12Å; S100-E613 PolarHBondContact OG-OE1 3.02Å; F103-E613 HydrophobicContact CE2-CG 4.3Å; E613-S615 VanDerWaalsContact C-N 3.34Å; E613-S615 PolarHBondContact O-N 3.31Å; E613-V616 PolarHBondContact O-N 3.49Å; E613-A617 WeakPolarHBondContact O-CB 3.21Å; E613-A617 PolarHBondContact O-N 3.39Å
614A76.7Confident78.3Confident67 Ų6756.9 Ų56.955%0.55428%0.279SS*.Hα-helixtrans-63.3-35.9176.200000113.5N612 N618N612-A614 PolarHBondContact O-N 2.94Å; N612-A614 VanDerWaalsContact O-N 3.14Å; A614-N618 WeakPolarHBondContact O-CB 3.4Å; A614-N618 VanDerWaalsContact O-CG 3.31Å; A614-N618 PolarHBondContact O-N 2.81Å; A614-N618 PolarHBondContact O-ND2 3.08Å
615S75.3Confident78.2Confident48 Ų4858.8 Ų58.834%0.33630%0.298SS..Hα-helixtrans-69.3-41177.970.60000111.2N612 E613 N618 M619N612-S615 PolarHBondContact N-OG 3.04Å; N612-S615 WeakPolarHBondContact O-CB 3.29Å; N612-S615 PolarHBondContact O-N 3.44Å; N612-S615 PolarHBondContact O-OG 3.43Å; E613-S615 VanDerWaalsContact C-N 3.34Å; E613-S615 PolarHBondContact O-N 3.31Å; S615-N618 PolarHBondContact O-N 3.27Å; S615-M619 WeakPolarHBondContact O-CB 3.32Å; S615-M619 PolarHBondContact O-N 2.65Å
616V78.1Confident77.8Confident0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-66.3-44.8175.7-1790000110.1F99 F103 L108 L611 N612 E613 N618 M619 I620F99-V616 HydrophobicContact CE1-CG2 4.16Å; F99-V616 HydrophobicContact CZ-CG2 4.41Å; F103-V616 HydrophobicContact CD1-CG1 3.93Å; F103-V616 HydrophobicContact CD2-CG1 4.41Å; F103-V616 HydrophobicContact CE1-CG1 4.17Å; F103-V616 HydrophobicContact CG-CG1 4.06Å; L108-V616 HydrophobicContact CD2-CG1 4.37Å; L108-V616 HydrophobicContact CD2-CG2 4.01Å; L611-V616 HydrophobicContact CB-CG2 4.44Å; N612-V616 PolarHBondContact O-N 2.93Å; E613-V616 PolarHBondContact O-N 3.49Å; V616-N618 PolarHBondContact O-N 2.98Å; V616-M619 HydrophobicContact CB-CE 4.45Å; V616-M619 HydrophobicContact CG1-CE 3.87Å; V616-M619 WeakPolarHBondContact O-CE 3.44Å; V616-M619 PolarHBondContact O-N 3.07Å; V616-I620 HydrophobicContact CG1-CD1 3.99Å; V616-I620 VanDerWaalsContact O-CG1 3.29Å; V616-I620 WeakPolarHBondContact O-CG1 3.46Å; V616-I620 PolarHBondContact O-N 3.05Å
617A80.4Confident77Confident36 Ų3665 Ų6530%0.29833%0.329SS..Hα-helixtrans-61.6-41.6176.500000112.5E613 I620 R621E613-A617 WeakPolarHBondContact O-CB 3.21Å; E613-A617 PolarHBondContact O-N 3.39Å; A617-I620 PolarHBondContact O-N 3.23Å; A617-R621 WeakPolarHBondContact O-CG 3.49Å; A617-R621 PolarHBondContact O-N 3.36Å
618N82Confident75.8Confident79 Ų7968.2 Ų68.242%0.42235%0.35SS..Hα-helixtrans-65.9-40.7175.9-80.2-19.2000112.4A614 S615 V616 R621 R622A614-N618 WeakPolarHBondContact O-CB 3.4Å; A614-N618 VanDerWaalsContact O-CG 3.31Å; A614-N618 PolarHBondContact O-N 2.81Å; A614-N618 PolarHBondContact O-ND2 3.08Å; S615-N618 PolarHBondContact O-N 3.27Å; V616-N618 PolarHBondContact O-N 2.98Å; N618-R621 WeakPolarHBondContact O-CB 3.3Å; N618-R621 PolarHBondContact O-N 3.23Å; N618-R622 WeakPolarHBondContact O-CG 3.46Å; N618-R622 PolarHBondContact O-N 2.91Å
619M82.2Confident74.6Confident1 Ų171 Ų711%0.00537%0.366CS..Hα-helixtrans-64.8-38.8174.3172.4-84.1-48.500111.4H107 R110 E114 L170 S615 V616 R621 R622 T623H107-M619 HydrophobicContact CB-CE 4.21Å; H107-M619 WeakPolarHBondContact O-CE 3.22Å; R110-M619 HydrophobicContact CB-SD 3.95Å; E114-M619 VanDerWaalsContact OE2-CB 3.31Å; E114-M619 WeakPolarHBondContact OE2-CB 3.36Å; E114-M619 WeakPolarHBondContact OE2-CG 3.31Å; L170-M619 HydrophobicContact CD2-CG 4.01Å; S615-M619 WeakPolarHBondContact O-CB 3.32Å; S615-M619 PolarHBondContact O-N 2.65Å; V616-M619 HydrophobicContact CB-CE 4.45Å; V616-M619 HydrophobicContact CG1-CE 3.87Å; V616-M619 WeakPolarHBondContact O-CE 3.44Å; V616-M619 PolarHBondContact O-N 3.07Å; M619-R621 VanDerWaalsContact C-N 3.34Å; M619-R621 PolarHBondContact O-N 2.97Å; M619-R622 PolarHBondContact O-N 3.29Å; M619-T623 WeakPolarHBondContact O-CG2 3.43Å; M619-T623 PolarHBondContact O-N 2.82Å; M619-T623 PolarHBondContact O-OG1 2.63Å; M619-T623 VanDerWaalsContact O-OG1 3.08Å; M619-T623 HydrophobicContact SD-CG2 3.97Å
620I80.7Confident73Confident18 Ų1876.3 Ų76.39%0.09239%0.394CS..Hα-helixtrans-62.1-40.9172.2-68.4165.1000111.2F103 H107 V616 A617 T623 R624F103-I620 HydrophobicContact CD1-CD1 3.49Å; F103-I620 VanDerWaalsContact CD1-CD1 3.49Å; F103-I620 HydrophobicContact CE1-CD1 3.52Å; H107-I620 HydrophobicContact CB-CD1 4.35Å; H107-I620 HydrophobicContact CB-CG1 4.38Å; V616-I620 HydrophobicContact CG1-CD1 3.99Å; V616-I620 VanDerWaalsContact O-CG1 3.29Å; V616-I620 WeakPolarHBondContact O-CG1 3.46Å; V616-I620 PolarHBondContact O-N 3.05Å; A617-I620 PolarHBondContact O-N 3.23Å; I620-T623 WeakPolarHBondContact CA-OG1 3.3Å; I620-T623 PolarHBondContact O-OG1 3.36Å; I620-R624 WeakPolarHBondContact O-CB 3.22Å; I620-R624 VanDerWaalsContact O-CG 3.32Å; I620-R624 WeakPolarHBondContact O-CG 3.26Å; I620-R624 PolarHBondContact O-N 2.85Å
621R80.9Confident71.6Confident182 Ų18273.8 Ų73.869%0.68738%0.383SS*.Hα-helixtrans-62.1-43.9173.7-72.9178.3-179.5179.5-0.2111.8A617 N618 M619 R624 A625A617-R621 WeakPolarHBondContact O-CG 3.49Å; A617-R621 PolarHBondContact O-N 3.36Å; N618-R621 WeakPolarHBondContact O-CB 3.3Å; N618-R621 PolarHBondContact O-N 3.23Å; M619-R621 VanDerWaalsContact C-N 3.34Å; M619-R621 PolarHBondContact O-N 2.97Å; R621-R624 PolarHBondContact O-N 3.34Å; R621-A625 WeakPolarHBondContact O-CB 3.49Å; R621-A625 PolarHBondContact O-N 3.07Å
622R80.4Confident70.2Confident134 Ų13478.2 Ų78.251%0.50640%0.403SS..Hα-helixtrans-67.3-40.3178.5-71176.8-178.81701.9112.9E114 L170 N618 M619 R624 A625 A626E114-R622 IonicContact OE1-NH1 3.24Å; E114-R622 PolarHBondContact OE1-NH1 3.17Å; L170-R622 HydrophobicContact CD1-CB 4.11Å; N618-R622 WeakPolarHBondContact O-CG 3.46Å; N618-R622 PolarHBondContact O-N 2.91Å; M619-R622 PolarHBondContact O-N 3.29Å; R622-R624 VanDerWaalsContact C-N 3.33Å; R622-A625 PolarHBondContact O-N 3Å; R622-A626 WeakPolarHBondContact O-CB 3.4Å; R622-A626 PolarHBondContact O-N 3.34Å
623T74.4Confident68.7Low21 Ų2179.6 Ų79.613%0.12941%0.411CS..Hα-helixtrans-65.4-36.1175.251.50000112L170 M619 I620L170-T623 HydrophobicContact CB-CG2 4.17Å; L170-T623 HydrophobicContact CD2-CG2 3.45Å; L170-T623 VanDerWaalsContact CD2-CG2 3.45Å; L170-T623 HydrophobicContact CG-CG2 4.41Å; M619-T623 WeakPolarHBondContact O-CG2 3.43Å; M619-T623 PolarHBondContact O-N 2.82Å; M619-T623 PolarHBondContact O-OG1 2.63Å; M619-T623 VanDerWaalsContact O-OG1 3.08Å; M619-T623 HydrophobicContact SD-CG2 3.97Å; I620-T623 WeakPolarHBondContact CA-OG1 3.3Å; I620-T623 PolarHBondContact O-OG1 3.36Å
624R77.6Confident67Low209 Ų20984.7 Ų84.779%0.78943%0.427SS*.Hα-helixtrans-68.3-35.5172.1-72179.7-172.9-178.93.3112.6I620 R621 R622I620-R624 WeakPolarHBondContact O-CB 3.22Å; I620-R624 VanDerWaalsContact O-CG 3.32Å; I620-R624 WeakPolarHBondContact O-CG 3.26Å; I620-R624 PolarHBondContact O-N 2.85Å; R621-R624 PolarHBondContact O-N 3.34Å; R622-R624 VanDerWaalsContact C-N 3.33Å
625A74.7Confident65.2Low82 Ų8284.6 Ų84.668%0.67842%0.417SS*.Hα-helixtrans-76.6-27.7177.600000113.3R621 R622 Q627R621-A625 WeakPolarHBondContact O-CB 3.49Å; R621-A625 PolarHBondContact O-N 3.07Å; R622-A625 PolarHBondContact O-N 3Å; A625-Q627 PolarHBondContact O-N 3.01Å
626A68.3Low63.8Low14 Ų1488.4 Ų88.412%0.11643%0.425CS..SBendtrans-69.5121.1179.100000110.2L170 R622L170-A626 HydrophobicContact CB-CB 4.35Å; R622-A626 WeakPolarHBondContact O-CB 3.4Å; R622-A626 PolarHBondContact O-N 3.34Å
627Q62.8Low62.1Low159 Ų15992.2 Ų92.274%0.74344%0.441SS*.  trans-59.6136.5172.2-74-176.6-15.700109.7A625 V629A625-Q627 PolarHBondContact O-N 3.01Å; Q627-V629 PolarHBondContact O-N 3.21Å
628P57.3Low60.3Low68 Ų6897.9 Ų97.944%0.44246%0.459SS..  trans-65.9103179.627.4-33.7000109.5I630P628-I630 PolarHBondContact O-N 2.96Å
629V54.9Low58.4Low59 Ų59102.7 Ų102.736%0.35848%0.477SS..  trans-78.5104.8166-177.70000105.6A171 Q627 I631A171-V629 HydrophobicContact CB-CB 3.97Å; A171-V629 HydrophobicContact CB-CG2 3.95Å; Q627-V629 PolarHBondContact O-N 3.21Å; V629-I631 VanDerWaalsContact C-N 3.33Å; V629-I631 PolarHBondContact O-N 3.33Å
630I46.9Very low56.3Low113 Ų113106.5 Ų106.558%0.57950%0.497SS*.  trans-63.2105.9164.4-55.5174.6000104.6P628 E632P628-I630 PolarHBondContact O-N 2.96Å; I630-E632 HydrophobicContact CG2-CG 3.85Å; I630-E632 PolarHBondContact O-N 3.16Å
631I46.1Very low54.2Low62 Ų62109.5 Ų109.532%0.31852%0.517SS..  trans-69.969.2166.8-51172.9000106.3V168 D172 V629V168-I631 HydrophobicContact CG1-CD1 3.86Å; V168-I631 HydrophobicContact CG1-CG1 4.44Å; D172-I631 HydrophobicContact CB-CD1 4.06Å; V629-I631 VanDerWaalsContact C-N 3.33Å; V629-I631 PolarHBondContact O-N 3.33Å
632E42.3Very low52.7Low109 Ų109105.3 Ų105.351%0.50952%0.516SS..  trans-66.7130.7147.5-78.1-171.3-173.500105.2I630 R634 D635I630-E632 HydrophobicContact CG2-CG 3.85Å; I630-E632 PolarHBondContact O-N 3.16Å; E632-R634 PolarHBondContact O-N 3.35Å; E632-D635 PolarHBondContact O-N 3.48Å
633N44.5Very low50.9Low128 Ų128107 Ų10768%0.68453%0.527SS*.THydrogen-bonded Turntrans-5718.6175.4-97.8-19.6000114.2Y636N633-Y636 WeakPolarHBondContact O-CE1 3.06Å
634R40.4Very low49.4Very low189 Ų189110 Ų11071%0.71354%0.54SS*.THydrogen-bonded Turntrans-100.7-28.1-179.6-67-174.7172.6-164.70.1113.2E632E632-R634 PolarHBondContact O-N 3.35Å
635D39.4Very low48Very low65 Ų65101.5 Ų101.535%0.34851%0.51SS..G310 helixtrans-85.3-19-167.6-83.8-30.2000116.5E632 K637 K638E632-D635 PolarHBondContact O-N 3.48Å; D635-K637 PolarHBondContact O-N 3.37Å; D635-K637 VanDerWaalsContact O-N 3.08Å; D635-K638 PolarHBondContact O-N 3.09Å; D635-K638 VanDerWaalsContact O-N 3.11Å; D635-K638 WeakPolarHBondContact OD1-CE 3.2Å; D635-K638 IonicContact OD1-NZ 2.86Å; D635-K638 PolarHBondContact OD1-NZ 3.38Å
636Y46.2Very low47Very low128 Ų128103.4 Ų103.450%0.50251%0.505SS..G310 helixtrans-61.6-20.3172.569.7-96.5000112.7N633 K638 F639N633-Y636 WeakPolarHBondContact O-CE1 3.06Å; Y636-K638 PolarHBondContact O-N 3.47Å; Y636-F639 PolarHBondContact O-N 3.03Å
637K40.6Very low46.4Very low80 Ų80107.8 Ų107.835%0.34853%0.525SS..G310 helixtrans-70.3-9.9178-63.5-178.5-179.7-179.80113.5D635 L645D635-K637 PolarHBondContact O-N 3.37Å; D635-K637 VanDerWaalsContact O-N 3.08Å; K637-L645 HydrophobicContact CB-CD1 4.17Å; K637-L645 WeakPolarHBondContact O-CD1 3.42Å
638K42.9Very low45.9Very low156 Ų156102.1 Ų102.168%0.67851%0.509SS*.G310 helixtrans-81.8-21177.7-73.4175.4176.5154.80113.4D635 Y636D635-K638 PolarHBondContact O-N 3.09Å; D635-K638 VanDerWaalsContact O-N 3.11Å; D635-K638 WeakPolarHBondContact OD1-CE 3.2Å; D635-K638 IonicContact OD1-NZ 2.86Å; D635-K638 PolarHBondContact OD1-NZ 3.38Å; Y636-K638 PolarHBondContact O-N 3.47Å
639F42.7Very low45.9Very low179 Ų179105.3 Ų105.379%0.78551%0.512SS*.SBendtrans-102.51.8-170.4-69.8-79.4000115.2Y636Y636-F639 PolarHBondContact O-N 3.03Å
640L37.9Very low46.4Very low81 Ų81110.9 Ų110.942%0.42453%0.527SS..SBendtrans-92.8135.1176.7-77.7155.9000110.7L645L640-L645 HydrophobicContact CB-CB 4.42Å; L640-L645 HydrophobicContact CB-CD1 3.63Å; L640-L645 HydrophobicContact CD1-CD1 3.82Å; L640-L645 HydrophobicContact CG-CD1 4.37Å
641P37.7Very low47.2Very low81 Ų81109.1 Ų109.153%0.52652%0.518SS..  trans-58.6141.8176.822.5-30.4000111.5K643 E644 L645P641-K643 VanDerWaalsContact C-N 3.29Å; P641-K643 PolarHBondContact O-N 2.94Å; P641-E644 HydrophobicContact CG-CG 4.43Å; P641-E644 WeakPolarHBondContact CG-OE2 3.44Å; P641-E644 PolarHBondContact O-N 2.87Å; P641-L645 PolarHBondContact O-N 3.21Å
642S47.7Very low47.9Very low95 Ų95109.1 Ų109.166%0.66452%0.523SS*.Hα-helixtrans-57.5-30.6-16058.10000115.7Q646S642-Q646 PolarHBondContact O-N 3.49Å
643K42.7Very low49Very low169 Ų169111.3 Ų111.374%0.73553%0.527SS*.Hα-helixtrans-74.5-39.1177.9-75.1-175.3176.2179.20113P641 Q646 I647P641-K643 VanDerWaalsContact C-N 3.29Å; P641-K643 PolarHBondContact O-N 2.94Å; K643-Q646 PolarHBondContact O-N 3.12Å; K643-I647 PolarHBondContact O-N 3.15Å
644E43.2Very low50Low84 Ų84109.7 Ų109.739%0.39352%0.518SS..Hα-helixtrans-72.6-35.3179-66.5-179.2169.900111.5L141 P641 Q646 I647 G648L141-E644 WeakPolarHBondContact CD2-OE1 3Å; P641-E644 HydrophobicContact CG-CG 4.43Å; P641-E644 WeakPolarHBondContact CG-OE2 3.44Å; P641-E644 PolarHBondContact O-N 2.87Å; E644-Q646 VanDerWaalsContact C-N 3.26Å; E644-Q646 PolarHBondContact O-N 2.82Å; E644-I647 PolarHBondContact O-N 2.98Å; E644-G648 PolarHBondContact O-N 3.25Å
645L49Very low51.2Low31 Ų31106.6 Ų106.616%0.16251%0.511CS..Hα-helixtrans-60.8-36173.8-159.190.3000111.8K637 L640 P641 R649K637-L645 HydrophobicContact CB-CD1 4.17Å; K637-L645 WeakPolarHBondContact O-CD1 3.42Å; L640-L645 HydrophobicContact CB-CB 4.42Å; L640-L645 HydrophobicContact CB-CD1 3.63Å; L640-L645 HydrophobicContact CD1-CD1 3.82Å; L640-L645 HydrophobicContact CG-CD1 4.37Å; P641-L645 PolarHBondContact O-N 3.21Å; L645-R649 VanDerWaalsContact CD2-CZ 3.44Å; L645-R649 HydrophobicContact CG-CG 4.49Å; L645-R649 WeakPolarHBondContact O-CB 3.21Å; L645-R649 WeakPolarHBondContact O-CD 3.29Å; L645-R649 WeakPolarHBondContact O-CG 3.38Å; L645-R649 PolarHBondContact O-N 3.1Å
646Q53.5Low52.8Low122 Ų122107.1 Ų107.157%0.5752%0.517SS*.Hα-helixtrans-70.9-43.2178.4-77.2-169.6-5.800112.4S642 K643 E644 R650S642-Q646 PolarHBondContact O-N 3.49Å; K643-Q646 PolarHBondContact O-N 3.12Å; E644-Q646 VanDerWaalsContact C-N 3.26Å; E644-Q646 PolarHBondContact O-N 2.82Å; Q646-R650 WeakPolarHBondContact O-CB 3.33Å; Q646-R650 VanDerWaalsContact O-CG 3.31Å; Q646-R650 WeakPolarHBondContact O-CG 3.38Å; Q646-R650 PolarHBondContact O-N 2.92Å
647I54.7Low54Low105 Ų105104.7 Ų104.754%0.53851%0.51SS..Hα-helixtrans-70.4-47-179.6-63.4163.3000110.1K643 E644 R649 R650 I651K643-I647 PolarHBondContact O-N 3.15Å; E644-I647 PolarHBondContact O-N 2.98Å; I647-R649 VanDerWaalsContact C-N 3.35Å; I647-R649 PolarHBondContact O-N 3.47Å; I647-R650 PolarHBondContact O-N 2.86Å; I647-R650 VanDerWaalsContact O-N 3.14Å; I647-I651 HydrophobicContact CG2-CD1 3.68Å; I647-I651 HydrophobicContact CG2-CG1 4.38Å; I647-I651 WeakPolarHBondContact O-CG1 3.18Å; I647-I651 PolarHBondContact O-N 3.49Å
648G54.1Low55Low40 Ų40103.9 Ų103.941%0.41251%0.508SS..Hα-helixtrans-61.3-40.7175.100000112.4E644 S652E644-G648 PolarHBondContact O-N 3.25Å; G648-S652 WeakPolarHBondContact O-CB 3.34Å; G648-S652 PolarHBondContact O-N 3.26Å
649R56.4Low56.1Low135 Ų13599.7 Ų99.751%0.50950%0.496SS..Hα-helixtrans-64.2-42.2171.8-79.8176.1-178.5-167.21.5111.8L645 I647 W653L645-R649 VanDerWaalsContact CD2-CZ 3.44Å; L645-R649 HydrophobicContact CG-CG 4.49Å; L645-R649 WeakPolarHBondContact O-CB 3.21Å; L645-R649 WeakPolarHBondContact O-CD 3.29Å; L645-R649 WeakPolarHBondContact O-CG 3.38Å; L645-R649 PolarHBondContact O-N 3.1Å; I647-R649 VanDerWaalsContact C-N 3.35Å; I647-R649 PolarHBondContact O-N 3.47Å; R649-W653 WeakPolarHBondContact O-CA 3.25Å; R649-W653 WeakPolarHBondContact O-CB 3.48Å; R649-W653 PolarHBondContact O-N 3.25Å
650R66.6Low57.5Low176 Ų17694.9 Ų94.966%0.66448%0.481SS*.Hα-helixtrans-64.4-44.5178.1-81.1179.4178.7-175.90.8111.4Q646 I647 W653 L654Q646-R650 WeakPolarHBondContact O-CB 3.33Å; Q646-R650 VanDerWaalsContact O-CG 3.31Å; Q646-R650 WeakPolarHBondContact O-CG 3.38Å; Q646-R650 PolarHBondContact O-N 2.92Å; I647-R650 PolarHBondContact O-N 2.86Å; I647-R650 VanDerWaalsContact O-N 3.14Å; R650-W653 PolarHBondContact O-N 3.09Å; R650-L654 WeakPolarHBondContact O-CB 3.25Å; R650-L654 WeakPolarHBondContact O-CD1 3.27Å; R650-L654 WeakPolarHBondContact O-CG 3.14Å; R650-L654 PolarHBondContact O-N 3.2Å
651I63.7Low59.1Low77 Ų7793.7 Ų93.740%0.39548%0.477SS..Hα-helixtrans-67.8-48.9178.7-64.8166.5000110.6I647 W653 L654 E655I647-I651 HydrophobicContact CG2-CD1 3.68Å; I647-I651 HydrophobicContact CG2-CG1 4.38Å; I647-I651 WeakPolarHBondContact O-CG1 3.18Å; I647-I651 PolarHBondContact O-N 3.49Å; I651-W653 VanDerWaalsContact C-N 3.3Å; I651-W653 PolarHBondContact O-N 3.5Å; I651-L654 CarbonylContact O-C 3.59Å; I651-L654 PolarHBondContact O-N 3.03Å; I651-E655 WeakPolarHBondContact O-CB 3.28Å; I651-E655 WeakPolarHBondContact O-CG 3.17Å; I651-E655 PolarHBondContact O-N 3.49Å
652S59.2Low60.3Low61 Ų6190.4 Ų90.443%0.42746%0.455SS..Hα-helixtrans-60.5-40.9175.6161.50000111.8G648 E655 V656G648-S652 WeakPolarHBondContact O-CB 3.34Å; G648-S652 PolarHBondContact O-N 3.26Å; S652-E655 PolarHBondContact O-N 2.94Å; S652-V656 WeakPolarHBondContact O-CB 3.47Å; S652-V656 WeakPolarHBondContact O-CG2 3.49Å; S652-V656 PolarHBondContact O-N 3.47Å
653W65.2Low61.3Low155 Ų15590.6 Ų90.659%0.58745%0.448SS*.Hα-helixtrans-69.7-39.7177.8-171.783.3000110.7R649 R650 I651 V656 Q657R649-W653 WeakPolarHBondContact O-CA 3.25Å; R649-W653 WeakPolarHBondContact O-CB 3.48Å; R649-W653 PolarHBondContact O-N 3.25Å; R650-W653 PolarHBondContact O-N 3.09Å; I651-W653 VanDerWaalsContact C-N 3.3Å; I651-W653 PolarHBondContact O-N 3.5Å; W653-V656 PolarHBondContact O-N 3.42Å; W653-Q657 HydrophobicContact CD2-CG 3.8Å; W653-Q657 HydrophobicContact CE3-CG 3.87Å; W653-Q657 HydrophobicContact CG-CG 4.45Å; W653-Q657 HydrophobicContact CH2-CG 3.95Å; W653-Q657 HydrophobicContact CZ2-CG 3.86Å; W653-Q657 HydrophobicContact CZ3-CG 3.95Å; W653-Q657 VanDerWaalsContact O-CB 3.27Å; W653-Q657 WeakPolarHBondContact O-CB 3.44Å; W653-Q657 WeakPolarHBondContact O-CG 3.47Å; W653-Q657 PolarHBondContact O-N 3.5Å
654L67.1Low62.6Low94 Ų9487.7 Ų87.749%0.49244%0.44SS..Hα-helixtrans-63-44171.7-78.7162.2000111.5R650 I651 Q657 M658R650-L654 WeakPolarHBondContact O-CB 3.25Å; R650-L654 WeakPolarHBondContact O-CD1 3.27Å; R650-L654 WeakPolarHBondContact O-CG 3.14Å; R650-L654 PolarHBondContact O-N 3.2Å; I651-L654 CarbonylContact O-C 3.59Å; I651-L654 PolarHBondContact O-N 3.03Å; L654-Q657 PolarHBondContact O-N 3.23Å; L654-M658 WeakPolarHBondContact O-CB 3.43Å; L654-M658 WeakPolarHBondContact O-CG 3.08Å; L654-M658 PolarHBondContact O-N 2.91Å
655E64.8Low63.4Low124 Ų12484.2 Ų84.258%0.57942%0.424SS*.Hα-helixtrans-60.9-45.4174.2-80.8-178.1168.100111.2I651 S652 M658 T659I651-E655 WeakPolarHBondContact O-CB 3.28Å; I651-E655 WeakPolarHBondContact O-CG 3.17Å; I651-E655 PolarHBondContact O-N 3.49Å; S652-E655 PolarHBondContact O-N 2.94Å; E655-M658 PolarHBondContact O-N 3.07Å; E655-T659 VanDerWaalsContact O-CB 3.23Å; E655-T659 WeakPolarHBondContact O-CB 3.13Å; E655-T659 PolarHBondContact O-N 3.12Å; E655-T659 PolarHBondContact O-OG1 3.13Å
656V72.3Confident63.9Low77 Ų7783.5 Ų83.547%0.46742%0.422SS..Hα-helixtrans-65.1-45.2176.9170.20000110.5S652 W653 M658 T659 V660S652-V656 WeakPolarHBondContact O-CB 3.47Å; S652-V656 WeakPolarHBondContact O-CG2 3.49Å; S652-V656 PolarHBondContact O-N 3.47Å; W653-V656 PolarHBondContact O-N 3.42Å; V656-M658 PolarHBondContact O-N 3.33Å; V656-T659 PolarHBondContact O-N 3.22Å; V656-V660 HydrophobicContact CG1-CG2 4.19Å; V656-V660 VanDerWaalsContact O-CB 3.26Å; V656-V660 WeakPolarHBondContact O-CB 3.41Å; V656-V660 WeakPolarHBondContact O-CG2 3.32Å; V656-V660 PolarHBondContact O-N 3.05Å
657Q71.6Confident64.5Low77 Ų7780.2 Ų80.236%0.3641%0.412SS..Hα-helixtrans-60.6-45.9175.7-73.1-65.3-4200110.6W653 L654 V660 V661W653-Q657 HydrophobicContact CD2-CG 3.8Å; W653-Q657 HydrophobicContact CE3-CG 3.87Å; W653-Q657 HydrophobicContact CG-CG 4.45Å; W653-Q657 HydrophobicContact CH2-CG 3.95Å; W653-Q657 HydrophobicContact CZ2-CG 3.86Å; W653-Q657 HydrophobicContact CZ3-CG 3.95Å; W653-Q657 VanDerWaalsContact O-CB 3.27Å; W653-Q657 WeakPolarHBondContact O-CB 3.44Å; W653-Q657 WeakPolarHBondContact O-CG 3.47Å; W653-Q657 PolarHBondContact O-N 3.5Å; L654-Q657 PolarHBondContact O-N 3.23Å; Q657-V660 PolarHBondContact O-N 3.13Å; Q657-V661 WeakPolarHBondContact O-CB 3.32Å; Q657-V661 WeakPolarHBondContact O-CG2 3.43Å; Q657-V661 PolarHBondContact O-N 2.79Å
658M62.6Low64.9Low62 Ų6278.4 Ų78.431%0.30540%0.403SS..Hα-helixtrans-67.4-37.5177.7-72.4-169.182.700112.1Y43 L654 E655 V656 L662Y43-M658 HydrophobicContact CD1-CE 3.44Å; Y43-M658 VanDerWaalsContact CD1-CE 3.44Å; Y43-M658 HydrophobicContact CD2-CE 3.75Å; Y43-M658 HydrophobicContact CE1-CE 3.19Å; Y43-M658 HydrophobicContact CE1-SD 3.75Å; Y43-M658 HydrophobicContact CE2-CE 3.53Å; Y43-M658 HydrophobicContact CE2-SD 4.33Å; Y43-M658 HydrophobicContact CG-CE 3.7Å; Y43-M658 PolarHBondContact OH-SD 3.07Å; L654-M658 WeakPolarHBondContact O-CB 3.43Å; L654-M658 WeakPolarHBondContact O-CG 3.08Å; L654-M658 PolarHBondContact O-N 2.91Å; E655-M658 PolarHBondContact O-N 3.07Å; V656-M658 PolarHBondContact O-N 3.33Å; M658-L662 WeakPolarHBondContact O-CA 3.41Å; M658-L662 WeakPolarHBondContact O-CB 3.36Å; M658-L662 PolarHBondContact O-N 3.23Å
659T65.7Low65.2Low69 Ų6977.2 Ų77.242%0.42339%0.387SS..Hα-helixtrans-68.8-43.1176.4-53.30000110.4E655 V656 L662 L663E655-T659 VanDerWaalsContact O-CB 3.23Å; E655-T659 WeakPolarHBondContact O-CB 3.13Å; E655-T659 PolarHBondContact O-N 3.12Å; E655-T659 PolarHBondContact O-OG1 3.13Å; V656-T659 PolarHBondContact O-N 3.22Å; T659-L662 PolarHBondContact O-N 3.35Å; T659-L663 WeakPolarHBondContact O-CB 3.32Å; T659-L663 PolarHBondContact O-N 3.06Å
660V72.6Confident65.7Low77 Ų7775.3 Ų75.347%0.46739%0.386SS..Hα-helixtrans-63.8-46.1174.9169.10000110V656 Q657 L663 L664V656-V660 HydrophobicContact CG1-CG2 4.19Å; V656-V660 VanDerWaalsContact O-CB 3.26Å; V656-V660 WeakPolarHBondContact O-CB 3.41Å; V656-V660 WeakPolarHBondContact O-CG2 3.32Å; V656-V660 PolarHBondContact O-N 3.05Å; Q657-V660 PolarHBondContact O-N 3.13Å; V660-L663 PolarHBondContact O-N 3.05Å; V660-L664 WeakPolarHBondContact O-CB 3.48Å; V660-L664 PolarHBondContact O-N 2.9Å
661V71.2Confident65.7Low56 Ų5672 Ų7234%0.33938%0.38SS..Hα-helixtrans-63-43.6176.7168.80000110.3F40 Q657 L664 T665F40-V661 HydrophobicContact CD1-CG1 4.38Å; F40-V661 HydrophobicContact CE1-CG1 4.13Å; Q657-V661 WeakPolarHBondContact O-CB 3.32Å; Q657-V661 WeakPolarHBondContact O-CG2 3.43Å; Q657-V661 PolarHBondContact O-N 2.79Å; V661-L664 CarbonylContact O-C 3.6Å; V661-L664 PolarHBondContact O-N 3.27Å; V661-T665 HydrophobicContact CG1-CG2 4.37Å; V661-T665 WeakPolarHBondContact O-CG2 3.4Å; V661-T665 PolarHBondContact O-N 2.81Å; V661-T665 PolarHBondContact O-OG1 3.4Å
662L63.3Low65.4Low13 Ų1369.9 Ų69.97%0.06837%0.371CS..Hα-helixtrans-66.8-41.7179.3-166126000111.5F40 P44 H315 M658 T659 L664 T665 C666F40-L662 VanDerWaalsContact O-CD1 3.24Å; F40-L662 WeakPolarHBondContact O-CD1 3.46Å; P44-L662 HydrophobicContact CG-CD1 3.85Å; H315-L662 HydrophobicContact CB-CD2 4.27Å; H315-L662 VanDerWaalsContact CE1-CD2 3.45Å; H315-L662 WeakPolarHBondContact CE1-CD2 3.33Å; H315-L662 VanDerWaalsContact CG-CD2 3.47Å; H315-L662 WeakPolarHBondContact ND1-CD2 3.49Å; H315-L662 WeakPolarHBondContact NE2-CD2 3.37Å; M658-L662 WeakPolarHBondContact O-CA 3.41Å; M658-L662 WeakPolarHBondContact O-CB 3.36Å; M658-L662 PolarHBondContact O-N 3.23Å; T659-L662 PolarHBondContact O-N 3.35Å; L662-L664 VanDerWaalsContact C-N 3.3Å; L662-L664 PolarHBondContact O-N 2.8Å; L662-T665 VanDerWaalsContact CA-OG1 3.25Å; L662-T665 WeakPolarHBondContact CA-OG1 3.44Å; L662-T665 PolarHBondContact O-N 3.33Å; L662-T665 PolarHBondContact O-OG1 2.78Å; L662-C666 VanDerWaalsContact O-CB 3.31Å; L662-C666 WeakPolarHBondContact O-CB 3.37Å; L662-C666 PolarHBondContact O-N 3.47Å; L662-C666 PolarHBondContact O-SG 3.3Å; L662-C666 VanDerWaalsContact O-SG 3.38Å
663L68.3Low65.1Low99 Ų9968.5 Ų68.552%0.51836%0.363SS..Hα-helixtrans-64.1-38.7172.6-166.5131.9000110.5T659 V660 C666 C667T659-L663 WeakPolarHBondContact O-CB 3.32Å; T659-L663 PolarHBondContact O-N 3.06Å; V660-L663 PolarHBondContact O-N 3.05Å; L663-C666 PolarHBondContact O-N 3.47Å; L663-C667 WeakPolarHBondContact O-CB 3.41Å; L663-C667 PolarHBondContact O-N 3.38Å; L663-C667 PolarHBondContact O-SG 2.84Å
664L69.8Low65Low107 Ų10766.2 Ų66.256%0.5636%0.361SS*.Hα-helixtrans-69.5-35.7176.2-159.9141.8000111.6V660 V661 L662 C667 L668V660-L664 WeakPolarHBondContact O-CB 3.48Å; V660-L664 PolarHBondContact O-N 2.9Å; V661-L664 CarbonylContact O-C 3.6Å; V661-L664 PolarHBondContact O-N 3.27Å; L662-L664 VanDerWaalsContact C-N 3.3Å; L662-L664 PolarHBondContact O-N 2.8Å; L664-C667 CarbonylContact O-C 3.48Å; L664-L668 WeakPolarHBondContact O-CB 3.42Å; L664-L668 PolarHBondContact O-N 3.33Å
665T59.6Low64.3Low11 Ų1167.5 Ų67.57%0.06736%0.363CS..Hα-helixtrans-73.8-36.7172.954.20000112.3M37 V661 L662 L668 F669M37-T665 HydrophobicContact CE-CG2 3.97Å; M37-T665 HydrophobicContact SD-CG2 4.26Å; V661-T665 HydrophobicContact CG1-CG2 4.37Å; V661-T665 WeakPolarHBondContact O-CG2 3.4Å; V661-T665 PolarHBondContact O-N 2.81Å; V661-T665 PolarHBondContact O-OG1 3.4Å; L662-T665 VanDerWaalsContact CA-OG1 3.25Å; L662-T665 WeakPolarHBondContact CA-OG1 3.44Å; L662-T665 PolarHBondContact O-N 3.33Å; L662-T665 PolarHBondContact O-OG1 2.78Å; T665-L668 CarbonylContact O-C 3.59Å; T665-L668 PolarHBondContact O-N 2.92Å; T665-F669 VanDerWaalsContact O-CB 3.22Å; T665-F669 WeakPolarHBondContact O-CB 3.38Å; T665-F669 PolarHBondContact O-N 2.91Å
666C60.7Low63.7Low16 Ų1663.2 Ų63.211%0.10834%0.344CS..Hα-helixtrans-65.3-42.9171.2-79.90000110.3L41 L662 L663 L668 F669 L670L41-C666 WeakPolarHBondContact CD2-SG 3.49Å; L662-C666 VanDerWaalsContact O-CB 3.31Å; L662-C666 WeakPolarHBondContact O-CB 3.37Å; L662-C666 PolarHBondContact O-N 3.47Å; L662-C666 PolarHBondContact O-SG 3.3Å; L662-C666 VanDerWaalsContact O-SG 3.38Å; L663-C666 PolarHBondContact O-N 3.47Å; C666-L668 VanDerWaalsContact C-N 3.33Å; C666-F669 PolarHBondContact O-N 3.3Å; C666-L670 VanDerWaalsContact O-CB 3.25Å; C666-L670 WeakPolarHBondContact O-CB 3.03Å; C666-L670 VanDerWaalsContact O-CG 3.29Å; C666-L670 WeakPolarHBondContact O-CG 3.24Å; C666-L670 PolarHBondContact O-N 3.46Å
667C64.7Low62.6Low54 Ų5464 Ų6437%0.36534%0.341SS..Hα-helixtrans-63-40.2171.3-75.30000110.6L663 L664 L670 I671L663-C667 WeakPolarHBondContact O-CB 3.41Å; L663-C667 PolarHBondContact O-N 3.38Å; L663-C667 PolarHBondContact O-SG 2.84Å; L664-C667 CarbonylContact O-C 3.48Å; C667-L670 CarbonylContact O-C 3.54Å; C667-L670 PolarHBondContact O-N 3.37Å; C667-I671 WeakPolarHBondContact O-CA 3.19Å; C667-I671 WeakPolarHBondContact O-CB 3.27Å; C667-I671 VanDerWaalsContact O-CD1 3.3Å; C667-I671 WeakPolarHBondContact O-CD1 3.22Å; C667-I671 WeakPolarHBondContact O-CG1 3.26Å; C667-I671 PolarHBondContact O-N 2.77Å
668L63.5Low61.7Low66 Ų6663.6 Ų63.635%0.34634%0.337SS..Hα-helixtrans-70.6-37.3178.2-161.6146000111.2L664 T665 C666 I671 V672L664-L668 WeakPolarHBondContact O-CB 3.42Å; L664-L668 PolarHBondContact O-N 3.33Å; T665-L668 CarbonylContact O-C 3.59Å; T665-L668 PolarHBondContact O-N 2.92Å; C666-L668 VanDerWaalsContact C-N 3.33Å; L668-I671 CarbonylContact O-C 3.52Å; L668-I671 PolarHBondContact O-N 2.72Å; L668-V672 HydrophobicContact CD2-CG2 3.95Å; L668-V672 VanDerWaalsContact O-CB 3.29Å; L668-V672 WeakPolarHBondContact O-CB 3.28Å; L668-V672 WeakPolarHBondContact O-CG2 3.44Å; L668-V672 PolarHBondContact O-N 3.43Å
669F61.6Low61Low16 Ų1663.2 Ų63.27%0.0734%0.338CS..Hα-helixtrans-63.5-46.6171.1177.1-89.5000111M308 V406 Y410 T665 C666 V672 A673M308-F669 HydrophobicContact CE-CE2 3.92Å; M308-F669 HydrophobicContact CE-CZ 4.28Å; M308-F669 HydrophobicContact SD-CE2 4.42Å; V406-F669 HydrophobicContact CG1-CE1 3.64Å; V406-F669 HydrophobicContact CG1-CZ 3.8Å; Y410-F669 HydrophobicContact CD1-CD2 4.48Å; Y410-F669 AromaticContact CD1-CE2 3.83Å; Y410-F669 HydrophobicContact CD1-CE2 3.83Å; Y410-F669 AromaticContact CD2-CD2 3.79Å; Y410-F669 HydrophobicContact CD2-CD2 3.79Å; Y410-F669 AromaticContact CD2-CE2 3.38Å; Y410-F669 HydrophobicContact CD2-CE2 3.38Å; Y410-F669 HydrophobicContact CD2-CZ 4.3Å; Y410-F669 HydrophobicContact CE1-CE2 4.35Å; Y410-F669 AromaticContact CE2-CD2 3.9Å; Y410-F669 HydrophobicContact CE2-CD2 3.9Å; Y410-F669 AromaticContact CE2-CE2 3.96Å; Y410-F669 HydrophobicContact CE2-CE2 3.96Å; Y410-F669 HydrophobicContact CG-CD2 4.1Å; Y410-F669 AromaticContact CG-CE2 3.31Å; Y410-F669 HydrophobicContact CG-CE2 3.31Å; Y410-F669 HydrophobicContact CG-CZ 4.14Å; T665-F669 VanDerWaalsContact O-CB 3.22Å; T665-F669 WeakPolarHBondContact O-CB 3.38Å; T665-F669 PolarHBondContact O-N 2.91Å; C666-F669 PolarHBondContact O-N 3.3Å; F669-V672 CarbonylContact O-C 3.54Å; F669-V672 PolarHBondContact O-N 3.24Å; F669-A673 WeakPolarHBondContact O-CB 3.26Å; F669-A673 PolarHBondContact O-N 2.8Å
670L66Low60Low95 Ų9560.4 Ų60.450%0.49732%0.321SS..Hα-helixtrans-64.8-39.4173.9-78.2168.7000111C666 C667 A673 I674C666-L670 VanDerWaalsContact O-CB 3.25Å; C666-L670 WeakPolarHBondContact O-CB 3.03Å; C666-L670 VanDerWaalsContact O-CG 3.29Å; C666-L670 WeakPolarHBondContact O-CG 3.24Å; C666-L670 PolarHBondContact O-N 3.46Å; C667-L670 CarbonylContact O-C 3.54Å; C667-L670 PolarHBondContact O-N 3.37Å; L670-A673 PolarHBondContact O-N 3.18Å; L670-I674 HydrophobicContact CB-CD1 4.45Å; L670-I674 WeakPolarHBondContact O-CA 3.32Å; L670-I674 WeakPolarHBondContact O-CB 3.4Å; L670-I674 WeakPolarHBondContact O-CD1 3.49Å; L670-I674 WeakPolarHBondContact O-CG1 3.44Å; L670-I674 PolarHBondContact O-N 3.44Å
671I66.4Low58.7Low106 Ų10661.4 Ų61.454%0.54432%0.319SS..Hα-helixtrans-66.9-39.8175.5-73.9160.5000109.3C667 L668 I674 F675C667-I671 WeakPolarHBondContact O-CA 3.19Å; C667-I671 WeakPolarHBondContact O-CB 3.27Å; C667-I671 VanDerWaalsContact O-CD1 3.3Å; C667-I671 WeakPolarHBondContact O-CD1 3.22Å; C667-I671 WeakPolarHBondContact O-CG1 3.26Å; C667-I671 PolarHBondContact O-N 2.77Å; L668-I671 CarbonylContact O-C 3.52Å; L668-I671 PolarHBondContact O-N 2.72Å; I671-I674 CarbonylContact O-C 3.56Å; I671-F675 VanDerWaalsContact O-CA 3.27Å; I671-F675 WeakPolarHBondContact O-CA 3.18Å; I671-F675 WeakPolarHBondContact O-CB 3.36Å; I671-F675 PolarHBondContact O-N 2.79Å
672V56.6Low57.4Low32 Ų3262 Ų6219%0.19432%0.319CS..Hα-helixtrans-70.3-39.6176168.70000110.2F414 L668 F669 F675 I676F414-V672 HydrophobicContact CE2-CG1 4.04Å; F414-V672 HydrophobicContact CZ-CG1 3.69Å; L668-V672 HydrophobicContact CD2-CG2 3.95Å; L668-V672 VanDerWaalsContact O-CB 3.29Å; L668-V672 WeakPolarHBondContact O-CB 3.28Å; L668-V672 WeakPolarHBondContact O-CG2 3.44Å; L668-V672 PolarHBondContact O-N 3.43Å; F669-V672 CarbonylContact O-C 3.54Å; F669-V672 PolarHBondContact O-N 3.24Å; V672-F675 CarbonylContact O-C 3.53Å; V672-F675 PolarHBondContact O-N 3.06Å; V672-I676 HydrophobicContact CG1-CD1 3.86Å; V672-I676 HydrophobicContact CG1-CG1 4.44Å; V672-I676 WeakPolarHBondContact O-CB 3.45Å; V672-I676 WeakPolarHBondContact O-CD1 3.32Å; V672-I676 WeakPolarHBondContact O-CG1 3.42Å; V672-I676 PolarHBondContact O-N 3.2Å
673A54.6Low55.9Low32 Ų3262.1 Ų62.126%0.26432%0.324SS..Hα-helixtrans-66.9-46.8175.600000110.8F669 L670 F675 I676 F677F669-A673 WeakPolarHBondContact O-CB 3.26Å; F669-A673 PolarHBondContact O-N 2.8Å; L670-A673 PolarHBondContact O-N 3.18Å; A673-F675 VanDerWaalsContact C-N 3.28Å; A673-F675 PolarHBondContact O-N 3.32Å; A673-I676 PolarHBondContact O-N 3.46Å; A673-F677 VanDerWaalsContact O-CB 3.3Å; A673-F677 WeakPolarHBondContact O-CB 3.28Å; A673-F677 PolarHBondContact O-N 3.05Å
674I62.2Low54.4Low108 Ų10859.6 Ų59.655%0.55432%0.323SS*.Hα-helixtrans-64.5-32171.2-68.8163.2000110.1L670 I671 F677 Y678L670-I674 HydrophobicContact CB-CD1 4.45Å; L670-I674 WeakPolarHBondContact O-CA 3.32Å; L670-I674 WeakPolarHBondContact O-CB 3.4Å; L670-I674 WeakPolarHBondContact O-CD1 3.49Å; L670-I674 WeakPolarHBondContact O-CG1 3.44Å; L670-I674 PolarHBondContact O-N 3.44Å; I671-I674 CarbonylContact O-C 3.56Å; I674-F677 CarbonylContact O-C 3.59Å; I674-F677 PolarHBondContact O-N 3.47Å; I674-Y678 VanDerWaalsContact O-CA 3.3Å; I674-Y678 WeakPolarHBondContact O-CA 3.32Å; I674-Y678 WeakPolarHBondContact O-CB 3.38Å; I674-Y678 PolarHBondContact O-N 3.49Å
675F53.4Low52.8Low121 Ų12162.1 Ų62.153%0.53133%0.325SS..Hα-helixtrans-77-36.1177.6176.9-98.4000110.3I671 V672 A673 Y678 V679I671-F675 VanDerWaalsContact O-CA 3.27Å; I671-F675 WeakPolarHBondContact O-CA 3.18Å; I671-F675 WeakPolarHBondContact O-CB 3.36Å; I671-F675 PolarHBondContact O-N 2.79Å; V672-F675 CarbonylContact O-C 3.53Å; V672-F675 PolarHBondContact O-N 3.06Å; A673-F675 VanDerWaalsContact C-N 3.28Å; A673-F675 PolarHBondContact O-N 3.32Å; F675-Y678 CarbonylContact O-C 3.54Å; F675-Y678 PolarHBondContact O-N 3.02Å; F675-V679 HydrophobicContact CD1-CG2 4Å; F675-V679 HydrophobicContact CD2-CG2 4.24Å; F675-V679 HydrophobicContact CE1-CG2 3.59Å; F675-V679 HydrophobicContact CE2-CG2 3.85Å; F675-V679 HydrophobicContact CG-CG2 4.31Å; F675-V679 HydrophobicContact CZ-CG2 3.51Å; F675-V679 WeakPolarHBondContact O-CB 3.48Å; F675-V679 WeakPolarHBondContact O-CG2 3.18Å; F675-V679 PolarHBondContact O-N 3.34Å
676I50.4Low51.4Low33 Ų3366.9 Ų66.917%0.16935%0.349CS..Hα-helixtrans-65.2-45.7168.3-71162.9000108.2F409 F414 V672 A673 Y678 V679 C680F409-I676 HydrophobicContact CE1-CG2 4.45Å; F414-I676 HydrophobicContact CE2-CD1 3.72Å; F414-I676 HydrophobicContact CZ-CD1 4.04Å; V672-I676 HydrophobicContact CG1-CD1 3.86Å; V672-I676 HydrophobicContact CG1-CG1 4.44Å; V672-I676 WeakPolarHBondContact O-CB 3.45Å; V672-I676 WeakPolarHBondContact O-CD1 3.32Å; V672-I676 WeakPolarHBondContact O-CG1 3.42Å; V672-I676 PolarHBondContact O-N 3.2Å; A673-I676 PolarHBondContact O-N 3.46Å; I676-Y678 VanDerWaalsContact C-N 3.3Å; I676-Y678 PolarHBondContact O-N 2.95Å; I676-V679 PolarHBondContact O-N 2.6Å; I676-C680 WeakPolarHBondContact O-CB 3.45Å; I676-C680 PolarHBondContact O-N 2.73Å; I676-C680 PolarHBondContact O-SG 3.05Å
677F50.9Low49.8Very low93 Ų9370.5 Ų70.541%0.40837%0.374SS..Hα-helixtrans-60.8-41.5174.1-130.8-92.9000111.1F375 A673 I674 C680 F681F375-F677 HydrophobicContact CE1-CE2 4.24Å; A673-F677 VanDerWaalsContact O-CB 3.3Å; A673-F677 WeakPolarHBondContact O-CB 3.28Å; A673-F677 PolarHBondContact O-N 3.05Å; I674-F677 CarbonylContact O-C 3.59Å; I674-F677 PolarHBondContact O-N 3.47Å; F677-C680 CarbonylContact O-C 3.39Å; F677-C680 PolarHBondContact O-N 3.01Å; F677-F681 HydrophobicContact CD1-CB 4.47Å; F677-F681 AromaticContact CD1-CD2 3.24Å; F677-F681 HydrophobicContact CD1-CD2 3.24Å; F677-F681 AromaticContact CD1-CE2 3.61Å; F677-F681 HydrophobicContact CD1-CE2 3.61Å; F677-F681 AromaticContact CD1-CG 4Å; F677-F681 HydrophobicContact CD1-CG 4Å; F677-F681 HydrophobicContact CD2-CD2 4.4Å; F677-F681 HydrophobicContact CD2-CE2 4.21Å; F677-F681 AromaticContact CE1-CD2 3.34Å; F677-F681 HydrophobicContact CE1-CD2 3.34Å; F677-F681 HydrophobicContact CE1-CE1 4.48Å; F677-F681 AromaticContact CE1-CE2 3.25Å; F677-F681 HydrophobicContact CE1-CE2 3.25Å; F677-F681 HydrophobicContact CE1-CG 4.03Å; F677-F681 AromaticContact CE1-CZ 3.87Å; F677-F681 HydrophobicContact CE1-CZ 3.87Å; F677-F681 HydrophobicContact CE2-CD2 4.47Å; F677-F681 AromaticContact CE2-CE2 3.9Å; F677-F681 HydrophobicContact CE2-CE2 3.9Å; F677-F681 AromaticContact CG-CD2 3.82Å; F677-F681 HydrophobicContact CG-CD2 3.82Å; F677-F681 HydrophobicContact CG-CE2 4.08Å; F677-F681 AromaticContact CZ-CD2 3.99Å; F677-F681 HydrophobicContact CZ-CD2 3.99Å; F677-F681 AromaticContact CZ-CE2 3.41Å; F677-F681 HydrophobicContact CZ-CE2 3.41Å; F677-F681 VanDerWaalsContact CZ-CE2 3.41Å; F677-F681 AromaticContact CZ-CZ 3.95Å; F677-F681 HydrophobicContact CZ-CZ 3.95Å; F677-F681 WeakPolarHBondContact O-CA 3.15Å; F677-F681 WeakPolarHBondContact O-CB 3.4Å; F677-F681 VanDerWaalsContact O-CD2 3.29Å; F677-F681 WeakPolarHBondContact O-CD2 3.15Å; F677-F681 PolarHBondContact O-N 3.28Å
678Y50.8Low48Very low69 Ų6972.2 Ų72.227%0.27139%0.386SS..Hα-helixtrans-66.2-59.8178.1177.1-89.8000106.5I674 F675 I676 C680 F681 I682 G683I674-Y678 VanDerWaalsContact O-CA 3.3Å; I674-Y678 WeakPolarHBondContact O-CA 3.32Å; I674-Y678 WeakPolarHBondContact O-CB 3.38Å; I674-Y678 PolarHBondContact O-N 3.49Å; F675-Y678 CarbonylContact O-C 3.54Å; F675-Y678 PolarHBondContact O-N 3.02Å; I676-Y678 VanDerWaalsContact C-N 3.3Å; I676-Y678 PolarHBondContact O-N 2.95Å; Y678-C680 PolarHBondContact O-N 2.98Å; Y678-C680 VanDerWaalsContact O-N 3.07Å; Y678-F681 PolarHBondContact O-N 2.69Å; Y678-I682 HydrophobicContact CD2-CB 3.46Å; Y678-I682 VanDerWaalsContact CD2-CB 3.46Å; Y678-I682 HydrophobicContact CD2-CD1 3.77Å; Y678-I682 HydrophobicContact CD2-CG1 4.16Å; Y678-I682 HydrophobicContact CD2-CG2 3.52Å; Y678-I682 HydrophobicContact CE2-CB 3.68Å; Y678-I682 HydrophobicContact CE2-CD1 4.41Å; Y678-I682 HydrophobicContact CE2-CG2 3.17Å; Y678-I682 HydrophobicContact CG-CB 3.97Å; Y678-I682 HydrophobicContact CG-CG2 4.39Å; Y678-I682 CarbonylContact O-C 3.59Å; Y678-I682 VanDerWaalsContact O-CA 3.28Å; Y678-I682 WeakPolarHBondContact O-CA 3.24Å; Y678-I682 PolarHBondContact O-N 3.24Å; Y678-G683 PolarHBondContact O-N 3.29Å
679V48.4Very low46.1Very low54 Ų5480.6 Ų80.633%0.32741%0.414SS..Hα-helixtrans-51.5-37.5175.51730000112.8A15 F675 I676A15-V679 HydrophobicContact CB-CG1 4.09Å; F675-V679 HydrophobicContact CD1-CG2 4Å; F675-V679 HydrophobicContact CD2-CG2 4.24Å; F675-V679 HydrophobicContact CE1-CG2 3.59Å; F675-V679 HydrophobicContact CE2-CG2 3.85Å; F675-V679 HydrophobicContact CG-CG2 4.31Å; F675-V679 HydrophobicContact CZ-CG2 3.51Å; F675-V679 WeakPolarHBondContact O-CB 3.48Å; F675-V679 WeakPolarHBondContact O-CG2 3.18Å; F675-V679 PolarHBondContact O-N 3.34Å; I676-V679 PolarHBondContact O-N 2.6Å
680C44.9Very low44.3Very low11 Ų1186.7 Ų86.77%0.07444%0.44CS..Hα-helixtrans-78.6-29.5177.9-710000114.9V12 I676 F677 Y678V12-C680 HydrophobicContact CG2-CB 4.49Å; I676-C680 WeakPolarHBondContact O-CB 3.45Å; I676-C680 PolarHBondContact O-N 2.73Å; I676-C680 PolarHBondContact O-SG 3.05Å; F677-C680 CarbonylContact O-C 3.39Å; F677-C680 PolarHBondContact O-N 3.01Å; Y678-C680 PolarHBondContact O-N 2.98Å; Y678-C680 VanDerWaalsContact O-N 3.07Å
681F46.4Very low42.6Very low98 Ų9885.7 Ų85.743%0.4344%0.441SS..Hα-helixtrans-118.9-22.6-172.7-73.7-88.9000114.5F677 Y678F677-F681 HydrophobicContact CD1-CB 4.47Å; F677-F681 AromaticContact CD1-CD2 3.24Å; F677-F681 HydrophobicContact CD1-CD2 3.24Å; F677-F681 AromaticContact CD1-CE2 3.61Å; F677-F681 HydrophobicContact CD1-CE2 3.61Å; F677-F681 AromaticContact CD1-CG 4Å; F677-F681 HydrophobicContact CD1-CG 4Å; F677-F681 HydrophobicContact CD2-CD2 4.4Å; F677-F681 HydrophobicContact CD2-CE2 4.21Å; F677-F681 AromaticContact CE1-CD2 3.34Å; F677-F681 HydrophobicContact CE1-CD2 3.34Å; F677-F681 HydrophobicContact CE1-CE1 4.48Å; F677-F681 AromaticContact CE1-CE2 3.25Å; F677-F681 HydrophobicContact CE1-CE2 3.25Å; F677-F681 HydrophobicContact CE1-CG 4.03Å; F677-F681 AromaticContact CE1-CZ 3.87Å; F677-F681 HydrophobicContact CE1-CZ 3.87Å; F677-F681 HydrophobicContact CE2-CD2 4.47Å; F677-F681 AromaticContact CE2-CE2 3.9Å; F677-F681 HydrophobicContact CE2-CE2 3.9Å; F677-F681 AromaticContact CG-CD2 3.82Å; F677-F681 HydrophobicContact CG-CD2 3.82Å; F677-F681 HydrophobicContact CG-CE2 4.08Å; F677-F681 AromaticContact CZ-CD2 3.99Å; F677-F681 HydrophobicContact CZ-CD2 3.99Å; F677-F681 AromaticContact CZ-CE2 3.41Å; F677-F681 HydrophobicContact CZ-CE2 3.41Å; F677-F681 VanDerWaalsContact CZ-CE2 3.41Å; F677-F681 AromaticContact CZ-CZ 3.95Å; F677-F681 HydrophobicContact CZ-CZ 3.95Å; F677-F681 WeakPolarHBondContact O-CA 3.15Å; F677-F681 WeakPolarHBondContact O-CB 3.4Å; F677-F681 VanDerWaalsContact O-CD2 3.29Å; F677-F681 WeakPolarHBondContact O-CD2 3.15Å; F677-F681 PolarHBondContact O-N 3.28Å; Y678-F681 PolarHBondContact O-N 2.69Å
682I42.8Very low40.9Very low67 Ų6786.4 Ų86.434%0.34445%0.454SS..THydrogen-bonded Turntrans-132.9-41.4-168.8-52171000112.7Y678 G684 R685Y678-I682 HydrophobicContact CD2-CB 3.46Å; Y678-I682 VanDerWaalsContact CD2-CB 3.46Å; Y678-I682 HydrophobicContact CD2-CD1 3.77Å; Y678-I682 HydrophobicContact CD2-CG1 4.16Å; Y678-I682 HydrophobicContact CD2-CG2 3.52Å; Y678-I682 HydrophobicContact CE2-CB 3.68Å; Y678-I682 HydrophobicContact CE2-CD1 4.41Å; Y678-I682 HydrophobicContact CE2-CG2 3.17Å; Y678-I682 HydrophobicContact CG-CB 3.97Å; Y678-I682 HydrophobicContact CG-CG2 4.39Å; Y678-I682 CarbonylContact O-C 3.59Å; Y678-I682 VanDerWaalsContact O-CA 3.28Å; Y678-I682 WeakPolarHBondContact O-CA 3.24Å; Y678-I682 PolarHBondContact O-N 3.24Å; I682-G684 PolarHBondContact O-N 3.45Å; I682-G684 VanDerWaalsContact O-N 3.12Å; I682-R685 WeakPolarHBondContact O-CB 3.28Å; I682-R685 PolarHBondContact O-N 3.45Å
683G31.4Very low39.4Very low16 Ų1696.4 Ų96.417%0.16549%0.489CS..THydrogen-bonded Turntrans-731.4-176.900000114.8Y678Y678-G683 PolarHBondContact O-N 3.29Å
684G38Very low37.9Very low47 Ų47102.2 Ų102.249%0.48551%0.51SS..THydrogen-bonded Turntrans-66.1-24157.800000113.1I682 N686I682-G684 PolarHBondContact O-N 3.45Å; I682-G684 VanDerWaalsContact O-N 3.12Å; G684-N686 PolarHBondContact O-N 2.88Å
685R36.6Very low36.3Very low160 Ų160103 Ų10360%0.60451%0.506SS*.THydrogen-bonded Turntrans-77.7-18.8-176.7-76.1-176.1172.5174.5-3115.3I682I682-R685 WeakPolarHBondContact O-CB 3.28Å; I682-R685 PolarHBondContact O-N 3.45Å
686N29Very low35.1Very low110 Ų110107 Ų10759%0.58852%0.523SS*.THydrogen-bonded Turntrans-108.818.1-172.6-82.8-10.3000115.7G684 S688G684-N686 PolarHBondContact O-N 2.88Å; N686-S688 PolarHBondContact O-N 3.01Å
687C27.7Very low34Very low93 Ų93115.2 Ų115.263%0.62855%0.552SS**  trans-85.842.4168.7-74.50000112.9W689C687-W689 VanDerWaalsContact C-N 3.33Å
688S25.8Very low32.7Very low89 Ų89119.8 Ų119.862%0.62257%0.572SS**G310 helixtrans-82.3-0.9176.160.60000114.6N686N686-S688 PolarHBondContact O-N 3.01Å
689W25Very low31.5Very low242 Ų242121.7 Ų121.792%0.91760%0.596SS**G310 helixtrans-93.314.3-177.6-93.268.6000116.6C687C687-W689 VanDerWaalsContact C-N 3.33Å
690K23.6Very low30.6Very low144 Ų144123.2 Ų123.263%0.62661%0.607SS**G310 helixtrans-140.647.5174.1-72.5-167.3174.4179.40114.6C692K690-C692 VanDerWaalsContact C-N 3.31Å; K690-C692 PolarHBondContact O-N 3.25Å
691S28.9Very low29.8Very low75 Ų75126.9 Ų126.952%0.52463%0.631SS.*THydrogen-bonded Turntrans-85.843.4176.2-163.40000114.6W695S691-W695 PolarHBondContact O-NE1 2.84Å; S691-W695 PolarHBondContact OG-NE1 3.49Å
692C31Very low29.2Very low120 Ų120128.8 Ų128.881%0.81165%0.65SS**THydrogen-bonded Turntrans-125.5-2.4175.5-77.90000116.9K690K690-C692 VanDerWaalsContact C-N 3.31Å; K690-C692 PolarHBondContact O-N 3.25Å
693R25.5Very low28.5Very low243 Ų243132 Ų13292%0.91767%0.667SS**SBendtrans-128.6-4.3-175.8-97.3-172.6-176.6-171.21.5120
694E24.5Very low28.4Very low154 Ų154134.9 Ų134.972%0.7269%0.685SS**  trans-118.224.2177.5-72.7178.9176.100114.1K696E694-K696 PolarHBondContact O-N 2.78Å
695W26.9Very low28.1Very low125 Ų125137.6 Ų137.647%0.47370%0.695SS.*THydrogen-bonded Turntrans-63.511.2178.9-92.163000116.7S691 L980 L1001S691-W695 PolarHBondContact O-NE1 2.84Å; S691-W695 PolarHBondContact OG-NE1 3.49Å; W695-L980 HydrophobicContact CH2-CD2 3.93Å; W695-L980 HydrophobicContact CZ3-CD2 4.43Å; W695-L1001 HydrophobicContact CH2-CD1 4.33Å; W695-L1001 HydrophobicContact CZ3-CD1 3.8Å; W695-L1001 HydrophobicContact CZ3-CD2 4.21Å
696K29.3Very low27.8Very low203 Ų203136.7 Ų136.788%0.88369%0.691SS**THydrogen-bonded Turntrans-123.35.9-173.4-93.4-170.3178.6-176.60117.6E694E694-K696 PolarHBondContact O-N 2.78Å
697R26.1Very low28Very low207 Ų207134.8 Ų134.878%0.78168%0.683SS**SBendtrans-133.63.6-173.7-81.9-168.4178.5179.8-1.1120.1
698F24.5Very low28.2Very low188 Ų188138.9 Ų138.983%0.82569%0.69SS**  trans-132.881.9178.9-74.2-79.9000112.6P700F698-P700 WeakPolarHBondContact O-CD 3.47Å
699S25.4Very low28.8Very low109 Ų109135.9 Ų135.976%0.76267%0.673SS**  trans-83.6109.5146.942.70000107.7
700P28.7Very low29.2Very low86 Ų86129.5 Ų129.556%0.55866%0.657SS**  trans-80143.5176.231.6-30.8000110.4F698F698-P700 WeakPolarHBondContact O-CD 3.47Å
701P28Very low29.9Very low89 Ų89130.1 Ų130.158%0.57867%0.666SS**  trans-75.9142.4-176.128.6-32.4000112.2R3 D703R3-P701 PolarHBondContact NH1-O 3.09Å; P701-D703 VanDerWaalsContact C-N 3.29Å; P701-D703 PolarHBondContact O-N 3.33Å
702V33.9Very low30.4Very low137 Ų137132.6 Ų132.683%0.8367%0.668SS**SBendtrans-56.5-17.3-154.31720000117.2
703D28.2Very low30.9Very low134 Ų134128.3 Ų128.372%0.71764%0.636SS**  trans-108.294.4-174-59.1-44.3000114R3 P701R3-D703 PolarHBondContact NH1-O 2.85Å; R3-D703 PolarHBondContact NH2-O 2.87Å; P701-D703 VanDerWaalsContact C-N 3.29Å; P701-D703 PolarHBondContact O-N 3.33Å
704S30.7Very low32Very low77 Ų77120.8 Ų120.854%0.53861%0.614SS.*  trans-143.4136.4160.4690000112.9
705P30.4Very low33.1Very low105 Ų105119.5 Ų119.568%0.68261%0.612SS**  trans-78133.3-166.429.5-33.9000112.9V707P705-V707 PolarHBondContact O-N 2.89Å
706R31.9Very low34.5Very low141 Ų141115.4 Ų115.453%0.53260%0.602SS.*  trans-44.4125.7-178.2-69.9175.8169.1167.6-8.4112.5K708 E1007R706-K708 PolarHBondContact O-N 3.26Å; R706-E1007 WeakPolarHBondContact CD-OE1 3.22Å; R706-E1007 IonicContact CZ-OE1 3.67Å; R706-E1007 IonicContact CZ-OE2 2.83Å; R706-E1007 IonicContact NE-OE1 3.37Å; R706-E1007 PolarHBondContact NE-OE1 2.96Å; R706-E1007 IonicContact NH1-OE1 3.34Å; R706-E1007 PolarHBondContact NH1-OE1 2.9Å; R706-E1007 IonicContact NH1-OE2 2.74Å; R706-E1007 PolarHBondContact NH1-OE2 3.16Å; R706-E1007 IonicContact NH2-OE1 2.86Å
707V33.1Very low36.3Very low69 Ų69112.9 Ų112.942%0.41860%0.598SS.*  trans-76.1113.4165-170.60000106.7P705 G709 M1050P705-V707 PolarHBondContact O-N 2.89Å; V707-G709 PolarHBondContact O-N 3.1Å; V707-M1050 HydrophobicContact CB-CE 4.19Å; V707-M1050 VanDerWaalsContact O-CE 3.28Å; V707-M1050 WeakPolarHBondContact O-CE 3.49Å
708K31.3Very low38.5Very low180 Ų180105 Ų10578%0.78357%0.573SS**  trans-61.3105.4165.7-72.6-171.9174.7-172.70107.5R706 D710R706-K708 PolarHBondContact O-N 3.26Å; K708-D710 PolarHBondContact O-N 2.77Å
709G37.2Very low41.1Very low25 Ų2599.3 Ų99.326%0.25855%0.551SS.*G310 helixtrans-74.43.1-179.300000114V707 L711V707-G709 PolarHBondContact O-N 3.1Å; G709-L711 PolarHBondContact O-N 3.4Å
710D34.9Very low43.7Very low109 Ų10996.8 Ų96.858%0.58354%0.537SS*.G310 helixtrans-61-21.7-168.3-57.8-21.8000114.5K708 F712K708-D710 PolarHBondContact O-N 2.77Å; D710-F712 PolarHBondContact O-N 2.69Å
711L37.5Very low46.1Very low157 Ų15793 Ų9382%0.82251%0.511SS*.G310 helixtrans-78.7-7.5-170.8-111.6101.8000116.6G709G709-L711 PolarHBondContact O-N 3.4Å
712F39.7Very low48.2Very low127 Ų12795.1 Ų95.156%0.55751%0.513SS*.G310 helixtrans-12310.3-175.2-71.4-80.6000114.9D710 K1094D710-F712 PolarHBondContact O-N 2.69Å; F712-K1094 PolarHBondContact O-N 3.23Å; F712-K1094 VanDerWaalsContact O-N 3.13Å
713I41.7Very low49.6Very low29 Ų2992 Ų9215%0.14950%0.498CS..BIsolated β-bridgetrans-105.6127-176.2-57.2177.3000108.9D715 L1052 R1053 P1091I713-D715 PolarHBondContact O-N 3.05Å; I713-L1052 WeakPolarHBondContact CD1-O 3.4Å; I713-R1053 HydrophobicContact CD1-CB 4.06Å; I713-R1053 HydrophobicContact CD1-CG 4.37Å; I713-P1091 HydrophobicContact CD1-CB 4.43Å; I713-P1091 HydrophobicContact CG2-CB 3.26Å
714I47.5Very low51.1Low85 Ų8588 Ų8844%0.43648%0.476SS..  trans-69.2129.7171.9-61.1169.5000107.9S716 R1053 K1094I714-S716 PolarHBondContact O-N 2.76Å; I714-R1053 PolarHBondContact O-NH1 2.88Å; I714-K1094 HydrophobicContact CD1-CB 4.23Å; I714-K1094 HydrophobicContact CD1-CD 4.11Å; I714-K1094 HydrophobicContact CD1-CG 4.04Å; I714-K1094 HydrophobicContact CG1-CB 4.18Å; I714-K1094 HydrophobicContact CG1-CD 4.15Å; I714-K1094 HydrophobicContact CG1-CG 4.36Å
715D48.1Very low52.5Low128 Ų12886.9 Ų86.968%0.68448%0.477SS*.  trans-67101.4172.2-78.1-28.2000109.9I713 R1053I713-D715 PolarHBondContact O-N 3.05Å; D715-R1053 IonicContact OD1-CZ 2.95Å; D715-R1053 IonicContact OD1-NH1 2.77Å; D715-R1053 IonicContact OD1-NH2 3.93Å; D715-R1053 PolarHBondContact OD1-NH2 3.36Å
716S57.2Low54.2Low38 Ų3884.5 Ų84.527%0.26646%0.457SS..  trans-96.4108.6159.2540000107.5I714 P1089I714-S716 PolarHBondContact O-N 2.76Å; S716-P1089 WeakPolarHBondContact OG-CG 3.37Å
717L66.1Low55.8Low151 Ų15181.8 Ų81.879%0.79145%0.45SS*.  trans-61.3143174.2-70.5161.8000109.8L719L717-L719 PolarHBondContact O-N 3.36Å
718P71.7Confident57.5Low40 Ų4078.6 Ų78.626%0.2643%0.43SS..  trans-60130.7171.727-33.6000109.5A720 R1087 V1088P718-A720 PolarHBondContact O-N 3.41Å; P718-R1087 WeakPolarHBondContact CA-O 3.26Å; P718-V1088 HydrophobicContact CB-CG2 4.11Å
719L79.3Confident59.4Low70 Ų7073.9 Ų73.937%0.36641%0.411SS..EExtended strand (participates in β ladder)trans-82.5109.8174.8-17196.2000108L717 F721 H1086 R1087L717-L719 PolarHBondContact O-N 3.36Å; L719-F721 HydrophobicContact CD2-CE2 4.35Å; L719-H1086 WeakPolarHBondContact O-CA 3.32Å; L719-R1087 HydrophobicContact CB-CB 4.36Å; L719-R1087 PolarHBondContact N-O 3.17Å; L719-R1087 PolarHBondContact O-N 3.08Å
720A79.9Confident61.3Low56 Ų5674.6 Ų74.646%0.46341%0.408SS..EExtended strand (participates in β ladder)trans-76.1130.5167.900000109.1P718 V1084P718-A720 PolarHBondContact O-N 3.41Å; A720-V1084 HydrophobicContact CB-CG1 3.91Å
721F80.5Confident63.6Low6 Ų669.7 Ų69.73%0.02638%0.382CS..PPolyproline II helixtrans-75.5162.9171.6-71-127.7000108L719 S723 L739 W751 I1085 R1087L719-F721 HydrophobicContact CD2-CE2 4.35Å; F721-S723 PolarHBondContact O-N 3.45Å; F721-L739 HydrophobicContact CE1-CD2 4.18Å; F721-L739 HydrophobicContact CZ-CD2 4.34Å; F721-W751 HydrophobicContact CB-CE3 4.28Å; F721-W751 HydrophobicContact CB-CZ3 4.27Å; F721-W751 HydrophobicContact CD1-CB 3.77Å; F721-W751 AromaticContact CD1-CD2 3.75Å; F721-W751 HydrophobicContact CD1-CD2 3.75Å; F721-W751 AromaticContact CD1-CE3 3.62Å; F721-W751 HydrophobicContact CD1-CE3 3.62Å; F721-W751 AromaticContact CD1-CG 3.84Å; F721-W751 HydrophobicContact CD1-CG 3.84Å; F721-W751 HydrophobicContact CD1-CZ3 4.43Å; F721-W751 HydrophobicContact CE1-CB 3.58Å; F721-W751 HydrophobicContact CE1-CD2 4.47Å; F721-W751 HydrophobicContact CE1-CG 4.11Å; F721-W751 HydrophobicContact CG-CE3 4.44Å; F721-I1085 HydrophobicContact CB-CB 4.01Å; F721-I1085 HydrophobicContact CB-CG2 4.49Å; F721-I1085 HydrophobicContact CD1-CG2 4.33Å; F721-I1085 HydrophobicContact CD2-CB 4.18Å; F721-I1085 HydrophobicContact CD2-CG2 3.81Å; F721-I1085 VanDerWaalsContact CD2-O 3.27Å; F721-I1085 WeakPolarHBondContact CD2-O 3.34Å; F721-I1085 HydrophobicContact CE2-CG2 4.1Å; F721-I1085 HydrophobicContact CG-CB 4.03Å; F721-I1085 HydrophobicContact CG-CG2 3.96Å; F721-I1085 HydrophobicContact CZ-CG2 4.48Å; F721-I1085 PolarHBondContact N-O 3.29Å; F721-R1087 HydrophobicContact CE2-CB 3.55Å; F721-R1087 HydrophobicContact CZ-CB 4.22Å
722E70.9Confident65.8Low133 Ų13364.5 Ų64.562%0.62135%0.353SS*.PPolyproline II helixtrans-58.3116.5175.8-164.6173.4-178.800109.9L724 W751E722-L724 PolarHBondContact O-N 3.46Å; E722-W751 HydrophobicContact CB-CH2 4.45Å; E722-W751 HydrophobicContact CB-CZ3 4.13Å; E722-W751 WeakPolarHBondContact O-CH2 3.42Å
723S63.5Low67.9Low73 Ų7360 Ų6051%0.5134%0.338SS..PPolyproline II helixtrans-71.3118.217860.50000109F721 G725F721-S723 PolarHBondContact O-N 3.45Å; S723-G725 PolarHBondContact O-N 3.23Å
724L61Low69.5Low49 Ų4959.5 Ų59.526%0.25734%0.335SS..  trans-79.9-5.2173.1-66.3172.8000112.6E722 E726 V749 W751E722-L724 PolarHBondContact O-N 3.46Å; L724-E726 VanDerWaalsContact C-N 3.35Å; L724-E726 HydrophobicContact CB-CG 4.43Å; L724-V749 HydrophobicContact CD1-CG2 3.76Å; L724-W751 HydrophobicContact CD1-CH2 4Å; L724-W751 HydrophobicContact CD1-CZ2 3.82Å; L724-W751 HydrophobicContact CG-CH2 4.04Å; L724-W751 HydrophobicContact CG-CZ2 4.28Å
725G59.6Low70.9Confident53 Ų5359.2 Ų59.255%0.54634%0.335SS..SBendtrans76.421.7-177.500000113.7S723S723-G725 PolarHBondContact O-N 3.23Å
726E64.8Low72.2Confident56 Ų5658 Ų5826%0.26233%0.328SS..SBendtrans-127.1142.7-172.4-59.1-63.1166.500110.5L724 Y728L724-E726 VanDerWaalsContact C-N 3.35Å; L724-E726 HydrophobicContact CB-CG 4.43Å; E726-Y728 PolarHBondContact O-N 2.81Å
727E67.5Low73.3Confident83 Ų8359 Ų5939%0.38833%0.331SS..  trans-72.9115.9-179-166.1-178.4177.100110.6Q729 S743 S744 R1067 D1083E727-Q729 PolarHBondContact O-N 3.33Å; E727-S743 CarbonylContact O-C 3.53Å; E727-S743 WeakPolarHBondContact O-CA 3.3Å; E727-S744 PolarHBondContact O-N 3.46Å; E727-R1067 IonicContact OE1-CZ 3.44Å; E727-R1067 IonicContact OE1-NH1 3.99Å; E727-R1067 PolarHBondContact OE1-NH1 2.75Å; E727-R1067 IonicContact OE1-NH2 3.28Å; E727-R1067 PolarHBondContact OE1-NH2 3.03Å; E727-D1083 WeakPolarHBondContact CA-OD1 3.45Å
728Y68.7Low74.2Confident3 Ų353.7 Ų53.71%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-78.5115.2177-62-74000111.1E726 W751 V1080 D1083 I1085E726-Y728 PolarHBondContact O-N 2.81Å; Y728-W751 HydrophobicContact CE1-CZ2 4.31Å; Y728-W751 VanDerWaalsContact OH-CZ2 3.28Å; Y728-W751 WeakPolarHBondContact OH-CZ2 3.47Å; Y728-V1080 HydrophobicContact CD2-CG1 4.44Å; Y728-D1083 WeakPolarHBondContact CE2-O 3.5Å; Y728-I1085 HydrophobicContact CD1-CD1 4.23Å; Y728-I1085 HydrophobicContact CD2-CD1 4.19Å; Y728-I1085 HydrophobicContact CD2-CG1 3.82Å; Y728-I1085 HydrophobicContact CE1-CD1 4.05Å; Y728-I1085 HydrophobicContact CE2-CD1 3.98Å; Y728-I1085 HydrophobicContact CE2-CG1 3.82Å; Y728-I1085 HydrophobicContact CG-CD1 4.3Å; Y728-I1085 HydrophobicContact CG-CG1 4.27Å
729Q70.5Confident74.8Confident81 Ų8151.8 Ų51.838%0.37929%0.29SS..EExtended strand (participates in β ladder)trans-83.2-39-179.9-71.1-170.4-11.700113E727 L742E727-Q729 PolarHBondContact O-N 3.33Å; Q729-L742 PolarHBondContact N-O 2.79Å
730M75.9Confident75Confident40 Ų4048.4 Ų48.420%0.19727%0.273CS..EExtended strand (participates in β ladder)trans-138.2141.8-175.9-62.8-175.3-175.200112.2S741 L742 V797 W798 M800M730-S741 WeakPolarHBondContact O-CA 3.19Å; M730-L742 HydrophobicContact CB-CB 4.31Å; M730-L742 PolarHBondContact N-O 3.08Å; M730-L742 PolarHBondContact O-N 3.33Å; M730-V797 HydrophobicContact CE-CG1 4.27Å; M730-V797 WeakPolarHBondContact CE-O 3.4Å; M730-V797 HydrophobicContact SD-CG1 4Å; M730-W798 WeakPolarHBondContact CE-O 3.45Å; M730-M800 HydrophobicContact CB-CE 3.83Å; M730-M800 HydrophobicContact SD-CB 4.04Å
731L84.3Confident75.2Confident6 Ų645.8 Ų45.83%0.03125%0.251CS..EExtended strand (participates in β ladder)trans-130.3129.4177-15971.5000110.9L739 L740 C1068 V1078 V1080 I1085L731-L739 HydrophobicContact CD1-CD1 4.1Å; L731-L739 HydrophobicContact CD1-CD2 3.75Å; L731-L739 HydrophobicContact CD1-CG 3.81Å; L731-L739 HydrophobicContact CD2-CD1 4.02Å; L731-L739 HydrophobicContact CD2-CD2 4.22Å; L731-L739 HydrophobicContact CD2-CG 4.48Å; L731-L739 HydrophobicContact CG-CD1 3.79Å; L731-L739 HydrophobicContact CG-CD2 4.23Å; L731-L739 HydrophobicContact CG-CG 4.1Å; L731-L740 WeakPolarHBondContact CA-O 3.28Å; L731-C1068 HydrophobicContact CB-CB 3.73Å; L731-C1068 HydrophobicContact CD2-CB 4.47Å; L731-V1078 HydrophobicContact CD2-CB 4.15Å; L731-V1078 HydrophobicContact CD2-CG1 3.66Å; L731-V1080 HydrophobicContact CD2-CG2 4.41Å; L731-I1085 HydrophobicContact CD1-CD1 4.08Å; L731-I1085 HydrophobicContact CD1-CG1 4.48Å
732H84.1Confident75.4Confident47 Ų4745.5 Ų45.522%0.21825%0.25CC..EExtended strand (participates in β ladder)trans-136.1132.7179.4-167.273.6000111L740 M800 T801 G802H732-L740 HydrophobicContact CB-CB 4.41Å; H732-L740 PolarHBondContact N-O 2.77Å; H732-L740 WeakPolarHBondContact O-CB 3.32Å; H732-L740 PolarHBondContact O-N 2.85Å; H732-M800 HydrophobicContact CB-CE 3.81Å; H732-T801 PolarHBondContact NE2-OG1 3.43Å; H732-G802 PolarHBondContact CD2-N 3.42Å; H732-G802 PolarHBondContact NE2-N 2.9Å; H732-G802 VanDerWaalsContact NE2-N 3.13Å; H732-G802 PolarHBondContact NE2-O 3.27Å
733S83.4Confident75.7Confident34 Ų3439.3 Ų39.324%0.23822%0.221CC..EExtended strand (participates in β ladder)trans-82.7123.3171.4175.60000108.8N735 R1071S733-N735 PolarHBondContact OG-O 3Å; S733-N735 VanDerWaalsContact OG-O 3.04Å; S733-R1071 WeakPolarHBondContact CB-O 3.44Å
734L76Confident76Confident17 Ų1736.6 Ų36.69%0.08920%0.202CC..EExtended strand (participates in β ladder)trans-81.6-46.5176.1-68.5172.3000110.8L738 L740 I750 V807L734-L738 HydrophobicContact CB-CB 4.15Å; L734-L738 HydrophobicContact CD1-CB 4.39Å; L734-L738 PolarHBondContact N-O 3.47Å; L734-L740 HydrophobicContact CD1-CB 4.12Å; L734-L740 HydrophobicContact CD2-CB 4.35Å; L734-L740 HydrophobicContact CD2-CD2 4.32Å; L734-L740 HydrophobicContact CG-CB 3.99Å; L734-I750 HydrophobicContact CD1-CG1 4.46Å; L734-I750 HydrophobicContact CD1-CG2 4.33Å; L734-V807 HydrophobicContact CD2-CG2 4.38Å
735N75.2Confident76.3Confident79 Ų7936.3 Ų36.342%0.42220%0.201SC..EExtended strand (participates in β ladder)trans-146.6175.5-178.1-69.2-22.4000108.2S733 N737 L738S733-N735 PolarHBondContact OG-O 3Å; S733-N735 VanDerWaalsContact OG-O 3.04Å; N735-N737 PolarHBondContact O-N 2.83Å; N735-L738 HydrophobicContact CB-CB 4.47Å; N735-L738 PolarHBondContact N-O 3.27Å; N735-L738 PolarHBondContact O-N 2.55Å
736D75.5Confident76.9Confident104 Ų10434.7 Ų34.756%0.55618%0.181SC*.THydrogen-bonded Turntrans-55.2-24177.6-67.7-26.9000114.9L1072 G1073D736-L1072 WeakPolarHBondContact O-CD1 3.3Å; D736-G1073 PolarHBondContact O-N 2.74Å
737N82Confident77.4Confident59 Ų5934.6 Ų34.632%0.31618%0.178SC..THydrogen-bonded Turntrans-115.5-13.5-177.8-63.4-26.8000114N735 G753 R754N735-N737 PolarHBondContact O-N 2.83Å; N737-G753 WeakPolarHBondContact O-CA 3.26Å; N737-G753 PolarHBondContact O-N 2.96Å; N737-R754 VanDerWaalsContact CG-NE 3.32Å; N737-R754 PolarHBondContact ND2-NE 3.11Å; N737-R754 PolarHBondContact ND2-NH2 3.24Å; N737-R754 PolarHBondContact OD1-NE 3.2Å; N737-R754 PolarHBondContact OD1-NH2 2.82Å
738L83.3Confident77.9Confident38 Ų3830.7 Ų30.720%0.19916%0.16CC..EExtended strand (participates in β ladder)trans-116.5131.9-172.2-67.1175.7000110.3L734 N735 I750 W751 E759L734-L738 HydrophobicContact CB-CB 4.15Å; L734-L738 HydrophobicContact CD1-CB 4.39Å; L734-L738 PolarHBondContact N-O 3.47Å; N735-L738 HydrophobicContact CB-CB 4.47Å; N735-L738 PolarHBondContact N-O 3.27Å; N735-L738 PolarHBondContact O-N 2.55Å; L738-I750 HydrophobicContact CB-CG2 4.49Å; L738-I750 HydrophobicContact CD2-CG2 4.12Å; L738-W751 WeakPolarHBondContact CA-O 3.36Å; L738-E759 VanDerWaalsContact CD2-OE2 3.27Å; L738-E759 WeakPolarHBondContact CD2-OE2 3.49Å
739L84.7Confident78.5Confident0 Ų030.6 Ų30.60%016%0.16CC..EExtended strand (participates in β ladder)trans-123131.2-177-175.678.5000109F721 L731 I750 W751 V1078 I1085F721-L739 HydrophobicContact CE1-CD2 4.18Å; F721-L739 HydrophobicContact CZ-CD2 4.34Å; L731-L739 HydrophobicContact CD1-CD1 4.1Å; L731-L739 HydrophobicContact CD1-CD2 3.75Å; L731-L739 HydrophobicContact CD1-CG 3.81Å; L731-L739 HydrophobicContact CD2-CD1 4.02Å; L731-L739 HydrophobicContact CD2-CD2 4.22Å; L731-L739 HydrophobicContact CD2-CG 4.48Å; L731-L739 HydrophobicContact CG-CD1 3.79Å; L731-L739 HydrophobicContact CG-CD2 4.23Å; L731-L739 HydrophobicContact CG-CG 4.1Å; L739-I750 CarbonylContact O-C 3.52Å; L739-I750 WeakPolarHBondContact O-CA 3.34Å; L739-W751 HydrophobicContact CB-CB 4.23Å; L739-W751 PolarHBondContact N-O 3Å; L739-W751 PolarHBondContact O-N 2.88Å; L739-V1078 HydrophobicContact CD2-CB 4.47Å; L739-V1078 HydrophobicContact CD2-CG1 3.77Å; L739-V1078 HydrophobicContact CD2-CG2 4.41Å; L739-I1085 HydrophobicContact CD2-CG2 3.87Å
740L84.2Confident79Confident0 Ų027.1 Ų27.10%014%0.144CC..EExtended strand (participates in β ladder)trans-103.6124.5177.1-174.671.9000109.1L731 H732 L734 L748 I750 M800 V807L731-L740 WeakPolarHBondContact CA-O 3.28Å; H732-L740 HydrophobicContact CB-CB 4.41Å; H732-L740 PolarHBondContact N-O 2.77Å; H732-L740 WeakPolarHBondContact O-CB 3.32Å; H732-L740 PolarHBondContact O-N 2.85Å; L734-L740 HydrophobicContact CD1-CB 4.12Å; L734-L740 HydrophobicContact CD2-CB 4.35Å; L734-L740 HydrophobicContact CD2-CD2 4.32Å; L734-L740 HydrophobicContact CG-CB 3.99Å; L740-L748 HydrophobicContact CD1-CD1 3.65Å; L740-L748 HydrophobicContact CD1-CD2 3.75Å; L740-L748 HydrophobicContact CD1-CG 3.6Å; L740-L748 HydrophobicContact CD2-CD1 4.27Å; L740-L748 HydrophobicContact CG-CD1 3.89Å; L740-L748 HydrophobicContact CG-CG 4.4Å; L740-I750 HydrophobicContact CD1-CG1 3.76Å; L740-M800 HydrophobicContact CD2-CE 3.92Å; L740-M800 HydrophobicContact CD2-CG 3.87Å; L740-M800 HydrophobicContact CD2-SD 3.39Å; L740-M800 WeakPolarHBondContact CD2-SD 3.41Å; L740-M800 HydrophobicContact CG-CE 4.07Å; L740-M800 HydrophobicContact CG-SD 3.87Å; L740-V807 HydrophobicContact CD1-CG2 4.27Å; L740-V807 HydrophobicContact CD2-CB 4.34Å; L740-V807 HydrophobicContact CD2-CG1 3.47Å; L740-V807 VanDerWaalsContact CD2-CG1 3.47Å; L740-V807 HydrophobicContact CD2-CG2 3.88Å
741S84.6Confident79.5Confident0 Ų025.2 Ų25.20%013%0.134CC..EExtended strand (participates in β ladder)trans-118.3142.8172.1720000111M730 V749 W751M730-S741 WeakPolarHBondContact O-CA 3.19Å; S741-V749 PolarHBondContact N-O 2.75Å; S741-V749 PolarHBondContact O-N 3.18Å; S741-W751 PolarHBondContact OG-NE1 2.98Å
742L83.1Confident79.4Confident0 Ų026.4 Ų26.40%014%0.141CC..EExtended strand (participates in β ladder)trans-116.1123.8169.5179.770.2000109.1Q729 M730 L748 L764 V797 M800Q729-L742 PolarHBondContact N-O 2.79Å; M730-L742 HydrophobicContact CB-CB 4.31Å; M730-L742 PolarHBondContact N-O 3.08Å; M730-L742 PolarHBondContact O-N 3.33Å; L742-L748 HydrophobicContact CB-CD1 4.28Å; L742-L748 HydrophobicContact CD1-CD1 4.14Å; L742-L764 HydrophobicContact CD1-CD1 3.73Å; L742-V797 HydrophobicContact CD2-CB 3.57Å; L742-V797 HydrophobicContact CD2-CG1 3.62Å; L742-V797 HydrophobicContact CD2-CG2 3.68Å; L742-M800 HydrophobicContact CB-CE 4.35Å; L742-M800 HydrophobicContact CB-SD 4.09Å
743S78.8Confident79.2Confident4 Ų424.2 Ų24.23%0.02813%0.131CC..EExtended strand (participates in β ladder)trans-84163.8172.972.50000112.5E727 D745 C746 R747E727-S743 CarbonylContact O-C 3.53Å; E727-S743 WeakPolarHBondContact O-CA 3.3Å; S743-D745 PolarHBondContact O-N 2.9Å; S743-D745 PolarHBondContact OG-N 3.11Å; S743-C746 WeakPolarHBondContact O-CA 3.2Å; S743-C746 PolarHBondContact O-N 3.16Å; S743-R747 PolarHBondContact N-O 3.46Å; S743-R747 WeakPolarHBondContact OG-CB 3.05Å; S743-R747 PolarHBondContact OG-N 3.23Å; S743-R747 VanDerWaalsContact OG-N 3.14Å
744S69.5Low79Confident16 Ų1630.3 Ų30.311%0.11215%0.149CC..THydrogen-bonded Turntrans-49-38.8170.552.80000112.8E727 C746E727-S744 PolarHBondContact O-N 3.46Å; S744-C746 PolarHBondContact O-N 2.88Å; S744-C746 VanDerWaalsContact O-N 3.11Å
745D67.7Low79.1Confident43 Ų4333 Ų3323%0.2317%0.166CC..THydrogen-bonded Turntrans-81.415.5-179.2-64.19.7000112.9S743 R747 W763S743-D745 PolarHBondContact O-N 2.9Å; S743-D745 PolarHBondContact OG-N 3.11Å; D745-R747 PolarHBondContact O-N 3.39Å; D745-W763 HydrophobicContact CB-CH2 4.23Å; D745-W763 HydrophobicContact CB-CZ3 3.65Å; D745-W763 WeakPolarHBondContact O-CZ3 3.03Å
746C71.4Confident79.4Confident19 Ų1929.5 Ų29.513%0.12815%0.148CC..  trans58.528.9-178.4-59.30000113.3S743 S744 L764S743-C746 WeakPolarHBondContact O-CA 3.2Å; S743-C746 PolarHBondContact O-N 3.16Å; S744-C746 PolarHBondContact O-N 2.88Å; S744-C746 VanDerWaalsContact O-N 3.11Å; C746-L764 HydrophobicContact CB-CB 4.21Å; C746-L764 WeakPolarHBondContact O-CD1 3.44Å; C746-L764 PolarHBondContact O-N 2.76Å; C746-L764 VanDerWaalsContact O-N 3.07Å
747R74.1Confident79.6Confident54 Ų5430.4 Ų30.420%0.20415%0.15CC..EExtended strand (participates in β ladder)trans-82.6122.6170.1-165.7178.9177.2-178.6-4.1108.6S743 D745 V749 S761 W763S743-R747 PolarHBondContact N-O 3.46Å; S743-R747 WeakPolarHBondContact OG-CB 3.05Å; S743-R747 PolarHBondContact OG-N 3.23Å; S743-R747 VanDerWaalsContact OG-N 3.14Å; D745-R747 PolarHBondContact O-N 3.39Å; R747-V749 HydrophobicContact CG-CG2 4.17Å; R747-S761 PolarHBondContact NH2-OG 2.87Å; R747-S761 VanDerWaalsContact NH2-OG 3.11Å; R747-W763 HydrophobicContact CB-CD2 4.29Å; R747-W763 HydrophobicContact CB-CE3 3.89Å; R747-W763 HydrophobicContact CB-CH2 4.21Å; R747-W763 HydrophobicContact CB-CZ3 3.84Å; R747-W763 HydrophobicContact CG-CD2 4.17Å; R747-W763 HydrophobicContact CG-CE3 4.27Å; R747-W763 HydrophobicContact CG-CH2 4.45Å; R747-W763 HydrophobicContact CG-CZ2 4.33Å; R747-W763 HydrophobicContact CG-CZ3 4.41Å
748L79.3Confident79.4Confident0 Ų029.7 Ų29.70%015%0.152CC..EExtended strand (participates in β ladder)trans-95.6129174.8-162.572.5000109.4L740 L742 S761 F762 L764 M800 V807 F809 M821L740-L748 HydrophobicContact CD1-CD1 3.65Å; L740-L748 HydrophobicContact CD1-CD2 3.75Å; L740-L748 HydrophobicContact CD1-CG 3.6Å; L740-L748 HydrophobicContact CD2-CD1 4.27Å; L740-L748 HydrophobicContact CG-CD1 3.89Å; L740-L748 HydrophobicContact CG-CG 4.4Å; L742-L748 HydrophobicContact CB-CD1 4.28Å; L742-L748 HydrophobicContact CD1-CD1 4.14Å; L748-S761 WeakPolarHBondContact O-CA 3.36Å; L748-F762 HydrophobicContact CB-CD1 4.29Å; L748-F762 HydrophobicContact CB-CE1 3.78Å; L748-F762 HydrophobicContact CB-CE2 4.29Å; L748-F762 HydrophobicContact CB-CZ 3.84Å; L748-F762 HydrophobicContact CD2-CE1 3.4Å; L748-F762 VanDerWaalsContact CD2-CE1 3.4Å; L748-F762 HydrophobicContact CD2-CE2 4.18Å; L748-F762 HydrophobicContact CD2-CZ 3.17Å; L748-F762 HydrophobicContact CG-CE1 4.01Å; L748-F762 HydrophobicContact CG-CZ 4.08Å; L748-F762 PolarHBondContact N-O 2.92Å; L748-F762 PolarHBondContact O-N 2.8Å; L748-L764 HydrophobicContact CB-CD1 4.32Å; L748-M800 HydrophobicContact CD1-SD 3.91Å; L748-V807 HydrophobicContact CD2-CG1 4.27Å; L748-F809 HydrophobicContact CD1-CE1 3.94Å; L748-F809 HydrophobicContact CD1-CZ 3.64Å; L748-F809 HydrophobicContact CD2-CE2 4.35Å; L748-F809 HydrophobicContact CD2-CZ 3.7Å; L748-F809 HydrophobicContact CG-CZ 4.28Å; L748-M821 HydrophobicContact CD2-SD 4.35Å
749V81.1Confident79Confident1 Ų132 Ų321%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-130.4127.2179.2-169.30000109.6L724 S741 R747 W751 A758 Y760L724-V749 HydrophobicContact CD1-CG2 3.76Å; S741-V749 PolarHBondContact N-O 2.75Å; S741-V749 PolarHBondContact O-N 3.18Å; R747-V749 HydrophobicContact CG-CG2 4.17Å; V749-W751 HydrophobicContact CB-CZ2 4.14Å; V749-W751 HydrophobicContact CG1-CD2 3.91Å; V749-W751 VanDerWaalsContact CG1-CE2 3.45Å; V749-W751 HydrophobicContact CG1-CE3 4.49Å; V749-W751 HydrophobicContact CG1-CG 4.32Å; V749-W751 HydrophobicContact CG1-CH2 4.3Å; V749-W751 HydrophobicContact CG1-CZ2 3.66Å; V749-A758 HydrophobicContact CG1-CB 3.59Å; V749-Y760 WeakPolarHBondContact CA-O 3.47Å
750I81.9Confident78.6Confident8 Ų838 Ų384%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-95.7116.1168.3-58.7175.3000106.7L734 L738 L739 L740 A758 E759 Y760 M821L734-I750 HydrophobicContact CD1-CG1 4.46Å; L734-I750 HydrophobicContact CD1-CG2 4.33Å; L738-I750 HydrophobicContact CB-CG2 4.49Å; L738-I750 HydrophobicContact CD2-CG2 4.12Å; L739-I750 CarbonylContact O-C 3.52Å; L739-I750 WeakPolarHBondContact O-CA 3.34Å; L740-I750 HydrophobicContact CD1-CG1 3.76Å; I750-A758 CarbonylContact O-C 3.58Å; I750-E759 PolarHBondContact O-N 3.01Å; I750-Y760 HydrophobicContact CD1-CD2 4.38Å; I750-Y760 PolarHBondContact N-O 3.36Å; I750-Y760 PolarHBondContact O-N 3.4Å; I750-M821 HydrophobicContact CD1-CB 4.02Å; I750-M821 HydrophobicContact CD1-CE 4.01Å; I750-M821 HydrophobicContact CD1-CG 3.9Å; I750-M821 HydrophobicContact CD1-SD 4.47Å
751W85Confident78.1Confident0 Ų040.8 Ų40.80%020%0.204CC..EExtended strand (participates in β ladder)trans-97.8138.4175.8-53.788.6000110.5F721 E722 L724 Y728 L738 L739 S741 V749 G753 Q757 A758 I1085F721-W751 HydrophobicContact CB-CE3 4.28Å; F721-W751 HydrophobicContact CB-CZ3 4.27Å; F721-W751 HydrophobicContact CD1-CB 3.77Å; F721-W751 AromaticContact CD1-CD2 3.75Å; F721-W751 HydrophobicContact CD1-CD2 3.75Å; F721-W751 AromaticContact CD1-CE3 3.62Å; F721-W751 HydrophobicContact CD1-CE3 3.62Å; F721-W751 AromaticContact CD1-CG 3.84Å; F721-W751 HydrophobicContact CD1-CG 3.84Å; F721-W751 HydrophobicContact CD1-CZ3 4.43Å; F721-W751 HydrophobicContact CE1-CB 3.58Å; F721-W751 HydrophobicContact CE1-CD2 4.47Å; F721-W751 HydrophobicContact CE1-CG 4.11Å; F721-W751 HydrophobicContact CG-CE3 4.44Å; E722-W751 HydrophobicContact CB-CH2 4.45Å; E722-W751 HydrophobicContact CB-CZ3 4.13Å; E722-W751 WeakPolarHBondContact O-CH2 3.42Å; L724-W751 HydrophobicContact CD1-CH2 4Å; L724-W751 HydrophobicContact CD1-CZ2 3.82Å; L724-W751 HydrophobicContact CG-CH2 4.04Å; L724-W751 HydrophobicContact CG-CZ2 4.28Å; Y728-W751 HydrophobicContact CE1-CZ2 4.31Å; Y728-W751 VanDerWaalsContact OH-CZ2 3.28Å; Y728-W751 WeakPolarHBondContact OH-CZ2 3.47Å; L738-W751 WeakPolarHBondContact CA-O 3.36Å; L739-W751 HydrophobicContact CB-CB 4.23Å; L739-W751 PolarHBondContact N-O 3Å; L739-W751 PolarHBondContact O-N 2.88Å; S741-W751 PolarHBondContact OG-NE1 2.98Å; V749-W751 HydrophobicContact CB-CZ2 4.14Å; V749-W751 HydrophobicContact CG1-CD2 3.91Å; V749-W751 VanDerWaalsContact CG1-CE2 3.45Å; V749-W751 HydrophobicContact CG1-CE3 4.49Å; V749-W751 HydrophobicContact CG1-CG 4.32Å; V749-W751 HydrophobicContact CG1-CH2 4.3Å; V749-W751 HydrophobicContact CG1-CZ2 3.66Å; W751-G753 PolarHBondContact O-N 3.3Å; W751-Q757 WeakPolarHBondContact CA-O 3.36Å; W751-A758 HydrophobicContact CE3-CB 3.95Å; W751-A758 HydrophobicContact CH2-CB 4.3Å; W751-A758 HydrophobicContact CZ3-CB 3.85Å; W751-I1085 HydrophobicContact CZ2-CD1 4.3Å
752N82.8Confident77.6Confident31 Ų3142.3 Ų42.317%0.16621%0.211CC..EExtended strand (participates in β ladder)trans-74.6105.4160.4-169.1-38.4000108.4R754 T755 G756 Q757 E759N752-R754 PolarHBondContact O-N 3.38Å; N752-R754 VanDerWaalsContact O-N 3.09Å; N752-R754 WeakPolarHBondContact OD1-CB 3.36Å; N752-R754 PolarHBondContact OD1-N 2.83Å; N752-T755 WeakPolarHBondContact CB-OG1 3.37Å; N752-T755 PolarHBondContact O-N 3.26Å; N752-G756 WeakPolarHBondContact O-CA 3.49Å; N752-G756 PolarHBondContact O-N 3.34Å; N752-Q757 PolarHBondContact N-O 2.72Å; N752-E759 HydrophobicContact CB-CG 3.88Å; N752-E759 WeakPolarHBondContact CB-OE1 3.37Å; N752-E759 PolarHBondContact ND2-OE1 2.83Å
753G79.6Confident76.8Confident1 Ų149.1 Ų49.11%0.0124%0.237CC..THydrogen-bonded Turntrans-59-19.6178.500000114.2N737 W751 R1087N737-G753 WeakPolarHBondContact O-CA 3.26Å; N737-G753 PolarHBondContact O-N 2.96Å; W751-G753 PolarHBondContact O-N 3.3Å; G753-R1087 WeakPolarHBondContact O-CD 3.41Å; G753-R1087 PolarHBondContact O-NE 3.48Å; G753-R1087 PolarHBondContact O-NH1 2.97Å
754R80.2Confident76.2Confident162 Ų16249.4 Ų49.461%0.61124%0.238SC*.THydrogen-bonded Turntrans-78.9-47.4175.5-67.4-171.4178.1-175.4-0.9112.8N737 N752 R1087N737-R754 VanDerWaalsContact CG-NE 3.32Å; N737-R754 PolarHBondContact ND2-NE 3.11Å; N737-R754 PolarHBondContact ND2-NH2 3.24Å; N737-R754 PolarHBondContact OD1-NE 3.2Å; N737-R754 PolarHBondContact OD1-NH2 2.82Å; N752-R754 PolarHBondContact O-N 3.38Å; N752-R754 VanDerWaalsContact O-N 3.09Å; N752-R754 WeakPolarHBondContact OD1-CB 3.36Å; N752-R754 PolarHBondContact OD1-N 2.83Å; R754-R1087 PolarHBondContact O-NH1 2.68Å
755T77.4Confident75.4Confident73 Ų7357.7 Ų57.745%0.44827%0.272SS..THydrogen-bonded Turntrans-93.8-19.8-173.559.10000113.1N752 Q757N752-T755 WeakPolarHBondContact CB-OG1 3.37Å; N752-T755 PolarHBondContact O-N 3.26Å; T755-Q757 PolarHBondContact O-N 2.97Å; T755-Q757 WeakPolarHBondContact OG1-CB 3.43Å; T755-Q757 PolarHBondContact OG1-N 3.09Å
756G81Confident74.1Confident6 Ų666.7 Ų66.76%0.06230%0.303CS..  trans774.5-170.800000113.9N752N752-G756 WeakPolarHBondContact O-CA 3.49Å; N752-G756 PolarHBondContact O-N 3.34Å
757Q80.6Confident72.5Confident124 Ų12467.1 Ų67.158%0.57931%0.305SS*.  trans-87.9145.2-177.9-66.1177.2-23.400111.5W751 N752 T755 E759W751-Q757 WeakPolarHBondContact CA-O 3.36Å; N752-Q757 PolarHBondContact N-O 2.72Å; T755-Q757 PolarHBondContact O-N 2.97Å; T755-Q757 WeakPolarHBondContact OG1-CB 3.43Å; T755-Q757 PolarHBondContact OG1-N 3.09Å; Q757-E759 PolarHBondContact O-N 3.46Å
758A78.2Confident70.2Confident44 Ų4470.3 Ų70.336%0.36433%0.331SS..EExtended strand (participates in β ladder)trans-74.5117.4170.200000110.1V749 I750 W751V749-A758 HydrophobicContact CG1-CB 3.59Å; I750-A758 CarbonylContact O-C 3.58Å; W751-A758 HydrophobicContact CE3-CB 3.95Å; W751-A758 HydrophobicContact CH2-CB 4.3Å; W751-A758 HydrophobicContact CZ3-CB 3.85Å
759E74.8Confident68Low87 Ų8772.4 Ų72.441%0.40734%0.344SS..EExtended strand (participates in β ladder)trans-81.1-43175-68.9-169.716800111.5L738 I750 N752 Q757L738-E759 VanDerWaalsContact CD2-OE2 3.27Å; L738-E759 WeakPolarHBondContact CD2-OE2 3.49Å; I750-E759 PolarHBondContact O-N 3.01Å; N752-E759 HydrophobicContact CB-CG 3.88Å; N752-E759 WeakPolarHBondContact CB-OE1 3.37Å; N752-E759 PolarHBondContact ND2-OE1 2.83Å; Q757-E759 PolarHBondContact O-N 3.46Å
760Y74.3Confident65.2Low125 Ų12580.4 Ų80.449%0.4938%0.38SS..EExtended strand (participates in β ladder)trans-137.4133.3178.4-64.1-80.5000109.1V749 I750V749-Y760 WeakPolarHBondContact CA-O 3.47Å; I750-Y760 HydrophobicContact CD1-CD2 4.38Å; I750-Y760 PolarHBondContact N-O 3.36Å; I750-Y760 PolarHBondContact O-N 3.4Å
761S75.6Confident62.6Low58 Ų5885.6 Ų85.641%0.40641%0.407SS..EExtended strand (participates in β ladder)trans-132.7133.2169.283.10000109.1R747 L748R747-S761 PolarHBondContact NH2-OG 2.87Å; R747-S761 VanDerWaalsContact NH2-OG 3.11Å; L748-S761 WeakPolarHBondContact O-CA 3.36Å
762F73Confident59.8Low32 Ų3293.9 Ų93.914%0.1444%0.443CS..EExtended strand (participates in β ladder)trans-150.2157.4173.966.7-77.8000109.8L748 M821L748-F762 HydrophobicContact CB-CD1 4.29Å; L748-F762 HydrophobicContact CB-CE1 3.78Å; L748-F762 HydrophobicContact CB-CE2 4.29Å; L748-F762 HydrophobicContact CB-CZ 3.84Å; L748-F762 HydrophobicContact CD2-CE1 3.4Å; L748-F762 VanDerWaalsContact CD2-CE1 3.4Å; L748-F762 HydrophobicContact CD2-CE2 4.18Å; L748-F762 HydrophobicContact CD2-CZ 3.17Å; L748-F762 HydrophobicContact CG-CE1 4.01Å; L748-F762 HydrophobicContact CG-CZ 4.08Å; L748-F762 PolarHBondContact N-O 2.92Å; L748-F762 PolarHBondContact O-N 2.8Å; F762-M821 HydrophobicContact CD1-CE 3.69Å; F762-M821 HydrophobicContact CE1-CE 3.05Å; F762-M821 HydrophobicContact CE1-SD 3.41Å; F762-M821 WeakPolarHBondContact CE1-SD 3.36Å; F762-M821 HydrophobicContact CZ-CE 3.7Å; F762-M821 HydrophobicContact CZ-SD 3.44Å; F762-M821 WeakPolarHBondContact CZ-SD 3.3Å
763W66.5Low57.1Low143 Ų14398.1 Ų98.154%0.54247%0.472SS..EExtended strand (participates in β ladder)trans-88.6128.5175.9-6391000108.5D745 R747 K765D745-W763 HydrophobicContact CB-CH2 4.23Å; D745-W763 HydrophobicContact CB-CZ3 3.65Å; D745-W763 WeakPolarHBondContact O-CZ3 3.03Å; R747-W763 HydrophobicContact CB-CD2 4.29Å; R747-W763 HydrophobicContact CB-CE3 3.89Å; R747-W763 HydrophobicContact CB-CH2 4.21Å; R747-W763 HydrophobicContact CB-CZ3 3.84Å; R747-W763 HydrophobicContact CG-CD2 4.17Å; R747-W763 HydrophobicContact CG-CE3 4.27Å; R747-W763 HydrophobicContact CG-CH2 4.45Å; R747-W763 HydrophobicContact CG-CZ2 4.33Å; R747-W763 HydrophobicContact CG-CZ3 4.41Å; W763-K765 PolarHBondContact O-N 2.88Å
764L65.9Low54.7Low10 Ų10106.9 Ų106.95%0.05251%0.513CS..  trans-56.7133.6157.5-83.9118.1000106.7L742 C746 L748 R766 F809 Y819L742-L764 HydrophobicContact CD1-CD1 3.73Å; C746-L764 HydrophobicContact CB-CB 4.21Å; C746-L764 WeakPolarHBondContact O-CD1 3.44Å; C746-L764 PolarHBondContact O-N 2.76Å; C746-L764 VanDerWaalsContact O-N 3.07Å; L748-L764 HydrophobicContact CB-CD1 4.32Å; L764-R766 PolarHBondContact O-N 2.94Å; L764-F809 HydrophobicContact CD1-CE1 4.41Å; L764-F809 HydrophobicContact CD1-CE2 4.48Å; L764-F809 HydrophobicContact CD1-CZ 4.11Å; L764-F809 HydrophobicContact CD2-CD2 4.33Å; L764-F809 HydrophobicContact CD2-CE2 4.24Å; L764-Y819 HydrophobicContact CD2-CE2 3.77Å; L764-Y819 WeakPolarHBondContact CD2-OH 3.42Å
765K52.5Low52.2Low191 Ų191103.5 Ų103.583%0.8352%0.519SS*.SBendtrans-55.697.5-176.3-79.7-176.1174.6177.40111.1W763W763-K765 PolarHBondContact O-N 2.88Å
766R40.4Very low49.8Very low231 Ų231107.6 Ų107.687%0.87254%0.538SS*.  trans58.9136.3176.1-63.3-176.4175.1-176-2.1113L764L764-R766 PolarHBondContact O-N 2.94Å
767P37.5Very low47.3Very low28 Ų28117.8 Ų117.818%0.18258%0.576CS.*  -137.4157.950.933.4-12.7000115.5D794P767-D794 WeakPolarHBondContact CB-OD1 3.45Å; P767-D794 HydrophobicContact CG-CB 4.14Å; P767-D794 WeakPolarHBondContact CG-OD1 3.47Å
768V26.8Very low45Very low121 Ų121118.3 Ų118.373%0.73359%0.59SS**  trans-82.1112176.41750000107.9
769V32.1Very low42.5Very low45 Ų45121 Ų12127%0.27361%0.606SS.*  trans-112.896.6169.2-172.80000108.4I771V769-I771 HydrophobicContact CG1-CD1 4.39Å; V769-I771 HydrophobicContact CG1-CG1 3.7Å; V769-I771 PolarHBondContact O-N 2.82Å
770H24Very low40.1Very low168 Ų168121.7 Ų121.778%0.77862%0.62SS**  trans-73.194.4166.8-88.1-66.1000109.3K772H770-K772 PolarHBondContact O-N 2.94Å
771I26.8Very low37.9Very low118 Ų118121 Ų12161%0.60563%0.634SS**  trans-79.795.7168.1-53.3175.3000107.2V769V769-I771 HydrophobicContact CG1-CD1 4.39Å; V769-I771 HydrophobicContact CG1-CG1 3.7Å; V769-I771 PolarHBondContact O-N 2.82Å
772K25Very low35.7Very low173 Ų173123.8 Ų123.875%0.75265%0.653SS**  trans-77.3124.3167.2-82-173.6176.5179.80108.8H770 H774H770-K772 PolarHBondContact O-N 2.94Å; K772-H774 PolarHBondContact O-N 3.39Å; K772-H774 VanDerWaalsContact O-N 3.13Å
773P27.2Very low33.5Very low121 Ų121131.3 Ų131.379%0.78669%0.691SS**  trans-68.3112.2-177.326.3-31.7000109.3A775P773-A775 PolarHBondContact O-N 2.97Å
774H28Very low31.7Very low185 Ų185131 Ų13186%0.85671%0.705SS**  trans-72.5111.8176.7-98.4-74.3000109.9K772K772-H774 PolarHBondContact O-N 3.39Å; K772-H774 VanDerWaalsContact O-N 3.13Å
775A28.5Very low29.7Very low91 Ų91139.3 Ų139.375%0.75274%0.743SS**  trans-60.6139.2169.600000111.2P773 Y777P773-A775 PolarHBondContact O-N 2.97Å; A775-Y777 PolarHBondContact O-N 2.66Å; A775-Y777 VanDerWaalsContact O-N 3.14Å
776L26.8Very low28.4Very low159 Ų159134.8 Ų134.883%0.83274%0.736SS**SBendtrans-54.8106.8177.2-68.695.4000111.9
777Y29.4Very low27.7Very low220 Ų220131.2 Ų131.286%0.86373%0.732SS**  trans-161.2113.3142.1-83.5-67.4000108.8A775 S779A775-Y777 PolarHBondContact O-N 2.66Å; A775-Y777 VanDerWaalsContact O-N 3.14Å; Y777-S779 PolarHBondContact O-N 2.82Å
778P31.9Very low27.2Very low135 Ų135139.5 Ų139.588%0.87777%0.765SS**  trans-87.999177.532.8-26.9000108.8
779S24.7Very low27.2Very low100 Ų100137.3 Ų137.370%0.69977%0.767SS**  trans-112.9106163.659.90000109.6Y777Y777-S779 PolarHBondContact O-N 2.82Å
780S26.4Very low27.2Very low101 Ų101139.5 Ų139.571%0.70678%0.78SS**  trans43.7107.5141.957.90000118.4
781S27.9Very low27.7Very low111 Ų111138.9 Ų138.978%0.77678%0.783SS**SBendtrans43.494.413461.80000117.9
782S28.5Very low28.1Very low116 Ų116140.9 Ų140.981%0.81180%0.795SS**  trans148.980.8136.258.80000112.4
783M26.6Very low29Very low191 Ų191141.6 Ų141.694%0.94180%0.798SS**  trans-129.767.1155.1-87.7-165.8-83.500108.9
784V27.8Very low30.4Very low135 Ų135139 Ų13982%0.81878%0.778SS**  trans-108.59.4169.1175.20000111.1
785H25.3Very low32.2Very low185 Ų185131.4 Ų131.486%0.85675%0.746SS**SBendtrans-121.6116.3176.4-86.8-58.8000114.1
786S24.4Very low34.5Very low97 Ų97133.2 Ų133.268%0.67874%0.735SS**  trans78.674.1147.9-173.40000117.6
787I27.1Very low37.2Very low155 Ų155126.1 Ų126.180%0.79570%0.698SS**  trans-109.577.4140.7-56.2175.9000106.9V790I787-V790 HydrophobicContact CG2-CG2 3.92Å
788K25.1Very low39.9Very low202 Ų202121.1 Ų121.188%0.87868%0.677SS**  trans-86104.8161.7-82.7-177.6173.6179.40106.4
789G27.7Very low42.5Very low75 Ų75115.1 Ų115.177%0.77364%0.639SS**  trans154.5-2.2175.900000117.1
790V32.1Very low45.5Very low91 Ų91111.3 Ų111.355%0.55261%0.61SS**  trans-96.2109.8169-176.40000107.6I787 N792I787-V790 HydrophobicContact CG2-CG2 3.92Å; V790-N792 PolarHBondContact O-N 3.33Å
791D34.1Very low48.5Very low156 Ų156107 Ų10783%0.83458%0.58SS**  trans-56.5103.4166.3-78.9-36.7000108.5K793D791-K793 VanDerWaalsContact C-N 3.31Å; D791-K793 PolarHBondContact O-N 3.04Å
792N36.2Very low51.1Low160 Ų160102.1 Ų102.186%0.85655%0.547SS*.SBendtrans-61.170.9-176.6-99.1-14.6000113.8V790V790-N792 PolarHBondContact O-N 3.33Å
793K44.3Very low53.6Low188 Ų188102 Ų10282%0.81753%0.529SS*.  trans-136.530.1175.5-75.6-165.1179.4179.40115.6D791 A795D791-K793 VanDerWaalsContact C-N 3.31Å; D791-K793 PolarHBondContact O-N 3.04Å; K793-A795 PolarHBondContact O-N 2.78Å
794D55.5Low56Low67 Ų6794.5 Ų94.536%0.35850%0.5SS..  trans-83.894169.3-60.7-24.1000109P767P767-D794 WeakPolarHBondContact CB-OD1 3.45Å; P767-D794 HydrophobicContact CG-CB 4.14Å; P767-D794 WeakPolarHBondContact CG-OD1 3.47Å
795A66.6Low58.4Low24 Ų2492.5 Ų92.520%0.19848%0.482CS..PPolyproline II helixtrans-82.6117.117300000109.1K793 L811 D813K793-A795 PolarHBondContact O-N 2.78Å; A795-L811 HydrophobicContact CB-CB 4.18Å; A795-L811 HydrophobicContact CB-CD1 4.3Å; A795-D813 HydrophobicContact CB-CB 3.85Å; A795-D813 VanDerWaalsContact CB-CG 3.47Å
796Y76.9Confident61.3Low129 Ų12984.1 Ų84.151%0.50644%0.443SS..PPolyproline II helixtrans-78.1141.9-179.8-63.9-80.3000110.5W798 L811 S812Y796-W798 PolarHBondContact O-N 2.82Å; Y796-L811 CarbonylContact O-C 3.53Å; Y796-L811 VanDerWaalsContact O-CA 3.3Å; Y796-L811 WeakPolarHBondContact O-CA 3.41Å; Y796-S812 PolarHBondContact N-OG 2.85Å; Y796-S812 PolarHBondContact O-N 2.82Å
797V83.3Confident64.2Low10 Ų1079.5 Ų79.56%0.06141%0.411CS..EExtended strand (participates in β ladder)trans-72.5120.8170.3-176.70000108.7M730 L742 S799 F809 L811M730-V797 HydrophobicContact CE-CG1 4.27Å; M730-V797 WeakPolarHBondContact CE-O 3.4Å; M730-V797 HydrophobicContact SD-CG1 4Å; L742-V797 HydrophobicContact CD2-CB 3.57Å; L742-V797 HydrophobicContact CD2-CG1 3.62Å; L742-V797 HydrophobicContact CD2-CG2 3.68Å; V797-S799 WeakPolarHBondContact CG1-O 3.18Å; V797-F809 HydrophobicContact CG1-CD1 3.88Å; V797-F809 HydrophobicContact CG2-CD1 4.46Å; V797-L811 HydrophobicContact CB-CD2 4.07Å; V797-L811 HydrophobicContact CG2-CD2 3.46Å; V797-L811 VanDerWaalsContact CG2-CD2 3.46Å
798W85.7Confident67.1Low115 Ų11572.1 Ų72.144%0.43637%0.373SS..EExtended strand (participates in β ladder)trans-101-28.1177.1-82.110000112.4M730 Y796 G810 S812 V838 T839M730-W798 WeakPolarHBondContact CE-O 3.45Å; Y796-W798 PolarHBondContact O-N 2.82Å; W798-G810 PolarHBondContact N-O 2.89Å; W798-S812 VanDerWaalsContact CE2-CB 3.43Å; W798-S812 VanDerWaalsContact NE1-CB 3.29Å; W798-V838 WeakPolarHBondContact CB-O 3.3Å; W798-T839 HydrophobicContact CE3-CG2 4.03Å; W798-T839 HydrophobicContact CZ3-CG2 4.08Å
799S86.8Confident70.1Confident10 Ų1062.5 Ų62.57%0.0733%0.331CS..EExtended strand (participates in β ladder)trans-149150.8177.547.30000112.3V797 F809 G810 V838 T839 V841V797-S799 WeakPolarHBondContact CG1-O 3.18Å; S799-F809 WeakPolarHBondContact O-CA 3.47Å; S799-G810 PolarHBondContact N-O 2.81Å; S799-G810 VanDerWaalsContact N-O 3.16Å; S799-G810 PolarHBondContact O-N 2.77Å; S799-V838 PolarHBondContact OG-O 3.27Å; S799-T839 WeakPolarHBondContact CB-O 3.5Å; S799-V841 WeakPolarHBondContact OG-CG2 3.45Å
800M88Confident73Confident19 Ų1958.9 Ų58.99%0.09430%0.295CS..EExtended strand (participates in β ladder)trans-144.2137.8-178.7179178.669.200109.4M730 H732 L740 L742 L748 V807 A808 F809M730-M800 HydrophobicContact CB-CE 3.83Å; M730-M800 HydrophobicContact SD-CB 4.04Å; H732-M800 HydrophobicContact CB-CE 3.81Å; L740-M800 HydrophobicContact CD2-CE 3.92Å; L740-M800 HydrophobicContact CD2-CG 3.87Å; L740-M800 HydrophobicContact CD2-SD 3.39Å; L740-M800 WeakPolarHBondContact CD2-SD 3.41Å; L740-M800 HydrophobicContact CG-CE 4.07Å; L740-M800 HydrophobicContact CG-SD 3.87Å; L742-M800 HydrophobicContact CB-CE 4.35Å; L742-M800 HydrophobicContact CB-SD 4.09Å; L748-M800 HydrophobicContact CD1-SD 3.91Å; M800-V807 HydrophobicContact CG-CG1 4.42Å; M800-A808 WeakPolarHBondContact CA-O 2.74Å; M800-F809 HydrophobicContact CB-CD1 4.08Å; M800-F809 HydrophobicContact CB-CE1 4.26Å; M800-F809 HydrophobicContact CG-CD1 3.88Å; M800-F809 HydrophobicContact CG-CE1 3.63Å; M800-F809 HydrophobicContact SD-CD1 4.28Å; M800-F809 HydrophobicContact SD-CE1 3.52Å; M800-F809 VanDerWaalsContact SD-CE1 3.52Å; M800-F809 HydrophobicContact SD-CZ 4.31Å
801T88.6Confident75.7Confident12 Ų1254.7 Ų54.77%0.07427%0.269CS..EExtended strand (participates in β ladder)trans-144.5156.2169.9-178.70000109.3H732 A808 V841 M843H732-T801 PolarHBondContact NE2-OG1 3.43Å; T801-A808 HydrophobicContact CG2-CB 4Å; T801-A808 PolarHBondContact N-O 3.33Å; T801-A808 PolarHBondContact O-N 3.24Å; T801-V841 WeakPolarHBondContact CB-O 3.31Å; T801-V841 HydrophobicContact CG2-CB 3.8Å; T801-V841 HydrophobicContact CG2-CG1 3.37Å; T801-V841 WeakPolarHBondContact CG2-O 3.38Å; T801-M843 HydrophobicContact CG2-CE 4Å; T801-M843 HydrophobicContact CG2-CG 3.79Å; T801-M843 HydrophobicContact CG2-SD 4.47Å
802G83.6Confident78Confident8 Ų848.7 Ų48.78%0.08224%0.239CC..EExtended strand (participates in β ladder)trans-147152.5175.700000112H732 L806 M843H732-G802 PolarHBondContact CD2-N 3.42Å; H732-G802 PolarHBondContact NE2-N 2.9Å; H732-G802 VanDerWaalsContact NE2-N 3.13Å; H732-G802 PolarHBondContact NE2-O 3.27Å; G802-L806 CarbonylContact C-O 3.59Å; G802-L806 WeakPolarHBondContact CA-O 3.49Å; G802-M843 VanDerWaalsContact C-CE 3.43Å
803R80.7Confident80.2Confident113 Ų11343.1 Ų43.143%0.42621%0.209SC..EExtended strand (participates in β ladder)trans-145.1113.5-178.6-177.7-175.7-177.5-133.9-4.9108.7E805 L806 M843 G845R803-E805 PolarHBondContact O-N 2.66Å; R803-L806 PolarHBondContact N-O 3.49Å; R803-L806 PolarHBondContact O-N 3.22Å; R803-M843 HydrophobicContact CB-CE 3.71Å; R803-M843 VanDerWaalsContact N-CE 3.33Å; R803-G845 VanDerWaalsContact NH1-C 3.3Å; R803-G845 PolarHBondContact NH1-O 2.92Å
804G76.7Confident82.2Confident33 Ų3334.1 Ų34.134%0.3417%0.17SC..THydrogen-bonded Turntrans55.3-111.2-175.400000110.7
805E77.7Confident83.6Confident93 Ų9331.3 Ų31.344%0.43516%0.156SC..THydrogen-bonded Turntrans-93.3-7.9-176-51.1171.7169.200113R803 M821 N822R803-E805 PolarHBondContact O-N 2.66Å; E805-M821 VanDerWaalsContact O-CB 3.31Å; E805-M821 WeakPolarHBondContact O-CB 3.48Å; E805-M821 PolarHBondContact O-N 2.85Å; E805-N822 VanDerWaalsContact CG-OD1 3.23Å; E805-N822 WeakPolarHBondContact CG-OD1 3.49Å; E805-N822 PolarHBondContact OE1-ND2 2.86Å; E805-N822 PolarHBondContact OE1-OD1 3.44Å; E805-N822 PolarHBondContact OE2-ND2 2.8Å
806L85.4Confident84.7Confident9 Ų930.3 Ų30.35%0.04715%0.146CC..EExtended strand (participates in β ladder)trans-99.6135.4-176.1-63.7175.8000110.7G802 R803 L818 Y819 I828 L862 Y864 V872G802-L806 CarbonylContact C-O 3.59Å; G802-L806 WeakPolarHBondContact CA-O 3.49Å; R803-L806 PolarHBondContact N-O 3.49Å; R803-L806 PolarHBondContact O-N 3.22Å; L806-L818 HydrophobicContact CB-CD1 4.34Å; L806-Y819 WeakPolarHBondContact CA-O 3.01Å; L806-I828 HydrophobicContact CD2-CD1 3.34Å; L806-L862 HydrophobicContact CD1-CD1 3.94Å; L806-Y864 HydrophobicContact CD1-CE1 4.42Å; L806-V872 HydrophobicContact CD1-CG1 4.15Å; L806-V872 HydrophobicContact CD1-CG2 4.47Å; L806-V872 HydrophobicContact CD2-CB 4.41Å; L806-V872 HydrophobicContact CD2-CG1 4.45Å; L806-V872 HydrophobicContact CD2-CG2 4.18Å
807V86.1Confident85.2Confident0 Ų026.8 Ų26.80%013%0.132CC..EExtended strand (participates in β ladder)trans-127131173.3179.90000109.2L734 L740 L748 M800 F809 L818 Y819 M821L734-V807 HydrophobicContact CD2-CG2 4.38Å; L740-V807 HydrophobicContact CD1-CG2 4.27Å; L740-V807 HydrophobicContact CD2-CB 4.34Å; L740-V807 HydrophobicContact CD2-CG1 3.47Å; L740-V807 VanDerWaalsContact CD2-CG1 3.47Å; L740-V807 HydrophobicContact CD2-CG2 3.88Å; L748-V807 HydrophobicContact CD2-CG1 4.27Å; M800-V807 HydrophobicContact CG-CG1 4.42Å; V807-F809 HydrophobicContact CB-CE2 4.42Å; V807-F809 HydrophobicContact CG1-CD2 4.35Å; V807-F809 HydrophobicContact CG1-CE1 4.11Å; V807-F809 HydrophobicContact CG1-CE2 3.58Å; V807-F809 HydrophobicContact CG1-CZ 3.43Å; V807-F809 VanDerWaalsContact CG1-CZ 3.43Å; V807-L818 CarbonylContact O-C 3.6Å; V807-L818 WeakPolarHBondContact O-CA 3.37Å; V807-Y819 PolarHBondContact N-O 2.91Å; V807-Y819 PolarHBondContact O-N 3.36Å; V807-M821 HydrophobicContact CB-CG 4.47Å; V807-M821 HydrophobicContact CG2-CG 3.66Å; V807-M821 HydrophobicContact CG2-SD 4.37Å
808A88.1Confident85.4Confident0 Ų026.3 Ų26.30%013%0.13CC..EExtended strand (participates in β ladder)trans-121.9140.1-17700000111M800 T801 F816 R817 L818 V841 M843M800-A808 WeakPolarHBondContact CA-O 2.74Å; T801-A808 HydrophobicContact CG2-CB 4Å; T801-A808 PolarHBondContact N-O 3.33Å; T801-A808 PolarHBondContact O-N 3.24Å; A808-F816 HydrophobicContact CB-CE2 3.74Å; A808-F816 HydrophobicContact CB-CZ 3.93Å; A808-R817 CarbonylContact C-O 3.55Å; A808-R817 WeakPolarHBondContact CA-O 3.45Å; A808-L818 HydrophobicContact CB-CD1 3.83Å; A808-V841 HydrophobicContact CB-CG1 3.96Å; A808-M843 HydrophobicContact CB-CE 4.31Å; A808-M843 HydrophobicContact CB-SD 4Å
809F88Confident85.3Confident0 Ų021.5 Ų21.50%011%0.111CC..EExtended strand (participates in β ladder)trans-126.5137.4-178.3-58.7-81.4000111L748 L764 V797 S799 M800 V807 F816 R817 Y819L748-F809 HydrophobicContact CD1-CE1 3.94Å; L748-F809 HydrophobicContact CD1-CZ 3.64Å; L748-F809 HydrophobicContact CD2-CE2 4.35Å; L748-F809 HydrophobicContact CD2-CZ 3.7Å; L748-F809 HydrophobicContact CG-CZ 4.28Å; L764-F809 HydrophobicContact CD1-CE1 4.41Å; L764-F809 HydrophobicContact CD1-CE2 4.48Å; L764-F809 HydrophobicContact CD1-CZ 4.11Å; L764-F809 HydrophobicContact CD2-CD2 4.33Å; L764-F809 HydrophobicContact CD2-CE2 4.24Å; V797-F809 HydrophobicContact CG1-CD1 3.88Å; V797-F809 HydrophobicContact CG2-CD1 4.46Å; S799-F809 WeakPolarHBondContact O-CA 3.47Å; M800-F809 HydrophobicContact CB-CD1 4.08Å; M800-F809 HydrophobicContact CB-CE1 4.26Å; M800-F809 HydrophobicContact CG-CD1 3.88Å; M800-F809 HydrophobicContact CG-CE1 3.63Å; M800-F809 HydrophobicContact SD-CD1 4.28Å; M800-F809 HydrophobicContact SD-CE1 3.52Å; M800-F809 VanDerWaalsContact SD-CE1 3.52Å; M800-F809 HydrophobicContact SD-CZ 4.31Å; V807-F809 HydrophobicContact CB-CE2 4.42Å; V807-F809 HydrophobicContact CG1-CD2 4.35Å; V807-F809 HydrophobicContact CG1-CE1 4.11Å; V807-F809 HydrophobicContact CG1-CE2 3.58Å; V807-F809 HydrophobicContact CG1-CZ 3.43Å; V807-F809 VanDerWaalsContact CG1-CZ 3.43Å; F809-F816 WeakPolarHBondContact O-CA 3.43Å; F809-F816 WeakPolarHBondContact O-CD2 3.27Å; F809-R817 PolarHBondContact N-O 3.04Å; F809-R817 PolarHBondContact O-N 2.73Å; F809-Y819 AromaticContact CD2-CD2 3.53Å; F809-Y819 HydrophobicContact CD2-CD2 3.53Å; F809-Y819 AromaticContact CD2-CE2 3.63Å; F809-Y819 HydrophobicContact CD2-CE2 3.63Å; F809-Y819 AromaticContact CE2-CD2 3.43Å; F809-Y819 HydrophobicContact CE2-CD2 3.43Å; F809-Y819 VanDerWaalsContact CE2-CD2 3.43Å; F809-Y819 AromaticContact CE2-CE2 3.75Å; F809-Y819 HydrophobicContact CE2-CE2 3.75Å; F809-Y819 HydrophobicContact CE2-CG 4.33Å
810G88.7Confident85Confident0 Ų021.8 Ų21.80%011%0.112CC..EExtended strand (participates in β ladder)trans-105.5124.3165.500000110.1W798 S799W798-G810 PolarHBondContact N-O 2.89Å; S799-G810 PolarHBondContact N-O 2.81Å; S799-G810 VanDerWaalsContact N-O 3.16Å; S799-G810 PolarHBondContact O-N 2.77Å
811L88Confident84.3Confident3 Ų321.3 Ų21.32%0.01611%0.11CC..EExtended strand (participates in β ladder)trans-104.1157.9-177.4-61.1179000111.8A795 Y796 V797 D813 G814 T815 R817 G837 V838A795-L811 HydrophobicContact CB-CB 4.18Å; A795-L811 HydrophobicContact CB-CD1 4.3Å; Y796-L811 CarbonylContact O-C 3.53Å; Y796-L811 VanDerWaalsContact O-CA 3.3Å; Y796-L811 WeakPolarHBondContact O-CA 3.41Å; V797-L811 HydrophobicContact CB-CD2 4.07Å; V797-L811 HydrophobicContact CG2-CD2 3.46Å; V797-L811 VanDerWaalsContact CG2-CD2 3.46Å; L811-D813 VanDerWaalsContact C-N 3.27Å; L811-D813 WeakPolarHBondContact CB-OD1 3.39Å; L811-D813 PolarHBondContact O-N 3.26Å; L811-G814 PolarHBondContact O-N 3Å; L811-G814 VanDerWaalsContact O-N 3.13Å; L811-T815 WeakPolarHBondContact CB-O 3.39Å; L811-T815 VanDerWaalsContact CB-OG1 3.27Å; L811-T815 WeakPolarHBondContact CB-OG1 3.46Å; L811-T815 WeakPolarHBondContact CD1-OG1 3.41Å; L811-T815 WeakPolarHBondContact CG-OG1 3.19Å; L811-T815 PolarHBondContact N-O 3.44Å; L811-R817 HydrophobicContact CD1-CG 4.35Å; L811-G837 WeakPolarHBondContact O-CA 3.45Å; L811-V838 PolarHBondContact O-N 3.4Å
812S83.1Confident83.4Confident29 Ų2925.3 Ų25.320%0.20313%0.131CC..THydrogen-bonded Turntrans-66-26.1-178.568.90000113.7Y796 W798 G814 G837Y796-S812 PolarHBondContact N-OG 2.85Å; Y796-S812 PolarHBondContact O-N 2.82Å; W798-S812 VanDerWaalsContact CE2-CB 3.43Å; W798-S812 VanDerWaalsContact NE1-CB 3.29Å; S812-G814 PolarHBondContact O-N 2.89Å; S812-G837 WeakPolarHBondContact O-CA 3.38Å; S812-G837 PolarHBondContact O-N 2.86Å
813D82.5Confident82.6Confident43 Ų4329.9 Ų29.923%0.2315%0.152CC..THydrogen-bonded Turntrans-82.6-0.4176.976.6-22.5000113.3A795 L811 T815 R832 N835A795-D813 HydrophobicContact CB-CB 3.85Å; A795-D813 VanDerWaalsContact CB-CG 3.47Å; L811-D813 VanDerWaalsContact C-N 3.27Å; L811-D813 WeakPolarHBondContact CB-OD1 3.39Å; L811-D813 PolarHBondContact O-N 3.26Å; D813-T815 WeakPolarHBondContact OD1-CB 3.46Å; D813-T815 WeakPolarHBondContact OD1-CG2 3.45Å; D813-T815 PolarHBondContact OD1-N 3.37Å; D813-T815 PolarHBondContact OD1-OG1 2.8Å; D813-T815 VanDerWaalsContact OD2-CG2 3.25Å; D813-T815 WeakPolarHBondContact OD2-CG2 3.23Å; D813-T815 PolarHBondContact OD2-OG1 2.84Å; D813-R832 PolarHBondContact O-NE 2.75Å; D813-R832 PolarHBondContact O-NH2 2.9Å; D813-N835 CarbonylContact O-C 3.59Å; D813-N835 WeakPolarHBondContact O-CA 3.47Å
814G85.3Confident81.7Confident0 Ų027.2 Ų27.20%016%0.159CC..SBendtrans87.44.8-18000000115.7L811 S812 S834 V836 R852L811-G814 PolarHBondContact O-N 3Å; L811-G814 VanDerWaalsContact O-N 3.13Å; S812-G814 PolarHBondContact O-N 2.89Å; G814-S834 WeakPolarHBondContact CA-O 3.16Å; G814-V836 WeakPolarHBondContact CA-O 3.48Å; G814-R852 PolarHBondContact O-NH1 2.74Å
815T86.2Confident81.3Confident8 Ų826.1 Ų26.15%0.04915%0.148CC..EExtended strand (participates in β ladder)trans-73.6138.8172.556.20000111.1L811 D813 R832L811-T815 WeakPolarHBondContact CB-O 3.39Å; L811-T815 VanDerWaalsContact CB-OG1 3.27Å; L811-T815 WeakPolarHBondContact CB-OG1 3.46Å; L811-T815 WeakPolarHBondContact CD1-OG1 3.41Å; L811-T815 WeakPolarHBondContact CG-OG1 3.19Å; L811-T815 PolarHBondContact N-O 3.44Å; D813-T815 WeakPolarHBondContact OD1-CB 3.46Å; D813-T815 WeakPolarHBondContact OD1-CG2 3.45Å; D813-T815 PolarHBondContact OD1-N 3.37Å; D813-T815 PolarHBondContact OD1-OG1 2.8Å; D813-T815 VanDerWaalsContact OD2-CG2 3.25Å; D813-T815 WeakPolarHBondContact OD2-CG2 3.23Å; D813-T815 PolarHBondContact OD2-OG1 2.84Å; T815-R832 HydrophobicContact CG2-CB 3.77Å; T815-R832 HydrophobicContact CG2-CG 3.72Å
816F88.5Confident81.2Confident2 Ų225.9 Ų25.91%0.00915%0.15CC..EExtended strand (participates in β ladder)trans-110.5129170.7168.9-102.7000108.5A808 F809 L818 F829 E830 N831 V841 V848 L850 L860A808-F816 HydrophobicContact CB-CE2 3.74Å; A808-F816 HydrophobicContact CB-CZ 3.93Å; F809-F816 WeakPolarHBondContact O-CA 3.43Å; F809-F816 WeakPolarHBondContact O-CD2 3.27Å; F816-L818 HydrophobicContact CE1-CB 4.14Å; F816-L818 HydrophobicContact CZ-CB 4.28Å; F816-F829 AromaticContact CD1-CD1 3.85Å; F816-F829 HydrophobicContact CD1-CD1 3.85Å; F816-F829 HydrophobicContact CD1-CE1 4.01Å; F816-F829 AromaticContact CE1-CD1 3.88Å; F816-F829 HydrophobicContact CE1-CD1 3.88Å; F816-F829 HydrophobicContact CE1-CE1 4.25Å; F816-E830 WeakPolarHBondContact O-CA 3.46Å; F816-N831 PolarHBondContact N-O 2.77Å; F816-N831 PolarHBondContact O-N 3.05Å; F816-V841 HydrophobicContact CD2-CG1 4.47Å; F816-V841 HydrophobicContact CD2-CG2 4.34Å; F816-V841 HydrophobicContact CE2-CG1 3.78Å; F816-V841 HydrophobicContact CE2-CG2 4.42Å; F816-V848 HydrophobicContact CE2-CG1 4.08Å; F816-V848 HydrophobicContact CZ-CG1 3.91Å; F816-L850 HydrophobicContact CB-CD1 3.73Å; F816-L850 HydrophobicContact CD1-CD1 4.49Å; F816-L850 HydrophobicContact CD2-CD1 3.91Å; F816-L850 HydrophobicContact CD2-CD2 3.31Å; F816-L850 HydrophobicContact CD2-CG 4.26Å; F816-L850 HydrophobicContact CE2-CD2 3.47Å; F816-L850 VanDerWaalsContact CE2-CD2 3.47Å; F816-L850 HydrophobicContact CG-CD1 3.79Å; F816-L850 HydrophobicContact CG-CD2 4.04Å; F816-L850 HydrophobicContact CZ-CD2 4.33Å; F816-L860 HydrophobicContact CD1-CD1 3.85Å; F816-L860 HydrophobicContact CE1-CD1 3.67Å; F816-L860 HydrophobicContact CG-CD1 4.36Å; F816-L860 HydrophobicContact CZ-CD1 4.02Å
817R87.7Confident80.8Confident56 Ų5629 Ų2921%0.21117%0.167CC..EExtended strand (participates in β ladder)trans-124.7130.6179.4-68.1-177.4174.1163.6-2.4110.9A808 F809 L811 Y819 L827 F829 E830A808-R817 CarbonylContact C-O 3.55Å; A808-R817 WeakPolarHBondContact CA-O 3.45Å; F809-R817 PolarHBondContact N-O 3.04Å; F809-R817 PolarHBondContact O-N 2.73Å; L811-R817 HydrophobicContact CD1-CG 4.35Å; R817-Y819 HydrophobicContact CB-CD2 4.31Å; R817-Y819 HydrophobicContact CB-CE2 3.68Å; R817-L827 HydrophobicContact CB-CD1 3.86Å; R817-L827 HydrophobicContact CG-CD1 4.08Å; R817-F829 CarbonylContact C-O 3.57Å; R817-F829 WeakPolarHBondContact CA-O 3.27Å; R817-E830 HydrophobicContact CG-CB 4.31Å; R817-E830 HydrophobicContact CG-CG 4.04Å; R817-E830 IonicContact CZ-OE1 3.82Å; R817-E830 VanDerWaalsContact CZ-OE1 3.26Å; R817-E830 IonicContact NE-OE1 3.65Å; R817-E830 PolarHBondContact NE-OE1 3.42Å; R817-E830 IonicContact NH2-OE1 2.75Å; R817-E830 PolarHBondContact NH2-OE1 2.67Å
818L87.2Confident80.4Confident0 Ų031.3 Ų31.30%018%0.178CC..EExtended strand (participates in β ladder)trans-115.3128.9175-176.372.1000109.5L806 V807 A808 F816 I828 F829 M843 L862 C874L806-L818 HydrophobicContact CB-CD1 4.34Å; V807-L818 CarbonylContact O-C 3.6Å; V807-L818 WeakPolarHBondContact O-CA 3.37Å; A808-L818 HydrophobicContact CB-CD1 3.83Å; F816-L818 HydrophobicContact CE1-CB 4.14Å; F816-L818 HydrophobicContact CZ-CB 4.28Å; L818-I828 HydrophobicContact CD2-CB 4.35Å; L818-I828 HydrophobicContact CD2-CD1 4.16Å; L818-I828 HydrophobicContact CD2-CG2 4.34Å; L818-I828 HydrophobicContact CG-CB 4.42Å; L818-I828 HydrophobicContact CG-CD1 4.15Å; L818-I828 WeakPolarHBondContact O-CB 3.27Å; L818-I828 PolarHBondContact O-N 2.91Å; L818-F829 HydrophobicContact CB-CB 4.08Å; L818-F829 PolarHBondContact N-O 2.95Å; L818-F829 PolarHBondContact O-N 3.5Å; L818-M843 HydrophobicContact CD1-SD 4.37Å; L818-L862 HydrophobicContact CD2-CD2 3.5Å; L818-L862 VanDerWaalsContact CD2-CD2 3.5Å; L818-C874 HydrophobicContact CD2-CB 4.25Å
819Y84Confident80.2Confident14 Ų1433 Ų336%0.05519%0.186CC..EExtended strand (participates in β ladder)trans-117.2144.6-178.7-71.9-92.6000111.3L764 L806 V807 F809 R817 G825 N826 L827L764-Y819 HydrophobicContact CD2-CE2 3.77Å; L764-Y819 WeakPolarHBondContact CD2-OH 3.42Å; L806-Y819 WeakPolarHBondContact CA-O 3.01Å; V807-Y819 PolarHBondContact N-O 2.91Å; V807-Y819 PolarHBondContact O-N 3.36Å; F809-Y819 AromaticContact CD2-CD2 3.53Å; F809-Y819 HydrophobicContact CD2-CD2 3.53Å; F809-Y819 AromaticContact CD2-CE2 3.63Å; F809-Y819 HydrophobicContact CD2-CE2 3.63Å; F809-Y819 AromaticContact CE2-CD2 3.43Å; F809-Y819 HydrophobicContact CE2-CD2 3.43Å; F809-Y819 VanDerWaalsContact CE2-CD2 3.43Å; F809-Y819 AromaticContact CE2-CE2 3.75Å; F809-Y819 HydrophobicContact CE2-CE2 3.75Å; F809-Y819 HydrophobicContact CE2-CG 4.33Å; R817-Y819 HydrophobicContact CB-CD2 4.31Å; R817-Y819 HydrophobicContact CB-CE2 3.68Å; Y819-G825 WeakPolarHBondContact CD1-O 3.48Å; Y819-N826 CarbonylContact C-O 3.55Å; Y819-N826 WeakPolarHBondContact CA-O 3.48Å; Y819-L827 HydrophobicContact CD1-CB 4.11Å; Y819-L827 HydrophobicContact CD1-CD1 4.4Å; Y819-L827 HydrophobicContact CD2-CD1 4.27Å; Y819-L827 HydrophobicContact CE1-CB 3.74Å; Y819-L827 HydrophobicContact CE1-CD1 3.96Å; Y819-L827 HydrophobicContact CE1-CG 4.45Å; Y819-L827 HydrophobicContact CE2-CD1 3.85Å
820N80.2Confident80Confident16 Ų1637.3 Ų37.39%0.08621%0.206CC..EExtended strand (participates in β ladder)trans-101.2120.6168.7-168.2-16.9000109.2N822 G825 N826 I828N820-N822 PolarHBondContact OD1-N 2.83Å; N820-N822 VanDerWaalsContact OD1-N 3.09Å; N820-G825 CarbonylContact O-C 3.38Å; N820-G825 VanDerWaalsContact O-CA 3.29Å; N820-G825 WeakPolarHBondContact O-CA 3.27Å; N820-G825 PolarHBondContact O-N 2.8Å; N820-N826 PolarHBondContact N-O 3.06Å; N820-N826 PolarHBondContact O-N 3.43Å; N820-N826 VanDerWaalsContact O-N 3.09Å; N820-I828 HydrophobicContact CB-CD1 3.47Å; N820-I828 VanDerWaalsContact CB-CD1 3.47Å; N820-I828 HydrophobicContact CB-CG1 3.65Å
821M74Confident79.8Confident8 Ų839.3 Ų39.34%0.03922%0.216CC..THydrogen-bonded Turntrans-84.5-20.9-176.3-66.2-49.6-36.600115.2L748 I750 F762 E805 V807 I823L748-M821 HydrophobicContact CD2-SD 4.35Å; I750-M821 HydrophobicContact CD1-CB 4.02Å; I750-M821 HydrophobicContact CD1-CE 4.01Å; I750-M821 HydrophobicContact CD1-CG 3.9Å; I750-M821 HydrophobicContact CD1-SD 4.47Å; F762-M821 HydrophobicContact CD1-CE 3.69Å; F762-M821 HydrophobicContact CE1-CE 3.05Å; F762-M821 HydrophobicContact CE1-SD 3.41Å; F762-M821 WeakPolarHBondContact CE1-SD 3.36Å; F762-M821 HydrophobicContact CZ-CE 3.7Å; F762-M821 HydrophobicContact CZ-SD 3.44Å; F762-M821 WeakPolarHBondContact CZ-SD 3.3Å; E805-M821 VanDerWaalsContact O-CB 3.31Å; E805-M821 WeakPolarHBondContact O-CB 3.48Å; E805-M821 PolarHBondContact O-N 2.85Å; V807-M821 HydrophobicContact CB-CG 4.47Å; V807-M821 HydrophobicContact CG2-CG 3.66Å; V807-M821 HydrophobicContact CG2-SD 4.37Å; M821-I823 PolarHBondContact O-N 3.21Å
822N70.5Confident79.6Confident96 Ų9645 Ų4551%0.51324%0.238SC..THydrogen-bonded Turntrans-63.3-28.6179.5-88.913.4000114.1E805 N820E805-N822 VanDerWaalsContact CG-OD1 3.23Å; E805-N822 WeakPolarHBondContact CG-OD1 3.49Å; E805-N822 PolarHBondContact OE1-ND2 2.86Å; E805-N822 PolarHBondContact OE1-OD1 3.44Å; E805-N822 PolarHBondContact OE2-ND2 2.8Å; N820-N822 PolarHBondContact OD1-N 2.83Å; N820-N822 VanDerWaalsContact OD1-N 3.09Å
823I65.1Low79.4Confident105 Ų10546.6 Ų46.654%0.53824%0.243SC..THydrogen-bonded Turntrans-111.843.4-172.1-41.8174.8000109.5M821 G825 N826M821-I823 PolarHBondContact O-N 3.21Å; I823-G825 PolarHBondContact O-N 2.95Å; I823-N826 WeakPolarHBondContact CG2-ND2 3.41Å; I823-N826 PolarHBondContact O-ND2 2.92Å
824G62.6Low79.4Confident56 Ų5646 Ų4658%0.57724%0.243SC*.THydrogen-bonded Turntrans70.527.1175.600000115.2
825G67.7Low79.4Confident10 Ų1051.9 Ų51.910%0.10327%0.274CS..SBendtrans79.743.6176.300000114.2Y819 N820 I823Y819-G825 WeakPolarHBondContact CD1-O 3.48Å; N820-G825 CarbonylContact O-C 3.38Å; N820-G825 VanDerWaalsContact O-CA 3.29Å; N820-G825 WeakPolarHBondContact O-CA 3.27Å; N820-G825 PolarHBondContact O-N 2.8Å; I823-G825 PolarHBondContact O-N 2.95Å
826N75.4Confident79.5Confident89 Ų8953.2 Ų53.248%0.47628%0.283SS..EExtended strand (participates in β ladder)trans-74132.9177.4-78.1-25.7000111.6Y819 N820 I823 I828Y819-N826 CarbonylContact C-O 3.55Å; Y819-N826 WeakPolarHBondContact CA-O 3.48Å; N820-N826 PolarHBondContact N-O 3.06Å; N820-N826 PolarHBondContact O-N 3.43Å; N820-N826 VanDerWaalsContact O-N 3.09Å; I823-N826 WeakPolarHBondContact CG2-ND2 3.41Å; I823-N826 PolarHBondContact O-ND2 2.92Å; N826-I828 PolarHBondContact O-N 3.36Å
827L77.1Confident79.4Confident75 Ų7553.3 Ų53.339%0.39328%0.284SS..EExtended strand (participates in β ladder)trans-66.7117170.2-179.770.8000109.2R817 Y819 E830R817-L827 HydrophobicContact CB-CD1 3.86Å; R817-L827 HydrophobicContact CG-CD1 4.08Å; Y819-L827 HydrophobicContact CD1-CB 4.11Å; Y819-L827 HydrophobicContact CD1-CD1 4.4Å; Y819-L827 HydrophobicContact CD2-CD1 4.27Å; Y819-L827 HydrophobicContact CE1-CB 3.74Å; Y819-L827 HydrophobicContact CE1-CD1 3.96Å; Y819-L827 HydrophobicContact CE1-CG 4.45Å; Y819-L827 HydrophobicContact CE2-CD1 3.85Å; L827-E830 HydrophobicContact CD1-CB 4.29Å; L827-E830 HydrophobicContact CD2-CB 3.98Å; L827-E830 HydrophobicContact CG-CB 4.46Å
828I79Confident79.6Confident48 Ų4850.6 Ų50.625%0.24627%0.274CS..EExtended strand (participates in β ladder)trans-86.2-45.8178.6-56.8176.9000110.6L806 L818 N820 N826 V872L806-I828 HydrophobicContact CD2-CD1 3.34Å; L818-I828 HydrophobicContact CD2-CB 4.35Å; L818-I828 HydrophobicContact CD2-CD1 4.16Å; L818-I828 HydrophobicContact CD2-CG2 4.34Å; L818-I828 HydrophobicContact CG-CB 4.42Å; L818-I828 HydrophobicContact CG-CD1 4.15Å; L818-I828 WeakPolarHBondContact O-CB 3.27Å; L818-I828 PolarHBondContact O-N 2.91Å; N820-I828 HydrophobicContact CB-CD1 3.47Å; N820-I828 VanDerWaalsContact CB-CD1 3.47Å; N820-I828 HydrophobicContact CB-CG1 3.65Å; N826-I828 PolarHBondContact O-N 3.36Å; I828-V872 HydrophobicContact CD1-CB 4.17Å; I828-V872 HydrophobicContact CG2-CB 4.48Å; I828-V872 WeakPolarHBondContact CG2-O 3.38Å
829F83Confident79.7Confident36 Ų3652.3 Ų52.316%0.15828%0.284CS..EExtended strand (participates in β ladder)trans-148.8131.7-170.3-176.7-103.7000109.7F816 R817 L818 N831 C874 V876F816-F829 AromaticContact CD1-CD1 3.85Å; F816-F829 HydrophobicContact CD1-CD1 3.85Å; F816-F829 HydrophobicContact CD1-CE1 4.01Å; F816-F829 AromaticContact CE1-CD1 3.88Å; F816-F829 HydrophobicContact CE1-CD1 3.88Å; F816-F829 HydrophobicContact CE1-CE1 4.25Å; R817-F829 CarbonylContact C-O 3.57Å; R817-F829 WeakPolarHBondContact CA-O 3.27Å; L818-F829 HydrophobicContact CB-CB 4.08Å; L818-F829 PolarHBondContact N-O 2.95Å; L818-F829 PolarHBondContact O-N 3.5Å; F829-N831 HydrophobicContact CD1-CB 4.22Å; F829-N831 HydrophobicContact CE1-CB 3.43Å; F829-N831 VanDerWaalsContact CE1-CB 3.43Å; F829-N831 HydrophobicContact CE2-CB 4.48Å; F829-N831 HydrophobicContact CZ-CB 3.61Å; F829-C874 HydrophobicContact CB-CB 3.89Å; F829-C874 HydrophobicContact CD1-CB 3.59Å; F829-C874 HydrophobicContact CD2-CB 3.84Å; F829-C874 WeakPolarHBondContact CD2-O 3.28Å; F829-C874 HydrophobicContact CE1-CB 3.9Å; F829-C874 HydrophobicContact CE2-CB 4.16Å; F829-C874 WeakPolarHBondContact CE2-O 3.17Å; F829-C874 HydrophobicContact CG-CB 3.52Å; F829-C874 HydrophobicContact CZ-CB 4.16Å; F829-V876 HydrophobicContact CZ-CG2 4.46Å
830E84.3Confident80Confident89 Ų8954.2 Ų54.242%0.41629%0.293SS..EExtended strand (participates in β ladder)trans-131.2127.6171.7175.3169.1-151.500107.7F816 R817 L827F816-E830 WeakPolarHBondContact O-CA 3.46Å; R817-E830 HydrophobicContact CG-CB 4.31Å; R817-E830 HydrophobicContact CG-CG 4.04Å; R817-E830 IonicContact CZ-OE1 3.82Å; R817-E830 VanDerWaalsContact CZ-OE1 3.26Å; R817-E830 IonicContact NE-OE1 3.65Å; R817-E830 PolarHBondContact NE-OE1 3.42Å; R817-E830 IonicContact NH2-OE1 2.75Å; R817-E830 PolarHBondContact NH2-OE1 2.67Å; L827-E830 HydrophobicContact CD1-CB 4.29Å; L827-E830 HydrophobicContact CD2-CB 3.98Å; L827-E830 HydrophobicContact CG-CB 4.46Å
831N83.8Confident80.6Confident42 Ų4253.7 Ų53.723%0.22529%0.29CS..EExtended strand (participates in β ladder)trans-143.5134178.3-165.4-24.6000110.7F816 F829 L833 V876F816-N831 PolarHBondContact N-O 2.77Å; F816-N831 PolarHBondContact O-N 3.05Å; F829-N831 HydrophobicContact CD1-CB 4.22Å; F829-N831 HydrophobicContact CE1-CB 3.43Å; F829-N831 VanDerWaalsContact CE1-CB 3.43Å; F829-N831 HydrophobicContact CE2-CB 4.48Å; F829-N831 HydrophobicContact CZ-CB 3.61Å; N831-L833 WeakPolarHBondContact OD1-CD2 3.43Å; N831-V876 WeakPolarHBondContact ND2-CG2 3.18Å
832R83.7Confident81.5Confident124 Ų12454.9 Ų54.947%0.46830%0.297SS..EExtended strand (participates in β ladder)trans-111.788172.7-163.8178.1-170.8-167.72.2109.3D813 T815 S834 N835D813-R832 PolarHBondContact O-NE 2.75Å; D813-R832 PolarHBondContact O-NH2 2.9Å; T815-R832 HydrophobicContact CG2-CB 3.77Å; T815-R832 HydrophobicContact CG2-CG 3.72Å; R832-S834 VanDerWaalsContact C-N 3.32Å; R832-N835 PolarHBondContact NE-OD1 3.13Å; R832-N835 VanDerWaalsContact NE-OD1 3.12Å; R832-N835 PolarHBondContact NH1-OD1 3.48Å; R832-N835 PolarHBondContact NH2-OD1 2.85Å; R832-N835 VanDerWaalsContact NH2-OD1 3.12Å
833L79.2Confident82.4Confident61 Ų6151.6 Ų51.632%0.31928%0.279SS..SBendtrans-74.5-26.2-179.5-55.6164.7000112.4N831 D858 V876N831-L833 WeakPolarHBondContact OD1-CD2 3.43Å; L833-D858 HydrophobicContact CD1-CB 3.97Å; L833-D858 VanDerWaalsContact CD1-OD2 3.29Å; L833-D858 WeakPolarHBondContact CD1-OD2 3.45Å; L833-V876 HydrophobicContact CD1-CG1 4.2Å; L833-V876 HydrophobicContact CD1-CG2 4.23Å; L833-V876 HydrophobicContact CD2-CB 4.47Å; L833-V876 HydrophobicContact CD2-CG1 4.11Å; L833-V876 HydrophobicContact CD2-CG2 3.67Å; L833-V876 HydrophobicContact CG-CG2 4.48Å
834S82.4Confident83.5Confident32 Ų3249.7 Ų49.722%0.22427%0.27CS..  trans-155.1168.1171.970.20000110.8G814 R832 V836 R852G814-S834 WeakPolarHBondContact CA-O 3.16Å; R832-S834 VanDerWaalsContact C-N 3.32Å; S834-V836 PolarHBondContact O-N 2.93Å; S834-V836 PolarHBondContact OG-N 3.48Å; S834-R852 WeakPolarHBondContact OG-CD 3.48Å; S834-R852 VanDerWaalsContact OG-CZ 3.3Å; S834-R852 PolarHBondContact OG-NE 3.31Å; S834-R852 PolarHBondContact OG-NH1 2.92Å
835N86Confident84.6Confident122 Ų12248.1 Ų48.165%0.65225%0.254SS*.SBendtrans-82.420.3174.5-65.5-11.6000112.8D813 R832D813-N835 CarbonylContact O-C 3.59Å; D813-N835 WeakPolarHBondContact O-CA 3.47Å; R832-N835 PolarHBondContact NE-OD1 3.13Å; R832-N835 VanDerWaalsContact NE-OD1 3.12Å; R832-N835 PolarHBondContact NH1-OD1 3.48Å; R832-N835 PolarHBondContact NH2-OD1 2.85Å; R832-N835 VanDerWaalsContact NH2-OD1 3.12Å
836V87.9Confident85.6Confident37 Ų3751.5 Ų51.522%0.22427%0.269CS..SBendtrans-109.3125.9-176.1-178.50000109.1G814 S834 R852 S853 N854G814-V836 WeakPolarHBondContact CA-O 3.48Å; S834-V836 PolarHBondContact O-N 2.93Å; S834-V836 PolarHBondContact OG-N 3.48Å; V836-R852 HydrophobicContact CG1-CB 4.2Å; V836-R852 PolarHBondContact O-NH1 3.28Å; V836-S853 WeakPolarHBondContact CG1-OG 3.37Å; V836-N854 HydrophobicContact CG1-CB 3.86Å; V836-N854 HydrophobicContact CG2-CB 4.47Å
837G87.6Confident86.3Confident3 Ų349.9 Ų49.93%0.03126%0.257CS..  trans-56.2144.7-176.800000114.3L811 S812 R852 S853L811-G837 WeakPolarHBondContact O-CA 3.45Å; S812-G837 WeakPolarHBondContact O-CA 3.38Å; S812-G837 PolarHBondContact O-N 2.86Å; G837-R852 WeakPolarHBondContact O-CA 3.41Å; G837-S853 PolarHBondContact O-N 2.77Å
838V90.8Very high87Confident0 Ų046.3 Ų46.30%024%0.238CC..EExtended strand (participates in β ladder)trans-92.7107-178.6179.40000109.3W798 S799 L811 V841 L850 A851W798-V838 WeakPolarHBondContact CB-O 3.3Å; S799-V838 PolarHBondContact OG-O 3.27Å; L811-V838 PolarHBondContact O-N 3.4Å; V838-V841 HydrophobicContact CG1-CG2 3.63Å; V838-L850 HydrophobicContact CG1-CB 4.07Å; V838-L850 HydrophobicContact CG1-CD2 4.44Å; V838-A851 CarbonylContact C-O 3.55Å; V838-A851 VanDerWaalsContact CA-O 3.3Å; V838-A851 WeakPolarHBondContact CA-O 3.42Å; V838-A851 WeakPolarHBondContact CG1-O 3.34Å
839T89.4Confident87.8Confident35 Ų3544.2 Ų44.222%0.21523%0.227CC..EExtended strand (participates in β ladder)trans-77.8-33.8-173.652.30000113W798 S799 A851W798-T839 HydrophobicContact CE3-CG2 4.03Å; W798-T839 HydrophobicContact CZ3-CG2 4.08Å; S799-T839 WeakPolarHBondContact CB-O 3.5Å; T839-A851 PolarHBondContact N-O 2.9Å; T839-A851 PolarHBondContact OG1-O 2.86Å
840E90.9Very high88.3Confident55 Ų5542.5 Ų42.526%0.25722%0.22SC..EExtended strand (participates in β ladder)trans-147.1141.7179.2-164.4166.2-174.100110.7L842 A851 L890E840-L842 HydrophobicContact CG-CD2 4.45Å; E840-L842 HydrophobicContact CG-CG 4.43Å; E840-A851 HydrophobicContact CB-CB 4.09Å; E840-A851 PolarHBondContact O-N 3.21Å; E840-L890 HydrophobicContact CG-CB 4.38Å; E840-L890 WeakPolarHBondContact OE2-CB 3.36Å; E840-L890 PolarHBondContact OE2-N 3.15Å
841V92.8Very high88.8Confident4 Ų438.2 Ų38.22%0.02420%0.2CC..EExtended strand (participates in β ladder)trans-124.5127174-179.50000107.9S799 T801 A808 F816 V838 V848 V849 L850S799-V841 WeakPolarHBondContact OG-CG2 3.45Å; T801-V841 WeakPolarHBondContact CB-O 3.31Å; T801-V841 HydrophobicContact CG2-CB 3.8Å; T801-V841 HydrophobicContact CG2-CG1 3.37Å; T801-V841 WeakPolarHBondContact CG2-O 3.38Å; A808-V841 HydrophobicContact CB-CG1 3.96Å; F816-V841 HydrophobicContact CD2-CG1 4.47Å; F816-V841 HydrophobicContact CD2-CG2 4.34Å; F816-V841 HydrophobicContact CE2-CG1 3.78Å; F816-V841 HydrophobicContact CE2-CG2 4.42Å; V838-V841 HydrophobicContact CG1-CG2 3.63Å; V841-V848 HydrophobicContact CG1-CG1 3.92Å; V841-V849 WeakPolarHBondContact CA-O 3.48Å; V841-L850 HydrophobicContact CB-CD2 4.2Å; V841-L850 HydrophobicContact CG1-CD2 3.73Å; V841-L850 HydrophobicContact CG2-CD2 3.68Å
842L92.3Very high89.2Confident33 Ų3336.4 Ų36.417%0.17319%0.19CC..EExtended strand (participates in β ladder)trans-123.1139.6175-63.4179.9000110.6E840 V848 V849 L890 V892E840-L842 HydrophobicContact CG-CD2 4.45Å; E840-L842 HydrophobicContact CG-CG 4.43Å; L842-V848 CarbonylContact O-C 3.49Å; L842-V848 WeakPolarHBondContact O-CA 3.48Å; L842-V848 WeakPolarHBondContact O-CG1 3.41Å; L842-V849 PolarHBondContact N-O 3.13Å; L842-V849 PolarHBondContact O-N 3.08Å; L842-L890 HydrophobicContact CD1-CB 3.83Å; L842-L890 HydrophobicContact CD1-CD2 3.5Å; L842-L890 VanDerWaalsContact CD1-CD2 3.5Å; L842-L890 HydrophobicContact CD1-CG 3.43Å; L842-L890 VanDerWaalsContact CD1-CG 3.43Å; L842-L890 HydrophobicContact CG-CD2 3.91Å; L842-L890 HydrophobicContact CG-CG 4.35Å; L842-V892 HydrophobicContact CB-CG2 4.36Å; L842-V892 HydrophobicContact CD1-CG2 3.95Å
843M89.7Confident89.5Confident27 Ų2732.1 Ų32.113%0.13318%0.178CC..EExtended strand (participates in β ladder)trans-117.3120.2173-61.6-164-73.900109.9T801 G802 R803 A808 L818 V848T801-M843 HydrophobicContact CG2-CE 4Å; T801-M843 HydrophobicContact CG2-CG 3.79Å; T801-M843 HydrophobicContact CG2-SD 4.47Å; G802-M843 VanDerWaalsContact C-CE 3.43Å; R803-M843 HydrophobicContact CB-CE 3.71Å; R803-M843 VanDerWaalsContact N-CE 3.33Å; A808-M843 HydrophobicContact CB-CE 4.31Å; A808-M843 HydrophobicContact CB-SD 4Å; L818-M843 HydrophobicContact CD1-SD 4.37Å; M843-V848 HydrophobicContact CB-CG2 4.5Å; M843-V848 HydrophobicContact CG-CB 4.42Å; M843-V848 HydrophobicContact CG-CG1 4.05Å; M843-V848 HydrophobicContact CG-CG2 3.82Å; M843-V848 HydrophobicContact SD-CG2 4.18Å
844N88Confident90Very high66 Ų6631.6 Ų31.635%0.35318%0.176SC..EExtended strand (participates in β ladder)trans-127.7113.6172-17527.7000110.4N846 R847 V892 N894N844-N846 PolarHBondContact O-N 2.85Å; N844-R847 PolarHBondContact N-O 2.78Å; N844-R847 PolarHBondContact O-N 2.87Å; N844-V892 HydrophobicContact CB-CB 4.34Å; N844-V892 HydrophobicContact CB-CG1 3.78Å; N844-V892 HydrophobicContact CB-CG2 4.32Å; N844-V892 WeakPolarHBondContact ND2-CG1 3.35Å; N844-N894 PolarHBondContact ND2-O 3.09Å
845G85.3Confident90.4Very high23 Ų2330 Ų3024%0.23717%0.165CC..THydrogen-bonded Turntrans57.7-123.8-176.100000111.9R803R803-G845 VanDerWaalsContact NH1-C 3.3Å; R803-G845 PolarHBondContact NH1-O 2.92Å
846N88.7Confident90.8Very high81 Ų8127 Ų2743%0.43315%0.146SC..THydrogen-bonded Turntrans-91.34.7176.9-65.61.7000112.8N844 E861 L862 Y864N844-N846 PolarHBondContact O-N 2.85Å; N846-E861 CarbonylContact O-C 3.57Å; N846-E861 VanDerWaalsContact O-CA 3.28Å; N846-E861 WeakPolarHBondContact O-CA 3.41Å; N846-L862 PolarHBondContact O-N 3.42Å; N846-Y864 WeakPolarHBondContact OD1-CE2 3.36Å
847R91.3Very high91.2Very high55 Ų5525.2 Ų25.221%0.20814%0.135CC..EExtended strand (participates in β ladder)trans-104.1139.7179.8-66.2-72.8-167.6-121.75.9110.1N844 L860 E861 I877 L911N844-R847 PolarHBondContact N-O 2.78Å; N844-R847 PolarHBondContact O-N 2.87Å; R847-L860 WeakPolarHBondContact CA-O 3.42Å; R847-E861 IonicContact CZ-OE2 2.88Å; R847-E861 VanDerWaalsContact NH1-CG 3.3Å; R847-E861 IonicContact NH1-OE1 3.18Å; R847-E861 IonicContact NH1-OE2 3.91Å; R847-E861 PolarHBondContact NH1-OE2 2.78Å; R847-I877 VanDerWaalsContact CZ-CD1 3.41Å; R847-I877 VanDerWaalsContact NH1-CD1 3.26Å; R847-L911 HydrophobicContact CB-CD2 3.95Å; R847-L911 HydrophobicContact CG-CD2 4.24Å; R847-L911 PolarHBondContact NE-O 3.13Å
848V91.9Very high91.5Very high0 Ų025.1 Ų25.10%014%0.135CC..EExtended strand (participates in β ladder)trans-121.2133.9168.9-176.30000108.1F816 V841 L842 M843 L850 L860 L862F816-V848 HydrophobicContact CE2-CG1 4.08Å; F816-V848 HydrophobicContact CZ-CG1 3.91Å; V841-V848 HydrophobicContact CG1-CG1 3.92Å; L842-V848 CarbonylContact O-C 3.49Å; L842-V848 WeakPolarHBondContact O-CA 3.48Å; L842-V848 WeakPolarHBondContact O-CG1 3.41Å; M843-V848 HydrophobicContact CB-CG2 4.5Å; M843-V848 HydrophobicContact CG-CB 4.42Å; M843-V848 HydrophobicContact CG-CG1 4.05Å; M843-V848 HydrophobicContact CG-CG2 3.82Å; M843-V848 HydrophobicContact SD-CG2 4.18Å; V848-L850 HydrophobicContact CG1-CD2 4.04Å; V848-L860 HydrophobicContact CB-CB 4.04Å; V848-L860 HydrophobicContact CB-CD1 4.24Å; V848-L860 HydrophobicContact CG1-CD1 4.2Å; V848-L860 PolarHBondContact N-O 3.47Å; V848-L860 PolarHBondContact O-N 3.22Å; V848-L862 HydrophobicContact CG2-CD1 3.88Å; V848-L862 HydrophobicContact CG2-CD2 3.96Å; V848-L862 HydrophobicContact CG2-CG 3.76Å
849V94.2Very high91.6Very high3 Ų325.2 Ų25.22%0.01814%0.135CC..EExtended strand (participates in β ladder)trans-119.5128.4-179.1-175.80000108.2V841 L842 L857 D858 F859 L890 V897 L911V841-V849 WeakPolarHBondContact CA-O 3.48Å; L842-V849 PolarHBondContact N-O 3.13Å; L842-V849 PolarHBondContact O-N 3.08Å; V849-L857 HydrophobicContact CG1-CD2 4.14Å; V849-D858 CarbonylContact C-O 3.39Å; V849-D858 VanDerWaalsContact CA-O 3.32Å; V849-D858 WeakPolarHBondContact CA-O 3.41Å; V849-F859 HydrophobicContact CG1-CD1 4.4Å; V849-F859 HydrophobicContact CG1-CE1 4.12Å; V849-F859 HydrophobicContact CG1-CZ 4.47Å; V849-F859 HydrophobicContact CG2-CD1 3.76Å; V849-F859 HydrophobicContact CG2-CE1 3.84Å; V849-L890 HydrophobicContact CG1-CD2 4.01Å; V849-V897 HydrophobicContact CG1-CG1 4.33Å; V849-V897 HydrophobicContact CG2-CG2 3.86Å; V849-L911 HydrophobicContact CG2-CD2 3.9Å
850L94.2Very high91.8Very high0 Ų023.6 Ų23.60%013%0.125CC..EExtended strand (participates in β ladder)trans-111127176.2-45-178.5000109.5F816 V838 V841 V848 L857 D858 L860F816-L850 HydrophobicContact CB-CD1 3.73Å; F816-L850 HydrophobicContact CD1-CD1 4.49Å; F816-L850 HydrophobicContact CD2-CD1 3.91Å; F816-L850 HydrophobicContact CD2-CD2 3.31Å; F816-L850 HydrophobicContact CD2-CG 4.26Å; F816-L850 HydrophobicContact CE2-CD2 3.47Å; F816-L850 VanDerWaalsContact CE2-CD2 3.47Å; F816-L850 HydrophobicContact CG-CD1 3.79Å; F816-L850 HydrophobicContact CG-CD2 4.04Å; F816-L850 HydrophobicContact CZ-CD2 4.33Å; V838-L850 HydrophobicContact CG1-CB 4.07Å; V838-L850 HydrophobicContact CG1-CD2 4.44Å; V841-L850 HydrophobicContact CB-CD2 4.2Å; V841-L850 HydrophobicContact CG1-CD2 3.73Å; V841-L850 HydrophobicContact CG2-CD2 3.68Å; V848-L850 HydrophobicContact CG1-CD2 4.04Å; L850-L857 CarbonylContact O-C 3.57Å; L850-L857 VanDerWaalsContact O-CA 3.25Å; L850-L857 WeakPolarHBondContact O-CA 3.46Å; L850-D858 HydrophobicContact CB-CB 4.07Å; L850-D858 HydrophobicContact CD1-CB 4.22Å; L850-D858 HydrophobicContact CG-CB 4.26Å; L850-D858 PolarHBondContact N-O 2.85Å; L850-D858 PolarHBondContact O-N 3.42Å; L850-L860 HydrophobicContact CD1-CD1 3.77Å; L850-L860 HydrophobicContact CD2-CD1 4.12Å; L850-L860 HydrophobicContact CG-CD1 3.87Å
851A93.9Very high91.8Very high0 Ų022.6 Ų22.60%012%0.12CC..EExtended strand (participates in β ladder)trans-92.7136.5164.400000110.4V838 T839 E840 L857 I887 L890V838-A851 CarbonylContact C-O 3.55Å; V838-A851 VanDerWaalsContact CA-O 3.3Å; V838-A851 WeakPolarHBondContact CA-O 3.42Å; V838-A851 WeakPolarHBondContact CG1-O 3.34Å; T839-A851 PolarHBondContact N-O 2.9Å; T839-A851 PolarHBondContact OG1-O 2.86Å; E840-A851 HydrophobicContact CB-CB 4.09Å; E840-A851 PolarHBondContact O-N 3.21Å; A851-L857 HydrophobicContact CB-CD2 3.93Å; A851-I887 HydrophobicContact CB-CB 4.28Å; A851-I887 HydrophobicContact CB-CD1 3.96Å; A851-I887 HydrophobicContact CB-CG2 4.29Å; A851-L890 HydrophobicContact CB-CD2 4.23Å
852R93.1Very high91.6Very high4 Ų422.4 Ų22.42%0.01512%0.119CC..EExtended strand (participates in β ladder)trans-111.2152.2175.3-64.4-170.9-179.1-85.3-19.1110.9G814 S834 V836 G837 N854 G855 F856 D858G814-R852 PolarHBondContact O-NH1 2.74Å; S834-R852 WeakPolarHBondContact OG-CD 3.48Å; S834-R852 VanDerWaalsContact OG-CZ 3.3Å; S834-R852 PolarHBondContact OG-NE 3.31Å; S834-R852 PolarHBondContact OG-NH1 2.92Å; V836-R852 HydrophobicContact CG1-CB 4.2Å; V836-R852 PolarHBondContact O-NH1 3.28Å; G837-R852 WeakPolarHBondContact O-CA 3.41Å; R852-N854 WeakPolarHBondContact CB-OD1 3.33Å; R852-N854 PolarHBondContact O-N 2.67Å; R852-N854 VanDerWaalsContact O-N 3.08Å; R852-G855 PolarHBondContact O-N 3.42Å; R852-F856 HydrophobicContact CB-CB 4.21Å; R852-F856 HydrophobicContact CG-CB 4.45Å; R852-F856 PolarHBondContact N-O 3.3Å; R852-D858 IonicContact CZ-OD2 3.62Å; R852-D858 IonicContact NE-OD2 2.8Å; R852-D858 PolarHBondContact NE-OD2 3.3Å; R852-D858 IonicContact NH2-OD2 3.86Å; R852-D858 PolarHBondContact NH2-OD2 3.49Å
853S89.9Confident91.3Very high33 Ų3322.5 Ų22.523%0.23112%0.122CC..THydrogen-bonded Turntrans-63-17.2-179.957.10000114.6V836 G837 G855V836-S853 WeakPolarHBondContact CG1-OG 3.37Å; G837-S853 PolarHBondContact O-N 2.77Å; S853-G855 VanDerWaalsContact C-N 3.33Å
854N89.9Confident91Very high50 Ų5025.6 Ų25.627%0.26713%0.133SC..THydrogen-bonded Turntrans-899.2174.467.8-10.4000114.2V836 R852 F856V836-N854 HydrophobicContact CG1-CB 3.86Å; V836-N854 HydrophobicContact CG2-CB 4.47Å; R852-N854 WeakPolarHBondContact CB-OD1 3.33Å; R852-N854 PolarHBondContact O-N 2.67Å; R852-N854 VanDerWaalsContact O-N 3.08Å; N854-F856 HydrophobicContact CB-CD2 4.48Å; N854-F856 VanDerWaalsContact CG-CD2 3.45Å; N854-F856 VanDerWaalsContact ND2-CD2 3.34Å; N854-F856 WeakPolarHBondContact ND2-CD2 3.33Å; N854-F856 WeakPolarHBondContact OD1-CD2 3.31Å; N854-F856 PolarHBondContact OD1-N 3.43Å
855G91.3Very high90.4Very high0 Ų024.8 Ų24.80%013%0.132CC..SBendtrans88.25.8178.600000115.3R852 S853 A882 H883 M885R852-G855 PolarHBondContact O-N 3.42Å; S853-G855 VanDerWaalsContact C-N 3.33Å; G855-A882 CarbonylContact O-C 3.55Å; G855-A882 PolarHBondContact O-N 2.83Å; G855-H883 PolarHBondContact O-N 3.07Å; G855-M885 WeakPolarHBondContact CA-O 3.33Å
856F94.6Very high89.5Confident57 Ų5729.8 Ų29.825%0.2516%0.164CC..EExtended strand (participates in β ladder)trans-82143.4176.9-80.7-109.7000112.2R852 N854 I880 R881R852-F856 HydrophobicContact CB-CB 4.21Å; R852-F856 HydrophobicContact CG-CB 4.45Å; R852-F856 PolarHBondContact N-O 3.3Å; N854-F856 HydrophobicContact CB-CD2 4.48Å; N854-F856 VanDerWaalsContact CG-CD2 3.45Å; N854-F856 VanDerWaalsContact ND2-CD2 3.34Å; N854-F856 WeakPolarHBondContact ND2-CD2 3.33Å; N854-F856 WeakPolarHBondContact OD1-CD2 3.31Å; N854-F856 PolarHBondContact OD1-N 3.43Å; F856-I880 CarbonylContact C-O 3.58Å; F856-I880 VanDerWaalsContact CA-O 3.3Å; F856-I880 WeakPolarHBondContact CA-O 3.43Å; F856-R881 HydrophobicContact CD1-CB 4.21Å; F856-R881 HydrophobicContact CD2-CB 4.22Å; F856-R881 HydrophobicContact CD2-CG 4.04Å; F856-R881 HydrophobicContact CE1-CB 3.84Å; F856-R881 HydrophobicContact CE2-CB 3.87Å; F856-R881 HydrophobicContact CE2-CG 3.73Å; F856-R881 HydrophobicContact CG-CB 4.4Å; F856-R881 HydrophobicContact CZ-CB 3.68Å; F856-R881 HydrophobicContact CZ-CG 4.05Å
857L94.8Very high87.9Confident0 Ų028.6 Ų28.60%016%0.162CC..EExtended strand (participates in β ladder)trans-111.5120.3166-70179.1000109.3V849 L850 A851 F859 I880 A882 I887 L890V849-L857 HydrophobicContact CG1-CD2 4.14Å; L850-L857 CarbonylContact O-C 3.57Å; L850-L857 VanDerWaalsContact O-CA 3.25Å; L850-L857 WeakPolarHBondContact O-CA 3.46Å; A851-L857 HydrophobicContact CB-CD2 3.93Å; L857-F859 HydrophobicContact CB-CE2 3.9Å; L857-F859 HydrophobicContact CB-CZ 4.27Å; L857-F859 HydrophobicContact CD1-CZ 4.4Å; L857-I880 PolarHBondContact N-O 2.75Å; L857-I880 PolarHBondContact O-N 2.91Å; L857-A882 HydrophobicContact CB-CB 4.26Å; L857-A882 HydrophobicContact CD1-CB 3.57Å; L857-A882 HydrophobicContact CG-CB 3.66Å; L857-I887 HydrophobicContact CD2-CD1 3.66Å; L857-I887 HydrophobicContact CG-CD1 3.95Å; L857-L890 HydrophobicContact CD1-CD1 4.39Å; L857-L890 HydrophobicContact CD2-CD1 3.84Å; L857-L890 HydrophobicContact CD2-CD2 4.23Å
858D93.8Very high86.1Confident2 Ų231.5 Ų31.51%0.01120%0.198CC..EExtended strand (participates in β ladder)trans-100.9126.8172.3-57.8-35.2000110L833 V849 L850 R852 S879L833-D858 HydrophobicContact CD1-CB 3.97Å; L833-D858 VanDerWaalsContact CD1-OD2 3.29Å; L833-D858 WeakPolarHBondContact CD1-OD2 3.45Å; V849-D858 CarbonylContact C-O 3.39Å; V849-D858 VanDerWaalsContact CA-O 3.32Å; V849-D858 WeakPolarHBondContact CA-O 3.41Å; L850-D858 HydrophobicContact CB-CB 4.07Å; L850-D858 HydrophobicContact CD1-CB 4.22Å; L850-D858 HydrophobicContact CG-CB 4.26Å; L850-D858 PolarHBondContact N-O 2.85Å; L850-D858 PolarHBondContact O-N 3.42Å; R852-D858 IonicContact CZ-OD2 3.62Å; R852-D858 IonicContact NE-OD2 2.8Å; R852-D858 PolarHBondContact NE-OD2 3.3Å; R852-D858 IonicContact NH2-OD2 3.86Å; R852-D858 PolarHBondContact NH2-OD2 3.49Å; D858-S879 WeakPolarHBondContact OD1-CB 3.13Å; D858-S879 PolarHBondContact OD1-OG 2.79Å
859F94.4Very high84.1Confident1 Ų138.4 Ų38.40%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-102.8124175.4-62.8-91.7000109.4V849 L857 I877 R878 I880 V897 C909 L911 C914V849-F859 HydrophobicContact CG1-CD1 4.4Å; V849-F859 HydrophobicContact CG1-CE1 4.12Å; V849-F859 HydrophobicContact CG1-CZ 4.47Å; V849-F859 HydrophobicContact CG2-CD1 3.76Å; V849-F859 HydrophobicContact CG2-CE1 3.84Å; L857-F859 HydrophobicContact CB-CE2 3.9Å; L857-F859 HydrophobicContact CB-CZ 4.27Å; L857-F859 HydrophobicContact CD1-CZ 4.4Å; F859-I877 WeakPolarHBondContact O-CB 3.21Å; F859-I877 PolarHBondContact O-N 3.44Å; F859-R878 PolarHBondContact N-O 2.84Å; F859-R878 PolarHBondContact O-N 3Å; F859-I880 HydrophobicContact CD2-CD1 4Å; F859-I880 HydrophobicContact CD2-CG1 4.48Å; F859-I880 HydrophobicContact CE2-CD1 3.65Å; F859-I880 HydrophobicContact CE2-CG1 4.35Å; F859-V897 HydrophobicContact CE1-CG2 3.95Å; F859-C909 HydrophobicContact CE1-CB 4.43Å; F859-C909 HydrophobicContact CZ-CB 3.73Å; F859-L911 HydrophobicContact CE1-CD2 4.47Å; F859-C914 HydrophobicContact CB-CB 3.93Å; F859-C914 HydrophobicContact CD1-CB 4.29Å; F859-C914 HydrophobicContact CD2-CB 4.01Å; F859-C914 HydrophobicContact CG-CB 3.81Å
860L93Very high82.4Confident1 Ų146.1 Ų46.11%0.00527%0.267CS..EExtended strand (participates in β ladder)trans-120.6156.8-179.8-59.1165.4000109.3F816 R847 V848 L850 R875 V876F816-L860 HydrophobicContact CD1-CD1 3.85Å; F816-L860 HydrophobicContact CE1-CD1 3.67Å; F816-L860 HydrophobicContact CG-CD1 4.36Å; F816-L860 HydrophobicContact CZ-CD1 4.02Å; R847-L860 WeakPolarHBondContact CA-O 3.42Å; V848-L860 HydrophobicContact CB-CB 4.04Å; V848-L860 HydrophobicContact CB-CD1 4.24Å; V848-L860 HydrophobicContact CG1-CD1 4.2Å; V848-L860 PolarHBondContact N-O 3.47Å; V848-L860 PolarHBondContact O-N 3.22Å; L850-L860 HydrophobicContact CD1-CD1 3.77Å; L850-L860 HydrophobicContact CD2-CD1 4.12Å; L850-L860 HydrophobicContact CG-CD1 3.87Å; L860-R875 CarbonylContact C-O 3.59Å; L860-R875 VanDerWaalsContact CA-O 3.26Å; L860-R875 WeakPolarHBondContact CA-O 3.34Å; L860-V876 HydrophobicContact CD2-CB 3.82Å; L860-V876 HydrophobicContact CD2-CG1 4.08Å; L860-V876 HydrophobicContact CD2-CG2 3.35Å
861E90.6Very high81.1Confident34 Ų3449 Ų4916%0.15929%0.287CS..EExtended strand (participates in β ladder)trans-123.4131.5173.7-174.8173.9170.800111.2N846 R847 C874 R875 I877N846-E861 CarbonylContact O-C 3.57Å; N846-E861 VanDerWaalsContact O-CA 3.28Å; N846-E861 WeakPolarHBondContact O-CA 3.41Å; R847-E861 IonicContact CZ-OE2 2.88Å; R847-E861 VanDerWaalsContact NH1-CG 3.3Å; R847-E861 IonicContact NH1-OE1 3.18Å; R847-E861 IonicContact NH1-OE2 3.91Å; R847-E861 PolarHBondContact NH1-OE2 2.78Å; E861-C874 CarbonylContact O-C 3.37Å; E861-C874 WeakPolarHBondContact O-CA 3.42Å; E861-R875 HydrophobicContact CB-CG 3.8Å; E861-R875 PolarHBondContact N-O 3.47Å; E861-R875 PolarHBondContact O-N 3.3Å; E861-R875 IonicContact OE1-CZ 2.7Å; E861-R875 IonicContact OE1-NH2 3.76Å; E861-R875 PolarHBondContact OE1-NH2 3.09Å; E861-R875 IonicContact OE2-CZ 2.79Å; E861-R875 IonicContact OE2-NE 2.73Å; E861-R875 PolarHBondContact OE2-NE 3.05Å; E861-R875 IonicContact OE2-NH2 3.91Å; E861-R875 PolarHBondContact OE2-NH2 3.04Å; E861-I877 HydrophobicContact CB-CD1 3.84Å; E861-I877 HydrophobicContact CB-CG1 3.93Å
862L89.4Confident80.3Confident1 Ų149.6 Ų49.61%0.00529%0.291CS..EExtended strand (participates in β ladder)trans-81.8110.9168.7-59.9174.2000108.8L806 L818 N846 V848 Y864 V872 T873 C874L806-L862 HydrophobicContact CD1-CD1 3.94Å; L818-L862 HydrophobicContact CD2-CD2 3.5Å; L818-L862 VanDerWaalsContact CD2-CD2 3.5Å; N846-L862 PolarHBondContact O-N 3.42Å; V848-L862 HydrophobicContact CG2-CD1 3.88Å; V848-L862 HydrophobicContact CG2-CD2 3.96Å; V848-L862 HydrophobicContact CG2-CG 3.76Å; L862-Y864 HydrophobicContact CB-CE2 3.79Å; L862-V872 HydrophobicContact CB-CG1 4.3Å; L862-V872 HydrophobicContact CD2-CG1 4.19Å; L862-T873 CarbonylContact C-O 3.59Å; L862-T873 WeakPolarHBondContact CA-O 3.48Å; L862-C874 HydrophobicContact CD2-CB 4.22Å
863C85.4Confident79.8Confident34 Ų3453.1 Ų53.123%0.2331%0.313CS..EExtended strand (participates in β ladder)trans-94.8115.7174.6-63.10000109T873C863-T873 WeakPolarHBondContact CB-OG1 3.46Å; C863-T873 PolarHBondContact N-O 3.11Å; C863-T873 PolarHBondContact O-N 2.76Å; C863-T873 PolarHBondContact O-OG1 2.83Å
864Y83Confident79.7Confident92 Ų9252 Ų5236%0.36131%0.305SS..EExtended strand (participates in β ladder)trans-92.8123.4176.4-62.6-93.4000109L806 N846 L862 V872L806-Y864 HydrophobicContact CD1-CE1 4.42Å; N846-Y864 WeakPolarHBondContact OD1-CE2 3.36Å; L862-Y864 HydrophobicContact CB-CE2 3.79Å; Y864-V872 HydrophobicContact CD1-CB 4.46Å; Y864-V872 HydrophobicContact CD1-CG1 4.32Å; Y864-V872 HydrophobicContact CD1-CG2 3.62Å; Y864-V872 HydrophobicContact CE1-CB 4.45Å; Y864-V872 HydrophobicContact CE1-CG1 4.06Å; Y864-V872 HydrophobicContact CE1-CG2 3.57Å
865S76Confident79.6Confident49 Ų4956 Ų5634%0.34332%0.316SS..  trans-68.5136.4170.9-175.90000110.4S867 S871S865-S867 PolarHBondContact O-N 3.01Å; S865-S867 PolarHBondContact OG-N 2.84Å; S865-S867 PolarHBondContact OG-OG 3.48Å; S865-S871 WeakPolarHBondContact CB-O 3.16Å; S865-S871 WeakPolarHBondContact CB-OG 3.4Å; S865-S871 PolarHBondContact N-O 3Å
866S66.9Low79.5Confident128 Ų12858.7 Ų58.790%0.89533%0.332SS*.  trans-72.7-6.9176.4-174.50000113.5
867S55Low79.3Confident57 Ų5759.1 Ų59.140%0.39934%0.337SS..SBendtrans-66.4153.2177.951.40000112.2S865 L869 K870S865-S867 PolarHBondContact O-N 3.01Å; S865-S867 PolarHBondContact OG-N 2.84Å; S865-S867 PolarHBondContact OG-OG 3.48Å; S867-L869 CarbonylContact O-C 3.58Å; S867-L869 PolarHBondContact O-N 3.23Å; S867-L869 VanDerWaalsContact O-O 3.05Å; S867-L869 PolarHBondContact OG-O 2.86Å; S867-K870 PolarHBondContact O-N 2.93Å
868A52.6Low79.2Confident116 Ų11665.2 Ų65.296%0.95936%0.36SS*.SBendtrans-53-30.6179.300000113.8K870A868-K870 PolarHBondContact O-N 2.86Å
869L49.5Very low79.1Confident145 Ų14568 Ų6876%0.75938%0.379SS*.SBendtrans-81.1102.6160.5-71.2141.7000107.4S867 S871S867-L869 CarbonylContact O-C 3.58Å; S867-L869 PolarHBondContact O-N 3.23Å; S867-L869 VanDerWaalsContact O-O 3.05Å; S867-L869 PolarHBondContact OG-O 2.86Å; L869-S871 PolarHBondContact O-N 2.76Å
870K58.9Low79Confident165 Ų16569.2 Ų69.272%0.71739%0.386SS*.  trans-65.673.5172-70.6-177.9179.5176.60109.8S867 A868 V872S867-K870 PolarHBondContact O-N 2.93Å; A868-K870 PolarHBondContact O-N 2.86Å; K870-V872 PolarHBondContact O-N 2.77Å
871S67Low79Confident59 Ų5975.9 Ų75.941%0.41341%0.411SS..  trans-71.8116.8168.362.50000107.6S865 L869S865-S871 WeakPolarHBondContact CB-O 3.16Å; S865-S871 WeakPolarHBondContact CB-OG 3.4Å; S865-S871 PolarHBondContact N-O 3Å; L869-S871 PolarHBondContact O-N 2.76Å
872V77.5Confident79.1Confident13 Ų1374.4 Ų74.48%0.07940%0.404CS..EExtended strand (participates in β ladder)trans-84.6135169-171.90000106.6L806 I828 L862 Y864 K870L806-V872 HydrophobicContact CD1-CG1 4.15Å; L806-V872 HydrophobicContact CD1-CG2 4.47Å; L806-V872 HydrophobicContact CD2-CB 4.41Å; L806-V872 HydrophobicContact CD2-CG1 4.45Å; L806-V872 HydrophobicContact CD2-CG2 4.18Å; I828-V872 HydrophobicContact CD1-CB 4.17Å; I828-V872 HydrophobicContact CG2-CB 4.48Å; I828-V872 WeakPolarHBondContact CG2-O 3.38Å; L862-V872 HydrophobicContact CB-CG1 4.3Å; L862-V872 HydrophobicContact CD2-CG1 4.19Å; Y864-V872 HydrophobicContact CD1-CB 4.46Å; Y864-V872 HydrophobicContact CD1-CG1 4.32Å; Y864-V872 HydrophobicContact CD1-CG2 3.62Å; Y864-V872 HydrophobicContact CE1-CB 4.45Å; Y864-V872 HydrophobicContact CE1-CG1 4.06Å; Y864-V872 HydrophobicContact CE1-CG2 3.57Å; K870-V872 PolarHBondContact O-N 2.77Å
873T82.9Confident79.3Confident79 Ų7974.4 Ų74.449%0.48540%0.404SS..EExtended strand (participates in β ladder)trans-121.6160165.358.40000108L862 C863L862-T873 CarbonylContact C-O 3.59Å; L862-T873 WeakPolarHBondContact CA-O 3.48Å; C863-T873 WeakPolarHBondContact CB-OG1 3.46Å; C863-T873 PolarHBondContact N-O 3.11Å; C863-T873 PolarHBondContact O-N 2.76Å; C863-T873 PolarHBondContact O-OG1 2.83Å
874C86.3Confident79.6Confident10 Ų1075.3 Ų75.37%0.06841%0.414CS..EExtended strand (participates in β ladder)trans-120.6136.9176.1-169.60000108.5L818 F829 E861 L862L818-C874 HydrophobicContact CD2-CB 4.25Å; F829-C874 HydrophobicContact CB-CB 3.89Å; F829-C874 HydrophobicContact CD1-CB 3.59Å; F829-C874 HydrophobicContact CD2-CB 3.84Å; F829-C874 WeakPolarHBondContact CD2-O 3.28Å; F829-C874 HydrophobicContact CE1-CB 3.9Å; F829-C874 HydrophobicContact CE2-CB 4.16Å; F829-C874 WeakPolarHBondContact CE2-O 3.17Å; F829-C874 HydrophobicContact CG-CB 3.52Å; F829-C874 HydrophobicContact CZ-CB 4.16Å; E861-C874 CarbonylContact O-C 3.37Å; E861-C874 WeakPolarHBondContact O-CA 3.42Å; L862-C874 HydrophobicContact CD2-CB 4.22Å
875R88.8Confident80.1Confident134 Ų13476.4 Ų76.451%0.50642%0.424SS..EExtended strand (participates in β ladder)trans-123.2144.1174.867.6175.3-176.1-177.7-3.6110.2L860 E861L860-R875 CarbonylContact C-O 3.59Å; L860-R875 VanDerWaalsContact CA-O 3.26Å; L860-R875 WeakPolarHBondContact CA-O 3.34Å; E861-R875 HydrophobicContact CB-CG 3.8Å; E861-R875 PolarHBondContact N-O 3.47Å; E861-R875 PolarHBondContact O-N 3.3Å; E861-R875 IonicContact OE1-CZ 2.7Å; E861-R875 IonicContact OE1-NH2 3.76Å; E861-R875 PolarHBondContact OE1-NH2 3.09Å; E861-R875 IonicContact OE2-CZ 2.79Å; E861-R875 IonicContact OE2-NE 2.73Å; E861-R875 PolarHBondContact OE2-NE 3.05Å; E861-R875 IonicContact OE2-NH2 3.91Å; E861-R875 PolarHBondContact OE2-NH2 3.04Å
876V89.4Confident80.8Confident55 Ų5577.2 Ų77.233%0.33342%0.424SS..EExtended strand (participates in β ladder)trans-83.5124174.9-175.50000108.2F829 N831 L833 L860F829-V876 HydrophobicContact CZ-CG2 4.46Å; N831-V876 WeakPolarHBondContact ND2-CG2 3.18Å; L833-V876 HydrophobicContact CD1-CG1 4.2Å; L833-V876 HydrophobicContact CD1-CG2 4.23Å; L833-V876 HydrophobicContact CD2-CB 4.47Å; L833-V876 HydrophobicContact CD2-CG1 4.11Å; L833-V876 HydrophobicContact CD2-CG2 3.67Å; L833-V876 HydrophobicContact CG-CG2 4.48Å; L860-V876 HydrophobicContact CD2-CB 3.82Å; L860-V876 HydrophobicContact CD2-CG1 4.08Å; L860-V876 HydrophobicContact CD2-CG2 3.35Å
877I90.7Very high82Confident67 Ų6771.3 Ų71.334%0.34438%0.382SS..EExtended strand (participates in β ladder)trans-89.4-55.7177.3-47.9172000108.7R847 F859 E861R847-I877 VanDerWaalsContact CZ-CD1 3.41Å; R847-I877 VanDerWaalsContact NH1-CD1 3.26Å; F859-I877 WeakPolarHBondContact O-CB 3.21Å; F859-I877 PolarHBondContact O-N 3.44Å; E861-I877 HydrophobicContact CB-CD1 3.84Å; E861-I877 HydrophobicContact CB-CG1 3.93Å
878R92Very high83.7Confident128 Ų12870.9 Ų70.948%0.48338%0.376SS..EExtended strand (participates in β ladder)trans-161.6141.8-170.5-160.6169.5-179.3154.42.7112F859 I880 C914 T915F859-R878 PolarHBondContact N-O 2.84Å; F859-R878 PolarHBondContact O-N 3Å; R878-I880 HydrophobicContact CG-CD1 4.46Å; R878-I880 HydrophobicContact CG-CG1 3.96Å; R878-C914 HydrophobicContact CB-CB 4.22Å; R878-C914 VanDerWaalsContact CD-O 3.31Å; R878-C914 WeakPolarHBondContact CD-O 3.42Å; R878-T915 VanDerWaalsContact NH1-CG2 3.31Å
879S91.6Very high85.5Confident59 Ų5966 Ų6641%0.41333%0.334SS..EExtended strand (participates in β ladder)trans-111.2131.8168.8-67.30000109.1D858D858-S879 WeakPolarHBondContact OD1-CB 3.13Å; D858-S879 PolarHBondContact OD1-OG 2.79Å
880I93.4Very high87.6Confident28 Ų2859.2 Ų59.214%0.14430%0.299CS..EExtended strand (participates in β ladder)trans-133.3135.9-176-48.9170.3000108.9F856 L857 F859 R878 A882 C914 V916F856-I880 CarbonylContact C-O 3.58Å; F856-I880 VanDerWaalsContact CA-O 3.3Å; F856-I880 WeakPolarHBondContact CA-O 3.43Å; L857-I880 PolarHBondContact N-O 2.75Å; L857-I880 PolarHBondContact O-N 2.91Å; F859-I880 HydrophobicContact CD2-CD1 4Å; F859-I880 HydrophobicContact CD2-CG1 4.48Å; F859-I880 HydrophobicContact CE2-CD1 3.65Å; F859-I880 HydrophobicContact CE2-CG1 4.35Å; R878-I880 HydrophobicContact CG-CD1 4.46Å; R878-I880 HydrophobicContact CG-CG1 3.96Å; I880-A882 PolarHBondContact O-N 3.24Å; I880-C914 WeakPolarHBondContact CD1-O 3.48Å; I880-V916 HydrophobicContact CG2-CG2 4.1Å
881R92.8Very high89.3Confident141 Ų14154.7 Ų54.753%0.53228%0.28SS..EExtended strand (participates in β ladder)trans-75.294.6165.9-168.3170.1-172.3146.10.8109.1F856 H883 A884F856-R881 HydrophobicContact CD1-CB 4.21Å; F856-R881 HydrophobicContact CD2-CB 4.22Å; F856-R881 HydrophobicContact CD2-CG 4.04Å; F856-R881 HydrophobicContact CE1-CB 3.84Å; F856-R881 HydrophobicContact CE2-CB 3.87Å; F856-R881 HydrophobicContact CE2-CG 3.73Å; F856-R881 HydrophobicContact CG-CB 4.4Å; F856-R881 HydrophobicContact CZ-CB 3.68Å; F856-R881 HydrophobicContact CZ-CG 4.05Å; R881-H883 WeakPolarHBondContact CG-O 3.36Å; R881-H883 PolarHBondContact NE-O 3.04Å; R881-A884 PolarHBondContact NH2-O 2.89Å; R881-A884 VanDerWaalsContact NH2-O 3.08Å
882A91.8Very high90.5Very high2 Ų253.6 Ų53.62%0.01727%0.271CS..  trans-73.2-65.7174.700000108.7G855 L857 I880 K907G855-A882 CarbonylContact O-C 3.55Å; G855-A882 PolarHBondContact O-N 2.83Å; L857-A882 HydrophobicContact CB-CB 4.26Å; L857-A882 HydrophobicContact CD1-CB 3.57Å; L857-A882 HydrophobicContact CG-CB 3.66Å; I880-A882 PolarHBondContact O-N 3.24Å; A882-K907 HydrophobicContact CB-CD 4.17Å; A882-K907 WeakPolarHBondContact O-CD 3.16Å; A882-K907 WeakPolarHBondContact O-CE 3.48Å; A882-K907 PolarHBondContact O-NZ 2.91Å
883H93.8Very high91.1Very high1 Ų153.1 Ų53.11%0.00527%0.268CS..  trans-99.9155-175.6-68.5-88.4000112.6G855 R881 M885 I887 S899 D903 T905G855-H883 PolarHBondContact O-N 3.07Å; R881-H883 WeakPolarHBondContact CG-O 3.36Å; R881-H883 PolarHBondContact NE-O 3.04Å; H883-M885 VanDerWaalsContact C-N 3.35Å; H883-M885 WeakPolarHBondContact CB-O 3.48Å; H883-I887 HydrophobicContact CB-CG1 4.12Å; H883-S899 PolarHBondContact CD2-OG 2.78Å; H883-S899 WeakPolarHBondContact NE2-CB 3.36Å; H883-S899 PolarHBondContact NE2-O 2.76Å; H883-S899 PolarHBondContact NE2-OG 2.86Å; H883-D903 VanDerWaalsContact CA-OD2 3.26Å; H883-D903 WeakPolarHBondContact CA-OD2 3.42Å; H883-D903 WeakPolarHBondContact CB-OD2 3.36Å; H883-D903 IonicContact CE1-OD1 2.69Å; H883-D903 IonicContact CG-OD1 3.07Å; H883-D903 IonicContact CG-OD2 3.84Å; H883-D903 IonicContact ND1-OD1 2.66Å; H883-D903 PolarHBondContact ND1-OD1 3.12Å; H883-D903 IonicContact ND1-OD2 3.18Å; H883-D903 PolarHBondContact ND1-OD2 2.82Å; H883-T905 PolarHBondContact CE1-O 3.48Å; H883-T905 PolarHBondContact ND1-OG1 3.07Å
884A91.8Very high91.3Very high53 Ų5353.4 Ų53.444%0.43827%0.267SS..SBendtrans-75.2-31.2171.700000111.6R881 D903R881-A884 PolarHBondContact NH2-O 2.89Å; R881-A884 VanDerWaalsContact NH2-O 3.08Å; A884-D903 HydrophobicContact CB-CB 4.1Å; A884-D903 PolarHBondContact N-OD2 2.74Å
885M92.5Very high91.3Very high116 Ų11658 Ų5857%0.57129%0.291SS*.SBendtrans-120.8-169-178.6-62.6-63.7168.800110.8G855 H883 D902 D903G855-M885 WeakPolarHBondContact CA-O 3.33Å; H883-M885 VanDerWaalsContact C-N 3.35Å; H883-M885 WeakPolarHBondContact CB-O 3.48Å; M885-D902 HydrophobicContact CB-CB 3.66Å; M885-D903 HydrophobicContact CB-CB 4.27Å; M885-D903 HydrophobicContact CG-CB 4.31Å
886L90.8Very high91.5Very high65 Ų6552.2 Ų52.234%0.3427%0.269SS..  trans-61.6146.4-177-154.8123.7000112N888 G901 D902L886-N888 WeakPolarHBondContact CD2-OD1 3.29Å; L886-G901 CarbonylContact O-C 3.58Å; L886-G901 WeakPolarHBondContact O-CA 3.25Å; L886-D902 PolarHBondContact O-N 3.27Å
887I93.1Very high91.8Very high4 Ų449.6 Ų49.62%0.02125%0.253CS..EExtended strand (participates in β ladder)trans-95.7118.7174.9-56.8174.2000107.2A851 L857 H883A851-I887 HydrophobicContact CB-CB 4.28Å; A851-I887 HydrophobicContact CB-CD1 3.96Å; A851-I887 HydrophobicContact CB-CG2 4.29Å; L857-I887 HydrophobicContact CD2-CD1 3.66Å; L857-I887 HydrophobicContact CG-CD1 3.95Å; H883-I887 HydrophobicContact CB-CG1 4.12Å
888N91.1Very high92Very high49 Ų4946.4 Ų46.426%0.26224%0.237SC..EExtended strand (participates in β ladder)trans-93.9-31.1-175.2-65.1-26.2000112.7L886 G900 D902 V927L886-N888 WeakPolarHBondContact CD2-OD1 3.29Å; N888-G900 PolarHBondContact N-O 2.89Å; N888-D902 PolarHBondContact ND2-OD1 3.27Å; N888-D902 PolarHBondContact OD1-OD1 3.21Å; N888-V927 VanDerWaalsContact CB-O 3.23Å; N888-V927 WeakPolarHBondContact CB-O 3.28Å; N888-V927 PolarHBondContact ND2-O 2.87Å
889C90.6Very high92.2Very high13 Ų1340.3 Ų40.39%0.08821%0.214CC..EExtended strand (participates in β ladder)trans-144.4139.9-179.355.40000111S899 G900 L930C889-S899 CarbonylContact O-C 3.47Å; C889-S899 WeakPolarHBondContact O-CA 3.15Å; C889-G900 PolarHBondContact N-O 3.14Å; C889-G900 PolarHBondContact O-N 2.68Å; C889-L930 HydrophobicContact CB-CB 4.03Å
890L93.4Very high92.3Very high3 Ų337.5 Ų37.52%0.01619%0.194CC..EExtended strand (participates in β ladder)trans-135.9132.7176.8-165.771000109.1E840 L842 V849 A851 L857 V897 V898 S899E840-L890 HydrophobicContact CG-CB 4.38Å; E840-L890 WeakPolarHBondContact OE2-CB 3.36Å; E840-L890 PolarHBondContact OE2-N 3.15Å; L842-L890 HydrophobicContact CD1-CB 3.83Å; L842-L890 HydrophobicContact CD1-CD2 3.5Å; L842-L890 VanDerWaalsContact CD1-CD2 3.5Å; L842-L890 HydrophobicContact CD1-CG 3.43Å; L842-L890 VanDerWaalsContact CD1-CG 3.43Å; L842-L890 HydrophobicContact CG-CD2 3.91Å; L842-L890 HydrophobicContact CG-CG 4.35Å; V849-L890 HydrophobicContact CG1-CD2 4.01Å; A851-L890 HydrophobicContact CB-CD2 4.23Å; L857-L890 HydrophobicContact CD1-CD1 4.39Å; L857-L890 HydrophobicContact CD2-CD1 3.84Å; L857-L890 HydrophobicContact CD2-CD2 4.23Å; L890-V897 HydrophobicContact CD1-CG1 3.48Å; L890-V897 VanDerWaalsContact CD1-CG1 3.48Å; L890-V897 HydrophobicContact CG-CG1 3.99Å; L890-V898 WeakPolarHBondContact CA-O 3.41Å; L890-S899 VanDerWaalsContact CD1-CB 3.46Å
891Q93.5Very high92.3Very high70 Ų7036.2 Ų36.233%0.32719%0.187SC..EExtended strand (participates in β ladder)trans-140.9160168.8-73.4-165.8-1200111V898 L930 T932Q891-V898 PolarHBondContact N-O 3.39Å; Q891-V898 PolarHBondContact O-N 2.97Å; Q891-L930 HydrophobicContact CB-CD2 3.58Å; Q891-L930 HydrophobicContact CB-CG 4.31Å; Q891-L930 HydrophobicContact CG-CD2 3.94Å; Q891-L930 HydrophobicContact CG-CG 4.4Å; Q891-L930 PolarHBondContact NE2-O 3.13Å; Q891-T932 HydrophobicContact CB-CG2 3.86Å; Q891-T932 PolarHBondContact OE1-OG1 3.21Å
892V91.7Very high92.3Very high36 Ų3632.7 Ų32.722%0.21818%0.179CC..EExtended strand (participates in β ladder)trans-112.3128.8176-177.60000109.7L842 N844 F896 V897 L911L842-V892 HydrophobicContact CB-CG2 4.36Å; L842-V892 HydrophobicContact CD1-CG2 3.95Å; N844-V892 HydrophobicContact CB-CB 4.34Å; N844-V892 HydrophobicContact CB-CG1 3.78Å; N844-V892 HydrophobicContact CB-CG2 4.32Å; N844-V892 WeakPolarHBondContact ND2-CG1 3.35Å; V892-F896 CarbonylContact C-O 3.55Å; V892-F896 WeakPolarHBondContact CA-O 3.42Å; V892-V897 HydrophobicContact CG2-CG2 4.25Å; V892-L911 HydrophobicContact CG1-CD1 3.57Å
893C90.2Very high92.4Very high3 Ų334.2 Ų34.22%0.0219%0.187CC..EExtended strand (participates in β ladder)trans-123.1102.9175.2-168.70000108.7D895 F896 T932 P935 L952C893-D895 PolarHBondContact O-N 2.83Å; C893-F896 PolarHBondContact N-O 3.26Å; C893-F896 PolarHBondContact O-N 3.09Å; C893-T932 HydrophobicContact CB-CG2 3.84Å; C893-P935 PolarHBondContact SG-O 2.99Å; C893-L952 HydrophobicContact CB-CD1 3.8Å
894N87.4Confident92.4Very high85 Ų8541 Ų4146%0.45521%0.213SC..THydrogen-bonded Turntrans50.2-110.5-173.3-70.2-13.1000112.5N844 L911 P935N844-N894 PolarHBondContact ND2-O 3.09Å; N894-L911 WeakPolarHBondContact O-CD1 3.49Å; N894-P935 VanDerWaalsContact ND2-CA 3.3Å; N894-P935 WeakPolarHBondContact ND2-CA 3.38Å; N894-P935 WeakPolarHBondContact ND2-CB 3.15Å
895D87.7Confident92.6Very high107 Ų10739.1 Ų39.157%0.57220%0.196SC*.THydrogen-bonded Turntrans-931.2-179.3-67.1-26.5000112.7C893 L911C893-D895 PolarHBondContact O-N 2.83Å; D895-L911 VanDerWaalsContact O-CB 3.28Å; D895-L911 WeakPolarHBondContact O-CB 3.34Å; D895-L911 PolarHBondContact O-N 3.01Å
896F93Very high92.7Very high12 Ų1233.6 Ų33.65%0.05317%0.168CC..EExtended strand (participates in β ladder)trans-108.3136.5179-60.3-63.1000112V892 C893 V908 C909 D910 L952 N953V892-F896 CarbonylContact C-O 3.55Å; V892-F896 WeakPolarHBondContact CA-O 3.42Å; C893-F896 PolarHBondContact N-O 3.26Å; C893-F896 PolarHBondContact O-N 3.09Å; F896-V908 HydrophobicContact CB-CG1 3.93Å; F896-V908 HydrophobicContact CD1-CG1 3.72Å; F896-V908 HydrophobicContact CG-CG1 3.95Å; F896-C909 CarbonylContact C-O 3.58Å; F896-C909 WeakPolarHBondContact CA-O 3.41Å; F896-D910 HydrophobicContact CD1-CB 4.49Å; F896-D910 HydrophobicContact CE1-CB 4.49Å; F896-L952 HydrophobicContact CB-CD1 4.29Å; F896-L952 HydrophobicContact CD2-CB 3.9Å; F896-L952 HydrophobicContact CD2-CD1 4.29Å; F896-L952 HydrophobicContact CE2-CB 4.26Å; F896-L952 HydrophobicContact CG-CB 4.33Å; F896-N953 WeakPolarHBondContact CE2-OD1 3.35Å; F896-N953 WeakPolarHBondContact CZ-OD1 3.16Å
897V94.2Very high93Very high0 Ų032 Ų320%016%0.159CC..EExtended strand (participates in β ladder)trans-99126.8161.7-174.30000108.1V849 F859 L890 V892 V908 C909 L911V849-V897 HydrophobicContact CG1-CG1 4.33Å; V849-V897 HydrophobicContact CG2-CG2 3.86Å; F859-V897 HydrophobicContact CE1-CG2 3.95Å; L890-V897 HydrophobicContact CD1-CG1 3.48Å; L890-V897 VanDerWaalsContact CD1-CG1 3.48Å; L890-V897 HydrophobicContact CG-CG1 3.99Å; V892-V897 HydrophobicContact CG2-CG2 4.25Å; V897-V908 CarbonylContact O-C 3.5Å; V897-V908 WeakPolarHBondContact O-CA 3.48Å; V897-C909 HydrophobicContact CB-CB 4.29Å; V897-C909 PolarHBondContact N-O 3.13Å; V897-C909 PolarHBondContact O-N 2.88Å; V897-L911 HydrophobicContact CG2-CD1 4.19Å; V897-L911 HydrophobicContact CG2-CD2 3.41Å; V897-L911 VanDerWaalsContact CG2-CD2 3.41Å; V897-L911 HydrophobicContact CG2-CG 3.56Å
898V95.6Very high93.1Very high0 Ų031.9 Ų31.90%016%0.158CC..EExtended strand (participates in β ladder)trans-110.7125.1175.6-171.20000108.3L890 Q891 K907 V908 L930 T932 A938 L952L890-V898 WeakPolarHBondContact CA-O 3.41Å; Q891-V898 PolarHBondContact N-O 3.39Å; Q891-V898 PolarHBondContact O-N 2.97Å; V898-K907 CarbonylContact C-O 3.57Å; V898-K907 VanDerWaalsContact CA-O 3.3Å; V898-K907 WeakPolarHBondContact CA-O 3.29Å; V898-V908 HydrophobicContact CG2-CG2 4.47Å; V898-L930 HydrophobicContact CB-CD1 4.13Å; V898-L930 HydrophobicContact CB-CD2 3.91Å; V898-L930 HydrophobicContact CG1-CD1 3.5Å; V898-L930 VanDerWaalsContact CG1-CD1 3.5Å; V898-L930 HydrophobicContact CG1-CD2 4.04Å; V898-L930 HydrophobicContact CG1-CG 4.42Å; V898-L930 WeakPolarHBondContact O-CD2 3.35Å; V898-T932 HydrophobicContact CG2-CG2 4.4Å; V898-A938 HydrophobicContact CG1-CB 4.43Å; V898-A938 HydrophobicContact CG2-CB 4.32Å; V898-L952 HydrophobicContact CG2-CD1 3.95Å; V898-L952 HydrophobicContact CG2-CD2 3.5Å; V898-L952 HydrophobicContact CG2-CG 4.39Å
899S95.3Very high93.2Very high0 Ų029.6 Ų29.60%015%0.146CC..EExtended strand (participates in β ladder)trans-119.5140.2177.858.10000110.4H883 C889 L890 A906 K907H883-S899 PolarHBondContact CD2-OG 2.78Å; H883-S899 WeakPolarHBondContact NE2-CB 3.36Å; H883-S899 PolarHBondContact NE2-O 2.76Å; H883-S899 PolarHBondContact NE2-OG 2.86Å; C889-S899 CarbonylContact O-C 3.47Å; C889-S899 WeakPolarHBondContact O-CA 3.15Å; L890-S899 VanDerWaalsContact CD1-CB 3.46Å; S899-A906 CarbonylContact O-C 3.54Å; S899-A906 WeakPolarHBondContact O-CA 3.43Å; S899-A906 WeakPolarHBondContact O-CB 3.32Å; S899-K907 PolarHBondContact N-O 3.03Å; S899-K907 PolarHBondContact O-N 3.09Å
900G94.5Very high93.3Very high0 Ų030 Ų300%015%0.147CC..EExtended strand (participates in β ladder)trans-117.8133.9172.200000110.5N888 C889N888-G900 PolarHBondContact N-O 2.89Å; C889-G900 PolarHBondContact N-O 3.14Å; C889-G900 PolarHBondContact O-N 2.68Å
901G93Very high93.1Very high0 Ų030.3 Ų30.30%015%0.149CC..EExtended strand (participates in β ladder)trans-125.4168.1-175.100000115.2L886 D903 R904 T905 V927L886-G901 CarbonylContact O-C 3.58Å; L886-G901 WeakPolarHBondContact O-CA 3.25Å; G901-D903 PolarHBondContact O-N 3.24Å; G901-R904 PolarHBondContact O-N 3.12Å; G901-T905 PolarHBondContact N-O 3.13Å; G901-T905 VanDerWaalsContact N-O 3.09Å; G901-V927 PolarHBondContact O-N 3.17Å; G901-V927 VanDerWaalsContact O-N 3.13Å
902D93Very high92.9Very high68 Ų6830.6 Ų30.636%0.36416%0.159SC..THydrogen-bonded Turntrans-65.1-17.6170.4-86.2-8.7000113M885 L886 N888 R904 P926M885-D902 HydrophobicContact CB-CB 3.66Å; L886-D902 PolarHBondContact O-N 3.27Å; N888-D902 PolarHBondContact ND2-OD1 3.27Å; N888-D902 PolarHBondContact OD1-OD1 3.21Å; D902-R904 PolarHBondContact O-N 2.78Å; D902-R904 VanDerWaalsContact O-N 3.1Å; D902-P926 WeakPolarHBondContact OD1-CB 3.28Å
903D93.8Very high92.8Very high33 Ų3331.4 Ų31.418%0.17617%0.166CC..THydrogen-bonded Turntrans-72.96.7173675.8000113.5H883 A884 M885 G901 T905H883-D903 VanDerWaalsContact CA-OD2 3.26Å; H883-D903 WeakPolarHBondContact CA-OD2 3.42Å; H883-D903 WeakPolarHBondContact CB-OD2 3.36Å; H883-D903 IonicContact CE1-OD1 2.69Å; H883-D903 IonicContact CG-OD1 3.07Å; H883-D903 IonicContact CG-OD2 3.84Å; H883-D903 IonicContact ND1-OD1 2.66Å; H883-D903 PolarHBondContact ND1-OD1 3.12Å; H883-D903 IonicContact ND1-OD2 3.18Å; H883-D903 PolarHBondContact ND1-OD2 2.82Å; A884-D903 HydrophobicContact CB-CB 4.1Å; A884-D903 PolarHBondContact N-OD2 2.74Å; M885-D903 HydrophobicContact CB-CB 4.27Å; M885-D903 HydrophobicContact CG-CB 4.31Å; G901-D903 PolarHBondContact O-N 3.24Å; D903-T905 VanDerWaalsContact CG-OG1 3.26Å; D903-T905 PolarHBondContact O-N 3.43Å; D903-T905 PolarHBondContact OD1-N 2.94Å; D903-T905 VanDerWaalsContact OD1-N 3.15Å; D903-T905 PolarHBondContact OD1-OG1 2.92Å; D903-T905 PolarHBondContact OD2-OG1 2.87Å
904R95Very high92.8Very high144 Ų14431.2 Ų31.254%0.54317%0.165SC..SBendtrans67.615.3177.5-49.4175.6-94.4-169-8.1113.3G901 D902 N924G901-R904 PolarHBondContact O-N 3.12Å; D902-R904 PolarHBondContact O-N 2.78Å; D902-R904 VanDerWaalsContact O-N 3.1Å; R904-N924 VanDerWaalsContact CD-O 3.27Å; R904-N924 WeakPolarHBondContact CD-O 3.21Å
905T94.8Very high93Very high13 Ų1329.4 Ų29.48%0.0816%0.157CC..EExtended strand (participates in β ladder)trans-112.2151.8176.470.20000110.2H883 G901 D903 Y921H883-T905 PolarHBondContact CE1-O 3.48Å; H883-T905 PolarHBondContact ND1-OG1 3.07Å; G901-T905 PolarHBondContact N-O 3.13Å; G901-T905 VanDerWaalsContact N-O 3.09Å; D903-T905 VanDerWaalsContact CG-OG1 3.26Å; D903-T905 PolarHBondContact O-N 3.43Å; D903-T905 PolarHBondContact OD1-N 2.94Å; D903-T905 VanDerWaalsContact OD1-N 3.15Å; D903-T905 PolarHBondContact OD1-OG1 2.92Å; D903-T905 PolarHBondContact OD2-OG1 2.87Å; T905-Y921 HydrophobicContact CG2-CD1 3.84Å; T905-Y921 HydrophobicContact CG2-CE1 3.67Å
906A95.8Very high93.2Very high0 Ų026.4 Ų26.40%014%0.142CC..EExtended strand (participates in β ladder)trans-107.4144.9159.800000108.8S899 L920 T940S899-A906 CarbonylContact O-C 3.54Å; S899-A906 WeakPolarHBondContact O-CA 3.43Å; S899-A906 WeakPolarHBondContact O-CB 3.32Å; A906-L920 HydrophobicContact CB-CB 4.12Å; A906-L920 HydrophobicContact CB-CD1 4.01Å; A906-L920 PolarHBondContact N-O 2.89Å; A906-L920 WeakPolarHBondContact O-CA 3.46Å; A906-L920 VanDerWaalsContact O-CB 3.29Å; A906-L920 WeakPolarHBondContact O-CB 3.31Å; A906-L920 PolarHBondContact O-N 2.77Å; A906-T940 HydrophobicContact CB-CG2 4.03Å
907K95.6Very high93.3Very high33 Ų3331.6 Ų31.614%0.14316%0.162CC..EExtended strand (participates in β ladder)trans-122.1138.4178.9-69.5-169.2172.6-153.50110.6A882 V898 S899 V916 H918A882-K907 HydrophobicContact CB-CD 4.17Å; A882-K907 WeakPolarHBondContact O-CD 3.16Å; A882-K907 WeakPolarHBondContact O-CE 3.48Å; A882-K907 PolarHBondContact O-NZ 2.91Å; V898-K907 CarbonylContact C-O 3.57Å; V898-K907 VanDerWaalsContact CA-O 3.3Å; V898-K907 WeakPolarHBondContact CA-O 3.29Å; S899-K907 PolarHBondContact N-O 3.03Å; S899-K907 PolarHBondContact O-N 3.09Å; K907-V916 HydrophobicContact CB-CG1 4.38Å; K907-V916 HydrophobicContact CD-CG1 4.16Å; K907-V916 HydrophobicContact CD-CG2 4.48Å; K907-V916 HydrophobicContact CG-CG1 4.48Å; K907-H918 WeakPolarHBondContact CA-O 3.38Å
908V95.5Very high93.3Very high0 Ų033.9 Ų33.90%017%0.172CC..EExtended strand (participates in β ladder)trans-107.4113.7174.5-1730000107.2F896 V897 V898 R917 H918 L920 L952F896-V908 HydrophobicContact CB-CG1 3.93Å; F896-V908 HydrophobicContact CD1-CG1 3.72Å; F896-V908 HydrophobicContact CG-CG1 3.95Å; V897-V908 CarbonylContact O-C 3.5Å; V897-V908 WeakPolarHBondContact O-CA 3.48Å; V898-V908 HydrophobicContact CG2-CG2 4.47Å; V908-R917 PolarHBondContact O-N 2.79Å; V908-H918 HydrophobicContact CB-CB 4.22Å; V908-H918 HydrophobicContact CG2-CB 4.42Å; V908-H918 PolarHBondContact N-O 2.85Å; V908-H918 PolarHBondContact O-N 3.31Å; V908-H918 VanDerWaalsContact O-N 3.17Å; V908-L920 HydrophobicContact CG2-CD1 3.59Å; V908-L920 HydrophobicContact CG2-CD2 4.21Å; V908-L920 HydrophobicContact CG2-CG 3.98Å; V908-L952 HydrophobicContact CG1-CB 4.34Å; V908-L952 HydrophobicContact CG1-CD2 4.09Å; V908-L952 HydrophobicContact CG2-CD2 3.58Å
909C94.3Very high93.2Very high1 Ų135.9 Ų35.91%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-106.1137.2175.4-55.50000109.3F859 F896 V897 T915F859-C909 HydrophobicContact CE1-CB 4.43Å; F859-C909 HydrophobicContact CZ-CB 3.73Å; F896-C909 CarbonylContact C-O 3.58Å; F896-C909 WeakPolarHBondContact CA-O 3.41Å; V897-C909 HydrophobicContact CB-CB 4.29Å; V897-C909 PolarHBondContact N-O 3.13Å; V897-C909 PolarHBondContact O-N 2.88Å; C909-T915 CarbonylContact C-O 3.57Å; C909-T915 VanDerWaalsContact CA-O 3.25Å; C909-T915 WeakPolarHBondContact CA-O 3.21Å
910D91.4Very high93.2Very high22 Ų2235.9 Ų35.912%0.11819%0.186CC..EExtended strand (participates in β ladder)trans-84.4126.9173.6165.822000109.6F896 S912 S913 C914 T915F896-D910 HydrophobicContact CD1-CB 4.49Å; F896-D910 HydrophobicContact CE1-CB 4.49Å; D910-S912 VanDerWaalsContact C-N 3.26Å; D910-S912 PolarHBondContact O-N 2.75Å; D910-S912 WeakPolarHBondContact OD1-CB 3.41Å; D910-S912 PolarHBondContact OD1-N 3.29Å; D910-S912 PolarHBondContact OD1-OG 3.5Å; D910-S912 PolarHBondContact OD2-OG 3.24Å; D910-S913 WeakPolarHBondContact CB-OG 3.44Å; D910-S913 VanDerWaalsContact CG-OG 3.28Å; D910-S913 VanDerWaalsContact OD2-CB 3.31Å; D910-S913 WeakPolarHBondContact OD2-CB 3.29Å; D910-S913 PolarHBondContact OD2-N 3.15Å; D910-S913 PolarHBondContact OD2-OG 3.05Å; D910-C914 WeakPolarHBondContact O-CA 3.28Å; D910-C914 PolarHBondContact O-N 2.97Å; D910-T915 PolarHBondContact N-O 3.41Å; D910-T915 PolarHBondContact O-N 3.43Å
911L89.3Confident93.2Very high9 Ų943.9 Ų43.95%0.04722%0.217CC..THydrogen-bonded Turntrans-67.4-26.1-179.2-82.3164.9000112.9R847 V849 F859 V892 N894 D895 V897 C914R847-L911 HydrophobicContact CB-CD2 3.95Å; R847-L911 HydrophobicContact CG-CD2 4.24Å; R847-L911 PolarHBondContact NE-O 3.13Å; V849-L911 HydrophobicContact CG2-CD2 3.9Å; F859-L911 HydrophobicContact CE1-CD2 4.47Å; V892-L911 HydrophobicContact CG1-CD1 3.57Å; N894-L911 WeakPolarHBondContact O-CD1 3.49Å; D895-L911 VanDerWaalsContact O-CB 3.28Å; D895-L911 WeakPolarHBondContact O-CB 3.34Å; D895-L911 PolarHBondContact O-N 3.01Å; V897-L911 HydrophobicContact CG2-CD1 4.19Å; V897-L911 HydrophobicContact CG2-CD2 3.41Å; V897-L911 VanDerWaalsContact CG2-CD2 3.41Å; V897-L911 HydrophobicContact CG2-CG 3.56Å; L911-C914 PolarHBondContact O-SG 3.23Å; L911-C914 VanDerWaalsContact O-SG 3.38Å
912S89.5Confident92.8Very high77 Ų7744.9 Ų44.954%0.53823%0.227SC..THydrogen-bonded Turntrans-79.7-53.5-177.469.80000111D910 C914D910-S912 VanDerWaalsContact C-N 3.26Å; D910-S912 PolarHBondContact O-N 2.75Å; D910-S912 WeakPolarHBondContact OD1-CB 3.41Å; D910-S912 PolarHBondContact OD1-N 3.29Å; D910-S912 PolarHBondContact OD1-OG 3.5Å; D910-S912 PolarHBondContact OD2-OG 3.24Å; S912-C914 VanDerWaalsContact C-N 3.32Å
913S89.8Confident92.7Very high52 Ų5242.1 Ų42.136%0.36421%0.212SC..THydrogen-bonded Turntrans-77.7-17.2176.364.10000113.5D910 T915D910-S913 WeakPolarHBondContact CB-OG 3.44Å; D910-S913 VanDerWaalsContact CG-OG 3.28Å; D910-S913 VanDerWaalsContact OD2-CB 3.31Å; D910-S913 WeakPolarHBondContact OD2-CB 3.29Å; D910-S913 PolarHBondContact OD2-N 3.15Å; D910-S913 PolarHBondContact OD2-OG 3.05Å; S913-T915 VanDerWaalsContact C-N 3.26Å; S913-T915 PolarHBondContact O-N 2.92Å; S913-T915 PolarHBondContact OG-OG1 2.8Å
914C91.2Very high92.5Very high0 Ų046.5 Ų46.50%024%0.236CC..THydrogen-bonded Turntrans48.750.7-170.3-55.30000110F859 R878 I880 D910 L911 S912F859-C914 HydrophobicContact CB-CB 3.93Å; F859-C914 HydrophobicContact CD1-CB 4.29Å; F859-C914 HydrophobicContact CD2-CB 4.01Å; F859-C914 HydrophobicContact CG-CB 3.81Å; R878-C914 HydrophobicContact CB-CB 4.22Å; R878-C914 VanDerWaalsContact CD-O 3.31Å; R878-C914 WeakPolarHBondContact CD-O 3.42Å; I880-C914 WeakPolarHBondContact CD1-O 3.48Å; D910-C914 WeakPolarHBondContact O-CA 3.28Å; D910-C914 PolarHBondContact O-N 2.97Å; L911-C914 PolarHBondContact O-SG 3.23Å; L911-C914 VanDerWaalsContact O-SG 3.38Å; S912-C914 VanDerWaalsContact C-N 3.32Å
915T91Very high92.3Very high46 Ų4640 Ų4028%0.28221%0.213SC..EExtended strand (participates in β ladder)trans-133.4152.8176.357.40000111.1R878 C909 D910 S913 R917R878-T915 VanDerWaalsContact NH1-CG2 3.31Å; C909-T915 CarbonylContact C-O 3.57Å; C909-T915 VanDerWaalsContact CA-O 3.25Å; C909-T915 WeakPolarHBondContact CA-O 3.21Å; D910-T915 PolarHBondContact N-O 3.41Å; D910-T915 PolarHBondContact O-N 3.43Å; S913-T915 VanDerWaalsContact C-N 3.26Å; S913-T915 PolarHBondContact O-N 2.92Å; S913-T915 PolarHBondContact OG-OG1 2.8Å; T915-R917 PolarHBondContact O-N 2.82Å
916V92.5Very high92.2Very high45 Ų4541.2 Ų41.227%0.27322%0.221SC..EExtended strand (participates in β ladder)trans-69.1114.1172-179.20000107.3I880 K907I880-V916 HydrophobicContact CG2-CG2 4.1Å; K907-V916 HydrophobicContact CB-CG1 4.38Å; K907-V916 HydrophobicContact CD-CG1 4.16Å; K907-V916 HydrophobicContact CD-CG2 4.48Å; K907-V916 HydrophobicContact CG-CG1 4.48Å
917R93.4Very high92.1Very high121 Ų12141.2 Ų41.246%0.45722%0.221SC..EExtended strand (participates in β ladder)trans-82.9-48.2177.7-172.8179175.8141.6-8.3110.6V908 T915 N953V908-R917 PolarHBondContact O-N 2.79Å; T915-R917 PolarHBondContact O-N 2.82Å; R917-N953 PolarHBondContact NH2-O 3.09Å
918H94.4Very high91.9Very high48 Ų4840.5 Ų40.522%0.22222%0.218CC..EExtended strand (participates in β ladder)trans-136.1141.4-177.2-60.8-59.5000111.4K907 V908 L920 L952 N953 G955K907-H918 WeakPolarHBondContact CA-O 3.38Å; V908-H918 HydrophobicContact CB-CB 4.22Å; V908-H918 HydrophobicContact CG2-CB 4.42Å; V908-H918 PolarHBondContact N-O 2.85Å; V908-H918 PolarHBondContact O-N 3.31Å; V908-H918 VanDerWaalsContact O-N 3.17Å; H918-L920 HydrophobicContact CB-CD2 4.16Å; H918-L952 PolarHBondContact CD2-O 2.79Å; H918-L952 VanDerWaalsContact CD2-O 3.31Å; H918-N953 PolarHBondContact NE2-O 2.7Å; H918-G955 VanDerWaalsContact CD2-CA 3.47Å; H918-G955 WeakPolarHBondContact CD2-CA 3.21Å; H918-G955 PolarHBondContact CD2-N 2.99Å; H918-G955 PolarHBondContact NE2-N 3.24Å
919S94.2Very high91.6Very high41 Ų4140.9 Ų40.929%0.28722%0.221SC..EExtended strand (participates in β ladder)trans-106.4118.2163.7-58.60000107.7Y921S919-Y921 VanDerWaalsContact O-CD2 3.25Å; S919-Y921 WeakPolarHBondContact O-CD2 3.39Å; S919-Y921 WeakPolarHBondContact O-CE2 3.39Å
920L95.4Very high91.6Very high1 Ų141.2 Ų41.21%0.00522%0.223CC..EExtended strand (participates in β ladder)trans-93.3114.4-174.3-52.4175.5000109.1A906 V908 H918 W950 G955A906-L920 HydrophobicContact CB-CB 4.12Å; A906-L920 HydrophobicContact CB-CD1 4.01Å; A906-L920 PolarHBondContact N-O 2.89Å; A906-L920 WeakPolarHBondContact O-CA 3.46Å; A906-L920 VanDerWaalsContact O-CB 3.29Å; A906-L920 WeakPolarHBondContact O-CB 3.31Å; A906-L920 PolarHBondContact O-N 2.77Å; V908-L920 HydrophobicContact CG2-CD1 3.59Å; V908-L920 HydrophobicContact CG2-CD2 4.21Å; V908-L920 HydrophobicContact CG2-CG 3.98Å; H918-L920 HydrophobicContact CB-CD2 4.16Å; L920-W950 HydrophobicContact CB-CD2 3.99Å; L920-W950 HydrophobicContact CB-CE3 3.89Å; L920-W950 HydrophobicContact CB-CH2 4Å; L920-W950 HydrophobicContact CB-CZ2 4.07Å; L920-W950 HydrophobicContact CB-CZ3 3.89Å; L920-W950 HydrophobicContact CD1-CB 3.96Å; L920-W950 HydrophobicContact CD1-CD2 3.75Å; L920-W950 HydrophobicContact CD1-CE3 4.19Å; L920-W950 HydrophobicContact CD1-CG 3.63Å; L920-W950 HydrophobicContact CD2-CD2 4.19Å; L920-W950 HydrophobicContact CD2-CE3 3.75Å; L920-W950 HydrophobicContact CD2-CZ3 4.28Å; L920-W950 HydrophobicContact CG-CD2 4.19Å; L920-W950 HydrophobicContact CG-CE3 4.15Å; L920-G955 WeakPolarHBondContact CD2-O 3.44Å
921Y93.2Very high91.6Very high168 Ų16840.4 Ų40.466%0.65922%0.219SC*.EExtended strand (participates in β ladder)trans-108.7121.9-179.9-60.6-85.1000109.5T905 S919 W950T905-Y921 HydrophobicContact CG2-CD1 3.84Å; T905-Y921 HydrophobicContact CG2-CE1 3.67Å; S919-Y921 VanDerWaalsContact O-CD2 3.25Å; S919-Y921 WeakPolarHBondContact O-CD2 3.39Å; S919-Y921 WeakPolarHBondContact O-CE2 3.39Å; Y921-W950 WeakPolarHBondContact O-CH2 3.28Å
922G85.8Confident91.8Very high20 Ų2041.2 Ų41.221%0.20622%0.224CC..  trans-179.8-22179.400000113.7M960G922-M960 WeakPolarHBondContact O-CE 3.43Å
923H91.1Very high91.8Very high11 Ų1138.9 Ų38.95%0.05121%0.206CC..  trans-84.6138.4177.6-66.1-66.1000112.3V927 T940 C942 V946 C948H923-V927 HydrophobicContact CB-CG2 4.17Å; H923-V927 VanDerWaalsContact CD2-CG2 3.46Å; H923-V927 WeakPolarHBondContact CD2-CG2 3.33Å; H923-T940 PolarHBondContact CE1-O 3.34Å; H923-T940 PolarHBondContact CE1-OG1 2.9Å; H923-T940 VanDerWaalsContact NE2-CB 3.28Å; H923-T940 WeakPolarHBondContact NE2-CB 3.32Å; H923-T940 PolarHBondContact NE2-OG1 3.38Å; H923-C942 HydrophobicContact CB-CB 3.97Å; H923-V946 PolarHBondContact CE1-O 2.99Å; H923-C948 PolarHBondContact CE1-SG 3.31Å
924N89.6Confident91.7Very high125 Ų12540.2 Ų40.267%0.66821%0.213SC*.SBendtrans-91.8-10.6177.3-65.3-18.4000113R904R904-N924 VanDerWaalsContact CD-O 3.27Å; R904-N924 WeakPolarHBondContact CD-O 3.21Å
925A91.2Very high91.4Very high7 Ų743.6 Ų43.66%0.05824%0.235CC..SBendtrans-137.7168.5-17700000110.5V927 C942 F943 E944A925-V927 PolarHBondContact O-N 2.76Å; A925-C942 HydrophobicContact CB-CB 4.17Å; A925-F943 HydrophobicContact CB-CB 4.2Å; A925-E944 HydrophobicContact CB-CB 4Å; A925-E944 HydrophobicContact CB-CG 3.46Å; A925-E944 VanDerWaalsContact CB-CG 3.46Å
926P92.1Very high91.2Very high39 Ų3944 Ų4425%0.25324%0.236SC..  trans-48.6135.2176.9-34.240.6000112.8D902 I928 C942 F943D902-P926 WeakPolarHBondContact OD1-CB 3.28Å; P926-I928 PolarHBondContact O-N 2.94Å; P926-C942 CarbonylContact O-C 3.53Å; P926-C942 WeakPolarHBondContact O-CA 3.39Å; P926-C942 WeakPolarHBondContact O-CB 3.37Å; P926-F943 PolarHBondContact O-N 2.77Å
927V93.7Very high91.2Very high0 Ų043.3 Ų43.30%023%0.231CC..EExtended strand (participates in β ladder)trans-77.3118.9174.7-174.20000107.6N888 G901 H923 A925 T940N888-V927 VanDerWaalsContact CB-O 3.23Å; N888-V927 WeakPolarHBondContact CB-O 3.28Å; N888-V927 PolarHBondContact ND2-O 2.87Å; G901-V927 PolarHBondContact O-N 3.17Å; G901-V927 VanDerWaalsContact O-N 3.13Å; H923-V927 HydrophobicContact CB-CG2 4.17Å; H923-V927 VanDerWaalsContact CD2-CG2 3.46Å; H923-V927 WeakPolarHBondContact CD2-CG2 3.33Å; A925-V927 PolarHBondContact O-N 2.76Å; V927-T940 HydrophobicContact CG1-CG2 4.28Å
928I90.3Very high91.3Very high17 Ų1737.6 Ų37.69%0.08721%0.21CC..EExtended strand (participates in β ladder)trans-107.9-26.2-172.154.9164.2000113.2P926 C941 F943 V972P926-I928 PolarHBondContact O-N 2.94Å; I928-C941 WeakPolarHBondContact CG1-O 3.41Å; I928-C941 PolarHBondContact N-O 3.06Å; I928-F943 HydrophobicContact CG2-CB 3.96Å; I928-F943 HydrophobicContact CG2-CD2 4.19Å; I928-V972 HydrophobicContact CD1-CB 4.45Å; I928-V972 VanDerWaalsContact CD1-N 3.31Å
929S90.7Very high91.3Very high8 Ų835.3 Ų35.36%0.05620%0.199CC..EExtended strand (participates in β ladder)trans-145153.5179.166.20000112.2T940 C941 V972 L974S929-T940 WeakPolarHBondContact O-CA 3.43Å; S929-C941 PolarHBondContact N-O 2.91Å; S929-C941 PolarHBondContact O-N 2.92Å; S929-C941 WeakPolarHBondContact OG-CB 3.16Å; S929-V972 WeakPolarHBondContact CB-O 3.33Å; S929-V972 PolarHBondContact OG-O 2.79Å; S929-L974 WeakPolarHBondContact OG-CG 3.46Å
930L93Very high91.3Very high9 Ų933.4 Ų33.45%0.04719%0.186CC..EExtended strand (participates in β ladder)trans-143.5134.9-171.7176.878.1000108.2C889 Q891 V898 A938 F939 T940C889-L930 HydrophobicContact CB-CB 4.03Å; Q891-L930 HydrophobicContact CB-CD2 3.58Å; Q891-L930 HydrophobicContact CB-CG 4.31Å; Q891-L930 HydrophobicContact CG-CD2 3.94Å; Q891-L930 HydrophobicContact CG-CG 4.4Å; Q891-L930 PolarHBondContact NE2-O 3.13Å; V898-L930 HydrophobicContact CB-CD1 4.13Å; V898-L930 HydrophobicContact CB-CD2 3.91Å; V898-L930 HydrophobicContact CG1-CD1 3.5Å; V898-L930 VanDerWaalsContact CG1-CD1 3.5Å; V898-L930 HydrophobicContact CG1-CD2 4.04Å; V898-L930 HydrophobicContact CG1-CG 4.42Å; V898-L930 WeakPolarHBondContact O-CD2 3.35Å; L930-A938 HydrophobicContact CD1-CB 4.41Å; L930-F939 CarbonylContact C-O 3.47Å; L930-F939 WeakPolarHBondContact CA-O 3.28Å; L930-T940 HydrophobicContact CD1-CG2 3.42Å; L930-T940 VanDerWaalsContact CD1-CG2 3.42Å
931A93.1Very high91.2Very high4 Ų433.3 Ų33.33%0.03319%0.185CC..EExtended strand (participates in β ladder)trans-132.9131.9169.900000108.9F939 L974 L976A931-F939 PolarHBondContact N-O 2.83Å; A931-F939 PolarHBondContact O-N 2.78Å; A931-L974 HydrophobicContact CB-CB 3.84Å; A931-L976 HydrophobicContact CB-CB 4.39Å
932T92.8Very high91Very high26 Ų2625.3 Ų25.316%0.1615%0.154CC..EExtended strand (participates in β ladder)trans-105.9144-177.848.70000111.3Q891 C893 V898 A938 L976Q891-T932 HydrophobicContact CB-CG2 3.86Å; Q891-T932 PolarHBondContact OE1-OG1 3.21Å; C893-T932 HydrophobicContact CB-CG2 3.84Å; V898-T932 HydrophobicContact CG2-CG2 4.4Å; T932-A938 HydrophobicContact CG2-CB 4.21Å; T932-L976 WeakPolarHBondContact O-CD2 3.44Å
933D90.3Very high91.1Very high29 Ų2927.4 Ų27.416%0.15516%0.158CC..EExtended strand (participates in β ladder)trans-121.8106.5175.4-177.449.8000110.1D936 V937 F939 L976 K995D933-D936 PolarHBondContact O-N 2.71Å; D933-V937 CarbonylContact C-O 3.57Å; D933-V937 WeakPolarHBondContact CA-O 3.45Å; D933-V937 HydrophobicContact CB-CB 4.07Å; D933-V937 PolarHBondContact N-O 2.98Å; D933-V937 PolarHBondContact O-N 3.02Å; D933-V937 VanDerWaalsContact O-O 3.06Å; D933-F939 HydrophobicContact CB-CE2 4.05Å; D933-L976 HydrophobicContact CB-CD2 3.37Å; D933-L976 WeakPolarHBondContact OD1-CD2 3.47Å; D933-K995 WeakPolarHBondContact OD1-CE 3.3Å; D933-K995 IonicContact OD1-NZ 2.79Å; D933-K995 PolarHBondContact OD1-NZ 2.95Å; D933-K995 WeakPolarHBondContact OD2-CE 3.25Å; D933-K995 IonicContact OD2-NZ 3.21Å; D933-K995 PolarHBondContact OD2-NZ 3.48Å
934P86.1Confident90.8Very high79 Ų7933.1 Ų33.151%0.51318%0.184SC..THydrogen-bonded Turntrans-65.7138.4176.425.9-31.5000110.7
935P84.9Confident90.5Very high72 Ų7227.3 Ų27.347%0.46815%0.154SC..THydrogen-bonded Turncis-91.9-28.811.632.3-33.3000116.1C893 N894C893-P935 PolarHBondContact SG-O 2.99Å; N894-P935 VanDerWaalsContact ND2-CA 3.3Å; N894-P935 WeakPolarHBondContact ND2-CA 3.38Å; N894-P935 WeakPolarHBondContact ND2-CB 3.15Å
936D87.5Confident90.5Very high54 Ų5427.7 Ų27.729%0.28916%0.156SC..THydrogen-bonded Turntrans-133.44.5-157.2-57.8-33.9000114.9D933 N951 L952 N953D933-D936 PolarHBondContact O-N 2.71Å; D936-N951 CarbonylContact O-C 3.48Å; D936-L952 WeakPolarHBondContact O-CB 2.99Å; D936-L952 WeakPolarHBondContact O-CG 3.11Å; D936-L952 PolarHBondContact O-N 2.67Å; D936-N953 PolarHBondContact OD1-ND2 3.39Å; D936-N953 PolarHBondContact OD2-ND2 2.95Å
937V93.1Very high90.5Very high31 Ų3125.9 Ų25.919%0.18814%0.144CC..EExtended strand (participates in β ladder)trans-115140.2-173.9179.50000110.8D933 F939 W950 L958D933-V937 CarbonylContact C-O 3.57Å; D933-V937 WeakPolarHBondContact CA-O 3.45Å; D933-V937 HydrophobicContact CB-CB 4.07Å; D933-V937 PolarHBondContact N-O 2.98Å; D933-V937 PolarHBondContact O-N 3.02Å; D933-V937 VanDerWaalsContact O-O 3.06Å; V937-F939 HydrophobicContact CG1-CE1 4.08Å; V937-F939 HydrophobicContact CG1-CE2 3.86Å; V937-F939 HydrophobicContact CG1-CZ 3.54Å; V937-W950 CarbonylContact C-O 3.54Å; V937-W950 VanDerWaalsContact CA-O 3.29Å; V937-W950 WeakPolarHBondContact CA-O 3.44Å; V937-L958 HydrophobicContact CG1-CD1 4.11Å; V937-L958 HydrophobicContact CG2-CD1 4.06Å
938A94.5Very high90.5Very high0 Ų025.9 Ų25.90%014%0.144CC..EExtended strand (participates in β ladder)trans-132143.8170.200000111.2V898 L930 T932 A949 W950 L952V898-A938 HydrophobicContact CG1-CB 4.43Å; V898-A938 HydrophobicContact CG2-CB 4.32Å; L930-A938 HydrophobicContact CD1-CB 4.41Å; T932-A938 HydrophobicContact CG2-CB 4.21Å; A938-A949 CarbonylContact O-C 3.54Å; A938-A949 WeakPolarHBondContact O-CA 3.39Å; A938-W950 PolarHBondContact N-O 3.43Å; A938-W950 PolarHBondContact O-N 3.43Å; A938-L952 HydrophobicContact CB-CD1 4.18Å; A938-L952 HydrophobicContact CB-CD2 3.68Å; A938-L952 HydrophobicContact CB-CG 4.12Å
939F95Very high90.7Very high1 Ų125 Ų250%0.00414%0.139CC..EExtended strand (participates in β ladder)trans-111134.7174.8-55.7-78.9000108.8L930 A931 D933 V937 L947 C948 A949 W959 L974 L976 L981 K995L930-F939 CarbonylContact C-O 3.47Å; L930-F939 WeakPolarHBondContact CA-O 3.28Å; A931-F939 PolarHBondContact N-O 2.83Å; A931-F939 PolarHBondContact O-N 2.78Å; D933-F939 HydrophobicContact CB-CE2 4.05Å; V937-F939 HydrophobicContact CG1-CE1 4.08Å; V937-F939 HydrophobicContact CG1-CE2 3.86Å; V937-F939 HydrophobicContact CG1-CZ 3.54Å; F939-L947 HydrophobicContact CB-CD2 4.33Å; F939-C948 CarbonylContact C-O 3.57Å; F939-C948 WeakPolarHBondContact CA-O 3.26Å; F939-A949 HydrophobicContact CD1-CB 3.57Å; F939-A949 HydrophobicContact CE1-CB 3.45Å; F939-A949 VanDerWaalsContact CE1-CB 3.45Å; F939-W959 AromaticContact CD1-CH2 3.92Å; F939-W959 HydrophobicContact CD1-CH2 3.92Å; F939-W959 AromaticContact CD1-CZ2 3.76Å; F939-W959 HydrophobicContact CD1-CZ2 3.76Å; F939-W959 HydrophobicContact CE1-CH2 4.04Å; F939-W959 AromaticContact CE1-CZ2 3.39Å; F939-W959 HydrophobicContact CE1-CZ2 3.39Å; F939-L974 HydrophobicContact CB-CD1 4.38Å; F939-L976 HydrophobicContact CD2-CD1 3.88Å; F939-L976 HydrophobicContact CE2-CD1 3.56Å; F939-L976 HydrophobicContact CE2-CD2 4.3Å; F939-L976 HydrophobicContact CZ-CD1 4.43Å; F939-L981 HydrophobicContact CB-CD1 3.9Å; F939-L981 HydrophobicContact CB-CD2 4.19Å; F939-L981 HydrophobicContact CD1-CD1 4.46Å; F939-L981 HydrophobicContact CD1-CD2 3.92Å; F939-L981 HydrophobicContact CD2-CD1 4.01Å; F939-L981 HydrophobicContact CG-CD1 3.84Å; F939-L981 HydrophobicContact CG-CD2 4.07Å; F939-K995 HydrophobicContact CE1-CG 4.45Å; F939-K995 HydrophobicContact CE2-CG 4Å; F939-K995 HydrophobicContact CZ-CG 3.51Å
940T94.9Very high90.9Very high0 Ų024.9 Ų24.90%014%0.137CC..EExtended strand (participates in β ladder)trans-130.8139.6-178.547.70000108.4A906 H923 V927 S929 L930 L947 C948 W950A906-T940 HydrophobicContact CB-CG2 4.03Å; H923-T940 PolarHBondContact CE1-O 3.34Å; H923-T940 PolarHBondContact CE1-OG1 2.9Å; H923-T940 VanDerWaalsContact NE2-CB 3.28Å; H923-T940 WeakPolarHBondContact NE2-CB 3.32Å; H923-T940 PolarHBondContact NE2-OG1 3.38Å; V927-T940 HydrophobicContact CG1-CG2 4.28Å; S929-T940 WeakPolarHBondContact O-CA 3.43Å; L930-T940 HydrophobicContact CD1-CG2 3.42Å; L930-T940 VanDerWaalsContact CD1-CG2 3.42Å; T940-L947 WeakPolarHBondContact O-CA 3.13Å; T940-C948 PolarHBondContact N-O 2.91Å; T940-C948 PolarHBondContact O-N 3.27Å; T940-C948 PolarHBondContact OG1-O 2.94Å; T940-C948 VanDerWaalsContact OG1-O 3.13Å; T940-W950 PolarHBondContact OG1-NE1 3.39Å
941C92.1Very high91Very high0 Ų025.7 Ų25.70%014%0.142CC..EExtended strand (participates in β ladder)trans-119.7136173.3-167.90000109.6I928 S929 V946 L947 L974I928-C941 WeakPolarHBondContact CG1-O 3.41Å; I928-C941 PolarHBondContact N-O 3.06Å; S929-C941 PolarHBondContact N-O 2.91Å; S929-C941 PolarHBondContact O-N 2.92Å; S929-C941 WeakPolarHBondContact OG-CB 3.16Å; C941-V946 WeakPolarHBondContact CA-O 3.48Å; C941-L947 HydrophobicContact CB-CG 4.36Å; C941-L974 HydrophobicContact CB-CD1 3.69Å; C941-L974 HydrophobicContact CB-CG 4.07Å
942C90.1Very high91Very high0 Ų025.5 Ų25.50%014%0.14CC..EExtended strand (participates in β ladder)trans-93169.5170.281.20000112.2H923 A925 P926 E944 G945 V946H923-C942 HydrophobicContact CB-CB 3.97Å; A925-C942 HydrophobicContact CB-CB 4.17Å; P926-C942 CarbonylContact O-C 3.53Å; P926-C942 WeakPolarHBondContact O-CA 3.39Å; P926-C942 WeakPolarHBondContact O-CB 3.37Å; C942-E944 PolarHBondContact O-N 2.79Å; C942-E944 PolarHBondContact SG-N 2.83Å; C942-E944 VanDerWaalsContact SG-N 3.43Å; C942-G945 PolarHBondContact O-N 2.76Å; C942-V946 PolarHBondContact N-O 3.24Å; C942-V946 WeakPolarHBondContact SG-CB 3.47Å; C942-V946 PolarHBondContact SG-N 2.85Å
943F86.9Confident91Very high64 Ų6426.9 Ų26.928%0.28115%0.147SC..THydrogen-bonded Turntrans-62.1-27.5178.5-174.7-106.3000114.2A925 P926 I928 G945 L969 T971A925-F943 HydrophobicContact CB-CB 4.2Å; P926-F943 PolarHBondContact O-N 2.77Å; I928-F943 HydrophobicContact CG2-CB 3.96Å; I928-F943 HydrophobicContact CG2-CD2 4.19Å; F943-G945 PolarHBondContact O-N 2.93Å; F943-L969 HydrophobicContact CD1-CD2 4.46Å; F943-L969 HydrophobicContact CE1-CB 4.28Å; F943-L969 HydrophobicContact CE1-CD2 3.25Å; F943-L969 HydrophobicContact CE1-CG 4.29Å; F943-L969 HydrophobicContact CE2-CB 4.43Å; F943-L969 HydrophobicContact CZ-CB 3.67Å; F943-L969 HydrophobicContact CZ-CD1 4.5Å; F943-L969 HydrophobicContact CZ-CD2 3.43Å; F943-L969 VanDerWaalsContact CZ-CD2 3.43Å; F943-L969 HydrophobicContact CZ-CG 4.02Å; F943-T971 HydrophobicContact CE2-CG2 4.4Å
944E84.3Confident91Very high131 Ų13130.3 Ų30.361%0.61216%0.162SC*.THydrogen-bonded Turntrans-83.98.9173-67.5-73.2149.200112.5A925 C942 V946A925-E944 HydrophobicContact CB-CB 4Å; A925-E944 HydrophobicContact CB-CG 3.46Å; A925-E944 VanDerWaalsContact CB-CG 3.46Å; C942-E944 PolarHBondContact O-N 2.79Å; C942-E944 PolarHBondContact SG-N 2.83Å; C942-E944 VanDerWaalsContact SG-N 3.43Å; E944-V946 VanDerWaalsContact C-N 3.3Å; E944-V946 PolarHBondContact O-N 3.4Å
945G84.4Confident91.2Very high3 Ų327.4 Ų27.43%0.03115%0.146CC..  trans78.65.3177.500000115.5C942 F943 L947C942-G945 PolarHBondContact O-N 2.76Å; F943-G945 PolarHBondContact O-N 2.93Å; G945-L947 PolarHBondContact O-N 2.71Å
946V89.8Confident91.6Very high15 Ų1531.7 Ų31.79%0.09115%0.153CC..  trans-70127.2173.8-174.70000109.6H923 C941 C942 E944 M960 D962H923-V946 PolarHBondContact CE1-O 2.99Å; C941-V946 WeakPolarHBondContact CA-O 3.48Å; C942-V946 PolarHBondContact N-O 3.24Å; C942-V946 WeakPolarHBondContact SG-CB 3.47Å; C942-V946 PolarHBondContact SG-N 2.85Å; E944-V946 VanDerWaalsContact C-N 3.3Å; E944-V946 PolarHBondContact O-N 3.4Å; V946-M960 HydrophobicContact CG1-CG 3.75Å; V946-M960 HydrophobicContact CG1-SD 4.06Å; V946-D962 HydrophobicContact CG2-CB 4.48Å
947L92.5Very high91.9Very high0 Ų032.4 Ų32.40%016%0.157CC..EExtended strand (participates in β ladder)trans-115.4122-175.9-139.4160000109.7F939 T940 C941 G945 W959 M960 T961 L974 L981 W993F939-L947 HydrophobicContact CB-CD2 4.33Å; T940-L947 WeakPolarHBondContact O-CA 3.13Å; C941-L947 HydrophobicContact CB-CG 4.36Å; G945-L947 PolarHBondContact O-N 2.71Å; L947-W959 HydrophobicContact CD2-CH2 4.1Å; L947-W959 HydrophobicContact CD2-CZ3 4.1Å; L947-M960 CarbonylContact O-C 3.51Å; L947-M960 VanDerWaalsContact O-CA 3.32Å; L947-M960 WeakPolarHBondContact O-CA 3.33Å; L947-T961 HydrophobicContact CB-CG2 3.95Å; L947-T961 PolarHBondContact N-O 3.42Å; L947-T961 PolarHBondContact O-N 2.93Å; L947-L974 HydrophobicContact CD1-CD2 3.68Å; L947-L974 HydrophobicContact CD2-CD1 4.49Å; L947-L974 HydrophobicContact CD2-CD2 4.45Å; L947-L974 HydrophobicContact CG-CD2 4.28Å; L947-L981 HydrophobicContact CD1-CD2 3.94Å; L947-L981 HydrophobicContact CD2-CD2 3.37Å; L947-L981 HydrophobicContact CG-CD2 4.3Å; L947-W993 HydrophobicContact CD1-CD2 4.28Å; L947-W993 HydrophobicContact CD1-CE3 3.97Å; L947-W993 HydrophobicContact CD1-CH2 3.65Å; L947-W993 HydrophobicContact CD1-CZ2 4.02Å; L947-W993 HydrophobicContact CD1-CZ3 3.61Å
948C93.9Very high91.8Very high0 Ų035.3 Ų35.30%017%0.17CC..EExtended strand (participates in β ladder)trans-119.2134.3-179.2-65.20000110.8H923 F939 T940 W950 L957 M960H923-C948 PolarHBondContact CE1-SG 3.31Å; F939-C948 CarbonylContact C-O 3.57Å; F939-C948 WeakPolarHBondContact CA-O 3.26Å; T940-C948 PolarHBondContact N-O 2.91Å; T940-C948 PolarHBondContact O-N 3.27Å; T940-C948 PolarHBondContact OG1-O 2.94Å; T940-C948 VanDerWaalsContact OG1-O 3.13Å; C948-W950 VanDerWaalsContact CB-CE2 3.49Å; C948-W950 HydrophobicContact CB-CZ2 3.5Å; C948-W950 VanDerWaalsContact CB-CZ2 3.5Å; C948-L957 HydrophobicContact CB-CD1 3.61Å; C948-M960 WeakPolarHBondContact SG-CE 3.38Å
949A94.8Very high91.8Very high0 Ų036.8 Ų36.80%018%0.176CC..EExtended strand (participates in β ladder)trans-102.7132.7168.900000110.4A938 F939 L958 W959A938-A949 CarbonylContact O-C 3.54Å; A938-A949 WeakPolarHBondContact O-CA 3.39Å; F939-A949 HydrophobicContact CD1-CB 3.57Å; F939-A949 HydrophobicContact CE1-CB 3.45Å; F939-A949 VanDerWaalsContact CE1-CB 3.45Å; A949-L958 HydrophobicContact CB-CB 4.2Å; A949-L958 PolarHBondContact O-N 2.74Å; A949-W959 HydrophobicContact CB-CD2 3.5Å; A949-W959 HydrophobicContact CB-CE3 4.04Å; A949-W959 HydrophobicContact CB-CG 3.94Å; A949-W959 HydrophobicContact CB-CH2 4.14Å; A949-W959 HydrophobicContact CB-CZ2 3.64Å; A949-W959 HydrophobicContact CB-CZ3 4.31Å; A949-W959 PolarHBondContact N-O 3.36Å
950W95.3Very high91.6Very high4 Ų441 Ų412%0.01520%0.197CC..EExtended strand (participates in β ladder)trans-124.3138.1-173.4-54.397.4000110.7L920 Y921 V937 A938 T940 C948 R956 L957L920-W950 HydrophobicContact CB-CD2 3.99Å; L920-W950 HydrophobicContact CB-CE3 3.89Å; L920-W950 HydrophobicContact CB-CH2 4Å; L920-W950 HydrophobicContact CB-CZ2 4.07Å; L920-W950 HydrophobicContact CB-CZ3 3.89Å; L920-W950 HydrophobicContact CD1-CB 3.96Å; L920-W950 HydrophobicContact CD1-CD2 3.75Å; L920-W950 HydrophobicContact CD1-CE3 4.19Å; L920-W950 HydrophobicContact CD1-CG 3.63Å; L920-W950 HydrophobicContact CD2-CD2 4.19Å; L920-W950 HydrophobicContact CD2-CE3 3.75Å; L920-W950 HydrophobicContact CD2-CZ3 4.28Å; L920-W950 HydrophobicContact CG-CD2 4.19Å; L920-W950 HydrophobicContact CG-CE3 4.15Å; Y921-W950 WeakPolarHBondContact O-CH2 3.28Å; V937-W950 CarbonylContact C-O 3.54Å; V937-W950 VanDerWaalsContact CA-O 3.29Å; V937-W950 WeakPolarHBondContact CA-O 3.44Å; A938-W950 PolarHBondContact N-O 3.43Å; A938-W950 PolarHBondContact O-N 3.43Å; T940-W950 PolarHBondContact OG1-NE1 3.39Å; C948-W950 VanDerWaalsContact CB-CE2 3.49Å; C948-W950 HydrophobicContact CB-CZ2 3.5Å; C948-W950 VanDerWaalsContact CB-CZ2 3.5Å; W950-R956 WeakPolarHBondContact CA-O 3.37Å; W950-L957 HydrophobicContact CD2-CD1 4.16Å; W950-L957 HydrophobicContact CE3-CB 3.9Å; W950-L957 HydrophobicContact CE3-CD1 4.02Å; W950-L957 HydrophobicContact CH2-CB 4.17Å; W950-L957 HydrophobicContact CH2-CD1 3.71Å; W950-L957 HydrophobicContact CH2-CG 4.43Å; W950-L957 HydrophobicContact CZ2-CD1 3.86Å; W950-L957 HydrophobicContact CZ3-CB 3.56Å; W950-L957 HydrophobicContact CZ3-CD1 3.82Å; W950-L957 HydrophobicContact CZ3-CG 4.25Å
951N94.2Very high91.3Very high27 Ų2741.9 Ų41.914%0.14420%0.202CC..EExtended strand (participates in β ladder)trans-85.1113.9161.5-179-11.7000108.5D936 N953 G955 R956 L958D936-N951 CarbonylContact O-C 3.48Å; N951-N953 VanDerWaalsContact C-N 3.34Å; N951-N953 PolarHBondContact O-N 2.87Å; N951-N953 PolarHBondContact OD1-N 2.9Å; N951-N953 VanDerWaalsContact OD1-N 3.07Å; N951-G955 VanDerWaalsContact O-CA 3.26Å; N951-G955 WeakPolarHBondContact O-CA 3.43Å; N951-G955 PolarHBondContact O-N 2.75Å; N951-R956 PolarHBondContact N-O 3.34Å; N951-R956 PolarHBondContact O-N 3.5Å; N951-L958 HydrophobicContact CB-CD1 4.32Å; N951-L958 HydrophobicContact CB-CD2 4.02Å; N951-L958 HydrophobicContact CB-CG 4.13Å
952L93.3Very high91Very high0 Ų047.6 Ų47.60%023%0.233CC..THydrogen-bonded Turntrans-67.9-31-176.6-61.8179.2000113C893 F896 V898 V908 H918 D936 A938C893-L952 HydrophobicContact CB-CD1 3.8Å; F896-L952 HydrophobicContact CB-CD1 4.29Å; F896-L952 HydrophobicContact CD2-CB 3.9Å; F896-L952 HydrophobicContact CD2-CD1 4.29Å; F896-L952 HydrophobicContact CE2-CB 4.26Å; F896-L952 HydrophobicContact CG-CB 4.33Å; V898-L952 HydrophobicContact CG2-CD1 3.95Å; V898-L952 HydrophobicContact CG2-CD2 3.5Å; V898-L952 HydrophobicContact CG2-CG 4.39Å; V908-L952 HydrophobicContact CG1-CB 4.34Å; V908-L952 HydrophobicContact CG1-CD2 4.09Å; V908-L952 HydrophobicContact CG2-CD2 3.58Å; H918-L952 PolarHBondContact CD2-O 2.79Å; H918-L952 VanDerWaalsContact CD2-O 3.31Å; D936-L952 WeakPolarHBondContact O-CB 2.99Å; D936-L952 WeakPolarHBondContact O-CG 3.11Å; D936-L952 PolarHBondContact O-N 2.67Å; A938-L952 HydrophobicContact CB-CD1 4.18Å; A938-L952 HydrophobicContact CB-CD2 3.68Å; A938-L952 HydrophobicContact CB-CG 4.12Å
953N92.4Very high90.4Very high54 Ų5450 Ų5029%0.28925%0.246SC..THydrogen-bonded Turntrans-70-47.1178.9-78.2-29.5000111.9F896 R917 H918 D936 N951F896-N953 WeakPolarHBondContact CE2-OD1 3.35Å; F896-N953 WeakPolarHBondContact CZ-OD1 3.16Å; R917-N953 PolarHBondContact NH2-O 3.09Å; H918-N953 PolarHBondContact NE2-O 2.7Å; D936-N953 PolarHBondContact OD1-ND2 3.39Å; D936-N953 PolarHBondContact OD2-ND2 2.95Å; N951-N953 VanDerWaalsContact C-N 3.34Å; N951-N953 PolarHBondContact O-N 2.87Å; N951-N953 PolarHBondContact OD1-N 2.9Å; N951-N953 VanDerWaalsContact OD1-N 3.07Å
954E90.7Very high89.7Confident101 Ų10147.3 Ų47.347%0.47223%0.234SC..THydrogen-bonded Turntrans-88.6-18.3-177.4-64.4-175.9-161.600113.3R956E954-R956 HydrophobicContact CB-CB 4.22Å; E954-R956 HydrophobicContact CB-CG 3.93Å; E954-R956 PolarHBondContact O-N 2.88Å; E954-R956 VanDerWaalsContact OE2-CD 3.25Å; E954-R956 WeakPolarHBondContact OE2-CD 3.43Å; E954-R956 IonicContact OE2-CZ 3.26Å; E954-R956 IonicContact OE2-NE 2.83Å; E954-R956 IonicContact OE2-NH1 3.15Å; E954-R956 PolarHBondContact OE2-NH1 3.33Å
955G91.2Very high88.5Confident18 Ų1846.4 Ų46.419%0.18624%0.238CC..THydrogen-bonded Turntrans68.618-171.900000113.4H918 L920 N951H918-G955 VanDerWaalsContact CD2-CA 3.47Å; H918-G955 WeakPolarHBondContact CD2-CA 3.21Å; H918-G955 PolarHBondContact CD2-N 2.99Å; H918-G955 PolarHBondContact NE2-N 3.24Å; L920-G955 WeakPolarHBondContact CD2-O 3.44Å; N951-G955 VanDerWaalsContact O-CA 3.26Å; N951-G955 WeakPolarHBondContact O-CA 3.43Å; N951-G955 PolarHBondContact O-N 2.75Å
956R92.6Very high87.1Confident162 Ų16248.7 Ų48.761%0.61125%0.251SS*.EExtended strand (participates in β ladder)trans-95.6142.5-174.5-71.1-171.1-176158.6-13.3112W950 N951 E954 L958W950-R956 WeakPolarHBondContact CA-O 3.37Å; N951-R956 PolarHBondContact N-O 3.34Å; N951-R956 PolarHBondContact O-N 3.5Å; E954-R956 HydrophobicContact CB-CB 4.22Å; E954-R956 HydrophobicContact CB-CG 3.93Å; E954-R956 PolarHBondContact O-N 2.88Å; E954-R956 VanDerWaalsContact OE2-CD 3.25Å; E954-R956 WeakPolarHBondContact OE2-CD 3.43Å; E954-R956 IonicContact OE2-CZ 3.26Å; E954-R956 IonicContact OE2-NE 2.83Å; E954-R956 IonicContact OE2-NH1 3.15Å; E954-R956 PolarHBondContact OE2-NH1 3.33Å; R956-L958 PolarHBondContact O-N 3.39Å
957L93.5Very high85.4Confident70 Ų7056.9 Ų56.937%0.36629%0.294SS..EExtended strand (participates in β ladder)trans-69.1121166.9-176.269.4000109C948 W950 W959 M960C948-L957 HydrophobicContact CB-CD1 3.61Å; W950-L957 HydrophobicContact CD2-CD1 4.16Å; W950-L957 HydrophobicContact CE3-CB 3.9Å; W950-L957 HydrophobicContact CE3-CD1 4.02Å; W950-L957 HydrophobicContact CH2-CB 4.17Å; W950-L957 HydrophobicContact CH2-CD1 3.71Å; W950-L957 HydrophobicContact CH2-CG 4.43Å; W950-L957 HydrophobicContact CZ2-CD1 3.86Å; W950-L957 HydrophobicContact CZ3-CB 3.56Å; W950-L957 HydrophobicContact CZ3-CD1 3.82Å; W950-L957 HydrophobicContact CZ3-CG 4.25Å; L957-W959 WeakPolarHBondContact CD1-O 3.45Å; L957-M960 HydrophobicContact CD1-CB 4.37Å; L957-M960 HydrophobicContact CD2-CB 4.1Å; L957-M960 HydrophobicContact CD2-CE 3.88Å
958L92.5Very high83.6Confident91 Ų9160.5 Ų60.548%0.47632%0.32SS..EExtended strand (participates in β ladder)trans-81.7-49.5175.6-67174000110.8V937 A949 N951 R956V937-L958 HydrophobicContact CG1-CD1 4.11Å; V937-L958 HydrophobicContact CG2-CD1 4.06Å; A949-L958 HydrophobicContact CB-CB 4.2Å; A949-L958 PolarHBondContact O-N 2.74Å; N951-L958 HydrophobicContact CB-CD1 4.32Å; N951-L958 HydrophobicContact CB-CD2 4.02Å; N951-L958 HydrophobicContact CB-CG 4.13Å; R956-L958 PolarHBondContact O-N 3.39Å
959W93.2Very high81.7Confident31 Ų3166.9 Ų66.912%0.11735%0.353CS..EExtended strand (participates in β ladder)trans-157.1157.2176.152.8-102.8000110F939 L947 A949 L957 T961 L981 K995 G998F939-W959 AromaticContact CD1-CH2 3.92Å; F939-W959 HydrophobicContact CD1-CH2 3.92Å; F939-W959 AromaticContact CD1-CZ2 3.76Å; F939-W959 HydrophobicContact CD1-CZ2 3.76Å; F939-W959 HydrophobicContact CE1-CH2 4.04Å; F939-W959 AromaticContact CE1-CZ2 3.39Å; F939-W959 HydrophobicContact CE1-CZ2 3.39Å; L947-W959 HydrophobicContact CD2-CH2 4.1Å; L947-W959 HydrophobicContact CD2-CZ3 4.1Å; A949-W959 HydrophobicContact CB-CD2 3.5Å; A949-W959 HydrophobicContact CB-CE3 4.04Å; A949-W959 HydrophobicContact CB-CG 3.94Å; A949-W959 HydrophobicContact CB-CH2 4.14Å; A949-W959 HydrophobicContact CB-CZ2 3.64Å; A949-W959 HydrophobicContact CB-CZ3 4.31Å; A949-W959 PolarHBondContact N-O 3.36Å; L957-W959 WeakPolarHBondContact CD1-O 3.45Å; W959-T961 HydrophobicContact CZ3-CG2 4.02Å; W959-L981 HydrophobicContact CH2-CD2 3.86Å; W959-K995 WeakPolarHBondContact CZ2-O 3.18Å; W959-K995 PolarHBondContact NE1-O 3.23Å; W959-K995 VanDerWaalsContact NE1-O 3.08Å; W959-G998 VanDerWaalsContact CE3-CA 3.49Å
960M91.2Very high80.3Confident91 Ų9167 Ų6745%0.44836%0.355SS..EExtended strand (participates in β ladder)trans-133.3139176176.2-173.9-72.400108.1G922 V946 L947 C948 L957G922-M960 WeakPolarHBondContact O-CE 3.43Å; V946-M960 HydrophobicContact CG1-CG 3.75Å; V946-M960 HydrophobicContact CG1-SD 4.06Å; L947-M960 CarbonylContact O-C 3.51Å; L947-M960 VanDerWaalsContact O-CA 3.32Å; L947-M960 WeakPolarHBondContact O-CA 3.33Å; C948-M960 WeakPolarHBondContact SG-CE 3.38Å; L957-M960 HydrophobicContact CD1-CB 4.37Å; L957-M960 HydrophobicContact CD2-CB 4.1Å; L957-M960 HydrophobicContact CD2-CE 3.88Å
961T89.2Confident79.1Confident17 Ų1767.8 Ų67.810%0.10436%0.36CS..EExtended strand (participates in β ladder)trans-138.2145.1173.2-164.60000110.5L947 W959 D963L947-T961 HydrophobicContact CB-CG2 3.95Å; L947-T961 PolarHBondContact N-O 3.42Å; L947-T961 PolarHBondContact O-N 2.93Å; W959-T961 HydrophobicContact CZ3-CG2 4.02Å; T961-D963 PolarHBondContact OG1-OD1 3.34Å; T961-D963 PolarHBondContact OG1-OD2 2.97Å
962D84.6Confident78.5Confident121 Ų12166.5 Ų66.565%0.64735%0.353SS*.  trans-121.833.3-179.561.7-23.1000111.2V946 I964V946-D962 HydrophobicContact CG2-CB 4.48Å; D962-I964 PolarHBondContact O-N 2.91Å
963D77.1Confident78.2Confident50 Ų5067.1 Ų67.127%0.26736%0.357SS..  trans-63.7-26.2-176.6-64.8-54.1000114.1T961 T965 W991 W993 L1000T961-D963 PolarHBondContact OG1-OD1 3.34Å; T961-D963 PolarHBondContact OG1-OD2 2.97Å; D963-T965 VanDerWaalsContact C-N 3.29Å; D963-T965 PolarHBondContact O-N 3.45Å; D963-W991 HydrophobicContact CB-CE3 4.41Å; D963-W991 HydrophobicContact CB-CZ3 4.1Å; D963-W991 WeakPolarHBondContact O-CH2 2.85Å; D963-W991 WeakPolarHBondContact O-CZ3 3.48Å; D963-W993 PolarHBondContact OD2-NE1 2.86Å; D963-L1000 HydrophobicContact CB-CD2 4.26Å
964I72.3Confident78.2Confident7 Ų765.6 Ų65.64%0.03635%0.349CS..  trans-78.780.2-175.1-48.3176.1000108.8D962 V972 W991 W993D962-I964 PolarHBondContact O-N 2.91Å; I964-V972 HydrophobicContact CD1-CG1 4.13Å; I964-V972 HydrophobicContact CD1-CG2 3.98Å; I964-V972 HydrophobicContact CG2-CG2 4.39Å; I964-W991 HydrophobicContact CG1-CD2 4.31Å; I964-W991 HydrophobicContact CG1-CG 4.47Å; I964-W993 HydrophobicContact CD1-CH2 3.55Å; I964-W993 HydrophobicContact CD1-CZ2 3.85Å; I964-W993 HydrophobicContact CG1-CH2 3.82Å; I964-W993 HydrophobicContact CG1-CZ2 3.61Å
965T60.6Low78Confident113 Ų11361.4 Ų61.469%0.69333%0.331SS*.  trans-88.7108.9173.153.50000110D963D963-T965 VanDerWaalsContact C-N 3.29Å; D963-T965 PolarHBondContact O-N 3.45Å
966T53.5Low77.8Confident50 Ų5062.1 Ų62.131%0.30733%0.331SS..  trans-130.2126.8169.550.80000110S968 A970T966-S968 PolarHBondContact O-N 3.42Å; T966-S968 PolarHBondContact OG1-O 3.12Å; T966-S968 VanDerWaalsContact OG1-O 3.13Å; T966-A970 HydrophobicContact CG2-CB 4.38Å; T966-A970 WeakPolarHBondContact OG1-CB 3.43Å
967D55.2Low77.4Confident187 Ų18754.6 Ų54.6100%130%0.303SS*.SBendtrans-62.2-5.1174.8-74-19.5000113.7
968S54.2Low76.6Confident77 Ų7753.8 Ų53.854%0.53831%0.311SS..SBendtrans-130.2140.5-177.163.30000110.8T966 A970T966-S968 PolarHBondContact O-N 3.42Å; T966-S968 PolarHBondContact OG1-O 3.12Å; T966-S968 VanDerWaalsContact OG1-O 3.13Å; S968-A970 WeakPolarHBondContact O-CB 3.35Å; S968-A970 PolarHBondContact O-N 2.98Å
969L53.6Low76Confident133 Ų13352 Ų5270%0.69631%0.31SS*.  trans-39.997.9172.3-55.8168.1000111.1F943F943-L969 HydrophobicContact CD1-CD2 4.46Å; F943-L969 HydrophobicContact CE1-CB 4.28Å; F943-L969 HydrophobicContact CE1-CD2 3.25Å; F943-L969 HydrophobicContact CE1-CG 4.29Å; F943-L969 HydrophobicContact CE2-CB 4.43Å; F943-L969 HydrophobicContact CZ-CB 3.67Å; F943-L969 HydrophobicContact CZ-CD1 4.5Å; F943-L969 HydrophobicContact CZ-CD2 3.43Å; F943-L969 VanDerWaalsContact CZ-CD2 3.43Å; F943-L969 HydrophobicContact CZ-CG 4.02Å
970A65Low75.7Confident4 Ų450.9 Ų50.93%0.03331%0.306CS..  trans-117.3113-174.800000111.2T966 S968 C985 S986T966-A970 HydrophobicContact CG2-CB 4.38Å; T966-A970 WeakPolarHBondContact OG1-CB 3.43Å; S968-A970 WeakPolarHBondContact O-CB 3.35Å; S968-A970 PolarHBondContact O-N 2.98Å; A970-C985 WeakPolarHBondContact CB-SG 3.41Å; A970-S986 VanDerWaalsContact CA-OG 3.28Å; A970-S986 WeakPolarHBondContact CA-OG 3.1Å
971T71.3Confident75.7Confident19 Ų1946.5 Ų46.512%0.11729%0.285CS..  trans-70.9134.217250.10000108.6F943 C985 S986 P1023F943-T971 HydrophobicContact CE2-CG2 4.4Å; T971-C985 CarbonylContact O-C 3.55Å; T971-C985 WeakPolarHBondContact O-CA 3.48Å; T971-S986 PolarHBondContact N-OG 2.84Å; T971-S986 PolarHBondContact O-N 3.42Å; T971-P1023 WeakPolarHBondContact O-CG 3.23Å; T971-P1023 WeakPolarHBondContact OG1-CD 3.43Å
972V82.3Confident75.7Confident0 Ų045.7 Ų45.70%028%0.28CS..EExtended strand (participates in β ladder)trans-119.2124.1-179.2-179.50000108.9I928 S929 I964 Y984 C985 L1022I928-V972 HydrophobicContact CD1-CB 4.45Å; I928-V972 VanDerWaalsContact CD1-N 3.31Å; S929-V972 WeakPolarHBondContact CB-O 3.33Å; S929-V972 PolarHBondContact OG-O 2.79Å; I964-V972 HydrophobicContact CD1-CG1 4.13Å; I964-V972 HydrophobicContact CD1-CG2 3.98Å; I964-V972 HydrophobicContact CG2-CG2 4.39Å; V972-Y984 CarbonylContact C-O 3.55Å; V972-Y984 VanDerWaalsContact CA-O 3.29Å; V972-Y984 WeakPolarHBondContact CA-O 3.42Å; V972-C985 HydrophobicContact CG2-CB 4.3Å; V972-L1022 WeakPolarHBondContact O-CD2 3.46Å
973S86.3Confident75.9Confident14 Ų1440 Ų4010%0.09825%0.249CC..EExtended strand (participates in β ladder)trans-94.4133.7168.362.10000110.3G983 Y984 P1023 M1025S973-G983 CarbonylContact O-C 3.58Å; S973-G983 WeakPolarHBondContact O-CA 3.33Å; S973-Y984 PolarHBondContact N-O 2.67Å; S973-Y984 PolarHBondContact O-N 3.27Å; S973-P1023 WeakPolarHBondContact CB-O 3.26Å; S973-P1023 PolarHBondContact OG-O 3.35Å; S973-M1025 VanDerWaalsContact O-CE 3.31Å; S973-M1025 WeakPolarHBondContact O-CE 3.34Å
974L91Very high76.2Confident21 Ų2138.2 Ų38.211%0.1124%0.239CC..EExtended strand (participates in β ladder)trans-99.3138.3177.2-71.2171.8000110.7S929 A931 F939 C941 L947 L981 I982S929-L974 WeakPolarHBondContact OG-CG 3.46Å; A931-L974 HydrophobicContact CB-CB 3.84Å; F939-L974 HydrophobicContact CB-CD1 4.38Å; C941-L974 HydrophobicContact CB-CD1 3.69Å; C941-L974 HydrophobicContact CB-CG 4.07Å; L947-L974 HydrophobicContact CD1-CD2 3.68Å; L947-L974 HydrophobicContact CD2-CD1 4.49Å; L947-L974 HydrophobicContact CD2-CD2 4.45Å; L947-L974 HydrophobicContact CG-CD2 4.28Å; L974-L981 HydrophobicContact CD2-CD1 4.06Å; L974-L981 HydrophobicContact CD2-CD2 4.31Å; L974-L981 HydrophobicContact CD2-CG 4.23Å; L974-I982 CarbonylContact C-O 3.52Å; L974-I982 WeakPolarHBondContact CA-O 3.44Å
975A88.1Confident76.7Confident13 Ų1337.9 Ų37.911%0.10724%0.237CC..EExtended strand (participates in β ladder)trans-133.1149.4163.800000109.8I982 M1025 L1027A975-I982 PolarHBondContact N-O 3.41Å; A975-I982 PolarHBondContact O-N 3.03Å; A975-M1025 HydrophobicContact CB-CE 3.35Å; A975-M1025 HydrophobicContact CB-SD 4.26Å; A975-M1025 VanDerWaalsContact N-CE 3.34Å; A975-L1027 HydrophobicContact CB-CB 4.32Å
976L87.5Confident77.4Confident33 Ų3334.8 Ų34.817%0.17322%0.22CC..EExtended strand (participates in β ladder)trans-116.2124.1-177.2-173.875000110.7A931 T932 D933 F939 L981 K995 L1027A931-L976 HydrophobicContact CB-CB 4.39Å; T932-L976 WeakPolarHBondContact O-CD2 3.44Å; D933-L976 HydrophobicContact CB-CD2 3.37Å; D933-L976 WeakPolarHBondContact OD1-CD2 3.47Å; F939-L976 HydrophobicContact CD2-CD1 3.88Å; F939-L976 HydrophobicContact CE2-CD1 3.56Å; F939-L976 HydrophobicContact CE2-CD2 4.3Å; F939-L976 HydrophobicContact CZ-CD1 4.43Å; L976-L981 HydrophobicContact CD1-CB 4.45Å; L976-L981 HydrophobicContact CD1-CD1 4.1Å; L976-K995 HydrophobicContact CD1-CD 4.01Å; L976-K995 HydrophobicContact CD1-CG 4.12Å; L976-L1027 WeakPolarHBondContact O-CD2 3.35Å
977S82.2Confident78.3Confident5 Ų533.9 Ų33.94%0.03522%0.216CC..  trans-97.4162.1164.8163.10000109.9A979 L980 D1030S977-A979 PolarHBondContact O-N 3.26Å; S977-L980 WeakPolarHBondContact CA-O 3.49Å; S977-L980 WeakPolarHBondContact CB-O 3.33Å; S977-L980 PolarHBondContact N-O 2.77Å; S977-L980 PolarHBondContact O-N 2.98Å; S977-L980 VanDerWaalsContact O-O 3.13Å; S977-D1030 WeakPolarHBondContact CB-O 3.33Å; S977-D1030 PolarHBondContact OG-O 2.96Å
978G77.6Confident79.2Confident52 Ų5228.5 Ų28.554%0.53619%0.185SC..SBendtrans-48.6-38.4-179.200000114.7K995G978-K995 PolarHBondContact O-NZ 2.92Å
979A79.8Confident80.5Confident54 Ų5425.3 Ų25.345%0.44616%0.162SC..SBendtrans-114.8-13.5179.500000114.8S977 K995S977-A979 PolarHBondContact O-N 3.26Å; A979-K995 WeakPolarHBondContact O-CB 3.19Å; A979-K995 PolarHBondContact O-N 2.95Å
980L88.1Confident82Confident7 Ų719.2 Ų19.24%0.03713%0.13CC..EExtended strand (participates in β ladder)trans-127140-167.6-64.5175000111.2W695 S977 W993 L1001 V1046 L1047W695-L980 HydrophobicContact CH2-CD2 3.93Å; W695-L980 HydrophobicContact CZ3-CD2 4.43Å; S977-L980 WeakPolarHBondContact CA-O 3.49Å; S977-L980 WeakPolarHBondContact CB-O 3.33Å; S977-L980 PolarHBondContact N-O 2.77Å; S977-L980 PolarHBondContact O-N 2.98Å; S977-L980 VanDerWaalsContact O-O 3.13Å; L980-W993 WeakPolarHBondContact CA-O 3.37Å; L980-L1001 HydrophobicContact CD2-CD1 3.15Å; L980-V1046 HydrophobicContact CD1-CG1 4.12Å; L980-L1047 HydrophobicContact CD1-CD2 3.46Å; L980-L1047 VanDerWaalsContact CD1-CD2 3.46Å
981L90.1Very high83Confident0 Ų019.6 Ų19.60%013%0.131CC..EExtended strand (participates in β ladder)trans-98.2133.4164.7178.472.7000108.7F939 L947 W959 L974 L976 L992 W993F939-L981 HydrophobicContact CB-CD1 3.9Å; F939-L981 HydrophobicContact CB-CD2 4.19Å; F939-L981 HydrophobicContact CD1-CD1 4.46Å; F939-L981 HydrophobicContact CD1-CD2 3.92Å; F939-L981 HydrophobicContact CD2-CD1 4.01Å; F939-L981 HydrophobicContact CG-CD1 3.84Å; F939-L981 HydrophobicContact CG-CD2 4.07Å; L947-L981 HydrophobicContact CD1-CD2 3.94Å; L947-L981 HydrophobicContact CD2-CD2 3.37Å; L947-L981 HydrophobicContact CG-CD2 4.3Å; W959-L981 HydrophobicContact CH2-CD2 3.86Å; L974-L981 HydrophobicContact CD2-CD1 4.06Å; L974-L981 HydrophobicContact CD2-CD2 4.31Å; L974-L981 HydrophobicContact CD2-CG 4.23Å; L976-L981 HydrophobicContact CD1-CB 4.45Å; L976-L981 HydrophobicContact CD1-CD1 4.1Å; L981-L992 WeakPolarHBondContact O-CA 3.35Å; L981-W993 HydrophobicContact CB-CB 4.27Å; L981-W993 HydrophobicContact CD2-CE3 4.18Å; L981-W993 HydrophobicContact CG-CE3 4.22Å; L981-W993 PolarHBondContact N-O 2.8Å; L981-W993 PolarHBondContact O-N 3.27Å
982I89.3Confident83.9Confident0 Ų018.9 Ų18.90%013%0.126CC..EExtended strand (participates in β ladder)trans-120.9128.5-174.2-50.5168000107.9L974 A975 L990 W991 L992 M1025 L1027 V1033 V1046L974-I982 CarbonylContact C-O 3.52Å; L974-I982 WeakPolarHBondContact CA-O 3.44Å; A975-I982 PolarHBondContact N-O 3.41Å; A975-I982 PolarHBondContact O-N 3.03Å; I982-L990 HydrophobicContact CG2-CD1 4.05Å; I982-L990 HydrophobicContact CG2-CD2 4.06Å; I982-L990 HydrophobicContact CG2-CG 4.01Å; I982-W991 WeakPolarHBondContact CA-O 3.32Å; I982-L992 HydrophobicContact CB-CD2 4.1Å; I982-L992 HydrophobicContact CG1-CD2 3.66Å; I982-L992 HydrophobicContact CG2-CD2 3.86Å; I982-M1025 HydrophobicContact CB-CE 4.47Å; I982-M1025 HydrophobicContact CB-SD 4.49Å; I982-M1025 HydrophobicContact CG2-CE 4.18Å; I982-M1025 HydrophobicContact CG2-SD 3.69Å; I982-L1027 HydrophobicContact CD1-CD1 3.98Å; I982-V1033 HydrophobicContact CD1-CG2 3.68Å; I982-V1046 HydrophobicContact CD1-CB 4.41Å; I982-V1046 HydrophobicContact CD1-CG1 3.97Å; I982-V1046 HydrophobicContact CD1-CG2 4.02Å; I982-V1046 HydrophobicContact CG1-CG1 4.19Å
983G88.2Confident84.2Confident0 Ų018.9 Ų18.90%013%0.126CC..EExtended strand (participates in β ladder)trans-120.1123.7174.100000109.7S973 L990 W991S973-G983 CarbonylContact O-C 3.58Å; S973-G983 WeakPolarHBondContact O-CA 3.33Å; G983-L990 CarbonylContact O-C 3.55Å; G983-L990 WeakPolarHBondContact O-CA 3.38Å; G983-W991 PolarHBondContact N-O 3.38Å; G983-W991 PolarHBondContact O-N 3.34Å
984Y84.9Confident84.4Confident13 Ų1319.1 Ų19.15%0.05113%0.128CC..EExtended strand (participates in β ladder)trans-107.9124172.7179-122.7000109.5V972 S973 H988 L990 P1023 M1025 I1035V972-Y984 CarbonylContact C-O 3.55Å; V972-Y984 VanDerWaalsContact CA-O 3.29Å; V972-Y984 WeakPolarHBondContact CA-O 3.42Å; S973-Y984 PolarHBondContact N-O 2.67Å; S973-Y984 PolarHBondContact O-N 3.27Å; Y984-H988 PolarHBondContact OH-ND1 2.95Å; Y984-L990 HydrophobicContact CD2-CB 4.42Å; Y984-P1023 HydrophobicContact CD1-CB 3.52Å; Y984-P1023 HydrophobicContact CD1-CG 4.09Å; Y984-P1023 HydrophobicContact CE1-CB 3.54Å; Y984-P1023 WeakPolarHBondContact O-CG 3.39Å; Y984-M1025 HydrophobicContact CD1-CB 4.26Å; Y984-I1035 HydrophobicContact CD1-CG2 3.89Å; Y984-I1035 HydrophobicContact CD2-CD1 4.1Å; Y984-I1035 HydrophobicContact CD2-CG2 4.26Å; Y984-I1035 HydrophobicContact CE1-CG2 3.31Å; Y984-I1035 HydrophobicContact CE2-CD1 4.19Å; Y984-I1035 HydrophobicContact CE2-CG2 3.72Å; Y984-I1035 HydrophobicContact CG-CG2 4.35Å; Y984-I1035 WeakPolarHBondContact OH-CG2 3.35Å
985C82.3Confident84.1Confident0 Ų019.7 Ų19.70%013%0.13CC..EExtended strand (participates in β ladder)trans-101.3147.3-172.8-174.60000110.2A970 T971 V972 S987 H988 S989A970-C985 WeakPolarHBondContact CB-SG 3.41Å; T971-C985 CarbonylContact O-C 3.55Å; T971-C985 WeakPolarHBondContact O-CA 3.48Å; V972-C985 HydrophobicContact CG2-CB 4.3Å; C985-S987 PolarHBondContact O-N 2.8Å; C985-S987 VanDerWaalsContact O-N 3.09Å; C985-S987 PolarHBondContact SG-OG 2.81Å; C985-H988 WeakPolarHBondContact O-CA 3.49Å; C985-H988 PolarHBondContact O-N 2.85Å; C985-S989 WeakPolarHBondContact CB-O 3.48Å; C985-S989 PolarHBondContact N-O 2.79Å
986S74.7Confident84Confident48 Ų4824.3 Ų24.334%0.33616%0.16SC..THydrogen-bonded Turntrans-59.1-19.8174.666.40000113.3A970 T971 H988A970-S986 VanDerWaalsContact CA-OG 3.28Å; A970-S986 WeakPolarHBondContact CA-OG 3.1Å; T971-S986 PolarHBondContact N-OG 2.84Å; T971-S986 PolarHBondContact O-N 3.42Å; S986-H988 PolarHBondContact O-N 2.79Å
987S71.8Confident84Confident32 Ų3226.1 Ų26.122%0.22417%0.172CC..THydrogen-bonded Turntrans-70.512.2168.268.60000114.1C985 S989C985-S987 PolarHBondContact O-N 2.8Å; C985-S987 VanDerWaalsContact O-N 3.09Å; C985-S987 PolarHBondContact SG-OG 2.81Å; S987-S989 PolarHBondContact O-N 3.07Å; S987-S989 VanDerWaalsContact O-N 3.15Å; S987-S989 PolarHBondContact OG-OG 3.14Å
988H75.2Confident84Confident74 Ų7426.1 Ų26.134%0.34317%0.173SC..SBendtrans57.721-174.1-54.9-67.3000114.2Y984 C985 S986 P1006Y984-H988 PolarHBondContact OH-ND1 2.95Å; C985-H988 WeakPolarHBondContact O-CA 3.49Å; C985-H988 PolarHBondContact O-N 2.85Å; S986-H988 PolarHBondContact O-N 2.79Å; H988-P1006 HydrophobicContact CB-CB 4.41Å; H988-P1006 HydrophobicContact CB-CG 4.19Å
989S81Confident84.5Confident10 Ų1029.8 Ų29.87%0.0718%0.176CC..  trans-96.5132.4178.1-60.40000110.7C985 S987 I1004 P1006C985-S989 WeakPolarHBondContact CB-O 3.48Å; C985-S989 PolarHBondContact N-O 2.79Å; S987-S989 PolarHBondContact O-N 3.07Å; S987-S989 VanDerWaalsContact O-N 3.15Å; S987-S989 PolarHBondContact OG-OG 3.14Å; S989-I1004 CarbonylContact C-O 3.55Å; S989-I1004 WeakPolarHBondContact CA-O 3.29Å; S989-P1006 WeakPolarHBondContact OG-CD 3.45Å
990L84.8Confident84.8Confident4 Ų430.3 Ų30.32%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-108122.1177.2-171.1140.2000110.5I982 G983 Y984 L992 I1004 M1025 V1033 I1035I982-L990 HydrophobicContact CG2-CD1 4.05Å; I982-L990 HydrophobicContact CG2-CD2 4.06Å; I982-L990 HydrophobicContact CG2-CG 4.01Å; G983-L990 CarbonylContact O-C 3.55Å; G983-L990 WeakPolarHBondContact O-CA 3.38Å; Y984-L990 HydrophobicContact CD2-CB 4.42Å; L990-L992 HydrophobicContact CD2-CD1 4.2Å; L990-L992 HydrophobicContact CD2-CD2 3.7Å; L990-L992 HydrophobicContact CD2-CG 3.82Å; L990-I1004 HydrophobicContact CB-CB 4.29Å; L990-I1004 HydrophobicContact CD2-CD1 4.03Å; L990-I1004 PolarHBondContact N-O 3.2Å; L990-I1004 PolarHBondContact O-N 2.76Å; L990-M1025 HydrophobicContact CD1-SD 4.48Å; L990-V1033 HydrophobicContact CD1-CG1 4.47Å; L990-I1035 HydrophobicContact CD1-CD1 3.51Å
991W87.2Confident84.6Confident13 Ų1332.7 Ų32.75%0.04918%0.184CC..EExtended strand (participates in β ladder)trans-112.3139.2-174.2-63.881.3000110.1D963 I964 I982 G983 W993 L1000 C1003D963-W991 HydrophobicContact CB-CE3 4.41Å; D963-W991 HydrophobicContact CB-CZ3 4.1Å; D963-W991 WeakPolarHBondContact O-CH2 2.85Å; D963-W991 WeakPolarHBondContact O-CZ3 3.48Å; I964-W991 HydrophobicContact CG1-CD2 4.31Å; I964-W991 HydrophobicContact CG1-CG 4.47Å; I982-W991 WeakPolarHBondContact CA-O 3.32Å; G983-W991 PolarHBondContact N-O 3.38Å; G983-W991 PolarHBondContact O-N 3.34Å; W991-W993 HydrophobicContact CB-CE3 4.27Å; W991-W993 HydrophobicContact CB-CH2 3.09Å; W991-W993 HydrophobicContact CB-CZ2 3.49Å; W991-W993 VanDerWaalsContact CB-CZ2 3.49Å; W991-W993 HydrophobicContact CB-CZ3 3.55Å; W991-W993 HydrophobicContact CD2-CZ2 4.35Å; W991-W993 HydrophobicContact CE3-CZ2 4.23Å; W991-W993 AromaticContact CG-CH2 3.88Å; W991-W993 HydrophobicContact CG-CH2 3.88Å; W991-W993 HydrophobicContact CG-CZ2 4.09Å; W991-L1000 HydrophobicContact CE3-CD1 3.63Å; W991-L1000 HydrophobicContact CE3-CD2 4.12Å; W991-L1000 HydrophobicContact CZ3-CD1 4.23Å; W991-L1000 HydrophobicContact CZ3-CD2 3.86Å; W991-C1003 HydrophobicContact CD2-CB 4.16Å; W991-C1003 HydrophobicContact CE3-CB 3.81Å; W991-C1003 HydrophobicContact CH2-CB 4.31Å; W991-C1003 VanDerWaalsContact CZ2-SG 3.53Å; W991-C1003 HydrophobicContact CZ3-CB 3.88Å
992L89.5Confident84.2Confident4 Ų433.3 Ų33.32%0.02119%0.188CC..EExtended strand (participates in β ladder)trans-128.1118.7-174-62.6176.1000110.5L981 I982 L990 L1001 S1002 I1004 V1046L981-L992 WeakPolarHBondContact O-CA 3.35Å; I982-L992 HydrophobicContact CB-CD2 4.1Å; I982-L992 HydrophobicContact CG1-CD2 3.66Å; I982-L992 HydrophobicContact CG2-CD2 3.86Å; L990-L992 HydrophobicContact CD2-CD1 4.2Å; L990-L992 HydrophobicContact CD2-CD2 3.7Å; L990-L992 HydrophobicContact CD2-CG 3.82Å; L992-L1001 WeakPolarHBondContact O-CB 3.43Å; L992-L1001 PolarHBondContact O-N 3.17Å; L992-S1002 PolarHBondContact N-O 2.89Å; L992-S1002 PolarHBondContact O-N 2.9Å; L992-I1004 HydrophobicContact CD1-CD1 4.49Å; L992-V1046 HydrophobicContact CD1-CG1 3.62Å; L992-V1046 HydrophobicContact CD2-CG1 3.18Å; L992-V1046 HydrophobicContact CG-CG1 4.04Å
993W89.2Confident83.9Confident0 Ų035.3 Ų35.30%020%0.202CC..EExtended strand (participates in β ladder)trans-114.5149.4176.9-59.1-92.9000111.7L947 D963 I964 L980 L981 W991 K995 H999L947-W993 HydrophobicContact CD1-CD2 4.28Å; L947-W993 HydrophobicContact CD1-CE3 3.97Å; L947-W993 HydrophobicContact CD1-CH2 3.65Å; L947-W993 HydrophobicContact CD1-CZ2 4.02Å; L947-W993 HydrophobicContact CD1-CZ3 3.61Å; D963-W993 PolarHBondContact OD2-NE1 2.86Å; I964-W993 HydrophobicContact CD1-CH2 3.55Å; I964-W993 HydrophobicContact CD1-CZ2 3.85Å; I964-W993 HydrophobicContact CG1-CH2 3.82Å; I964-W993 HydrophobicContact CG1-CZ2 3.61Å; L980-W993 WeakPolarHBondContact CA-O 3.37Å; L981-W993 HydrophobicContact CB-CB 4.27Å; L981-W993 HydrophobicContact CD2-CE3 4.18Å; L981-W993 HydrophobicContact CG-CE3 4.22Å; L981-W993 PolarHBondContact N-O 2.8Å; L981-W993 PolarHBondContact O-N 3.27Å; W991-W993 HydrophobicContact CB-CE3 4.27Å; W991-W993 HydrophobicContact CB-CH2 3.09Å; W991-W993 HydrophobicContact CB-CZ2 3.49Å; W991-W993 VanDerWaalsContact CB-CZ2 3.49Å; W991-W993 HydrophobicContact CB-CZ3 3.55Å; W991-W993 HydrophobicContact CD2-CZ2 4.35Å; W991-W993 HydrophobicContact CE3-CZ2 4.23Å; W991-W993 AromaticContact CG-CH2 3.88Å; W991-W993 HydrophobicContact CG-CH2 3.88Å; W991-W993 HydrophobicContact CG-CZ2 4.09Å; W993-K995 PolarHBondContact O-N 3.11Å; W993-H999 WeakPolarHBondContact CA-O 3.1Å
994S89.1Confident83.4Confident19 Ų1936.6 Ų36.613%0.13321%0.208CC..EExtended strand (participates in β ladder)trans-68.8117.7163.6168.70000108.7C996 T997 G998 H999S994-C996 VanDerWaalsContact C-N 3.28Å; S994-C996 PolarHBondContact O-N 3.38Å; S994-T997 WeakPolarHBondContact CB-OG1 3.49Å; S994-T997 PolarHBondContact O-N 3.49Å; S994-T997 PolarHBondContact OG-N 2.84Å; S994-T997 PolarHBondContact OG-OG1 2.85Å; S994-G998 WeakPolarHBondContact O-CA 3.48Å; S994-G998 PolarHBondContact O-N 3.16Å; S994-H999 PolarHBondContact N-O 3.07Å
995K86.5Confident83Confident32 Ų3242.7 Ų42.714%0.13924%0.235CC..THydrogen-bonded Turntrans-53.7-41.7-179.9179.3-173.8170.8-179.90113.4D933 F939 W959 L976 G978 A979 W993D933-K995 WeakPolarHBondContact OD1-CE 3.3Å; D933-K995 IonicContact OD1-NZ 2.79Å; D933-K995 PolarHBondContact OD1-NZ 2.95Å; D933-K995 WeakPolarHBondContact OD2-CE 3.25Å; D933-K995 IonicContact OD2-NZ 3.21Å; D933-K995 PolarHBondContact OD2-NZ 3.48Å; F939-K995 HydrophobicContact CE1-CG 4.45Å; F939-K995 HydrophobicContact CE2-CG 4Å; F939-K995 HydrophobicContact CZ-CG 3.51Å; W959-K995 WeakPolarHBondContact CZ2-O 3.18Å; W959-K995 PolarHBondContact NE1-O 3.23Å; W959-K995 VanDerWaalsContact NE1-O 3.08Å; L976-K995 HydrophobicContact CD1-CD 4.01Å; L976-K995 HydrophobicContact CD1-CG 4.12Å; G978-K995 PolarHBondContact O-NZ 2.92Å; A979-K995 WeakPolarHBondContact O-CB 3.19Å; A979-K995 PolarHBondContact O-N 2.95Å; W993-K995 PolarHBondContact O-N 3.11Å
996C85.9Confident82.2Confident110 Ų11045.1 Ų45.174%0.74325%0.251SS*.THydrogen-bonded Turntrans-80.3-34.2-175.3-60.20000113.3S994S994-C996 VanDerWaalsContact C-N 3.28Å; S994-C996 PolarHBondContact O-N 3.38Å
997T85.8Confident81.1Confident71 Ų7147.9 Ų47.944%0.43626%0.258SS..THydrogen-bonded Turntrans-107.9-12.6-170.664.10000113.8S994 H999S994-T997 WeakPolarHBondContact CB-OG1 3.49Å; S994-T997 PolarHBondContact O-N 3.49Å; S994-T997 PolarHBondContact OG-N 2.84Å; S994-T997 PolarHBondContact OG-OG1 2.85Å; T997-H999 VanDerWaalsContact CB-CD2 3.48Å; T997-H999 WeakPolarHBondContact CB-CD2 3.12Å; T997-H999 PolarHBondContact O-N 3.2Å; T997-H999 VanDerWaalsContact O-N 3.13Å; T997-H999 PolarHBondContact OG1-CD2 3.03Å; T997-H999 PolarHBondContact OG1-N 2.83Å
998G84.2Confident79.7Confident5 Ų556.3 Ų56.35%0.05229%0.294CS..  trans69.21.8-173.400000114.5W959 S994 L1000W959-G998 VanDerWaalsContact CE3-CA 3.49Å; S994-G998 WeakPolarHBondContact O-CA 3.48Å; S994-G998 PolarHBondContact O-N 3.16Å; G998-L1000 PolarHBondContact O-N 2.95Å
999H86.9Confident78.4Confident129 Ų12956.4 Ų56.460%0.59732%0.315SS*.  trans-72.3131.6-178.4-69.7-44.9000111.1W993 S994 T997 L1001W993-H999 WeakPolarHBondContact CA-O 3.1Å; S994-H999 PolarHBondContact N-O 3.07Å; T997-H999 VanDerWaalsContact CB-CD2 3.48Å; T997-H999 WeakPolarHBondContact CB-CD2 3.12Å; T997-H999 PolarHBondContact O-N 3.2Å; T997-H999 VanDerWaalsContact O-N 3.13Å; T997-H999 PolarHBondContact OG1-CD2 3.03Å; T997-H999 PolarHBondContact OG1-N 2.83Å; H999-L1001 PolarHBondContact O-N 2.79Å
1000L85.7Confident76.7Confident65 Ų6562.5 Ų62.534%0.3434%0.342SS..EExtended strand (participates in β ladder)trans-61.3118.4168.5-176.465.6000110.3D963 W991 G998 S1002D963-L1000 HydrophobicContact CB-CD2 4.26Å; W991-L1000 HydrophobicContact CE3-CD1 3.63Å; W991-L1000 HydrophobicContact CE3-CD2 4.12Å; W991-L1000 HydrophobicContact CZ3-CD1 4.23Å; W991-L1000 HydrophobicContact CZ3-CD2 3.86Å; G998-L1000 PolarHBondContact O-N 2.95Å; L1000-S1002 WeakPolarHBondContact CD1-O 3.38Å
1001L83.5Confident74.5Confident58 Ų5871 Ų7130%0.30438%0.379SS..EExtended strand (participates in β ladder)trans-92.8-35.9176.6-64169.9000111.6W695 L980 L992 H999 R1049W695-L1001 HydrophobicContact CH2-CD1 4.33Å; W695-L1001 HydrophobicContact CZ3-CD1 3.8Å; W695-L1001 HydrophobicContact CZ3-CD2 4.21Å; L980-L1001 HydrophobicContact CD2-CD1 3.15Å; L992-L1001 WeakPolarHBondContact O-CB 3.43Å; L992-L1001 PolarHBondContact O-N 3.17Å; H999-L1001 PolarHBondContact O-N 2.79Å; L1001-R1049 PolarHBondContact O-NH2 3.2Å
1002S83Confident72.6Confident13 Ų1375.2 Ų75.29%0.09141%0.408CS..EExtended strand (participates in β ladder)trans-161.6146.5-179.6-160.70000111.8L992 L1000 R1049L992-S1002 PolarHBondContact N-O 2.89Å; L992-S1002 PolarHBondContact O-N 2.9Å; L1000-S1002 WeakPolarHBondContact CD1-O 3.38Å; S1002-R1049 WeakPolarHBondContact OG-CD 3.34Å; S1002-R1049 PolarHBondContact OG-NE 2.98Å; S1002-R1049 PolarHBondContact OG-NH1 3.13Å
1003C81.8Confident70.4Confident42 Ų4277.1 Ų77.128%0.28442%0.424SS..EExtended strand (participates in β ladder)trans-117.9128161.2-179.80000107.8W991 K1005W991-C1003 HydrophobicContact CD2-CB 4.16Å; W991-C1003 HydrophobicContact CE3-CB 3.81Å; W991-C1003 HydrophobicContact CH2-CB 4.31Å; W991-C1003 VanDerWaalsContact CZ2-SG 3.53Å; W991-C1003 HydrophobicContact CZ3-CB 3.88Å; C1003-K1005 VanDerWaalsContact SG-CG 3.59Å
1004I79.2Confident68.1Low27 Ų2782 Ų8214%0.13845%0.45CS..EExtended strand (participates in β ladder)trans-108.498.5175.2-54.2-179.1000106.2S989 L990 L992 W1044 R1049S989-I1004 CarbonylContact C-O 3.55Å; S989-I1004 WeakPolarHBondContact CA-O 3.29Å; L990-I1004 HydrophobicContact CB-CB 4.29Å; L990-I1004 HydrophobicContact CD2-CD1 4.03Å; L990-I1004 PolarHBondContact N-O 3.2Å; L990-I1004 PolarHBondContact O-N 2.76Å; L992-I1004 HydrophobicContact CD1-CD1 4.49Å; I1004-W1044 HydrophobicContact CD1-CE3 4.38Å; I1004-W1044 HydrophobicContact CD1-CZ3 4.27Å; I1004-W1044 HydrophobicContact CG2-CH2 3.82Å; I1004-W1044 HydrophobicContact CG2-CZ3 3.68Å; I1004-R1049 HydrophobicContact CD1-CB 3.86Å; I1004-R1049 HydrophobicContact CD1-CG 4.31Å
1005K75.5Confident65.9Low140 Ų14083 Ų8361%0.60945%0.454SS*.PPolyproline II helixtrans-87.4149.8175.5-62.8-172.7178.3-175.30110.4C1003C1003-K1005 VanDerWaalsContact SG-CG 3.59Å
1006P64.9Low63.5Low52 Ų5289.6 Ų89.634%0.33848%0.483SS..PPolyproline II helixtrans-63.1156.5168.928.9-34.5000110.8H988 S989 E1008H988-P1006 HydrophobicContact CB-CB 4.41Å; H988-P1006 HydrophobicContact CB-CG 4.19Å; S989-P1006 WeakPolarHBondContact OG-CD 3.45Å; P1006-E1008 PolarHBondContact O-N 3.47Å
1007E52.6Low61.3Low106 Ų10687.9 Ų87.950%0.49548%0.483SS..PPolyproline II helixtrans-63.8128.9-180-76.6174.9172.900111.2R706 G1009 Q1010R706-E1007 WeakPolarHBondContact CD-OE1 3.22Å; R706-E1007 IonicContact CZ-OE1 3.67Å; R706-E1007 IonicContact CZ-OE2 2.83Å; R706-E1007 IonicContact NE-OE1 3.37Å; R706-E1007 PolarHBondContact NE-OE1 2.96Å; R706-E1007 IonicContact NH1-OE1 3.34Å; R706-E1007 PolarHBondContact NH1-OE1 2.9Å; R706-E1007 IonicContact NH1-OE2 2.74Å; R706-E1007 PolarHBondContact NH1-OE2 3.16Å; R706-E1007 IonicContact NH2-OE1 2.86Å; E1007-G1009 PolarHBondContact O-N 2.74Å; E1007-Q1010 PolarHBondContact O-N 3.47Å
1008E42.3Very low59.2Low209 Ų20986.6 Ų86.698%0.97748%0.477SS*.THydrogen-bonded Turntrans-60.298.6173.5-81.8-179.2164.200110P1006P1006-E1008 PolarHBondContact O-N 3.47Å
1009G48.2Very low57Low76 Ų7691 Ų9178%0.78450%0.498SS*.THydrogen-bonded Turntrans157.3-27.6-175.200000112.6E1007 K1011E1007-G1009 PolarHBondContact O-N 2.74Å; G1009-K1011 PolarHBondContact O-N 3.34Å
1010Q45.4Very low54.8Low137 Ų13794.4 Ų94.464%0.6451%0.512SS*.SBendtrans-8294.9161.5-66.6-173.51.200108E1007E1007-Q1010 PolarHBondContact O-N 3.47Å
1011K38.2Very low53.3Low183 Ų18395.4 Ų95.480%0.79652%0.518SS*.  trans-52.8132.5167.2-76.3-179.1176.5178.70107.9G1009 A1013G1009-K1011 PolarHBondContact O-N 3.34Å; K1011-A1013 PolarHBondContact O-N 2.88Å
1012P47.1Very low52.1Low102 Ų10296.2 Ų96.266%0.66252%0.522SS*.  trans-65.190.1170.227.8-32.3000107I1014P1012-I1014 PolarHBondContact O-N 2.86Å
1013A43.4Very low51.3Low43 Ų4396.4 Ų96.436%0.35552%0.523SS..  trans-62.3111.1162.900000104.8K1011 D1015 R1038K1011-A1013 PolarHBondContact O-N 2.88Å; A1013-D1015 PolarHBondContact O-N 2.73Å; A1013-R1038 PolarHBondContact O-NH2 2.93Å
1014I42.1Very low50.9Low104 Ų10496.1 Ų96.153%0.53352%0.517SS..  trans-53.7108.8178.2-60161.9000106.3P1012 F1016P1012-I1014 PolarHBondContact O-N 2.86Å; I1014-F1016 VanDerWaalsContact C-N 3.3Å; I1014-F1016 HydrophobicContact CB-CE2 4.37Å; I1014-F1016 HydrophobicContact CG2-CD1 4.41Å; I1014-F1016 HydrophobicContact CG2-CD2 4.49Å; I1014-F1016 HydrophobicContact CG2-CE1 4.36Å; I1014-F1016 HydrophobicContact CG2-CE2 4.44Å; I1014-F1016 HydrophobicContact CG2-CG 4.48Å; I1014-F1016 HydrophobicContact CG2-CZ 4.38Å; I1014-F1016 WeakPolarHBondContact O-CD2 3.25Å; I1014-F1016 PolarHBondContact O-N 3.09Å
1015D42.1Very low51.2Low40 Ų4096 Ų9621%0.21452%0.517CS..  trans-72.994.8169.2-98-16.7000107.4A1013 G1017 C1018 Q1062A1013-D1015 PolarHBondContact O-N 2.73Å; D1015-G1017 PolarHBondContact O-N 3.41Å; D1015-G1017 VanDerWaalsContact O-N 3.1Å; D1015-C1018 PolarHBondContact O-N 2.91Å; D1015-C1018 VanDerWaalsContact O-N 3.15Å; D1015-Q1062 WeakPolarHBondContact OD1-CG 3.38Å; D1015-Q1062 PolarHBondContact OD1-NE2 3.2Å; D1015-Q1062 VanDerWaalsContact OD1-NE2 3.12Å
1016F36.2Very low51.7Low170 Ų17090.2 Ų90.275%0.74649%0.493SS*.THydrogen-bonded Turntrans-56.3-23.2176.3-73-82.5000112.3I1014 L1019I1014-F1016 VanDerWaalsContact C-N 3.3Å; I1014-F1016 HydrophobicContact CB-CE2 4.37Å; I1014-F1016 HydrophobicContact CG2-CD1 4.41Å; I1014-F1016 HydrophobicContact CG2-CD2 4.49Å; I1014-F1016 HydrophobicContact CG2-CE1 4.36Å; I1014-F1016 HydrophobicContact CG2-CE2 4.44Å; I1014-F1016 HydrophobicContact CG2-CG 4.48Å; I1014-F1016 HydrophobicContact CG2-CZ 4.38Å; I1014-F1016 WeakPolarHBondContact O-CD2 3.25Å; I1014-F1016 PolarHBondContact O-N 3.09Å; F1016-L1019 HydrophobicContact CD1-CD1 4.35Å
1017G39.4Very low52.7Low74 Ų7489.2 Ų89.276%0.76348%0.484SS*.THydrogen-bonded Turntrans-75.7-19.5178.900000115.5D1015D1015-G1017 PolarHBondContact O-N 3.41Å; D1015-G1017 VanDerWaalsContact O-N 3.1Å
1018C41.5Very low53.8Low44 Ų4484.2 Ų84.230%0.29746%0.461SS..SBendtrans-122.613.4-171.4-67.60000114.4D1015 F1020 D1021D1015-C1018 PolarHBondContact O-N 2.91Å; D1015-C1018 VanDerWaalsContact O-N 3.15Å; C1018-F1020 PolarHBondContact O-N 3Å; C1018-D1021 HydrophobicContact CB-CB 4.43Å; C1018-D1021 PolarHBondContact O-N 3.08Å; C1018-D1021 VanDerWaalsContact O-N 3.08Å
1019L37.4Very low55.3Low96 Ų9678.6 Ų78.650%0.50343%0.433SS..THydrogen-bonded Turntrans-53.8-26.9179.8-84.2158.4000113.8F1016F1016-L1019 HydrophobicContact CD1-CD1 4.35Å
1020F42.3Very low56.4Low202 Ų20280.1 Ų80.189%0.88642%0.424SS*.THydrogen-bonded Turntrans-108.2-8-179.4-61.7-76.1000114.3C1018C1018-F1020 PolarHBondContact O-N 3Å
1021D53.1Low57.9Low86 Ų8676.3 Ų76.346%0.4641%0.408SS..SBendtrans-86.3126.9176.9-91.7-12.4000109.7C1018C1018-D1021 HydrophobicContact CB-CB 4.43Å; C1018-D1021 PolarHBondContact O-N 3.08Å; C1018-D1021 VanDerWaalsContact O-N 3.08Å
1022L57.9Low60.1Low75 Ų7568.2 Ų68.239%0.39337%0.374SS..PPolyproline II helixtrans-55.7136.9168.8-87.7134.8000109.2V972 Q1024V972-L1022 WeakPolarHBondContact O-CD2 3.46Å; L1022-Q1024 PolarHBondContact O-N 3.01Å; L1022-Q1024 VanDerWaalsContact O-N 3.12Å
1023P66.3Low61.9Low16 Ų1663.4 Ų63.410%0.10434%0.342CS..PPolyproline II helixtrans-64121.2-176.829.9-37.8000109.1T971 S973 Y984 M1025T971-P1023 WeakPolarHBondContact O-CG 3.23Å; T971-P1023 WeakPolarHBondContact OG1-CD 3.43Å; S973-P1023 WeakPolarHBondContact CB-O 3.26Å; S973-P1023 PolarHBondContact OG-O 3.35Å; Y984-P1023 HydrophobicContact CD1-CB 3.52Å; Y984-P1023 HydrophobicContact CD1-CG 4.09Å; Y984-P1023 HydrophobicContact CE1-CB 3.54Å; Y984-P1023 WeakPolarHBondContact O-CG 3.39Å; P1023-M1025 PolarHBondContact O-N 3.1Å; P1023-M1025 VanDerWaalsContact O-N 3.14Å
1024Q74.7Confident63.9Low37 Ų3761.3 Ų61.317%0.17333%0.325CS..  trans-75.4110.3-167.8-65.1-178.116.500110.9L1022 A1036 V1066 R1067 L1069L1022-Q1024 PolarHBondContact O-N 3.01Å; L1022-Q1024 VanDerWaalsContact O-N 3.12Å; Q1024-A1036 HydrophobicContact CB-CB 4.09Å; Q1024-A1036 PolarHBondContact O-N 3.19Å; Q1024-V1066 PolarHBondContact OE1-O 3.15Å; Q1024-R1067 VanDerWaalsContact OE1-C 3.26Å; Q1024-L1069 HydrophobicContact CB-CB 3.84Å; Q1024-L1069 HydrophobicContact CB-CD2 4.34Å
1025M85.8Confident66Low25 Ų2556.5 Ų56.512%0.12330%0.3CS..EExtended strand (participates in β ladder)trans-127.8135.2178.2-177.8179.355.100109.6S973 A975 I982 Y984 L990 P1023 V1033 A1034S973-M1025 VanDerWaalsContact O-CE 3.31Å; S973-M1025 WeakPolarHBondContact O-CE 3.34Å; A975-M1025 HydrophobicContact CB-CE 3.35Å; A975-M1025 HydrophobicContact CB-SD 4.26Å; A975-M1025 VanDerWaalsContact N-CE 3.34Å; I982-M1025 HydrophobicContact CB-CE 4.47Å; I982-M1025 HydrophobicContact CB-SD 4.49Å; I982-M1025 HydrophobicContact CG2-CE 4.18Å; I982-M1025 HydrophobicContact CG2-SD 3.69Å; Y984-M1025 HydrophobicContact CD1-CB 4.26Å; L990-M1025 HydrophobicContact CD1-SD 4.48Å; P1023-M1025 PolarHBondContact O-N 3.1Å; P1023-M1025 VanDerWaalsContact O-N 3.14Å; M1025-V1033 HydrophobicContact CG-CG1 3.33Å; M1025-V1033 HydrophobicContact SD-CG1 3.6Å; M1025-V1033 HydrophobicContact SD-CG2 4.5Å; M1025-A1034 WeakPolarHBondContact CA-O 3.19Å
1026V84.8Confident67.8Low17 Ų1755.6 Ų55.610%0.10330%0.298CS..EExtended strand (participates in β ladder)trans-132.3129.4177.1173.40000109.9A1034 L1069 R1071V1026-A1034 PolarHBondContact N-O 3.42Å; V1026-A1034 PolarHBondContact O-N 2.89Å; V1026-L1069 HydrophobicContact CB-CD2 4.31Å; V1026-L1069 HydrophobicContact CB-CG 4.46Å; V1026-L1069 HydrophobicContact CG2-CB 4.22Å; V1026-L1069 HydrophobicContact CG2-CD2 3.98Å; V1026-L1069 HydrophobicContact CG2-CG 3.83Å; V1026-L1069 WeakPolarHBondContact CG2-O 3.29Å; V1026-R1071 HydrophobicContact CG1-CB 3.61Å
1027L85.5Confident69.7Low31 Ų3148.4 Ų48.416%0.16227%0.269CS..EExtended strand (participates in β ladder)trans-88.2117.9172-170.475.6000110.2A975 L976 I982 K1029 V1032 V1033 R1071A975-L1027 HydrophobicContact CB-CB 4.32Å; L976-L1027 WeakPolarHBondContact O-CD2 3.35Å; I982-L1027 HydrophobicContact CD1-CD1 3.98Å; L1027-K1029 WeakPolarHBondContact CD1-O 3.35Å; L1027-K1029 VanDerWaalsContact CG-O 3.28Å; L1027-K1029 WeakPolarHBondContact CG-O 3.39Å; L1027-V1032 WeakPolarHBondContact CD1-O 3.27Å; L1027-V1033 HydrophobicContact CD1-CG2 3.52Å; L1027-R1071 WeakPolarHBondContact O-CD 2.96Å
1028L77.3Confident71.1Confident2 Ų248.7 Ų48.71%0.0125%0.247CC..EExtended strand (participates in β ladder)trans-87-49.3178.5-80.3179.3000112.5V1032 F1043 R1071 S1076 V1077 F1090L1028-V1032 HydrophobicContact CB-CG1 4.43Å; L1028-V1032 HydrophobicContact CD1-CG1 4.33Å; L1028-V1032 PolarHBondContact N-O 2.83Å; L1028-F1043 HydrophobicContact CD1-CD1 4.04Å; L1028-F1043 HydrophobicContact CD1-CE1 3.61Å; L1028-R1071 HydrophobicContact CD2-CG 3.99Å; L1028-R1071 PolarHBondContact O-NE 2.98Å; L1028-R1071 PolarHBondContact O-NH1 3.43Å; L1028-R1071 PolarHBondContact O-NH2 2.9Å; L1028-S1076 WeakPolarHBondContact CD2-O 2.96Å; L1028-V1077 HydrophobicContact CD1-CG2 3.73Å; L1028-V1077 HydrophobicContact CD2-CG2 3.53Å; L1028-V1077 HydrophobicContact CG-CG2 3.72Å; L1028-F1090 HydrophobicContact CD1-CB 3.94Å; L1028-F1090 HydrophobicContact CD1-CD2 4.03Å; L1028-F1090 HydrophobicContact CD1-CG 4.27Å
1029K72.8Confident72.5Confident91 Ų9154.8 Ų54.840%0.39626%0.264SS..EExtended strand (participates in β ladder)trans-131.3169.6178.6-67-174176.9174.80107.9L1027 N1031 V1032 D1075L1027-K1029 WeakPolarHBondContact CD1-O 3.35Å; L1027-K1029 VanDerWaalsContact CG-O 3.28Å; L1027-K1029 WeakPolarHBondContact CG-O 3.39Å; K1029-N1031 PolarHBondContact O-N 3.13Å; K1029-V1032 HydrophobicContact CB-CB 4.35Å; K1029-V1032 HydrophobicContact CB-CG2 4.49Å; K1029-V1032 PolarHBondContact O-N 2.76Å; K1029-V1032 VanDerWaalsContact O-N 3.11Å; K1029-D1075 WeakPolarHBondContact CE-OD1 3.45Å; K1029-D1075 IonicContact NZ-OD1 2.67Å; K1029-D1075 PolarHBondContact NZ-OD1 3.04Å
1030D71.8Confident74.4Confident108 Ų10850.2 Ų50.258%0.57824%0.24SC*.THydrogen-bonded Turntrans-48.9-28-178.6-69-19.1000113.9S977S977-D1030 WeakPolarHBondContact CB-O 3.33Å; S977-D1030 PolarHBondContact OG-O 2.96Å
1031N77.2Confident76.4Confident57 Ų5740.6 Ų40.631%0.30520%0.198SC..THydrogen-bonded Turntrans-120.2-5-175.6-51.9-35.3000114K1029 D1045 V1046 L1047K1029-N1031 PolarHBondContact O-N 3.13Å; N1031-D1045 CarbonylContact O-C 3.55Å; N1031-D1045 WeakPolarHBondContact O-CA 3.4Å; N1031-V1046 WeakPolarHBondContact O-CB 3.41Å; N1031-V1046 PolarHBondContact O-N 2.97Å; N1031-L1047 HydrophobicContact CB-CB 4.41Å; N1031-L1047 HydrophobicContact CB-CD1 4.03Å; N1031-L1047 HydrophobicContact CB-CG 3.8Å; N1031-L1047 WeakPolarHBondContact ND2-CD1 3.4Å; N1031-L1047 WeakPolarHBondContact OD1-CD1 3.48Å; N1031-L1047 VanDerWaalsContact OD1-CG 3.3Å; N1031-L1047 WeakPolarHBondContact OD1-CG 2.92Å
1032V83.2Confident77.8Confident13 Ų1338.1 Ų38.18%0.07918%0.183CC..EExtended strand (participates in β ladder)trans-112.3119.9-171.5177.80000110.4L1027 L1028 K1029 F1043 W1044 L1052 F1090L1027-V1032 WeakPolarHBondContact CD1-O 3.27Å; L1028-V1032 HydrophobicContact CB-CG1 4.43Å; L1028-V1032 HydrophobicContact CD1-CG1 4.33Å; L1028-V1032 PolarHBondContact N-O 2.83Å; K1029-V1032 HydrophobicContact CB-CB 4.35Å; K1029-V1032 HydrophobicContact CB-CG2 4.49Å; K1029-V1032 PolarHBondContact O-N 2.76Å; K1029-V1032 VanDerWaalsContact O-N 3.11Å; V1032-F1043 HydrophobicContact CG1-CD1 4.44Å; V1032-W1044 CarbonylContact C-O 3.41Å; V1032-W1044 WeakPolarHBondContact CA-O 3.3Å; V1032-L1052 HydrophobicContact CG1-CD1 4.37Å; V1032-L1052 HydrophobicContact CG2-CD1 4.25Å; V1032-F1090 HydrophobicContact CB-CE2 4.31Å; V1032-F1090 HydrophobicContact CG1-CD2 3.72Å; V1032-F1090 HydrophobicContact CG1-CE2 3.33Å; V1032-F1090 HydrophobicContact CG1-CZ 4.1Å; V1032-F1090 HydrophobicContact CG2-CE2 4.09Å; V1032-F1090 HydrophobicContact CG2-CZ 4.01Å
1033V85.6Confident79.1Confident0 Ų034.6 Ų34.60%017%0.165CC..EExtended strand (participates in β ladder)trans-111.3134.3177.71730000110.1I982 L990 M1025 L1027 I1035 F1043 W1044 V1046I982-V1033 HydrophobicContact CD1-CG2 3.68Å; L990-V1033 HydrophobicContact CD1-CG1 4.47Å; M1025-V1033 HydrophobicContact CG-CG1 3.33Å; M1025-V1033 HydrophobicContact SD-CG1 3.6Å; M1025-V1033 HydrophobicContact SD-CG2 4.5Å; L1027-V1033 HydrophobicContact CD1-CG2 3.52Å; V1033-I1035 HydrophobicContact CG1-CD1 4.28Å; V1033-I1035 HydrophobicContact CG1-CG1 3.71Å; V1033-F1043 CarbonylContact O-C 3.58Å; V1033-F1043 WeakPolarHBondContact O-CA 3.47Å; V1033-W1044 PolarHBondContact N-O 3.2Å; V1033-W1044 PolarHBondContact O-N 2.77Å; V1033-V1046 HydrophobicContact CB-CG2 3.86Å; V1033-V1046 HydrophobicContact CG2-CG2 3.37Å
1034A85.7Confident79.8Confident0 Ų035 Ų350%016%0.164CC..EExtended strand (participates in β ladder)trans-100.9131.1167.900000109.6M1025 V1026 I1041 Q1042 F1043 L1069 V1077M1025-A1034 WeakPolarHBondContact CA-O 3.19Å; V1026-A1034 PolarHBondContact N-O 3.42Å; V1026-A1034 PolarHBondContact O-N 2.89Å; A1034-I1041 HydrophobicContact CB-CG2 4.02Å; A1034-Q1042 CarbonylContact C-O 3.48Å; A1034-Q1042 WeakPolarHBondContact CA-O 3.25Å; A1034-F1043 HydrophobicContact CB-CD1 3.91Å; A1034-F1043 HydrophobicContact CB-CE1 3.73Å; A1034-L1069 HydrophobicContact CB-CD2 4.45Å; A1034-V1077 HydrophobicContact CB-CG1 4.49Å; A1034-V1077 HydrophobicContact CB-CG2 3.7Å
1035I85.6Confident80.1Confident3 Ų335 Ų352%0.01517%0.165CC..EExtended strand (participates in β ladder)trans-125.3135.6-177.8-53.1-178.2000108.7Y984 L990 V1033 S1037 I1041 Q1042 W1044Y984-I1035 HydrophobicContact CD1-CG2 3.89Å; Y984-I1035 HydrophobicContact CD2-CD1 4.1Å; Y984-I1035 HydrophobicContact CD2-CG2 4.26Å; Y984-I1035 HydrophobicContact CE1-CG2 3.31Å; Y984-I1035 HydrophobicContact CE2-CD1 4.19Å; Y984-I1035 HydrophobicContact CE2-CG2 3.72Å; Y984-I1035 HydrophobicContact CG-CG2 4.35Å; Y984-I1035 WeakPolarHBondContact OH-CG2 3.35Å; L990-I1035 HydrophobicContact CD1-CD1 3.51Å; V1033-I1035 HydrophobicContact CG1-CD1 4.28Å; V1033-I1035 HydrophobicContact CG1-CG1 3.71Å; I1035-S1037 PolarHBondContact O-N 2.86Å; I1035-I1041 WeakPolarHBondContact O-CA 3.31Å; I1035-Q1042 PolarHBondContact N-O 3.27Å; I1035-Q1042 PolarHBondContact O-N 2.86Å; I1035-W1044 VanDerWaalsContact CD1-CD1 3.47Å; I1035-W1044 HydrophobicContact CD1-CG 4.12Å
1036A80.5Confident79.6Confident20 Ų2033.9 Ų33.917%0.16516%0.16CC..EExtended strand (participates in β ladder)trans-66.7124.2168.900000110.7Q1024 V1066Q1024-A1036 HydrophobicContact CB-CB 4.09Å; Q1024-A1036 PolarHBondContact O-N 3.19Å; A1036-V1066 HydrophobicContact CB-CB 4.07Å; A1036-V1066 HydrophobicContact CB-CG1 4.28Å
1037S74.6Confident78.9Confident19 Ų1937.1 Ų37.113%0.13318%0.176CC..EExtended strand (participates in β ladder)trans-113.7162.3175.4173.50000110.1I1035 R1039 G1040 Q1042 E1054I1035-S1037 PolarHBondContact O-N 2.86Å; S1037-R1039 PolarHBondContact O-N 3.05Å; S1037-R1039 VanDerWaalsContact O-N 3.13Å; S1037-G1040 CarbonylContact C-O 3.6Å; S1037-G1040 WeakPolarHBondContact CA-O 2.86Å; S1037-G1040 PolarHBondContact N-O 2.88Å; S1037-G1040 PolarHBondContact O-N 2.77Å; S1037-G1040 VanDerWaalsContact O-N 3.15Å; S1037-Q1042 PolarHBondContact OG-NE2 2.8Å; S1037-E1054 WeakPolarHBondContact CB-OE1 3.3Å; S1037-E1054 PolarHBondContact OG-OE1 2.91Å
1038R69.8Low78.2Confident81 Ų8138.7 Ų38.731%0.30619%0.19SC..THydrogen-bonded Turntrans-56.7-28.6177-67-176.7179.9-166.1-5.5113.9A1013A1013-R1038 PolarHBondContact O-NH2 2.93Å
1039R71.6Confident78Confident171 Ų17143.2 Ų43.265%0.64521%0.207SC*.THydrogen-bonded Turntrans-101.6-5.8-177.5-67.1-178.7174.8154.3-2113.5S1037 S1056 I1057S1037-R1039 PolarHBondContact O-N 3.05Å; S1037-R1039 VanDerWaalsContact O-N 3.13Å; R1039-S1056 CarbonylContact O-C 3.5Å; R1039-S1056 WeakPolarHBondContact O-CA 3.25Å; R1039-I1057 PolarHBondContact O-N 2.69Å
1040G77.4Confident77.9Confident0 Ų042 Ų420%020%0.204CC..EExtended strand (participates in β ladder)trans147.6-130.9-170.300000112S1037 V1055 V1066S1037-G1040 CarbonylContact C-O 3.6Å; S1037-G1040 WeakPolarHBondContact CA-O 2.86Å; S1037-G1040 PolarHBondContact N-O 2.88Å; S1037-G1040 PolarHBondContact O-N 2.77Å; S1037-G1040 VanDerWaalsContact O-N 3.15Å; G1040-V1055 CarbonylContact C-O 3.58Å; G1040-V1055 WeakPolarHBondContact CA-O 3.4Å; G1040-V1066 WeakPolarHBondContact O-CG2 3.04Å
1041I84.4Confident78Confident0 Ų039.3 Ų39.30%019%0.188CC..EExtended strand (participates in β ladder)trans-120.5131.9-174.9-57.8173.7000110.6A1034 I1035 F1043 V1055 I1057 V1066 L1069 V1077 C1079 V1088A1034-I1041 HydrophobicContact CB-CG2 4.02Å; I1035-I1041 WeakPolarHBondContact O-CA 3.31Å; I1041-F1043 HydrophobicContact CG2-CE1 4.43Å; I1041-F1043 HydrophobicContact CG2-CE2 4.18Å; I1041-F1043 HydrophobicContact CG2-CZ 4.09Å; I1041-V1055 PolarHBondContact N-O 3.41Å; I1041-V1055 PolarHBondContact O-N 2.7Å; I1041-I1057 HydrophobicContact CD1-CD1 4.11Å; I1041-I1057 HydrophobicContact CG1-CD1 4.04Å; I1041-V1066 HydrophobicContact CG1-CG1 4.34Å; I1041-L1069 HydrophobicContact CD1-CD1 3.63Å; I1041-L1069 HydrophobicContact CG1-CD1 4.01Å; I1041-V1077 HydrophobicContact CD1-CG1 4.48Å; I1041-C1079 HydrophobicContact CD1-CB 4.29Å; I1041-V1088 HydrophobicContact CD1-CB 3.98Å; I1041-V1088 HydrophobicContact CD1-CG2 3.63Å
1042Q81.8Confident77.7Confident35 Ų3538.4 Ų38.416%0.16418%0.183CC..EExtended strand (participates in β ladder)trans-100.4126.2171-72.3175.15.200111A1034 I1035 S1037 W1044 M1051 R1053 E1054A1034-Q1042 CarbonylContact C-O 3.48Å; A1034-Q1042 WeakPolarHBondContact CA-O 3.25Å; I1035-Q1042 PolarHBondContact N-O 3.27Å; I1035-Q1042 PolarHBondContact O-N 2.86Å; S1037-Q1042 PolarHBondContact OG-NE2 2.8Å; Q1042-W1044 VanDerWaalsContact OE1-NE1 3.14Å; Q1042-M1051 VanDerWaalsContact CD-CE 3.42Å; Q1042-M1051 HydrophobicContact CG-CE 4.08Å; Q1042-M1051 HydrophobicContact CG-SD 4.21Å; Q1042-R1053 WeakPolarHBondContact CA-O 3.27Å; Q1042-E1054 HydrophobicContact CG-CB 4.02Å; Q1042-E1054 HydrophobicContact CG-CG 3.8Å; Q1042-E1054 PolarHBondContact NE2-OE1 3.02Å
1043F85.1Confident77.3Confident0 Ų039.7 Ų39.70%019%0.187CC..EExtended strand (participates in β ladder)trans-95.2125.5169.3-65.6-77.4000109.6L1028 V1032 V1033 A1034 I1041 M1051 L1052 R1053 V1055 V1077 V1088 F1090 P1091L1028-F1043 HydrophobicContact CD1-CD1 4.04Å; L1028-F1043 HydrophobicContact CD1-CE1 3.61Å; V1032-F1043 HydrophobicContact CG1-CD1 4.44Å; V1033-F1043 CarbonylContact O-C 3.58Å; V1033-F1043 WeakPolarHBondContact O-CA 3.47Å; A1034-F1043 HydrophobicContact CB-CD1 3.91Å; A1034-F1043 HydrophobicContact CB-CE1 3.73Å; I1041-F1043 HydrophobicContact CG2-CE1 4.43Å; I1041-F1043 HydrophobicContact CG2-CE2 4.18Å; I1041-F1043 HydrophobicContact CG2-CZ 4.09Å; F1043-M1051 CarbonylContact O-C 3.57Å; F1043-L1052 HydrophobicContact CB-CB 4.28Å; F1043-L1052 WeakPolarHBondContact O-CB 3.2Å; F1043-L1052 PolarHBondContact O-N 2.85Å; F1043-R1053 PolarHBondContact N-O 3.18Å; F1043-R1053 PolarHBondContact O-N 3.36Å; F1043-V1055 HydrophobicContact CD2-CG2 4.24Å; F1043-V1055 HydrophobicContact CE2-CG2 3.89Å; F1043-V1077 HydrophobicContact CE1-CG2 3.91Å; F1043-V1077 HydrophobicContact CZ-CG2 4.34Å; F1043-V1088 HydrophobicContact CE2-CG1 3.76Å; F1043-V1088 HydrophobicContact CZ-CG1 3.85Å; F1043-F1090 HydrophobicContact CB-CE2 4.43Å; F1043-F1090 AromaticContact CD1-CD2 3.82Å; F1043-F1090 HydrophobicContact CD1-CD2 3.82Å; F1043-F1090 HydrophobicContact CD1-CE2 4.4Å; F1043-F1090 HydrophobicContact CE1-CD2 4.22Å; F1043-F1090 HydrophobicContact CG-CD2 4.2Å; F1043-P1091 HydrophobicContact CD2-CG 4.41Å
1044W80.2Confident77Confident25 Ų2543 Ų4310%0.09520%0.202CC..EExtended strand (participates in β ladder)trans-116.7130.7179.1-7382.1000109.3I1004 V1032 V1033 I1035 Q1042 M1051I1004-W1044 HydrophobicContact CD1-CE3 4.38Å; I1004-W1044 HydrophobicContact CD1-CZ3 4.27Å; I1004-W1044 HydrophobicContact CG2-CH2 3.82Å; I1004-W1044 HydrophobicContact CG2-CZ3 3.68Å; V1032-W1044 CarbonylContact C-O 3.41Å; V1032-W1044 WeakPolarHBondContact CA-O 3.3Å; V1033-W1044 PolarHBondContact N-O 3.2Å; V1033-W1044 PolarHBondContact O-N 2.77Å; I1035-W1044 VanDerWaalsContact CD1-CD1 3.47Å; I1035-W1044 HydrophobicContact CD1-CG 4.12Å; Q1042-W1044 VanDerWaalsContact OE1-NE1 3.14Å; W1044-M1051 HydrophobicContact CD2-CB 4.08Å; W1044-M1051 HydrophobicContact CE3-CB 4.12Å; W1044-M1051 HydrophobicContact CH2-CB 4.11Å; W1044-M1051 HydrophobicContact CH2-CE 4.1Å; W1044-M1051 HydrophobicContact CZ2-CB 4.06Å; W1044-M1051 HydrophobicContact CZ2-CE 3.39Å; W1044-M1051 HydrophobicContact CZ2-CG 4.41Å; W1044-M1051 HydrophobicContact CZ3-CB 4.13Å
1045D81.8Confident76.6Confident36 Ų3643.5 Ų43.519%0.19321%0.205CC..EExtended strand (participates in β ladder)trans-88.7111.9160.2174.615.7000107.7N1031 L1047 S1048 R1049 M1050 L1052N1031-D1045 CarbonylContact O-C 3.55Å; N1031-D1045 WeakPolarHBondContact O-CA 3.4Å; D1045-L1047 VanDerWaalsContact C-N 3.34Å; D1045-L1047 PolarHBondContact OD1-N 2.8Å; D1045-L1047 VanDerWaalsContact OD1-N 3.08Å; D1045-S1048 VanDerWaalsContact CB-OG 3.24Å; D1045-S1048 WeakPolarHBondContact CB-OG 3.05Å; D1045-S1048 WeakPolarHBondContact OD2-CB 2.9Å; D1045-S1048 PolarHBondContact OD2-OG 3.08Å; D1045-R1049 WeakPolarHBondContact O-CA 3.17Å; D1045-R1049 PolarHBondContact O-N 3.03Å; D1045-M1050 PolarHBondContact N-O 3.21Å; D1045-M1050 PolarHBondContact O-N 3.03Å; D1045-M1050 VanDerWaalsContact O-N 3.11Å; D1045-L1052 HydrophobicContact CB-CD1 3.88Å; D1045-L1052 HydrophobicContact CB-CD2 3.74Å; D1045-L1052 HydrophobicContact CB-CG 3.74Å
1046V75.6Confident76.3Confident3 Ų347.6 Ų47.62%0.01823%0.234CC..THydrogen-bonded Turntrans-70.6-33.6-174.3174.40000111.6L980 I982 L992 N1031 V1033L980-V1046 HydrophobicContact CD1-CG1 4.12Å; I982-V1046 HydrophobicContact CD1-CB 4.41Å; I982-V1046 HydrophobicContact CD1-CG1 3.97Å; I982-V1046 HydrophobicContact CD1-CG2 4.02Å; I982-V1046 HydrophobicContact CG1-CG1 4.19Å; L992-V1046 HydrophobicContact CD1-CG1 3.62Å; L992-V1046 HydrophobicContact CD2-CG1 3.18Å; L992-V1046 HydrophobicContact CG-CG1 4.04Å; N1031-V1046 WeakPolarHBondContact O-CB 3.41Å; N1031-V1046 PolarHBondContact O-N 2.97Å; V1033-V1046 HydrophobicContact CB-CG2 3.86Å; V1033-V1046 HydrophobicContact CG2-CG2 3.37Å
1047L70.1Confident76.2Confident84 Ų8447 Ų4744%0.4423%0.228SC..THydrogen-bonded Turntrans-72-45.4177.6-71.3-170.7000111.7L980 N1031 D1045 R1049L980-L1047 HydrophobicContact CD1-CD2 3.46Å; L980-L1047 VanDerWaalsContact CD1-CD2 3.46Å; N1031-L1047 HydrophobicContact CB-CB 4.41Å; N1031-L1047 HydrophobicContact CB-CD1 4.03Å; N1031-L1047 HydrophobicContact CB-CG 3.8Å; N1031-L1047 WeakPolarHBondContact ND2-CD1 3.4Å; N1031-L1047 WeakPolarHBondContact OD1-CD1 3.48Å; N1031-L1047 VanDerWaalsContact OD1-CG 3.3Å; N1031-L1047 WeakPolarHBondContact OD1-CG 2.92Å; D1045-L1047 VanDerWaalsContact C-N 3.34Å; D1045-L1047 PolarHBondContact OD1-N 2.8Å; D1045-L1047 VanDerWaalsContact OD1-N 3.08Å; L1047-R1049 PolarHBondContact O-N 2.87Å
1048S71.1Confident76.2Confident64 Ų6454.7 Ų54.745%0.44826%0.262SS..THydrogen-bonded Turntrans-78.9-8.1177.264.80000113.4D1045 M1050D1045-S1048 VanDerWaalsContact CB-OG 3.24Å; D1045-S1048 WeakPolarHBondContact CB-OG 3.05Å; D1045-S1048 WeakPolarHBondContact OD2-CB 2.9Å; D1045-S1048 PolarHBondContact OD2-OG 3.08Å; S1048-M1050 PolarHBondContact O-N 2.61Å; S1048-M1050 WeakPolarHBondContact OG-CB 3.32Å
1049R72Confident76.3Confident97 Ų9752.4 Ų52.437%0.36626%0.263SS..THydrogen-bonded Turntrans55.831-176-51.7174.3-173.7-164.9-3.5111.8L1001 S1002 I1004 D1045 L1047L1001-R1049 PolarHBondContact O-NH2 3.2Å; S1002-R1049 WeakPolarHBondContact OG-CD 3.34Å; S1002-R1049 PolarHBondContact OG-NE 2.98Å; S1002-R1049 PolarHBondContact OG-NH1 3.13Å; I1004-R1049 HydrophobicContact CD1-CB 3.86Å; I1004-R1049 HydrophobicContact CD1-CG 4.31Å; D1045-R1049 WeakPolarHBondContact O-CA 3.17Å; D1045-R1049 PolarHBondContact O-N 3.03Å; L1047-R1049 PolarHBondContact O-N 2.87Å
1050M71.7Confident76.3Confident67 Ų6745.1 Ų45.133%0.3324%0.239SC..EExtended strand (participates in β ladder)trans-115.5133.9-174.6-172.1175.8174.400109.7V707 D1045 S1048 L1052V707-M1050 HydrophobicContact CB-CE 4.19Å; V707-M1050 VanDerWaalsContact O-CE 3.28Å; V707-M1050 WeakPolarHBondContact O-CE 3.49Å; D1045-M1050 PolarHBondContact N-O 3.21Å; D1045-M1050 PolarHBondContact O-N 3.03Å; D1045-M1050 VanDerWaalsContact O-N 3.11Å; S1048-M1050 PolarHBondContact O-N 2.61Å; S1048-M1050 WeakPolarHBondContact OG-CB 3.32Å; M1050-L1052 PolarHBondContact O-N 3.44Å; M1050-L1052 VanDerWaalsContact O-N 3.16Å
1051M72.9Confident76Confident51 Ų5147.2 Ų47.225%0.25125%0.254SS..EExtended strand (participates in β ladder)trans-66.8112.1162.5-174.3-171.2-64.700107.6Q1042 F1043 W1044 E1054Q1042-M1051 VanDerWaalsContact CD-CE 3.42Å; Q1042-M1051 HydrophobicContact CG-CE 4.08Å; Q1042-M1051 HydrophobicContact CG-SD 4.21Å; F1043-M1051 CarbonylContact O-C 3.57Å; W1044-M1051 HydrophobicContact CD2-CB 4.08Å; W1044-M1051 HydrophobicContact CE3-CB 4.12Å; W1044-M1051 HydrophobicContact CH2-CB 4.11Å; W1044-M1051 HydrophobicContact CH2-CE 4.1Å; W1044-M1051 HydrophobicContact CZ2-CB 4.06Å; W1044-M1051 HydrophobicContact CZ2-CE 3.39Å; W1044-M1051 HydrophobicContact CZ2-CG 4.41Å; W1044-M1051 HydrophobicContact CZ3-CB 4.13Å; M1051-E1054 HydrophobicContact SD-CB 4.24Å
1052L71.8Confident75Confident37 Ų3751.3 Ų51.319%0.19427%0.273CS..EExtended strand (participates in β ladder)trans-68.8-47.1177.8-66.6174.9000110.5I713 V1032 F1043 D1045 M1050 F1090I713-L1052 WeakPolarHBondContact CD1-O 3.4Å; V1032-L1052 HydrophobicContact CG1-CD1 4.37Å; V1032-L1052 HydrophobicContact CG2-CD1 4.25Å; F1043-L1052 HydrophobicContact CB-CB 4.28Å; F1043-L1052 WeakPolarHBondContact O-CB 3.2Å; F1043-L1052 PolarHBondContact O-N 2.85Å; D1045-L1052 HydrophobicContact CB-CD1 3.88Å; D1045-L1052 HydrophobicContact CB-CD2 3.74Å; D1045-L1052 HydrophobicContact CB-CG 3.74Å; M1050-L1052 PolarHBondContact O-N 3.44Å; M1050-L1052 VanDerWaalsContact O-N 3.16Å; L1052-F1090 HydrophobicContact CD1-CE2 3.62Å; L1052-F1090 HydrophobicContact CD1-CZ 3.73Å
1053R74.6Confident74.2Confident41 Ų4158.4 Ų58.416%0.15530%0.304CS..EExtended strand (participates in β ladder)trans-162.8145.6-176.7-170.9175-176.8160.39.7111.2I713 I714 D715 Q1042 F1043 V1055 P1091I713-R1053 HydrophobicContact CD1-CB 4.06Å; I713-R1053 HydrophobicContact CD1-CG 4.37Å; I714-R1053 PolarHBondContact O-NH1 2.88Å; D715-R1053 IonicContact OD1-CZ 2.95Å; D715-R1053 IonicContact OD1-NH1 2.77Å; D715-R1053 IonicContact OD1-NH2 3.93Å; D715-R1053 PolarHBondContact OD1-NH2 3.36Å; Q1042-R1053 WeakPolarHBondContact CA-O 3.27Å; F1043-R1053 PolarHBondContact N-O 3.18Å; F1043-R1053 PolarHBondContact O-N 3.36Å; R1053-V1055 HydrophobicContact CG-CG2 4.13Å; R1053-P1091 HydrophobicContact CB-CG 4.09Å
1054E78.2Confident73.5Confident69 Ų6960.4 Ų60.432%0.32232%0.318SS..EExtended strand (participates in β ladder)trans-105.3119.3159.9-175.3165.1-138.400108.3S1037 Q1042 M1051S1037-E1054 WeakPolarHBondContact CB-OE1 3.3Å; S1037-E1054 PolarHBondContact OG-OE1 2.91Å; Q1042-E1054 HydrophobicContact CG-CB 4.02Å; Q1042-E1054 HydrophobicContact CG-CG 3.8Å; Q1042-E1054 PolarHBondContact NE2-OE1 3.02Å; M1051-E1054 HydrophobicContact SD-CB 4.24Å
1055V78Confident73.2Confident11 Ų1161.1 Ų61.17%0.06733%0.325CS..EExtended strand (participates in β ladder)trans-96.3110.1173.4179.70000107.2G1040 I1041 F1043 R1053 V1088G1040-V1055 CarbonylContact C-O 3.58Å; G1040-V1055 WeakPolarHBondContact CA-O 3.4Å; I1041-V1055 PolarHBondContact N-O 3.41Å; I1041-V1055 PolarHBondContact O-N 2.7Å; F1043-V1055 HydrophobicContact CD2-CG2 4.24Å; F1043-V1055 HydrophobicContact CE2-CG2 3.89Å; R1053-V1055 HydrophobicContact CG-CG2 4.13Å; V1055-V1088 HydrophobicContact CB-CG1 4.06Å; V1055-V1088 HydrophobicContact CG1-CG1 3.91Å; V1055-V1088 HydrophobicContact CG2-CG1 3.98Å
1056S79.8Confident73.2Confident89 Ų8959.8 Ų59.862%0.62232%0.319SS*.EExtended strand (participates in β ladder)trans-74.1130.2172.153.30000110.2R1039R1039-S1056 CarbonylContact O-C 3.5Å; R1039-S1056 WeakPolarHBondContact O-CA 3.25Å
1057I77.9Confident73.4Confident7 Ų762.5 Ų62.54%0.03633%0.328CS..  trans-105.3130.5175.4-59172.9000107.3R1039 I1041 G1059 A1060 C1079 V1081 H1086 V1088R1039-I1057 PolarHBondContact O-N 2.69Å; I1041-I1057 HydrophobicContact CD1-CD1 4.11Å; I1041-I1057 HydrophobicContact CG1-CD1 4.04Å; I1057-G1059 PolarHBondContact O-N 3.29Å; I1057-A1060 HydrophobicContact CB-CB 4.14Å; I1057-A1060 VanDerWaalsContact O-CB 3.3Å; I1057-A1060 WeakPolarHBondContact O-CB 3.43Å; I1057-A1060 PolarHBondContact O-N 3.3Å; I1057-A1060 VanDerWaalsContact O-N 3.13Å; I1057-C1079 WeakPolarHBondContact CD1-SG 3.33Å; I1057-V1081 HydrophobicContact CB-CG2 4.38Å; I1057-V1081 HydrophobicContact CD1-CG2 4.18Å; I1057-V1081 HydrophobicContact CG2-CB 4.21Å; I1057-V1081 HydrophobicContact CG2-CG1 4.45Å; I1057-V1081 HydrophobicContact CG2-CG2 3.89Å; I1057-H1086 HydrophobicContact CD1-CB 4.47Å; I1057-V1088 HydrophobicContact CD1-CG2 4Å; I1057-V1088 HydrophobicContact CG1-CG2 4.47Å
1058E74.1Confident73.9Confident181 Ų18159.5 Ų59.585%0.84631%0.314SS*.THydrogen-bonded Turntrans-62.2134.3176.2-65.7-177.7168.500109.9A1060E1058-A1060 VanDerWaalsContact C-N 3.32Å; E1058-A1060 PolarHBondContact O-N 3.2Å
1059G71.3Confident74.7Confident33 Ų3356.5 Ų56.534%0.3429%0.293SS..THydrogen-bonded Turntrans89.8-23.3-172.300000114.7I1057 S1061I1057-G1059 PolarHBondContact O-N 3.29Å; G1059-S1061 PolarHBondContact O-N 3.15Å; G1059-S1061 VanDerWaalsContact O-N 3.09Å
1060A72.8Confident75.4Confident17 Ų1757.2 Ų57.214%0.1430%0.296CS..  trans-68.1114179.300000110.4I1057 E1058 V1066 V1081I1057-A1060 HydrophobicContact CB-CB 4.14Å; I1057-A1060 VanDerWaalsContact O-CB 3.3Å; I1057-A1060 WeakPolarHBondContact O-CB 3.43Å; I1057-A1060 PolarHBondContact O-N 3.3Å; I1057-A1060 VanDerWaalsContact O-N 3.13Å; E1058-A1060 VanDerWaalsContact C-N 3.32Å; E1058-A1060 PolarHBondContact O-N 3.2Å; A1060-V1066 HydrophobicContact CB-CG2 4.36Å; A1060-V1081 HydrophobicContact CB-CG1 3.93Å; A1060-V1081 HydrophobicContact CB-CG2 4.31Å
1061S70Confident76Confident45 Ų4558.9 Ų58.932%0.31530%0.299SS..SBendtrans-142.3176-17774.20000110.6G1059 F1063 C1064G1059-S1061 PolarHBondContact O-N 3.15Å; G1059-S1061 VanDerWaalsContact O-N 3.09Å; S1061-F1063 PolarHBondContact O-N 3.13Å; S1061-F1063 PolarHBondContact OG-N 2.73Å; S1061-C1064 PolarHBondContact N-O 2.83Å; S1061-C1064 VanDerWaalsContact N-O 3.09Å; S1061-C1064 CarbonylContact O-C 3.5Å; S1061-C1064 PolarHBondContact O-N 3.44Å; S1061-C1064 VanDerWaalsContact O-O 3.13Å; S1061-C1064 PolarHBondContact OG-N 3.1Å; S1061-C1064 VanDerWaalsContact OG-N 3.17Å
1062Q63.5Low76.6Confident85 Ų8556.5 Ų56.540%0.39729%0.287SS..SBendtrans-58.5-31.2172.9-165.4-179.3-5.600112.4D1015D1015-Q1062 WeakPolarHBondContact OD1-CG 3.38Å; D1015-Q1062 PolarHBondContact OD1-NE2 3.2Å; D1015-Q1062 VanDerWaalsContact OD1-NE2 3.12Å
1063F65Low76.9Confident185 Ų18555.2 Ų55.281%0.81128%0.283SS*.SBendtrans-87.1-23.3179.9-59.8-73.6000112.8S1061S1061-F1063 PolarHBondContact O-N 3.13Å; S1061-F1063 PolarHBondContact OG-N 2.73Å
1064C71.2Confident76.8Confident42 Ų4259.4 Ų59.428%0.28430%0.304SS..SBendtrans-12676.4179-60.80000109.3S1061 E1082S1061-C1064 PolarHBondContact N-O 2.83Å; S1061-C1064 VanDerWaalsContact N-O 3.09Å; S1061-C1064 CarbonylContact O-C 3.5Å; S1061-C1064 PolarHBondContact O-N 3.44Å; S1061-C1064 VanDerWaalsContact O-O 3.13Å; S1061-C1064 PolarHBondContact OG-N 3.1Å; S1061-C1064 VanDerWaalsContact OG-N 3.17Å; C1064-E1082 HydrophobicContact CB-CG 3.93Å
1065P74.8Confident76.7Confident39 Ų3960 Ų6025%0.25331%0.309SS..  trans-70.3161.5-177.529.5-35.3000111.7R1067P1065-R1067 PolarHBondContact O-N 2.8Å
1066V80.3Confident77Confident9 Ų959.6 Ų59.66%0.05531%0.307CS..  trans-66.7117.6171.4179.30000109.4Q1024 A1036 G1040 I1041 A1060 L1069 C1079 V1081Q1024-V1066 PolarHBondContact OE1-O 3.15Å; A1036-V1066 HydrophobicContact CB-CB 4.07Å; A1036-V1066 HydrophobicContact CB-CG1 4.28Å; G1040-V1066 WeakPolarHBondContact O-CG2 3.04Å; I1041-V1066 HydrophobicContact CG1-CG1 4.34Å; A1060-V1066 HydrophobicContact CB-CG2 4.36Å; V1066-L1069 HydrophobicContact CG1-CD1 4.33Å; V1066-C1079 HydrophobicContact CG1-CB 3.39Å; V1066-V1081 HydrophobicContact CB-CG2 4.5Å; V1066-V1081 HydrophobicContact CG2-CG2 3.95Å
1067R81.4Confident77.4Confident59 Ų5955.4 Ų55.422%0.22328%0.278CS..EExtended strand (participates in β ladder)trans-107158.8179.6-60.1-175.1-64167-5.2111.5E727 Q1024 P1065 L1069 V1080 E1082E727-R1067 IonicContact OE1-CZ 3.44Å; E727-R1067 IonicContact OE1-NH1 3.99Å; E727-R1067 PolarHBondContact OE1-NH1 2.75Å; E727-R1067 IonicContact OE1-NH2 3.28Å; E727-R1067 PolarHBondContact OE1-NH2 3.03Å; Q1024-R1067 VanDerWaalsContact OE1-C 3.26Å; P1065-R1067 PolarHBondContact O-N 2.8Å; R1067-L1069 PolarHBondContact O-N 2.58Å; R1067-V1080 HydrophobicContact CB-CB 4.35Å; R1067-V1080 PolarHBondContact N-O 3.31Å; R1067-V1080 PolarHBondContact O-N 3.4Å; R1067-E1082 PolarHBondContact NH2-O 3.13Å
1068C79.8Confident77.9Confident22 Ų2255 Ų5515%0.14928%0.276CS..EExtended strand (participates in β ladder)trans50.643.8171.8-65.70000115.5L731 R1070 V1080L731-C1068 HydrophobicContact CB-CB 3.73Å; L731-C1068 HydrophobicContact CD2-CB 4.47Å; C1068-R1070 PolarHBondContact O-N 3.49Å; C1068-V1080 HydrophobicContact CB-CG2 4.24Å
1069L87Confident78.6Confident1 Ų146.4 Ų46.41%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-59.4119.7175-162.472.9000110.8Q1024 V1026 A1034 I1041 V1066 R1067 V1077 V1078 C1079Q1024-L1069 HydrophobicContact CB-CB 3.84Å; Q1024-L1069 HydrophobicContact CB-CD2 4.34Å; V1026-L1069 HydrophobicContact CB-CD2 4.31Å; V1026-L1069 HydrophobicContact CB-CG 4.46Å; V1026-L1069 HydrophobicContact CG2-CB 4.22Å; V1026-L1069 HydrophobicContact CG2-CD2 3.98Å; V1026-L1069 HydrophobicContact CG2-CG 3.83Å; V1026-L1069 WeakPolarHBondContact CG2-O 3.29Å; A1034-L1069 HydrophobicContact CB-CD2 4.45Å; I1041-L1069 HydrophobicContact CD1-CD1 3.63Å; I1041-L1069 HydrophobicContact CG1-CD1 4.01Å; V1066-L1069 HydrophobicContact CG1-CD1 4.33Å; R1067-L1069 PolarHBondContact O-N 2.58Å; L1069-V1077 HydrophobicContact CD1-CG1 3.33Å; L1069-V1077 HydrophobicContact CG-CG1 3.67Å; L1069-V1078 CarbonylContact C-O 3.57Å; L1069-V1078 WeakPolarHBondContact CA-O 3.4Å; L1069-C1079 HydrophobicContact CD1-CB 3.99Å
1070R86.6Confident79.2Confident112 Ų11244.9 Ų44.942%0.42322%0.22SC..EExtended strand (participates in β ladder)trans-140.7146.4-178.7-66.1-64.9-179.7-102.56.2111.7C1068 V1077 V1078C1068-R1070 PolarHBondContact O-N 3.49Å; R1070-V1077 CarbonylContact O-C 3.56Å; R1070-V1077 WeakPolarHBondContact O-CA 3.09Å; R1070-V1077 VanDerWaalsContact O-CG1 3.27Å; R1070-V1077 WeakPolarHBondContact O-CG1 3.42Å; R1070-V1078 PolarHBondContact N-O 3.06Å; R1070-V1078 PolarHBondContact O-N 2.84Å
1071R86Confident79.6Confident101 Ų10144.2 Ų44.238%0.38121%0.214SC..EExtended strand (participates in β ladder)trans-71.8138172179.3168.8174-175.9-6.6109.9S733 V1026 L1027 L1028 G1073S733-R1071 WeakPolarHBondContact CB-O 3.44Å; V1026-R1071 HydrophobicContact CG1-CB 3.61Å; L1027-R1071 WeakPolarHBondContact O-CD 2.96Å; L1028-R1071 HydrophobicContact CD2-CG 3.99Å; L1028-R1071 PolarHBondContact O-NE 2.98Å; L1028-R1071 PolarHBondContact O-NH1 3.43Å; L1028-R1071 PolarHBondContact O-NH2 2.9Å; R1071-G1073 WeakPolarHBondContact CG-O 3.33Å; R1071-G1073 PolarHBondContact NE-O 2.92Å
1072L83.7Confident80Confident2 Ų246.6 Ų46.61%0.0122%0.22CC..EExtended strand (participates in β ladder)trans-130.1103.9170.9178.775.1000108.4D736 S1076 V1078 R1087D736-L1072 WeakPolarHBondContact O-CD1 3.3Å; L1072-S1076 CarbonylContact C-O 3.58Å; L1072-S1076 PolarHBondContact N-O 3.02Å; L1072-S1076 PolarHBondContact O-N 2.58Å; L1072-S1076 PolarHBondContact O-OG 3.17Å; L1072-V1078 HydrophobicContact CB-CG2 3.58Å; L1072-V1078 HydrophobicContact CD2-CG2 3.53Å; L1072-V1078 HydrophobicContact CG-CG2 4.11Å; L1072-R1087 HydrophobicContact CD2-CG 4.35Å
1073G79Confident80.6Confident10 Ų1045.6 Ų45.610%0.10322%0.217CC..THydrogen-bonded Turntrans67.5-160.3-17400000113.1D736 R1071D736-G1073 PolarHBondContact O-N 2.74Å; R1071-G1073 WeakPolarHBondContact CG-O 3.33Å; R1071-G1073 PolarHBondContact NE-O 2.92Å
1074E73Confident81.5Confident129 Ų12938.3 Ų38.360%0.60319%0.188SC*.THydrogen-bonded Turntrans-82.2-26.8-177.9-62.7-169.5160.500114.2
1075D76.1Confident82.2Confident81 Ų8136.3 Ų36.343%0.43317%0.174SC..THydrogen-bonded Turntrans-122.67.8-164.5-66.6-34.1000113.7K1029 F1090K1029-D1075 WeakPolarHBondContact CE-OD1 3.45Å; K1029-D1075 IonicContact NZ-OD1 2.67Å; K1029-D1075 PolarHBondContact NZ-OD1 3.04Å; D1075-F1090 VanDerWaalsContact O-CB 3.26Å; D1075-F1090 WeakPolarHBondContact O-CB 3.42Å; D1075-F1090 PolarHBondContact O-N 3.12Å
1076S84.7Confident82.8Confident3 Ų335.4 Ų35.42%0.02117%0.166CC..EExtended strand (participates in β ladder)trans-142.7152.5179.654.20000114.4L1028 L1072 R1087L1028-S1076 WeakPolarHBondContact CD2-O 2.96Å; L1072-S1076 CarbonylContact C-O 3.58Å; L1072-S1076 PolarHBondContact N-O 3.02Å; L1072-S1076 PolarHBondContact O-N 2.58Å; L1072-S1076 PolarHBondContact O-OG 3.17Å; S1076-R1087 PolarHBondContact OG-NE 3.4Å; S1076-R1087 PolarHBondContact OG-NH2 3.14Å
1077V88.1Confident83.1Confident0 Ų037.7 Ų37.70%017%0.174CC..EExtended strand (participates in β ladder)trans-116147.5172.9-171.90000107.9L1028 A1034 I1041 F1043 L1069 R1070 R1087 V1088L1028-V1077 HydrophobicContact CD1-CG2 3.73Å; L1028-V1077 HydrophobicContact CD2-CG2 3.53Å; L1028-V1077 HydrophobicContact CG-CG2 3.72Å; A1034-V1077 HydrophobicContact CB-CG1 4.49Å; A1034-V1077 HydrophobicContact CB-CG2 3.7Å; I1041-V1077 HydrophobicContact CD1-CG1 4.48Å; F1043-V1077 HydrophobicContact CE1-CG2 3.91Å; F1043-V1077 HydrophobicContact CZ-CG2 4.34Å; L1069-V1077 HydrophobicContact CD1-CG1 3.33Å; L1069-V1077 HydrophobicContact CG-CG1 3.67Å; R1070-V1077 CarbonylContact O-C 3.56Å; R1070-V1077 WeakPolarHBondContact O-CA 3.09Å; R1070-V1077 VanDerWaalsContact O-CG1 3.27Å; R1070-V1077 WeakPolarHBondContact O-CG1 3.42Å; V1077-R1087 CarbonylContact O-C 3.57Å; V1077-R1087 WeakPolarHBondContact O-CA 3.07Å; V1077-V1088 PolarHBondContact N-O 2.91Å; V1077-V1088 PolarHBondContact O-N 2.81Å
1078V88.7Confident83.3Confident0 Ų035 Ų350%016%0.164CC..EExtended strand (participates in β ladder)trans-117.9142.5172-171.60000109.2L731 L739 L1069 R1070 L1072 I1085 H1086 R1087L731-V1078 HydrophobicContact CD2-CB 4.15Å; L731-V1078 HydrophobicContact CD2-CG1 3.66Å; L739-V1078 HydrophobicContact CD2-CB 4.47Å; L739-V1078 HydrophobicContact CD2-CG1 3.77Å; L739-V1078 HydrophobicContact CD2-CG2 4.41Å; L1069-V1078 CarbonylContact C-O 3.57Å; L1069-V1078 WeakPolarHBondContact CA-O 3.4Å; R1070-V1078 PolarHBondContact N-O 3.06Å; R1070-V1078 PolarHBondContact O-N 2.84Å; L1072-V1078 HydrophobicContact CB-CG2 3.58Å; L1072-V1078 HydrophobicContact CD2-CG2 3.53Å; L1072-V1078 HydrophobicContact CG-CG2 4.11Å; V1078-I1085 HydrophobicContact CG1-CG2 3.27Å; V1078-H1086 CarbonylContact C-O 3.54Å; V1078-H1086 VanDerWaalsContact CA-O 3.27Å; V1078-H1086 WeakPolarHBondContact CA-O 3.16Å; V1078-H1086 WeakPolarHBondContact CG1-O 3.14Å; V1078-R1087 HydrophobicContact CG2-CB 4.19Å; V1078-R1087 HydrophobicContact CG2-CG 4.46Å
1079C87.2Confident83.3Confident0 Ų035.5 Ų35.50%017%0.167CC..EExtended strand (participates in β ladder)trans-143.3167.7172.664.50000111.1I1041 I1057 V1066 L1069 I1085 H1086I1041-C1079 HydrophobicContact CD1-CB 4.29Å; I1057-C1079 WeakPolarHBondContact CD1-SG 3.33Å; V1066-C1079 HydrophobicContact CG1-CB 3.39Å; L1069-C1079 HydrophobicContact CD1-CB 3.99Å; C1079-I1085 CarbonylContact O-C 3.57Å; C1079-I1085 WeakPolarHBondContact O-CA 3.33Å; C1079-H1086 PolarHBondContact N-O 2.86Å; C1079-H1086 PolarHBondContact O-N 2.81Å
1080V84Confident82.6Confident1 Ų136.9 Ų36.91%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-110.4128.4172.2-179.80000108.3Y728 L731 R1067 C1068 E1082 V1084 I1085Y728-V1080 HydrophobicContact CD2-CG1 4.44Å; L731-V1080 HydrophobicContact CD2-CG2 4.41Å; R1067-V1080 HydrophobicContact CB-CB 4.35Å; R1067-V1080 PolarHBondContact N-O 3.31Å; R1067-V1080 PolarHBondContact O-N 3.4Å; C1068-V1080 HydrophobicContact CB-CG2 4.24Å; V1080-E1082 WeakPolarHBondContact CG1-O 3.43Å; V1080-V1084 WeakPolarHBondContact CA-O 3.3Å; V1080-I1085 HydrophobicContact CG2-CG1 4.18Å
1081V80.7Confident81.4Confident2 Ų231.6 Ų31.61%0.01215%0.154CC..EExtended strand (participates in β ladder)trans-126.5128.2170.4177.70000106.3I1057 A1060 V1066 D1083 V1084I1057-V1081 HydrophobicContact CB-CG2 4.38Å; I1057-V1081 HydrophobicContact CD1-CG2 4.18Å; I1057-V1081 HydrophobicContact CG2-CB 4.21Å; I1057-V1081 HydrophobicContact CG2-CG1 4.45Å; I1057-V1081 HydrophobicContact CG2-CG2 3.89Å; A1060-V1081 HydrophobicContact CB-CG1 3.93Å; A1060-V1081 HydrophobicContact CB-CG2 4.31Å; V1066-V1081 HydrophobicContact CB-CG2 4.5Å; V1066-V1081 HydrophobicContact CG2-CG2 3.95Å; V1081-D1083 PolarHBondContact O-N 3.43Å; V1081-D1083 VanDerWaalsContact O-N 3.12Å; V1081-V1084 PolarHBondContact N-O 2.98Å; V1081-V1084 PolarHBondContact O-N 3.36Å
1082E78.3Confident79.9Confident96 Ų9631.6 Ų31.645%0.44916%0.164SC..THydrogen-bonded Turntrans51.8-117.9-167.7-59.8177.6170.900110C1064 R1067 V1080C1064-E1082 HydrophobicContact CB-CG 3.93Å; R1067-E1082 PolarHBondContact NH2-O 3.13Å; V1080-E1082 WeakPolarHBondContact CG1-O 3.43Å
1083D77.9Confident78.3Confident63 Ų6334.1 Ų34.134%0.33718%0.18SC..THydrogen-bonded Turntrans-112.420.6-179.9-58.4-30.8000112.4E727 Y728 V1081E727-D1083 WeakPolarHBondContact CA-OD1 3.45Å; Y728-D1083 WeakPolarHBondContact CE2-O 3.5Å; V1081-D1083 PolarHBondContact O-N 3.43Å; V1081-D1083 VanDerWaalsContact O-N 3.12Å
1084V82.8Confident76.3Confident32 Ų3240.1 Ų40.119%0.19420%0.203CC..EExtended strand (participates in β ladder)trans-121130.6-176-172.60000110.8A720 V1080 V1081 H1086A720-V1084 HydrophobicContact CB-CG1 3.91Å; V1080-V1084 WeakPolarHBondContact CA-O 3.3Å; V1081-V1084 PolarHBondContact N-O 2.98Å; V1081-V1084 PolarHBondContact O-N 3.36Å; V1084-H1086 PolarHBondContact O-CD2 3.44Å
1085I85.9Confident74.7Confident1 Ų140.7 Ų40.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-83.2123.3171.7-59.9167.2000107.7F721 Y728 L731 L739 W751 V1078 C1079 V1080F721-I1085 HydrophobicContact CB-CB 4.01Å; F721-I1085 HydrophobicContact CB-CG2 4.49Å; F721-I1085 HydrophobicContact CD1-CG2 4.33Å; F721-I1085 HydrophobicContact CD2-CB 4.18Å; F721-I1085 HydrophobicContact CD2-CG2 3.81Å; F721-I1085 VanDerWaalsContact CD2-O 3.27Å; F721-I1085 WeakPolarHBondContact CD2-O 3.34Å; F721-I1085 HydrophobicContact CE2-CG2 4.1Å; F721-I1085 HydrophobicContact CG-CB 4.03Å; F721-I1085 HydrophobicContact CG-CG2 3.96Å; F721-I1085 HydrophobicContact CZ-CG2 4.48Å; F721-I1085 PolarHBondContact N-O 3.29Å; Y728-I1085 HydrophobicContact CD1-CD1 4.23Å; Y728-I1085 HydrophobicContact CD2-CD1 4.19Å; Y728-I1085 HydrophobicContact CD2-CG1 3.82Å; Y728-I1085 HydrophobicContact CE1-CD1 4.05Å; Y728-I1085 HydrophobicContact CE2-CD1 3.98Å; Y728-I1085 HydrophobicContact CE2-CG1 3.82Å; Y728-I1085 HydrophobicContact CG-CD1 4.3Å; Y728-I1085 HydrophobicContact CG-CG1 4.27Å; L731-I1085 HydrophobicContact CD1-CD1 4.08Å; L731-I1085 HydrophobicContact CD1-CG1 4.48Å; L739-I1085 HydrophobicContact CD2-CG2 3.87Å; W751-I1085 HydrophobicContact CZ2-CD1 4.3Å; V1078-I1085 HydrophobicContact CG1-CG2 3.27Å; C1079-I1085 CarbonylContact O-C 3.57Å; C1079-I1085 WeakPolarHBondContact O-CA 3.33Å; V1080-I1085 HydrophobicContact CG2-CG1 4.18Å
1086H86.6Confident74.6Confident19 Ų1938.7 Ų38.79%0.08820%0.204CC..EExtended strand (participates in β ladder)trans-111.5125.4175.7-66.2-84.1000110.3L719 I1057 V1078 C1079 V1084L719-H1086 WeakPolarHBondContact O-CA 3.32Å; I1057-H1086 HydrophobicContact CD1-CB 4.47Å; V1078-H1086 CarbonylContact C-O 3.54Å; V1078-H1086 VanDerWaalsContact CA-O 3.27Å; V1078-H1086 WeakPolarHBondContact CA-O 3.16Å; V1078-H1086 WeakPolarHBondContact CG1-O 3.14Å; C1079-H1086 PolarHBondContact N-O 2.86Å; C1079-H1086 PolarHBondContact O-N 2.81Å; V1084-H1086 PolarHBondContact O-CD2 3.44Å
1087R87.2Confident74Confident58 Ų5840.6 Ų40.622%0.21921%0.214CC..EExtended strand (participates in β ladder)trans-92.1118.1162.7171.3178.4-175.5-141.6-3.8109.4P718 L719 F721 G753 R754 L1072 S1076 V1077 V1078 P1089P718-R1087 WeakPolarHBondContact CA-O 3.26Å; L719-R1087 HydrophobicContact CB-CB 4.36Å; L719-R1087 PolarHBondContact N-O 3.17Å; L719-R1087 PolarHBondContact O-N 3.08Å; F721-R1087 HydrophobicContact CE2-CB 3.55Å; F721-R1087 HydrophobicContact CZ-CB 4.22Å; G753-R1087 WeakPolarHBondContact O-CD 3.41Å; G753-R1087 PolarHBondContact O-NE 3.48Å; G753-R1087 PolarHBondContact O-NH1 2.97Å; R754-R1087 PolarHBondContact O-NH1 2.68Å; L1072-R1087 HydrophobicContact CD2-CG 4.35Å; S1076-R1087 PolarHBondContact OG-NE 3.4Å; S1076-R1087 PolarHBondContact OG-NH2 3.14Å; V1077-R1087 CarbonylContact O-C 3.57Å; V1077-R1087 WeakPolarHBondContact O-CA 3.07Å; V1078-R1087 HydrophobicContact CG2-CB 4.19Å; V1078-R1087 HydrophobicContact CG2-CG 4.46Å; R1087-P1089 WeakPolarHBondContact O-CD 3.19Å
1088V85.6Confident73.3Confident2 Ų242.8 Ų42.81%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-103.1104.5174.4-173.90000108.3P718 I1041 F1043 V1055 I1057 V1077P718-V1088 HydrophobicContact CB-CG2 4.11Å; I1041-V1088 HydrophobicContact CD1-CB 3.98Å; I1041-V1088 HydrophobicContact CD1-CG2 3.63Å; F1043-V1088 HydrophobicContact CE2-CG1 3.76Å; F1043-V1088 HydrophobicContact CZ-CG1 3.85Å; V1055-V1088 HydrophobicContact CB-CG1 4.06Å; V1055-V1088 HydrophobicContact CG1-CG1 3.91Å; V1055-V1088 HydrophobicContact CG2-CG1 3.98Å; I1057-V1088 HydrophobicContact CD1-CG2 4Å; I1057-V1088 HydrophobicContact CG1-CG2 4.47Å; V1077-V1088 PolarHBondContact N-O 2.91Å; V1077-V1088 PolarHBondContact O-N 2.81Å
1089P80.3Confident72.4Confident33 Ų3345.4 Ų45.421%0.21424%0.239CC..EExtended strand (participates in β ladder)trans-63.7143.1169.326.3-32.8000110.6S716 R1087S716-P1089 WeakPolarHBondContact OG-CG 3.37Å; R1087-P1089 WeakPolarHBondContact O-CD 3.19Å
1090F72.9Confident71.4Confident29 Ų2948.2 Ų48.213%0.12725%0.254CS..  trans-62.5133.7170.7175.3-105.7000109.2L1028 V1032 F1043 L1052 D1075 V1092L1028-F1090 HydrophobicContact CD1-CB 3.94Å; L1028-F1090 HydrophobicContact CD1-CD2 4.03Å; L1028-F1090 HydrophobicContact CD1-CG 4.27Å; V1032-F1090 HydrophobicContact CB-CE2 4.31Å; V1032-F1090 HydrophobicContact CG1-CD2 3.72Å; V1032-F1090 HydrophobicContact CG1-CE2 3.33Å; V1032-F1090 HydrophobicContact CG1-CZ 4.1Å; V1032-F1090 HydrophobicContact CG2-CE2 4.09Å; V1032-F1090 HydrophobicContact CG2-CZ 4.01Å; F1043-F1090 HydrophobicContact CB-CE2 4.43Å; F1043-F1090 AromaticContact CD1-CD2 3.82Å; F1043-F1090 HydrophobicContact CD1-CD2 3.82Å; F1043-F1090 HydrophobicContact CD1-CE2 4.4Å; F1043-F1090 HydrophobicContact CE1-CD2 4.22Å; F1043-F1090 HydrophobicContact CG-CD2 4.2Å; L1052-F1090 HydrophobicContact CD1-CE2 3.62Å; L1052-F1090 HydrophobicContact CD1-CZ 3.73Å; D1075-F1090 VanDerWaalsContact O-CB 3.26Å; D1075-F1090 WeakPolarHBondContact O-CB 3.42Å; D1075-F1090 PolarHBondContact O-N 3.12Å; F1090-V1092 PolarHBondContact O-N 3.45Å
1091P61.6Low70.6Confident2 Ų251.3 Ų51.31%0.01327%0.271CS..  trans-58.3113.5177.421.6-34.4000111.8I713 F1043 R1053 V1093I713-P1091 HydrophobicContact CD1-CB 4.43Å; I713-P1091 HydrophobicContact CG2-CB 3.26Å; F1043-P1091 HydrophobicContact CD2-CG 4.41Å; R1053-P1091 HydrophobicContact CB-CG 4.09Å; P1091-V1093 PolarHBondContact O-N 3.12Å; P1091-V1093 VanDerWaalsContact O-N 3.07Å
1092V53.7Low69.9Low100 Ų10054.9 Ų54.961%0.60629%0.289SS*.  trans-69.4106.8167-1760000107F1090 K1094F1090-V1092 PolarHBondContact O-N 3.45Å; V1092-K1094 PolarHBondContact O-N 3.33Å; V1092-K1094 VanDerWaalsContact O-N 3.12Å
1093V49.9Very low69.2Low55 Ų5551.7 Ų51.733%0.33328%0.277SS..BIsolated β-bridgetrans-60.2116.7169.3-176.10000106.3P1091 V1095P1091-V1093 PolarHBondContact O-N 3.12Å; P1091-V1093 VanDerWaalsContact O-N 3.07Å; V1093-V1095 PolarHBondContact O-N 2.93Å
1094K37Very low68.5Low137 Ų13750.8 Ų50.860%0.59627%0.272SS*.  trans-66.2110.1170-151.7176.9-173-1790105.8F712 I714 V1092F712-K1094 PolarHBondContact O-N 3.23Å; F712-K1094 VanDerWaalsContact O-N 3.13Å; I714-K1094 HydrophobicContact CD1-CB 4.23Å; I714-K1094 HydrophobicContact CD1-CD 4.11Å; I714-K1094 HydrophobicContact CD1-CG 4.04Å; I714-K1094 HydrophobicContact CG1-CB 4.18Å; I714-K1094 HydrophobicContact CG1-CD 4.15Å; I714-K1094 HydrophobicContact CG1-CG 4.36Å; V1092-K1094 PolarHBondContact O-N 3.33Å; V1092-K1094 VanDerWaalsContact O-N 3.12Å
1095V38.5Very low67.2Low141 Ų14152.5 Ų52.586%0.85528%0.279SS*.  trans-65.40177.2178.40000110V1093V1093-V1095 PolarHBondContact O-N 2.93Å

Retrieved 1,095 of 1,095 residues in 1031.3 ms (Link to these results)