A0A5K4F5B2_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4F5B2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 91 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
1M31.3Very low65Low232 Ų232130.8 Ų130.8100%1.14367%0.668SS**  091.50-168.7-175.1-77.800108.2
2I35.5Very low67.6Low160 Ų160127.9 Ų127.982%0.82166%0.655SS**  trans-113.788.9178.2-54-179.9000107.6
3M37.3Very low69.9Low188 Ų188120.6 Ų120.693%0.92663%0.625SS**  trans-123.922.1164.9-70.1-159-57.600112.1
4S39.5Very low71.9Confident102 Ų102116.4 Ų116.471%0.71360%0.604SS**  trans-110.1105.2171.7-178.70000108.8
5K47.4Very low73.7Confident181 Ų181109.8 Ų109.879%0.78757%0.57SS**SBendtrans-151.3-28.5131.6-111.5169-171.5-1760116.8
6H57.7Low75.2Confident121 Ų121107 Ų10756%0.5656%0.562SS**  trans-151.3101170-64.282.8000110A8 M80H6-A8 PolarHBondContact O-N 3.33Å; H6-M80 HydrophobicContact CB-CE 4.27Å
7K81.8Confident76.5Confident185 Ų185109.4 Ų109.480%0.80457%0.57SS**  trans-68.2118172-173.9178.5-179.6-178.20107.3L9K7-L9 PolarHBondContact O-N 2.9Å
8A94.6Very high77.7Confident21 Ų21108.4 Ų108.417%0.17457%0.566CS.*EExtended strand (participates in β ladder)trans-62.4132.9173.200000109.5H6 I24 F78 Y79 M80H6-A8 PolarHBondContact O-N 3.33Å; A8-I24 HydrophobicContact CB-CB 4.39Å; A8-I24 HydrophobicContact CB-CD1 3.61Å; A8-I24 HydrophobicContact CB-CG1 3.73Å; A8-I24 HydrophobicContact CB-CG2 3.74Å; A8-F78 HydrophobicContact CB-CD2 4.2Å; A8-Y79 CarbonylContact C-O 3.6Å; A8-Y79 WeakPolarHBondContact CA-O 3.41Å; A8-M80 HydrophobicContact CB-SD 3.54Å; A8-M80 VanDerWaalsContact CB-SD 3.54Å
9L96.4Very high78.8Confident107 Ų107103.6 Ų103.656%0.5654%0.54SS*.EExtended strand (participates in β ladder)trans-107.2102.4171.3-63177000108K7 S11 F78 Y79K7-L9 PolarHBondContact O-N 2.9Å; L9-S11 PolarHBondContact O-N 2.82Å; L9-F78 CarbonylContact O-C 3.5Å; L9-F78 VanDerWaalsContact O-CA 3.23Å; L9-F78 WeakPolarHBondContact O-CA 3.35Å; L9-F78 WeakPolarHBondContact O-CB 3.44Å; L9-Y79 PolarHBondContact N-O 2.94Å; L9-Y79 PolarHBondContact O-N 3.36Å
10I97.2Very high79.8Confident74 Ų74100.3 Ų100.338%0.37952%0.522SS..EExtended strand (participates in β ladder)trans-75118.2177.8-56179000108.1A13 Q20 I24 I76 F78I10-A13 HydrophobicContact CG2-CB 4.01Å; I10-Q20 HydrophobicContact CD1-CB 4.37Å; I10-Q20 VanDerWaalsContact CD1-OE1 3.23Å; I10-I24 HydrophobicContact CD1-CD1 3.96Å; I10-I24 HydrophobicContact CG1-CD1 4.17Å; I10-I76 HydrophobicContact CD1-CD1 4.48Å; I10-I76 HydrophobicContact CG2-CG1 4.42Å; I10-F78 HydrophobicContact CB-CB 4.45Å; I10-F78 HydrophobicContact CG1-CB 4.19Å
11S96.1Very high80.6Confident68 Ų68102.5 Ų102.548%0.47652%0.523SS..EExtended strand (participates in β ladder)trans-89.1-40.3178.4-61.80000111.2L9 Y77 Y79L9-S11 PolarHBondContact O-N 2.82Å; S11-Y77 VanDerWaalsContact CB-CD1 3.5Å; S11-Y77 PolarHBondContact N-O 3.01Å; S11-Y79 WeakPolarHBondContact OG-CD2 3.23Å; S11-Y79 WeakPolarHBondContact OG-CE2 3.3Å
12N96.9Very high83.8Confident96 Ų9694.1 Ų94.151%0.51348%0.482SS..EExtended strand (participates in β ladder)trans-155.5145.6176.7-165.82.9000110F75 Y77N12-F75 HydrophobicContact CB-CE1 4.08Å; N12-Y77 PolarHBondContact N-O 3.05Å; N12-Y77 VanDerWaalsContact N-O 3.1Å; N12-Y77 PolarHBondContact O-N 3.46Å
13A97.6Very high86.8Confident33 Ų3386.5 Ų86.527%0.27344%0.443SS..EExtended strand (participates in β ladder)trans-153.3136.4176.900000111I10 Q20 F75 I76I10-A13 HydrophobicContact CG2-CB 4.01Å; A13-Q20 HydrophobicContact CB-CG 4.26Å; A13-F75 CarbonylContact C-O 3.43Å; A13-F75 WeakPolarHBondContact CA-O 3.35Å; A13-I76 HydrophobicContact CB-CB 4.47Å; A13-I76 HydrophobicContact CB-CG1 4.01Å
14D97.7Very high89.7Confident62 Ų6279 Ų7933%0.33241%0.406SS..EExtended strand (participates in β ladder)trans-126.680.9162.9176.327.5000107K73 H74 F75D14-K73 VanDerWaalsContact CG-N 3.33Å; D14-K73 CarbonylContact O-C 3.49Å; D14-K73 WeakPolarHBondContact O-CA 3.47Å; D14-K73 PolarHBondContact OD2-N 2.8Å; D14-H74 PolarHBondContact O-N 2.81Å; D14-F75 CarbonylContact C-O 3.37Å; D14-F75 HydrophobicContact CB-CB 4.36Å; D14-F75 PolarHBondContact N-O 3.29Å; D14-F75 PolarHBondContact O-N 3.3Å
15M97.9Very high92.5Very high17 Ų1779.2 Ų79.28%0.08440%0.399CS..SBendtrans-171.4167.217554.8169.755.900109.8M19 Q20 W56 K73 F75 I76M15-M19 HydrophobicContact CB-CB 4.41Å; M15-M19 HydrophobicContact CB-CG 4.48Å; M15-M19 HydrophobicContact CB-SD 3.9Å; M15-M19 HydrophobicContact CE-CG 4.11Å; M15-M19 HydrophobicContact CE-SD 3.71Å; M15-M19 HydrophobicContact SD-CB 4.04Å; M15-M19 HydrophobicContact SD-CG 3.7Å; M15-M19 HydrophobicContact SD-SD 3.97Å; M15-Q20 HydrophobicContact CG-CG 3.62Å; M15-Q20 PolarHBondContact O-NE2 3.17Å; M15-Q20 HydrophobicContact SD-CG 3.95Å; M15-W56 HydrophobicContact CE-CH2 3.99Å; M15-W56 HydrophobicContact CE-CZ3 4.01Å; M15-K73 WeakPolarHBondContact CA-O 3.48Å; M15-K73 VanDerWaalsContact CB-O 3.28Å; M15-K73 WeakPolarHBondContact CB-O 3.47Å; M15-F75 WeakPolarHBondContact CG-O 3.32Å; M15-I76 HydrophobicContact CE-CB 3.97Å; M15-I76 HydrophobicContact CE-CG2 3.85Å; M15-I76 HydrophobicContact CG-CB 4.36Å; M15-I76 HydrophobicContact SD-CB 3.73Å; M15-I76 HydrophobicContact SD-CD1 4.34Å; M15-I76 HydrophobicContact SD-CG2 3.87Å
16S97.9Very high94.9Very high65 Ų6571.2 Ų71.246%0.45537%0.366SS..  trans-67152-179.767.60000113D18 M19 Q20S16-D18 PolarHBondContact O-N 2.84Å; S16-M19 PolarHBondContact O-N 3.45Å; S16-M19 WeakPolarHBondContact OG-CB 3.44Å; S16-M19 PolarHBondContact OG-N 2.83Å; S16-Q20 WeakPolarHBondContact O-CG 3.41Å; S16-Q20 PolarHBondContact O-N 3.19Å
17E97.6Very high96.8Very high147 Ų14765.5 Ų65.569%0.68734%0.339SS*.Hα-helixtrans-58.5-33.2177.8-65.8-171.5170.100113.4Q20 R21E17-Q20 PolarHBondContact O-N 3.46Å; E17-R21 WeakPolarHBondContact O-CG 3.48Å; E17-R21 PolarHBondContact O-N 3.1Å
18D98Very high97.5Very high93 Ų9358.6 Ų58.650%0.49731%0.312SS..Hα-helixtrans-61.9-49.1172.8-72.8-35.2000110.8S16 Q20 R21 E22S16-D18 PolarHBondContact O-N 2.84Å; D18-Q20 VanDerWaalsContact C-N 3.3Å; D18-Q20 PolarHBondContact O-N 3.28Å; D18-R21 PolarHBondContact O-N 2.86Å; D18-R21 IonicContact OD1-CZ 3.38Å; D18-R21 IonicContact OD1-NE 3.99Å; D18-R21 IonicContact OD1-NH2 2.58Å; D18-R21 PolarHBondContact OD1-NH2 2.9Å; D18-E22 WeakPolarHBondContact O-CG 3.36Å; D18-E22 PolarHBondContact O-N 3.35Å
19M98.4Very high97.6Very high17 Ų1761.6 Ų61.68%0.08432%0.323CS..Hα-helixtrans-65.2-34.9178.7-169-179.5-70.700111.8M15 S16 E22 A23 F48 Y52 W56M15-M19 HydrophobicContact CB-CB 4.41Å; M15-M19 HydrophobicContact CB-CG 4.48Å; M15-M19 HydrophobicContact CB-SD 3.9Å; M15-M19 HydrophobicContact CE-CG 4.11Å; M15-M19 HydrophobicContact CE-SD 3.71Å; M15-M19 HydrophobicContact SD-CB 4.04Å; M15-M19 HydrophobicContact SD-CG 3.7Å; M15-M19 HydrophobicContact SD-SD 3.97Å; S16-M19 PolarHBondContact O-N 3.45Å; S16-M19 WeakPolarHBondContact OG-CB 3.44Å; S16-M19 PolarHBondContact OG-N 2.83Å; M19-E22 PolarHBondContact O-N 2.86Å; M19-A23 WeakPolarHBondContact O-CB 3.24Å; M19-A23 PolarHBondContact O-N 3.28Å; M19-F48 HydrophobicContact CG-CE1 4.06Å; M19-Y52 HydrophobicContact CE-CD1 3.74Å; M19-Y52 HydrophobicContact CE-CD2 4.46Å; M19-Y52 HydrophobicContact CE-CE1 3.59Å; M19-Y52 HydrophobicContact CE-CE2 4.31Å; M19-Y52 HydrophobicContact CE-CG 4.15Å; M19-Y52 HydrophobicContact CG-CE2 3.93Å; M19-W56 HydrophobicContact SD-CH2 3.8Å; M19-W56 HydrophobicContact SD-CZ2 4.29Å
20Q98.5Very high97.7Very high36 Ų3656.5 Ų56.517%0.16830%0.296CS..Hα-helixtrans-62.8-45.6173.9-64.2177.732.600111.6I10 A13 M15 S16 E17 D18 E22 A23 I24 I76I10-Q20 HydrophobicContact CD1-CB 4.37Å; I10-Q20 VanDerWaalsContact CD1-OE1 3.23Å; A13-Q20 HydrophobicContact CB-CG 4.26Å; M15-Q20 HydrophobicContact CG-CG 3.62Å; M15-Q20 PolarHBondContact O-NE2 3.17Å; M15-Q20 HydrophobicContact SD-CG 3.95Å; S16-Q20 WeakPolarHBondContact O-CG 3.41Å; S16-Q20 PolarHBondContact O-N 3.19Å; E17-Q20 PolarHBondContact O-N 3.46Å; D18-Q20 VanDerWaalsContact C-N 3.3Å; D18-Q20 PolarHBondContact O-N 3.28Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 3.16Å; Q20-A23 PolarHBondContact O-N 2.97Å; Q20-I24 WeakPolarHBondContact O-CG1 3.42Å; Q20-I24 PolarHBondContact O-N 3.47Å; Q20-I76 HydrophobicContact CB-CD1 3.88Å; Q20-I76 HydrophobicContact CG-CD1 3.87Å
21R97.6Very high97.6Very high147 Ų14755.2 Ų55.256%0.55529%0.29SS*.Hα-helixtrans-60-44.5175.8-79.1-174.1-78157.6-12.8111.4E17 D18 A23 I24 D25E17-R21 WeakPolarHBondContact O-CG 3.48Å; E17-R21 PolarHBondContact O-N 3.1Å; D18-R21 PolarHBondContact O-N 2.86Å; D18-R21 IonicContact OD1-CZ 3.38Å; D18-R21 IonicContact OD1-NE 3.99Å; D18-R21 IonicContact OD1-NH2 2.58Å; D18-R21 PolarHBondContact OD1-NH2 2.9Å; R21-A23 VanDerWaalsContact C-N 3.34Å; R21-A23 PolarHBondContact O-N 2.78Å; R21-I24 PolarHBondContact O-N 2.98Å; R21-D25 WeakPolarHBondContact O-CB 3.33Å; R21-D25 PolarHBondContact O-N 2.8Å
22E98.2Very high97.6Very high57 Ų5759.5 Ų59.527%0.26630%0.3SS..Hα-helixtrans-64.8-36.7177.5-68-172.8-174.900113.2D18 M19 Q20 I24 D25 C26 K51 Y52D18-E22 WeakPolarHBondContact O-CG 3.36Å; D18-E22 PolarHBondContact O-N 3.35Å; M19-E22 PolarHBondContact O-N 2.86Å; Q20-E22 VanDerWaalsContact C-N 3.32Å; Q20-E22 PolarHBondContact O-N 3.16Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-D25 PolarHBondContact O-N 2.9Å; E22-C26 WeakPolarHBondContact O-CB 3.49Å; E22-C26 PolarHBondContact O-N 3.08Å; E22-K51 IonicContact OE1-NZ 2.75Å; E22-K51 PolarHBondContact OE1-NZ 3.32Å; E22-K51 VanDerWaalsContact OE2-CD 3.31Å; E22-K51 WeakPolarHBondContact OE2-CD 3.35Å; E22-K51 WeakPolarHBondContact OE2-CE 3.46Å; E22-K51 IonicContact OE2-NZ 2.58Å; E22-K51 PolarHBondContact OE2-NZ 3.15Å; E22-Y52 PolarHBondContact OE2-OH 3.37Å
23A98.5Very high97.7Very high0 Ų060.3 Ų60.30%030%0.299CS..Hα-helixtrans-63.1-43.1174.500000111.2M19 Q20 R21 A27 F48 I76 F78 L87M19-A23 WeakPolarHBondContact O-CB 3.24Å; M19-A23 PolarHBondContact O-N 3.28Å; Q20-A23 PolarHBondContact O-N 2.97Å; R21-A23 VanDerWaalsContact C-N 3.34Å; R21-A23 PolarHBondContact O-N 2.78Å; A23-A27 WeakPolarHBondContact O-CB 3.45Å; A23-A27 PolarHBondContact O-N 3.44Å; A23-F48 VanDerWaalsContact CA-CZ 3.41Å; A23-F48 HydrophobicContact CB-CE1 4.3Å; A23-F48 HydrophobicContact CB-CE2 4.2Å; A23-F48 HydrophobicContact CB-CZ 3.57Å; A23-I76 HydrophobicContact CB-CD1 4.33Å; A23-I76 HydrophobicContact CB-CG2 4.05Å; A23-F78 HydrophobicContact CB-CE1 4.37Å; A23-L87 HydrophobicContact CB-CD2 3.96Å
24I98Very high97.7Very high30 Ų3062.9 Ų62.915%0.15430%0.302CS..Hα-helixtrans-64.8-47.7176.6-69.4162.7000110.7A8 I10 Q20 R21 E22 C26 A27 V28 F78 M80A8-I24 HydrophobicContact CB-CB 4.39Å; A8-I24 HydrophobicContact CB-CD1 3.61Å; A8-I24 HydrophobicContact CB-CG1 3.73Å; A8-I24 HydrophobicContact CB-CG2 3.74Å; I10-I24 HydrophobicContact CD1-CD1 3.96Å; I10-I24 HydrophobicContact CG1-CD1 4.17Å; Q20-I24 WeakPolarHBondContact O-CG1 3.42Å; Q20-I24 PolarHBondContact O-N 3.47Å; R21-I24 PolarHBondContact O-N 2.98Å; E22-I24 VanDerWaalsContact C-N 3.34Å; I24-C26 VanDerWaalsContact C-N 3.34Å; I24-C26 PolarHBondContact O-N 2.87Å; I24-A27 PolarHBondContact O-N 3.07Å; I24-V28 HydrophobicContact CG2-CG2 4.45Å; I24-V28 WeakPolarHBondContact O-CG2 3.49Å; I24-V28 PolarHBondContact O-N 3.24Å; I24-F78 HydrophobicContact CG1-CD2 4.13Å; I24-F78 HydrophobicContact CG1-CE2 3.99Å; I24-F78 HydrophobicContact CG1-CZ 4.24Å; I24-M80 HydrophobicContact CG2-CE 4.41Å; I24-M80 HydrophobicContact CG2-SD 4.49Å
25D97.5Very high97.6Very high107 Ų10768.6 Ų68.657%0.57232%0.324SS*.Hα-helixtrans-62.7-41.9179.9-75-20.8000111.6R21 E22 A27 V28 E29R21-D25 WeakPolarHBondContact O-CB 3.33Å; R21-D25 PolarHBondContact O-N 2.8Å; E22-D25 PolarHBondContact O-N 2.9Å; D25-A27 PolarHBondContact O-N 3.31Å; D25-V28 WeakPolarHBondContact O-CB 3.4Å; D25-V28 PolarHBondContact O-N 2.58Å; D25-E29 PolarHBondContact O-N 3.22Å
26C98.4Very high97.5Very high13 Ų1372.7 Ų72.79%0.08835%0.345CS..Hα-helixtrans-61.5-43.5174.3-171.50000111.3E22 I24 E29 A30 F48E22-C26 WeakPolarHBondContact O-CB 3.49Å; E22-C26 PolarHBondContact O-N 3.08Å; I24-C26 VanDerWaalsContact C-N 3.34Å; I24-C26 PolarHBondContact O-N 2.87Å; C26-E29 PolarHBondContact O-N 3.45Å; C26-A30 WeakPolarHBondContact O-CB 3.45Å; C26-A30 PolarHBondContact O-N 3.38Å; C26-F48 HydrophobicContact CB-CE2 4.05Å
27A98Very high97.5Very high0 Ų073 Ų730%034%0.339CS..Hα-helixtrans-65.9-38.4175.600000112.8A23 I24 D25 E29 A30 L31 I44 F78 V85A23-A27 WeakPolarHBondContact O-CB 3.45Å; A23-A27 PolarHBondContact O-N 3.44Å; I24-A27 PolarHBondContact O-N 3.07Å; D25-A27 PolarHBondContact O-N 3.31Å; A27-E29 VanDerWaalsContact C-N 3.31Å; A27-E29 PolarHBondContact O-N 2.9Å; A27-A30 PolarHBondContact O-N 3.07Å; A27-L31 WeakPolarHBondContact O-CB 3.43Å; A27-L31 WeakPolarHBondContact O-CD1 3.48Å; A27-L31 VanDerWaalsContact O-CG 3.24Å; A27-L31 WeakPolarHBondContact O-CG 3.42Å; A27-L31 PolarHBondContact O-N 2.96Å; A27-I44 HydrophobicContact CB-CD1 3.82Å; A27-F78 HydrophobicContact CB-CE2 3.91Å; A27-F78 HydrophobicContact CB-CZ 3.64Å; A27-V85 HydrophobicContact CB-CG2 4.42Å
28V96.7Very high97.6Very high40 Ų4073.3 Ų73.324%0.24234%0.338CS..Hα-helixtrans-58.2-46.1172.5169.10000110.3I24 D25 K32 M80I24-V28 HydrophobicContact CG2-CG2 4.45Å; I24-V28 WeakPolarHBondContact O-CG2 3.49Å; I24-V28 PolarHBondContact O-N 3.24Å; D25-V28 WeakPolarHBondContact O-CB 3.4Å; D25-V28 PolarHBondContact O-N 2.58Å; V28-K32 HydrophobicContact CG1-CD 4.24Å; V28-K32 VanDerWaalsContact O-CG 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.41Å; V28-K32 PolarHBondContact O-N 3.01Å; V28-K32 VanDerWaalsContact O-N 3.17Å; V28-M80 HydrophobicContact CB-CE 4.35Å; V28-M80 HydrophobicContact CG2-CE 3.2Å
29E97.1Very high97.6Very high84 Ų8471.4 Ų71.439%0.39333%0.328SS..Hα-helixtrans-65-45.1178.6-170.9179-18000111.6D25 C26 A27 L31 K32 K33 F43D25-E29 PolarHBondContact O-N 3.22Å; C26-E29 PolarHBondContact O-N 3.45Å; A27-E29 VanDerWaalsContact C-N 3.31Å; A27-E29 PolarHBondContact O-N 2.9Å; E29-L31 PolarHBondContact O-N 3Å; E29-K32 WeakPolarHBondContact O-CB 3.5Å; E29-K32 PolarHBondContact O-N 3.47Å; E29-K32 VanDerWaalsContact O-N 3.15Å; E29-K33 HydrophobicContact CG-CD 4.29Å; E29-K33 PolarHBondContact O-N 2.87Å; E29-K33 VanDerWaalsContact O-N 3.08Å; E29-K33 WeakPolarHBondContact OE1-CE 3.36Å; E29-K33 IonicContact OE1-NZ 2.6Å; E29-K33 PolarHBondContact OE1-NZ 3.4Å; E29-F43 HydrophobicContact CB-CE1 4.38Å; E29-F43 HydrophobicContact CG-CE1 4.37Å; E29-F43 HydrophobicContact CG-CZ 4.2Å
30A97.9Very high97.6Very high0 Ų070.9 Ų70.90%033%0.326CS..Hα-helixtrans-58.6-46.6177.400000111.8C26 A27 K32 K33 Y34 I40 F43 I44C26-A30 WeakPolarHBondContact O-CB 3.45Å; C26-A30 PolarHBondContact O-N 3.38Å; A27-A30 PolarHBondContact O-N 3.07Å; A30-K32 VanDerWaalsContact C-N 3.25Å; A30-K32 PolarHBondContact O-N 3.38Å; A30-K33 PolarHBondContact O-N 3.25Å; A30-K33 VanDerWaalsContact O-N 3.16Å; A30-Y34 WeakPolarHBondContact O-CD2 3.49Å; A30-Y34 PolarHBondContact O-N 3.45Å; A30-I40 HydrophobicContact CB-CB 4.44Å; A30-I40 HydrophobicContact CB-CG2 3.7Å; A30-F43 HydrophobicContact CB-CB 4.31Å; A30-F43 HydrophobicContact CB-CD1 3.55Å; A30-F43 HydrophobicContact CB-CE1 4.22Å; A30-F43 HydrophobicContact CB-CG 4.2Å; A30-I44 HydrophobicContact CB-CD1 4.22Å; A30-I44 HydrophobicContact CB-CG1 3.86Å
31L96.1Very high97.6Very high47 Ų4769.7 Ų69.725%0.24632%0.322CS..Hα-helixtrans-66-24.3178.4-74.3164.9000113.4A27 E29 I40 M80A27-L31 WeakPolarHBondContact O-CB 3.43Å; A27-L31 WeakPolarHBondContact O-CD1 3.48Å; A27-L31 VanDerWaalsContact O-CG 3.24Å; A27-L31 WeakPolarHBondContact O-CG 3.42Å; A27-L31 PolarHBondContact O-N 2.96Å; E29-L31 PolarHBondContact O-N 3Å; L31-I40 HydrophobicContact CD2-CD1 3.71Å; L31-I40 HydrophobicContact CD2-CG2 4.36Å; L31-I40 HydrophobicContact CG-CG2 4.36Å; L31-M80 HydrophobicContact CD1-CB 3.78Å; L31-M80 HydrophobicContact CD1-CE 4.47Å; L31-M80 HydrophobicContact CD1-CG 4.11Å
32K96.1Very high97.7Very high158 Ų15865.3 Ų65.369%0.68732%0.317SS*.Hα-helixtrans-75.8-40.6172.1-73.3168.3-177.4171.90111.6V28 E29 A30V28-K32 HydrophobicContact CG1-CD 4.24Å; V28-K32 VanDerWaalsContact O-CG 3.3Å; V28-K32 WeakPolarHBondContact O-CG 3.41Å; V28-K32 PolarHBondContact O-N 3.01Å; V28-K32 VanDerWaalsContact O-N 3.17Å; E29-K32 WeakPolarHBondContact O-CB 3.5Å; E29-K32 PolarHBondContact O-N 3.47Å; E29-K32 VanDerWaalsContact O-N 3.15Å; A30-K32 VanDerWaalsContact C-N 3.25Å; A30-K32 PolarHBondContact O-N 3.38Å
33K97.6Very high97.7Very high114 Ų11463.6 Ų63.650%0.49631%0.309SS..Hα-helixtrans-81.5-36.2-175-70.8-178.9-176.7174.10113.6E29 A30 F43E29-K33 HydrophobicContact CG-CD 4.29Å; E29-K33 PolarHBondContact O-N 2.87Å; E29-K33 VanDerWaalsContact O-N 3.08Å; E29-K33 WeakPolarHBondContact OE1-CE 3.36Å; E29-K33 IonicContact OE1-NZ 2.6Å; E29-K33 PolarHBondContact OE1-NZ 3.4Å; A30-K33 PolarHBondContact O-N 3.25Å; A30-K33 VanDerWaalsContact O-N 3.16Å; K33-F43 HydrophobicContact CD-CE2 4.25Å
34Y97.7Very high97.7Very high87 Ų8763.7 Ų63.734%0.34131%0.309SS..  trans-122151-169.6-55.2-74.5000111.8A30 D39 F43A30-Y34 WeakPolarHBondContact O-CD2 3.49Å; A30-Y34 PolarHBondContact O-N 3.45Å; Y34-D39 HydrophobicContact CD1-CB 3.86Å; Y34-D39 HydrophobicContact CG-CB 4.03Å; Y34-F43 HydrophobicContact CD2-CB 4.13Å; Y34-F43 HydrophobicContact CD2-CG 4.42Å; Y34-F43 HydrophobicContact CE2-CB 3.66Å; Y34-F43 AromaticContact CE2-CD2 3.56Å; Y34-F43 HydrophobicContact CE2-CD2 3.56Å; Y34-F43 HydrophobicContact CE2-CE2 4.4Å; Y34-F43 AromaticContact CE2-CG 3.72Å; Y34-F43 HydrophobicContact CE2-CG 3.72Å
35K95.1Very high97.8Very high181 Ų18165.5 Ų65.579%0.78732%0.316SS*.SBendtrans-109.3-23.4175.8-60.4-57.2-178.9-165.80113.3
36I97.5Very high97.8Very high103 Ų10367.4 Ų67.453%0.52832%0.319SS..SBendtrans-91.5127.5-178-59176.6000108.4K38 D39 I40I36-K38 HydrophobicContact CG2-CB 4.07Å; I36-K38 PolarHBondContact O-N 2.99Å; I36-D39 HydrophobicContact CB-CB 4.41Å; I36-D39 PolarHBondContact O-N 2.8Å; I36-I40 WeakPolarHBondContact O-CG1 3.19Å; I36-I40 PolarHBondContact O-N 3.45Å; I36-I40 VanDerWaalsContact O-N 3.07Å
37E98Very high97.9Very high71 Ų7169.8 Ų69.833%0.33233%0.329SS..Hα-helixtrans-53.9-41.6-177.4-66.4174.2157.800112.3D39 I40 A41 V60 G61 R62E37-D39 VanDerWaalsContact C-N 3.32Å; E37-D39 PolarHBondContact O-N 3.02Å; E37-I40 WeakPolarHBondContact O-CB 3.37Å; E37-I40 PolarHBondContact O-N 3.27Å; E37-A41 WeakPolarHBondContact O-CB 3.44Å; E37-A41 PolarHBondContact O-N 2.9Å; E37-V60 HydrophobicContact CB-CB 4.33Å; E37-V60 HydrophobicContact CB-CG1 4.16Å; E37-V60 HydrophobicContact CG-CG1 4.26Å; E37-G61 WeakPolarHBondContact OE1-CA 3.49Å; E37-R62 PolarHBondContact OE1-N 3.04Å
38K98.2Very high97.9Very high154 Ų15470.1 Ų70.167%0.6733%0.33SS*.Hα-helixtrans-56.7-43.4175-170.6-162.868.31640112.6I36 A41 A42I36-K38 HydrophobicContact CG2-CB 4.07Å; I36-K38 PolarHBondContact O-N 2.99Å; K38-A41 PolarHBondContact O-N 2.89Å; K38-A42 WeakPolarHBondContact O-CB 3.16Å; K38-A42 PolarHBondContact O-N 2.6Å
39D98.6Very high98Very high53 Ų5369.4 Ų69.428%0.28333%0.326SS..Hα-helixtrans-75.1-34.4-176.6-60.3-21.2000111Y34 I36 E37 A42 F43Y34-D39 HydrophobicContact CD1-CB 3.86Å; Y34-D39 HydrophobicContact CG-CB 4.03Å; I36-D39 HydrophobicContact CB-CB 4.41Å; I36-D39 PolarHBondContact O-N 2.8Å; E37-D39 VanDerWaalsContact C-N 3.32Å; E37-D39 PolarHBondContact O-N 3.02Å; D39-A42 PolarHBondContact O-N 2.86Å; D39-F43 WeakPolarHBondContact O-CB 3.49Å; D39-F43 PolarHBondContact O-N 3.36Å
40I98.6Very high98.1Very high7 Ų773.2 Ų73.24%0.03634%0.341CS..Hα-helixtrans-60.5-51.2171.1-62.4161.3000109.7A30 L31 I36 E37 A42 F43 I44 V60A30-I40 HydrophobicContact CB-CB 4.44Å; A30-I40 HydrophobicContact CB-CG2 3.7Å; L31-I40 HydrophobicContact CD2-CD1 3.71Å; L31-I40 HydrophobicContact CD2-CG2 4.36Å; L31-I40 HydrophobicContact CG-CG2 4.36Å; I36-I40 WeakPolarHBondContact O-CG1 3.19Å; I36-I40 PolarHBondContact O-N 3.45Å; I36-I40 VanDerWaalsContact O-N 3.07Å; E37-I40 WeakPolarHBondContact O-CB 3.37Å; E37-I40 PolarHBondContact O-N 3.27Å; I40-A42 PolarHBondContact O-N 2.91Å; I40-F43 PolarHBondContact O-N 2.96Å; I40-I44 HydrophobicContact CG2-CD1 3.97Å; I40-I44 WeakPolarHBondContact O-CG1 3.46Å; I40-I44 PolarHBondContact O-N 3.45Å; I40-I44 VanDerWaalsContact O-N 3.1Å; I40-V60 HydrophobicContact CB-CG1 4.42Å; I40-V60 HydrophobicContact CB-CG2 4.46Å; I40-V60 HydrophobicContact CG2-CG1 4.14Å; I40-V60 HydrophobicContact CG2-CG2 3.99Å
41A98.8Very high98.1Very high11 Ų1179 Ų799%0.09137%0.366CS..Hα-helixtrans-60.2-44.4179.100000111.9E37 K38 F43 I44 K45 C58 V60E37-A41 WeakPolarHBondContact O-CB 3.44Å; E37-A41 PolarHBondContact O-N 2.9Å; K38-A41 PolarHBondContact O-N 2.89Å; A41-F43 VanDerWaalsContact C-N 3.33Å; A41-F43 PolarHBondContact O-N 3.49Å; A41-I44 PolarHBondContact O-N 2.94Å; A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.38Å; A41-K45 PolarHBondContact O-N 2.88Å; A41-C58 HydrophobicContact CB-CB 4.19Å; A41-C58 WeakPolarHBondContact O-CB 3.09Å; A41-V60 HydrophobicContact CB-CB 4.17Å; A41-V60 HydrophobicContact CB-CG2 3.72Å
42A98.8Very high98.2Very high54 Ų5479 Ų7945%0.44636%0.363SS..Hα-helixtrans-62.4-38.8178.400000112.4K38 D39 I40 K46K38-A42 WeakPolarHBondContact O-CB 3.16Å; K38-A42 PolarHBondContact O-N 2.6Å; D39-A42 PolarHBondContact O-N 2.86Å; I40-A42 PolarHBondContact O-N 2.91Å; A42-K46 VanDerWaalsContact O-CB 3.27Å; A42-K46 WeakPolarHBondContact O-CB 3.38Å; A42-K46 PolarHBondContact O-N 3.43Å
43F98.9Very high98.2Very high22 Ų2276.9 Ų76.910%0.09636%0.359CS..Hα-helixtrans-63.1-51.3175.2179.1-88.8000111.5E29 A30 K33 Y34 D39 I40 A41 K45 K46 E47E29-F43 HydrophobicContact CB-CE1 4.38Å; E29-F43 HydrophobicContact CG-CE1 4.37Å; E29-F43 HydrophobicContact CG-CZ 4.2Å; A30-F43 HydrophobicContact CB-CB 4.31Å; A30-F43 HydrophobicContact CB-CD1 3.55Å; A30-F43 HydrophobicContact CB-CE1 4.22Å; A30-F43 HydrophobicContact CB-CG 4.2Å; K33-F43 HydrophobicContact CD-CE2 4.25Å; Y34-F43 HydrophobicContact CD2-CB 4.13Å; Y34-F43 HydrophobicContact CD2-CG 4.42Å; Y34-F43 HydrophobicContact CE2-CB 3.66Å; Y34-F43 AromaticContact CE2-CD2 3.56Å; Y34-F43 HydrophobicContact CE2-CD2 3.56Å; Y34-F43 HydrophobicContact CE2-CE2 4.4Å; Y34-F43 AromaticContact CE2-CG 3.72Å; Y34-F43 HydrophobicContact CE2-CG 3.72Å; D39-F43 WeakPolarHBondContact O-CB 3.49Å; D39-F43 PolarHBondContact O-N 3.36Å; I40-F43 PolarHBondContact O-N 2.96Å; A41-F43 VanDerWaalsContact C-N 3.33Å; A41-F43 PolarHBondContact O-N 3.49Å; F43-K45 PolarHBondContact O-N 3.1Å; F43-K46 PolarHBondContact O-N 2.81Å; F43-E47 HydrophobicContact CD1-CG 4.38Å; F43-E47 HydrophobicContact CE1-CG 3.98Å; F43-E47 HydrophobicContact CE2-CG 4.33Å; F43-E47 HydrophobicContact CZ-CG 3.94Å; F43-E47 PolarHBondContact O-N 3.47Å
44I98.9Very high98.3Very high1 Ų175.1 Ų75.11%0.00536%0.359CS..Hα-helixtrans-60.6-48.7-178.2-62.2165.3000110.3A27 A30 I40 A41 K46 E47 F48 V60 V85 L87A27-I44 HydrophobicContact CB-CD1 3.82Å; A30-I44 HydrophobicContact CB-CD1 4.22Å; A30-I44 HydrophobicContact CB-CG1 3.86Å; I40-I44 HydrophobicContact CG2-CD1 3.97Å; I40-I44 WeakPolarHBondContact O-CG1 3.46Å; I40-I44 PolarHBondContact O-N 3.45Å; I40-I44 VanDerWaalsContact O-N 3.1Å; A41-I44 PolarHBondContact O-N 2.94Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 3.49Å; I44-E47 PolarHBondContact O-N 3.27Å; I44-F48 HydrophobicContact CG2-CD2 4.26Å; I44-F48 WeakPolarHBondContact O-CB 3.39Å; I44-F48 PolarHBondContact O-N 3.31Å; I44-V60 HydrophobicContact CD1-CG2 4.35Å; I44-V85 HydrophobicContact CD1-CG1 4.05Å; I44-L87 HydrophobicContact CG2-CD1 3.98Å; I44-L87 HydrophobicContact CG2-CD2 3.82Å; I44-L87 HydrophobicContact CG2-CG 4.44Å
45K98.8Very high98.3Very high69 Ų6973.6 Ų73.630%0.336%0.359SS..Hα-helixtrans-52.1-50.7175.4-174.9-149.6-176.1-690111.5A41 F43 E47 F48 D49 W56 C58A41-K45 VanDerWaalsContact O-CB 3.31Å; A41-K45 WeakPolarHBondContact O-CB 3.38Å; A41-K45 PolarHBondContact O-N 2.88Å; F43-K45 PolarHBondContact O-N 3.1Å; K45-E47 PolarHBondContact O-N 3.01Å; K45-F48 PolarHBondContact O-N 3.03Å; K45-D49 IonicContact NZ-OD1 3.85Å; K45-D49 IonicContact NZ-OD2 2.56Å; K45-D49 PolarHBondContact NZ-OD2 2.58Å; K45-D49 WeakPolarHBondContact O-CB 3.28Å; K45-D49 PolarHBondContact O-N 2.95Å; K45-W56 WeakPolarHBondContact CE-O 3.48Å; K45-W56 HydrophobicContact CG-CB 4.4Å; K45-W56 WeakPolarHBondContact CG-O 3.31Å; K45-W56 PolarHBondContact NZ-O 3Å; K45-C58 HydrophobicContact CB-CB 4.07Å
46K98.8Very high98.4Very high146 Ų14665 Ų6564%0.63532%0.322SS*.Hα-helixtrans-63.4-42.4-176-176.3-178.8179-177.40112.3A42 F43 I44 K50A42-K46 VanDerWaalsContact O-CB 3.27Å; A42-K46 WeakPolarHBondContact O-CB 3.38Å; A42-K46 PolarHBondContact O-N 3.43Å; F43-K46 PolarHBondContact O-N 2.81Å; I44-K46 VanDerWaalsContact C-N 3.32Å; I44-K46 PolarHBondContact O-N 3.49Å; K46-K50 WeakPolarHBondContact O-CB 3.35Å; K46-K50 PolarHBondContact O-N 2.75Å; K46-K50 VanDerWaalsContact O-N 3.08Å
47E98.8Very high98.5Very high64 Ų6463.2 Ų63.230%0.29931%0.311SS..Hα-helixtrans-67.8-38.6177.8-69.6-56.6123.200111.5F43 I44 K45 K50 K51F43-E47 HydrophobicContact CD1-CG 4.38Å; F43-E47 HydrophobicContact CE1-CG 3.98Å; F43-E47 HydrophobicContact CE2-CG 4.33Å; F43-E47 HydrophobicContact CZ-CG 3.94Å; F43-E47 PolarHBondContact O-N 3.47Å; I44-E47 PolarHBondContact O-N 3.27Å; K45-E47 PolarHBondContact O-N 3.01Å; E47-K50 PolarHBondContact O-N 2.93Å; E47-K51 WeakPolarHBondContact O-CB 3Å; E47-K51 PolarHBondContact O-N 2.95Å
48F98.7Very high98.5Very high6 Ų660.9 Ų60.93%0.02630%0.302CS..Hα-helixtrans-69.9-40.1176.6-93.2-109.1000113.2M19 A23 C26 I44 K45 K50 K51 Y52 W56 L87M19-F48 HydrophobicContact CG-CE1 4.06Å; A23-F48 VanDerWaalsContact CA-CZ 3.41Å; A23-F48 HydrophobicContact CB-CE1 4.3Å; A23-F48 HydrophobicContact CB-CE2 4.2Å; A23-F48 HydrophobicContact CB-CZ 3.57Å; C26-F48 HydrophobicContact CB-CE2 4.05Å; I44-F48 HydrophobicContact CG2-CD2 4.26Å; I44-F48 WeakPolarHBondContact O-CB 3.39Å; I44-F48 PolarHBondContact O-N 3.31Å; K45-F48 PolarHBondContact O-N 3.03Å; F48-K50 VanDerWaalsContact C-N 3.28Å; F48-K50 PolarHBondContact O-N 3.24Å; F48-K51 PolarHBondContact O-N 2.81Å; F48-Y52 AromaticContact CD1-CD2 3.59Å; F48-Y52 HydrophobicContact CD1-CD2 3.59Å; F48-Y52 HydrophobicContact CD1-CE2 4Å; F48-Y52 AromaticContact CE1-CD2 3.75Å; F48-Y52 HydrophobicContact CE1-CD2 3.75Å; F48-Y52 AromaticContact CE1-CE2 3.67Å; F48-Y52 HydrophobicContact CE1-CE2 3.67Å; F48-Y52 HydrophobicContact CG-CD2 4.21Å; F48-Y52 HydrophobicContact CZ-CD2 4.45Å; F48-Y52 HydrophobicContact CZ-CE2 4.05Å; F48-Y52 WeakPolarHBondContact O-CA 3.31Å; F48-Y52 WeakPolarHBondContact O-CB 3.36Å; F48-Y52 PolarHBondContact O-N 3.29Å; F48-W56 VanDerWaalsContact C-CD1 3.47Å; F48-W56 HydrophobicContact CB-CB 4.18Å; F48-W56 HydrophobicContact CB-CD2 3.78Å; F48-W56 HydrophobicContact CB-CE3 4.31Å; F48-W56 HydrophobicContact CB-CG 3.7Å; F48-W56 AromaticContact CD1-CD2 3.85Å; F48-W56 HydrophobicContact CD1-CD2 3.85Å; F48-W56 AromaticContact CD1-CE2 3.81Å; F48-W56 AromaticContact CD1-CE3 3.79Å; F48-W56 HydrophobicContact CD1-CE3 3.79Å; F48-W56 AromaticContact CD1-CH2 3.67Å; F48-W56 HydrophobicContact CD1-CH2 3.67Å; F48-W56 AromaticContact CD1-CZ2 3.72Å; F48-W56 HydrophobicContact CD1-CZ2 3.72Å; F48-W56 AromaticContact CD1-CZ3 3.71Å; F48-W56 HydrophobicContact CD1-CZ3 3.71Å; F48-W56 HydrophobicContact CE1-CH2 4.04Å; F48-W56 HydrophobicContact CE1-CZ2 4.39Å; F48-W56 HydrophobicContact CE1-CZ3 4.2Å; F48-W56 HydrophobicContact CG-CD2 4.29Å; F48-W56 HydrophobicContact CG-CE3 4.42Å; F48-W56 PolarHBondContact O-NE1 3.49Å; F48-L87 HydrophobicContact CD1-CD2 3.65Å; F48-L87 HydrophobicContact CD1-CG 4.39Å; F48-L87 HydrophobicContact CD2-CD2 3.92Å; F48-L87 HydrophobicContact CE1-CD2 3.6Å; F48-L87 HydrophobicContact CE2-CD2 3.89Å; F48-L87 HydrophobicContact CG-CD1 4.42Å; F48-L87 HydrophobicContact CG-CD2 3.83Å; F48-L87 HydrophobicContact CZ-CD2 3.75Å
49D98.6Very high98.5Very high26 Ų2656.4 Ų56.414%0.13929%0.285CS..Hα-helixtrans-56.8-44.7170.3-78.9-24.9000111.6K45 N53 P54 W56K45-D49 IonicContact NZ-OD1 3.85Å; K45-D49 IonicContact NZ-OD2 2.56Å; K45-D49 PolarHBondContact NZ-OD2 2.58Å; K45-D49 WeakPolarHBondContact O-CB 3.28Å; K45-D49 PolarHBondContact O-N 2.95Å; D49-N53 CarbonylContact O-C 2.86Å; D49-N53 WeakPolarHBondContact O-CA 3.31Å; D49-N53 PolarHBondContact O-N 2.69Å; D49-N53 VanDerWaalsContact O-N 3.12Å; D49-P54 HydrophobicContact CB-CG 4.18Å; D49-P54 WeakPolarHBondContact O-CD 3.34Å; D49-P54 WeakPolarHBondContact OD1-CA 3.44Å; D49-W56 WeakPolarHBondContact OD1-CB 3.28Å; D49-W56 PolarHBondContact OD1-N 3.31Å
50K98.6Very high98.5Very high164 Ų16454.6 Ų54.671%0.71328%0.276SS*.Hα-helixtrans-66.2-40.4-179.4-178.1-176.5174.1-168.70111.9K46 E47 F48K46-K50 WeakPolarHBondContact O-CB 3.35Å; K46-K50 PolarHBondContact O-N 2.75Å; K46-K50 VanDerWaalsContact O-N 3.08Å; E47-K50 PolarHBondContact O-N 2.93Å; F48-K50 VanDerWaalsContact C-N 3.28Å; F48-K50 PolarHBondContact O-N 3.24Å
51K98.5Very high98.5Very high121 Ų12154.5 Ų54.553%0.52628%0.277SS..Hα-helixtrans-86.7-37.9-173.4-172.1166.4-176175.90113.7E22 E47 F48E22-K51 IonicContact OE1-NZ 2.75Å; E22-K51 PolarHBondContact OE1-NZ 3.32Å; E22-K51 VanDerWaalsContact OE2-CD 3.31Å; E22-K51 WeakPolarHBondContact OE2-CD 3.35Å; E22-K51 WeakPolarHBondContact OE2-CE 3.46Å; E22-K51 IonicContact OE2-NZ 2.58Å; E22-K51 PolarHBondContact OE2-NZ 3.15Å; E47-K51 WeakPolarHBondContact O-CB 3Å; E47-K51 PolarHBondContact O-N 2.95Å; F48-K51 PolarHBondContact O-N 2.81Å
52Y98.1Very high98.4Very high47 Ų4761.9 Ų61.918%0.18430%0.302CS..Hα-helixtrans-119.315.2-169.9-64.1-63.9000113.8M19 E22 F48 W56 K89M19-Y52 HydrophobicContact CE-CD1 3.74Å; M19-Y52 HydrophobicContact CE-CD2 4.46Å; M19-Y52 HydrophobicContact CE-CE1 3.59Å; M19-Y52 HydrophobicContact CE-CE2 4.31Å; M19-Y52 HydrophobicContact CE-CG 4.15Å; M19-Y52 HydrophobicContact CG-CE2 3.93Å; E22-Y52 PolarHBondContact OE2-OH 3.37Å; F48-Y52 AromaticContact CD1-CD2 3.59Å; F48-Y52 HydrophobicContact CD1-CD2 3.59Å; F48-Y52 HydrophobicContact CD1-CE2 4Å; F48-Y52 AromaticContact CE1-CD2 3.75Å; F48-Y52 HydrophobicContact CE1-CD2 3.75Å; F48-Y52 AromaticContact CE1-CE2 3.67Å; F48-Y52 HydrophobicContact CE1-CE2 3.67Å; F48-Y52 HydrophobicContact CG-CD2 4.21Å; F48-Y52 HydrophobicContact CZ-CD2 4.45Å; F48-Y52 HydrophobicContact CZ-CE2 4.05Å; F48-Y52 WeakPolarHBondContact O-CA 3.31Å; F48-Y52 WeakPolarHBondContact O-CB 3.36Å; F48-Y52 PolarHBondContact O-N 3.29Å; Y52-W56 HydrophobicContact CD2-CZ2 4.22Å; Y52-W56 HydrophobicContact CG-CZ2 4.2Å; Y52-K89 PolarHBondContact O-NZ 2.8Å
53N97.6Very high98.2Very high114 Ų11466.9 Ų66.961%0.6132%0.321SS*.  trans64144.7-174.6-51.7-67.2000113.3D49 W56 K89D49-N53 CarbonylContact O-C 2.86Å; D49-N53 WeakPolarHBondContact O-CA 3.31Å; D49-N53 PolarHBondContact O-N 2.69Å; D49-N53 VanDerWaalsContact O-N 3.12Å; N53-W56 VanDerWaalsContact O-CD1 3.26Å; N53-W56 PolarHBondContact O-NE1 3.34Å; N53-W56 VanDerWaalsContact O-NE1 3.13Å; N53-K89 PolarHBondContact O-NZ 2.94Å
54P98Very high98Very high77 Ų7768.3 Ų68.350%0.533%0.328SS..SBendtrans-58.1162.2174-22.333.3000113.6D49 K89D49-P54 HydrophobicContact CB-CG 4.18Å; D49-P54 WeakPolarHBondContact O-CD 3.34Å; D49-P54 WeakPolarHBondContact OD1-CA 3.44Å; P54-K89 WeakPolarHBondContact O-CE 3.16Å; P54-K89 PolarHBondContact O-NZ 2.56Å
55T97.6Very high97.8Very high55 Ų5572 Ų7234%0.33737%0.366SS..  cis-112.4109.22.7-54.70000112K89 S90T55-K89 WeakPolarHBondContact O-CA 3.5Å; T55-K89 WeakPolarHBondContact O-CG 3.09Å; T55-S90 PolarHBondContact O-N 2.79Å
56W98.7Very high97.5Very high0 Ų071.7 Ų71.70%037%0.373CS..EExtended strand (participates in β ladder)trans-84.5150171.5-68.183000111.5M15 M19 K45 F48 D49 Y52 N53 H74 L87 F88 K89M15-W56 HydrophobicContact CE-CH2 3.99Å; M15-W56 HydrophobicContact CE-CZ3 4.01Å; M19-W56 HydrophobicContact SD-CH2 3.8Å; M19-W56 HydrophobicContact SD-CZ2 4.29Å; K45-W56 WeakPolarHBondContact CE-O 3.48Å; K45-W56 HydrophobicContact CG-CB 4.4Å; K45-W56 WeakPolarHBondContact CG-O 3.31Å; K45-W56 PolarHBondContact NZ-O 3Å; F48-W56 VanDerWaalsContact C-CD1 3.47Å; F48-W56 HydrophobicContact CB-CB 4.18Å; F48-W56 HydrophobicContact CB-CD2 3.78Å; F48-W56 HydrophobicContact CB-CE3 4.31Å; F48-W56 HydrophobicContact CB-CG 3.7Å; F48-W56 AromaticContact CD1-CD2 3.85Å; F48-W56 HydrophobicContact CD1-CD2 3.85Å; F48-W56 AromaticContact CD1-CE2 3.81Å; F48-W56 AromaticContact CD1-CE3 3.79Å; F48-W56 HydrophobicContact CD1-CE3 3.79Å; F48-W56 AromaticContact CD1-CH2 3.67Å; F48-W56 HydrophobicContact CD1-CH2 3.67Å; F48-W56 AromaticContact CD1-CZ2 3.72Å; F48-W56 HydrophobicContact CD1-CZ2 3.72Å; F48-W56 AromaticContact CD1-CZ3 3.71Å; F48-W56 HydrophobicContact CD1-CZ3 3.71Å; F48-W56 HydrophobicContact CE1-CH2 4.04Å; F48-W56 HydrophobicContact CE1-CZ2 4.39Å; F48-W56 HydrophobicContact CE1-CZ3 4.2Å; F48-W56 HydrophobicContact CG-CD2 4.29Å; F48-W56 HydrophobicContact CG-CE3 4.42Å; F48-W56 PolarHBondContact O-NE1 3.49Å; D49-W56 WeakPolarHBondContact OD1-CB 3.28Å; D49-W56 PolarHBondContact OD1-N 3.31Å; Y52-W56 HydrophobicContact CD2-CZ2 4.22Å; Y52-W56 HydrophobicContact CG-CZ2 4.2Å; N53-W56 VanDerWaalsContact O-CD1 3.26Å; N53-W56 PolarHBondContact O-NE1 3.34Å; N53-W56 VanDerWaalsContact O-NE1 3.13Å; W56-H74 HydrophobicContact CH2-CB 3.87Å; W56-H74 AromaticContact CH2-CD2 3.88Å; W56-H74 HydrophobicContact CZ2-CB 4.37Å; W56-H74 AromaticContact CZ2-CD2 3.7Å; W56-H74 HydrophobicContact CZ3-CB 4.3Å; W56-L87 HydrophobicContact CE3-CD1 3.75Å; W56-L87 HydrophobicContact CE3-CD2 4.45Å; W56-L87 HydrophobicContact CE3-CG 3.79Å; W56-L87 HydrophobicContact CZ3-CD1 4.43Å; W56-L87 HydrophobicContact CZ3-CD2 4.41Å; W56-L87 HydrophobicContact CZ3-CG 3.96Å; W56-F88 WeakPolarHBondContact CA-O 3.45Å; W56-K89 HydrophobicContact CD2-CB 4.13Å; W56-K89 HydrophobicContact CD2-CG 4.44Å; W56-K89 HydrophobicContact CE3-CB 4.2Å; W56-K89 HydrophobicContact CZ2-CB 4.48Å; W56-K89 HydrophobicContact CZ2-CD 4.46Å; W56-K89 HydrophobicContact CZ3-CB 4.4Å
57H98.6Very high97.2Very high66 Ų6672.8 Ų72.831%0.30639%0.385SS..EExtended strand (participates in β ladder)trans-128.2138.7175-59.2-85.9000108L87 F88 S90H57-L87 WeakPolarHBondContact O-CA 3.48Å; H57-L87 WeakPolarHBondContact O-CD1 3.15Å; H57-F88 HydrophobicContact CB-CD1 4.05Å; H57-F88 HydrophobicContact CB-CD2 4.32Å; H57-F88 HydrophobicContact CB-CE1 3.44Å; H57-F88 VanDerWaalsContact CB-CE1 3.44Å; H57-F88 HydrophobicContact CB-CE2 3.77Å; H57-F88 HydrophobicContact CB-CG 4.44Å; H57-F88 HydrophobicContact CB-CZ 3.26Å; H57-F88 AromaticContact CD2-CE2 3.68Å; H57-F88 AromaticContact CG-CE2 3.87Å; H57-F88 AromaticContact CG-CZ 3.71Å; H57-F88 PolarHBondContact N-O 3.01Å; H57-F88 PolarHBondContact O-N 3.2Å; H57-S90 PolarHBondContact NE2-O 2.97Å
58C98.7Very high96.9Very high22 Ų2272.7 Ų72.715%0.14939%0.385CS..EExtended strand (participates in β ladder)trans-133.9133.8179.1-167.70000109.7A41 K45 L86 L87A41-C58 HydrophobicContact CB-CB 4.19Å; A41-C58 WeakPolarHBondContact O-CB 3.09Å; K45-C58 HydrophobicContact CB-CB 4.07Å; C58-L86 CarbonylContact C-O 3.59Å; C58-L86 VanDerWaalsContact CA-O 3.31Å; C58-L86 WeakPolarHBondContact CA-O 3.28Å; C58-L87 HydrophobicContact CB-CD1 4.03Å
59I98.5Very high96.6Very high60 Ų6078.1 Ų78.131%0.30842%0.42SS..EExtended strand (participates in β ladder)trans-120.4134.1171.1-61.7168.1000107.2F64 M68 V85 L86I59-F64 HydrophobicContact CB-CZ 4.47Å; I59-F64 HydrophobicContact CG2-CD1 4.16Å; I59-F64 HydrophobicContact CG2-CD2 4.1Å; I59-F64 HydrophobicContact CG2-CE1 3.96Å; I59-F64 HydrophobicContact CG2-CE2 3.92Å; I59-F64 HydrophobicContact CG2-CG 4.22Å; I59-F64 HydrophobicContact CG2-CZ 3.84Å; I59-M68 HydrophobicContact CD1-CE 4.12Å; I59-V85 WeakPolarHBondContact O-CA 3.45Å; I59-L86 HydrophobicContact CB-CB 4.25Å; I59-L86 HydrophobicContact CD1-CD2 4.16Å; I59-L86 PolarHBondContact N-O 3.12Å; I59-L86 PolarHBondContact O-N 3.08Å
60V98.5Very high96.4Very high14 Ų1480.2 Ų80.29%0.08543%0.428CS..EExtended strand (participates in β ladder)trans-129.9131.6175.6178.30000107.1E37 I40 A41 I44 V83 A84 V85E37-V60 HydrophobicContact CB-CB 4.33Å; E37-V60 HydrophobicContact CB-CG1 4.16Å; E37-V60 HydrophobicContact CG-CG1 4.26Å; I40-V60 HydrophobicContact CB-CG1 4.42Å; I40-V60 HydrophobicContact CB-CG2 4.46Å; I40-V60 HydrophobicContact CG2-CG1 4.14Å; I40-V60 HydrophobicContact CG2-CG2 3.99Å; A41-V60 HydrophobicContact CB-CB 4.17Å; A41-V60 HydrophobicContact CB-CG2 3.72Å; I44-V60 HydrophobicContact CD1-CG2 4.35Å; V60-V83 HydrophobicContact CG1-CG1 3.44Å; V60-V83 VanDerWaalsContact CG1-CG1 3.44Å; V60-A84 WeakPolarHBondContact CA-O 3.27Å; V60-V85 HydrophobicContact CG2-CG1 4.38Å; V60-V85 HydrophobicContact CG2-CG2 4.31Å
61G97.8Very high96.2Very high5 Ų575.3 Ų75.35%0.05241%0.408CS..EExtended strand (participates in β ladder)trans-176.8159.8-178.100000113.4E37 A84E37-G61 WeakPolarHBondContact OE1-CA 3.49Å; G61-A84 PolarHBondContact N-O 3.4Å; G61-A84 WeakPolarHBondContact O-CB 3.18Å; G61-A84 PolarHBondContact O-N 2.9Å
62R96.2Very high96Very high167 Ų16777.1 Ų77.163%0.6342%0.418SS*.SBendtrans-86.1-21.5174.6-61.7-175.7-177.4122.22114E37 V83E37-R62 PolarHBondContact OE1-N 3.04Å; R62-V83 HydrophobicContact CG-CG2 4.24Å
63N94.4Very high96Very high159 Ų15981.8 Ų81.885%0.8544%0.44SS*.SBendtrans-153108.2-179.4-173.66.3000110.2
64F96.1Very high96Very high52 Ų5278.6 Ų78.623%0.22842%0.421CS..  trans-155.6154.3171.262.6-90.4000110.4I59 Y77 A84 L86I59-F64 HydrophobicContact CB-CZ 4.47Å; I59-F64 HydrophobicContact CG2-CD1 4.16Å; I59-F64 HydrophobicContact CG2-CD2 4.1Å; I59-F64 HydrophobicContact CG2-CE1 3.96Å; I59-F64 HydrophobicContact CG2-CE2 3.92Å; I59-F64 HydrophobicContact CG2-CG 4.22Å; I59-F64 HydrophobicContact CG2-CZ 3.84Å; F64-Y77 HydrophobicContact CE2-CE2 4.15Å; F64-Y77 AromaticContact CZ-CE2 3.84Å; F64-Y77 HydrophobicContact CZ-CE2 3.84Å; F64-A84 HydrophobicContact CE1-CB 3.72Å; F64-A84 HydrophobicContact CZ-CB 3.97Å; F64-L86 HydrophobicContact CE2-CB 4.05Å; F64-L86 HydrophobicContact CE2-CD2 4Å; F64-L86 HydrophobicContact CZ-CB 3.99Å
65G94Very high96Very high79 Ų7976 Ų7681%0.81440%0.401SS*.  trans-111.6149.816200000109.3
66S93Very high96.1Very high62 Ų6273.3 Ų73.343%0.43439%0.385SS..  trans-138.6138.1179.157.30000110.5L86S66-L86 VanDerWaalsContact OG-CD2 3.28Å; S66-L86 WeakPolarHBondContact OG-CD2 3.37Å
67N92.6Very high96Very high168 Ų16875.4 Ų75.490%0.89839%0.394SS*.  trans-130.2114.6166.2-175.53.1000107.6
68M92.4Very high96Very high62 Ų6272.3 Ų72.331%0.30538%0.379SS..  trans-155.5153.2-174.169.9-147-21.400112.3I59 L86 F88I59-M68 HydrophobicContact CD1-CE 4.12Å; M68-L86 HydrophobicContact SD-CD2 3.67Å; M68-L86 HydrophobicContact SD-CG 4.4Å; M68-F88 HydrophobicContact CE-CD1 4.24Å; M68-F88 HydrophobicContact CE-CE1 3.26Å; M68-F88 HydrophobicContact CE-CE2 3.93Å; M68-F88 HydrophobicContact CE-CZ 3.07Å; M68-F88 HydrophobicContact CG-CD2 4.49Å; M68-F88 HydrophobicContact CG-CE1 4.48Å; M68-F88 HydrophobicContact CG-CE2 4.25Å; M68-F88 HydrophobicContact CG-CZ 4.27Å; M68-F88 HydrophobicContact SD-CD1 3.7Å; M68-F88 HydrophobicContact SD-CD2 4.41Å; M68-F88 HydrophobicContact SD-CE1 3.32Å; M68-F88 WeakPolarHBondContact SD-CE1 3.39Å; M68-F88 HydrophobicContact SD-CE2 4.08Å; M68-F88 HydrophobicContact SD-CG 4.25Å; M68-F88 HydrophobicContact SD-CZ 3.55Å; M68-F88 VanDerWaalsContact SD-CZ 3.55Å
69T93.1Very high95.9Very high121 Ų12175.1 Ų75.174%0.74239%0.387SS*.  trans-92.2143.8170.750.70000109.9
70H92.7Very high95.7Very high70 Ų7072.6 Ų72.632%0.32437%0.374SS..  trans-139.7159.6179.555.6-87.6000110.1F75 F88 K89H70-F75 HydrophobicContact CB-CD2 4.47Å; H70-F75 WeakPolarHBondContact CD2-CB 3.34Å; H70-F75 AromaticContact CD2-CG 3.94Å; H70-F75 AromaticContact CE1-CD2 3.63Å; H70-F75 AromaticContact CE1-CG 3.8Å; H70-F75 AromaticContact CG-CD2 3.81Å; H70-F75 AromaticContact ND1-CD2 3.54Å; H70-F75 WeakPolarHBondContact NE2-CB 3.32Å; H70-F75 AromaticContact NE2-CD2 3.95Å; H70-F75 AromaticContact NE2-CG 3.7Å; H70-F88 HydrophobicContact CB-CB 4.02Å; H70-F88 HydrophobicContact CB-CD2 3.94Å; H70-F88 HydrophobicContact CB-CG 4.39Å; H70-K89 WeakPolarHBondContact CA-O 3.33Å; H70-K89 WeakPolarHBondContact CB-O 3.46Å
71E94.9Very high95.4Very high61 Ų6174.3 Ų74.329%0.28540%0.395SS..  trans-66139.8170.1-69.9167.3-132.500110.6H74 K89 G91E71-H74 PolarHBondContact O-N 2.84Å; E71-K89 HydrophobicContact CB-CB 4.48Å; E71-K89 PolarHBondContact N-O 3.32Å; E71-K89 WeakPolarHBondContact OE1-CG 3.39Å; E71-K89 VanDerWaalsContact OE2-CD 3.28Å; E71-K89 WeakPolarHBondContact OE2-CD 3.21Å; E71-K89 WeakPolarHBondContact OE2-CE 3.17Å; E71-G91 PolarHBondContact OE1-N 3.24Å
72Q94.7Very high95.2Very high159 Ų15979.2 Ų79.274%0.74342%0.42SS*.THydrogen-bonded Turntrans-56145.6176.4-65.3-17717.700110.9H74Q72-H74 PolarHBondContact O-N 3.37Å; Q72-H74 PolarHBondContact O-ND1 3.46Å
73K97.1Very high95.2Very high145 Ų14572 Ų7263%0.6339%0.394SS*.THydrogen-bonded Turntrans6515.6177.8-52.9-179179.5178.50115.3D14 M15D14-K73 VanDerWaalsContact CG-N 3.33Å; D14-K73 CarbonylContact O-C 3.49Å; D14-K73 WeakPolarHBondContact O-CA 3.47Å; D14-K73 PolarHBondContact OD2-N 2.8Å; M15-K73 WeakPolarHBondContact CA-O 3.48Å; M15-K73 VanDerWaalsContact CB-O 3.28Å; M15-K73 WeakPolarHBondContact CB-O 3.47Å
74H98.2Very high95.3Very high46 Ų4664.5 Ų64.521%0.21335%0.354CS..  trans-134.347.1179.9-58.491.7000112.4D14 W56 E71 Q72 F88 K89D14-H74 PolarHBondContact O-N 2.81Å; W56-H74 HydrophobicContact CH2-CB 3.87Å; W56-H74 AromaticContact CH2-CD2 3.88Å; W56-H74 HydrophobicContact CZ2-CB 4.37Å; W56-H74 AromaticContact CZ2-CD2 3.7Å; W56-H74 HydrophobicContact CZ3-CB 4.3Å; E71-H74 PolarHBondContact O-N 2.84Å; Q72-H74 PolarHBondContact O-N 3.37Å; Q72-H74 PolarHBondContact O-ND1 3.46Å; H74-F88 CarbonylContact O-C 3.53Å; H74-F88 WeakPolarHBondContact O-CA 3.45Å; H74-K89 HydrophobicContact CB-CB 3.44Å; H74-K89 VanDerWaalsContact CB-CB 3.44Å; H74-K89 HydrophobicContact CB-CD 4.34Å; H74-K89 PolarHBondContact O-N 3.21Å
75F98.3Very high95.4Very high22 Ų2262 Ų6210%0.09634%0.343CS..EExtended strand (participates in β ladder)trans-138.1135.1178.2172.9-81.6000112.5N12 A13 D14 M15 H70 L86 F88N12-F75 HydrophobicContact CB-CE1 4.08Å; A13-F75 CarbonylContact C-O 3.43Å; A13-F75 WeakPolarHBondContact CA-O 3.35Å; D14-F75 CarbonylContact C-O 3.37Å; D14-F75 HydrophobicContact CB-CB 4.36Å; D14-F75 PolarHBondContact N-O 3.29Å; D14-F75 PolarHBondContact O-N 3.3Å; M15-F75 WeakPolarHBondContact CG-O 3.32Å; H70-F75 HydrophobicContact CB-CD2 4.47Å; H70-F75 WeakPolarHBondContact CD2-CB 3.34Å; H70-F75 AromaticContact CD2-CG 3.94Å; H70-F75 AromaticContact CE1-CD2 3.63Å; H70-F75 AromaticContact CE1-CG 3.8Å; H70-F75 AromaticContact CG-CD2 3.81Å; H70-F75 AromaticContact ND1-CD2 3.54Å; H70-F75 WeakPolarHBondContact NE2-CB 3.32Å; H70-F75 AromaticContact NE2-CD2 3.95Å; H70-F75 AromaticContact NE2-CG 3.7Å; F75-L86 HydrophobicContact CD2-CD1 4.2Å; F75-L86 HydrophobicContact CE2-CD1 3.42Å; F75-L86 VanDerWaalsContact CE2-CD1 3.42Å; F75-L86 HydrophobicContact CZ-CD1 3.72Å; F75-F88 HydrophobicContact CB-CB 4.39Å; F75-F88 HydrophobicContact CD2-CB 3.77Å; F75-F88 HydrophobicContact CG-CB 4.49Å
76I98.6Very high95.6Very high0 Ų058.3 Ų58.30%031%0.305CS..EExtended strand (participates in β ladder)trans-147139.5169.6-167.1-179.2000111.2I10 A13 M15 Q20 A23 F78 L87I10-I76 HydrophobicContact CD1-CD1 4.48Å; I10-I76 HydrophobicContact CG2-CG1 4.42Å; A13-I76 HydrophobicContact CB-CB 4.47Å; A13-I76 HydrophobicContact CB-CG1 4.01Å; M15-I76 HydrophobicContact CE-CB 3.97Å; M15-I76 HydrophobicContact CE-CG2 3.85Å; M15-I76 HydrophobicContact CG-CB 4.36Å; M15-I76 HydrophobicContact SD-CB 3.73Å; M15-I76 HydrophobicContact SD-CD1 4.34Å; M15-I76 HydrophobicContact SD-CG2 3.87Å; Q20-I76 HydrophobicContact CB-CD1 3.88Å; Q20-I76 HydrophobicContact CG-CD1 3.87Å; A23-I76 HydrophobicContact CB-CD1 4.33Å; A23-I76 HydrophobicContact CB-CG2 4.05Å; I76-F78 HydrophobicContact CD1-CD1 3.78Å; I76-F78 HydrophobicContact CD1-CE1 4.22Å; I76-F78 HydrophobicContact CG1-CD1 3.88Å; I76-F78 HydrophobicContact CG2-CD1 4.25Å; I76-F78 HydrophobicContact CG2-CE1 4.19Å; I76-L87 HydrophobicContact CG2-CB 3.87Å; I76-L87 HydrophobicContact CG2-CD2 4.3Å; I76-L87 HydrophobicContact CG2-CG 4.46Å; I76-L87 PolarHBondContact N-O 2.91Å; I76-L87 PolarHBondContact O-N 2.8Å
77Y98.4Very high95.9Very high44 Ų4455.3 Ų55.317%0.17328%0.284CS..EExtended strand (participates in β ladder)trans-129.6117.8172.5-179.3-126.4000110S11 N12 F64 Y79 A84 V85 L86S11-Y77 VanDerWaalsContact CB-CD1 3.5Å; S11-Y77 PolarHBondContact N-O 3.01Å; N12-Y77 PolarHBondContact N-O 3.05Å; N12-Y77 VanDerWaalsContact N-O 3.1Å; N12-Y77 PolarHBondContact O-N 3.46Å; F64-Y77 HydrophobicContact CE2-CE2 4.15Å; F64-Y77 AromaticContact CZ-CE2 3.84Å; F64-Y77 HydrophobicContact CZ-CE2 3.84Å; Y77-Y79 AromaticContact CE1-CE2 3.88Å; Y77-Y79 HydrophobicContact CE1-CE2 3.88Å; Y77-Y79 AromaticContact CZ-CE2 3.82Å; Y77-Y79 AromaticContact CZ-CZ 3.96Å; Y77-Y79 VanDerWaalsContact OH-CZ 3.25Å; Y77-Y79 PolarHBondContact OH-OH 3.32Å; Y77-A84 HydrophobicContact CE2-CB 3.74Å; Y77-V85 WeakPolarHBondContact CA-O 3.48Å; Y77-V85 WeakPolarHBondContact CD2-O 3.36Å; Y77-L86 HydrophobicContact CD2-CB 3.86Å; Y77-L86 HydrophobicContact CD2-CD1 4.3Å; Y77-L86 HydrophobicContact CE2-CB 4.38Å
78F98.1Very high96.2Very high1 Ų147.9 Ų47.90%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-146.2159.3-176.466.4-82.9000112.5A8 L9 I10 A23 I24 A27 I76 M80 V85A8-F78 HydrophobicContact CB-CD2 4.2Å; L9-F78 CarbonylContact O-C 3.5Å; L9-F78 VanDerWaalsContact O-CA 3.23Å; L9-F78 WeakPolarHBondContact O-CA 3.35Å; L9-F78 WeakPolarHBondContact O-CB 3.44Å; I10-F78 HydrophobicContact CB-CB 4.45Å; I10-F78 HydrophobicContact CG1-CB 4.19Å; A23-F78 HydrophobicContact CB-CE1 4.37Å; I24-F78 HydrophobicContact CG1-CD2 4.13Å; I24-F78 HydrophobicContact CG1-CE2 3.99Å; I24-F78 HydrophobicContact CG1-CZ 4.24Å; A27-F78 HydrophobicContact CB-CE2 3.91Å; A27-F78 HydrophobicContact CB-CZ 3.64Å; I76-F78 HydrophobicContact CD1-CD1 3.78Å; I76-F78 HydrophobicContact CD1-CE1 4.22Å; I76-F78 HydrophobicContact CG1-CD1 3.88Å; I76-F78 HydrophobicContact CG2-CD1 4.25Å; I76-F78 HydrophobicContact CG2-CE1 4.19Å; F78-M80 HydrophobicContact CD2-CG 3.89Å; F78-M80 HydrophobicContact CD2-SD 4.26Å; F78-M80 HydrophobicContact CE2-CG 3.63Å; F78-M80 HydrophobicContact CE2-SD 4.12Å; F78-V85 HydrophobicContact CD1-CB 4.19Å; F78-V85 HydrophobicContact CD2-CB 4.41Å; F78-V85 HydrophobicContact CE1-CB 3.77Å; F78-V85 HydrophobicContact CE1-CG1 3.71Å; F78-V85 HydrophobicContact CE2-CB 4.01Å; F78-V85 HydrophobicContact CE2-CG2 4.09Å; F78-V85 HydrophobicContact CZ-CB 3.68Å; F78-V85 HydrophobicContact CZ-CG1 3.72Å; F78-V85 HydrophobicContact CZ-CG2 4.09Å; F78-V85 PolarHBondContact N-O 3.34Å; F78-V85 PolarHBondContact O-N 2.81Å
79Y97.2Very high96.5Very high81 Ų8145.9 Ų45.932%0.31823%0.233SC..EExtended strand (participates in β ladder)trans-107.4138.8175.8-72.6-96.6000111.6A8 L9 S11 Y77 V83 A84A8-Y79 CarbonylContact C-O 3.6Å; A8-Y79 WeakPolarHBondContact CA-O 3.41Å; L9-Y79 PolarHBondContact N-O 2.94Å; L9-Y79 PolarHBondContact O-N 3.36Å; S11-Y79 WeakPolarHBondContact OG-CD2 3.23Å; S11-Y79 WeakPolarHBondContact OG-CE2 3.3Å; Y77-Y79 AromaticContact CE1-CE2 3.88Å; Y77-Y79 HydrophobicContact CE1-CE2 3.88Å; Y77-Y79 AromaticContact CZ-CE2 3.82Å; Y77-Y79 AromaticContact CZ-CZ 3.96Å; Y77-Y79 VanDerWaalsContact OH-CZ 3.25Å; Y77-Y79 PolarHBondContact OH-OH 3.32Å; Y79-V83 CarbonylContact C-O 3.6Å; Y79-V83 WeakPolarHBondContact CA-O 3.5Å; Y79-A84 HydrophobicContact CD1-CB 3.79Å; Y79-A84 HydrophobicContact CE1-CB 3.54Å; Y79-A84 HydrophobicContact CG-CB 4.4Å
80M93.8Very high96.6Very high7 Ų742.2 Ų42.23%0.03421%0.212CC..EExtended strand (participates in β ladder)trans-117.890.7169.4-66.9-65.7-89.400108.5H6 A8 I24 V28 L31 F78 N82 V83H6-M80 HydrophobicContact CB-CE 4.27Å; A8-M80 HydrophobicContact CB-SD 3.54Å; A8-M80 VanDerWaalsContact CB-SD 3.54Å; I24-M80 HydrophobicContact CG2-CE 4.41Å; I24-M80 HydrophobicContact CG2-SD 4.49Å; V28-M80 HydrophobicContact CB-CE 4.35Å; V28-M80 HydrophobicContact CG2-CE 3.2Å; L31-M80 HydrophobicContact CD1-CB 3.78Å; L31-M80 HydrophobicContact CD1-CE 4.47Å; L31-M80 HydrophobicContact CD1-CG 4.11Å; F78-M80 HydrophobicContact CD2-CG 3.89Å; F78-M80 HydrophobicContact CD2-SD 4.26Å; F78-M80 HydrophobicContact CE2-CG 3.63Å; F78-M80 HydrophobicContact CE2-SD 4.12Å; M80-N82 PolarHBondContact O-N 3.13Å; M80-V83 PolarHBondContact N-O 3.34Å; M80-V83 PolarHBondContact O-N 2.79Å
81G91.8Very high96.5Very high50 Ų5044.4 Ų44.452%0.51525%0.254SS..THydrogen-bonded Turntrans67.4-120.4-168.300000110.7
82N93Very high96.6Very high108 Ų10843.6 Ų43.658%0.57825%0.253SS*.THydrogen-bonded Turntrans-97.87.8177.969.8-19.6000114M80M80-N82 PolarHBondContact O-N 3.13Å
83V95.9Very high96.7Very high14 Ų1437.5 Ų37.59%0.08523%0.227CC..EExtended strand (participates in β ladder)trans-105.4125178.7179.70000108.5V60 R62 Y79 M80V60-V83 HydrophobicContact CG1-CG1 3.44Å; V60-V83 VanDerWaalsContact CG1-CG1 3.44Å; R62-V83 HydrophobicContact CG-CG2 4.24Å; Y79-V83 CarbonylContact C-O 3.6Å; Y79-V83 WeakPolarHBondContact CA-O 3.5Å; M80-V83 PolarHBondContact N-O 3.34Å; M80-V83 PolarHBondContact O-N 2.79Å
84A97.8Very high96.7Very high2 Ų231.6 Ų31.62%0.01721%0.205CC..EExtended strand (participates in β ladder)trans-90.1142.4172.100000110.3V60 G61 F64 Y77 Y79V60-A84 WeakPolarHBondContact CA-O 3.27Å; G61-A84 PolarHBondContact N-O 3.4Å; G61-A84 WeakPolarHBondContact O-CB 3.18Å; G61-A84 PolarHBondContact O-N 2.9Å; F64-A84 HydrophobicContact CE1-CB 3.72Å; F64-A84 HydrophobicContact CZ-CB 3.97Å; Y77-A84 HydrophobicContact CE2-CB 3.74Å; Y79-A84 HydrophobicContact CD1-CB 3.79Å; Y79-A84 HydrophobicContact CE1-CB 3.54Å; Y79-A84 HydrophobicContact CG-CB 4.4Å
85V98.4Very high96.6Very high0 Ų030.7 Ų30.70%020%0.204CC..EExtended strand (participates in β ladder)trans-123120.7174.4-177.30000107.5A27 I44 I59 V60 Y77 F78A27-V85 HydrophobicContact CB-CG2 4.42Å; I44-V85 HydrophobicContact CD1-CG1 4.05Å; I59-V85 WeakPolarHBondContact O-CA 3.45Å; V60-V85 HydrophobicContact CG2-CG1 4.38Å; V60-V85 HydrophobicContact CG2-CG2 4.31Å; Y77-V85 WeakPolarHBondContact CA-O 3.48Å; Y77-V85 WeakPolarHBondContact CD2-O 3.36Å; F78-V85 HydrophobicContact CD1-CB 4.19Å; F78-V85 HydrophobicContact CD2-CB 4.41Å; F78-V85 HydrophobicContact CE1-CB 3.77Å; F78-V85 HydrophobicContact CE1-CG1 3.71Å; F78-V85 HydrophobicContact CE2-CB 4.01Å; F78-V85 HydrophobicContact CE2-CG2 4.09Å; F78-V85 HydrophobicContact CZ-CB 3.68Å; F78-V85 HydrophobicContact CZ-CG1 3.72Å; F78-V85 HydrophobicContact CZ-CG2 4.09Å; F78-V85 PolarHBondContact N-O 3.34Å; F78-V85 PolarHBondContact O-N 2.81Å
86L98.6Very high96.5Very high1 Ų131.3 Ų31.31%0.00521%0.211CC..EExtended strand (participates in β ladder)trans-114.2117.6172.617159.2000108.1C58 I59 F64 S66 M68 F75 Y77 F88C58-L86 CarbonylContact C-O 3.59Å; C58-L86 VanDerWaalsContact CA-O 3.31Å; C58-L86 WeakPolarHBondContact CA-O 3.28Å; I59-L86 HydrophobicContact CB-CB 4.25Å; I59-L86 HydrophobicContact CD1-CD2 4.16Å; I59-L86 PolarHBondContact N-O 3.12Å; I59-L86 PolarHBondContact O-N 3.08Å; F64-L86 HydrophobicContact CE2-CB 4.05Å; F64-L86 HydrophobicContact CE2-CD2 4Å; F64-L86 HydrophobicContact CZ-CB 3.99Å; S66-L86 VanDerWaalsContact OG-CD2 3.28Å; S66-L86 WeakPolarHBondContact OG-CD2 3.37Å; M68-L86 HydrophobicContact SD-CD2 3.67Å; M68-L86 HydrophobicContact SD-CG 4.4Å; F75-L86 HydrophobicContact CD2-CD1 4.2Å; F75-L86 HydrophobicContact CE2-CD1 3.42Å; F75-L86 VanDerWaalsContact CE2-CD1 3.42Å; F75-L86 HydrophobicContact CZ-CD1 3.72Å; Y77-L86 HydrophobicContact CD2-CB 3.86Å; Y77-L86 HydrophobicContact CD2-CD1 4.3Å; Y77-L86 HydrophobicContact CE2-CB 4.38Å; L86-F88 HydrophobicContact CD1-CD1 4.37Å; L86-F88 HydrophobicContact CG-CD1 4.13Å
87L98.8Very high96.4Very high0 Ų033.3 Ų33.30%023%0.225CC..EExtended strand (participates in β ladder)trans-128.6123.2-177.3176.266.2000108.7A23 I44 F48 W56 H57 C58 I76A23-L87 HydrophobicContact CB-CD2 3.96Å; I44-L87 HydrophobicContact CG2-CD1 3.98Å; I44-L87 HydrophobicContact CG2-CD2 3.82Å; I44-L87 HydrophobicContact CG2-CG 4.44Å; F48-L87 HydrophobicContact CD1-CD2 3.65Å; F48-L87 HydrophobicContact CD1-CG 4.39Å; F48-L87 HydrophobicContact CD2-CD2 3.92Å; F48-L87 HydrophobicContact CE1-CD2 3.6Å; F48-L87 HydrophobicContact CE2-CD2 3.89Å; F48-L87 HydrophobicContact CG-CD1 4.42Å; F48-L87 HydrophobicContact CG-CD2 3.83Å; F48-L87 HydrophobicContact CZ-CD2 3.75Å; W56-L87 HydrophobicContact CE3-CD1 3.75Å; W56-L87 HydrophobicContact CE3-CD2 4.45Å; W56-L87 HydrophobicContact CE3-CG 3.79Å; W56-L87 HydrophobicContact CZ3-CD1 4.43Å; W56-L87 HydrophobicContact CZ3-CD2 4.41Å; W56-L87 HydrophobicContact CZ3-CG 3.96Å; H57-L87 WeakPolarHBondContact O-CA 3.48Å; H57-L87 WeakPolarHBondContact O-CD1 3.15Å; C58-L87 HydrophobicContact CB-CD1 4.03Å; I76-L87 HydrophobicContact CG2-CB 3.87Å; I76-L87 HydrophobicContact CG2-CD2 4.3Å; I76-L87 HydrophobicContact CG2-CG 4.46Å; I76-L87 PolarHBondContact N-O 2.91Å; I76-L87 PolarHBondContact O-N 2.8Å
88F98.5Very high96.2Very high12 Ų1232.6 Ų32.65%0.05323%0.229CC..EExtended strand (participates in β ladder)trans-150.5156.8-177.768.3-79.1000111.9W56 H57 M68 H70 H74 F75 L86W56-F88 WeakPolarHBondContact CA-O 3.45Å; H57-F88 HydrophobicContact CB-CD1 4.05Å; H57-F88 HydrophobicContact CB-CD2 4.32Å; H57-F88 HydrophobicContact CB-CE1 3.44Å; H57-F88 VanDerWaalsContact CB-CE1 3.44Å; H57-F88 HydrophobicContact CB-CE2 3.77Å; H57-F88 HydrophobicContact CB-CG 4.44Å; H57-F88 HydrophobicContact CB-CZ 3.26Å; H57-F88 AromaticContact CD2-CE2 3.68Å; H57-F88 AromaticContact CG-CE2 3.87Å; H57-F88 AromaticContact CG-CZ 3.71Å; H57-F88 PolarHBondContact N-O 3.01Å; H57-F88 PolarHBondContact O-N 3.2Å; M68-F88 HydrophobicContact CE-CD1 4.24Å; M68-F88 HydrophobicContact CE-CE1 3.26Å; M68-F88 HydrophobicContact CE-CE2 3.93Å; M68-F88 HydrophobicContact CE-CZ 3.07Å; M68-F88 HydrophobicContact CG-CD2 4.49Å; M68-F88 HydrophobicContact CG-CE1 4.48Å; M68-F88 HydrophobicContact CG-CE2 4.25Å; M68-F88 HydrophobicContact CG-CZ 4.27Å; M68-F88 HydrophobicContact SD-CD1 3.7Å; M68-F88 HydrophobicContact SD-CD2 4.41Å; M68-F88 HydrophobicContact SD-CE1 3.32Å; M68-F88 WeakPolarHBondContact SD-CE1 3.39Å; M68-F88 HydrophobicContact SD-CE2 4.08Å; M68-F88 HydrophobicContact SD-CG 4.25Å; M68-F88 HydrophobicContact SD-CZ 3.55Å; M68-F88 VanDerWaalsContact SD-CZ 3.55Å; H70-F88 HydrophobicContact CB-CB 4.02Å; H70-F88 HydrophobicContact CB-CD2 3.94Å; H70-F88 HydrophobicContact CB-CG 4.39Å; H74-F88 CarbonylContact O-C 3.53Å; H74-F88 WeakPolarHBondContact O-CA 3.45Å; F75-F88 HydrophobicContact CB-CB 4.39Å; F75-F88 HydrophobicContact CD2-CB 3.77Å; F75-F88 HydrophobicContact CG-CB 4.49Å; L86-F88 HydrophobicContact CD1-CD1 4.37Å; L86-F88 HydrophobicContact CG-CD1 4.13Å
89K98.4Very high96.1Very high20 Ų2035 Ų359%0.08725%0.246CC..EExtended strand (participates in β ladder)trans-102.3136.1174.6-163178.9168144.70111Y52 N53 P54 T55 W56 H70 E71 H74Y52-K89 PolarHBondContact O-NZ 2.8Å; N53-K89 PolarHBondContact O-NZ 2.94Å; P54-K89 WeakPolarHBondContact O-CE 3.16Å; P54-K89 PolarHBondContact O-NZ 2.56Å; T55-K89 WeakPolarHBondContact O-CA 3.5Å; T55-K89 WeakPolarHBondContact O-CG 3.09Å; W56-K89 HydrophobicContact CD2-CB 4.13Å; W56-K89 HydrophobicContact CD2-CG 4.44Å; W56-K89 HydrophobicContact CE3-CB 4.2Å; W56-K89 HydrophobicContact CZ2-CB 4.48Å; W56-K89 HydrophobicContact CZ2-CD 4.46Å; W56-K89 HydrophobicContact CZ3-CB 4.4Å; H70-K89 WeakPolarHBondContact CA-O 3.33Å; H70-K89 WeakPolarHBondContact CB-O 3.46Å; E71-K89 HydrophobicContact CB-CB 4.48Å; E71-K89 PolarHBondContact N-O 3.32Å; E71-K89 WeakPolarHBondContact OE1-CG 3.39Å; E71-K89 VanDerWaalsContact OE2-CD 3.28Å; E71-K89 WeakPolarHBondContact OE2-CD 3.21Å; E71-K89 WeakPolarHBondContact OE2-CE 3.17Å; H74-K89 HydrophobicContact CB-CB 3.44Å; H74-K89 VanDerWaalsContact CB-CB 3.44Å; H74-K89 HydrophobicContact CB-CD 4.34Å; H74-K89 PolarHBondContact O-N 3.21Å
90S96.2Very high96Very high43 Ų4331.2 Ų31.230%0.30124%0.24SC..  trans-160.2114.7174.9177.60000109.5T55 H57T55-S90 PolarHBondContact O-N 2.79Å; H57-S90 PolarHBondContact NE2-O 2.97Å
91G90.4Very high96.2Very high117 Ų11733.4 Ų33.4100%1.20626%0.259SS*.  trans167.40170.100000112.8E71E71-G91 PolarHBondContact OE1-N 3.24Å

Retrieved 91 of 91 residues in 190.6 ms (Link to these results)

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