G4V851_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession G4V851, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 90 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
1M44.6Very low76.4Confident221 Ų22187.1 Ų87.1100%1.08947%0.47SS*.  0113.60-76.3178.7-87.600108.9G3M1-G3 PolarHBondContact O-N 2.9Å
2I54.8Low78.1Confident154 Ų15486.8 Ų86.879%0.7947%0.466SS*.  trans-66.4114.1172.9-63.6169.6000106.2I4I2-I4 PolarHBondContact O-N 2.89Å
3G64.3Low79.6Confident49 Ų4989.9 Ų89.951%0.50547%0.473SS..  trans-69.4105.5-175.700000110.5M1 K5M1-G3 PolarHBondContact O-N 2.9Å; G3-K5 PolarHBondContact O-N 3.17Å
4I73.6Confident80.9Confident20 Ų2086.1 Ų86.110%0.10346%0.457CS..  trans-51.7132169.8-68.8170.1000108.4I2 D8 H29 L32 M82I2-I4 PolarHBondContact O-N 2.89Å; I4-D8 HydrophobicContact CG2-CB 4.35Å; I4-H29 PolarHBondContact O-CE1 2.78Å; I4-H29 PolarHBondContact O-ND1 2.72Å; I4-L32 HydrophobicContact CD1-CB 3.86Å; I4-L32 HydrophobicContact CD1-CD1 3.81Å; I4-L32 HydrophobicContact CD1-CG 4.39Å; I4-M82 HydrophobicContact CD1-CG 4.39Å; I4-M82 HydrophobicContact CD1-SD 3.7Å; I4-M82 HydrophobicContact CG1-CG 4.34Å; I4-M82 HydrophobicContact CG1-SD 3.63Å
5K76.5Confident81.9Confident138 Ų13886.1 Ų86.160%0.646%0.457SS*.  trans-98.8156169.4-64.4178.2-177.4176.80108.9G3 S7 D8G3-K5 PolarHBondContact O-N 3.17Å; K5-S7 VanDerWaalsContact CB-OG 3.31Å; K5-S7 WeakPolarHBondContact CB-OG 3.21Å; K5-S7 PolarHBondContact O-N 2.73Å; K5-S7 VanDerWaalsContact O-N 3.15Å; K5-D8 PolarHBondContact N-OD2 3.29Å; K5-D8 VanDerWaalsContact O-CB 3.31Å; K5-D8 WeakPolarHBondContact O-CB 3.31Å; K5-D8 PolarHBondContact O-N 2.9Å
6Q69.7Low82.8Confident67 Ų6781.8 Ų81.831%0.31343%0.434SS..G310 helixtrans-60.3-27.4176.1-162.4-177.548.700112.4D8 V9 K25 T26Q6-D8 PolarHBondContact O-N 2.93Å; Q6-V9 PolarHBondContact O-N 3.45Å; Q6-K25 HydrophobicContact CG-CB 4.16Å; Q6-T26 PolarHBondContact NE2-OG1 3.19Å; Q6-T26 VanDerWaalsContact NE2-OG1 3.1Å
7S78.7Confident83.6Confident86 Ų8685.3 Ų85.360%0.60145%0.448SS*.G310 helixtrans-61.6-22.9172.352.10000113.8K5 V9K5-S7 VanDerWaalsContact CB-OG 3.31Å; K5-S7 WeakPolarHBondContact CB-OG 3.21Å; K5-S7 PolarHBondContact O-N 2.73Å; K5-S7 VanDerWaalsContact O-N 3.15Å; S7-V9 PolarHBondContact O-N 2.95Å
8D88.9Confident84.3Confident66 Ų6687.9 Ų87.935%0.35346%0.462SS..G310 helixtrans-86-4.3-176.6-47.8-22.1000111.3I4 K5 Q6I4-D8 HydrophobicContact CG2-CB 4.35Å; K5-D8 PolarHBondContact N-OD2 3.29Å; K5-D8 VanDerWaalsContact O-CB 3.31Å; K5-D8 WeakPolarHBondContact O-CB 3.31Å; K5-D8 PolarHBondContact O-N 2.9Å; Q6-D8 PolarHBondContact O-N 2.93Å
9V95.5Very high85Confident2 Ų290.3 Ų90.31%0.01247%0.47CS..EExtended strand (participates in β ladder)trans-94.5102.2174.7-172.10000109.5Q6 S7 K25 V28 L79 R80 A81Q6-V9 PolarHBondContact O-N 3.45Å; S7-V9 PolarHBondContact O-N 2.95Å; V9-K25 HydrophobicContact CB-CG 4.37Å; V9-K25 HydrophobicContact CG1-CG 3.99Å; V9-K25 VanDerWaalsContact O-CE 3.29Å; V9-K25 WeakPolarHBondContact O-CE 3.4Å; V9-K25 PolarHBondContact O-NZ 3.06Å; V9-V28 HydrophobicContact CG1-CG1 4.16Å; V9-V28 HydrophobicContact CG2-CG1 4Å; V9-L79 HydrophobicContact CG1-CB 4.21Å; V9-L79 HydrophobicContact CG1-CD1 4.22Å; V9-L79 HydrophobicContact CG1-CD2 4.22Å; V9-L79 HydrophobicContact CG1-CG 4.45Å; V9-R80 WeakPolarHBondContact CA-O 3.38Å; V9-A81 HydrophobicContact CG2-CB 4.27Å
10L96.6Very high85.6Confident96 Ų9686.6 Ų86.650%0.50345%0.451SS..EExtended strand (participates in β ladder)trans-89.2137.2-179.6-65.6167.6000110.4I12 L79 R80L10-I12 HydrophobicContact CB-CD1 4.43Å; L10-L79 CarbonylContact O-C 3.57Å; L10-L79 VanDerWaalsContact O-CA 3.25Å; L10-L79 WeakPolarHBondContact O-CA 3.29Å; L10-R80 PolarHBondContact N-O 3.19Å; L10-R80 PolarHBondContact O-N 3.34Å
11I97.4Very high86.2Confident59 Ų5984.4 Ų84.430%0.30344%0.439SS..EExtended strand (participates in β ladder)trans-87.7121.3169.3-60.8177.2000107.5C14 Q21 K25 I77 L79I11-C14 HydrophobicContact CG2-CB 3.57Å; I11-Q21 HydrophobicContact CD1-CB 4.29Å; I11-Q21 HydrophobicContact CD1-CG 4.41Å; I11-K25 VanDerWaalsContact CG1-CE 3.43Å; I11-I77 HydrophobicContact CD1-CD1 4.29Å; I11-I77 HydrophobicContact CG1-CD1 4.27Å; I11-I77 HydrophobicContact CG2-CD1 4.45Å; I11-I77 HydrophobicContact CG2-CG1 4.41Å; I11-L79 HydrophobicContact CB-CD2 4.27Å; I11-L79 HydrophobicContact CG1-CD2 3.61Å
12I97Very high88.6Confident83 Ų8381.1 Ų81.143%0.42642%0.415SS..EExtended strand (participates in β ladder)trans-93.3-47.9178.3-53.6-59.3000110.3L10 L78 R80 F85L10-I12 HydrophobicContact CB-CD1 4.43Å; I12-L78 HydrophobicContact CB-CB 4.46Å; I12-L78 HydrophobicContact CB-CD2 4.08Å; I12-L78 HydrophobicContact CB-CG 4.05Å; I12-L78 HydrophobicContact CG2-CD2 3.98Å; I12-L78 PolarHBondContact N-O 3.43Å; I12-R80 HydrophobicContact CD1-CB 3.94Å; I12-R80 HydrophobicContact CG1-CB 3.96Å; I12-F85 HydrophobicContact CG1-CE1 4.35Å
13K96.9Very high90.7Very high128 Ų12876.4 Ų76.456%0.55739%0.388SS*.EExtended strand (participates in β ladder)trans-143.7146.8173-64.2-175.5-176178.60109.1Y76 I77 L78K13-Y76 HydrophobicContact CB-CE2 3.83Å; K13-I77 WeakPolarHBondContact O-CA 3.39Å; K13-L78 HydrophobicContact CB-CB 4.31Å; K13-L78 PolarHBondContact N-O 3.03Å; K13-L78 PolarHBondContact O-N 3.33Å
14C97.7Very high92.2Very high36 Ų3674.1 Ų74.124%0.24336%0.364CS..EExtended strand (participates in β ladder)trans-159.3138.7-176.8-176.70000110.7I11 L16 Q21 I77I11-C14 HydrophobicContact CG2-CB 3.57Å; C14-L16 PolarHBondContact SG-N 2.73Å; C14-Q21 VanDerWaalsContact SG-CG 3.55Å; C14-Q21 PolarHBondContact SG-NE2 3.4Å; C14-Q21 VanDerWaalsContact SG-NE2 3.36Å; C14-I77 HydrophobicContact CB-CD1 4.29Å; C14-I77 HydrophobicContact CB-CG1 3.96Å
15N97Very high93.4Very high86 Ų8675.5 Ų75.546%0.4637%0.369SS..  trans-134.659.3160.9-1578.4000109.3L73 S74 Y76N15-L73 VanDerWaalsContact CB-O 3.28Å; N15-L73 WeakPolarHBondContact CB-O 3.5Å; N15-L73 PolarHBondContact ND2-O 3.34Å; N15-S74 CarbonylContact O-C 3.2Å; N15-Y76 HydrophobicContact CB-CD1 3.84Å; N15-Y76 HydrophobicContact CB-CE1 3.49Å; N15-Y76 VanDerWaalsContact CB-CE1 3.49Å; N15-Y76 PolarHBondContact N-O 2.87Å
16L96.1Very high94.3Very high17 Ų1770.1 Ų70.19%0.08935%0.348CS..SBendtrans-124.3156173.8-62-178.5000109.9C14 M20 Q21 F49 W57 I77C14-L16 PolarHBondContact SG-N 2.73Å; L16-M20 HydrophobicContact CB-CB 4.07Å; L16-M20 HydrophobicContact CD1-CB 4.3Å; L16-M20 HydrophobicContact CD2-CE 4.33Å; L16-M20 HydrophobicContact CD2-SD 4.27Å; L16-Q21 HydrophobicContact CB-CG 4.1Å; L16-Q21 PolarHBondContact O-NE2 3.4Å; L16-F49 HydrophobicContact CD1-CZ 4.4Å; L16-W57 HydrophobicContact CD2-CH2 3.64Å; L16-W57 HydrophobicContact CD2-CZ3 4.16Å; L16-I77 HydrophobicContact CD1-CB 3.73Å; L16-I77 HydrophobicContact CD1-CG2 3.57Å; L16-I77 HydrophobicContact CG-CB 4.28Å
17Q95.8Very high95.6Very high142 Ų14267.1 Ų67.166%0.66433%0.334SS*.  trans-67.9152.4172.6-63179.5-1.300111.5E19 M20 Q21Q17-E19 PolarHBondContact O-N 2.95Å; Q17-E19 VanDerWaalsContact O-N 3.14Å; Q17-M20 WeakPolarHBondContact O-CB 3.39Å; Q17-M20 PolarHBondContact O-N 3.47Å; Q17-Q21 WeakPolarHBondContact O-CG 3.2Å; Q17-Q21 PolarHBondContact O-N 2.9Å
18N96.8Very high96.5Very high132 Ų13263 Ų6371%0.70631%0.305SS*.Hα-helixtrans-53.7-37.8-174.5-70.1-16000113.8Q21 Y22N18-Q21 WeakPolarHBondContact O-CB 3.27Å; N18-Q21 PolarHBondContact O-N 3.5Å; N18-Y22 PolarHBondContact O-N 3.07Å
19E97.2Very high96.9Very high133 Ų13361.8 Ų61.862%0.62130%0.297SS*.Hα-helixtrans-61.7-46.6176.4-175179.8-179.800111.8Q17 Q21 Y22 Y23Q17-E19 PolarHBondContact O-N 2.95Å; Q17-E19 VanDerWaalsContact O-N 3.14Å; E19-Q21 VanDerWaalsContact C-N 3.32Å; E19-Q21 PolarHBondContact O-N 3.43Å; E19-Y22 PolarHBondContact O-N 3.03Å; E19-Y23 PolarHBondContact O-N 2.94Å
20M96.8Very high96.9Very high17 Ų1766.8 Ų66.88%0.08432%0.319CS..Hα-helixtrans-63.4-39.4176.9-58.1-175.379.900111.4L16 Q17 Y23 V24 F49 Y53 W57L16-M20 HydrophobicContact CB-CB 4.07Å; L16-M20 HydrophobicContact CD1-CB 4.3Å; L16-M20 HydrophobicContact CD2-CE 4.33Å; L16-M20 HydrophobicContact CD2-SD 4.27Å; Q17-M20 WeakPolarHBondContact O-CB 3.39Å; Q17-M20 PolarHBondContact O-N 3.47Å; M20-Y23 PolarHBondContact O-N 3.31Å; M20-V24 WeakPolarHBondContact O-CG1 3.36Å; M20-V24 PolarHBondContact O-N 3.16Å; M20-F49 HydrophobicContact CB-CZ 4.22Å; M20-F49 HydrophobicContact CE-CE1 3.66Å; M20-F49 HydrophobicContact CE-CZ 3.65Å; M20-Y53 WeakPolarHBondContact CA-OH 3.43Å; M20-Y53 HydrophobicContact CB-CE2 4.3Å; M20-Y53 HydrophobicContact CE-CD1 4.13Å; M20-Y53 HydrophobicContact CE-CD2 3.79Å; M20-Y53 HydrophobicContact CE-CE1 4.34Å; M20-Y53 HydrophobicContact CE-CE2 3.97Å; M20-Y53 HydrophobicContact CE-CG 3.87Å; M20-Y53 HydrophobicContact CG-CE1 3.92Å; M20-Y53 HydrophobicContact CG-CE2 4.02Å; M20-W57 HydrophobicContact CE-CH2 4.09Å; M20-W57 HydrophobicContact CE-CZ2 3.73Å
21Q97.5Very high96.9Very high41 Ų4162.2 Ų62.219%0.19230%0.295CS..Hα-helixtrans-61.9-42.7175.4-62.3-178.731.300111.8I11 C14 L16 Q17 N18 E19 V24 K25 I77I11-Q21 HydrophobicContact CD1-CB 4.29Å; I11-Q21 HydrophobicContact CD1-CG 4.41Å; C14-Q21 VanDerWaalsContact SG-CG 3.55Å; C14-Q21 PolarHBondContact SG-NE2 3.4Å; C14-Q21 VanDerWaalsContact SG-NE2 3.36Å; L16-Q21 HydrophobicContact CB-CG 4.1Å; L16-Q21 PolarHBondContact O-NE2 3.4Å; Q17-Q21 WeakPolarHBondContact O-CG 3.2Å; Q17-Q21 PolarHBondContact O-N 2.9Å; N18-Q21 WeakPolarHBondContact O-CB 3.27Å; N18-Q21 PolarHBondContact O-N 3.5Å; E19-Q21 VanDerWaalsContact C-N 3.32Å; E19-Q21 PolarHBondContact O-N 3.43Å; Q21-V24 VanDerWaalsContact O-CG1 3.28Å; Q21-V24 WeakPolarHBondContact O-CG1 3.36Å; Q21-K25 WeakPolarHBondContact O-CG 3.37Å; Q21-K25 PolarHBondContact O-N 3.37Å; Q21-K25 VanDerWaalsContact O-N 3.15Å; Q21-I77 HydrophobicContact CB-CD1 4.47Å; Q21-I77 HydrophobicContact CG-CD1 4.18Å
22Y96.7Very high96.8Very high151 Ų15161.1 Ų61.159%0.59229%0.29SS*.Hα-helixtrans-65.5-42.6176.6179.8-97.8000111.6N18 E19 K25 T26N18-Y22 PolarHBondContact O-N 3.07Å; E19-Y22 PolarHBondContact O-N 3.03Å; Y22-K25 PolarHBondContact O-N 3.37Å; Y22-T26 PolarHBondContact O-N 3.1Å; Y22-T26 PolarHBondContact O-OG1 3.45Å
23Y97.5Very high96.6Very high56 Ų5663.3 Ų63.322%0.2230%0.296CS..Hα-helixtrans-63.9-48.6179.4-171.6-115.4000111.9E19 M20 K25 T26 L27 F49 H52 Y53E19-Y23 PolarHBondContact O-N 2.94Å; M20-Y23 PolarHBondContact O-N 3.31Å; Y23-K25 VanDerWaalsContact C-N 3.34Å; Y23-K25 PolarHBondContact O-N 3.47Å; Y23-T26 WeakPolarHBondContact O-CA 3.28Å; Y23-T26 VanDerWaalsContact O-CB 3.32Å; Y23-T26 WeakPolarHBondContact O-CB 3.33Å; Y23-T26 PolarHBondContact O-N 2.93Å; Y23-L27 HydrophobicContact CD1-CD1 3.98Å; Y23-L27 HydrophobicContact CD1-CG 4.32Å; Y23-L27 HydrophobicContact CE1-CD1 3.61Å; Y23-L27 HydrophobicContact CE1-CD2 4.32Å; Y23-L27 HydrophobicContact CE1-CG 4.06Å; Y23-L27 HydrophobicContact CE2-CD2 4.41Å; Y23-L27 WeakPolarHBondContact O-CG 3.4Å; Y23-L27 PolarHBondContact O-N 2.87Å; Y23-F49 AromaticContact CD1-CD2 3.76Å; Y23-F49 HydrophobicContact CD1-CD2 3.76Å; Y23-F49 AromaticContact CD1-CE2 3.93Å; Y23-F49 HydrophobicContact CD1-CE2 3.93Å; Y23-F49 HydrophobicContact CE1-CD2 4.14Å; Y23-H52 HydrophobicContact CE1-CB 3.69Å; Y23-H52 AromaticContact CE1-CD2 3.95Å; Y23-H52 AromaticContact CE1-CG 3.85Å; Y23-H52 AromaticContact CZ-CG 3.87Å; Y23-Y53 AromaticContact CD1-CE2 3.75Å; Y23-Y53 HydrophobicContact CD1-CE2 3.75Å; Y23-Y53 HydrophobicContact CE1-CE2 4.44Å; Y23-Y53 HydrophobicContact CG-CE2 4.43Å
24V97.3Very high96.6Very high0 Ų065.9 Ų65.90%030%0.302CS..Hα-helixtrans-63-38.6178.6680000112.1M20 Q21 T26 L27 V28 I45 F49 I77 L79 L88M20-V24 WeakPolarHBondContact O-CG1 3.36Å; M20-V24 PolarHBondContact O-N 3.16Å; Q21-V24 VanDerWaalsContact O-CG1 3.28Å; Q21-V24 WeakPolarHBondContact O-CG1 3.36Å; V24-T26 VanDerWaalsContact C-N 3.28Å; V24-T26 PolarHBondContact O-N 3.24Å; V24-L27 PolarHBondContact O-N 2.81Å; V24-L27 VanDerWaalsContact O-N 3.15Å; V24-V28 HydrophobicContact CG2-CG2 4.43Å; V24-V28 WeakPolarHBondContact O-CG2 3.28Å; V24-V28 PolarHBondContact O-N 2.88Å; V24-I45 HydrophobicContact CG2-CG2 4.31Å; V24-F49 HydrophobicContact CB-CD2 4.38Å; V24-F49 HydrophobicContact CB-CE2 3.89Å; V24-I77 HydrophobicContact CG1-CD1 3.85Å; V24-I77 HydrophobicContact CG1-CG2 4.22Å; V24-I77 HydrophobicContact CG2-CG2 4.45Å; V24-L79 HydrophobicContact CG1-CD1 4.09Å; V24-L79 HydrophobicContact CG2-CD1 3.94Å; V24-L88 HydrophobicContact CB-CD2 4.25Å; V24-L88 HydrophobicContact CG2-CD2 3.56Å
25K97.2Very high96.5Very high50 Ų5065.8 Ų65.822%0.21730%0.298CS..Hα-helixtrans-59.8-39.7173.1-78.1-173174.9-169.30112.2Q6 V9 I11 Q21 Y22 Y23 H29Q6-K25 HydrophobicContact CG-CB 4.16Å; V9-K25 HydrophobicContact CB-CG 4.37Å; V9-K25 HydrophobicContact CG1-CG 3.99Å; V9-K25 VanDerWaalsContact O-CE 3.29Å; V9-K25 WeakPolarHBondContact O-CE 3.4Å; V9-K25 PolarHBondContact O-NZ 3.06Å; I11-K25 VanDerWaalsContact CG1-CE 3.43Å; Q21-K25 WeakPolarHBondContact O-CG 3.37Å; Q21-K25 PolarHBondContact O-N 3.37Å; Q21-K25 VanDerWaalsContact O-N 3.15Å; Y22-K25 PolarHBondContact O-N 3.37Å; Y23-K25 VanDerWaalsContact C-N 3.34Å; Y23-K25 PolarHBondContact O-N 3.47Å; K25-H29 WeakPolarHBondContact O-CB 3.33Å; K25-H29 PolarHBondContact O-N 2.86Å
26T96.6Very high96.3Very high25 Ų2570.2 Ų70.215%0.15332%0.316CS..Hα-helixtrans-64.8-41175.5-58.20000111.6Q6 Y22 Y23 V24 K30Q6-T26 PolarHBondContact NE2-OG1 3.19Å; Q6-T26 VanDerWaalsContact NE2-OG1 3.1Å; Y22-T26 PolarHBondContact O-N 3.1Å; Y22-T26 PolarHBondContact O-OG1 3.45Å; Y23-T26 WeakPolarHBondContact O-CA 3.28Å; Y23-T26 VanDerWaalsContact O-CB 3.32Å; Y23-T26 WeakPolarHBondContact O-CB 3.33Å; Y23-T26 PolarHBondContact O-N 2.93Å; V24-T26 VanDerWaalsContact C-N 3.28Å; V24-T26 PolarHBondContact O-N 3.24Å; T26-K30 HydrophobicContact CG2-CD 4.32Å; T26-K30 WeakPolarHBondContact O-CG 3.35Å; T26-K30 PolarHBondContact O-N 3.33Å; T26-K30 VanDerWaalsContact O-N 3.09Å
27L97.6Very high96.3Very high3 Ų373.5 Ų73.52%0.01633%0.333CS..Hα-helixtrans-65.3-46.3175.8-65.5-177.4000112Y23 V24 H29 K30 A31 Y44 I45 K48 F49Y23-L27 HydrophobicContact CD1-CD1 3.98Å; Y23-L27 HydrophobicContact CD1-CG 4.32Å; Y23-L27 HydrophobicContact CE1-CD1 3.61Å; Y23-L27 HydrophobicContact CE1-CD2 4.32Å; Y23-L27 HydrophobicContact CE1-CG 4.06Å; Y23-L27 HydrophobicContact CE2-CD2 4.41Å; Y23-L27 WeakPolarHBondContact O-CG 3.4Å; Y23-L27 PolarHBondContact O-N 2.87Å; V24-L27 PolarHBondContact O-N 2.81Å; V24-L27 VanDerWaalsContact O-N 3.15Å; L27-H29 VanDerWaalsContact C-N 3.33Å; L27-H29 PolarHBondContact O-N 3.41Å; L27-K30 PolarHBondContact O-N 3.05Å; L27-K30 VanDerWaalsContact O-N 3.16Å; L27-A31 WeakPolarHBondContact O-CB 3.37Å; L27-A31 PolarHBondContact O-N 2.86Å; L27-Y44 HydrophobicContact CB-CE1 4.41Å; L27-Y44 HydrophobicContact CD2-CE1 4.12Å; L27-I45 HydrophobicContact CB-CG1 4.34Å; L27-K48 HydrophobicContact CD1-CB 3.7Å; L27-K48 HydrophobicContact CD2-CB 3.59Å; L27-K48 HydrophobicContact CD2-CG 4.04Å; L27-K48 HydrophobicContact CG-CB 4.29Å; L27-F49 HydrophobicContact CD1-CB 4.27Å; L27-F49 HydrophobicContact CD1-CD2 3.99Å
28V97.4Very high96.4Very high0 Ų070.4 Ų70.40%032%0.319CS..Hα-helixtrans-56.3-48176.9168.50000110.8V9 V24 K30 A31 L32 I45 L79 A81 I86V9-V28 HydrophobicContact CG1-CG1 4.16Å; V9-V28 HydrophobicContact CG2-CG1 4Å; V24-V28 HydrophobicContact CG2-CG2 4.43Å; V24-V28 WeakPolarHBondContact O-CG2 3.28Å; V24-V28 PolarHBondContact O-N 2.88Å; V28-K30 VanDerWaalsContact C-N 3.34Å; V28-K30 PolarHBondContact O-N 2.95Å; V28-A31 PolarHBondContact O-N 2.95Å; V28-L32 HydrophobicContact CG1-CD1 3.6Å; V28-L32 HydrophobicContact CG1-CG 4.28Å; V28-L32 WeakPolarHBondContact O-CB 3.46Å; V28-L32 WeakPolarHBondContact O-CG 3.46Å; V28-L32 PolarHBondContact O-N 3.42Å; V28-I45 HydrophobicContact CG2-CD1 3.71Å; V28-L79 HydrophobicContact CG2-CD1 3.76Å; V28-A81 HydrophobicContact CG1-CB 4.3Å; V28-I86 HydrophobicContact CG1-CD1 4.18Å; V28-I86 HydrophobicContact CG2-CG2 4.42Å
29H95.5Very high96.5Very high40 Ų4073.5 Ų73.519%0.18532%0.321CS..Hα-helixtrans-60.7-40.7177.5179.793.8000113I4 K25 L27 K33I4-H29 PolarHBondContact O-CE1 2.78Å; I4-H29 PolarHBondContact O-ND1 2.72Å; K25-H29 WeakPolarHBondContact O-CB 3.33Å; K25-H29 PolarHBondContact O-N 2.86Å; L27-H29 VanDerWaalsContact C-N 3.33Å; L27-H29 PolarHBondContact O-N 3.41Å; H29-K33 VanDerWaalsContact CE1-CE 3.48Å; H29-K33 WeakPolarHBondContact CE1-CE 3.3Å; H29-K33 VanDerWaalsContact NE2-CE 3.33Å; H29-K33 WeakPolarHBondContact NE2-CE 3.38Å; H29-K33 PolarHBondContact NE2-NZ 3.21Å; H29-K33 WeakPolarHBondContact O-CG 3.03Å; H29-K33 PolarHBondContact O-N 3.35Å
30K95.8Very high96.5Very high108 Ų10872 Ų7247%0.4731%0.313SS..Hα-helixtrans-69-39.9176.3-73.6175.6-178.8177.80112T26 L27 V28 K33 R34 Y44T26-K30 HydrophobicContact CG2-CD 4.32Å; T26-K30 WeakPolarHBondContact O-CG 3.35Å; T26-K30 PolarHBondContact O-N 3.33Å; T26-K30 VanDerWaalsContact O-N 3.09Å; L27-K30 PolarHBondContact O-N 3.05Å; L27-K30 VanDerWaalsContact O-N 3.16Å; V28-K30 VanDerWaalsContact C-N 3.34Å; V28-K30 PolarHBondContact O-N 2.95Å; K30-K33 PolarHBondContact O-N 2.95Å; K30-R34 PolarHBondContact O-N 2.91Å; K30-Y44 HydrophobicContact CB-CE1 4.08Å
31A97Very high96.6Very high0 Ų071.4 Ų71.40%031%0.311CS..Hα-helixtrans-64.9-51.7-179.500000111L27 V28 K33 R34 F35 I41 Y44 I45L27-A31 WeakPolarHBondContact O-CB 3.37Å; L27-A31 PolarHBondContact O-N 2.86Å; V28-A31 PolarHBondContact O-N 2.95Å; A31-K33 PolarHBondContact O-N 3.4Å; A31-K33 VanDerWaalsContact O-N 3.16Å; A31-R34 PolarHBondContact O-N 3.11Å; A31-F35 HydrophobicContact CB-CD2 4.47Å; A31-F35 WeakPolarHBondContact O-CD2 3.37Å; A31-F35 PolarHBondContact O-N 3.2Å; A31-I41 HydrophobicContact CB-CB 4.44Å; A31-I41 HydrophobicContact CB-CG2 3.84Å; A31-Y44 HydrophobicContact CB-CD1 3.61Å; A31-Y44 HydrophobicContact CB-CE1 4.17Å; A31-Y44 HydrophobicContact CB-CG 4.3Å; A31-I45 HydrophobicContact CB-CD1 4.4Å; A31-I45 HydrophobicContact CB-CG1 4.15Å
32L94.9Very high96.6Very high36 Ų3670 Ų7019%0.18831%0.306CS..Hα-helixtrans-66.3-17-179.3-65.2172.3000113.8I4 V28 I41 A81I4-L32 HydrophobicContact CD1-CB 3.86Å; I4-L32 HydrophobicContact CD1-CD1 3.81Å; I4-L32 HydrophobicContact CD1-CG 4.39Å; V28-L32 HydrophobicContact CG1-CD1 3.6Å; V28-L32 HydrophobicContact CG1-CG 4.28Å; V28-L32 WeakPolarHBondContact O-CB 3.46Å; V28-L32 WeakPolarHBondContact O-CG 3.46Å; V28-L32 PolarHBondContact O-N 3.42Å; L32-I41 HydrophobicContact CD2-CD1 3.67Å; L32-I41 HydrophobicContact CD2-CG1 4.39Å; L32-I41 HydrophobicContact CD2-CG2 4.32Å; L32-A81 HydrophobicContact CD1-CB 3.52Å
33K93.8Very high96.7Very high128 Ų12866 Ų6656%0.55730%0.298SS*.Hα-helixtrans-84.8-19.3171.5-80-174.9172.8-164.40113.8H29 K30 A31H29-K33 VanDerWaalsContact CE1-CE 3.48Å; H29-K33 WeakPolarHBondContact CE1-CE 3.3Å; H29-K33 VanDerWaalsContact NE2-CE 3.33Å; H29-K33 WeakPolarHBondContact NE2-CE 3.38Å; H29-K33 PolarHBondContact NE2-NZ 3.21Å; H29-K33 WeakPolarHBondContact O-CG 3.03Å; H29-K33 PolarHBondContact O-N 3.35Å; K30-K33 PolarHBondContact O-N 2.95Å; A31-K33 PolarHBondContact O-N 3.4Å; A31-K33 VanDerWaalsContact O-N 3.16Å
34R95.6Very high96.8Very high183 Ų18365.3 Ų65.369%0.69130%0.295SS*.Hα-helixtrans-108.4-30.7-172.1-177.6173.4172.2169.6-0.5112.7K30 A31K30-R34 PolarHBondContact O-N 2.91Å; A31-R34 PolarHBondContact O-N 3.11Å
35F96.3Very high96.8Very high34 Ų3465.3 Ų65.315%0.14930%0.295CS..  trans-129.9140.6-170.8-51.1-68.7000109.9A31 E40 I41 Y44A31-F35 HydrophobicContact CB-CD2 4.47Å; A31-F35 WeakPolarHBondContact O-CD2 3.37Å; A31-F35 PolarHBondContact O-N 3.2Å; F35-E40 HydrophobicContact CB-CB 3.94Å; F35-E40 HydrophobicContact CD1-CB 3.85Å; F35-E40 HydrophobicContact CD1-CG 4.49Å; F35-E40 WeakPolarHBondContact CD1-OE2 3.31Å; F35-E40 HydrophobicContact CE1-CB 4.47Å; F35-E40 HydrophobicContact CG-CB 3.89Å; F35-I41 HydrophobicContact CB-CG1 3.79Å; F35-Y44 AromaticContact CE2-CD2 3.66Å; F35-Y44 HydrophobicContact CE2-CD2 3.66Å; F35-Y44 HydrophobicContact CE2-CE2 4.47Å; F35-Y44 AromaticContact CE2-CG 3.76Å; F35-Y44 HydrophobicContact CE2-CG 3.76Å; F35-Y44 HydrophobicContact CZ-CD2 4.21Å
36E93.3Very high96.9Very high179 Ų17965.5 Ų65.584%0.83630%0.296SS*.  trans-99.3-28.7169.8-63.8-174.5169.600111.3
37D96.4Very high96.9Very high85 Ų8569.3 Ų69.346%0.45532%0.315SS..SBendtrans-73.5126.6179.7179.5-88000111.6R39 E40 I41D37-R39 VanDerWaalsContact C-N 3.26Å; D37-R39 PolarHBondContact O-N 3.16Å; D37-R39 VanDerWaalsContact OD1-CA 3.31Å; D37-R39 WeakPolarHBondContact OD1-CA 3.41Å; D37-R39 WeakPolarHBondContact OD1-CB 3.45Å; D37-R39 PolarHBondContact OD1-N 3.35Å; D37-E40 HydrophobicContact CB-CB 4.21Å; D37-E40 HydrophobicContact CB-CG 4.04Å; D37-E40 PolarHBondContact O-N 3.3Å; D37-E40 PolarHBondContact OD1-N 3.41Å; D37-I41 WeakPolarHBondContact O-CG1 3.32Å; D37-I41 PolarHBondContact O-N 2.84Å
38E97.4Very high97Very high77 Ų7773.8 Ų73.836%0.3633%0.334SS..Hα-helixtrans-59.9-36.2-177-65.7179.9152.700112.1I41 A42 V61 G62 K63E38-I41 PolarHBondContact O-N 3.06Å; E38-A42 WeakPolarHBondContact O-CB 3.46Å; E38-A42 PolarHBondContact O-N 3.39Å; E38-V61 HydrophobicContact CB-CB 4.29Å; E38-V61 HydrophobicContact CB-CG1 4Å; E38-V61 HydrophobicContact CG-CG1 4.16Å; E38-G62 WeakPolarHBondContact OE1-CA 3.45Å; E38-K63 PolarHBondContact OE1-N 2.87Å
39R97.9Very high97Very high198 Ų19873.8 Ų73.875%0.74733%0.334SS*.Hα-helixtrans-71.3-38.1179176.1-174.7-75.7176.1-4.1111D37 T43D37-R39 VanDerWaalsContact C-N 3.26Å; D37-R39 PolarHBondContact O-N 3.16Å; D37-R39 VanDerWaalsContact OD1-CA 3.31Å; D37-R39 WeakPolarHBondContact OD1-CA 3.41Å; D37-R39 WeakPolarHBondContact OD1-CB 3.45Å; D37-R39 PolarHBondContact OD1-N 3.35Å; R39-T43 VanDerWaalsContact O-CB 3.27Å; R39-T43 WeakPolarHBondContact O-CB 3.19Å; R39-T43 PolarHBondContact O-N 2.94Å; R39-T43 PolarHBondContact O-OG1 3.09Å
40E98.6Very high97Very high100 Ų10073 Ų7347%0.46733%0.331SS..Hα-helixtrans-64.5-42173.3-68.7-164.7139.900112F35 D37 T43 Y44F35-E40 HydrophobicContact CB-CB 3.94Å; F35-E40 HydrophobicContact CD1-CB 3.85Å; F35-E40 HydrophobicContact CD1-CG 4.49Å; F35-E40 WeakPolarHBondContact CD1-OE2 3.31Å; F35-E40 HydrophobicContact CE1-CB 4.47Å; F35-E40 HydrophobicContact CG-CB 3.89Å; D37-E40 HydrophobicContact CB-CB 4.21Å; D37-E40 HydrophobicContact CB-CG 4.04Å; D37-E40 PolarHBondContact O-N 3.3Å; D37-E40 PolarHBondContact OD1-N 3.41Å; E40-T43 PolarHBondContact O-N 2.8Å; E40-Y44 WeakPolarHBondContact O-CB 3.38Å; E40-Y44 PolarHBondContact O-N 2.92Å
41I98.2Very high97.1Very high6 Ų672 Ų723%0.03134%0.337CS..Hα-helixtrans-59.6-51.3175.1-64.6160000110.3A31 L32 F35 D37 E38 T43 Y44 I45 V61A31-I41 HydrophobicContact CB-CB 4.44Å; A31-I41 HydrophobicContact CB-CG2 3.84Å; L32-I41 HydrophobicContact CD2-CD1 3.67Å; L32-I41 HydrophobicContact CD2-CG1 4.39Å; L32-I41 HydrophobicContact CD2-CG2 4.32Å; F35-I41 HydrophobicContact CB-CG1 3.79Å; D37-I41 WeakPolarHBondContact O-CG1 3.32Å; D37-I41 PolarHBondContact O-N 2.84Å; E38-I41 PolarHBondContact O-N 3.06Å; I41-T43 VanDerWaalsContact C-N 3.33Å; I41-T43 PolarHBondContact O-N 3.02Å; I41-Y44 PolarHBondContact O-N 2.89Å; I41-I45 HydrophobicContact CG2-CD1 3.86Å; I41-I45 WeakPolarHBondContact O-CG1 3.26Å; I41-I45 PolarHBondContact O-N 3.2Å; I41-V61 HydrophobicContact CB-CG1 4.44Å; I41-V61 HydrophobicContact CB-CG2 4.42Å; I41-V61 HydrophobicContact CG2-CG1 4.21Å; I41-V61 HydrophobicContact CG2-CG2 3.94Å
42A98.6Very high97.1Very high12 Ų1276 Ų7610%0.09936%0.356CS..Hα-helixtrans-58.6-45.9179.200000111.5E38 Y44 I45 K46 C59 V61E38-A42 WeakPolarHBondContact O-CB 3.46Å; E38-A42 PolarHBondContact O-N 3.39Å; A42-Y44 PolarHBondContact O-N 3.09Å; A42-I45 PolarHBondContact O-N 3.36Å; A42-K46 VanDerWaalsContact O-CB 3.31Å; A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 2.82Å; A42-C59 HydrophobicContact CB-CB 4.35Å; A42-V61 HydrophobicContact CB-CB 4.21Å; A42-V61 HydrophobicContact CB-CG2 3.69Å
43T98.5Very high97.1Very high67 Ų6776.4 Ų76.441%0.41136%0.355SS..Hα-helixtrans-62.6-44.1179.5-59.60000111.4R39 E40 I41 L47R39-T43 VanDerWaalsContact O-CB 3.27Å; R39-T43 WeakPolarHBondContact O-CB 3.19Å; R39-T43 PolarHBondContact O-N 2.94Å; R39-T43 PolarHBondContact O-OG1 3.09Å; E40-T43 PolarHBondContact O-N 2.8Å; I41-T43 VanDerWaalsContact C-N 3.33Å; I41-T43 PolarHBondContact O-N 3.02Å; T43-L47 HydrophobicContact CG2-CD1 3.73Å; T43-L47 HydrophobicContact CG2-CG 4.23Å; T43-L47 WeakPolarHBondContact O-CB 3.3Å; T43-L47 VanDerWaalsContact O-CG 3.28Å; T43-L47 WeakPolarHBondContact O-CG 3.35Å; T43-L47 PolarHBondContact O-N 2.84Å
44Y98.6Very high96.6Very high40 Ų4077.9 Ų77.916%0.15736%0.364CS..Hα-helixtrans-60.7-48.1177.8175.6-89.7000112.1L27 K30 A31 F35 E40 I41 A42 K48L27-Y44 HydrophobicContact CB-CE1 4.41Å; L27-Y44 HydrophobicContact CD2-CE1 4.12Å; K30-Y44 HydrophobicContact CB-CE1 4.08Å; A31-Y44 HydrophobicContact CB-CD1 3.61Å; A31-Y44 HydrophobicContact CB-CE1 4.17Å; A31-Y44 HydrophobicContact CB-CG 4.3Å; F35-Y44 AromaticContact CE2-CD2 3.66Å; F35-Y44 HydrophobicContact CE2-CD2 3.66Å; F35-Y44 HydrophobicContact CE2-CE2 4.47Å; F35-Y44 AromaticContact CE2-CG 3.76Å; F35-Y44 HydrophobicContact CE2-CG 3.76Å; F35-Y44 HydrophobicContact CZ-CD2 4.21Å; E40-Y44 WeakPolarHBondContact O-CB 3.38Å; E40-Y44 PolarHBondContact O-N 2.92Å; I41-Y44 PolarHBondContact O-N 2.89Å; A42-Y44 PolarHBondContact O-N 3.09Å; Y44-K48 HydrophobicContact CE1-CG 4.28Å; Y44-K48 HydrophobicContact CE2-CG 4.2Å; Y44-K48 WeakPolarHBondContact O-CB 3.5Å; Y44-K48 WeakPolarHBondContact O-CG 3.33Å; Y44-K48 PolarHBondContact O-N 2.72Å; Y44-K48 VanDerWaalsContact O-N 3.1Å
45I98.5Very high96Very high0 Ų071.4 Ų71.40%034%0.343CS..Hα-helixtrans-62.7-51.2-179-65.4165.8000109.5V24 L27 V28 A31 I41 A42 L47 K48 F49 I86 L88V24-I45 HydrophobicContact CG2-CG2 4.31Å; L27-I45 HydrophobicContact CB-CG1 4.34Å; V28-I45 HydrophobicContact CG2-CD1 3.71Å; A31-I45 HydrophobicContact CB-CD1 4.4Å; A31-I45 HydrophobicContact CB-CG1 4.15Å; I41-I45 HydrophobicContact CG2-CD1 3.86Å; I41-I45 WeakPolarHBondContact O-CG1 3.26Å; I41-I45 PolarHBondContact O-N 3.2Å; A42-I45 PolarHBondContact O-N 3.36Å; I45-L47 PolarHBondContact O-N 3.35Å; I45-K48 PolarHBondContact O-N 2.78Å; I45-F49 VanDerWaalsContact O-CB 3.3Å; I45-F49 WeakPolarHBondContact O-CB 3.33Å; I45-F49 PolarHBondContact O-N 3.19Å; I45-I86 HydrophobicContact CD1-CG2 4Å; I45-L88 HydrophobicContact CG2-CD1 4.23Å; I45-L88 HydrophobicContact CG2-CD2 4.35Å
46K98.2Very high95.7Very high54 Ų5479.2 Ų79.224%0.23537%0.373CS..Hα-helixtrans-53.4-55.6178-179.5-172.5-179.6-48.80111.6A42 K48 F49 D50 W57 C59A42-K46 VanDerWaalsContact O-CB 3.31Å; A42-K46 WeakPolarHBondContact O-CB 3.47Å; A42-K46 PolarHBondContact O-N 2.82Å; K46-K48 VanDerWaalsContact C-N 3.32Å; K46-K48 PolarHBondContact O-N 2.89Å; K46-F49 PolarHBondContact O-N 3.14Å; K46-D50 IonicContact NZ-OD2 2.72Å; K46-D50 PolarHBondContact NZ-OD2 3.39Å; K46-D50 WeakPolarHBondContact O-CB 3.48Å; K46-D50 VanDerWaalsContact O-CG 3.27Å; K46-D50 PolarHBondContact O-N 2.86Å; K46-W57 WeakPolarHBondContact CE-O 3.32Å; K46-W57 WeakPolarHBondContact CG-O 3.31Å; K46-W57 PolarHBondContact NZ-O 3.15Å; K46-C59 HydrophobicContact CB-CB 4.09Å
47L97.6Very high95.9Very high106 Ų10670.7 Ų70.756%0.55533%0.333SS*.Hα-helixtrans-60.8-40.3-176.3-73.2174.8000112.6T43 I45 S51T43-L47 HydrophobicContact CG2-CD1 3.73Å; T43-L47 HydrophobicContact CG2-CG 4.23Å; T43-L47 WeakPolarHBondContact O-CB 3.3Å; T43-L47 VanDerWaalsContact O-CG 3.28Å; T43-L47 WeakPolarHBondContact O-CG 3.35Å; T43-L47 PolarHBondContact O-N 2.84Å; I45-L47 PolarHBondContact O-N 3.35Å; L47-S51 VanDerWaalsContact O-CB 3.26Å; L47-S51 WeakPolarHBondContact O-CB 3.37Å; L47-S51 PolarHBondContact O-N 3.45Å; L47-S51 VanDerWaalsContact O-N 3.11Å
48K98Very high96Very high96 Ų9670.9 Ų70.942%0.41733%0.331SS..Hα-helixtrans-71.8-37178.5-71.1-60.9-176.3-171.60112.4L27 Y44 I45 K46 H52L27-K48 HydrophobicContact CD1-CB 3.7Å; L27-K48 HydrophobicContact CD2-CB 3.59Å; L27-K48 HydrophobicContact CD2-CG 4.04Å; L27-K48 HydrophobicContact CG-CB 4.29Å; Y44-K48 HydrophobicContact CE1-CG 4.28Å; Y44-K48 HydrophobicContact CE2-CG 4.2Å; Y44-K48 WeakPolarHBondContact O-CB 3.5Å; Y44-K48 WeakPolarHBondContact O-CG 3.33Å; Y44-K48 PolarHBondContact O-N 2.72Å; Y44-K48 VanDerWaalsContact O-N 3.1Å; I45-K48 PolarHBondContact O-N 2.78Å; K46-K48 VanDerWaalsContact C-N 3.32Å; K46-K48 PolarHBondContact O-N 2.89Å; K48-H52 WeakPolarHBondContact O-CB 3.45Å; K48-H52 PolarHBondContact O-N 2.96Å
49F97.4Very high96Very high0 Ų068.1 Ų68.10%032%0.32CS..Hα-helixtrans-71.4-44.2178.8-148.9-97.3000111.9L16 M20 Y23 V24 L27 I45 K46 S51 H52 Y53 W57 L88L16-F49 HydrophobicContact CD1-CZ 4.4Å; M20-F49 HydrophobicContact CB-CZ 4.22Å; M20-F49 HydrophobicContact CE-CE1 3.66Å; M20-F49 HydrophobicContact CE-CZ 3.65Å; Y23-F49 AromaticContact CD1-CD2 3.76Å; Y23-F49 HydrophobicContact CD1-CD2 3.76Å; Y23-F49 AromaticContact CD1-CE2 3.93Å; Y23-F49 HydrophobicContact CD1-CE2 3.93Å; Y23-F49 HydrophobicContact CE1-CD2 4.14Å; V24-F49 HydrophobicContact CB-CD2 4.38Å; V24-F49 HydrophobicContact CB-CE2 3.89Å; L27-F49 HydrophobicContact CD1-CB 4.27Å; L27-F49 HydrophobicContact CD1-CD2 3.99Å; I45-F49 VanDerWaalsContact O-CB 3.3Å; I45-F49 WeakPolarHBondContact O-CB 3.33Å; I45-F49 PolarHBondContact O-N 3.19Å; K46-F49 PolarHBondContact O-N 3.14Å; F49-S51 VanDerWaalsContact C-N 3.32Å; F49-S51 PolarHBondContact O-N 3.24Å; F49-H52 PolarHBondContact O-N 3.15Å; F49-Y53 AromaticContact CD1-CD2 3.78Å; F49-Y53 HydrophobicContact CD1-CD2 3.78Å; F49-Y53 HydrophobicContact CD1-CE2 4.49Å; F49-Y53 HydrophobicContact CD2-CD2 4.03Å; F49-Y53 HydrophobicContact CD2-CE2 4.05Å; F49-Y53 AromaticContact CE1-CD2 3.5Å; F49-Y53 HydrophobicContact CE1-CD2 3.5Å; F49-Y53 VanDerWaalsContact CE1-CD2 3.5Å; F49-Y53 HydrophobicContact CE1-CE2 4Å; F49-Y53 HydrophobicContact CE1-CG 4.42Å; F49-Y53 AromaticContact CE2-CD2 3.77Å; F49-Y53 HydrophobicContact CE2-CD2 3.77Å; F49-Y53 AromaticContact CE2-CE2 3.5Å; F49-Y53 HydrophobicContact CE2-CE2 3.5Å; F49-Y53 VanDerWaalsContact CE2-CE2 3.5Å; F49-Y53 HydrophobicContact CG-CD2 4.06Å; F49-Y53 AromaticContact CZ-CD2 3.51Å; F49-Y53 HydrophobicContact CZ-CD2 3.51Å; F49-Y53 AromaticContact CZ-CE2 3.49Å; F49-Y53 HydrophobicContact CZ-CE2 3.49Å; F49-Y53 VanDerWaalsContact CZ-CE2 3.49Å; F49-Y53 PolarHBondContact O-N 3.48Å; F49-W57 AromaticContact CD1-CD1 3.65Å; F49-W57 AromaticContact CD1-CD2 3.57Å; F49-W57 HydrophobicContact CD1-CD2 3.57Å; F49-W57 AromaticContact CD1-CE2 3.57Å; F49-W57 HydrophobicContact CD1-CE3 4.19Å; F49-W57 AromaticContact CD1-CG 3.68Å; F49-W57 HydrophobicContact CD1-CG 3.68Å; F49-W57 HydrophobicContact CD1-CZ2 4.21Å; F49-W57 AromaticContact CD1-NE1 3.55Å; F49-W57 AromaticContact CE1-CD2 3.68Å; F49-W57 HydrophobicContact CE1-CD2 3.68Å; F49-W57 AromaticContact CE1-CE2 3.4Å; F49-W57 VanDerWaalsContact CE1-CE2 3.4Å; F49-W57 HydrophobicContact CE1-CE3 4.02Å; F49-W57 HydrophobicContact CE1-CG 4.28Å; F49-W57 AromaticContact CE1-CH2 3.9Å; F49-W57 HydrophobicContact CE1-CH2 3.9Å; F49-W57 AromaticContact CE1-CZ2 3.56Å; F49-W57 HydrophobicContact CE1-CZ2 3.56Å; F49-W57 HydrophobicContact CE1-CZ3 4.11Å; F49-W57 AromaticContact CE1-NE1 3.77Å; F49-L88 HydrophobicContact CB-CD2 4.43Å; F49-L88 HydrophobicContact CD1-CD2 3.86Å; F49-L88 HydrophobicContact CD2-CD2 3.81Å; F49-L88 HydrophobicContact CE1-CD2 3.93Å; F49-L88 HydrophobicContact CE2-CD2 3.9Å; F49-L88 HydrophobicContact CG-CD2 3.78Å; F49-L88 HydrophobicContact CZ-CD2 3.94Å
50D96.8Very high96Very high25 Ų2561.2 Ų61.213%0.13430%0.298CS..Hα-helixtrans-56.6-46.1173.2-72.9-4.2000111K46 H52 H54 N55 W57K46-D50 IonicContact NZ-OD2 2.72Å; K46-D50 PolarHBondContact NZ-OD2 3.39Å; K46-D50 WeakPolarHBondContact O-CB 3.48Å; K46-D50 VanDerWaalsContact O-CG 3.27Å; K46-D50 PolarHBondContact O-N 2.86Å; D50-H52 VanDerWaalsContact C-N 3.29Å; D50-H52 PolarHBondContact O-N 3.36Å; D50-H54 VanDerWaalsContact O-CA 3.32Å; D50-H54 WeakPolarHBondContact O-CA 3.46Å; D50-H54 PolarHBondContact O-N 2.94Å; D50-N55 WeakPolarHBondContact CA-O 3.48Å; D50-N55 WeakPolarHBondContact CB-O 3.38Å; D50-W57 WeakPolarHBondContact OD1-CA 3.48Å; D50-W57 WeakPolarHBondContact OD1-CB 3.42Å; D50-W57 VanDerWaalsContact OD1-CD1 3.3Å; D50-W57 PolarHBondContact OD1-N 3.15Å
51S96.7Very high96Very high85 Ų8557.2 Ų57.259%0.59428%0.28SS*.Hα-helixtrans-65-29.4179.81790000113.6L47 F49L47-S51 VanDerWaalsContact O-CB 3.26Å; L47-S51 WeakPolarHBondContact O-CB 3.37Å; L47-S51 PolarHBondContact O-N 3.45Å; L47-S51 VanDerWaalsContact O-N 3.11Å; F49-S51 VanDerWaalsContact C-N 3.32Å; F49-S51 PolarHBondContact O-N 3.24Å
52H96.8Very high96Very high86 Ų8657.1 Ų57.140%0.39828%0.281SS..Hα-helixtrans-92-37.9-175.5-169.473.3000112.6Y23 K48 F49 D50Y23-H52 HydrophobicContact CE1-CB 3.69Å; Y23-H52 AromaticContact CE1-CD2 3.95Å; Y23-H52 AromaticContact CE1-CG 3.85Å; Y23-H52 AromaticContact CZ-CG 3.87Å; K48-H52 WeakPolarHBondContact O-CB 3.45Å; K48-H52 PolarHBondContact O-N 2.96Å; F49-H52 PolarHBondContact O-N 3.15Å; D50-H52 VanDerWaalsContact C-N 3.29Å; D50-H52 PolarHBondContact O-N 3.36Å
53Y95.3Very high95.9Very high43 Ų4361.3 Ų61.317%0.16930%0.297CS..Hα-helixtrans-1078.3-176.9-66.2-63.7000114M20 Y23 F49 N55M20-Y53 WeakPolarHBondContact CA-OH 3.43Å; M20-Y53 HydrophobicContact CB-CE2 4.3Å; M20-Y53 HydrophobicContact CE-CD1 4.13Å; M20-Y53 HydrophobicContact CE-CD2 3.79Å; M20-Y53 HydrophobicContact CE-CE1 4.34Å; M20-Y53 HydrophobicContact CE-CE2 3.97Å; M20-Y53 HydrophobicContact CE-CG 3.87Å; M20-Y53 HydrophobicContact CG-CE1 3.92Å; M20-Y53 HydrophobicContact CG-CE2 4.02Å; Y23-Y53 AromaticContact CD1-CE2 3.75Å; Y23-Y53 HydrophobicContact CD1-CE2 3.75Å; Y23-Y53 HydrophobicContact CE1-CE2 4.44Å; Y23-Y53 HydrophobicContact CG-CE2 4.43Å; F49-Y53 AromaticContact CD1-CD2 3.78Å; F49-Y53 HydrophobicContact CD1-CD2 3.78Å; F49-Y53 HydrophobicContact CD1-CE2 4.49Å; F49-Y53 HydrophobicContact CD2-CD2 4.03Å; F49-Y53 HydrophobicContact CD2-CE2 4.05Å; F49-Y53 AromaticContact CE1-CD2 3.5Å; F49-Y53 HydrophobicContact CE1-CD2 3.5Å; F49-Y53 VanDerWaalsContact CE1-CD2 3.5Å; F49-Y53 HydrophobicContact CE1-CE2 4Å; F49-Y53 HydrophobicContact CE1-CG 4.42Å; F49-Y53 AromaticContact CE2-CD2 3.77Å; F49-Y53 HydrophobicContact CE2-CD2 3.77Å; F49-Y53 AromaticContact CE2-CE2 3.5Å; F49-Y53 HydrophobicContact CE2-CE2 3.5Å; F49-Y53 VanDerWaalsContact CE2-CE2 3.5Å; F49-Y53 HydrophobicContact CG-CD2 4.06Å; F49-Y53 AromaticContact CZ-CD2 3.51Å; F49-Y53 HydrophobicContact CZ-CD2 3.51Å; F49-Y53 AromaticContact CZ-CE2 3.49Å; F49-Y53 HydrophobicContact CZ-CE2 3.49Å; F49-Y53 VanDerWaalsContact CZ-CE2 3.49Å; F49-Y53 PolarHBondContact O-N 3.48Å; Y53-N55 PolarHBondContact O-N 3.1Å; Y53-N55 PolarHBondContact O-ND2 2.96Å
54H84.7Confident95.6Very high159 Ų15966.6 Ų66.674%0.73632%0.317SS*.THydrogen-bonded Turntrans49.153173.8-60.6-65.3000114.3D50D50-H54 VanDerWaalsContact O-CA 3.32Å; D50-H54 WeakPolarHBondContact O-CA 3.46Å; D50-H54 PolarHBondContact O-N 2.94Å
55N81.3Confident95.5Very high48 Ų4868.2 Ų68.226%0.25732%0.324SS..SBendtrans-147.8162.8-176.2-82-58.6000110.5D50 Y53 W57 R90D50-N55 WeakPolarHBondContact CA-O 3.48Å; D50-N55 WeakPolarHBondContact CB-O 3.38Å; Y53-N55 PolarHBondContact O-N 3.1Å; Y53-N55 PolarHBondContact O-ND2 2.96Å; N55-W57 PolarHBondContact O-N 3.06Å; N55-R90 VanDerWaalsContact CG-NH1 3.31Å; N55-R90 PolarHBondContact OD1-NH1 3.07Å
56Y91.6Very high95.2Very high198 Ų19875.8 Ų75.878%0.77637%0.365SS*.  trans-90.289.1176.2-59.9-76.9000110.4
57W96.9Very high94.8Very high0 Ų075.6 Ų75.60%037%0.37CS..  trans-88.6156.2174.6-64.378.6000111.5L16 M20 K46 F49 D50 N55 R75 L88 F89 R90L16-W57 HydrophobicContact CD2-CH2 3.64Å; L16-W57 HydrophobicContact CD2-CZ3 4.16Å; M20-W57 HydrophobicContact CE-CH2 4.09Å; M20-W57 HydrophobicContact CE-CZ2 3.73Å; K46-W57 WeakPolarHBondContact CE-O 3.32Å; K46-W57 WeakPolarHBondContact CG-O 3.31Å; K46-W57 PolarHBondContact NZ-O 3.15Å; F49-W57 AromaticContact CD1-CD1 3.65Å; F49-W57 AromaticContact CD1-CD2 3.57Å; F49-W57 HydrophobicContact CD1-CD2 3.57Å; F49-W57 AromaticContact CD1-CE2 3.57Å; F49-W57 HydrophobicContact CD1-CE3 4.19Å; F49-W57 AromaticContact CD1-CG 3.68Å; F49-W57 HydrophobicContact CD1-CG 3.68Å; F49-W57 HydrophobicContact CD1-CZ2 4.21Å; F49-W57 AromaticContact CD1-NE1 3.55Å; F49-W57 AromaticContact CE1-CD2 3.68Å; F49-W57 HydrophobicContact CE1-CD2 3.68Å; F49-W57 AromaticContact CE1-CE2 3.4Å; F49-W57 VanDerWaalsContact CE1-CE2 3.4Å; F49-W57 HydrophobicContact CE1-CE3 4.02Å; F49-W57 HydrophobicContact CE1-CG 4.28Å; F49-W57 AromaticContact CE1-CH2 3.9Å; F49-W57 HydrophobicContact CE1-CH2 3.9Å; F49-W57 AromaticContact CE1-CZ2 3.56Å; F49-W57 HydrophobicContact CE1-CZ2 3.56Å; F49-W57 HydrophobicContact CE1-CZ3 4.11Å; F49-W57 AromaticContact CE1-NE1 3.77Å; D50-W57 WeakPolarHBondContact OD1-CA 3.48Å; D50-W57 WeakPolarHBondContact OD1-CB 3.42Å; D50-W57 VanDerWaalsContact OD1-CD1 3.3Å; D50-W57 PolarHBondContact OD1-N 3.15Å; N55-W57 PolarHBondContact O-N 3.06Å; W57-R75 HydrophobicContact CH2-CB 3.63Å; W57-R75 HydrophobicContact CH2-CG 4.26Å; W57-R75 HydrophobicContact CZ2-CB 4.36Å; W57-R75 HydrophobicContact CZ3-CB 4.13Å; W57-R75 VanDerWaalsContact CZ3-O 3.26Å; W57-R75 WeakPolarHBondContact CZ3-O 3.42Å; W57-L88 HydrophobicContact CB-CD1 4.01Å; W57-L88 HydrophobicContact CE3-CD1 4.27Å; W57-L88 HydrophobicContact CE3-CD2 4.42Å; W57-L88 HydrophobicContact CE3-CG 3.86Å; W57-L88 HydrophobicContact CZ3-CG 4.44Å; W57-F89 WeakPolarHBondContact CA-O 3.46Å; W57-R90 HydrophobicContact CD2-CB 4.26Å; W57-R90 HydrophobicContact CE3-CB 4.18Å; W57-R90 HydrophobicContact CH2-CB 4.43Å; W57-R90 HydrophobicContact CZ2-CB 4.49Å; W57-R90 HydrophobicContact CZ3-CB 4.28Å
58Q97.5Very high94.7Very high88 Ų8876.7 Ų76.741%0.41139%0.386SS..EExtended strand (participates in β ladder)trans-118.3143.1170.8-57.6-56.4-31.200109.3L88 F89Q58-L88 WeakPolarHBondContact O-CA 3.48Å; Q58-L88 WeakPolarHBondContact O-CD1 3.31Å; Q58-F89 HydrophobicContact CB-CD1 4.2Å; Q58-F89 HydrophobicContact CB-CD2 4.27Å; Q58-F89 HydrophobicContact CB-CE1 3.72Å; Q58-F89 HydrophobicContact CB-CE2 3.79Å; Q58-F89 HydrophobicContact CB-CG 4.48Å; Q58-F89 HydrophobicContact CB-CZ 3.5Å; Q58-F89 VanDerWaalsContact CB-CZ 3.5Å; Q58-F89 HydrophobicContact CG-CE2 4.12Å; Q58-F89 HydrophobicContact CG-CZ 4.18Å; Q58-F89 PolarHBondContact N-O 3.14Å; Q58-F89 PolarHBondContact O-N 3.36Å
59C98.2Very high94.4Very high19 Ų1976 Ų7613%0.12839%0.387CS..EExtended strand (participates in β ladder)trans-132.1129.7179.3-169.20000110.4A42 K46 L87 L88A42-C59 HydrophobicContact CB-CB 4.35Å; K46-C59 HydrophobicContact CB-CB 4.09Å; C59-L87 CarbonylContact C-O 3.54Å; C59-L87 VanDerWaalsContact CA-O 3.3Å; C59-L87 WeakPolarHBondContact CA-O 3.36Å; C59-L88 HydrophobicContact CB-CD1 3.98Å
60I98.1Very high94.2Very high53 Ų5385.5 Ų85.527%0.27243%0.431SS..EExtended strand (participates in β ladder)trans-116.9132.6173.8-59.5173.1000107.3F65 L69 I86 L87 F89I60-F65 HydrophobicContact CG2-CD1 4.07Å; I60-F65 HydrophobicContact CG2-CD2 4.33Å; I60-F65 HydrophobicContact CG2-CE1 4.32Å; I60-F65 HydrophobicContact CG2-CG 4.07Å; I60-L69 HydrophobicContact CD1-CD1 4.21Å; I60-I86 CarbonylContact O-C 3.57Å; I60-I86 WeakPolarHBondContact O-CA 3.16Å; I60-L87 HydrophobicContact CB-CB 4.39Å; I60-L87 HydrophobicContact CD1-CD2 4.46Å; I60-L87 PolarHBondContact N-O 2.9Å; I60-L87 PolarHBondContact O-N 2.79Å; I60-F89 HydrophobicContact CD1-CE1 3.94Å; I60-F89 HydrophobicContact CD1-CZ 4.41Å; I60-F89 HydrophobicContact CG1-CE1 4.18Å
61V98.4Very high94Very high16 Ų1687.3 Ų87.310%0.09744%0.438CS..EExtended strand (participates in β ladder)trans-128.2133.7176.31780000107.6E38 I41 A42 T84 F85 I86E38-V61 HydrophobicContact CB-CB 4.29Å; E38-V61 HydrophobicContact CB-CG1 4Å; E38-V61 HydrophobicContact CG-CG1 4.16Å; I41-V61 HydrophobicContact CB-CG1 4.44Å; I41-V61 HydrophobicContact CB-CG2 4.42Å; I41-V61 HydrophobicContact CG2-CG1 4.21Å; I41-V61 HydrophobicContact CG2-CG2 3.94Å; A42-V61 HydrophobicContact CB-CB 4.21Å; A42-V61 HydrophobicContact CB-CG2 3.69Å; V61-T84 HydrophobicContact CG1-CG2 3.53Å; V61-F85 WeakPolarHBondContact CA-O 3.38Å; V61-I86 HydrophobicContact CG1-CG1 4.38Å; V61-I86 HydrophobicContact CG2-CB 4.48Å; V61-I86 HydrophobicContact CG2-CG1 4.03Å; V61-I86 HydrophobicContact CG2-CG2 4.1Å
62G97.5Very high93.8Very high5 Ų586.6 Ų86.65%0.05243%0.425CS..EExtended strand (participates in β ladder)trans-178.2155.7178.700000112.9E38 F85E38-G62 WeakPolarHBondContact OE1-CA 3.45Å; G62-F85 PolarHBondContact N-O 3.29Å; G62-F85 PolarHBondContact O-N 2.67Å
63K96.3Very high93.6Very high99 Ų9988.5 Ų88.543%0.4344%0.438SS..SBendtrans-69.3-36.1169.3-58.5-168.2-175.7-1550112.6E38 D83E38-K63 PolarHBondContact OE1-N 2.87Å; K63-D83 VanDerWaalsContact CE-OD2 3.28Å; K63-D83 WeakPolarHBondContact CE-OD2 3.47Å; K63-D83 IonicContact NZ-OD2 2.73Å; K63-D83 PolarHBondContact NZ-OD2 2.79Å
64H93.9Very high93.5Very high179 Ų17989.8 Ų89.883%0.82945%0.453SS*.SBendtrans-142124.7178.7-55.4-68.2000109.2
65F95.6Very high94Very high73 Ų7386 Ų8632%0.3243%0.432SS..  trans-149.6154.6169.362.3-98.3000109.5I60 L78 F85 L87I60-F65 HydrophobicContact CG2-CD1 4.07Å; I60-F65 HydrophobicContact CG2-CD2 4.33Å; I60-F65 HydrophobicContact CG2-CE1 4.32Å; I60-F65 HydrophobicContact CG2-CG 4.07Å; F65-L78 HydrophobicContact CZ-CD1 3.92Å; F65-F85 HydrophobicContact CD1-CB 4.37Å; F65-F85 HydrophobicContact CE1-CB 3.47Å; F65-F85 VanDerWaalsContact CE1-CB 3.47Å; F65-F85 HydrophobicContact CZ-CB 4.05Å; F65-L87 HydrophobicContact CE2-CB 4.19Å; F65-L87 HydrophobicContact CE2-CD2 4.31Å; F65-L87 HydrophobicContact CZ-CB 3.87Å
66D93.2Very high94.8Very high159 Ų15986.1 Ų86.185%0.8543%0.429SS*.  trans-132.7149165.7-162.4-0.9000107.7
67C89.8Confident95.1Very high51 Ų5176.7 Ų76.735%0.34539%0.392SS..  trans-152.5133.6-175.860.60000111.5L69C67-L69 HydrophobicContact CB-CD1 3.71Å; C67-L69 HydrophobicContact CB-CG 3.96Å
68S94.4Very high95.1Very high128 Ų12878.2 Ų78.290%0.89540%0.401SS*.  trans-108.1102.4167.2-169.90000107.7
69L91.7Very high95.2Very high81 Ų8174.1 Ų74.142%0.42438%0.381SS..  trans-136142.4-171.8-62.2167.3000109.5I60 C67 F71 F89I60-L69 HydrophobicContact CD1-CD1 4.21Å; C67-L69 HydrophobicContact CB-CD1 3.71Å; C67-L69 HydrophobicContact CB-CG 3.96Å; L69-F71 HydrophobicContact CB-CD1 4.38Å; L69-F89 HydrophobicContact CD1-CE1 4.19Å; L69-F89 HydrophobicContact CD1-CE2 4.12Å; L69-F89 HydrophobicContact CD1-CZ 3.6Å
70E93.4Very high95.1Very high200 Ų20078.3 Ų78.394%0.93540%0.395SS*.  trans-91.5128.1164.3-65.5-175.1-175.400108.8
71F92.4Very high95Very high64 Ų6475.9 Ų75.928%0.28138%0.382SS..  trans-152.6166.4179.965.4-91000110L69 L73 Y76 F89 R90L69-F71 HydrophobicContact CB-CD1 4.38Å; F71-L73 HydrophobicContact CE2-CD2 4.19Å; F71-L73 HydrophobicContact CZ-CD2 4.31Å; F71-L73 PolarHBondContact O-N 2.86Å; F71-L73 VanDerWaalsContact O-N 3.13Å; F71-Y76 HydrophobicContact CD2-CG 4.46Å; F71-Y76 AromaticContact CE2-CD1 3.68Å; F71-Y76 HydrophobicContact CE2-CD1 3.68Å; F71-Y76 HydrophobicContact CE2-CD2 4.28Å; F71-Y76 HydrophobicContact CE2-CE1 4.47Å; F71-Y76 AromaticContact CE2-CG 3.56Å; F71-Y76 HydrophobicContact CE2-CG 3.56Å; F71-Y76 HydrophobicContact CZ-CD1 4.48Å; F71-Y76 HydrophobicContact CZ-CG 4.23Å; F71-F89 HydrophobicContact CB-CB 4.45Å; F71-F89 HydrophobicContact CB-CD2 3.61Å; F71-F89 HydrophobicContact CB-CE2 4.32Å; F71-F89 HydrophobicContact CB-CG 4.42Å; F71-F89 HydrophobicContact CD2-CB 4.15Å; F71-F89 HydrophobicContact CG-CB 4.3Å; F71-F89 HydrophobicContact CG-CD2 4.09Å; F71-F89 HydrophobicContact CG-CG 4.49Å; F71-R90 WeakPolarHBondContact CB-O 3.32Å
72E93.4Very high94.6Very high70 Ų7080.1 Ų80.133%0.32740%0.402SS..  trans-69.5111.7178.1-73.1178.6-146.300111.3S74 R75 R90E72-S74 PolarHBondContact O-N 2.86Å; E72-R75 HydrophobicContact CB-CB 4.07Å; E72-R75 HydrophobicContact CB-CG 4.42Å; E72-R75 CarbonylContact O-C 3.53Å; E72-R75 PolarHBondContact O-N 3.12Å; E72-R75 WeakPolarHBondContact OE2-CD 3.26Å; E72-R75 IonicContact OE2-NE 3.09Å; E72-R75 PolarHBondContact OE2-NE 3.07Å; E72-R75 VanDerWaalsContact OE2-NE 3.09Å; E72-R90 PolarHBondContact N-O 2.79Å; E72-R90 IonicContact OE1-CZ 3.09Å; E72-R90 IonicContact OE1-NE 2.79Å; E72-R90 PolarHBondContact OE1-NE 3.09Å; E72-R90 IonicContact OE1-NH2 2.67Å; E72-R90 PolarHBondContact OE1-NH2 2.74Å; E72-R90 IonicContact OE2-CZ 3.26Å; E72-R90 VanDerWaalsContact OE2-CZ 3.26Å; E72-R90 IonicContact OE2-NE 3.12Å; E72-R90 PolarHBondContact OE2-NE 2.84Å; E72-R90 VanDerWaalsContact OE2-NE 3.12Å; E72-R90 IonicContact OE2-NH2 2.74Å; E72-R90 PolarHBondContact OE2-NH2 2.8Å
73L92.4Very high94.4Very high126 Ų12683.6 Ų83.666%0.6642%0.42SS*.THydrogen-bonded Turntrans-59.9-17.9-179.7-63.9179.8000113.8N15 F71 Y76N15-L73 VanDerWaalsContact CB-O 3.28Å; N15-L73 WeakPolarHBondContact CB-O 3.5Å; N15-L73 PolarHBondContact ND2-O 3.34Å; F71-L73 HydrophobicContact CE2-CD2 4.19Å; F71-L73 HydrophobicContact CZ-CD2 4.31Å; F71-L73 PolarHBondContact O-N 2.86Å; F71-L73 VanDerWaalsContact O-N 3.13Å; L73-Y76 VanDerWaalsContact O-CD1 3.32Å; L73-Y76 WeakPolarHBondContact O-CD1 3.39Å; L73-Y76 VanDerWaalsContact O-CE1 3.29Å; L73-Y76 WeakPolarHBondContact O-CE1 3.25Å
74S93.3Very high94.3Very high70 Ų7079.7 Ų79.749%0.4940%0.404SS..THydrogen-bonded Turntrans-90.13.6175.860.80000114.2N15 E72N15-S74 CarbonylContact O-C 3.2Å; E72-S74 PolarHBondContact O-N 2.86Å
75R95.3Very high94.5Very high79 Ų7974.2 Ų74.230%0.29838%0.378SS..SBendtrans-144.262.9-172.5-65-167.9-165.5-81.8-2.7111.9W57 E72 F89 R90W57-R75 HydrophobicContact CH2-CB 3.63Å; W57-R75 HydrophobicContact CH2-CG 4.26Å; W57-R75 HydrophobicContact CZ2-CB 4.36Å; W57-R75 HydrophobicContact CZ3-CB 4.13Å; W57-R75 VanDerWaalsContact CZ3-O 3.26Å; W57-R75 WeakPolarHBondContact CZ3-O 3.42Å; E72-R75 HydrophobicContact CB-CB 4.07Å; E72-R75 HydrophobicContact CB-CG 4.42Å; E72-R75 CarbonylContact O-C 3.53Å; E72-R75 PolarHBondContact O-N 3.12Å; E72-R75 WeakPolarHBondContact OE2-CD 3.26Å; E72-R75 IonicContact OE2-NE 3.09Å; E72-R75 PolarHBondContact OE2-NE 3.07Å; E72-R75 VanDerWaalsContact OE2-NE 3.09Å; R75-F89 WeakPolarHBondContact O-CA 3.29Å; R75-R90 HydrophobicContact CB-CB 3.95Å; R75-R90 PolarHBondContact O-N 2.98Å
76Y97.4Very high94.7Very high50 Ų5070.7 Ų70.720%0.19636%0.363CS..EExtended strand (participates in β ladder)trans-148.1155174.380.7-80.2000113.3K13 N15 F71 L73 L88K13-Y76 HydrophobicContact CB-CE2 3.83Å; N15-Y76 HydrophobicContact CB-CD1 3.84Å; N15-Y76 HydrophobicContact CB-CE1 3.49Å; N15-Y76 VanDerWaalsContact CB-CE1 3.49Å; N15-Y76 PolarHBondContact N-O 2.87Å; F71-Y76 HydrophobicContact CD2-CG 4.46Å; F71-Y76 AromaticContact CE2-CD1 3.68Å; F71-Y76 HydrophobicContact CE2-CD1 3.68Å; F71-Y76 HydrophobicContact CE2-CD2 4.28Å; F71-Y76 HydrophobicContact CE2-CE1 4.47Å; F71-Y76 AromaticContact CE2-CG 3.56Å; F71-Y76 HydrophobicContact CE2-CG 3.56Å; F71-Y76 HydrophobicContact CZ-CD1 4.48Å; F71-Y76 HydrophobicContact CZ-CG 4.23Å; L73-Y76 VanDerWaalsContact O-CD1 3.32Å; L73-Y76 WeakPolarHBondContact O-CD1 3.39Å; L73-Y76 VanDerWaalsContact O-CE1 3.29Å; L73-Y76 WeakPolarHBondContact O-CE1 3.25Å; Y76-L88 CarbonylContact C-O 3.58Å; Y76-L88 WeakPolarHBondContact CA-O 3.28Å
77I98Very high94.9Very high0 Ų063.9 Ų63.90%033%0.326CS..EExtended strand (participates in β ladder)trans-147.8133.4169.8-170.3169.4000110.7I11 K13 C14 L16 Q21 V24 L79 L88I11-I77 HydrophobicContact CD1-CD1 4.29Å; I11-I77 HydrophobicContact CG1-CD1 4.27Å; I11-I77 HydrophobicContact CG2-CD1 4.45Å; I11-I77 HydrophobicContact CG2-CG1 4.41Å; K13-I77 WeakPolarHBondContact O-CA 3.39Å; C14-I77 HydrophobicContact CB-CD1 4.29Å; C14-I77 HydrophobicContact CB-CG1 3.96Å; L16-I77 HydrophobicContact CD1-CB 3.73Å; L16-I77 HydrophobicContact CD1-CG2 3.57Å; L16-I77 HydrophobicContact CG-CB 4.28Å; Q21-I77 HydrophobicContact CB-CD1 4.47Å; Q21-I77 HydrophobicContact CG-CD1 4.18Å; V24-I77 HydrophobicContact CG1-CD1 3.85Å; V24-I77 HydrophobicContact CG1-CG2 4.22Å; V24-I77 HydrophobicContact CG2-CG2 4.45Å; I77-L79 HydrophobicContact CD1-CD1 4.5Å; I77-L79 HydrophobicContact CD1-CD2 3.58Å; I77-L79 HydrophobicContact CD1-CG 4.13Å; I77-L79 HydrophobicContact CG1-CD2 3.81Å; I77-L79 HydrophobicContact CG1-CG 4.01Å; I77-L88 HydrophobicContact CG2-CB 3.89Å; I77-L88 HydrophobicContact CG2-CD2 4.34Å; I77-L88 PolarHBondContact N-O 2.87Å; I77-L88 PolarHBondContact O-N 3.27Å
78L97.8Very high95.3Very high33 Ų3361.5 Ų61.517%0.17331%0.31CS..EExtended strand (participates in β ladder)trans-109.3120.3170.1178.863.6000108.7I12 K13 F65 F85 I86 L87I12-L78 HydrophobicContact CB-CB 4.46Å; I12-L78 HydrophobicContact CB-CD2 4.08Å; I12-L78 HydrophobicContact CB-CG 4.05Å; I12-L78 HydrophobicContact CG2-CD2 3.98Å; I12-L78 PolarHBondContact N-O 3.43Å; K13-L78 HydrophobicContact CB-CB 4.31Å; K13-L78 PolarHBondContact N-O 3.03Å; K13-L78 PolarHBondContact O-N 3.33Å; F65-L78 HydrophobicContact CZ-CD1 3.92Å; L78-F85 HydrophobicContact CD1-CB 4.48Å; L78-F85 HydrophobicContact CD1-CD1 4.33Å; L78-I86 WeakPolarHBondContact CA-O 3.49Å; L78-L87 HydrophobicContact CB-CD1 4.15Å; L78-L87 HydrophobicContact CD1-CB 4.14Å; L78-L87 HydrophobicContact CD1-CD1 4.35Å
79L98Very high95.4Very high1 Ų156.1 Ų56.11%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-114.7153.3179.8-58.3169.9000110.3V9 L10 I11 V24 V28 I77 F85 I86V9-L79 HydrophobicContact CG1-CB 4.21Å; V9-L79 HydrophobicContact CG1-CD1 4.22Å; V9-L79 HydrophobicContact CG1-CD2 4.22Å; V9-L79 HydrophobicContact CG1-CG 4.45Å; L10-L79 CarbonylContact O-C 3.57Å; L10-L79 VanDerWaalsContact O-CA 3.25Å; L10-L79 WeakPolarHBondContact O-CA 3.29Å; I11-L79 HydrophobicContact CB-CD2 4.27Å; I11-L79 HydrophobicContact CG1-CD2 3.61Å; V24-L79 HydrophobicContact CG1-CD1 4.09Å; V24-L79 HydrophobicContact CG2-CD1 3.94Å; V28-L79 HydrophobicContact CG2-CD1 3.76Å; I77-L79 HydrophobicContact CD1-CD1 4.5Å; I77-L79 HydrophobicContact CD1-CD2 3.58Å; I77-L79 HydrophobicContact CD1-CG 4.13Å; I77-L79 HydrophobicContact CG1-CD2 3.81Å; I77-L79 HydrophobicContact CG1-CG 4.01Å; L79-F85 WeakPolarHBondContact O-CA 3.28Å; L79-I86 HydrophobicContact CB-CB 4.32Å; L79-I86 PolarHBondContact N-O 2.88Å; L79-I86 PolarHBondContact O-N 2.76Å
80R96.9Very high95.5Very high108 Ų10856.1 Ų56.141%0.40827%0.265SS..EExtended strand (participates in β ladder)trans-122.6130.7165.9-177.6-177.2168.8-164.3-1.8109.3V9 L10 I12 M82 T84 F85V9-R80 WeakPolarHBondContact CA-O 3.38Å; L10-R80 PolarHBondContact N-O 3.19Å; L10-R80 PolarHBondContact O-N 3.34Å; I12-R80 HydrophobicContact CD1-CB 3.94Å; I12-R80 HydrophobicContact CG1-CB 3.96Å; R80-M82 PolarHBondContact NE-O 2.96Å; R80-M82 PolarHBondContact NH2-O 2.95Å; R80-M82 VanDerWaalsContact NH2-O 3.09Å; R80-T84 WeakPolarHBondContact CA-O 3.32Å; R80-F85 HydrophobicContact CB-CD1 4.08Å; R80-F85 HydrophobicContact CB-CE1 3.97Å; R80-F85 HydrophobicContact CG-CD1 4.37Å; R80-F85 HydrophobicContact CG-CE1 4.08Å; R80-F85 HydrophobicContact CG-CZ 4.27Å
81A95.9Very high95.6Very high2 Ų248.9 Ų48.92%0.01723%0.231CC..EExtended strand (participates in β ladder)trans-127.7113170.100000108.2V9 V28 L32 D83 T84 I86V9-A81 HydrophobicContact CG2-CB 4.27Å; V28-A81 HydrophobicContact CG1-CB 4.3Å; L32-A81 HydrophobicContact CD1-CB 3.52Å; A81-D83 PolarHBondContact O-N 3.22Å; A81-D83 VanDerWaalsContact O-N 3.14Å; A81-T84 PolarHBondContact N-O 2.98Å; A81-T84 PolarHBondContact O-N 3.13Å; A81-I86 HydrophobicContact CB-CD1 4.21Å
82M91.1Very high95.8Very high105 Ų10548.1 Ų48.152%0.51723%0.229SC..THydrogen-bonded Turntrans55.3-111.2-171.9-59.3177.160.700112.8I4 R80I4-M82 HydrophobicContact CD1-CG 4.39Å; I4-M82 HydrophobicContact CD1-SD 3.7Å; I4-M82 HydrophobicContact CG1-CG 4.34Å; I4-M82 HydrophobicContact CG1-SD 3.63Å; R80-M82 PolarHBondContact NE-O 2.96Å; R80-M82 PolarHBondContact NH2-O 2.95Å; R80-M82 VanDerWaalsContact NH2-O 3.09Å
83D91.9Very high95.9Very high77 Ų7746.9 Ų46.941%0.41222%0.223SC..THydrogen-bonded Turntrans-104.46178.166.9-24.3000112.8K63 A81K63-D83 VanDerWaalsContact CE-OD2 3.28Å; K63-D83 WeakPolarHBondContact CE-OD2 3.47Å; K63-D83 IonicContact NZ-OD2 2.73Å; K63-D83 PolarHBondContact NZ-OD2 2.79Å; A81-D83 PolarHBondContact O-N 3.22Å; A81-D83 VanDerWaalsContact O-N 3.14Å
84T95.5Very high96.1Very high17 Ų1742.2 Ų42.210%0.10420%0.197CC..EExtended strand (participates in β ladder)trans-107.8134.1-177.8-57.10000110.9V61 R80 A81 I86V61-T84 HydrophobicContact CG1-CG2 3.53Å; R80-T84 WeakPolarHBondContact CA-O 3.32Å; A81-T84 PolarHBondContact N-O 2.98Å; A81-T84 PolarHBondContact O-N 3.13Å; T84-I86 HydrophobicContact CG2-CD1 4.22Å
85F98Very high96.3Very high64 Ų6440.5 Ų40.528%0.28118%0.179SC..EExtended strand (participates in β ladder)trans-100.4143.8170.8-70.9-88.9000110.5I12 V61 G62 F65 L78 L79 R80I12-F85 HydrophobicContact CG1-CE1 4.35Å; V61-F85 WeakPolarHBondContact CA-O 3.38Å; G62-F85 PolarHBondContact N-O 3.29Å; G62-F85 PolarHBondContact O-N 2.67Å; F65-F85 HydrophobicContact CD1-CB 4.37Å; F65-F85 HydrophobicContact CE1-CB 3.47Å; F65-F85 VanDerWaalsContact CE1-CB 3.47Å; F65-F85 HydrophobicContact CZ-CB 4.05Å; L78-F85 HydrophobicContact CD1-CB 4.48Å; L78-F85 HydrophobicContact CD1-CD1 4.33Å; L79-F85 WeakPolarHBondContact O-CA 3.28Å; R80-F85 HydrophobicContact CB-CD1 4.08Å; R80-F85 HydrophobicContact CB-CE1 3.97Å; R80-F85 HydrophobicContact CG-CD1 4.37Å; R80-F85 HydrophobicContact CG-CE1 4.08Å; R80-F85 HydrophobicContact CG-CZ 4.27Å
86I98.4Very high96.3Very high0 Ų037.9 Ų37.90%017%0.171CC..EExtended strand (participates in β ladder)trans-130.1114.8177.8-56.192000108V28 I45 I60 V61 L78 L79 A81 T84V28-I86 HydrophobicContact CG1-CD1 4.18Å; V28-I86 HydrophobicContact CG2-CG2 4.42Å; I45-I86 HydrophobicContact CD1-CG2 4Å; I60-I86 CarbonylContact O-C 3.57Å; I60-I86 WeakPolarHBondContact O-CA 3.16Å; V61-I86 HydrophobicContact CG1-CG1 4.38Å; V61-I86 HydrophobicContact CG2-CB 4.48Å; V61-I86 HydrophobicContact CG2-CG1 4.03Å; V61-I86 HydrophobicContact CG2-CG2 4.1Å; L78-I86 WeakPolarHBondContact CA-O 3.49Å; L79-I86 HydrophobicContact CB-CB 4.32Å; L79-I86 PolarHBondContact N-O 2.88Å; L79-I86 PolarHBondContact O-N 2.76Å; A81-I86 HydrophobicContact CB-CD1 4.21Å; T84-I86 HydrophobicContact CG2-CD1 4.22Å
87L98.2Very high96.3Very high15 Ų1537.1 Ų37.18%0.07917%0.169CC..EExtended strand (participates in β ladder)trans-102.7122.8170.6-178.865.9000108.6C59 I60 F65 L78 F89C59-L87 CarbonylContact C-O 3.54Å; C59-L87 VanDerWaalsContact CA-O 3.3Å; C59-L87 WeakPolarHBondContact CA-O 3.36Å; I60-L87 HydrophobicContact CB-CB 4.39Å; I60-L87 HydrophobicContact CD1-CD2 4.46Å; I60-L87 PolarHBondContact N-O 2.9Å; I60-L87 PolarHBondContact O-N 2.79Å; F65-L87 HydrophobicContact CE2-CB 4.19Å; F65-L87 HydrophobicContact CE2-CD2 4.31Å; F65-L87 HydrophobicContact CZ-CB 3.87Å; L78-L87 HydrophobicContact CB-CD1 4.15Å; L78-L87 HydrophobicContact CD1-CB 4.14Å; L78-L87 HydrophobicContact CD1-CD1 4.35Å; L87-F89 HydrophobicContact CD2-CD1 3.94Å; L87-F89 HydrophobicContact CD2-CE1 4.12Å; L87-F89 HydrophobicContact CG-CD1 3.81Å; L87-F89 HydrophobicContact CG-CE1 4.35Å
88L98.1Very high96.1Very high1 Ų139.9 Ų39.91%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-120.4123.4172.7178.973.4000108V24 I45 F49 W57 Q58 C59 Y76 I77V24-L88 HydrophobicContact CB-CD2 4.25Å; V24-L88 HydrophobicContact CG2-CD2 3.56Å; I45-L88 HydrophobicContact CG2-CD1 4.23Å; I45-L88 HydrophobicContact CG2-CD2 4.35Å; F49-L88 HydrophobicContact CB-CD2 4.43Å; F49-L88 HydrophobicContact CD1-CD2 3.86Å; F49-L88 HydrophobicContact CD2-CD2 3.81Å; F49-L88 HydrophobicContact CE1-CD2 3.93Å; F49-L88 HydrophobicContact CE2-CD2 3.9Å; F49-L88 HydrophobicContact CG-CD2 3.78Å; F49-L88 HydrophobicContact CZ-CD2 3.94Å; W57-L88 HydrophobicContact CB-CD1 4.01Å; W57-L88 HydrophobicContact CE3-CD1 4.27Å; W57-L88 HydrophobicContact CE3-CD2 4.42Å; W57-L88 HydrophobicContact CE3-CG 3.86Å; W57-L88 HydrophobicContact CZ3-CG 4.44Å; Q58-L88 WeakPolarHBondContact O-CA 3.48Å; Q58-L88 WeakPolarHBondContact O-CD1 3.31Å; C59-L88 HydrophobicContact CB-CD1 3.98Å; Y76-L88 CarbonylContact C-O 3.58Å; Y76-L88 WeakPolarHBondContact CA-O 3.28Å; I77-L88 HydrophobicContact CG2-CB 3.89Å; I77-L88 HydrophobicContact CG2-CD2 4.34Å; I77-L88 PolarHBondContact N-O 2.87Å; I77-L88 PolarHBondContact O-N 3.27Å
89F96.9Very high96Very high16 Ų1640.5 Ų40.57%0.0718%0.183CC..EExtended strand (participates in β ladder)trans-147.6160-174.964.2-79.5000111.5W57 Q58 I60 L69 F71 R75 L87W57-F89 WeakPolarHBondContact CA-O 3.46Å; Q58-F89 HydrophobicContact CB-CD1 4.2Å; Q58-F89 HydrophobicContact CB-CD2 4.27Å; Q58-F89 HydrophobicContact CB-CE1 3.72Å; Q58-F89 HydrophobicContact CB-CE2 3.79Å; Q58-F89 HydrophobicContact CB-CG 4.48Å; Q58-F89 HydrophobicContact CB-CZ 3.5Å; Q58-F89 VanDerWaalsContact CB-CZ 3.5Å; Q58-F89 HydrophobicContact CG-CE2 4.12Å; Q58-F89 HydrophobicContact CG-CZ 4.18Å; Q58-F89 PolarHBondContact N-O 3.14Å; Q58-F89 PolarHBondContact O-N 3.36Å; I60-F89 HydrophobicContact CD1-CE1 3.94Å; I60-F89 HydrophobicContact CD1-CZ 4.41Å; I60-F89 HydrophobicContact CG1-CE1 4.18Å; L69-F89 HydrophobicContact CD1-CE1 4.19Å; L69-F89 HydrophobicContact CD1-CE2 4.12Å; L69-F89 HydrophobicContact CD1-CZ 3.6Å; F71-F89 HydrophobicContact CB-CB 4.45Å; F71-F89 HydrophobicContact CB-CD2 3.61Å; F71-F89 HydrophobicContact CB-CE2 4.32Å; F71-F89 HydrophobicContact CB-CG 4.42Å; F71-F89 HydrophobicContact CD2-CB 4.15Å; F71-F89 HydrophobicContact CG-CB 4.3Å; F71-F89 HydrophobicContact CG-CD2 4.09Å; F71-F89 HydrophobicContact CG-CG 4.49Å; R75-F89 WeakPolarHBondContact O-CA 3.29Å; L87-F89 HydrophobicContact CD2-CD1 3.94Å; L87-F89 HydrophobicContact CD2-CE1 4.12Å; L87-F89 HydrophobicContact CG-CD1 3.81Å; L87-F89 HydrophobicContact CG-CE1 4.35Å
90R93.1Very high95.8Very high80 Ų8044.1 Ų44.130%0.30220%0.199SC..  trans-106.60169-169.7171.490.2167.83.7110.1N55 W57 F71 E72 R75N55-R90 VanDerWaalsContact CG-NH1 3.31Å; N55-R90 PolarHBondContact OD1-NH1 3.07Å; W57-R90 HydrophobicContact CD2-CB 4.26Å; W57-R90 HydrophobicContact CE3-CB 4.18Å; W57-R90 HydrophobicContact CH2-CB 4.43Å; W57-R90 HydrophobicContact CZ2-CB 4.49Å; W57-R90 HydrophobicContact CZ3-CB 4.28Å; F71-R90 WeakPolarHBondContact CB-O 3.32Å; E72-R90 PolarHBondContact N-O 2.79Å; E72-R90 IonicContact OE1-CZ 3.09Å; E72-R90 IonicContact OE1-NE 2.79Å; E72-R90 PolarHBondContact OE1-NE 3.09Å; E72-R90 IonicContact OE1-NH2 2.67Å; E72-R90 PolarHBondContact OE1-NH2 2.74Å; E72-R90 IonicContact OE2-CZ 3.26Å; E72-R90 VanDerWaalsContact OE2-CZ 3.26Å; E72-R90 IonicContact OE2-NE 3.12Å; E72-R90 PolarHBondContact OE2-NE 2.84Å; E72-R90 VanDerWaalsContact OE2-NE 3.12Å; E72-R90 IonicContact OE2-NH2 2.74Å; E72-R90 PolarHBondContact OE2-NH2 2.8Å; R75-R90 HydrophobicContact CB-CB 3.95Å; R75-R90 PolarHBondContact O-N 2.98Å

Retrieved 90 of 90 residues in 245.3 ms (Link to these results)

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