A0A3Q0KUJ4_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A3Q0KUJ4, 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
1M39.3Very low76.7Confident230 Ų230124.7 Ų124.7100%1.13361%0.612SS**  0108.30-75.2-168.9-90.800106.7H3M1-H3 PolarHBondContact O-N 2.88Å
2M49.8Very low78.5Confident135 Ų135117.2 Ų117.267%0.66559%0.585SS**  trans-66.7111.9168.2-86.5164.6152.900106.7E4 E31M2-E4 VanDerWaalsContact C-N 3.25Å; M2-E4 PolarHBondContact O-N 3.21Å; M2-E31 VanDerWaalsContact CE-CD 3.49Å; M2-E31 HydrophobicContact CE-CG 4.46Å; M2-E31 WeakPolarHBondContact CE-OE1 3.34Å
3H56Low80.1Confident154 Ų154112.7 Ų112.771%0.71356%0.564SS**  trans-67.8100.6153.7-76.4-71.3000104.9M1 H5M1-H3 PolarHBondContact O-N 2.88Å; H3-H5 PolarHBondContact O-N 3.05Å
4E58.3Low81.4Confident181 Ų181105.9 Ų105.985%0.84653%0.53SS*.  trans-61.884169-75.8-176.3168.500107.3M2 K6M2-E4 VanDerWaalsContact C-N 3.25Å; M2-E4 PolarHBondContact O-N 3.21Å; E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 2.73Å
5H68.6Low82.5Confident110 Ų110103.2 Ų103.251%0.50953%0.525SS..  trans-66.399.3169.1-69.2-58.3000106.1H3 A7 L79H3-H5 PolarHBondContact O-N 3.05Å; H5-A7 PolarHBondContact O-N 3.42Å; H5-A7 VanDerWaalsContact O-N 3.12Å; H5-L79 WeakPolarHBondContact O-CD2 3.37Å
6K86.7Confident83.4Confident183 Ų183104.7 Ų104.780%0.79654%0.535SS*.  trans-50.3122.2174.7-179.3178.1179.1177.90108.7E4 V8E4-K6 VanDerWaalsContact C-N 3.28Å; E4-K6 PolarHBondContact O-N 2.73Å; K6-V8 PolarHBondContact O-N 2.93Å
7A95.2Very high84.3Confident29 Ų29106.6 Ų106.624%0.2455%0.547CS..  trans-61133.5175.300000110.4H5 V23 Y78 L79H5-A7 PolarHBondContact O-N 3.42Å; H5-A7 VanDerWaalsContact O-N 3.12Å; A7-V23 HydrophobicContact CB-CB 4.32Å; A7-V23 HydrophobicContact CB-CG1 3.57Å; A7-V23 HydrophobicContact CB-CG2 3.69Å; A7-Y78 WeakPolarHBondContact CA-O 3.18Å; A7-L79 HydrophobicContact CB-CD2 3.74Å
8V97.2Very high85.1Confident66 Ų66101.9 Ų101.940%0.452%0.522SS..EExtended strand (participates in β ladder)trans-114.295.9172.7-177.30000107.9K6 K10 F77 Y78K6-V8 PolarHBondContact O-N 2.93Å; V8-K10 HydrophobicContact CG1-CD 4.18Å; V8-K10 PolarHBondContact O-N 3.39Å; V8-F77 CarbonylContact O-C 3.57Å; V8-F77 VanDerWaalsContact O-CA 3.31Å; V8-F77 WeakPolarHBondContact O-CA 3.48Å; V8-Y78 PolarHBondContact N-O 3.12Å; V8-Y78 PolarHBondContact O-N 3.17Å
9V97.9Very high85.8Confident61 Ų6198.5 Ų98.537%0.3750%0.504SS..EExtended strand (participates in β ladder)trans-69.8126.2173.4-175.90000108.9A12 I75 F77V9-A12 HydrophobicContact CG1-CB 4.04Å; V9-I75 HydrophobicContact CG1-CG1 4.32Å; V9-I75 HydrophobicContact CG2-CD1 4.47Å; V9-F77 HydrophobicContact CB-CB 4.4Å; V9-F77 HydrophobicContact CG2-CB 4.14Å
10K97.5Very high86.4Confident128 Ų12898.8 Ų98.856%0.55750%0.503SS*.EExtended strand (participates in β ladder)trans-102.1-37.3-179.6-66.2-60.7-174.3-178.10111.8V8 Y76 Y78V8-K10 HydrophobicContact CG1-CD 4.18Å; V8-K10 PolarHBondContact O-N 3.39Å; K10-Y76 HydrophobicContact CB-CD1 3.49Å; K10-Y76 VanDerWaalsContact CB-CD1 3.49Å; K10-Y76 HydrophobicContact CB-CE1 3.78Å; K10-Y76 HydrophobicContact CB-CG 4.44Å; K10-Y76 HydrophobicContact CG-CD1 4.19Å; K10-Y76 HydrophobicContact CG-CE1 4.02Å; K10-Y76 PolarHBondContact N-O 3.04Å; K10-Y78 HydrophobicContact CG-CD2 3.83Å; K10-Y78 HydrophobicContact CG-CE2 4.05Å
11N97.7Very high87Confident95 Ų9595.8 Ų95.851%0.50849%0.488SS..EExtended strand (participates in β ladder)trans-154.5143.7175.1-167.59.9000109.4F74 Y76N11-F74 HydrophobicContact CB-CE1 4.14Å; N11-Y76 PolarHBondContact N-O 2.84Å; N11-Y76 VanDerWaalsContact N-O 3.12Å; N11-Y76 PolarHBondContact O-N 3.31Å
12A98.2Very high89.8Confident34 Ų3484.9 Ų84.928%0.28143%0.434SS..EExtended strand (participates in β ladder)trans-15313917700000110.4V9 Q19 F74 I75V9-A12 HydrophobicContact CG1-CB 4.04Å; A12-Q19 HydrophobicContact CB-CG 4.15Å; A12-F74 CarbonylContact C-O 3.51Å; A12-F74 WeakPolarHBondContact CA-O 3.48Å; A12-I75 HydrophobicContact CB-CG1 4.08Å
13D98.4Very high92.1Very high59 Ų5979.1 Ų79.132%0.31641%0.407SS..EExtended strand (participates in β ladder)trans-127.683.4161.7175.427.9000106.6H69 K72 H73 F74D13-H69 IonicContact OD2-NE2 3.88Å; D13-K72 VanDerWaalsContact CG-N 3.31Å; D13-K72 CarbonylContact O-C 3.54Å; D13-K72 WeakPolarHBondContact O-CA 3.43Å; D13-K72 PolarHBondContact OD1-N 2.99Å; D13-K72 PolarHBondContact OD2-N 2.83Å; D13-H73 PolarHBondContact O-N 3.38Å; D13-F74 CarbonylContact C-O 2.85Å; D13-F74 HydrophobicContact CB-CB 4.33Å; D13-F74 PolarHBondContact N-O 2.85Å; D13-F74 PolarHBondContact O-N 2.79Å
14M98.2Very high94.1Very high18 Ų1875.8 Ų75.89%0.08939%0.394CS..SBendtrans-171.5168.817552.7168.151.400109.7M18 Q19 W55 K72 I75M14-M18 HydrophobicContact CB-CB 4.35Å; M14-M18 HydrophobicContact CB-CG 4.47Å; M14-M18 HydrophobicContact CB-SD 3.99Å; M14-M18 HydrophobicContact CE-CG 3.86Å; M14-M18 HydrophobicContact CE-SD 3.6Å; M14-M18 VanDerWaalsContact CE-SD 3.6Å; M14-M18 HydrophobicContact SD-CB 3.99Å; M14-M18 HydrophobicContact SD-CG 3.74Å; M14-M18 HydrophobicContact SD-SD 4.14Å; M14-Q19 HydrophobicContact CG-CG 3.53Å; M14-Q19 PolarHBondContact O-NE2 3.4Å; M14-Q19 HydrophobicContact SD-CB 4.41Å; M14-Q19 HydrophobicContact SD-CG 3.79Å; M14-W55 HydrophobicContact CE-CH2 3.95Å; M14-W55 HydrophobicContact CE-CZ3 4.04Å; M14-K72 WeakPolarHBondContact CA-O 2.77Å; M14-K72 VanDerWaalsContact CB-O 3.3Å; M14-K72 WeakPolarHBondContact CB-O 3.31Å; M14-I75 HydrophobicContact CE-CB 4.14Å; M14-I75 HydrophobicContact CE-CG2 4.01Å; M14-I75 HydrophobicContact CG-CB 4.45Å; M14-I75 HydrophobicContact SD-CB 3.8Å; M14-I75 HydrophobicContact SD-CD1 4.33Å; M14-I75 HydrophobicContact SD-CG2 3.99Å
15S98.2Very high96Very high65 Ų6567.6 Ų67.646%0.45536%0.357SS..  trans-67.9152.8177.560.70000112.4D17 M18 Q19S15-D17 VanDerWaalsContact C-N 3.25Å; S15-D17 PolarHBondContact O-N 3.18Å; S15-M18 PolarHBondContact O-N 3.38Å; S15-M18 WeakPolarHBondContact OG-CB 3.39Å; S15-M18 PolarHBondContact OG-N 2.88Å; S15-Q19 WeakPolarHBondContact O-CG 3.47Å; S15-Q19 PolarHBondContact O-N 3.45Å
16D97.9Very high97.4Very high127 Ų12762.3 Ų62.368%0.67933%0.332SS*.Hα-helixtrans-56.1-39.8178.1-64.4-16.5000112.3M18 Q19 Q20D16-M18 VanDerWaalsContact C-N 3.32Å; D16-M18 PolarHBondContact O-N 3.4Å; D16-Q19 WeakPolarHBondContact O-CB 3.38Å; D16-Q19 PolarHBondContact O-N 3.2Å; D16-Q19 PolarHBondContact OD1-NE2 2.86Å; D16-Q20 PolarHBondContact O-N 2.92Å
17D98.3Very high97.9Very high138 Ų13855.3 Ų55.374%0.73831%0.309SS*.Hα-helixtrans-60.6-40.3175.2-66.7-17.3000112.2S15 D21S15-D17 VanDerWaalsContact C-N 3.25Å; S15-D17 PolarHBondContact O-N 3.18Å; D17-D21 WeakPolarHBondContact O-CB 3.27Å; D17-D21 PolarHBondContact O-N 3.36Å
18M98.6Very high98Very high21 Ų2157.9 Ų57.910%0.10332%0.316CS..Hα-helixtrans-73.7-32.9178.1-168.9-179.6-66.800111.3M14 S15 D16 D21 A22 F47 Y51 W55M14-M18 HydrophobicContact CB-CB 4.35Å; M14-M18 HydrophobicContact CB-CG 4.47Å; M14-M18 HydrophobicContact CB-SD 3.99Å; M14-M18 HydrophobicContact CE-CG 3.86Å; M14-M18 HydrophobicContact CE-SD 3.6Å; M14-M18 VanDerWaalsContact CE-SD 3.6Å; M14-M18 HydrophobicContact SD-CB 3.99Å; M14-M18 HydrophobicContact SD-CG 3.74Å; M14-M18 HydrophobicContact SD-SD 4.14Å; S15-M18 PolarHBondContact O-N 3.38Å; S15-M18 WeakPolarHBondContact OG-CB 3.39Å; S15-M18 PolarHBondContact OG-N 2.88Å; D16-M18 VanDerWaalsContact C-N 3.32Å; D16-M18 PolarHBondContact O-N 3.4Å; M18-D21 PolarHBondContact O-N 3.23Å; M18-A22 WeakPolarHBondContact O-CB 3.31Å; M18-A22 PolarHBondContact O-N 3.36Å; M18-F47 HydrophobicContact CG-CE1 4.13Å; M18-Y51 HydrophobicContact CE-CD1 3.66Å; M18-Y51 HydrophobicContact CE-CE1 3.75Å; M18-Y51 HydrophobicContact CE-CG 4.18Å; M18-Y51 HydrophobicContact CG-CE1 4.42Å; M18-Y51 HydrophobicContact CG-CE2 4.25Å; M18-W55 HydrophobicContact SD-CH2 3.8Å; M18-W55 HydrophobicContact SD-CZ2 4.26Å
19Q98.6Very high98Very high38 Ų3854.7 Ų54.718%0.17830%0.297CS..Hα-helixtrans-63.7-46.1173-64.2179.847.200111.1A12 M14 S15 D16 D21 A22 V23 I75A12-Q19 HydrophobicContact CB-CG 4.15Å; M14-Q19 HydrophobicContact CG-CG 3.53Å; M14-Q19 PolarHBondContact O-NE2 3.4Å; M14-Q19 HydrophobicContact SD-CB 4.41Å; M14-Q19 HydrophobicContact SD-CG 3.79Å; S15-Q19 WeakPolarHBondContact O-CG 3.47Å; S15-Q19 PolarHBondContact O-N 3.45Å; D16-Q19 WeakPolarHBondContact O-CB 3.38Å; D16-Q19 PolarHBondContact O-N 3.2Å; D16-Q19 PolarHBondContact OD1-NE2 2.86Å; Q19-D21 VanDerWaalsContact C-N 3.32Å; Q19-D21 PolarHBondContact O-N 3.12Å; Q19-A22 WeakPolarHBondContact O-CB 3.43Å; Q19-A22 PolarHBondContact O-N 3.24Å; Q19-V23 WeakPolarHBondContact O-CG2 3.43Å; Q19-V23 PolarHBondContact O-N 3.2Å; Q19-I75 HydrophobicContact CB-CD1 3.85Å; Q19-I75 HydrophobicContact CG-CD1 3.92Å
20Q98Very high98Very high104 Ų10454.5 Ų54.549%0.48629%0.293SS..Hα-helixtrans-61.7-43.3177.5-172.759.553.300110.9D16 A22 V23 D24D16-Q20 PolarHBondContact O-N 2.92Å; Q20-A22 VanDerWaalsContact C-N 3.31Å; Q20-A22 PolarHBondContact O-N 3.39Å; Q20-V23 PolarHBondContact O-N 3.21Å; Q20-D24 PolarHBondContact NE2-OD1 2.87Å; Q20-D24 WeakPolarHBondContact O-CB 3.43Å; Q20-D24 VanDerWaalsContact O-CG 3.23Å; Q20-D24 PolarHBondContact O-N 3Å
21D98.3Very high97.9Very high36 Ų3654.2 Ų54.219%0.19329%0.294CS..Hα-helixtrans-62.9-35.4176.5-166.452.3000112.9D17 M18 Q19 C25 K50 Y51D17-D21 WeakPolarHBondContact O-CB 3.27Å; D17-D21 PolarHBondContact O-N 3.36Å; M18-D21 PolarHBondContact O-N 3.23Å; Q19-D21 VanDerWaalsContact C-N 3.32Å; Q19-D21 PolarHBondContact O-N 3.12Å; D21-C25 WeakPolarHBondContact O-CB 3.37Å; D21-C25 PolarHBondContact O-N 2.84Å; D21-K50 IonicContact OD1-NZ 2.74Å; D21-K50 PolarHBondContact OD1-NZ 3.46Å; D21-K50 WeakPolarHBondContact OD2-CD 3.14Å; D21-K50 VanDerWaalsContact OD2-CE 3.27Å; D21-K50 WeakPolarHBondContact OD2-CE 3.47Å; D21-K50 IonicContact OD2-NZ 3.62Å; D21-K50 PolarHBondContact OD2-NZ 3.45Å; D21-Y51 WeakPolarHBondContact OD2-CE2 3.4Å; D21-Y51 VanDerWaalsContact OD2-CZ 3.25Å; D21-Y51 PolarHBondContact OD2-OH 3.24Å
22A98.7Very high97.8Very high0 Ų055 Ų550%029%0.292CS..Hα-helixtrans-65.8-42.1174.300000111.8M18 Q19 Q20 A26 F47 I75 F77 L86M18-A22 WeakPolarHBondContact O-CB 3.31Å; M18-A22 PolarHBondContact O-N 3.36Å; Q19-A22 WeakPolarHBondContact O-CB 3.43Å; Q19-A22 PolarHBondContact O-N 3.24Å; Q20-A22 VanDerWaalsContact C-N 3.31Å; Q20-A22 PolarHBondContact O-N 3.39Å; A22-A26 WeakPolarHBondContact O-CB 3.44Å; A22-A26 PolarHBondContact O-N 2.89Å; A22-F47 VanDerWaalsContact CA-CZ 3.46Å; A22-F47 HydrophobicContact CB-CE1 4.34Å; A22-F47 HydrophobicContact CB-CE2 4.25Å; A22-F47 HydrophobicContact CB-CZ 3.6Å; A22-I75 HydrophobicContact CB-CD1 4.26Å; A22-I75 HydrophobicContact CB-CG2 3.99Å; A22-F77 HydrophobicContact CB-CE1 4.3Å; A22-L86 HydrophobicContact CB-CD2 3.91Å
23V98.2Very high97.8Very high15 Ų1557.7 Ų57.79%0.09130%0.296CS..Hα-helixtrans-64.5-47.4176.5167.50000111A7 Q19 Q20 A26 A27 F77 L79A7-V23 HydrophobicContact CB-CB 4.32Å; A7-V23 HydrophobicContact CB-CG1 3.57Å; A7-V23 HydrophobicContact CB-CG2 3.69Å; Q19-V23 WeakPolarHBondContact O-CG2 3.43Å; Q19-V23 PolarHBondContact O-N 3.2Å; Q20-V23 PolarHBondContact O-N 3.21Å; V23-A26 PolarHBondContact O-N 2.8Å; V23-A27 PolarHBondContact O-N 3.06Å; V23-F77 HydrophobicContact CG2-CD2 4Å; V23-F77 HydrophobicContact CG2-CE2 3.93Å; V23-F77 HydrophobicContact CG2-CG 4.45Å; V23-F77 HydrophobicContact CG2-CZ 4.32Å; V23-L79 HydrophobicContact CG1-CD2 4.37Å
24D97.8Very high97.6Very high83 Ų8360.7 Ų60.744%0.44432%0.322SS..Hα-helixtrans-64.9-42-179.9-67.1-14.7000111.1Q20 A26 A27 Q28Q20-D24 PolarHBondContact NE2-OD1 2.87Å; Q20-D24 WeakPolarHBondContact O-CB 3.43Å; Q20-D24 VanDerWaalsContact O-CG 3.23Å; Q20-D24 PolarHBondContact O-N 3Å; D24-A26 VanDerWaalsContact C-N 3.33Å; D24-A26 PolarHBondContact O-N 3.2Å; D24-A27 PolarHBondContact O-N 2.77Å; D24-Q28 WeakPolarHBondContact O-CB 3.47Å; D24-Q28 PolarHBondContact O-N 3.27Å
25C98.4Very high97.6Very high9 Ų963.2 Ų63.26%0.06134%0.338CS..Hα-helixtrans-61.6-41.7174.9-171.20000111.5D21 Q28 A29 F47D21-C25 WeakPolarHBondContact O-CB 3.37Å; D21-C25 PolarHBondContact O-N 2.84Å; C25-Q28 PolarHBondContact O-N 2.92Å; C25-A29 WeakPolarHBondContact O-CB 3.44Å; C25-A29 PolarHBondContact O-N 2.96Å; C25-F47 HydrophobicContact CB-CE2 4.05Å
26A98.3Very high97.6Very high0 Ų064 Ų640%033%0.334CS..Hα-helixtrans-68.4-39.9176.900000113A22 V23 D24 A29 L30 I43 F77 L79 F84A22-A26 WeakPolarHBondContact O-CB 3.44Å; A22-A26 PolarHBondContact O-N 2.89Å; V23-A26 PolarHBondContact O-N 2.8Å; D24-A26 VanDerWaalsContact C-N 3.33Å; D24-A26 PolarHBondContact O-N 3.2Å; A26-A29 WeakPolarHBondContact O-CB 3.5Å; A26-A29 PolarHBondContact O-N 3.45Å; A26-L30 WeakPolarHBondContact O-CG 3.11Å; A26-L30 PolarHBondContact O-N 3.21Å; A26-I43 HydrophobicContact CB-CD1 3.81Å; A26-F77 HydrophobicContact CB-CE2 3.91Å; A26-F77 HydrophobicContact CB-CZ 3.63Å; A26-L79 HydrophobicContact CB-CD1 3.65Å; A26-F84 HydrophobicContact CB-CD1 3.79Å; A26-F84 HydrophobicContact CB-CE1 3.68Å; A26-F84 HydrophobicContact CB-CG 4.34Å; A26-F84 HydrophobicContact CB-CZ 4.17Å
27A97Very high97.6Very high36 Ų3664.7 Ų64.730%0.29833%0.331SS..Hα-helixtrans-60.5-47173.400000111V23 D24 A29 L30 E31 L79V23-A27 PolarHBondContact O-N 3.06Å; D24-A27 PolarHBondContact O-N 2.77Å; A27-A29 VanDerWaalsContact C-N 3.3Å; A27-A29 PolarHBondContact O-N 3.41Å; A27-L30 PolarHBondContact O-N 2.99Å; A27-E31 PolarHBondContact O-N 2.96Å; A27-L79 HydrophobicContact CB-CD1 4.49Å
28Q96.9Very high97.6Very high82 Ų8260.8 Ų60.838%0.38331%0.311SS..Hα-helixtrans-61.8-37.6175.7-170.4-175.440.100112.3D24 C25 E31 K32 F42D24-Q28 WeakPolarHBondContact O-CB 3.47Å; D24-Q28 PolarHBondContact O-N 3.27Å; C25-Q28 PolarHBondContact O-N 2.92Å; Q28-E31 PolarHBondContact O-N 2.99Å; Q28-K32 VanDerWaalsContact CD-NZ 3.34Å; Q28-K32 HydrophobicContact CG-CD 4.46Å; Q28-K32 VanDerWaalsContact NE2-NZ 3.12Å; Q28-K32 WeakPolarHBondContact O-CG 3.45Å; Q28-K32 PolarHBondContact O-N 3.47Å; Q28-F42 HydrophobicContact CG-CZ 4.43Å
29A97.9Very high97.6Very high0 Ų060 Ų600%031%0.307CS..Hα-helixtrans-64.9-41.4177.400000111.7C25 A26 A27 E31 K32 Y33 I39 F42 I43C25-A29 WeakPolarHBondContact O-CB 3.44Å; C25-A29 PolarHBondContact O-N 2.96Å; A26-A29 WeakPolarHBondContact O-CB 3.5Å; A26-A29 PolarHBondContact O-N 3.45Å; A27-A29 VanDerWaalsContact C-N 3.3Å; A27-A29 PolarHBondContact O-N 3.41Å; A29-E31 VanDerWaalsContact C-N 3.27Å; A29-E31 PolarHBondContact O-N 2.91Å; A29-K32 PolarHBondContact O-N 3.05Å; A29-K32 VanDerWaalsContact O-N 3.16Å; A29-Y33 WeakPolarHBondContact O-CD2 3.33Å; A29-Y33 PolarHBondContact O-N 3.03Å; A29-I39 HydrophobicContact CB-CB 4.45Å; A29-I39 HydrophobicContact CB-CG2 3.7Å; A29-F42 HydrophobicContact CB-CB 4.4Å; A29-F42 HydrophobicContact CB-CD1 3.56Å; A29-F42 HydrophobicContact CB-CE1 4.2Å; A29-F42 HydrophobicContact CB-CG 4.26Å; A29-I43 HydrophobicContact CB-CD1 4.25Å; A29-I43 HydrophobicContact CB-CG1 3.95Å
30L96.4Very high97.6Very high56 Ų5658.8 Ų58.829%0.29330%0.303SS..Hα-helixtrans-65.1-27.7177-75.2167.3000113.2A26 A27 I39 L79 F84A26-L30 WeakPolarHBondContact O-CG 3.11Å; A26-L30 PolarHBondContact O-N 3.21Å; A27-L30 PolarHBondContact O-N 2.99Å; L30-I39 HydrophobicContact CD2-CD1 3.74Å; L30-L79 HydrophobicContact CD1-CB 4.07Å; L30-L79 HydrophobicContact CD1-CD1 4.04Å; L30-F84 HydrophobicContact CD1-CE2 4.35Å; L30-F84 HydrophobicContact CD1-CZ 3.85Å; L30-F84 HydrophobicContact CD2-CZ 4.26Å; L30-F84 HydrophobicContact CG-CZ 4.07Å
31E95.6Very high97.6Very high123 Ų12355.5 Ų55.558%0.57529%0.294SS*.Hα-helixtrans-72.4-31.5173.2-72167.4-138.700113M2 A27 Q28 A29M2-E31 VanDerWaalsContact CE-CD 3.49Å; M2-E31 HydrophobicContact CE-CG 4.46Å; M2-E31 WeakPolarHBondContact CE-OE1 3.34Å; A27-E31 PolarHBondContact O-N 2.96Å; Q28-E31 PolarHBondContact O-N 2.99Å; A29-E31 VanDerWaalsContact C-N 3.27Å; A29-E31 PolarHBondContact O-N 2.91Å
32K96.6Very high97.7Very high110 Ų11054.9 Ų54.948%0.47829%0.29SS..Hα-helixtrans-93.3-30.6-173-68.9177.2-174.1170.30113.4Q28 A29 F42Q28-K32 VanDerWaalsContact CD-NZ 3.34Å; Q28-K32 HydrophobicContact CG-CD 4.46Å; Q28-K32 VanDerWaalsContact NE2-NZ 3.12Å; Q28-K32 WeakPolarHBondContact O-CG 3.45Å; Q28-K32 PolarHBondContact O-N 3.47Å; A29-K32 PolarHBondContact O-N 3.05Å; A29-K32 VanDerWaalsContact O-N 3.16Å; K32-F42 HydrophobicContact CD-CE2 4.27Å
33Y97.4Very high97.7Very high91 Ų9155 Ų5536%0.35729%0.29SS..  trans-132.4140.8-169.4-54.1-74000111.3A29 D38 F42A29-Y33 WeakPolarHBondContact O-CD2 3.33Å; A29-Y33 PolarHBondContact O-N 3.03Å; Y33-D38 HydrophobicContact CD1-CB 3.83Å; Y33-D38 HydrophobicContact CG-CB 3.98Å; Y33-F42 HydrophobicContact CD2-CB 4.15Å; Y33-F42 HydrophobicContact CD2-CG 4.47Å; Y33-F42 HydrophobicContact CE2-CB 3.66Å; Y33-F42 AromaticContact CE2-CD2 3.66Å; Y33-F42 HydrophobicContact CE2-CD2 3.66Å; Y33-F42 AromaticContact CE2-CG 3.77Å; Y33-F42 HydrophobicContact CE2-CG 3.77Å
34S95.1Very high97.7Very high122 Ų12257.2 Ų57.285%0.85330%0.298SS*.SBendtrans-101-14.4175.256.20000113.6
35V97.3Very high97.8Very high71 Ų7160 Ų6043%0.4331%0.307SS..SBendtrans-99.4124.5-177-178.50000109.7K37 D38 I39V35-K37 HydrophobicContact CG1-CB 4.15Å; V35-K37 PolarHBondContact O-N 2.92Å; V35-K37 VanDerWaalsContact O-N 3.15Å; V35-D38 HydrophobicContact CB-CB 4.43Å; V35-D38 PolarHBondContact O-N 3.46Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 2.9Å; V35-I39 VanDerWaalsContact O-N 3.08Å
36E97.9Very high97.8Very high81 Ų8163.1 Ų63.138%0.37932%0.32SS..Hα-helixtrans-50.3-42-177.8-66.2172.9158.400112.9D38 I39 A40 V59 G60E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.47Å; E36-I39 PolarHBondContact O-N 3Å; E36-A40 WeakPolarHBondContact O-CB 3.47Å; E36-A40 PolarHBondContact O-N 2.96Å; E36-V59 HydrophobicContact CB-CB 4.35Å; E36-V59 HydrophobicContact CB-CG1 4.35Å; E36-V59 HydrophobicContact CG-CG1 4.34Å; E36-G60 WeakPolarHBondContact OE1-CA 3.36Å
37K98.3Very high97.8Very high142 Ų14263.2 Ų63.262%0.61732%0.321SS*.Hα-helixtrans-57.8-42.2175.9-176-172.963.461.20112.7V35 A41V35-K37 HydrophobicContact CG1-CB 4.15Å; V35-K37 PolarHBondContact O-N 2.92Å; V35-K37 VanDerWaalsContact O-N 3.15Å; K37-A41 VanDerWaalsContact O-CB 3.3Å; K37-A41 WeakPolarHBondContact O-CB 3.47Å; K37-A41 PolarHBondContact O-N 3.26Å
38D98.5Very high97.9Very high57 Ų5763 Ų6331%0.30532%0.315SS..Hα-helixtrans-76.8-36-176.5-63.5-27.1000111.1Y33 V35 E36 A41 F42Y33-D38 HydrophobicContact CD1-CB 3.83Å; Y33-D38 HydrophobicContact CG-CB 3.98Å; V35-D38 HydrophobicContact CB-CB 4.43Å; V35-D38 PolarHBondContact O-N 3.46Å; E36-D38 VanDerWaalsContact C-N 3.32Å; E36-D38 PolarHBondContact O-N 3.47Å; D38-A41 PolarHBondContact O-N 3.39Å; D38-F42 WeakPolarHBondContact O-CB 3.38Å; D38-F42 PolarHBondContact O-N 2.78Å
39I98.6Very high97.9Very high4 Ų467 Ų672%0.02133%0.331CS..Hα-helixtrans-58.4-52.4170-61.5165.9000109.8A29 L30 V35 E36 A41 F42 I43 V59 F84A29-I39 HydrophobicContact CB-CB 4.45Å; A29-I39 HydrophobicContact CB-CG2 3.7Å; L30-I39 HydrophobicContact CD2-CD1 3.74Å; V35-I39 WeakPolarHBondContact O-CG1 3.44Å; V35-I39 PolarHBondContact O-N 2.9Å; V35-I39 VanDerWaalsContact O-N 3.08Å; E36-I39 PolarHBondContact O-N 3Å; I39-A41 VanDerWaalsContact C-N 3.34Å; I39-A41 PolarHBondContact O-N 2.81Å; I39-F42 PolarHBondContact O-N 2.92Å; I39-I43 HydrophobicContact CG2-CD1 4.02Å; I39-I43 WeakPolarHBondContact O-CG1 3.32Å; I39-I43 PolarHBondContact O-N 2.57Å; I39-I43 VanDerWaalsContact O-N 3.14Å; I39-V59 HydrophobicContact CB-CG2 4.48Å; I39-V59 HydrophobicContact CG2-CG1 4.26Å; I39-V59 HydrophobicContact CG2-CG2 3.97Å; I39-F84 HydrophobicContact CG2-CE1 3.76Å; I39-F84 HydrophobicContact CG2-CZ 4.38Å
40A98.8Very high98Very high12 Ų1272.7 Ų72.710%0.09936%0.356CS..Hα-helixtrans-59.8-43.2178.900000112.1E36 F42 I43 K44 C57 V59E36-A40 WeakPolarHBondContact O-CB 3.47Å; E36-A40 PolarHBondContact O-N 2.96Å; A40-F42 VanDerWaalsContact C-N 3.34Å; A40-F42 PolarHBondContact O-N 3.16Å; A40-I43 PolarHBondContact O-N 2.74Å; A40-K44 VanDerWaalsContact O-CB 3.32Å; A40-K44 WeakPolarHBondContact O-CB 3.48Å; A40-K44 PolarHBondContact O-N 3.05Å; A40-C57 HydrophobicContact CB-CB 4.29Å; A40-C57 WeakPolarHBondContact O-CB 3.46Å; A40-V59 HydrophobicContact CB-CB 4.38Å; A40-V59 HydrophobicContact CB-CG2 3.84Å
41A98.8Very high98.1Very high36 Ų3672.3 Ų72.330%0.29835%0.351SS..Hα-helixtrans-65-36.5178.800000112.6K37 D38 I39 K45K37-A41 VanDerWaalsContact O-CB 3.3Å; K37-A41 WeakPolarHBondContact O-CB 3.47Å; K37-A41 PolarHBondContact O-N 3.26Å; D38-A41 PolarHBondContact O-N 3.39Å; I39-A41 VanDerWaalsContact C-N 3.34Å; I39-A41 PolarHBondContact O-N 2.81Å; A41-K45 WeakPolarHBondContact O-CB 3.47Å; A41-K45 VanDerWaalsContact O-CG 3.23Å; A41-K45 WeakPolarHBondContact O-CG 3.35Å; A41-K45 PolarHBondContact O-N 3.18Å
42F98.8Very high98.2Very high23 Ų2371.9 Ų71.910%0.10135%0.352CS..Hα-helixtrans-63.1-53.6175177.2-91.9000111.1Q28 A29 K32 Y33 D38 I39 A40 K44 K45 E46Q28-F42 HydrophobicContact CG-CZ 4.43Å; A29-F42 HydrophobicContact CB-CB 4.4Å; A29-F42 HydrophobicContact CB-CD1 3.56Å; A29-F42 HydrophobicContact CB-CE1 4.2Å; A29-F42 HydrophobicContact CB-CG 4.26Å; K32-F42 HydrophobicContact CD-CE2 4.27Å; Y33-F42 HydrophobicContact CD2-CB 4.15Å; Y33-F42 HydrophobicContact CD2-CG 4.47Å; Y33-F42 HydrophobicContact CE2-CB 3.66Å; Y33-F42 AromaticContact CE2-CD2 3.66Å; Y33-F42 HydrophobicContact CE2-CD2 3.66Å; Y33-F42 AromaticContact CE2-CG 3.77Å; Y33-F42 HydrophobicContact CE2-CG 3.77Å; D38-F42 WeakPolarHBondContact O-CB 3.38Å; D38-F42 PolarHBondContact O-N 2.78Å; I39-F42 PolarHBondContact O-N 2.92Å; A40-F42 VanDerWaalsContact C-N 3.34Å; A40-F42 PolarHBondContact O-N 3.16Å; F42-K44 VanDerWaalsContact C-N 3.35Å; F42-K44 PolarHBondContact O-N 2.86Å; F42-K45 PolarHBondContact O-N 2.89Å; F42-E46 HydrophobicContact CD1-CG 4.43Å; F42-E46 HydrophobicContact CE1-CG 4Å; F42-E46 HydrophobicContact CE2-CG 4.21Å; F42-E46 HydrophobicContact CZ-CG 3.86Å; F42-E46 PolarHBondContact O-N 3.05Å
43I98.8Very high98.3Very high3 Ų370.5 Ų70.52%0.01536%0.355CS..Hα-helixtrans-59.8-47.4-177.7-61.3165.2000110.4A26 A29 I39 A40 K45 E46 F47 V59 F84 L86A26-I43 HydrophobicContact CB-CD1 3.81Å; A29-I43 HydrophobicContact CB-CD1 4.25Å; A29-I43 HydrophobicContact CB-CG1 3.95Å; I39-I43 HydrophobicContact CG2-CD1 4.02Å; I39-I43 WeakPolarHBondContact O-CG1 3.32Å; I39-I43 PolarHBondContact O-N 2.57Å; I39-I43 VanDerWaalsContact O-N 3.14Å; A40-I43 PolarHBondContact O-N 2.74Å; I43-K45 VanDerWaalsContact C-N 3.34Å; I43-K45 PolarHBondContact O-N 3.33Å; I43-E46 PolarHBondContact O-N 3.36Å; I43-F47 HydrophobicContact CG2-CD2 4.15Å; I43-F47 HydrophobicContact CG2-CE2 4.5Å; I43-F47 WeakPolarHBondContact O-CB 3.32Å; I43-F47 PolarHBondContact O-N 2.98Å; I43-V59 HydrophobicContact CD1-CG2 4.48Å; I43-F84 HydrophobicContact CD1-CD1 3.69Å; I43-F84 HydrophobicContact CD1-CE1 3.73Å; I43-L86 HydrophobicContact CG2-CD1 4Å; I43-L86 HydrophobicContact CG2-CD2 3.87Å; I43-L86 HydrophobicContact CG2-CG 4.5Å
44K98.8Very high98.3Very high60 Ų6068.7 Ų68.726%0.26135%0.353SS..Hα-helixtrans-53.5-49.4176.7-173-157-178.3-47.50111.8A40 F42 F47 D48 W55 C57A40-K44 VanDerWaalsContact O-CB 3.32Å; A40-K44 WeakPolarHBondContact O-CB 3.48Å; A40-K44 PolarHBondContact O-N 3.05Å; F42-K44 VanDerWaalsContact C-N 3.35Å; F42-K44 PolarHBondContact O-N 2.86Å; K44-F47 PolarHBondContact O-N 3.4Å; K44-D48 IonicContact NZ-OD1 3.59Å; K44-D48 IonicContact NZ-OD2 2.62Å; K44-D48 PolarHBondContact NZ-OD2 3.23Å; K44-D48 WeakPolarHBondContact O-CB 3.41Å; K44-D48 VanDerWaalsContact O-CG 3.31Å; K44-D48 PolarHBondContact O-N 3.41Å; K44-W55 WeakPolarHBondContact CE-O 3.44Å; K44-W55 HydrophobicContact CG-CB 4.37Å; K44-W55 WeakPolarHBondContact CG-O 3.46Å; K44-W55 PolarHBondContact NZ-O 3.37Å; K44-C57 HydrophobicContact CB-CB 4.13Å
45K98.7Very high98.5Very high142 Ų14262.9 Ų62.962%0.61731%0.312SS*.Hα-helixtrans-65.8-41.3-176.9-76.3174-179.6178.80112.4A41 F42 I43 K49A41-K45 WeakPolarHBondContact O-CB 3.47Å; A41-K45 VanDerWaalsContact O-CG 3.23Å; A41-K45 WeakPolarHBondContact O-CG 3.35Å; A41-K45 PolarHBondContact O-N 3.18Å; F42-K45 PolarHBondContact O-N 2.89Å; I43-K45 VanDerWaalsContact C-N 3.34Å; I43-K45 PolarHBondContact O-N 3.33Å; K45-K49 WeakPolarHBondContact O-CB 3.27Å; K45-K49 PolarHBondContact O-N 3.47Å
46E98.8Very high98.6Very high74 Ų7462.7 Ų62.735%0.34631%0.306SS..Hα-helixtrans-65.2-41.8176.9-70.7-57.3127.800111.2F42 I43 K49 K50F42-E46 HydrophobicContact CD1-CG 4.43Å; F42-E46 HydrophobicContact CE1-CG 4Å; F42-E46 HydrophobicContact CE2-CG 4.21Å; F42-E46 HydrophobicContact CZ-CG 3.86Å; F42-E46 PolarHBondContact O-N 3.05Å; I43-E46 PolarHBondContact O-N 3.36Å; E46-K49 PolarHBondContact O-N 2.79Å; E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.33Å; E46-K50 PolarHBondContact O-N 2.9Å
47F98.7Very high98.6Very high3 Ų359.9 Ų59.91%0.01330%0.296CS..Hα-helixtrans-69.3-40176.9-92-109000113.3M18 A22 C25 I43 K44 K49 K50 Y51 W55 L86M18-F47 HydrophobicContact CG-CE1 4.13Å; A22-F47 VanDerWaalsContact CA-CZ 3.46Å; A22-F47 HydrophobicContact CB-CE1 4.34Å; A22-F47 HydrophobicContact CB-CE2 4.25Å; A22-F47 HydrophobicContact CB-CZ 3.6Å; C25-F47 HydrophobicContact CB-CE2 4.05Å; I43-F47 HydrophobicContact CG2-CD2 4.15Å; I43-F47 HydrophobicContact CG2-CE2 4.5Å; I43-F47 WeakPolarHBondContact O-CB 3.32Å; I43-F47 PolarHBondContact O-N 2.98Å; K44-F47 PolarHBondContact O-N 3.4Å; F47-K49 VanDerWaalsContact C-N 3.26Å; F47-K49 PolarHBondContact O-N 3.46Å; F47-K50 PolarHBondContact O-N 3Å; F47-Y51 HydrophobicContact CB-CD2 4.48Å; F47-Y51 AromaticContact CD1-CD2 3.48Å; F47-Y51 HydrophobicContact CD1-CD2 3.48Å; F47-Y51 VanDerWaalsContact CD1-CD2 3.48Å; F47-Y51 AromaticContact CD1-CE2 3.89Å; F47-Y51 HydrophobicContact CD1-CE2 3.89Å; F47-Y51 AromaticContact CE1-CD2 3.69Å; F47-Y51 HydrophobicContact CE1-CD2 3.69Å; F47-Y51 AromaticContact CE1-CE2 3.62Å; F47-Y51 HydrophobicContact CE1-CE2 3.62Å; F47-Y51 HydrophobicContact CE2-CE2 4.43Å; F47-Y51 HydrophobicContact CG-CD2 4.01Å; F47-Y51 HydrophobicContact CG-CE2 4.4Å; F47-Y51 HydrophobicContact CZ-CD2 4.35Å; F47-Y51 AromaticContact CZ-CE2 3.9Å; F47-Y51 HydrophobicContact CZ-CE2 3.9Å; F47-Y51 WeakPolarHBondContact O-CA 3.48Å; F47-Y51 PolarHBondContact O-N 3.14Å; F47-W55 VanDerWaalsContact C-CD1 3.41Å; F47-W55 HydrophobicContact CB-CB 4.14Å; F47-W55 HydrophobicContact CB-CD2 3.72Å; F47-W55 HydrophobicContact CB-CE3 4.26Å; F47-W55 HydrophobicContact CB-CG 3.64Å; F47-W55 AromaticContact CD1-CD2 3.77Å; F47-W55 HydrophobicContact CD1-CD2 3.77Å; F47-W55 AromaticContact CD1-CE2 3.73Å; F47-W55 AromaticContact CD1-CE3 3.7Å; F47-W55 HydrophobicContact CD1-CE3 3.7Å; F47-W55 AromaticContact CD1-CH2 3.58Å; F47-W55 HydrophobicContact CD1-CH2 3.58Å; F47-W55 AromaticContact CD1-CZ2 3.64Å; F47-W55 HydrophobicContact CD1-CZ2 3.64Å; F47-W55 AromaticContact CD1-CZ3 3.61Å; F47-W55 HydrophobicContact CD1-CZ3 3.61Å; F47-W55 AromaticContact CE1-CH2 3.93Å; F47-W55 HydrophobicContact CE1-CH2 3.93Å; F47-W55 HydrophobicContact CE1-CZ2 4.31Å; F47-W55 HydrophobicContact CE1-CZ3 4.07Å; F47-W55 HydrophobicContact CG-CD2 4.21Å; F47-W55 HydrophobicContact CG-CE3 4.35Å; F47-W55 PolarHBondContact O-NE1 2.92Å; F47-L86 HydrophobicContact CD1-CD2 3.66Å; F47-L86 HydrophobicContact CD1-CG 4.37Å; F47-L86 HydrophobicContact CD2-CD2 3.94Å; F47-L86 HydrophobicContact CE1-CD2 3.55Å; F47-L86 HydrophobicContact CE2-CD2 3.85Å; F47-L86 HydrophobicContact CG-CD1 4.41Å; F47-L86 HydrophobicContact CG-CD2 3.87Å; F47-L86 HydrophobicContact CZ-CD2 3.67Å
48D98.7Very high98.6Very high32 Ų3256.2 Ų56.217%0.17128%0.282CS..Hα-helixtrans-56.5-43.2170.9-79-24.5000111.2K44 N52 P53 W55K44-D48 IonicContact NZ-OD1 3.59Å; K44-D48 IonicContact NZ-OD2 2.62Å; K44-D48 PolarHBondContact NZ-OD2 3.23Å; K44-D48 WeakPolarHBondContact O-CB 3.41Å; K44-D48 VanDerWaalsContact O-CG 3.31Å; K44-D48 PolarHBondContact O-N 3.41Å; D48-N52 CarbonylContact O-C 3.34Å; D48-N52 WeakPolarHBondContact O-CA 3.3Å; D48-N52 PolarHBondContact O-N 2.96Å; D48-P53 HydrophobicContact CB-CG 4.43Å; D48-P53 WeakPolarHBondContact O-CD 3.11Å; D48-W55 WeakPolarHBondContact OD1-CB 3.32Å; D48-W55 PolarHBondContact OD1-N 2.89Å
49K98.6Very high98.6Very high165 Ų16554.1 Ų54.172%0.71727%0.271SS*.Hα-helixtrans-70.3-41.9-179.3-177.7-175.9174.3-169.30112.4K45 E46 F47K45-K49 WeakPolarHBondContact O-CB 3.27Å; K45-K49 PolarHBondContact O-N 3.47Å; E46-K49 PolarHBondContact O-N 2.79Å; F47-K49 VanDerWaalsContact C-N 3.26Å; F47-K49 PolarHBondContact O-N 3.46Å
50K98.6Very high98.6Very high120 Ų12054.2 Ų54.252%0.52227%0.273SS..Hα-helixtrans-86.3-37.4-172.8-172.5171177.1-178.90113.3D21 E46 F47D21-K50 IonicContact OD1-NZ 2.74Å; D21-K50 PolarHBondContact OD1-NZ 3.46Å; D21-K50 WeakPolarHBondContact OD2-CD 3.14Å; D21-K50 VanDerWaalsContact OD2-CE 3.27Å; D21-K50 WeakPolarHBondContact OD2-CE 3.47Å; D21-K50 IonicContact OD2-NZ 3.62Å; D21-K50 PolarHBondContact OD2-NZ 3.45Å; E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.33Å; E46-K50 PolarHBondContact O-N 2.9Å; F47-K50 PolarHBondContact O-N 3Å
51Y98.4Very high98.5Very high48 Ų4861 Ų6119%0.18830%0.297CS..Hα-helixtrans-118.716.2-171.8-58.9-67.8000113.9M18 D21 F47 W55 K88M18-Y51 HydrophobicContact CE-CD1 3.66Å; M18-Y51 HydrophobicContact CE-CE1 3.75Å; M18-Y51 HydrophobicContact CE-CG 4.18Å; M18-Y51 HydrophobicContact CG-CE1 4.42Å; M18-Y51 HydrophobicContact CG-CE2 4.25Å; D21-Y51 WeakPolarHBondContact OD2-CE2 3.4Å; D21-Y51 VanDerWaalsContact OD2-CZ 3.25Å; D21-Y51 PolarHBondContact OD2-OH 3.24Å; F47-Y51 HydrophobicContact CB-CD2 4.48Å; F47-Y51 AromaticContact CD1-CD2 3.48Å; F47-Y51 HydrophobicContact CD1-CD2 3.48Å; F47-Y51 VanDerWaalsContact CD1-CD2 3.48Å; F47-Y51 AromaticContact CD1-CE2 3.89Å; F47-Y51 HydrophobicContact CD1-CE2 3.89Å; F47-Y51 AromaticContact CE1-CD2 3.69Å; F47-Y51 HydrophobicContact CE1-CD2 3.69Å; F47-Y51 AromaticContact CE1-CE2 3.62Å; F47-Y51 HydrophobicContact CE1-CE2 3.62Å; F47-Y51 HydrophobicContact CE2-CE2 4.43Å; F47-Y51 HydrophobicContact CG-CD2 4.01Å; F47-Y51 HydrophobicContact CG-CE2 4.4Å; F47-Y51 HydrophobicContact CZ-CD2 4.35Å; F47-Y51 AromaticContact CZ-CE2 3.9Å; F47-Y51 HydrophobicContact CZ-CE2 3.9Å; F47-Y51 WeakPolarHBondContact O-CA 3.48Å; F47-Y51 PolarHBondContact O-N 3.14Å; Y51-W55 HydrophobicContact CD2-CZ2 4.24Å; Y51-W55 HydrophobicContact CG-CZ2 4.16Å; Y51-K88 PolarHBondContact O-NZ 3.47Å
52N98Very high98.3Very high114 Ų11466.9 Ų66.961%0.6132%0.323SS*.  trans64.4145.9-175.3-50.6-71.1000113.5D48 W55 K88D48-N52 CarbonylContact O-C 3.34Å; D48-N52 WeakPolarHBondContact O-CA 3.3Å; D48-N52 PolarHBondContact O-N 2.96Å; N52-W55 VanDerWaalsContact O-CD1 3.28Å; N52-W55 PolarHBondContact O-NE1 3.4Å; N52-W55 VanDerWaalsContact O-NE1 3.09Å; N52-K88 PolarHBondContact O-NZ 3.4Å
53P98.3Very high98.2Very high81 Ų8168.3 Ų68.353%0.52633%0.329SS..SBendtrans-60.9161.5176.8-17.529.7000112.9D48 K88D48-P53 HydrophobicContact CB-CG 4.43Å; D48-P53 WeakPolarHBondContact O-CD 3.11Å; P53-K88 WeakPolarHBondContact O-CE 3.44Å; P53-K88 PolarHBondContact O-NZ 3.16Å
54T98.2Very high98.1Very high53 Ų5371.9 Ų71.933%0.32537%0.366SS..  cis-115.51124-56.10000111.8K88 S89T54-K88 WeakPolarHBondContact O-CA 3.49Å; T54-K88 WeakPolarHBondContact O-CG 3.42Å; T54-S89 PolarHBondContact O-N 2.98Å
55W98.8Very high98Very high0 Ų071.9 Ų71.90%037%0.374CS..EExtended strand (participates in β ladder)trans-86.9150.8174.2-68.383000111.8M14 M18 K44 F47 D48 Y51 N52 H73 L86 F87 K88M14-W55 HydrophobicContact CE-CH2 3.95Å; M14-W55 HydrophobicContact CE-CZ3 4.04Å; M18-W55 HydrophobicContact SD-CH2 3.8Å; M18-W55 HydrophobicContact SD-CZ2 4.26Å; K44-W55 WeakPolarHBondContact CE-O 3.44Å; K44-W55 HydrophobicContact CG-CB 4.37Å; K44-W55 WeakPolarHBondContact CG-O 3.46Å; K44-W55 PolarHBondContact NZ-O 3.37Å; F47-W55 VanDerWaalsContact C-CD1 3.41Å; F47-W55 HydrophobicContact CB-CB 4.14Å; F47-W55 HydrophobicContact CB-CD2 3.72Å; F47-W55 HydrophobicContact CB-CE3 4.26Å; F47-W55 HydrophobicContact CB-CG 3.64Å; F47-W55 AromaticContact CD1-CD2 3.77Å; F47-W55 HydrophobicContact CD1-CD2 3.77Å; F47-W55 AromaticContact CD1-CE2 3.73Å; F47-W55 AromaticContact CD1-CE3 3.7Å; F47-W55 HydrophobicContact CD1-CE3 3.7Å; F47-W55 AromaticContact CD1-CH2 3.58Å; F47-W55 HydrophobicContact CD1-CH2 3.58Å; F47-W55 AromaticContact CD1-CZ2 3.64Å; F47-W55 HydrophobicContact CD1-CZ2 3.64Å; F47-W55 AromaticContact CD1-CZ3 3.61Å; F47-W55 HydrophobicContact CD1-CZ3 3.61Å; F47-W55 AromaticContact CE1-CH2 3.93Å; F47-W55 HydrophobicContact CE1-CH2 3.93Å; F47-W55 HydrophobicContact CE1-CZ2 4.31Å; F47-W55 HydrophobicContact CE1-CZ3 4.07Å; F47-W55 HydrophobicContact CG-CD2 4.21Å; F47-W55 HydrophobicContact CG-CE3 4.35Å; F47-W55 PolarHBondContact O-NE1 2.92Å; D48-W55 WeakPolarHBondContact OD1-CB 3.32Å; D48-W55 PolarHBondContact OD1-N 2.89Å; Y51-W55 HydrophobicContact CD2-CZ2 4.24Å; Y51-W55 HydrophobicContact CG-CZ2 4.16Å; N52-W55 VanDerWaalsContact O-CD1 3.28Å; N52-W55 PolarHBondContact O-NE1 3.4Å; N52-W55 VanDerWaalsContact O-NE1 3.09Å; W55-H73 HydrophobicContact CH2-CB 3.87Å; W55-H73 AromaticContact CH2-CD2 3.9Å; W55-H73 HydrophobicContact CZ2-CB 4.36Å; W55-H73 AromaticContact CZ2-CD2 3.7Å; W55-H73 HydrophobicContact CZ3-CB 4.31Å; W55-L86 HydrophobicContact CB-CD1 4.5Å; W55-L86 HydrophobicContact CE3-CD1 3.72Å; W55-L86 HydrophobicContact CE3-CD2 4.41Å; W55-L86 HydrophobicContact CE3-CG 3.76Å; W55-L86 HydrophobicContact CZ3-CD1 4.39Å; W55-L86 HydrophobicContact CZ3-CD2 4.35Å; W55-L86 HydrophobicContact CZ3-CG 3.92Å; W55-F87 CarbonylContact C-O 3.58Å; W55-F87 WeakPolarHBondContact CA-O 3.41Å; W55-K88 HydrophobicContact CD2-CB 4.12Å; W55-K88 HydrophobicContact CD2-CG 4.44Å; W55-K88 HydrophobicContact CE3-CB 4.21Å; W55-K88 HydrophobicContact CZ2-CB 4.45Å; W55-K88 HydrophobicContact CZ2-CD 4.46Å; W55-K88 HydrophobicContact CZ3-CB 4.42Å
56H98.8Very high98Very high66 Ų6676.2 Ų76.231%0.30639%0.388SS..EExtended strand (participates in β ladder)trans-128.4137.1175.7-57.4-85.7000108.1L86 F87 S89H56-L86 WeakPolarHBondContact O-CA 3.25Å; H56-L86 WeakPolarHBondContact O-CD1 3.47Å; H56-F87 HydrophobicContact CB-CD1 4.04Å; H56-F87 HydrophobicContact CB-CD2 4.23Å; H56-F87 HydrophobicContact CB-CE1 3.57Å; H56-F87 HydrophobicContact CB-CE2 3.78Å; H56-F87 HydrophobicContact CB-CG 4.36Å; H56-F87 HydrophobicContact CB-CZ 3.43Å; H56-F87 VanDerWaalsContact CB-CZ 3.43Å; H56-F87 AromaticContact CD2-CE2 3.69Å; H56-F87 AromaticContact CG-CE2 3.85Å; H56-F87 AromaticContact CG-CZ 3.86Å; H56-F87 PolarHBondContact N-O 2.62Å; H56-F87 PolarHBondContact O-N 2.95Å; H56-S89 PolarHBondContact NE2-O 2.79Å
57C98.8Very high97.9Very high22 Ų2275 Ų7515%0.14939%0.386CS..EExtended strand (participates in β ladder)trans-134.5134.3-179.2-171.60000110.3A40 K44 L85 L86A40-C57 HydrophobicContact CB-CB 4.29Å; A40-C57 WeakPolarHBondContact O-CB 3.46Å; K44-C57 HydrophobicContact CB-CB 4.13Å; C57-L85 CarbonylContact C-O 3.46Å; C57-L85 VanDerWaalsContact CA-O 3.31Å; C57-L85 WeakPolarHBondContact CA-O 3.48Å; C57-L86 HydrophobicContact CB-CD1 4Å
58I98.7Very high97.9Very high66 Ų6680.4 Ų80.434%0.33842%0.419SS..EExtended strand (participates in β ladder)trans-123.4133.6172.2-49.4-176.8000107.6F63 F84 L85I58-F63 HydrophobicContact CG2-CD1 4.44Å; I58-F63 HydrophobicContact CG2-CD2 4.34Å; I58-F63 HydrophobicContact CG2-CE1 4.32Å; I58-F63 HydrophobicContact CG2-CE2 4.25Å; I58-F63 HydrophobicContact CG2-CG 4.45Å; I58-F63 HydrophobicContact CG2-CZ 4.23Å; I58-F84 WeakPolarHBondContact O-CA 3.43Å; I58-L85 HydrophobicContact CB-CB 4.19Å; I58-L85 HydrophobicContact CD1-CD2 3.92Å; I58-L85 HydrophobicContact CG1-CD2 4.41Å; I58-L85 PolarHBondContact N-O 3.03Å; I58-L85 PolarHBondContact O-N 3.09Å
59V98.6Very high97.8Very high13 Ų1381.9 Ų81.98%0.07943%0.425CS..EExtended strand (participates in β ladder)trans-127.4133.5174-177.70000107.7E36 I39 A40 I43 A83 F84E36-V59 HydrophobicContact CB-CB 4.35Å; E36-V59 HydrophobicContact CB-CG1 4.35Å; E36-V59 HydrophobicContact CG-CG1 4.34Å; I39-V59 HydrophobicContact CB-CG2 4.48Å; I39-V59 HydrophobicContact CG2-CG1 4.26Å; I39-V59 HydrophobicContact CG2-CG2 3.97Å; A40-V59 HydrophobicContact CB-CB 4.38Å; A40-V59 HydrophobicContact CB-CG2 3.84Å; I43-V59 HydrophobicContact CD1-CG2 4.48Å; V59-A83 WeakPolarHBondContact CA-O 3.39Å; V59-F84 HydrophobicContact CB-CD1 4.49Å; V59-F84 HydrophobicContact CB-CE1 4.41Å; V59-F84 HydrophobicContact CG1-CD1 4.27Å; V59-F84 HydrophobicContact CG1-CE1 3.83Å; V59-F84 HydrophobicContact CG1-CZ 4.01Å; V59-F84 HydrophobicContact CG2-CD1 3.57Å; V59-F84 HydrophobicContact CG2-CE1 3.65Å; V59-F84 HydrophobicContact CG2-CG 4.48Å
60G97.9Very high97.8Very high6 Ų676.7 Ų76.76%0.06240%0.403CS..EExtended strand (participates in β ladder)trans-178.3160.5177.100000113.3E36 A83E36-G60 WeakPolarHBondContact OE1-CA 3.36Å; G60-A83 PolarHBondContact N-O 2.95Å; G60-A83 WeakPolarHBondContact O-CB 3.32Å; G60-A83 PolarHBondContact O-N 2.78Å
61R96.1Very high97.8Very high155 Ų15576.1 Ų76.159%0.58541%0.41SS*.SBendtrans-84-25.1175.1-58.1-170.2-167.9-174.411.4113.9E81R61-E81 IonicContact CZ-OE2 2.85Å; R61-E81 IonicContact NH1-OE2 2.77Å; R61-E81 PolarHBondContact NH1-OE2 2.87Å
62N95.3Very high97.8Very high159 Ų15980.5 Ų80.585%0.8543%0.43SS*.SBendtrans-146.3103.9-178.3-174.519.4000110.9
63F97.6Very high97.8Very high53 Ų5377.1 Ų77.123%0.23241%0.411CS..  trans-153.9151.6172.665.1-91.2000111.2I58 Y76 A83 L85I58-F63 HydrophobicContact CG2-CD1 4.44Å; I58-F63 HydrophobicContact CG2-CD2 4.34Å; I58-F63 HydrophobicContact CG2-CE1 4.32Å; I58-F63 HydrophobicContact CG2-CE2 4.25Å; I58-F63 HydrophobicContact CG2-CG 4.45Å; I58-F63 HydrophobicContact CG2-CZ 4.23Å; F63-Y76 HydrophobicContact CE2-CE2 4.27Å; F63-Y76 AromaticContact CZ-CE2 3.98Å; F63-Y76 HydrophobicContact CZ-CE2 3.98Å; F63-A83 HydrophobicContact CE1-CB 3.62Å; F63-A83 HydrophobicContact CZ-CB 3.94Å; F63-L85 HydrophobicContact CE2-CB 4.11Å; F63-L85 HydrophobicContact CE2-CD2 4.5Å; F63-L85 HydrophobicContact CZ-CB 4.13Å
64G96.9Very high97.8Very high77 Ų7774.1 Ų74.179%0.79439%0.389SS*.  trans-108151.7161.500000109.3
65S96.8Very high97.8Very high61 Ų6171.6 Ų71.643%0.42737%0.374SS..  trans-142.5149.9177.967.40000111.2L85S65-L85 WeakPolarHBondContact OG-CD2 3.3Å
66Y97.2Very high97.8Very high232 Ų23274 Ų7491%0.9138%0.383SS*.  trans-137.9101.8170.9-165.1-83.6000106.8
67V97.5Very high97.8Very high49 Ų4971 Ų7130%0.29737%0.369SS..  trans-129.4146.3-170-59.50000110.9F74 L85 F87V67-F74 HydrophobicContact CG2-CE2 4.01Å; V67-L85 HydrophobicContact CG1-CD2 4.41Å; V67-L85 HydrophobicContact CG2-CD2 4.34Å; V67-F87 HydrophobicContact CB-CE1 4.27Å; V67-F87 HydrophobicContact CB-CE2 4.09Å; V67-F87 HydrophobicContact CB-CZ 3.94Å; V67-F87 HydrophobicContact CG1-CE1 4.01Å; V67-F87 HydrophobicContact CG1-CE2 4.45Å; V67-F87 HydrophobicContact CG1-CZ 3.81Å; V67-F87 HydrophobicContact CG2-CD1 4.22Å; V67-F87 HydrophobicContact CG2-CD2 4.42Å; V67-F87 HydrophobicContact CG2-CE1 4.2Å; V67-F87 HydrophobicContact CG2-CE2 4.41Å; V67-F87 HydrophobicContact CG2-CG 4.33Å; V67-F87 HydrophobicContact CG2-CZ 4.3Å
68T97.9Very high97.8Very high117 Ų11773.2 Ų73.272%0.71838%0.375SS*.  trans-96.6138.4167-55.80000108.4
69H97.8Very high97.7Very high62 Ų6270.5 Ų70.529%0.28736%0.361SS..  trans-137.4159.3-179.661.4-91.3000111.4D13 F74 F87 K88D13-H69 IonicContact OD2-NE2 3.88Å; H69-F74 HydrophobicContact CB-CB 4.42Å; H69-F74 HydrophobicContact CB-CD2 4.28Å; H69-F74 WeakPolarHBondContact CD2-CB 3.39Å; H69-F74 AromaticContact CE1-CD2 3.64Å; H69-F74 AromaticContact CE1-CG 3.69Å; H69-F74 AromaticContact CG-CD2 3.73Å; H69-F74 AromaticContact ND1-CD2 3.35Å; H69-F74 VanDerWaalsContact ND1-CD2 3.35Å; H69-F74 WeakPolarHBondContact ND1-CD2 3.31Å; H69-F74 AromaticContact ND1-CG 3.83Å; H69-F74 WeakPolarHBondContact NE2-CB 3.33Å; H69-F74 AromaticContact NE2-CG 3.85Å; H69-F87 HydrophobicContact CB-CB 3.9Å; H69-F87 HydrophobicContact CB-CD2 4.01Å; H69-F87 HydrophobicContact CB-CG 4.37Å; H69-K88 CarbonylContact C-O 3.53Å; H69-K88 VanDerWaalsContact CA-O 3.25Å; H69-K88 WeakPolarHBondContact CA-O 3.19Å; H69-K88 WeakPolarHBondContact CB-O 3.5Å
70E98Very high97.4Very high57 Ų5771.6 Ų71.627%0.26638%0.375SS..  trans-70.2138.1170.1-68.6170.4-134.300111K72 H73 K88 G90E70-K72 PolarHBondContact O-N 3.15Å; E70-H73 PolarHBondContact O-N 2.88Å; E70-K88 HydrophobicContact CB-CB 4.48Å; E70-K88 PolarHBondContact N-O 3.08Å; E70-K88 WeakPolarHBondContact OE1-CG 3.19Å; E70-K88 WeakPolarHBondContact OE2-CD 3.1Å; E70-K88 WeakPolarHBondContact OE2-CE 3.35Å; E70-G90 PolarHBondContact OE1-N 2.94Å; E70-G90 VanDerWaalsContact OE1-N 3.16Å
71T97.6Very high97.2Very high108 Ų10877.5 Ų77.566%0.66340%0.401SS*.THydrogen-bonded Turntrans-49.3138.5177.5-39.10000111.7H73T71-H73 VanDerWaalsContact C-N 3.28Å; T71-H73 PolarHBondContact O-CE1 3.22Å; T71-H73 PolarHBondContact O-N 3.38Å; T71-H73 PolarHBondContact O-ND1 3.24Å
72K98.1Very high97.2Very high140 Ų14071.5 Ų71.561%0.60938%0.38SS*.THydrogen-bonded Turntrans65.719.1179.1-52.4-171178.6-179.50115.8D13 M14 E70D13-K72 VanDerWaalsContact CG-N 3.31Å; D13-K72 CarbonylContact O-C 3.54Å; D13-K72 WeakPolarHBondContact O-CA 3.43Å; D13-K72 PolarHBondContact OD1-N 2.99Å; D13-K72 PolarHBondContact OD2-N 2.83Å; M14-K72 WeakPolarHBondContact CA-O 2.77Å; M14-K72 VanDerWaalsContact CB-O 3.3Å; M14-K72 WeakPolarHBondContact CB-O 3.31Å; E70-K72 PolarHBondContact O-N 3.15Å
73H98.6Very high97.3Very high43 Ų4364 Ų6420%0.19934%0.34CS..  trans-135.247.8179.8-57.990.4000112.8D13 W55 E70 T71 F87 K88D13-H73 PolarHBondContact O-N 3.38Å; W55-H73 HydrophobicContact CH2-CB 3.87Å; W55-H73 AromaticContact CH2-CD2 3.9Å; W55-H73 HydrophobicContact CZ2-CB 4.36Å; W55-H73 AromaticContact CZ2-CD2 3.7Å; W55-H73 HydrophobicContact CZ3-CB 4.31Å; E70-H73 PolarHBondContact O-N 2.88Å; T71-H73 VanDerWaalsContact C-N 3.28Å; T71-H73 PolarHBondContact O-CE1 3.22Å; T71-H73 PolarHBondContact O-N 3.38Å; T71-H73 PolarHBondContact O-ND1 3.24Å; H73-F87 CarbonylContact O-C 3.56Å; H73-F87 WeakPolarHBondContact O-CA 3.2Å; H73-K88 HydrophobicContact CB-CB 3.43Å; H73-K88 VanDerWaalsContact CB-CB 3.43Å; H73-K88 HydrophobicContact CB-CD 4.28Å; H73-K88 HydrophobicContact CB-CG 4.5Å; H73-K88 PolarHBondContact O-N 2.89Å
74F98.7Very high97.4Very high18 Ų1861.5 Ų61.58%0.07933%0.33CS..EExtended strand (participates in β ladder)trans-138136.5178.2175.3-81.2000112.3N11 A12 D13 V67 H69 L85 F87N11-F74 HydrophobicContact CB-CE1 4.14Å; A12-F74 CarbonylContact C-O 3.51Å; A12-F74 WeakPolarHBondContact CA-O 3.48Å; D13-F74 CarbonylContact C-O 2.85Å; D13-F74 HydrophobicContact CB-CB 4.33Å; D13-F74 PolarHBondContact N-O 2.85Å; D13-F74 PolarHBondContact O-N 2.79Å; V67-F74 HydrophobicContact CG2-CE2 4.01Å; H69-F74 HydrophobicContact CB-CB 4.42Å; H69-F74 HydrophobicContact CB-CD2 4.28Å; H69-F74 WeakPolarHBondContact CD2-CB 3.39Å; H69-F74 AromaticContact CE1-CD2 3.64Å; H69-F74 AromaticContact CE1-CG 3.69Å; H69-F74 AromaticContact CG-CD2 3.73Å; H69-F74 AromaticContact ND1-CD2 3.35Å; H69-F74 VanDerWaalsContact ND1-CD2 3.35Å; H69-F74 WeakPolarHBondContact ND1-CD2 3.31Å; H69-F74 AromaticContact ND1-CG 3.83Å; H69-F74 WeakPolarHBondContact NE2-CB 3.33Å; H69-F74 AromaticContact NE2-CG 3.85Å; F74-L85 HydrophobicContact CD2-CD1 4.44Å; F74-L85 HydrophobicContact CE2-CD1 3.5Å; F74-L85 VanDerWaalsContact CE2-CD1 3.5Å; F74-L85 HydrophobicContact CZ-CD1 3.53Å; F74-F87 HydrophobicContact CB-CB 4.43Å; F74-F87 HydrophobicContact CD2-CB 3.73Å; F74-F87 HydrophobicContact CG-CB 4.48Å
75I98.8Very high97.5Very high0 Ų057.9 Ų57.90%029%0.292CS..EExtended strand (participates in β ladder)trans-147139.9169-167.7179.7000111.5V9 A12 M14 Q19 A22 F77 L86V9-I75 HydrophobicContact CG1-CG1 4.32Å; V9-I75 HydrophobicContact CG2-CD1 4.47Å; A12-I75 HydrophobicContact CB-CG1 4.08Å; M14-I75 HydrophobicContact CE-CB 4.14Å; M14-I75 HydrophobicContact CE-CG2 4.01Å; M14-I75 HydrophobicContact CG-CB 4.45Å; M14-I75 HydrophobicContact SD-CB 3.8Å; M14-I75 HydrophobicContact SD-CD1 4.33Å; M14-I75 HydrophobicContact SD-CG2 3.99Å; Q19-I75 HydrophobicContact CB-CD1 3.85Å; Q19-I75 HydrophobicContact CG-CD1 3.92Å; A22-I75 HydrophobicContact CB-CD1 4.26Å; A22-I75 HydrophobicContact CB-CG2 3.99Å; I75-F77 HydrophobicContact CD1-CD1 3.74Å; I75-F77 HydrophobicContact CD1-CE1 4.21Å; I75-F77 HydrophobicContact CD1-CG 4.42Å; I75-F77 HydrophobicContact CG1-CD1 3.83Å; I75-F77 HydrophobicContact CG2-CD1 4.19Å; I75-F77 HydrophobicContact CG2-CE1 4.14Å; I75-L86 HydrophobicContact CG2-CB 3.82Å; I75-L86 HydrophobicContact CG2-CD2 4.25Å; I75-L86 HydrophobicContact CG2-CG 4.42Å; I75-L86 PolarHBondContact N-O 2.83Å; I75-L86 PolarHBondContact O-N 3.37Å
76Y98.7Very high97.6Very high51 Ų5155.1 Ų55.120%0.227%0.272CS..EExtended strand (participates in β ladder)trans-128.5118170.7177.1-123.2000109.8K10 N11 F63 Y78 A83 F84 L85K10-Y76 HydrophobicContact CB-CD1 3.49Å; K10-Y76 VanDerWaalsContact CB-CD1 3.49Å; K10-Y76 HydrophobicContact CB-CE1 3.78Å; K10-Y76 HydrophobicContact CB-CG 4.44Å; K10-Y76 HydrophobicContact CG-CD1 4.19Å; K10-Y76 HydrophobicContact CG-CE1 4.02Å; K10-Y76 PolarHBondContact N-O 3.04Å; N11-Y76 PolarHBondContact N-O 2.84Å; N11-Y76 VanDerWaalsContact N-O 3.12Å; N11-Y76 PolarHBondContact O-N 3.31Å; F63-Y76 HydrophobicContact CE2-CE2 4.27Å; F63-Y76 AromaticContact CZ-CE2 3.98Å; F63-Y76 HydrophobicContact CZ-CE2 3.98Å; Y76-Y78 HydrophobicContact CE1-CE2 4.2Å; Y76-Y78 HydrophobicContact CE2-CE2 4.45Å; Y76-Y78 AromaticContact CZ-CE2 3.74Å; Y76-Y78 VanDerWaalsContact OH-CE2 3.27Å; Y76-Y78 WeakPolarHBondContact OH-CE2 3.45Å; Y76-Y78 PolarHBondContact OH-OH 3.5Å; Y76-Y78 VanDerWaalsContact OH-OH 3.06Å; Y76-A83 HydrophobicContact CE2-CB 3.94Å; Y76-F84 WeakPolarHBondContact CA-O 3.33Å; Y76-F84 WeakPolarHBondContact CD2-O 2.99Å; Y76-L85 HydrophobicContact CD2-CB 4.25Å; Y76-L85 HydrophobicContact CD2-CD1 4.19Å; Y76-L85 HydrophobicContact CG-CD1 4.41Å
77F98.5Very high97.7Very high2 Ų244.9 Ų44.91%0.00923%0.233CC..EExtended strand (participates in β ladder)trans-148.4165.2-175.368.2-81.6000112.5V8 V9 A22 V23 A26 I75 L79 F84V8-F77 CarbonylContact O-C 3.57Å; V8-F77 VanDerWaalsContact O-CA 3.31Å; V8-F77 WeakPolarHBondContact O-CA 3.48Å; V9-F77 HydrophobicContact CB-CB 4.4Å; V9-F77 HydrophobicContact CG2-CB 4.14Å; A22-F77 HydrophobicContact CB-CE1 4.3Å; V23-F77 HydrophobicContact CG2-CD2 4Å; V23-F77 HydrophobicContact CG2-CE2 3.93Å; V23-F77 HydrophobicContact CG2-CG 4.45Å; V23-F77 HydrophobicContact CG2-CZ 4.32Å; A26-F77 HydrophobicContact CB-CE2 3.91Å; A26-F77 HydrophobicContact CB-CZ 3.63Å; I75-F77 HydrophobicContact CD1-CD1 3.74Å; I75-F77 HydrophobicContact CD1-CE1 4.21Å; I75-F77 HydrophobicContact CD1-CG 4.42Å; I75-F77 HydrophobicContact CG1-CD1 3.83Å; I75-F77 HydrophobicContact CG2-CD1 4.19Å; I75-F77 HydrophobicContact CG2-CE1 4.14Å; F77-L79 HydrophobicContact CD2-CG 4.14Å; F77-L79 HydrophobicContact CE2-CD1 3.82Å; F77-L79 HydrophobicContact CE2-CG 3.85Å; F77-F84 HydrophobicContact CD1-CB 3.91Å; F77-F84 HydrophobicContact CD2-CB 4.3Å; F77-F84 HydrophobicContact CD2-CD2 4.35Å; F77-F84 HydrophobicContact CE1-CB 3.56Å; F77-F84 HydrophobicContact CE1-CG 4.32Å; F77-F84 HydrophobicContact CE2-CB 3.96Å; F77-F84 AromaticContact CE2-CD2 3.96Å; F77-F84 HydrophobicContact CE2-CD2 3.96Å; F77-F84 AromaticContact CE2-CG 3.95Å; F77-F84 HydrophobicContact CE2-CG 3.95Å; F77-F84 HydrophobicContact CG-CB 4.29Å; F77-F84 HydrophobicContact CZ-CB 3.59Å; F77-F84 HydrophobicContact CZ-CD1 4.34Å; F77-F84 HydrophobicContact CZ-CD2 4.33Å; F77-F84 AromaticContact CZ-CG 3.84Å; F77-F84 HydrophobicContact CZ-CG 3.84Å; F77-F84 PolarHBondContact N-O 3.25Å; F77-F84 PolarHBondContact O-N 3.39Å
78Y97.8Very high97.7Very high68 Ų6843.5 Ų43.527%0.26722%0.223SC..EExtended strand (participates in β ladder)trans-112.9140174.2-79.4-102.6000111.2A7 V8 K10 Y76 N82 A83A7-Y78 WeakPolarHBondContact CA-O 3.18Å; V8-Y78 PolarHBondContact N-O 3.12Å; V8-Y78 PolarHBondContact O-N 3.17Å; K10-Y78 HydrophobicContact CG-CD2 3.83Å; K10-Y78 HydrophobicContact CG-CE2 4.05Å; Y76-Y78 HydrophobicContact CE1-CE2 4.2Å; Y76-Y78 HydrophobicContact CE2-CE2 4.45Å; Y76-Y78 AromaticContact CZ-CE2 3.74Å; Y76-Y78 VanDerWaalsContact OH-CE2 3.27Å; Y76-Y78 WeakPolarHBondContact OH-CE2 3.45Å; Y76-Y78 PolarHBondContact OH-OH 3.5Å; Y76-Y78 VanDerWaalsContact OH-OH 3.06Å; Y78-N82 WeakPolarHBondContact CA-O 3.23Å; Y78-A83 HydrophobicContact CD1-CB 3.99Å; Y78-A83 HydrophobicContact CD2-CB 4.37Å; Y78-A83 HydrophobicContact CE1-CB 3.58Å; Y78-A83 HydrophobicContact CE2-CB 4Å; Y78-A83 HydrophobicContact CG-CB 4.37Å
79L96.3Very high97.7Very high9 Ų940.2 Ų40.25%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-122.7105.7160.8-72.3171.1000108.1H5 A7 V23 A26 A27 L30 F77 E81 N82 F84H5-L79 WeakPolarHBondContact O-CD2 3.37Å; A7-L79 HydrophobicContact CB-CD2 3.74Å; V23-L79 HydrophobicContact CG1-CD2 4.37Å; A26-L79 HydrophobicContact CB-CD1 3.65Å; A27-L79 HydrophobicContact CB-CD1 4.49Å; L30-L79 HydrophobicContact CD1-CB 4.07Å; L30-L79 HydrophobicContact CD1-CD1 4.04Å; F77-L79 HydrophobicContact CD2-CG 4.14Å; F77-L79 HydrophobicContact CE2-CD1 3.82Å; F77-L79 HydrophobicContact CE2-CG 3.85Å; L79-E81 PolarHBondContact O-N 2.79Å; L79-N82 PolarHBondContact N-O 2.85Å; L79-N82 PolarHBondContact O-N 2.8Å; L79-F84 HydrophobicContact CB-CD2 4.43Å; L79-F84 HydrophobicContact CB-CE2 3.84Å; L79-F84 HydrophobicContact CD1-CE2 4.2Å; L79-F84 HydrophobicContact CD1-CZ 4.47Å; L79-F84 HydrophobicContact CG-CE2 4.33Å
80G93.4Very high97.5Very high36 Ų3642.5 Ų42.537%0.37124%0.244SC..THydrogen-bonded Turntrans63.8-127-172.100000110.8
81E93.8Very high97.4Very high131 Ų13141.8 Ų41.861%0.61224%0.243SC*.THydrogen-bonded Turntrans-85.8-8.9177.9-61.3-175.6171.200113.6R61 L79R61-E81 IonicContact CZ-OE2 2.85Å; R61-E81 IonicContact NH1-OE2 2.77Å; R61-E81 PolarHBondContact NH1-OE2 2.87Å; L79-E81 PolarHBondContact O-N 2.79Å
82N96.1Very high97.4Very high28 Ų2838.3 Ų38.315%0.1522%0.221CC..EExtended strand (participates in β ladder)trans-92.2126-176.4-62.8-46.5000109.9Y78 L79 F84Y78-N82 WeakPolarHBondContact CA-O 3.23Å; L79-N82 PolarHBondContact N-O 2.85Å; L79-N82 PolarHBondContact O-N 2.8Å; N82-F84 HydrophobicContact CB-CD2 4.49Å; N82-F84 HydrophobicContact CB-CE2 3.62Å; N82-F84 HydrophobicContact CB-CZ 4.07Å; N82-F84 WeakPolarHBondContact O-CD2 3.19Å; N82-F84 WeakPolarHBondContact O-CE2 3.47Å
83A98.1Very high97.4Very high1 Ų132.6 Ų32.61%0.00820%0.2CC..EExtended strand (participates in β ladder)trans-91.7142169.300000110.3V59 G60 F63 Y76 Y78V59-A83 WeakPolarHBondContact CA-O 3.39Å; G60-A83 PolarHBondContact N-O 2.95Å; G60-A83 WeakPolarHBondContact O-CB 3.32Å; G60-A83 PolarHBondContact O-N 2.78Å; F63-A83 HydrophobicContact CE1-CB 3.62Å; F63-A83 HydrophobicContact CZ-CB 3.94Å; Y76-A83 HydrophobicContact CE2-CB 3.94Å; Y78-A83 HydrophobicContact CD1-CB 3.99Å; Y78-A83 HydrophobicContact CD2-CB 4.37Å; Y78-A83 HydrophobicContact CE1-CB 3.58Å; Y78-A83 HydrophobicContact CE2-CB 4Å; Y78-A83 HydrophobicContact CG-CB 4.37Å
84F98.6Very high97.3Very high2 Ų232 Ų321%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-123.9123.7-178.9-66.3-99.3000108.5A26 L30 I39 I43 I58 V59 Y76 F77 L79 N82A26-F84 HydrophobicContact CB-CD1 3.79Å; A26-F84 HydrophobicContact CB-CE1 3.68Å; A26-F84 HydrophobicContact CB-CG 4.34Å; A26-F84 HydrophobicContact CB-CZ 4.17Å; L30-F84 HydrophobicContact CD1-CE2 4.35Å; L30-F84 HydrophobicContact CD1-CZ 3.85Å; L30-F84 HydrophobicContact CD2-CZ 4.26Å; L30-F84 HydrophobicContact CG-CZ 4.07Å; I39-F84 HydrophobicContact CG2-CE1 3.76Å; I39-F84 HydrophobicContact CG2-CZ 4.38Å; I43-F84 HydrophobicContact CD1-CD1 3.69Å; I43-F84 HydrophobicContact CD1-CE1 3.73Å; I58-F84 WeakPolarHBondContact O-CA 3.43Å; V59-F84 HydrophobicContact CB-CD1 4.49Å; V59-F84 HydrophobicContact CB-CE1 4.41Å; V59-F84 HydrophobicContact CG1-CD1 4.27Å; V59-F84 HydrophobicContact CG1-CE1 3.83Å; V59-F84 HydrophobicContact CG1-CZ 4.01Å; V59-F84 HydrophobicContact CG2-CD1 3.57Å; V59-F84 HydrophobicContact CG2-CE1 3.65Å; V59-F84 HydrophobicContact CG2-CG 4.48Å; Y76-F84 WeakPolarHBondContact CA-O 3.33Å; Y76-F84 WeakPolarHBondContact CD2-O 2.99Å; F77-F84 HydrophobicContact CD1-CB 3.91Å; F77-F84 HydrophobicContact CD2-CB 4.3Å; F77-F84 HydrophobicContact CD2-CD2 4.35Å; F77-F84 HydrophobicContact CE1-CB 3.56Å; F77-F84 HydrophobicContact CE1-CG 4.32Å; F77-F84 HydrophobicContact CE2-CB 3.96Å; F77-F84 AromaticContact CE2-CD2 3.96Å; F77-F84 HydrophobicContact CE2-CD2 3.96Å; F77-F84 AromaticContact CE2-CG 3.95Å; F77-F84 HydrophobicContact CE2-CG 3.95Å; F77-F84 HydrophobicContact CG-CB 4.29Å; F77-F84 HydrophobicContact CZ-CB 3.59Å; F77-F84 HydrophobicContact CZ-CD1 4.34Å; F77-F84 HydrophobicContact CZ-CD2 4.33Å; F77-F84 AromaticContact CZ-CG 3.84Å; F77-F84 HydrophobicContact CZ-CG 3.84Å; F77-F84 PolarHBondContact N-O 3.25Å; F77-F84 PolarHBondContact O-N 3.39Å; L79-F84 HydrophobicContact CB-CD2 4.43Å; L79-F84 HydrophobicContact CB-CE2 3.84Å; L79-F84 HydrophobicContact CD1-CE2 4.2Å; L79-F84 HydrophobicContact CD1-CZ 4.47Å; L79-F84 HydrophobicContact CG-CE2 4.33Å; N82-F84 HydrophobicContact CB-CD2 4.49Å; N82-F84 HydrophobicContact CB-CE2 3.62Å; N82-F84 HydrophobicContact CB-CZ 4.07Å; N82-F84 WeakPolarHBondContact O-CD2 3.19Å; N82-F84 WeakPolarHBondContact O-CE2 3.47Å
85L98.8Very high97.2Very high1 Ų132.9 Ų32.91%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-115.9118.3169.4-179.871.3000107.9C57 I58 F63 S65 V67 F74 Y76 F87C57-L85 CarbonylContact C-O 3.46Å; C57-L85 VanDerWaalsContact CA-O 3.31Å; C57-L85 WeakPolarHBondContact CA-O 3.48Å; I58-L85 HydrophobicContact CB-CB 4.19Å; I58-L85 HydrophobicContact CD1-CD2 3.92Å; I58-L85 HydrophobicContact CG1-CD2 4.41Å; I58-L85 PolarHBondContact N-O 3.03Å; I58-L85 PolarHBondContact O-N 3.09Å; F63-L85 HydrophobicContact CE2-CB 4.11Å; F63-L85 HydrophobicContact CE2-CD2 4.5Å; F63-L85 HydrophobicContact CZ-CB 4.13Å; S65-L85 WeakPolarHBondContact OG-CD2 3.3Å; V67-L85 HydrophobicContact CG1-CD2 4.41Å; V67-L85 HydrophobicContact CG2-CD2 4.34Å; F74-L85 HydrophobicContact CD2-CD1 4.44Å; F74-L85 HydrophobicContact CE2-CD1 3.5Å; F74-L85 VanDerWaalsContact CE2-CD1 3.5Å; F74-L85 HydrophobicContact CZ-CD1 3.53Å; Y76-L85 HydrophobicContact CD2-CB 4.25Å; Y76-L85 HydrophobicContact CD2-CD1 4.19Å; Y76-L85 HydrophobicContact CG-CD1 4.41Å; L85-F87 HydrophobicContact CD2-CD1 4.21Å; L85-F87 HydrophobicContact CD2-CE1 4.14Å; L85-F87 HydrophobicContact CG-CD1 4.04Å; L85-F87 HydrophobicContact CG-CE1 4.42Å
86L98.9Very high97.1Very high2 Ų235.1 Ų35.11%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-128.9123.5-179.6176.166.5000108.5A22 I43 F47 W55 H56 C57 I75A22-L86 HydrophobicContact CB-CD2 3.91Å; I43-L86 HydrophobicContact CG2-CD1 4Å; I43-L86 HydrophobicContact CG2-CD2 3.87Å; I43-L86 HydrophobicContact CG2-CG 4.5Å; F47-L86 HydrophobicContact CD1-CD2 3.66Å; F47-L86 HydrophobicContact CD1-CG 4.37Å; F47-L86 HydrophobicContact CD2-CD2 3.94Å; F47-L86 HydrophobicContact CE1-CD2 3.55Å; F47-L86 HydrophobicContact CE2-CD2 3.85Å; F47-L86 HydrophobicContact CG-CD1 4.41Å; F47-L86 HydrophobicContact CG-CD2 3.87Å; F47-L86 HydrophobicContact CZ-CD2 3.67Å; W55-L86 HydrophobicContact CB-CD1 4.5Å; W55-L86 HydrophobicContact CE3-CD1 3.72Å; W55-L86 HydrophobicContact CE3-CD2 4.41Å; W55-L86 HydrophobicContact CE3-CG 3.76Å; W55-L86 HydrophobicContact CZ3-CD1 4.39Å; W55-L86 HydrophobicContact CZ3-CD2 4.35Å; W55-L86 HydrophobicContact CZ3-CG 3.92Å; H56-L86 WeakPolarHBondContact O-CA 3.25Å; H56-L86 WeakPolarHBondContact O-CD1 3.47Å; C57-L86 HydrophobicContact CB-CD1 4Å; I75-L86 HydrophobicContact CG2-CB 3.82Å; I75-L86 HydrophobicContact CG2-CD2 4.25Å; I75-L86 HydrophobicContact CG2-CG 4.42Å; I75-L86 PolarHBondContact N-O 2.83Å; I75-L86 PolarHBondContact O-N 3.37Å
87F98.8Very high97Very high18 Ų1833.9 Ų33.98%0.07922%0.222CC..EExtended strand (participates in β ladder)trans-150.5154.6-177.867.5-82000112.3W55 H56 V67 H69 H73 F74 L85W55-F87 CarbonylContact C-O 3.58Å; W55-F87 WeakPolarHBondContact CA-O 3.41Å; H56-F87 HydrophobicContact CB-CD1 4.04Å; H56-F87 HydrophobicContact CB-CD2 4.23Å; H56-F87 HydrophobicContact CB-CE1 3.57Å; H56-F87 HydrophobicContact CB-CE2 3.78Å; H56-F87 HydrophobicContact CB-CG 4.36Å; H56-F87 HydrophobicContact CB-CZ 3.43Å; H56-F87 VanDerWaalsContact CB-CZ 3.43Å; H56-F87 AromaticContact CD2-CE2 3.69Å; H56-F87 AromaticContact CG-CE2 3.85Å; H56-F87 AromaticContact CG-CZ 3.86Å; H56-F87 PolarHBondContact N-O 2.62Å; H56-F87 PolarHBondContact O-N 2.95Å; V67-F87 HydrophobicContact CB-CE1 4.27Å; V67-F87 HydrophobicContact CB-CE2 4.09Å; V67-F87 HydrophobicContact CB-CZ 3.94Å; V67-F87 HydrophobicContact CG1-CE1 4.01Å; V67-F87 HydrophobicContact CG1-CE2 4.45Å; V67-F87 HydrophobicContact CG1-CZ 3.81Å; V67-F87 HydrophobicContact CG2-CD1 4.22Å; V67-F87 HydrophobicContact CG2-CD2 4.42Å; V67-F87 HydrophobicContact CG2-CE1 4.2Å; V67-F87 HydrophobicContact CG2-CE2 4.41Å; V67-F87 HydrophobicContact CG2-CG 4.33Å; V67-F87 HydrophobicContact CG2-CZ 4.3Å; H69-F87 HydrophobicContact CB-CB 3.9Å; H69-F87 HydrophobicContact CB-CD2 4.01Å; H69-F87 HydrophobicContact CB-CG 4.37Å; H73-F87 CarbonylContact O-C 3.56Å; H73-F87 WeakPolarHBondContact O-CA 3.2Å; F74-F87 HydrophobicContact CB-CB 4.43Å; F74-F87 HydrophobicContact CD2-CB 3.73Å; F74-F87 HydrophobicContact CG-CB 4.48Å; L85-F87 HydrophobicContact CD2-CD1 4.21Å; L85-F87 HydrophobicContact CD2-CE1 4.14Å; L85-F87 HydrophobicContact CG-CD1 4.04Å; L85-F87 HydrophobicContact CG-CE1 4.42Å
88K98.7Very high96.9Very high20 Ų2036.4 Ų36.49%0.08724%0.239CC..EExtended strand (participates in β ladder)trans-100.7134.6174.6-164.2-179168.8145.60111Y51 N52 P53 T54 W55 H69 E70 H73Y51-K88 PolarHBondContact O-NZ 3.47Å; N52-K88 PolarHBondContact O-NZ 3.4Å; P53-K88 WeakPolarHBondContact O-CE 3.44Å; P53-K88 PolarHBondContact O-NZ 3.16Å; T54-K88 WeakPolarHBondContact O-CA 3.49Å; T54-K88 WeakPolarHBondContact O-CG 3.42Å; W55-K88 HydrophobicContact CD2-CB 4.12Å; W55-K88 HydrophobicContact CD2-CG 4.44Å; W55-K88 HydrophobicContact CE3-CB 4.21Å; W55-K88 HydrophobicContact CZ2-CB 4.45Å; W55-K88 HydrophobicContact CZ2-CD 4.46Å; W55-K88 HydrophobicContact CZ3-CB 4.42Å; H69-K88 CarbonylContact C-O 3.53Å; H69-K88 VanDerWaalsContact CA-O 3.25Å; H69-K88 WeakPolarHBondContact CA-O 3.19Å; H69-K88 WeakPolarHBondContact CB-O 3.5Å; E70-K88 HydrophobicContact CB-CB 4.48Å; E70-K88 PolarHBondContact N-O 3.08Å; E70-K88 WeakPolarHBondContact OE1-CG 3.19Å; E70-K88 WeakPolarHBondContact OE2-CD 3.1Å; E70-K88 WeakPolarHBondContact OE2-CE 3.35Å; H73-K88 HydrophobicContact CB-CB 3.43Å; H73-K88 VanDerWaalsContact CB-CB 3.43Å; H73-K88 HydrophobicContact CB-CD 4.28Å; H73-K88 HydrophobicContact CB-CG 4.5Å; H73-K88 PolarHBondContact O-N 2.89Å
89S97.6Very high96.8Very high48 Ų4833.8 Ų33.834%0.33624%0.237SC..  trans-157.8112.5174.4176.30000109.5T54 H56T54-S89 PolarHBondContact O-N 2.98Å; H56-S89 PolarHBondContact NE2-O 2.79Å
90G92.8Very high96.9Very high109 Ų10936 Ų36100%1.12425%0.254SS*.  trans174.30173.700000110.7E70E70-G90 PolarHBondContact OE1-N 2.94Å; E70-G90 VanDerWaalsContact OE1-N 3.16Å

Retrieved 90 of 90 residues in 49.6 ms (Link to these results)

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