A0A5K4FDB3_SCHMA Loading...

Dynein light chain

AlphaFold DB , UniProt , Accession A0A5K4FDB3, 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
1M54.2Low81Confident145 Ų14587.3 Ų87.371%0.71446%0.461SS*.  0159.60-64.4-167.279.400107.5D3 K7M1-D3 PolarHBondContact O-N 3.36Å; M1-K7 HydrophobicContact CE-CD 3.97Å; M1-K7 HydrophobicContact SD-CB 4.33Å; M1-K7 HydrophobicContact SD-CD 3.73Å
2P53.8Low82.3Confident90 Ų9090.2 Ų90.258%0.58446%0.463SS*.  trans-53.9129.8170.2-19.531.4000108.8D4 Q5P2-D4 PolarHBondContact O-N 3.34Å; P2-Q5 PolarHBondContact O-N 2.9Å
3D60.3Low83.4Confident104 Ų10484.9 Ų84.956%0.55644%0.435SS*.THydrogen-bonded Turntrans-56.1-19.4-165.1-85.6-37.2000114.8M1 K79 S80M1-D3 PolarHBondContact O-N 3.36Å; D3-K79 WeakPolarHBondContact O-CA 3.36Å; D3-K79 PolarHBondContact O-N 3.24Å; D3-S80 PolarHBondContact OD1-OG 3.1Å
4D65.7Low84.4Confident119 Ų11984.9 Ų84.964%0.63644%0.443SS*.THydrogen-bonded Turntrans-97.7-8.6-174.1-75.6-26.7000115.8P2 T6 K79P2-D4 PolarHBondContact O-N 3.34Å; D4-T6 PolarHBondContact O-N 2.89Å; D4-K79 IonicContact OD1-NZ 2.72Å; D4-K79 PolarHBondContact OD1-NZ 3.18Å
5Q82.8Confident85.2Confident121 Ų12187.2 Ų87.257%0.56545%0.448SS*.  trans-85.9119.6-178-76.6-172.8-14.400111.8P2P2-Q5 PolarHBondContact O-N 2.9Å
6T93.9Very high86Confident53 Ų5389.4 Ų89.433%0.32546%0.461SS..  trans-75.6128.3167.2-640000109.4D4 I8 I22 F76 Y77 S78D4-T6 PolarHBondContact O-N 2.89Å; T6-I8 HydrophobicContact CG2-CD1 4.44Å; T6-I22 HydrophobicContact CG2-CD1 4.02Å; T6-I22 HydrophobicContact CG2-CG1 4.05Å; T6-I22 HydrophobicContact CG2-CG2 4.02Å; T6-F76 HydrophobicContact CG2-CD2 3.88Å; T6-F76 HydrophobicContact CG2-CE2 4.5Å; T6-Y77 CarbonylContact C-O 2.77Å; T6-Y77 VanDerWaalsContact CA-O 3.27Å; T6-Y77 WeakPolarHBondContact CA-O 3.44Å; T6-S78 PolarHBondContact OG1-OG 3.1Å
7K95.2Very high86.7Confident99 Ų9985.1 Ų85.143%0.4344%0.439SS..EExtended strand (participates in β ladder)trans-122.3114.9176.9-178.9-171.5177.8-171.90109.6M1 I9 F76 Y77M1-K7 HydrophobicContact CE-CD 3.97Å; M1-K7 HydrophobicContact SD-CB 4.33Å; M1-K7 HydrophobicContact SD-CD 3.73Å; K7-I9 HydrophobicContact CD-CD1 3.96Å; K7-I9 HydrophobicContact CG-CD1 4.21Å; K7-F76 CarbonylContact O-C 3.55Å; K7-F76 VanDerWaalsContact O-CA 3.29Å; K7-F76 WeakPolarHBondContact O-CA 3.34Å; K7-F76 WeakPolarHBondContact O-CB 3.36Å; K7-Y77 PolarHBondContact N-O 3.46Å; K7-Y77 PolarHBondContact O-N 3.19Å
8I96.9Very high87.3Confident57 Ų5781.5 Ų81.529%0.29242%0.42SS..EExtended strand (participates in β ladder)trans-72.9128.1170.4-57-54.2000109.2T6 A11 E18 I22 I74 F76T6-I8 HydrophobicContact CG2-CD1 4.44Å; I8-A11 HydrophobicContact CG2-CB 3.9Å; I8-E18 HydrophobicContact CD1-CG 4.24Å; I8-E18 WeakPolarHBondContact CG1-OE1 3.45Å; I8-I22 HydrophobicContact CD1-CD1 3.95Å; I8-I22 HydrophobicContact CD1-CG1 4.32Å; I8-I74 HydrophobicContact CD1-CD1 4.05Å; I8-F76 HydrophobicContact CD1-CB 3.5Å; I8-F76 HydrophobicContact CD1-CG 4.13Å
9I95.2Very high87.9Confident65 Ų6580.4 Ų80.433%0.33342%0.415SS..EExtended strand (participates in β ladder)trans-94.3-46.5173.1-57.2-59000109.9K7 Y75 Y77K7-I9 HydrophobicContact CD-CD1 3.96Å; K7-I9 HydrophobicContact CG-CD1 4.21Å; I9-Y75 HydrophobicContact CB-CD1 3.47Å; I9-Y75 VanDerWaalsContact CB-CD1 3.47Å; I9-Y75 HydrophobicContact CB-CE1 3.73Å; I9-Y75 HydrophobicContact CB-CG 4.19Å; I9-Y75 HydrophobicContact CG1-CD1 4Å; I9-Y75 HydrophobicContact CG1-CE1 3.82Å; I9-Y75 HydrophobicContact CG2-CD1 3.53Å; I9-Y75 HydrophobicContact CG2-CE1 3.57Å; I9-Y75 PolarHBondContact N-O 2.99Å; I9-Y77 HydrophobicContact CD1-CD2 3.53Å; I9-Y77 HydrophobicContact CD1-CE2 3.59Å; I9-Y77 HydrophobicContact CG1-CD2 3.45Å; I9-Y77 VanDerWaalsContact CG1-CD2 3.45Å; I9-Y77 HydrophobicContact CG1-CE2 3.51Å
10M95.6Very high88.4Confident75 Ų7578.9 Ų78.937%0.36941%0.407SS..EExtended strand (participates in β ladder)trans-151.4144.6171.956.4-179.580.100110Y12 L73 I74 Y75M10-Y12 HydrophobicContact CB-CE2 4.37Å; M10-Y12 HydrophobicContact SD-CE2 4.23Å; M10-L73 HydrophobicContact CG-CD2 3.74Å; M10-L73 HydrophobicContact SD-CD2 3.69Å; M10-I74 WeakPolarHBondContact O-CA 3.32Å; M10-Y75 HydrophobicContact CE-CD1 4.27Å; M10-Y75 HydrophobicContact CG-CD1 4.21Å; M10-Y75 HydrophobicContact CG-CG 4.48Å; M10-Y75 PolarHBondContact N-O 2.78Å; M10-Y75 VanDerWaalsContact N-O 3.15Å; M10-Y75 PolarHBondContact O-N 3.48Å
11A97.2Very high88.9Confident32 Ų3275.1 Ų75.126%0.26439%0.388SS..EExtended strand (participates in β ladder)trans-145119.3174.600000108.2I8 E18 I74I8-A11 HydrophobicContact CG2-CB 3.9Å; A11-E18 HydrophobicContact CB-CG 4.34Å; A11-I74 HydrophobicContact CB-CG1 4.04Å
12Y96.5Very high90.9Very high122 Ų12269.6 Ų69.648%0.47836%0.361SS..EExtended strand (participates in β ladder)trans-113.975.8169.6-56-68.7000106.4M10 N71 N72 L73M10-Y12 HydrophobicContact CB-CE2 4.37Å; M10-Y12 HydrophobicContact SD-CE2 4.23Å; Y12-N71 CarbonylContact O-C 3.28Å; Y12-N71 WeakPolarHBondContact O-CA 3.37Å; Y12-N72 PolarHBondContact O-N 2.91Å; Y12-N72 VanDerWaalsContact O-N 3.11Å; Y12-L73 CarbonylContact C-O 3.58Å; Y12-L73 HydrophobicContact CD2-CB 4.2Å; Y12-L73 HydrophobicContact CD2-CD2 3.79Å; Y12-L73 HydrophobicContact CE2-CD2 4.17Å; Y12-L73 PolarHBondContact N-O 3.49Å; Y12-L73 PolarHBondContact O-N 3.24Å
13M97.1Very high93Very high22 Ų2269.8 Ų69.811%0.10836%0.357CS..SBendtrans-167.7162.3176.654.6-179.65800109.9M17 E18 W54 L73 I74M13-M17 HydrophobicContact CB-CB 4.34Å; M13-M17 HydrophobicContact CB-CG 4.31Å; M13-M17 HydrophobicContact CB-SD 3.98Å; M13-M17 HydrophobicContact CE-CE 4.33Å; M13-M17 HydrophobicContact CE-CG 4.48Å; M13-M17 HydrophobicContact CG-CB 4.46Å; M13-M17 HydrophobicContact CG-CG 4.5Å; M13-M17 HydrophobicContact SD-CB 4.15Å; M13-M17 HydrophobicContact SD-CG 3.77Å; M13-M17 HydrophobicContact SD-SD 4.4Å; M13-E18 HydrophobicContact CG-CB 4.27Å; M13-E18 HydrophobicContact SD-CB 4.33Å; M13-W54 HydrophobicContact CE-CH2 4.35Å; M13-W54 HydrophobicContact CE-CZ3 4.4Å; M13-L73 VanDerWaalsContact CE-C 3.49Å; M13-I74 HydrophobicContact CE-CB 3.6Å; M13-I74 HydrophobicContact CE-CG2 3.6Å; M13-I74 HydrophobicContact SD-CB 3.8Å; M13-I74 HydrophobicContact SD-CD1 4.31Å; M13-I74 HydrophobicContact SD-CG2 3.98Å
14P97Very high94.8Very high84 Ų8466.6 Ų66.655%0.54534%0.337SS..  trans-60.9152173.6-2334.7000112.6D16 M17 E18P14-D16 VanDerWaalsContact C-N 3.28Å; P14-D16 PolarHBondContact O-N 2.86Å; P14-M17 WeakPolarHBondContact O-CB 3.45Å; P14-M17 PolarHBondContact O-N 2.79Å; P14-E18 PolarHBondContact O-N 3.2Å
15K96.9Very high96.4Very high120 Ų12060.9 Ų60.952%0.52231%0.307SS..Hα-helixtrans-59.8-35.5-174.5-170.958.7177.3-177.90113.7M17 E18 N19K15-M17 VanDerWaalsContact C-N 3.3Å; K15-M17 PolarHBondContact O-N 3.48Å; K15-E18 VanDerWaalsContact NZ-CD 3.32Å; K15-E18 IonicContact NZ-OE1 2.64Å; K15-E18 PolarHBondContact NZ-OE1 2.75Å; K15-E18 IonicContact NZ-OE2 2.63Å; K15-E18 PolarHBondContact NZ-OE2 2.89Å; K15-E18 WeakPolarHBondContact O-CB 3.19Å; K15-E18 PolarHBondContact O-N 3.22Å; K15-N19 WeakPolarHBondContact O-CB 3.34Å; K15-N19 PolarHBondContact O-N 3.23Å; K15-N19 PolarHBondContact O-ND2 3.21Å
16D97.5Very high97Very high123 Ų12358 Ų5866%0.65830%0.297SS*.Hα-helixtrans-65.8-35.7177.4-63.4-30.1000112.1P14 N19 N20P14-D16 VanDerWaalsContact C-N 3.28Å; P14-D16 PolarHBondContact O-N 2.86Å; D16-N19 PolarHBondContact O-N 2.88Å; D16-N20 VanDerWaalsContact O-CG 3.25Å; D16-N20 PolarHBondContact O-N 3.07Å; D16-N20 PolarHBondContact O-ND2 3Å
17M98Very high97.2Very high15 Ų1559.8 Ų59.87%0.07430%0.302CS..Hα-helixtrans-72.3-39.1176.7-171.4171.6-179.700111.5M13 P14 K15 N20 A21 F46 Y50 W54M13-M17 HydrophobicContact CB-CB 4.34Å; M13-M17 HydrophobicContact CB-CG 4.31Å; M13-M17 HydrophobicContact CB-SD 3.98Å; M13-M17 HydrophobicContact CE-CE 4.33Å; M13-M17 HydrophobicContact CE-CG 4.48Å; M13-M17 HydrophobicContact CG-CB 4.46Å; M13-M17 HydrophobicContact CG-CG 4.5Å; M13-M17 HydrophobicContact SD-CB 4.15Å; M13-M17 HydrophobicContact SD-CG 3.77Å; M13-M17 HydrophobicContact SD-SD 4.4Å; P14-M17 WeakPolarHBondContact O-CB 3.45Å; P14-M17 PolarHBondContact O-N 2.79Å; K15-M17 VanDerWaalsContact C-N 3.3Å; K15-M17 PolarHBondContact O-N 3.48Å; M17-N20 PolarHBondContact O-N 3.36Å; M17-A21 PolarHBondContact O-N 2.97Å; M17-F46 HydrophobicContact CE-CD1 3.72Å; M17-F46 HydrophobicContact CE-CE1 3.45Å; M17-F46 VanDerWaalsContact CE-CE1 3.45Å; M17-F46 HydrophobicContact CG-CE1 3.81Å; M17-F46 HydrophobicContact CG-CZ 4.28Å; M17-Y50 HydrophobicContact CE-CD1 4.08Å; M17-Y50 HydrophobicContact CE-CD2 3.71Å; M17-Y50 HydrophobicContact CE-CE1 4.48Å; M17-Y50 HydrophobicContact CE-CE2 4.14Å; M17-Y50 HydrophobicContact CE-CG 3.67Å; M17-Y50 HydrophobicContact CG-CD2 4.42Å; M17-Y50 HydrophobicContact CG-CE1 4.11Å; M17-Y50 HydrophobicContact CG-CE2 3.9Å; M17-Y50 HydrophobicContact SD-CD1 4.19Å; M17-Y50 HydrophobicContact SD-CE1 4.17Å; M17-Y50 HydrophobicContact SD-CG 4.36Å; M17-W54 HydrophobicContact CE-CH2 3.17Å; M17-W54 HydrophobicContact CE-CZ2 3.2Å; M17-W54 HydrophobicContact CE-CZ3 4.24Å
18E98Very high97.3Very high21 Ų2155 Ų5510%0.09828%0.282CS..Hα-helixtrans-59.2-48.5171-174.7-162.7128.600111I8 A11 M13 P14 K15 N20 A21 I22 I74I8-E18 HydrophobicContact CD1-CG 4.24Å; I8-E18 WeakPolarHBondContact CG1-OE1 3.45Å; A11-E18 HydrophobicContact CB-CG 4.34Å; M13-E18 HydrophobicContact CG-CB 4.27Å; M13-E18 HydrophobicContact SD-CB 4.33Å; P14-E18 PolarHBondContact O-N 3.2Å; K15-E18 VanDerWaalsContact NZ-CD 3.32Å; K15-E18 IonicContact NZ-OE1 2.64Å; K15-E18 PolarHBondContact NZ-OE1 2.75Å; K15-E18 IonicContact NZ-OE2 2.63Å; K15-E18 PolarHBondContact NZ-OE2 2.89Å; K15-E18 WeakPolarHBondContact O-CB 3.19Å; K15-E18 PolarHBondContact O-N 3.22Å; E18-N20 VanDerWaalsContact C-N 3.29Å; E18-N20 PolarHBondContact O-N 2.81Å; E18-A21 WeakPolarHBondContact O-CB 3.45Å; E18-A21 PolarHBondContact O-N 2.89Å; E18-A21 VanDerWaalsContact O-N 3.13Å; E18-I22 WeakPolarHBondContact O-CG1 3.31Å; E18-I22 PolarHBondContact O-N 3.11Å; E18-I74 HydrophobicContact CB-CD1 4.29Å; E18-I74 HydrophobicContact CG-CD1 3.6Å
19N97.6Very high97.3Very high60 Ų6057 Ų5732%0.32129%0.286SS..Hα-helixtrans-59.9-40.3177.3-68.2-24.8000111.5K15 D16 I22 N23K15-N19 WeakPolarHBondContact O-CB 3.34Å; K15-N19 PolarHBondContact O-N 3.23Å; K15-N19 PolarHBondContact O-ND2 3.21Å; D16-N19 PolarHBondContact O-N 2.88Å; N19-I22 PolarHBondContact O-N 2.87Å; N19-N23 WeakPolarHBondContact O-CB 3.46Å; N19-N23 PolarHBondContact O-N 3.22Å; N19-N23 PolarHBondContact O-ND2 3.45Å
20N98.3Very high97.4Very high50 Ų5058.5 Ų58.527%0.26730%0.302SS..Hα-helixtrans-63.5-39.9175.5-74.7-15.9000112.4D16 M17 E18 I22 N23 W24 Y50D16-N20 VanDerWaalsContact O-CG 3.25Å; D16-N20 PolarHBondContact O-N 3.07Å; D16-N20 PolarHBondContact O-ND2 3Å; M17-N20 PolarHBondContact O-N 3.36Å; E18-N20 VanDerWaalsContact C-N 3.29Å; E18-N20 PolarHBondContact O-N 2.81Å; N20-I22 PolarHBondContact O-N 3.41Å; N20-N23 PolarHBondContact O-N 3.04Å; N20-W24 HydrophobicContact CB-CD2 4.34Å; N20-W24 HydrophobicContact CB-CE3 4.22Å; N20-W24 HydrophobicContact CB-CH2 3.96Å; N20-W24 HydrophobicContact CB-CZ2 4.1Å; N20-W24 HydrophobicContact CB-CZ3 4.03Å; N20-W24 VanDerWaalsContact O-CB 3.32Å; N20-W24 WeakPolarHBondContact O-CB 3.19Å; N20-W24 VanDerWaalsContact O-CG 3.3Å; N20-W24 PolarHBondContact O-N 2.54Å; N20-Y50 PolarHBondContact ND2-OH 3.43Å
21A98.5Very high97.5Very high0 Ų059 Ų590%031%0.31CS..Hα-helixtrans-57.7-47.4174.900000111.8M17 E18 F25 F46 I74 F76 L85M17-A21 PolarHBondContact O-N 2.97Å; E18-A21 WeakPolarHBondContact O-CB 3.45Å; E18-A21 PolarHBondContact O-N 2.89Å; E18-A21 VanDerWaalsContact O-N 3.13Å; A21-F25 WeakPolarHBondContact O-CB 3.15Å; A21-F25 PolarHBondContact O-N 2.83Å; A21-F46 HydrophobicContact CB-CE2 4.1Å; A21-F46 HydrophobicContact CB-CZ 3.75Å; A21-I74 HydrophobicContact CB-CD1 3.89Å; A21-I74 HydrophobicContact CB-CG2 4.12Å; A21-F76 HydrophobicContact CB-CE1 4.31Å; A21-L85 HydrophobicContact CB-CD2 4.32Å
22I97.8Very high97.6Very high29 Ų2961.4 Ų61.415%0.14931%0.312CS..Hα-helixtrans-66.1-45.8-179.9-59.1169.4000111.1T6 I8 E18 N19 N20 F25 T26T6-I22 HydrophobicContact CG2-CD1 4.02Å; T6-I22 HydrophobicContact CG2-CG1 4.05Å; T6-I22 HydrophobicContact CG2-CG2 4.02Å; I8-I22 HydrophobicContact CD1-CD1 3.95Å; I8-I22 HydrophobicContact CD1-CG1 4.32Å; E18-I22 WeakPolarHBondContact O-CG1 3.31Å; E18-I22 PolarHBondContact O-N 3.11Å; N19-I22 PolarHBondContact O-N 2.87Å; N20-I22 PolarHBondContact O-N 3.41Å; I22-F25 PolarHBondContact O-N 3.15Å; I22-T26 PolarHBondContact O-N 2.81Å; I22-T26 PolarHBondContact O-OG1 3.01Å
23N97.6Very high97.5Very high95 Ų9561.9 Ų61.951%0.50833%0.328SS..Hα-helixtrans-64.2-47.3-177.8-72.3-20.2000111.3N19 N20 F25 T26 E27N19-N23 WeakPolarHBondContact O-CB 3.46Å; N19-N23 PolarHBondContact O-N 3.22Å; N19-N23 PolarHBondContact O-ND2 3.45Å; N20-N23 PolarHBondContact O-N 3.04Å; N23-F25 VanDerWaalsContact C-N 3.33Å; N23-F25 PolarHBondContact O-N 2.89Å; N23-T26 WeakPolarHBondContact O-CB 2.75Å; N23-T26 PolarHBondContact O-N 3.43Å; N23-T26 VanDerWaalsContact O-N 3.16Å; N23-E27 PolarHBondContact O-N 3.35Å
24W98.5Very high97.5Very high36 Ų3663.7 Ų63.714%0.13634%0.341CS..Hα-helixtrans-68.7-31.7178.2-67-23.8000112.4N20 E27 A28 Y41 K45 F46 I49 Y50N20-W24 HydrophobicContact CB-CD2 4.34Å; N20-W24 HydrophobicContact CB-CE3 4.22Å; N20-W24 HydrophobicContact CB-CH2 3.96Å; N20-W24 HydrophobicContact CB-CZ2 4.1Å; N20-W24 HydrophobicContact CB-CZ3 4.03Å; N20-W24 VanDerWaalsContact O-CB 3.32Å; N20-W24 WeakPolarHBondContact O-CB 3.19Å; N20-W24 VanDerWaalsContact O-CG 3.3Å; N20-W24 PolarHBondContact O-N 2.54Å; W24-E27 PolarHBondContact O-N 3.1Å; W24-A28 VanDerWaalsContact O-CB 3.3Å; W24-A28 WeakPolarHBondContact O-CB 3.31Å; W24-A28 PolarHBondContact O-N 3.3Å; W24-Y41 HydrophobicContact CB-CE1 3.96Å; W24-Y41 WeakPolarHBondContact O-CE1 3.48Å; W24-K45 HydrophobicContact CD2-CB 4.01Å; W24-K45 HydrophobicContact CD2-CD 4.44Å; W24-K45 HydrophobicContact CD2-CG 4.21Å; W24-K45 HydrophobicContact CE3-CB 3.57Å; W24-K45 HydrophobicContact CE3-CG 4.27Å; W24-K45 HydrophobicContact CG-CG 4.46Å; W24-K45 HydrophobicContact CH2-CB 4.46Å; W24-K45 HydrophobicContact CZ3-CB 3.82Å; W24-F46 AromaticContact CE3-CD2 3.65Å; W24-F46 HydrophobicContact CE3-CD2 3.65Å; W24-F46 AromaticContact CE3-CE2 3.41Å; W24-F46 HydrophobicContact CE3-CE2 3.41Å; W24-F46 VanDerWaalsContact CE3-CE2 3.41Å; W24-F46 HydrophobicContact CE3-CZ 4.44Å; W24-F46 AromaticContact CZ3-CD2 3.55Å; W24-F46 HydrophobicContact CZ3-CD2 3.55Å; W24-F46 AromaticContact CZ3-CE2 3.46Å; W24-F46 HydrophobicContact CZ3-CE2 3.46Å; W24-F46 VanDerWaalsContact CZ3-CE2 3.46Å; W24-F46 HydrophobicContact CZ3-CG 4.39Å; W24-F46 HydrophobicContact CZ3-CZ 4.23Å; W24-I49 HydrophobicContact CH2-CB 4.31Å; W24-I49 HydrophobicContact CH2-CG1 3.93Å; W24-Y50 HydrophobicContact CH2-CE2 4Å; W24-Y50 AromaticContact CZ3-CE2 3.9Å; W24-Y50 HydrophobicContact CZ3-CE2 3.9Å
25F98.2Very high97.6Very high0 Ų063.6 Ų63.60%033%0.332CS..Hα-helixtrans-63.5-42.3168.7176.1-103.4000112.6A21 I22 N23 E27 A28 Y29 L42 I58 F76 K79 L81 I83A21-F25 WeakPolarHBondContact O-CB 3.15Å; A21-F25 PolarHBondContact O-N 2.83Å; I22-F25 PolarHBondContact O-N 3.15Å; N23-F25 VanDerWaalsContact C-N 3.33Å; N23-F25 PolarHBondContact O-N 2.89Å; F25-E27 VanDerWaalsContact C-N 3.3Å; F25-E27 PolarHBondContact O-N 2.96Å; F25-A28 PolarHBondContact O-N 3.4Å; F25-Y29 HydrophobicContact CZ-CD2 4.03Å; F25-Y29 VanDerWaalsContact O-CB 3.31Å; F25-Y29 WeakPolarHBondContact O-CB 3.35Å; F25-Y29 PolarHBondContact O-N 3.05Å; F25-L42 HydrophobicContact CB-CD1 4.21Å; F25-L42 HydrophobicContact CB-CD2 4.19Å; F25-L42 HydrophobicContact CD2-CD1 4.18Å; F25-I58 HydrophobicContact CD2-CD1 4.13Å; F25-I58 HydrophobicContact CE2-CD1 4.05Å; F25-I58 HydrophobicContact CE2-CG2 4.47Å; F25-F76 HydrophobicContact CB-CE2 4.26Å; F25-F76 HydrophobicContact CB-CZ 3.89Å; F25-F76 AromaticContact CD1-CE2 3.97Å; F25-F76 HydrophobicContact CD1-CE2 3.97Å; F25-F76 HydrophobicContact CD1-CZ 4.41Å; F25-F76 HydrophobicContact CG-CE2 4.14Å; F25-F76 HydrophobicContact CG-CZ 4.12Å; F25-K79 HydrophobicContact CE1-CG 4.32Å; F25-L81 HydrophobicContact CE2-CD1 4.49Å; F25-L81 HydrophobicContact CZ-CB 4.4Å; F25-L81 HydrophobicContact CZ-CD1 4.06Å; F25-I83 HydrophobicContact CD1-CD1 4.18Å; F25-I83 HydrophobicContact CD2-CD1 4.17Å; F25-I83 HydrophobicContact CD2-CG1 3.69Å; F25-I83 HydrophobicContact CE1-CD1 3.8Å; F25-I83 HydrophobicContact CE1-CG1 4.4Å; F25-I83 HydrophobicContact CE2-CD1 3.77Å; F25-I83 HydrophobicContact CE2-CG1 3.55Å; F25-I83 HydrophobicContact CG-CD1 4.35Å; F25-I83 HydrophobicContact CG-CG1 4.18Å; F25-I83 HydrophobicContact CZ-CD1 3.57Å; F25-I83 HydrophobicContact CZ-CG1 3.93Å
26T96.3Very high97.6Very high59 Ų5964.3 Ų64.336%0.36234%0.335SS..Hα-helixtrans-62.2-40.2177.5-56.10000111.5I22 N23 S30I22-T26 PolarHBondContact O-N 2.81Å; I22-T26 PolarHBondContact O-OG1 3.01Å; N23-T26 WeakPolarHBondContact O-CB 2.75Å; N23-T26 PolarHBondContact O-N 3.43Å; N23-T26 VanDerWaalsContact O-N 3.16Å; T26-S30 PolarHBondContact O-N 2.72Å; T26-S30 PolarHBondContact O-OG 3.3Å
27E97.4Very high97.7Very high91 Ų9161.4 Ų61.443%0.42532%0.319SS..Hα-helixtrans-63.5-47.2173.1-170.6-177.1142.200111.4N23 W24 F25 Y29 S30 T31 Y41N23-E27 PolarHBondContact O-N 3.35Å; W24-E27 PolarHBondContact O-N 3.1Å; F25-E27 VanDerWaalsContact C-N 3.3Å; F25-E27 PolarHBondContact O-N 2.96Å; E27-Y29 PolarHBondContact O-N 2.81Å; E27-S30 PolarHBondContact O-N 3.33Å; E27-T31 WeakPolarHBondContact O-CB 3.38Å; E27-T31 PolarHBondContact O-N 2.9Å; E27-T31 VanDerWaalsContact O-N 3.09Å; E27-T31 PolarHBondContact O-OG1 2.83Å; E27-Y41 PolarHBondContact OE1-OH 2.86Å; E27-Y41 PolarHBondContact OE2-OH 2.83Å; E27-Y41 VanDerWaalsContact OE2-OH 3.12Å
28A98.3Very high97.7Very high0 Ų061 Ų610%032%0.317CS..Hα-helixtrans-61.8-45.3179.600000112W24 F25 S30 T31 Y32 M38 Y41 L42W24-A28 VanDerWaalsContact O-CB 3.3Å; W24-A28 WeakPolarHBondContact O-CB 3.31Å; W24-A28 PolarHBondContact O-N 3.3Å; F25-A28 PolarHBondContact O-N 3.4Å; A28-S30 PolarHBondContact O-N 2.96Å; A28-T31 PolarHBondContact O-N 2.8Å; A28-T31 VanDerWaalsContact O-N 3.1Å; A28-Y32 HydrophobicContact CB-CD2 4.13Å; A28-Y32 WeakPolarHBondContact O-CD2 3.44Å; A28-Y32 PolarHBondContact O-N 3.37Å; A28-M38 HydrophobicContact CB-CB 4.08Å; A28-M38 HydrophobicContact CB-CG 4.19Å; A28-Y41 HydrophobicContact CB-CD1 3.62Å; A28-Y41 HydrophobicContact CB-CE1 4.16Å; A28-Y41 HydrophobicContact CB-CG 4.23Å; A28-L42 HydrophobicContact CB-CD1 3.95Å
29Y96.8Very high97.7Very high97 Ų9760.5 Ų60.538%0.3832%0.317SS..Hα-helixtrans-60.2-34.1177.9-173.7-90000112.2F25 E27 M38 K79 L81F25-Y29 HydrophobicContact CZ-CD2 4.03Å; F25-Y29 VanDerWaalsContact O-CB 3.31Å; F25-Y29 WeakPolarHBondContact O-CB 3.35Å; F25-Y29 PolarHBondContact O-N 3.05Å; E27-Y29 PolarHBondContact O-N 2.81Å; Y29-M38 HydrophobicContact CD2-CE 4.24Å; Y29-M38 HydrophobicContact CD2-SD 4.26Å; Y29-K79 HydrophobicContact CD1-CD 4.42Å; Y29-K79 HydrophobicContact CD1-CG 4.07Å; Y29-K79 HydrophobicContact CD2-CB 3.99Å; Y29-K79 HydrophobicContact CD2-CG 4.15Å; Y29-K79 HydrophobicContact CE1-CB 4.23Å; Y29-K79 HydrophobicContact CE1-CD 4.11Å; Y29-K79 HydrophobicContact CE1-CG 4.01Å; Y29-K79 HydrophobicContact CE2-CB 3.57Å; Y29-K79 HydrophobicContact CE2-CG 4.08Å; Y29-K79 HydrophobicContact CG-CB 4.48Å; Y29-K79 HydrophobicContact CG-CG 4.15Å; Y29-L81 HydrophobicContact CD2-CD1 4.07Å; Y29-L81 HydrophobicContact CE2-CD1 3.93Å
30S96.3Very high97.8Very high97 Ų9760.2 Ų60.268%0.67832%0.315SS*.Hα-helixtrans-81.2-18.9178.9-53.90000113.2T26 E27 A28T26-S30 PolarHBondContact O-N 2.72Å; T26-S30 PolarHBondContact O-OG 3.3Å; E27-S30 PolarHBondContact O-N 3.33Å; A28-S30 PolarHBondContact O-N 2.96Å
31T98.1Very high97.8Very high86 Ų8659 Ų5953%0.52831%0.307SS..Hα-helixtrans-103.1-40.7-171.8-56.90000112.5E27 A28E27-T31 WeakPolarHBondContact O-CB 3.38Å; E27-T31 PolarHBondContact O-N 2.9Å; E27-T31 VanDerWaalsContact O-N 3.09Å; E27-T31 PolarHBondContact O-OG1 2.83Å; A28-T31 PolarHBondContact O-N 2.8Å; A28-T31 VanDerWaalsContact O-N 3.1Å
32Y98.1Very high97.8Very high82 Ų8259 Ų5932%0.32231%0.307SS..  trans-108.3151.7-171.5-58.3-73.4000111.3A28 D37 M38 Y41A28-Y32 HydrophobicContact CB-CD2 4.13Å; A28-Y32 WeakPolarHBondContact O-CD2 3.44Å; A28-Y32 PolarHBondContact O-N 3.37Å; Y32-D37 HydrophobicContact CD1-CB 3.74Å; Y32-D37 HydrophobicContact CE1-CB 4.48Å; Y32-D37 HydrophobicContact CG-CB 3.87Å; Y32-M38 WeakPolarHBondContact O-CE 3.43Å; Y32-Y41 AromaticContact CE2-CD2 3.62Å; Y32-Y41 HydrophobicContact CE2-CD2 3.62Å; Y32-Y41 HydrophobicContact CE2-CE2 4.4Å; Y32-Y41 AromaticContact CE2-CG 3.72Å; Y32-Y41 HydrophobicContact CE2-CG 3.72Å; Y32-Y41 AromaticContact CZ-CD2 3.99Å; Y32-Y41 WeakPolarHBondContact OH-CD2 3.46Å
33T95.6Very high97.8Very high133 Ų13360.4 Ų60.482%0.81631%0.312SS*.SBendtrans-102.4-16.7179.754.40000113
34T97.3Very high97.9Very high59 Ų5961.8 Ų61.836%0.36232%0.315SS..SBendtrans-108.7141.5179.485.70000111K36 D37 M38T34-K36 PolarHBondContact O-N 2.96Å; T34-D37 PolarHBondContact O-N 3.36Å; T34-D37 WeakPolarHBondContact OG1-CB 3.34Å; T34-D37 PolarHBondContact OG1-N 3.3Å; T34-D37 VanDerWaalsContact OG1-N 3.1Å; T34-D37 PolarHBondContact OG1-OD2 2.99Å; T34-M38 WeakPolarHBondContact O-CG 3.4Å; T34-M38 PolarHBondContact O-N 2.83Å
35F97.5Very high97.9Very high82 Ų8263.5 Ų63.536%0.3632%0.324SS..Hα-helixtrans-63-31.1176.8-57.2-28.3000112.3M38 A39 I58 L81F35-M38 HydrophobicContact CD1-CE 4.38Å; F35-M38 HydrophobicContact CD1-SD 4.15Å; F35-M38 PolarHBondContact O-N 3.47Å; F35-A39 WeakPolarHBondContact O-CB 3.41Å; F35-A39 PolarHBondContact O-N 3.07Å; F35-I58 HydrophobicContact CB-CB 4.35Å; F35-I58 HydrophobicContact CB-CG2 4.13Å; F35-I58 HydrophobicContact CD1-CG2 4.41Å; F35-I58 HydrophobicContact CG-CG2 4.3Å; F35-L81 HydrophobicContact CD1-CD1 3.98Å; F35-L81 HydrophobicContact CD1-CD2 4.3Å; F35-L81 HydrophobicContact CE1-CD1 3.65Å; F35-L81 HydrophobicContact CE1-CD2 3.65Å; F35-L81 HydrophobicContact CE1-CG 4.29Å; F35-L81 HydrophobicContact CE2-CD2 3.99Å; F35-L81 HydrophobicContact CZ-CD1 4.35Å; F35-L81 HydrophobicContact CZ-CD2 3.47Å; F35-L81 VanDerWaalsContact CZ-CD2 3.47Å
36K98.1Very high97.9Very high136 Ų13663.5 Ų63.559%0.59132%0.324SS*.Hα-helixtrans-61.8-48.7175.7-174.6-173.1172.1-62.90110.9T34 M38 A39 D40T34-K36 PolarHBondContact O-N 2.96Å; K36-M38 VanDerWaalsContact C-N 3.3Å; K36-M38 PolarHBondContact O-N 2.86Å; K36-A39 PolarHBondContact O-N 3.13Å; K36-D40 IonicContact NZ-OD2 2.6Å; K36-D40 PolarHBondContact NZ-OD2 3.36Å; K36-D40 WeakPolarHBondContact O-CB 3.49Å; K36-D40 PolarHBondContact O-N 3Å
37D98.6Very high98Very high62 Ų6262.2 Ų62.233%0.33232%0.315SS..Hα-helixtrans-65.6-36.5-179.4-61.9-33.8000111.5Y32 T34 Y41Y32-D37 HydrophobicContact CD1-CB 3.74Å; Y32-D37 HydrophobicContact CE1-CB 4.48Å; Y32-D37 HydrophobicContact CG-CB 3.87Å; T34-D37 PolarHBondContact O-N 3.36Å; T34-D37 WeakPolarHBondContact OG1-CB 3.34Å; T34-D37 PolarHBondContact OG1-N 3.3Å; T34-D37 VanDerWaalsContact OG1-N 3.1Å; T34-D37 PolarHBondContact OG1-OD2 2.99Å; D37-Y41 WeakPolarHBondContact O-CB 3.38Å; D37-Y41 PolarHBondContact O-N 3.45Å
38M98.7Very high98Very high6 Ų665.3 Ų65.33%0.0333%0.329CS..Hα-helixtrans-61.9-47.2172.7-62.3171.9-164.200111.5A28 Y29 Y32 T34 F35 K36 Y41 L42 I58A28-M38 HydrophobicContact CB-CB 4.08Å; A28-M38 HydrophobicContact CB-CG 4.19Å; Y29-M38 HydrophobicContact CD2-CE 4.24Å; Y29-M38 HydrophobicContact CD2-SD 4.26Å; Y32-M38 WeakPolarHBondContact O-CE 3.43Å; T34-M38 WeakPolarHBondContact O-CG 3.4Å; T34-M38 PolarHBondContact O-N 2.83Å; F35-M38 HydrophobicContact CD1-CE 4.38Å; F35-M38 HydrophobicContact CD1-SD 4.15Å; F35-M38 PolarHBondContact O-N 3.47Å; K36-M38 VanDerWaalsContact C-N 3.3Å; K36-M38 PolarHBondContact O-N 2.86Å; M38-Y41 WeakPolarHBondContact O-CB 3.46Å; M38-Y41 PolarHBondContact O-N 3.24Å; M38-L42 WeakPolarHBondContact O-CD1 3.14Å; M38-L42 PolarHBondContact O-N 2.63Å; M38-I58 HydrophobicContact CB-CD1 3.69Å
39A98.8Very high98Very high11 Ų1169.7 Ų69.79%0.09135%0.352CS..Hα-helixtrans-64.1-42.718000000111.3F35 K36 Y41 L42 K43 C56 I58F35-A39 WeakPolarHBondContact O-CB 3.41Å; F35-A39 PolarHBondContact O-N 3.07Å; K36-A39 PolarHBondContact O-N 3.13Å; A39-Y41 VanDerWaalsContact C-N 3.31Å; A39-Y41 PolarHBondContact O-N 3.08Å; A39-L42 PolarHBondContact O-N 3.49Å; A39-K43 VanDerWaalsContact O-CB 3.28Å; A39-K43 WeakPolarHBondContact O-CB 3.4Å; A39-K43 PolarHBondContact O-N 2.9Å; A39-C56 HydrophobicContact CB-CB 4.12Å; A39-C56 WeakPolarHBondContact O-CB 3.46Å; A39-I58 HydrophobicContact CB-CB 4.49Å; A39-I58 HydrophobicContact CB-CD1 3.96Å; A39-I58 HydrophobicContact CB-CG1 4.02Å
40D98.7Very high98Very high53 Ų5368.2 Ų68.228%0.28335%0.346SS..Hα-helixtrans-61.5-39.8175.4-76.4-24000111.3K36 Q44K36-D40 IonicContact NZ-OD2 2.6Å; K36-D40 PolarHBondContact NZ-OD2 3.36Å; K36-D40 WeakPolarHBondContact O-CB 3.49Å; K36-D40 PolarHBondContact O-N 3Å; D40-Q44 VanDerWaalsContact O-CB 3.31Å; D40-Q44 WeakPolarHBondContact O-CB 3.28Å; D40-Q44 WeakPolarHBondContact O-CG 3.36Å; D40-Q44 PolarHBondContact O-N 3.17Å; D40-Q44 PolarHBondContact O-NE2 2.93Å; D40-Q44 VanDerWaalsContact O-NE2 3.13Å
41Y98.8Very high98Very high25 Ų2565.1 Ų65.110%0.09833%0.329CS..Hα-helixtrans-63.1-50.3175.8174-88.5000112.1W24 E27 A28 Y32 D37 M38 A39 K43 Q44 K45W24-Y41 HydrophobicContact CB-CE1 3.96Å; W24-Y41 WeakPolarHBondContact O-CE1 3.48Å; E27-Y41 PolarHBondContact OE1-OH 2.86Å; E27-Y41 PolarHBondContact OE2-OH 2.83Å; E27-Y41 VanDerWaalsContact OE2-OH 3.12Å; A28-Y41 HydrophobicContact CB-CD1 3.62Å; A28-Y41 HydrophobicContact CB-CE1 4.16Å; A28-Y41 HydrophobicContact CB-CG 4.23Å; Y32-Y41 AromaticContact CE2-CD2 3.62Å; Y32-Y41 HydrophobicContact CE2-CD2 3.62Å; Y32-Y41 HydrophobicContact CE2-CE2 4.4Å; Y32-Y41 AromaticContact CE2-CG 3.72Å; Y32-Y41 HydrophobicContact CE2-CG 3.72Å; Y32-Y41 AromaticContact CZ-CD2 3.99Å; Y32-Y41 WeakPolarHBondContact OH-CD2 3.46Å; D37-Y41 WeakPolarHBondContact O-CB 3.38Å; D37-Y41 PolarHBondContact O-N 3.45Å; M38-Y41 WeakPolarHBondContact O-CB 3.46Å; M38-Y41 PolarHBondContact O-N 3.24Å; A39-Y41 VanDerWaalsContact C-N 3.31Å; A39-Y41 PolarHBondContact O-N 3.08Å; Y41-K43 PolarHBondContact O-N 3.42Å; Y41-Q44 PolarHBondContact O-N 3.31Å; Y41-K45 HydrophobicContact CD1-CG 4.41Å; Y41-K45 HydrophobicContact CE1-CG 3.98Å; Y41-K45 HydrophobicContact CE2-CG 4.38Å; Y41-K45 VanDerWaalsContact CZ-CE 3.45Å; Y41-K45 WeakPolarHBondContact O-CG 3.3Å; Y41-K45 PolarHBondContact O-N 3.25Å; Y41-K45 WeakPolarHBondContact OH-CE 3.46Å
42L98.5Very high97.9Very high0 Ų069.9 Ų69.90%034%0.338CS..Hα-helixtrans-59.4-48.6177.8-90.785.4000111.1F25 A28 M38 A39 Q44 K45 F46 C56 I58 I83 L85F25-L42 HydrophobicContact CB-CD1 4.21Å; F25-L42 HydrophobicContact CB-CD2 4.19Å; F25-L42 HydrophobicContact CD2-CD1 4.18Å; A28-L42 HydrophobicContact CB-CD1 3.95Å; M38-L42 WeakPolarHBondContact O-CD1 3.14Å; M38-L42 PolarHBondContact O-N 2.63Å; A39-L42 PolarHBondContact O-N 3.49Å; L42-Q44 VanDerWaalsContact C-N 3.31Å; L42-Q44 PolarHBondContact O-N 2.64Å; L42-K45 PolarHBondContact O-N 3.13Å; L42-F46 WeakPolarHBondContact O-CD2 3.5Å; L42-F46 PolarHBondContact O-N 3.46Å; L42-C56 HydrophobicContact CB-CB 4.45Å; L42-I58 HydrophobicContact CD1-CD1 4.36Å; L42-I83 HydrophobicContact CD2-CG2 3.98Å; L42-L85 HydrophobicContact CD2-CD2 4.47Å
43K98.6Very high97.8Very high58 Ų5868.8 Ų68.825%0.25234%0.337SS..Hα-helixtrans-55-48.8177.7174.2-177.6174.9-560110.8A39 Y41 F46 D47 W54 C56A39-K43 VanDerWaalsContact O-CB 3.28Å; A39-K43 WeakPolarHBondContact O-CB 3.4Å; A39-K43 PolarHBondContact O-N 2.9Å; Y41-K43 PolarHBondContact O-N 3.42Å; K43-F46 PolarHBondContact O-N 3.21Å; K43-D47 IonicContact NZ-OD2 3.43Å; K43-D47 PolarHBondContact NZ-OD2 2.86Å; K43-D47 WeakPolarHBondContact O-CB 3.35Å; K43-D47 PolarHBondContact O-N 2.94Å; K43-W54 WeakPolarHBondContact CD-O 3.49Å; K43-W54 WeakPolarHBondContact CE-O 3.32Å; K43-W54 HydrophobicContact CG-CB 4.39Å; K43-W54 WeakPolarHBondContact CG-O 3.28Å; K43-C56 HydrophobicContact CB-CB 4.21Å
44Q98.4Very high97.9Very high124 Ų12462.4 Ų62.458%0.57930%0.298SS*.Hα-helixtrans-64.1-42.1-178.8-76.7171.363.200112.5D40 Y41 L42 D47 H48D40-Q44 VanDerWaalsContact O-CB 3.31Å; D40-Q44 WeakPolarHBondContact O-CB 3.28Å; D40-Q44 WeakPolarHBondContact O-CG 3.36Å; D40-Q44 PolarHBondContact O-N 3.17Å; D40-Q44 PolarHBondContact O-NE2 2.93Å; D40-Q44 VanDerWaalsContact O-NE2 3.13Å; Y41-Q44 PolarHBondContact O-N 3.31Å; L42-Q44 VanDerWaalsContact C-N 3.31Å; L42-Q44 PolarHBondContact O-N 2.64Å; Q44-D47 PolarHBondContact O-N 3.44Å; Q44-H48 VanDerWaalsContact O-CB 3.28Å; Q44-H48 WeakPolarHBondContact O-CB 3.44Å; Q44-H48 PolarHBondContact O-N 2.94Å
45K98.4Very high98Very high72 Ų7263.5 Ų63.531%0.31330%0.299SS..Hα-helixtrans-60.5-45.7175.1-76.9-72.9-164.6170.50111.6W24 Y41 L42 H48 I49W24-K45 HydrophobicContact CD2-CB 4.01Å; W24-K45 HydrophobicContact CD2-CD 4.44Å; W24-K45 HydrophobicContact CD2-CG 4.21Å; W24-K45 HydrophobicContact CE3-CB 3.57Å; W24-K45 HydrophobicContact CE3-CG 4.27Å; W24-K45 HydrophobicContact CG-CG 4.46Å; W24-K45 HydrophobicContact CH2-CB 4.46Å; W24-K45 HydrophobicContact CZ3-CB 3.82Å; Y41-K45 HydrophobicContact CD1-CG 4.41Å; Y41-K45 HydrophobicContact CE1-CG 3.98Å; Y41-K45 HydrophobicContact CE2-CG 4.38Å; Y41-K45 VanDerWaalsContact CZ-CE 3.45Å; Y41-K45 WeakPolarHBondContact O-CG 3.3Å; Y41-K45 PolarHBondContact O-N 3.25Å; Y41-K45 WeakPolarHBondContact OH-CE 3.46Å; L42-K45 PolarHBondContact O-N 3.13Å; K45-H48 PolarHBondContact O-N 3.39Å; K45-I49 WeakPolarHBondContact O-CG1 3.31Å; K45-I49 PolarHBondContact O-N 3.28Å
46F98.5Very high98Very high0 Ų060.5 Ų60.50%029%0.288CS..Hα-helixtrans-68.4-42.3178.7-90.2-108.5000112.5M17 A21 W24 L42 K43 H48 I49 Y50 W54 L85M17-F46 HydrophobicContact CE-CD1 3.72Å; M17-F46 HydrophobicContact CE-CE1 3.45Å; M17-F46 VanDerWaalsContact CE-CE1 3.45Å; M17-F46 HydrophobicContact CG-CE1 3.81Å; M17-F46 HydrophobicContact CG-CZ 4.28Å; A21-F46 HydrophobicContact CB-CE2 4.1Å; A21-F46 HydrophobicContact CB-CZ 3.75Å; W24-F46 AromaticContact CE3-CD2 3.65Å; W24-F46 HydrophobicContact CE3-CD2 3.65Å; W24-F46 AromaticContact CE3-CE2 3.41Å; W24-F46 HydrophobicContact CE3-CE2 3.41Å; W24-F46 VanDerWaalsContact CE3-CE2 3.41Å; W24-F46 HydrophobicContact CE3-CZ 4.44Å; W24-F46 AromaticContact CZ3-CD2 3.55Å; W24-F46 HydrophobicContact CZ3-CD2 3.55Å; W24-F46 AromaticContact CZ3-CE2 3.46Å; W24-F46 HydrophobicContact CZ3-CE2 3.46Å; W24-F46 VanDerWaalsContact CZ3-CE2 3.46Å; W24-F46 HydrophobicContact CZ3-CG 4.39Å; W24-F46 HydrophobicContact CZ3-CZ 4.23Å; L42-F46 WeakPolarHBondContact O-CD2 3.5Å; L42-F46 PolarHBondContact O-N 3.46Å; K43-F46 PolarHBondContact O-N 3.21Å; F46-H48 PolarHBondContact O-N 2.98Å; F46-I49 PolarHBondContact O-N 3.46Å; F46-Y50 HydrophobicContact CB-CD2 4.26Å; F46-Y50 AromaticContact CD1-CD2 3.4Å; F46-Y50 HydrophobicContact CD1-CD2 3.4Å; F46-Y50 AromaticContact CD1-CE2 3.85Å; F46-Y50 HydrophobicContact CD1-CE2 3.85Å; F46-Y50 HydrophobicContact CD1-CG 4.41Å; F46-Y50 AromaticContact CE1-CD2 3.74Å; F46-Y50 HydrophobicContact CE1-CD2 3.74Å; F46-Y50 AromaticContact CE1-CE2 3.73Å; F46-Y50 HydrophobicContact CE1-CE2 3.73Å; F46-Y50 HydrophobicContact CE2-CE2 4.45Å; F46-Y50 AromaticContact CG-CD2 3.84Å; F46-Y50 HydrophobicContact CG-CD2 3.84Å; F46-Y50 HydrophobicContact CG-CE2 4.24Å; F46-Y50 HydrophobicContact CZ-CD2 4.42Å; F46-Y50 HydrophobicContact CZ-CE2 4.02Å; F46-Y50 WeakPolarHBondContact O-CA 3.38Å; F46-Y50 WeakPolarHBondContact O-CB 3.48Å; F46-Y50 PolarHBondContact O-N 3.03Å; F46-W54 HydrophobicContact CB-CB 4.1Å; F46-W54 HydrophobicContact CB-CD2 3.75Å; F46-W54 HydrophobicContact CB-CE3 4.32Å; F46-W54 HydrophobicContact CB-CG 3.59Å; F46-W54 AromaticContact CD1-CD2 3.79Å; F46-W54 HydrophobicContact CD1-CD2 3.79Å; F46-W54 AromaticContact CD1-CE2 3.81Å; F46-W54 AromaticContact CD1-CE3 3.79Å; F46-W54 HydrophobicContact CD1-CE3 3.79Å; F46-W54 AromaticContact CD1-CH2 3.9Å; F46-W54 HydrophobicContact CD1-CH2 3.9Å; F46-W54 AromaticContact CD1-CZ2 3.89Å; F46-W54 HydrophobicContact CD1-CZ2 3.89Å; F46-W54 AromaticContact CD1-CZ3 3.83Å; F46-W54 HydrophobicContact CD1-CZ3 3.83Å; F46-W54 HydrophobicContact CE1-CH2 4.26Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.19Å; F46-W54 HydrophobicContact CG-CE3 4.36Å; F46-L85 HydrophobicContact CD1-CD2 3.69Å; F46-L85 HydrophobicContact CD1-CG 4.43Å; F46-L85 HydrophobicContact CD2-CD2 3.54Å; F46-L85 HydrophobicContact CE1-CD2 3.54Å; F46-L85 HydrophobicContact CE2-CD2 3.38Å; F46-L85 HydrophobicContact CG-CD1 4.45Å; F46-L85 HydrophobicContact CG-CD2 3.71Å; F46-L85 HydrophobicContact CG-CG 4.49Å; F46-L85 HydrophobicContact CZ-CD2 3.41Å; F46-L85 VanDerWaalsContact CZ-CD2 3.41Å
47D98.1Very high98Very high32 Ų3257.1 Ų57.117%0.17128%0.279CS..Hα-helixtrans-57.2-38.9173.8-81.9-25.5000111.6K43 Q44 G51 R52 N53 W54K43-D47 IonicContact NZ-OD2 3.43Å; K43-D47 PolarHBondContact NZ-OD2 2.86Å; K43-D47 WeakPolarHBondContact O-CB 3.35Å; K43-D47 PolarHBondContact O-N 2.94Å; Q44-D47 PolarHBondContact O-N 3.44Å; D47-G51 WeakPolarHBondContact CA-O 3.28Å; D47-G51 CarbonylContact O-C 3.54Å; D47-G51 VanDerWaalsContact O-C 3.28Å; D47-G51 WeakPolarHBondContact O-CA 3.47Å; D47-G51 PolarHBondContact O-N 2.92Å; D47-R52 VanDerWaalsContact OD1-CA 3.31Å; D47-R52 WeakPolarHBondContact OD1-CA 3.12Å; D47-N53 PolarHBondContact OD1-N 3.37Å; D47-W54 WeakPolarHBondContact OD1-CB 3.44Å; D47-W54 PolarHBondContact OD1-N 3.47Å
48H97.9Very high98Very high157 Ų15755.1 Ų55.173%0.72727%0.268SS*.Hα-helixtrans-72.6-42.4-178.9-176.663.3000113.1Q44 K45 F46Q44-H48 VanDerWaalsContact O-CB 3.28Å; Q44-H48 WeakPolarHBondContact O-CB 3.44Å; Q44-H48 PolarHBondContact O-N 2.94Å; K45-H48 PolarHBondContact O-N 3.39Å; F46-H48 PolarHBondContact O-N 2.98Å
49I97.8Very high97.9Very high92 Ų9255.5 Ų55.547%0.47227%0.273SS..Hα-helixtrans-91.8-36.9-173-59.1-61.5000112.4W24 K45 F46W24-I49 HydrophobicContact CH2-CB 4.31Å; W24-I49 HydrophobicContact CH2-CG1 3.93Å; K45-I49 WeakPolarHBondContact O-CG1 3.31Å; K45-I49 PolarHBondContact O-N 3.28Å; F46-I49 PolarHBondContact O-N 3.46Å
50Y96.8Very high97.7Very high65 Ų6562.9 Ų62.926%0.25530%0.299SS..Hα-helixtrans-114.812.1-170.9-53.7-65.4000113.4M17 N20 W24 F46 K87M17-Y50 HydrophobicContact CE-CD1 4.08Å; M17-Y50 HydrophobicContact CE-CD2 3.71Å; M17-Y50 HydrophobicContact CE-CE1 4.48Å; M17-Y50 HydrophobicContact CE-CE2 4.14Å; M17-Y50 HydrophobicContact CE-CG 3.67Å; M17-Y50 HydrophobicContact CG-CD2 4.42Å; M17-Y50 HydrophobicContact CG-CE1 4.11Å; M17-Y50 HydrophobicContact CG-CE2 3.9Å; M17-Y50 HydrophobicContact SD-CD1 4.19Å; M17-Y50 HydrophobicContact SD-CE1 4.17Å; M17-Y50 HydrophobicContact SD-CG 4.36Å; N20-Y50 PolarHBondContact ND2-OH 3.43Å; W24-Y50 HydrophobicContact CH2-CE2 4Å; W24-Y50 AromaticContact CZ3-CE2 3.9Å; W24-Y50 HydrophobicContact CZ3-CE2 3.9Å; F46-Y50 HydrophobicContact CB-CD2 4.26Å; F46-Y50 AromaticContact CD1-CD2 3.4Å; F46-Y50 HydrophobicContact CD1-CD2 3.4Å; F46-Y50 AromaticContact CD1-CE2 3.85Å; F46-Y50 HydrophobicContact CD1-CE2 3.85Å; F46-Y50 HydrophobicContact CD1-CG 4.41Å; F46-Y50 AromaticContact CE1-CD2 3.74Å; F46-Y50 HydrophobicContact CE1-CD2 3.74Å; F46-Y50 AromaticContact CE1-CE2 3.73Å; F46-Y50 HydrophobicContact CE1-CE2 3.73Å; F46-Y50 HydrophobicContact CE2-CE2 4.45Å; F46-Y50 AromaticContact CG-CD2 3.84Å; F46-Y50 HydrophobicContact CG-CD2 3.84Å; F46-Y50 HydrophobicContact CG-CE2 4.24Å; F46-Y50 HydrophobicContact CZ-CD2 4.42Å; F46-Y50 HydrophobicContact CZ-CE2 4.02Å; F46-Y50 WeakPolarHBondContact O-CA 3.38Å; F46-Y50 WeakPolarHBondContact O-CB 3.48Å; F46-Y50 PolarHBondContact O-N 3.03Å; Y50-K87 PolarHBondContact O-NZ 3.09Å
51G96Very high97.4Very high32 Ų3267.4 Ų67.433%0.3332%0.323SS..  trans81.4165.3-178.600000112.9D47 W54D47-G51 WeakPolarHBondContact CA-O 3.28Å; D47-G51 CarbonylContact O-C 3.54Å; D47-G51 VanDerWaalsContact O-C 3.28Å; D47-G51 WeakPolarHBondContact O-CA 3.47Å; D47-G51 PolarHBondContact O-N 2.92Å; G51-W54 PolarHBondContact O-NE1 2.82Å
52R96.3Very high97.3Very high187 Ų18768 Ų6871%0.70633%0.326SS*.SBendtrans-67.6174-163.9-59.8176.966.8169.70.8114.3D47 K87D47-R52 VanDerWaalsContact OD1-CA 3.31Å; D47-R52 WeakPolarHBondContact OD1-CA 3.12Å; R52-K87 WeakPolarHBondContact O-CE 3.27Å
53N96.5Very high97Very high58 Ų5877.4 Ų77.431%0.3137%0.37SS..  trans7426.9170-51.1-45.4000114.9D47 T88 A89 Y90D47-N53 PolarHBondContact OD1-N 3.37Å; N53-T88 PolarHBondContact O-N 2.99Å; N53-T88 PolarHBondContact O-OG1 2.77Å; N53-A89 HydrophobicContact CB-CB 4.08Å; N53-Y90 PolarHBondContact ND2-O 3.21Å
54W98.5Very high96.8Very high0 Ų077.5 Ų77.50%038%0.378CS..EExtended strand (participates in β ladder)trans-72.6147163.3-71.587.4000111.2M13 M17 K43 F46 D47 G51 N72 L85 F86 K87M13-W54 HydrophobicContact CE-CH2 4.35Å; M13-W54 HydrophobicContact CE-CZ3 4.4Å; M17-W54 HydrophobicContact CE-CH2 3.17Å; M17-W54 HydrophobicContact CE-CZ2 3.2Å; M17-W54 HydrophobicContact CE-CZ3 4.24Å; K43-W54 WeakPolarHBondContact CD-O 3.49Å; K43-W54 WeakPolarHBondContact CE-O 3.32Å; K43-W54 HydrophobicContact CG-CB 4.39Å; K43-W54 WeakPolarHBondContact CG-O 3.28Å; F46-W54 HydrophobicContact CB-CB 4.1Å; F46-W54 HydrophobicContact CB-CD2 3.75Å; F46-W54 HydrophobicContact CB-CE3 4.32Å; F46-W54 HydrophobicContact CB-CG 3.59Å; F46-W54 AromaticContact CD1-CD2 3.79Å; F46-W54 HydrophobicContact CD1-CD2 3.79Å; F46-W54 AromaticContact CD1-CE2 3.81Å; F46-W54 AromaticContact CD1-CE3 3.79Å; F46-W54 HydrophobicContact CD1-CE3 3.79Å; F46-W54 AromaticContact CD1-CH2 3.9Å; F46-W54 HydrophobicContact CD1-CH2 3.9Å; F46-W54 AromaticContact CD1-CZ2 3.89Å; F46-W54 HydrophobicContact CD1-CZ2 3.89Å; F46-W54 AromaticContact CD1-CZ3 3.83Å; F46-W54 HydrophobicContact CD1-CZ3 3.83Å; F46-W54 HydrophobicContact CE1-CH2 4.26Å; F46-W54 HydrophobicContact CE1-CZ3 4.24Å; F46-W54 HydrophobicContact CG-CD2 4.19Å; F46-W54 HydrophobicContact CG-CE3 4.36Å; D47-W54 WeakPolarHBondContact OD1-CB 3.44Å; D47-W54 PolarHBondContact OD1-N 3.47Å; G51-W54 PolarHBondContact O-NE1 2.82Å; W54-N72 HydrophobicContact CH2-CB 3.63Å; W54-N72 HydrophobicContact CZ2-CB 4.1Å; W54-N72 WeakPolarHBondContact CZ2-OD1 3.41Å; W54-N72 HydrophobicContact CZ3-CB 4.37Å; W54-L85 HydrophobicContact CE3-CD1 4.01Å; W54-L85 HydrophobicContact CE3-CD2 4.45Å; W54-L85 HydrophobicContact CE3-CG 3.81Å; W54-L85 HydrophobicContact CZ3-CG 4.1Å; W54-F86 CarbonylContact C-O 3.56Å; W54-F86 WeakPolarHBondContact CA-O 3.31Å; W54-K87 HydrophobicContact CD2-CB 3.99Å; W54-K87 HydrophobicContact CD2-CG 4.25Å; W54-K87 HydrophobicContact CE3-CB 4.14Å; W54-K87 HydrophobicContact CG-CG 4.44Å; W54-K87 HydrophobicContact CH2-CB 4.05Å; W54-K87 HydrophobicContact CZ2-CB 3.9Å; W54-K87 HydrophobicContact CZ2-CD 4.05Å; W54-K87 HydrophobicContact CZ2-CG 4.29Å; W54-K87 HydrophobicContact CZ3-CB 4.19Å
55Q98.2Very high96.6Very high81 Ų8177.7 Ų77.738%0.37939%0.393SS..EExtended strand (participates in β ladder)trans-127.3138174.6-57.1-62.2-26.700107.5L85 F86 T88Q55-L85 WeakPolarHBondContact O-CA 3.4Å; Q55-L85 WeakPolarHBondContact O-CD1 3.29Å; Q55-F86 HydrophobicContact CB-CD1 4.19Å; Q55-F86 HydrophobicContact CB-CD2 4.41Å; Q55-F86 HydrophobicContact CB-CE1 3.73Å; Q55-F86 HydrophobicContact CB-CE2 3.99Å; Q55-F86 HydrophobicContact CB-CZ 3.62Å; Q55-F86 HydrophobicContact CG-CE2 4.19Å; Q55-F86 HydrophobicContact CG-CZ 4.19Å; Q55-F86 PolarHBondContact N-O 3.16Å; Q55-F86 PolarHBondContact O-N 2.95Å; Q55-T88 HydrophobicContact CG-CG2 4.01Å
56C98.5Very high96.4Very high20 Ų2076.9 Ų76.914%0.13539%0.392CS..EExtended strand (participates in β ladder)trans-130131.5178.1-170.70000109.6A39 L42 K43 L84 L85A39-C56 HydrophobicContact CB-CB 4.12Å; A39-C56 WeakPolarHBondContact O-CB 3.46Å; L42-C56 HydrophobicContact CB-CB 4.45Å; K43-C56 HydrophobicContact CB-CB 4.21Å; C56-L84 CarbonylContact C-O 3.53Å; C56-L84 WeakPolarHBondContact CA-O 3.3Å; C56-L85 HydrophobicContact CB-CD1 3.77Å
57V98.4Very high96.2Very high65 Ų6583.3 Ų83.339%0.39443%0.431SS..EExtended strand (participates in β ladder)trans-121.1126.6174.8-176.90000107.3F62 I83 L84 F86V57-F62 HydrophobicContact CG1-CD1 4.5Å; V57-F62 HydrophobicContact CG1-CE1 4.17Å; V57-F62 HydrophobicContact CG1-CZ 4.23Å; V57-I83 WeakPolarHBondContact O-CA 3.48Å; V57-L84 HydrophobicContact CB-CB 4.34Å; V57-L84 PolarHBondContact N-O 2.88Å; V57-L84 PolarHBondContact O-N 3.46Å; V57-F86 HydrophobicContact CG2-CE1 4.48Å
58I98.4Very high96.1Very high20 Ų2084.5 Ų84.510%0.10344%0.436CS..EExtended strand (participates in β ladder)trans-126.7128.4175.3-59.7179.3000108F25 F35 M38 A39 L42 L81 E82 I83F25-I58 HydrophobicContact CD2-CD1 4.13Å; F25-I58 HydrophobicContact CE2-CD1 4.05Å; F25-I58 HydrophobicContact CE2-CG2 4.47Å; F35-I58 HydrophobicContact CB-CB 4.35Å; F35-I58 HydrophobicContact CB-CG2 4.13Å; F35-I58 HydrophobicContact CD1-CG2 4.41Å; F35-I58 HydrophobicContact CG-CG2 4.3Å; M38-I58 HydrophobicContact CB-CD1 3.69Å; A39-I58 HydrophobicContact CB-CB 4.49Å; A39-I58 HydrophobicContact CB-CD1 3.96Å; A39-I58 HydrophobicContact CB-CG1 4.02Å; L42-I58 HydrophobicContact CD1-CD1 4.36Å; I58-L81 HydrophobicContact CG2-CB 4.38Å; I58-L81 HydrophobicContact CG2-CD1 4.12Å; I58-E82 VanDerWaalsContact CA-O 3.31Å; I58-E82 WeakPolarHBondContact CA-O 3.16Å; I58-I83 HydrophobicContact CD1-CG1 4.48Å; I58-I83 HydrophobicContact CG1-CG1 4.13Å; I58-I83 HydrophobicContact CG1-CG2 4.2Å; I58-I83 HydrophobicContact CG2-CG1 4.46Å
59G96.6Very high95.9Very high14 Ų1478.4 Ų78.414%0.14441%0.408CS..EExtended strand (participates in β ladder)trans-169.5-163.3-177.200000112.6L81 E82G59-L81 WeakPolarHBondContact O-CA 3.28Å; G59-E82 PolarHBondContact N-O 2.89Å; G59-E82 PolarHBondContact O-N 3.36Å
60R94.8Very high95.6Very high165 Ų16580.5 Ų80.562%0.62342%0.42SS*.SBendtrans-126.7138.5172.6-63.9-179.4-176.6150.52108.1F62 L81R60-F62 PolarHBondContact O-N 2.92Å; R60-L81 HydrophobicContact CG-CD2 3.83Å
61D92.1Very high95.5Very high148 Ų14882.8 Ų82.879%0.79144%0.437SS*.SBendtrans52.654.4170.2-52.5-51.6000112.6E82D61-E82 VanDerWaalsContact CA-OE1 3.28Å; D61-E82 WeakPolarHBondContact CA-OE1 3.08Å; D61-E82 PolarHBondContact N-OE1 3.21Å; D61-E82 VanDerWaalsContact N-OE1 3.08Å
62F95.5Very high95.6Very high39 Ų3982.9 Ų82.917%0.17143%0.43CS..  trans-110.3149.6175.470.8-104000111.5V57 R60 Y75 E82 L84V57-F62 HydrophobicContact CG1-CD1 4.5Å; V57-F62 HydrophobicContact CG1-CE1 4.17Å; V57-F62 HydrophobicContact CG1-CZ 4.23Å; R60-F62 PolarHBondContact O-N 2.92Å; F62-Y75 HydrophobicContact CE2-CE2 4.14Å; F62-Y75 HydrophobicContact CZ-CD2 4.42Å; F62-Y75 HydrophobicContact CZ-CE2 4.03Å; F62-E82 HydrophobicContact CD1-CB 3.77Å; F62-E82 HydrophobicContact CE1-CB 3.23Å; F62-E82 HydrophobicContact CE1-CG 4.46Å; F62-E82 WeakPolarHBondContact CE1-O 2.98Å; F62-E82 HydrophobicContact CZ-CB 3.78Å; F62-L84 HydrophobicContact CE2-CB 3.86Å; F62-L84 HydrophobicContact CE2-CD2 4.18Å; F62-L84 HydrophobicContact CZ-CB 3.7Å
63E92.8Very high95.7Very high196 Ų19674.2 Ų74.292%0.91640%0.397SS*.  trans-111.8149.7168.2-66.3-173.8-162.800109
64S94Very high95.7Very high60 Ų6071.4 Ų71.442%0.4238%0.383SS..  trans-135.6139.4-177.664.50000111.4L84S64-L84 WeakPolarHBondContact OG-CD2 3.4Å
65S95Very high95.7Very high128 Ų12872.5 Ų72.590%0.89539%0.387SS*.  trans-129.5101.5167.1-173.30000106.7
66I94.2Very high95.7Very high56 Ų5668.7 Ų68.729%0.28737%0.369SS..  trans-131.3139.9-169.155154.2000111.8H68 L73 L84 F86I66-H68 PolarHBondContact O-ND1 3.26Å; I66-L73 HydrophobicContact CD1-CD1 3.62Å; I66-L73 HydrophobicContact CG1-CD1 4.28Å; I66-L84 HydrophobicContact CD1-CD1 4.13Å; I66-L84 HydrophobicContact CD1-CD2 3.92Å; I66-L84 HydrophobicContact CD1-CG 4.33Å; I66-F86 HydrophobicContact CB-CE2 4.27Å; I66-F86 HydrophobicContact CB-CZ 4.46Å; I66-F86 HydrophobicContact CD1-CB 3.91Å; I66-F86 HydrophobicContact CD1-CD1 3.5Å; I66-F86 HydrophobicContact CD1-CD2 3.46Å; I66-F86 VanDerWaalsContact CD1-CD2 3.46Å; I66-F86 HydrophobicContact CD1-CE1 3.77Å; I66-F86 HydrophobicContact CD1-CE2 3.71Å; I66-F86 HydrophobicContact CD1-CG 3.34Å; I66-F86 HydrophobicContact CD1-CZ 3.86Å; I66-F86 HydrophobicContact CG2-CE2 4.43Å; I66-F86 HydrophobicContact CG2-CZ 4.15Å
67T94.6Very high95.6Very high135 Ų13571.3 Ų71.383%0.82838%0.376SS*.  trans-83.9130.2164.7-52.80000108.9
68H94.5Very high95.4Very high57 Ų5768.3 Ų68.326%0.26436%0.359SS..  trans-140.6160.2-179.857.5-79.6000109.3I66 L73 F86 K87I66-H68 PolarHBondContact O-ND1 3.26Å; H68-L73 HydrophobicContact CB-CD1 4.33Å; H68-L73 WeakPolarHBondContact ND1-CD1 3.12Å; H68-F86 HydrophobicContact CB-CB 4.12Å; H68-F86 HydrophobicContact CB-CD2 4.13Å; H68-K87 CarbonylContact C-O 3.55Å; H68-K87 VanDerWaalsContact CA-O 3.31Å; H68-K87 WeakPolarHBondContact CA-O 3.31Å
69L94.4Very high95.1Very high29 Ų2970.2 Ų70.215%0.15237%0.366CS..  trans-72.2144.7172.3-67.6-177.3000110.6N71 N72 K87 A89 Y90L69-N71 PolarHBondContact O-N 3.42Å; L69-N72 HydrophobicContact CB-CB 4.43Å; L69-N72 PolarHBondContact O-N 2.94Å; L69-K87 HydrophobicContact CD1-CD 4.23Å; L69-K87 HydrophobicContact CD1-CG 4.38Å; L69-K87 PolarHBondContact N-O 2.9Å; L69-A89 WeakPolarHBondContact CD1-O 3.42Å; L69-Y90 HydrophobicContact CD1-CD1 3.91Å; L69-Y90 HydrophobicContact CD1-CD2 4.39Å; L69-Y90 HydrophobicContact CD1-CE1 3.97Å; L69-Y90 HydrophobicContact CD1-CE2 4.45Å; L69-Y90 HydrophobicContact CD1-CG 4.13Å; L69-Y90 HydrophobicContact CD2-CE2 4.13Å
70D92.3Very high94.9Very high135 Ų13572.7 Ų72.772%0.72238%0.382SS*.THydrogen-bonded Turntrans-51.8139.9175.9-67.2-17.2000111.2N72D70-N72 PolarHBondContact O-N 3.16Å; D70-N72 PolarHBondContact O-ND2 2.93Å
71N93.9Very high95Very high114 Ų11465 Ų6561%0.6135%0.352SS*.THydrogen-bonded Turntrans59.423.9178.6-52.2-53.2000115.3Y12 L69Y12-N71 CarbonylContact O-C 3.28Å; Y12-N71 WeakPolarHBondContact O-CA 3.37Å; L69-N71 PolarHBondContact O-N 3.42Å
72N97.4Very high95.2Very high34 Ų3458.1 Ų58.118%0.18232%0.316CS..  trans-133.248.2178.5-67.1-84000112.8Y12 W54 L69 D70 F86 K87Y12-N72 PolarHBondContact O-N 2.91Å; Y12-N72 VanDerWaalsContact O-N 3.11Å; W54-N72 HydrophobicContact CH2-CB 3.63Å; W54-N72 HydrophobicContact CZ2-CB 4.1Å; W54-N72 WeakPolarHBondContact CZ2-OD1 3.41Å; W54-N72 HydrophobicContact CZ3-CB 4.37Å; L69-N72 HydrophobicContact CB-CB 4.43Å; L69-N72 PolarHBondContact O-N 2.94Å; D70-N72 PolarHBondContact O-N 3.16Å; D70-N72 PolarHBondContact O-ND2 2.93Å; N72-F86 CarbonylContact O-C 3.56Å; N72-F86 WeakPolarHBondContact O-CA 3.42Å; N72-K87 HydrophobicContact CB-CB 3.5Å; N72-K87 VanDerWaalsContact CB-CB 3.5Å; N72-K87 PolarHBondContact O-N 2.6Å
73L98.1Very high95.3Very high4 Ų456.2 Ų56.22%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-140.9138.1175.9178.4150.8000112.2M10 Y12 M13 I66 H68 L84 L85 F86M10-L73 HydrophobicContact CG-CD2 3.74Å; M10-L73 HydrophobicContact SD-CD2 3.69Å; Y12-L73 CarbonylContact C-O 3.58Å; Y12-L73 HydrophobicContact CD2-CB 4.2Å; Y12-L73 HydrophobicContact CD2-CD2 3.79Å; Y12-L73 HydrophobicContact CE2-CD2 4.17Å; Y12-L73 PolarHBondContact N-O 3.49Å; Y12-L73 PolarHBondContact O-N 3.24Å; M13-L73 VanDerWaalsContact CE-C 3.49Å; I66-L73 HydrophobicContact CD1-CD1 3.62Å; I66-L73 HydrophobicContact CG1-CD1 4.28Å; H68-L73 HydrophobicContact CB-CD1 4.33Å; H68-L73 WeakPolarHBondContact ND1-CD1 3.12Å; L73-L84 HydrophobicContact CD1-CD1 4.27Å; L73-L84 HydrophobicContact CG-CD1 4.32Å; L73-L85 WeakPolarHBondContact CA-O 3.5Å; L73-F86 HydrophobicContact CB-CB 4.22Å; L73-F86 HydrophobicContact CD1-CB 4.18Å; L73-F86 HydrophobicContact CG-CB 4.2Å
74I98.5Very high95.6Very high0 Ų047.1 Ų47.10%027%0.265CS..EExtended strand (participates in β ladder)trans-139.8138.8167-171.2-175.6000109.8I8 M10 A11 M13 E18 A21 F76 L85I8-I74 HydrophobicContact CD1-CD1 4.05Å; M10-I74 WeakPolarHBondContact O-CA 3.32Å; A11-I74 HydrophobicContact CB-CG1 4.04Å; M13-I74 HydrophobicContact CE-CB 3.6Å; M13-I74 HydrophobicContact CE-CG2 3.6Å; M13-I74 HydrophobicContact SD-CB 3.8Å; M13-I74 HydrophobicContact SD-CD1 4.31Å; M13-I74 HydrophobicContact SD-CG2 3.98Å; E18-I74 HydrophobicContact CB-CD1 4.29Å; E18-I74 HydrophobicContact CG-CD1 3.6Å; A21-I74 HydrophobicContact CB-CD1 3.89Å; A21-I74 HydrophobicContact CB-CG2 4.12Å; I74-F76 HydrophobicContact CD1-CD1 3.78Å; I74-F76 HydrophobicContact CD1-CE1 4.17Å; I74-F76 HydrophobicContact CG1-CD1 3.96Å; I74-L85 HydrophobicContact CG2-CB 3.8Å; I74-L85 HydrophobicContact CG2-CD2 4.16Å; I74-L85 HydrophobicContact CG2-CG 4.43Å; I74-L85 PolarHBondContact N-O 3.23Å; I74-L85 PolarHBondContact O-N 2.84Å
75Y98.1Very high95.8Very high23 Ų2344.2 Ų44.29%0.0925%0.245CC..EExtended strand (participates in β ladder)trans-133.1124.4172171.5-135.6000109.8I9 M10 F62 Y77 E82 I83 L84I9-Y75 HydrophobicContact CB-CD1 3.47Å; I9-Y75 VanDerWaalsContact CB-CD1 3.47Å; I9-Y75 HydrophobicContact CB-CE1 3.73Å; I9-Y75 HydrophobicContact CB-CG 4.19Å; I9-Y75 HydrophobicContact CG1-CD1 4Å; I9-Y75 HydrophobicContact CG1-CE1 3.82Å; I9-Y75 HydrophobicContact CG2-CD1 3.53Å; I9-Y75 HydrophobicContact CG2-CE1 3.57Å; I9-Y75 PolarHBondContact N-O 2.99Å; M10-Y75 HydrophobicContact CE-CD1 4.27Å; M10-Y75 HydrophobicContact CG-CD1 4.21Å; M10-Y75 HydrophobicContact CG-CG 4.48Å; M10-Y75 PolarHBondContact N-O 2.78Å; M10-Y75 VanDerWaalsContact N-O 3.15Å; M10-Y75 PolarHBondContact O-N 3.48Å; F62-Y75 HydrophobicContact CE2-CE2 4.14Å; F62-Y75 HydrophobicContact CZ-CD2 4.42Å; F62-Y75 HydrophobicContact CZ-CE2 4.03Å; Y75-Y77 PolarHBondContact OH-OH 3.27Å; Y75-Y77 VanDerWaalsContact OH-OH 3.1Å; Y75-E82 HydrophobicContact CE2-CB 4.05Å; Y75-E82 HydrophobicContact CE2-CG 4.19Å; Y75-E82 WeakPolarHBondContact CE2-OE2 3.38Å; Y75-E82 VanDerWaalsContact OH-CD 3.29Å; Y75-E82 PolarHBondContact OH-OE2 3.44Å; Y75-I83 VanDerWaalsContact CA-O 3.3Å; Y75-I83 WeakPolarHBondContact CA-O 3.41Å; Y75-I83 WeakPolarHBondContact CD2-O 3.44Å; Y75-L84 HydrophobicContact CD2-CB 4.28Å; Y75-L84 HydrophobicContact CG-CD1 4.48Å
76F97.5Very high96Very high0 Ų039 Ų390%021%0.206CC..EExtended strand (participates in β ladder)trans-148.2155.9-17766.9-85.4000113.1T6 K7 I8 A21 F25 I74 I83T6-F76 HydrophobicContact CG2-CD2 3.88Å; T6-F76 HydrophobicContact CG2-CE2 4.5Å; K7-F76 CarbonylContact O-C 3.55Å; K7-F76 VanDerWaalsContact O-CA 3.29Å; K7-F76 WeakPolarHBondContact O-CA 3.34Å; K7-F76 WeakPolarHBondContact O-CB 3.36Å; I8-F76 HydrophobicContact CD1-CB 3.5Å; I8-F76 HydrophobicContact CD1-CG 4.13Å; A21-F76 HydrophobicContact CB-CE1 4.31Å; F25-F76 HydrophobicContact CB-CE2 4.26Å; F25-F76 HydrophobicContact CB-CZ 3.89Å; F25-F76 AromaticContact CD1-CE2 3.97Å; F25-F76 HydrophobicContact CD1-CE2 3.97Å; F25-F76 HydrophobicContact CD1-CZ 4.41Å; F25-F76 HydrophobicContact CG-CE2 4.14Å; F25-F76 HydrophobicContact CG-CZ 4.12Å; I74-F76 HydrophobicContact CD1-CD1 3.78Å; I74-F76 HydrophobicContact CD1-CE1 4.17Å; I74-F76 HydrophobicContact CG1-CD1 3.96Å; F76-I83 HydrophobicContact CD1-CB 4.07Å; F76-I83 HydrophobicContact CD1-CG2 4.3Å; F76-I83 HydrophobicContact CD2-CB 4.31Å; F76-I83 HydrophobicContact CD2-CD1 3.98Å; F76-I83 HydrophobicContact CE1-CB 3.69Å; F76-I83 HydrophobicContact CE1-CG2 3.54Å; F76-I83 HydrophobicContact CE2-CB 3.96Å; F76-I83 HydrophobicContact CE2-CD1 3.67Å; F76-I83 HydrophobicContact CE2-CG1 4.01Å; F76-I83 HydrophobicContact CE2-CG2 4.43Å; F76-I83 HydrophobicContact CG-CB 4.38Å; F76-I83 HydrophobicContact CZ-CB 3.63Å; F76-I83 HydrophobicContact CZ-CD1 4.19Å; F76-I83 HydrophobicContact CZ-CG1 4Å; F76-I83 HydrophobicContact CZ-CG2 3.62Å; F76-I83 PolarHBondContact N-O 2.98Å; F76-I83 PolarHBondContact O-N 3.42Å
77Y96.3Very high96.2Very high75 Ų7537.1 Ų37.129%0.29420%0.196SC..EExtended strand (participates in β ladder)trans-97.2137.9169.1-73.4-95.6000110.2T6 K7 I9 Y75 L81 E82T6-Y77 CarbonylContact C-O 2.77Å; T6-Y77 VanDerWaalsContact CA-O 3.27Å; T6-Y77 WeakPolarHBondContact CA-O 3.44Å; K7-Y77 PolarHBondContact N-O 3.46Å; K7-Y77 PolarHBondContact O-N 3.19Å; I9-Y77 HydrophobicContact CD1-CD2 3.53Å; I9-Y77 HydrophobicContact CD1-CE2 3.59Å; I9-Y77 HydrophobicContact CG1-CD2 3.45Å; I9-Y77 VanDerWaalsContact CG1-CD2 3.45Å; I9-Y77 HydrophobicContact CG1-CE2 3.51Å; Y75-Y77 PolarHBondContact OH-OH 3.27Å; Y75-Y77 VanDerWaalsContact OH-OH 3.1Å; Y77-L81 CarbonylContact C-O 3.57Å; Y77-L81 VanDerWaalsContact CA-O 3.28Å; Y77-L81 WeakPolarHBondContact CA-O 3.48Å; Y77-E82 HydrophobicContact CD1-CG 3.42Å; Y77-E82 VanDerWaalsContact CD1-CG 3.42Å; Y77-E82 HydrophobicContact CE1-CB 4.46Å; Y77-E82 HydrophobicContact CE1-CG 3.01Å; Y77-E82 WeakPolarHBondContact CE1-OE1 3.4Å; Y77-E82 HydrophobicContact CE2-CG 4.22Å; Y77-E82 HydrophobicContact CG-CG 4.18Å; Y77-E82 VanDerWaalsContact CZ-CG 3.44Å; Y77-E82 VanDerWaalsContact CZ-OE1 3.29Å; Y77-E82 PolarHBondContact OH-OE1 2.68Å; Y77-E82 PolarHBondContact OH-OE2 2.81Å
78S95.3Very high96.2Very high3 Ų333.6 Ų33.62%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-159.9141.1170-169.90000109.9T6 S80 L81T6-S78 PolarHBondContact OG1-OG 3.1Å; S78-S80 VanDerWaalsContact C-N 3.28Å; S78-S80 PolarHBondContact O-N 2.88Å; S78-L81 PolarHBondContact N-O 2.59Å; S78-L81 WeakPolarHBondContact O-CA 3.46Å; S78-L81 WeakPolarHBondContact O-CB 3.46Å; S78-L81 PolarHBondContact O-N 3.3Å
79K92Very high95.9Very high59 Ų5932.9 Ų32.926%0.25718%0.178SC..THydrogen-bonded Turntrans54.240.2177.9-54.3-67.3179.8174.10114.1D3 D4 F25 Y29 L81D3-K79 WeakPolarHBondContact O-CA 3.36Å; D3-K79 PolarHBondContact O-N 3.24Å; D4-K79 IonicContact OD1-NZ 2.72Å; D4-K79 PolarHBondContact OD1-NZ 3.18Å; F25-K79 HydrophobicContact CE1-CG 4.32Å; Y29-K79 HydrophobicContact CD1-CD 4.42Å; Y29-K79 HydrophobicContact CD1-CG 4.07Å; Y29-K79 HydrophobicContact CD2-CB 3.99Å; Y29-K79 HydrophobicContact CD2-CG 4.15Å; Y29-K79 HydrophobicContact CE1-CB 4.23Å; Y29-K79 HydrophobicContact CE1-CD 4.11Å; Y29-K79 HydrophobicContact CE1-CG 4.01Å; Y29-K79 HydrophobicContact CE2-CB 3.57Å; Y29-K79 HydrophobicContact CE2-CG 4.08Å; Y29-K79 HydrophobicContact CG-CB 4.48Å; Y29-K79 HydrophobicContact CG-CG 4.15Å; K79-L81 PolarHBondContact O-N 3.12Å; K79-L81 VanDerWaalsContact O-N 3.16Å
80S92.3Very high95.5Very high67 Ų6742 Ų4247%0.46921%0.212SC..THydrogen-bonded Turntrans56.428.7-175.9-69.10000113.6D3 S78D3-S80 PolarHBondContact OD1-OG 3.1Å; S78-S80 VanDerWaalsContact C-N 3.28Å; S78-S80 PolarHBondContact O-N 2.88Å
81L95.7Very high95.6Very high2 Ų237.3 Ų37.31%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-125.1154.4172.9-62.5172.4000109.9F25 Y29 F35 I58 G59 R60 Y77 S78 K79 I83F25-L81 HydrophobicContact CE2-CD1 4.49Å; F25-L81 HydrophobicContact CZ-CB 4.4Å; F25-L81 HydrophobicContact CZ-CD1 4.06Å; Y29-L81 HydrophobicContact CD2-CD1 4.07Å; Y29-L81 HydrophobicContact CE2-CD1 3.93Å; F35-L81 HydrophobicContact CD1-CD1 3.98Å; F35-L81 HydrophobicContact CD1-CD2 4.3Å; F35-L81 HydrophobicContact CE1-CD1 3.65Å; F35-L81 HydrophobicContact CE1-CD2 3.65Å; F35-L81 HydrophobicContact CE1-CG 4.29Å; F35-L81 HydrophobicContact CE2-CD2 3.99Å; F35-L81 HydrophobicContact CZ-CD1 4.35Å; F35-L81 HydrophobicContact CZ-CD2 3.47Å; F35-L81 VanDerWaalsContact CZ-CD2 3.47Å; I58-L81 HydrophobicContact CG2-CB 4.38Å; I58-L81 HydrophobicContact CG2-CD1 4.12Å; G59-L81 WeakPolarHBondContact O-CA 3.28Å; R60-L81 HydrophobicContact CG-CD2 3.83Å; Y77-L81 CarbonylContact C-O 3.57Å; Y77-L81 VanDerWaalsContact CA-O 3.28Å; Y77-L81 WeakPolarHBondContact CA-O 3.48Å; S78-L81 PolarHBondContact N-O 2.59Å; S78-L81 WeakPolarHBondContact O-CA 3.46Å; S78-L81 WeakPolarHBondContact O-CB 3.46Å; S78-L81 PolarHBondContact O-N 3.3Å; K79-L81 PolarHBondContact O-N 3.12Å; K79-L81 VanDerWaalsContact O-N 3.16Å; L81-I83 HydrophobicContact CB-CD1 4.2Å
82E97Very high95.7Very high4 Ų433.3 Ų33.32%0.01916%0.164CC..EExtended strand (participates in β ladder)trans-104.8134.5171.5-75.7-176-138.400109.2I58 G59 D61 F62 Y75 Y77I58-E82 VanDerWaalsContact CA-O 3.31Å; I58-E82 WeakPolarHBondContact CA-O 3.16Å; G59-E82 PolarHBondContact N-O 2.89Å; G59-E82 PolarHBondContact O-N 3.36Å; D61-E82 VanDerWaalsContact CA-OE1 3.28Å; D61-E82 WeakPolarHBondContact CA-OE1 3.08Å; D61-E82 PolarHBondContact N-OE1 3.21Å; D61-E82 VanDerWaalsContact N-OE1 3.08Å; F62-E82 HydrophobicContact CD1-CB 3.77Å; F62-E82 HydrophobicContact CE1-CB 3.23Å; F62-E82 HydrophobicContact CE1-CG 4.46Å; F62-E82 WeakPolarHBondContact CE1-O 2.98Å; F62-E82 HydrophobicContact CZ-CB 3.78Å; Y75-E82 HydrophobicContact CE2-CB 4.05Å; Y75-E82 HydrophobicContact CE2-CG 4.19Å; Y75-E82 WeakPolarHBondContact CE2-OE2 3.38Å; Y75-E82 VanDerWaalsContact OH-CD 3.29Å; Y75-E82 PolarHBondContact OH-OE2 3.44Å; Y77-E82 HydrophobicContact CD1-CG 3.42Å; Y77-E82 VanDerWaalsContact CD1-CG 3.42Å; Y77-E82 HydrophobicContact CE1-CB 4.46Å; Y77-E82 HydrophobicContact CE1-CG 3.01Å; Y77-E82 WeakPolarHBondContact CE1-OE1 3.4Å; Y77-E82 HydrophobicContact CE2-CG 4.22Å; Y77-E82 HydrophobicContact CG-CG 4.18Å; Y77-E82 VanDerWaalsContact CZ-CG 3.44Å; Y77-E82 VanDerWaalsContact CZ-OE1 3.29Å; Y77-E82 PolarHBondContact OH-OE1 2.68Å; Y77-E82 PolarHBondContact OH-OE2 2.81Å
83I98.3Very high95.6Very high0 Ų033.2 Ų33.20%016%0.163CC..EExtended strand (participates in β ladder)trans-129115.1-176.7-57.288.6000107.8F25 L42 V57 I58 Y75 F76 L81F25-I83 HydrophobicContact CD1-CD1 4.18Å; F25-I83 HydrophobicContact CD2-CD1 4.17Å; F25-I83 HydrophobicContact CD2-CG1 3.69Å; F25-I83 HydrophobicContact CE1-CD1 3.8Å; F25-I83 HydrophobicContact CE1-CG1 4.4Å; F25-I83 HydrophobicContact CE2-CD1 3.77Å; F25-I83 HydrophobicContact CE2-CG1 3.55Å; F25-I83 HydrophobicContact CG-CD1 4.35Å; F25-I83 HydrophobicContact CG-CG1 4.18Å; F25-I83 HydrophobicContact CZ-CD1 3.57Å; F25-I83 HydrophobicContact CZ-CG1 3.93Å; L42-I83 HydrophobicContact CD2-CG2 3.98Å; V57-I83 WeakPolarHBondContact O-CA 3.48Å; I58-I83 HydrophobicContact CD1-CG1 4.48Å; I58-I83 HydrophobicContact CG1-CG1 4.13Å; I58-I83 HydrophobicContact CG1-CG2 4.2Å; I58-I83 HydrophobicContact CG2-CG1 4.46Å; Y75-I83 VanDerWaalsContact CA-O 3.3Å; Y75-I83 WeakPolarHBondContact CA-O 3.41Å; Y75-I83 WeakPolarHBondContact CD2-O 3.44Å; F76-I83 HydrophobicContact CD1-CB 4.07Å; F76-I83 HydrophobicContact CD1-CG2 4.3Å; F76-I83 HydrophobicContact CD2-CB 4.31Å; F76-I83 HydrophobicContact CD2-CD1 3.98Å; F76-I83 HydrophobicContact CE1-CB 3.69Å; F76-I83 HydrophobicContact CE1-CG2 3.54Å; F76-I83 HydrophobicContact CE2-CB 3.96Å; F76-I83 HydrophobicContact CE2-CD1 3.67Å; F76-I83 HydrophobicContact CE2-CG1 4.01Å; F76-I83 HydrophobicContact CE2-CG2 4.43Å; F76-I83 HydrophobicContact CG-CB 4.38Å; F76-I83 HydrophobicContact CZ-CB 3.63Å; F76-I83 HydrophobicContact CZ-CD1 4.19Å; F76-I83 HydrophobicContact CZ-CG1 4Å; F76-I83 HydrophobicContact CZ-CG2 3.62Å; F76-I83 PolarHBondContact N-O 2.98Å; F76-I83 PolarHBondContact O-N 3.42Å; L81-I83 HydrophobicContact CB-CD1 4.2Å
84L98.5Very high95.5Very high4 Ų434.9 Ų34.92%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-112.9122.5172.6174.367.5000108.6C56 V57 F62 S64 I66 L73 Y75 F86C56-L84 CarbonylContact C-O 3.53Å; C56-L84 WeakPolarHBondContact CA-O 3.3Å; V57-L84 HydrophobicContact CB-CB 4.34Å; V57-L84 PolarHBondContact N-O 2.88Å; V57-L84 PolarHBondContact O-N 3.46Å; F62-L84 HydrophobicContact CE2-CB 3.86Å; F62-L84 HydrophobicContact CE2-CD2 4.18Å; F62-L84 HydrophobicContact CZ-CB 3.7Å; S64-L84 WeakPolarHBondContact OG-CD2 3.4Å; I66-L84 HydrophobicContact CD1-CD1 4.13Å; I66-L84 HydrophobicContact CD1-CD2 3.92Å; I66-L84 HydrophobicContact CD1-CG 4.33Å; L73-L84 HydrophobicContact CD1-CD1 4.27Å; L73-L84 HydrophobicContact CG-CD1 4.32Å; Y75-L84 HydrophobicContact CD2-CB 4.28Å; Y75-L84 HydrophobicContact CG-CD1 4.48Å; L84-F86 HydrophobicContact CD1-CD1 4.38Å; L84-F86 HydrophobicContact CD2-CD1 4.19Å; L84-F86 HydrophobicContact CD2-CE1 4.04Å; L84-F86 HydrophobicContact CG-CD1 3.83Å; L84-F86 HydrophobicContact CG-CE1 4.12Å
85L98.6Very high95.3Very high0 Ų037.1 Ų37.10%018%0.182CC..EExtended strand (participates in β ladder)trans-131.4124.1-179.6176.974.9000108.9A21 L42 F46 W54 Q55 C56 L73 I74A21-L85 HydrophobicContact CB-CD2 4.32Å; L42-L85 HydrophobicContact CD2-CD2 4.47Å; F46-L85 HydrophobicContact CD1-CD2 3.69Å; F46-L85 HydrophobicContact CD1-CG 4.43Å; F46-L85 HydrophobicContact CD2-CD2 3.54Å; F46-L85 HydrophobicContact CE1-CD2 3.54Å; F46-L85 HydrophobicContact CE2-CD2 3.38Å; F46-L85 HydrophobicContact CG-CD1 4.45Å; F46-L85 HydrophobicContact CG-CD2 3.71Å; F46-L85 HydrophobicContact CG-CG 4.49Å; F46-L85 HydrophobicContact CZ-CD2 3.41Å; F46-L85 VanDerWaalsContact CZ-CD2 3.41Å; W54-L85 HydrophobicContact CE3-CD1 4.01Å; W54-L85 HydrophobicContact CE3-CD2 4.45Å; W54-L85 HydrophobicContact CE3-CG 3.81Å; W54-L85 HydrophobicContact CZ3-CG 4.1Å; Q55-L85 WeakPolarHBondContact O-CA 3.4Å; Q55-L85 WeakPolarHBondContact O-CD1 3.29Å; C56-L85 HydrophobicContact CB-CD1 3.77Å; L73-L85 WeakPolarHBondContact CA-O 3.5Å; I74-L85 HydrophobicContact CG2-CB 3.8Å; I74-L85 HydrophobicContact CG2-CD2 4.16Å; I74-L85 HydrophobicContact CG2-CG 4.43Å; I74-L85 PolarHBondContact N-O 3.23Å; I74-L85 PolarHBondContact O-N 2.84Å
86F98.3Very high95.1Very high18 Ų1838.1 Ų38.18%0.07919%0.188CC..EExtended strand (participates in β ladder)trans-152.8155.5-17363.1-76.5000112.5W54 Q55 V57 I66 H68 N72 L73 L84 T88W54-F86 CarbonylContact C-O 3.56Å; W54-F86 WeakPolarHBondContact CA-O 3.31Å; Q55-F86 HydrophobicContact CB-CD1 4.19Å; Q55-F86 HydrophobicContact CB-CD2 4.41Å; Q55-F86 HydrophobicContact CB-CE1 3.73Å; Q55-F86 HydrophobicContact CB-CE2 3.99Å; Q55-F86 HydrophobicContact CB-CZ 3.62Å; Q55-F86 HydrophobicContact CG-CE2 4.19Å; Q55-F86 HydrophobicContact CG-CZ 4.19Å; Q55-F86 PolarHBondContact N-O 3.16Å; Q55-F86 PolarHBondContact O-N 2.95Å; V57-F86 HydrophobicContact CG2-CE1 4.48Å; I66-F86 HydrophobicContact CB-CE2 4.27Å; I66-F86 HydrophobicContact CB-CZ 4.46Å; I66-F86 HydrophobicContact CD1-CB 3.91Å; I66-F86 HydrophobicContact CD1-CD1 3.5Å; I66-F86 HydrophobicContact CD1-CD2 3.46Å; I66-F86 VanDerWaalsContact CD1-CD2 3.46Å; I66-F86 HydrophobicContact CD1-CE1 3.77Å; I66-F86 HydrophobicContact CD1-CE2 3.71Å; I66-F86 HydrophobicContact CD1-CG 3.34Å; I66-F86 HydrophobicContact CD1-CZ 3.86Å; I66-F86 HydrophobicContact CG2-CE2 4.43Å; I66-F86 HydrophobicContact CG2-CZ 4.15Å; H68-F86 HydrophobicContact CB-CB 4.12Å; H68-F86 HydrophobicContact CB-CD2 4.13Å; N72-F86 CarbonylContact O-C 3.56Å; N72-F86 WeakPolarHBondContact O-CA 3.42Å; L73-F86 HydrophobicContact CB-CB 4.22Å; L73-F86 HydrophobicContact CD1-CB 4.18Å; L73-F86 HydrophobicContact CG-CB 4.2Å; L84-F86 HydrophobicContact CD1-CD1 4.38Å; L84-F86 HydrophobicContact CD2-CD1 4.19Å; L84-F86 HydrophobicContact CD2-CE1 4.04Å; L84-F86 HydrophobicContact CG-CD1 3.83Å; L84-F86 HydrophobicContact CG-CE1 4.12Å; F86-T88 HydrophobicContact CD2-CG2 3.61Å; F86-T88 HydrophobicContact CE2-CG2 3.36Å
87K98Very high95Very high16 Ų1640.8 Ų40.87%0.0720%0.201CC..EExtended strand (participates in β ladder)trans-104.6136.5175.7-156.6-177.1-171.8-166.60110.5Y50 R52 W54 H68 L69 N72 A89 Y90Y50-K87 PolarHBondContact O-NZ 3.09Å; R52-K87 WeakPolarHBondContact O-CE 3.27Å; W54-K87 HydrophobicContact CD2-CB 3.99Å; W54-K87 HydrophobicContact CD2-CG 4.25Å; W54-K87 HydrophobicContact CE3-CB 4.14Å; W54-K87 HydrophobicContact CG-CG 4.44Å; W54-K87 HydrophobicContact CH2-CB 4.05Å; W54-K87 HydrophobicContact CZ2-CB 3.9Å; W54-K87 HydrophobicContact CZ2-CD 4.05Å; W54-K87 HydrophobicContact CZ2-CG 4.29Å; W54-K87 HydrophobicContact CZ3-CB 4.19Å; H68-K87 CarbonylContact C-O 3.55Å; H68-K87 VanDerWaalsContact CA-O 3.31Å; H68-K87 WeakPolarHBondContact CA-O 3.31Å; L69-K87 HydrophobicContact CD1-CD 4.23Å; L69-K87 HydrophobicContact CD1-CG 4.38Å; L69-K87 PolarHBondContact N-O 2.9Å; N72-K87 HydrophobicContact CB-CB 3.5Å; N72-K87 VanDerWaalsContact CB-CB 3.5Å; N72-K87 PolarHBondContact O-N 2.6Å; K87-A89 WeakPolarHBondContact CE-O 3.38Å; K87-A89 WeakPolarHBondContact CG-O 3.38Å; K87-Y90 PolarHBondContact NZ-OXT 3.48Å
88T94.5Very high94.9Very high62 Ų6238.2 Ų38.238%0.3819%0.194SC..  trans-110.8-21.1-174.351.30000114.4N53 Q55 F86N53-T88 PolarHBondContact O-N 2.99Å; N53-T88 PolarHBondContact O-OG1 2.77Å; Q55-T88 HydrophobicContact CG-CG2 4.01Å; F86-T88 HydrophobicContact CD2-CG2 3.61Å; F86-T88 HydrophobicContact CE2-CG2 3.36Å
89A89.4Confident94.8Very high41 Ų4141.1 Ų41.134%0.33921%0.209SC..  trans-150.2162.518000000109.5N53 L69 K87N53-A89 HydrophobicContact CB-CB 4.08Å; L69-A89 WeakPolarHBondContact CD1-O 3.42Å; K87-A89 WeakPolarHBondContact CE-O 3.38Å; K87-A89 WeakPolarHBondContact CG-O 3.38Å
90Y85.3Confident95.1Very high220 Ų22039.5 Ų39.586%0.86320%0.204SC*.  trans-65.80-179.3-68.2-74.6000112.4N53 L69 K87N53-Y90 PolarHBondContact ND2-O 3.21Å; L69-Y90 HydrophobicContact CD1-CD1 3.91Å; L69-Y90 HydrophobicContact CD1-CD2 4.39Å; L69-Y90 HydrophobicContact CD1-CE1 3.97Å; L69-Y90 HydrophobicContact CD1-CE2 4.45Å; L69-Y90 HydrophobicContact CD1-CG 4.13Å; L69-Y90 HydrophobicContact CD2-CE2 4.13Å; K87-Y90 PolarHBondContact NZ-OXT 3.48Å

Retrieved 90 of 90 residues in 158.4 ms (Link to these results)

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