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Polyribonucleotide 5'-hydroxyl-kinase Clp1

Polynucleotide kinase that can phosphorylate the 5'-hydroxyl groups of double-stranded RNA (dsRNA), single-stranded RNA (ssRNA), double stranded DNA (dsDNA) and double-stranded DNA:RNA hybrids. dsRNA is phosphorylated more efficiently than dsDNA, and the RNA component of a DNA:RNA hybrid is phosphorylated more efficiently than the DNA component. Appears to have roles in both tRNA splicing and mRNA 3'-end formation. Component of the tRNA splicing endonuclease complex. Phosphorylates the 5'-terminus of the tRNA 3'-exon during tRNA splicing; this phosphorylation event is a prerequisite for the subsequent ligation of the two exon halves and the production of a mature tRNA. Component of the pre-mRNA cleavage complex II (CF-II), which seems to be required for mRNA 3'-end formation. Also phosphorylates the 5'-terminus of exogenously introduced short interfering RNAs (siRNAs), which is a necessary prerequisite for their incorporation into the RNA-induced silencing complex (RISC). However, endogenous siRNAs and microRNAs (miRNAs) that are produced by the cleavage of dsRNA precursors by DICER1 already contain a 5'-phosphate group, so this protein may be dispensible for normal RNA-mediated gene silencing.

AlphaFold DB , UniProt , Accession A0A2K5P3I8, Species CERAT (Cercocebus atys, Sooty mangabey), Gene CLP1, Length 436 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
1M40.3Very low32.4Very low240 Ų240159.8 Ų159.8100%1.18286%0.857SS**  0870-146.5177.6-165.900107.4
2T34.7Very low32.3Very low141 Ų141160.8 Ų160.887%0.86586%0.856SS**  trans155.1109.1139.844.40000108
3D30.8Very low32.1Very low159 Ų159153.8 Ų153.885%0.8585%0.846SS**  trans-62.1145.8178.9-65.2-63.6000113.4
4L34.2Very low31.9Very low180 Ų180156.6 Ų156.694%0.94285%0.849SS**  trans-132.992.2155.6-93.7157.3000107.5
5S34.3Very low31.9Very low107 Ų107158.7 Ų158.775%0.74885%0.851SS**  trans-75.5115.9170.150.10000110.1S7S5-S7 PolarHBondContact O-N 2.67Å
6S31.3Very low32.1Very low103 Ų103154.8 Ų154.872%0.7285%0.848SS**  trans-81.997.4165.6166.70000109
7S32.6Very low32.1Very low96 Ų96154.5 Ų154.567%0.67185%0.845SS**  trans-83.7111.4168.953.10000109.8S5 T9S5-S7 PolarHBondContact O-N 2.67Å; S7-T9 PolarHBondContact O-N 3.38Å
8Y28.9Very low32.6Very low222 Ų222153.3 Ų153.387%0.87184%0.838SS**PPolyproline II helixtrans-56.3120.4162-76.8-96.7000108.7
9T31Very low33.6Very low130 Ų130152.6 Ų152.680%0.79883%0.833SS**PPolyproline II helixtrans-100.2118.3166.916.50000106.7S7 E11S7-T9 PolarHBondContact O-N 3.38Å; T9-E11 PolarHBondContact O-N 3.11Å
10E28.8Very low35.3Very low184 Ų184154 Ų15486%0.8683%0.831SS**PPolyproline II helixtrans-58.5117.4172-72.2171.5143.600109M12E10-M12 VanDerWaalsContact C-N 3.31Å; E10-M12 PolarHBondContact O-N 3.23Å
11E29.8Very low37.4Very low196 Ų196151.3 Ų151.392%0.91681%0.811SS**  trans-67.294.3162.5-78-177.6159.100107.7T9 G13T9-E11 PolarHBondContact O-N 3.11Å; E11-G13 PolarHBondContact O-N 2.89Å; E11-G13 VanDerWaalsContact O-N 3.12Å
12M30.9Very low39.8Very low172 Ų172143.3 Ų143.385%0.84778%0.777SS**  trans-66.3105.7161.7-67.5-168.610800107.3E10 E14E10-M12 VanDerWaalsContact C-N 3.31Å; E10-M12 PolarHBondContact O-N 3.23Å; M12-E14 PolarHBondContact O-N 3.14Å; M12-E14 VanDerWaalsContact O-N 3.14Å
13G29.4Very low42.7Very low70 Ų70140.5 Ų140.572%0.72276%0.76SS**  trans-58.1115.1166.200000109.2E11 E15E11-G13 PolarHBondContact O-N 2.89Å; E11-G13 VanDerWaalsContact O-N 3.12Å; G13-E15 VanDerWaalsContact C-N 3.26Å; G13-E15 PolarHBondContact O-N 2.96Å
14E29.9Very low45.8Very low192 Ų192136.4 Ų136.490%0.89774%0.741SS**  trans-65.793.9158.6-77.4-177.3154.900107.1M12 A16M12-E14 PolarHBondContact O-N 3.14Å; M12-E14 VanDerWaalsContact O-N 3.14Å; E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 2.89Å
15E31.1Very low48.8Very low188 Ų188133.7 Ų133.788%0.87972%0.721SS**  trans-57.4102156.3-77-174.7156.100107G13 N17G13-E15 VanDerWaalsContact C-N 3.26Å; G13-E15 PolarHBondContact O-N 2.96Å; E15-N17 VanDerWaalsContact C-N 3.3Å; E15-N17 PolarHBondContact O-N 3.04Å
16A35.2Very low51.9Low96 Ų96130.2 Ų130.279%0.79369%0.693SS**  trans-59.699.9167.100000107.4E14 D18E14-A16 VanDerWaalsContact C-N 3.31Å; E14-A16 PolarHBondContact O-N 2.89Å; A16-D18 VanDerWaalsContact C-N 3.29Å; A16-D18 PolarHBondContact O-N 3.12Å
17N33.1Very low55.1Low151 Ų151130.8 Ų130.881%0.80768%0.684SS**  trans-64.192.8174.5-146.79.7000107.1E15 D19E15-N17 VanDerWaalsContact C-N 3.3Å; E15-N17 PolarHBondContact O-N 3.04Å; N17-D19 PolarHBondContact O-N 3.28Å
18D41.3Very low58.2Low132 Ų132126.6 Ų126.671%0.70665%0.654SS**  trans-67.688.4172-167.429000106.7A16 K20A16-D18 VanDerWaalsContact C-N 3.29Å; A16-D18 PolarHBondContact O-N 3.12Å; D18-K20 PolarHBondContact O-N 3.48Å
19D49.9Very low61.5Low140 Ų140121.8 Ų121.875%0.74964%0.639SS**  trans-56.687.3169.7-103.3-22.1000107.5N17 K21N17-D19 PolarHBondContact O-N 3.28Å; D19-K21 PolarHBondContact O-N 2.88Å
20K67.6Low64.7Low181 Ų181123.7 Ų123.779%0.78763%0.632SS**  trans-60.3101.9179.9-80.6-177.5179.8174.10108D18D18-K20 PolarHBondContact O-N 3.48Å
21K81.1Confident67.9Low98 Ų98118.5 Ų118.543%0.42661%0.608SS.*  trans-47.7137.5173.5-70.1-173.8177.6-174.10108.8D19 T23D19-K21 PolarHBondContact O-N 2.88Å; K21-T23 WeakPolarHBondContact O-CG2 3.46Å; K21-T23 PolarHBondContact O-N 3.39Å
22P90.1Very high71.2Confident71 Ų71109.3 Ų109.346%0.46157%0.565SS.*  trans-57.3130179.824.6-33.6000109.1S87 G88 R89P22-S87 WeakPolarHBondContact O-CA 3.33Å; P22-G88 PolarHBondContact O-N 2.86Å; P22-R89 HydrophobicContact CG-CG 4.18Å
23T94.6Very high74.3Confident82 Ų82101.6 Ų101.650%0.50353%0.527SS..EExtended strand (participates in β ladder)trans-114.7133.6179.863.50000110.9K21 L86 S87K21-T23 WeakPolarHBondContact O-CG2 3.46Å; K21-T23 PolarHBondContact O-N 3.39Å; T23-L86 CarbonylContact C-O 3.44Å; T23-L86 VanDerWaalsContact CA-O 3.23Å; T23-L86 WeakPolarHBondContact CA-O 3.48Å; T23-S87 WeakPolarHBondContact CG2-OG 3.36Å
24T96.8Very high77.6Confident74 Ų7498.2 Ų98.245%0.45449%0.493SS..EExtended strand (participates in β ladder)trans-126.8129.9177.2-50.80000109.5F26 Q85 L86T24-F26 HydrophobicContact CG2-CD2 4.3Å; T24-F26 HydrophobicContact CG2-CE1 4.28Å; T24-F26 HydrophobicContact CG2-CE2 3.56Å; T24-F26 HydrophobicContact CG2-CZ 3.55Å; T24-Q85 WeakPolarHBondContact O-CA 3.49Å; T24-L86 PolarHBondContact N-O 2.88Å; T24-L86 PolarHBondContact O-N 2.83Å
25K97.6Very high80.8Confident123 Ų12390 Ų9054%0.53545%0.453SS..EExtended strand (participates in β ladder)trans-99.9135.6178.6-172.2-178.2174.9-157.20109.5E27 L49 S83 V84K25-E27 WeakPolarHBondContact CE-OE1 3.4Å; K25-E27 IonicContact NZ-OE1 3.54Å; K25-E27 PolarHBondContact NZ-OE1 2.94Å; K25-L49 HydrophobicContact CD-CD1 4.2Å; K25-L49 HydrophobicContact CG-CD1 4.24Å; K25-S83 WeakPolarHBondContact CE-OG 3.47Å; K25-V84 WeakPolarHBondContact CA-O 3.21Å
26F98.3Very high83.9Confident34 Ų3481.1 Ų81.115%0.14941%0.412CS..EExtended strand (participates in β ladder)trans-122.8128.2178.1-62.4-92.1000109.8T24 L28 L34 S83 V84 L86 A93 V95T24-F26 HydrophobicContact CG2-CD2 4.3Å; T24-F26 HydrophobicContact CG2-CE1 4.28Å; T24-F26 HydrophobicContact CG2-CE2 3.56Å; T24-F26 HydrophobicContact CG2-CZ 3.55Å; F26-L28 HydrophobicContact CB-CD1 3.79Å; F26-L34 HydrophobicContact CB-CD2 4.18Å; F26-L34 HydrophobicContact CD1-CD1 3.7Å; F26-L34 HydrophobicContact CD2-CD1 4.18Å; F26-L34 HydrophobicContact CD2-CD2 3.77Å; F26-L34 HydrophobicContact CE1-CD1 3.85Å; F26-L34 HydrophobicContact CE2-CD1 4.32Å; F26-L34 HydrophobicContact CE2-CD2 4.3Å; F26-L34 HydrophobicContact CG-CD1 3.87Å; F26-L34 HydrophobicContact CG-CD2 3.94Å; F26-L34 HydrophobicContact CZ-CD1 4.16Å; F26-S83 WeakPolarHBondContact O-CA 3.48Å; F26-V84 HydrophobicContact CB-CG2 3.94Å; F26-V84 PolarHBondContact N-O 2.79Å; F26-V84 PolarHBondContact O-N 3.41Å; F26-L86 HydrophobicContact CD2-CD1 4.44Å; F26-L86 HydrophobicContact CD2-CG 4.33Å; F26-L86 HydrophobicContact CE2-CB 4.31Å; F26-L86 HydrophobicContact CE2-CD1 3.79Å; F26-L86 HydrophobicContact CE2-CG 4Å; F26-L86 HydrophobicContact CZ-CD1 4.47Å; F26-A93 HydrophobicContact CZ-CB 3.88Å; F26-V95 HydrophobicContact CD1-CG2 4.19Å
27E98.3Very high86.8Confident115 Ų11578.3 Ų78.354%0.53738%0.382SS..EExtended strand (participates in β ladder)trans-97.6121.6169.6-60.4-65.2168.900107.9K25 S83K25-E27 WeakPolarHBondContact CE-OE1 3.4Å; K25-E27 IonicContact NZ-OE1 3.54Å; K25-E27 PolarHBondContact NZ-OE1 2.94Å; E27-S83 PolarHBondContact OE1-OG 3.48Å; E27-S83 WeakPolarHBondContact OE2-CB 3.46Å; E27-S83 PolarHBondContact OE2-OG 2.9Å
28L98.4Very high89.6Confident8 Ų871.2 Ų71.24%0.04234%0.344CS..EExtended strand (participates in β ladder)trans-106.4124.8179.7-76.767.5000108.5F26 L34 V76 T78 G81 C82 V84 V95F26-L28 HydrophobicContact CB-CD1 3.79Å; L28-L34 HydrophobicContact CD1-CB 4.19Å; L28-L34 HydrophobicContact CD2-CB 3.97Å; L28-L34 HydrophobicContact CG-CB 4.44Å; L28-V76 WeakPolarHBondContact CD2-O 3.44Å; L28-T78 HydrophobicContact CB-CG2 3.68Å; L28-T78 HydrophobicContact CD2-CG2 4.22Å; L28-G81 WeakPolarHBondContact O-CA 3.35Å; L28-C82 PolarHBondContact N-O 2.77Å; L28-C82 PolarHBondContact O-N 2.95Å; L28-V84 HydrophobicContact CD1-CG2 3.83Å; L28-V95 HydrophobicContact CD1-CG2 4.41Å; L28-V95 HydrophobicContact CG-CG2 4.5Å
29E98.1Very high91.7Very high120 Ų12068.7 Ų68.756%0.56133%0.328SS*.  trans-70.4164.8168.2-66.4177.717300110.2E31 T32 T78 K97E29-E31 PolarHBondContact O-N 2.93Å; E29-T32 HydrophobicContact CB-CG2 4.04Å; E29-T32 PolarHBondContact N-OG1 3.47Å; E29-T32 PolarHBondContact O-N 2.97Å; E29-T32 PolarHBondContact O-OG1 3.38Å; E29-T78 VanDerWaalsContact O-CG2 3.28Å; E29-T78 WeakPolarHBondContact O-CG2 3.3Å; E29-K97 WeakPolarHBondContact OE2-CE 3.36Å; E29-K97 IonicContact OE2-NZ 2.85Å; E29-K97 PolarHBondContact OE2-NZ 3.39Å
30R97.6Very high93.2Very high170 Ų17065.6 Ų65.664%0.64232%0.322SS*.THydrogen-bonded Turntrans-52.1138.8172172170.576.4-173.42.6111.1T32 W79R30-T32 VanDerWaalsContact C-N 3.28Å; R30-T32 PolarHBondContact O-N 3Å; R30-W79 WeakPolarHBondContact CD-O 3.39Å; R30-W79 VanDerWaalsContact CG-O 3.26Å; R30-W79 WeakPolarHBondContact CG-O 3.42Å
31E97.3Very high94Very high75 Ų7562.4 Ų62.435%0.3532%0.322SS..THydrogen-bonded Turntrans62.433.1175.7-67.4161.7-153.200113.4E29 F77 T78 W79E29-E31 PolarHBondContact O-N 2.93Å; E31-F77 HydrophobicContact CB-CZ 4.39Å; E31-F77 HydrophobicContact CG-CZ 4.5Å; E31-T78 WeakPolarHBondContact CA-O 3.34Å; E31-T78 PolarHBondContact N-O 3.34Å; E31-W79 HydrophobicContact CG-CE3 4.27Å; E31-W79 HydrophobicContact CG-CZ3 4.42Å
32T97.9Very high94.4Very high3 Ų361.2 Ų61.22%0.01832%0.319CS..EExtended strand (participates in β ladder)trans-119.8159.7173.969.40000111.1E29 R30 F77 T78 S96 K97E29-T32 HydrophobicContact CB-CG2 4.04Å; E29-T32 PolarHBondContact N-OG1 3.47Å; E29-T32 PolarHBondContact O-N 2.97Å; E29-T32 PolarHBondContact O-OG1 3.38Å; R30-T32 VanDerWaalsContact C-N 3.28Å; R30-T32 PolarHBondContact O-N 3Å; T32-F77 WeakPolarHBondContact O-CD2 3.38Å; T32-T78 PolarHBondContact O-N 3.29Å; T32-S96 WeakPolarHBondContact CA-O 3.11Å; T32-S96 WeakPolarHBondContact CB-O 3.36Å; T32-K97 HydrophobicContact CG2-CB 4.37Å; T32-K97 HydrophobicContact CG2-CD 4.47Å; T32-K97 HydrophobicContact CG2-CG 3.79Å
33E97.9Very high94.5Very high10 Ų1059.5 Ų59.55%0.04731%0.308CS..EExtended strand (participates in β ladder)trans-128.2142.2171.261.7-169.1-163.800113R35 V76 F77 V95 S96 T99E33-R35 HydrophobicContact CG-CG 4.12Å; E33-R35 IonicContact OE1-CZ 2.83Å; E33-R35 IonicContact OE1-NE 2.65Å; E33-R35 PolarHBondContact OE1-NE 3.26Å; E33-R35 IonicContact OE1-NH2 3.78Å; E33-R35 PolarHBondContact OE1-NH2 3.08Å; E33-V76 CarbonylContact C-O 3.56Å; E33-V76 WeakPolarHBondContact CA-O 3.27Å; E33-V76 WeakPolarHBondContact CB-O 3.2Å; E33-F77 HydrophobicContact CB-CB 4.07Å; E33-F77 HydrophobicContact CB-CD2 3.99Å; E33-V95 CarbonylContact O-C 3.55Å; E33-V95 WeakPolarHBondContact O-CA 2.87Å; E33-S96 PolarHBondContact N-O 2.9Å; E33-S96 PolarHBondContact O-N 3.48Å; E33-T99 HydrophobicContact CB-CG2 4.43Å; E33-T99 VanDerWaalsContact CD-CG2 3.47Å; E33-T99 HydrophobicContact CG-CG2 3.57Å
34L98.2Very high94.6Very high0 Ų055.6 Ų55.60%028%0.284CS..EExtended strand (participates in β ladder)trans-84.4119.6163.9172.464.4000108.4F26 L28 F36 A75 V76 V84 L86 V95F26-L34 HydrophobicContact CB-CD2 4.18Å; F26-L34 HydrophobicContact CD1-CD1 3.7Å; F26-L34 HydrophobicContact CD2-CD1 4.18Å; F26-L34 HydrophobicContact CD2-CD2 3.77Å; F26-L34 HydrophobicContact CE1-CD1 3.85Å; F26-L34 HydrophobicContact CE2-CD1 4.32Å; F26-L34 HydrophobicContact CE2-CD2 4.3Å; F26-L34 HydrophobicContact CG-CD1 3.87Å; F26-L34 HydrophobicContact CG-CD2 3.94Å; F26-L34 HydrophobicContact CZ-CD1 4.16Å; L28-L34 HydrophobicContact CD1-CB 4.19Å; L28-L34 HydrophobicContact CD2-CB 3.97Å; L28-L34 HydrophobicContact CG-CB 4.44Å; L34-F36 HydrophobicContact CD2-CD1 4.48Å; L34-F36 HydrophobicContact CG-CD1 4.37Å; L34-A75 CarbonylContact O-C 3.58Å; L34-A75 WeakPolarHBondContact O-CA 3.39Å; L34-V76 HydrophobicContact CB-CB 4.32Å; L34-V76 PolarHBondContact N-O 2.84Å; L34-V76 PolarHBondContact O-N 2.82Å; L34-V84 HydrophobicContact CD2-CG2 3.52Å; L34-L86 HydrophobicContact CD2-CD1 4.08Å; L34-L86 HydrophobicContact CD2-CG 4.22Å; L34-V95 HydrophobicContact CD1-CG2 4.3Å
35R97.6Very high94.7Very high19 Ų1954.8 Ų54.87%0.07228%0.275CS..EExtended strand (participates in β ladder)trans-101.6129.9171.8-63.1176.5-178.5156.410.6108.7E33 V74 A75 A93 Y94 S96 D98 S293E33-R35 HydrophobicContact CG-CG 4.12Å; E33-R35 IonicContact OE1-CZ 2.83Å; E33-R35 IonicContact OE1-NE 2.65Å; E33-R35 PolarHBondContact OE1-NE 3.26Å; E33-R35 IonicContact OE1-NH2 3.78Å; E33-R35 PolarHBondContact OE1-NH2 3.08Å; R35-V74 WeakPolarHBondContact CA-O 3.39Å; R35-A75 HydrophobicContact CG-CB 4.41Å; R35-A93 CarbonylContact O-C 3.52Å; R35-A93 VanDerWaalsContact O-CA 3.31Å; R35-A93 WeakPolarHBondContact O-CA 3.11Å; R35-Y94 HydrophobicContact CB-CE1 4.05Å; R35-Y94 HydrophobicContact CB-CE2 4.28Å; R35-Y94 VanDerWaalsContact CD-OH 3.26Å; R35-Y94 WeakPolarHBondContact CD-OH 3.26Å; R35-Y94 HydrophobicContact CG-CE2 4.48Å; R35-Y94 PolarHBondContact N-O 3.46Å; R35-Y94 PolarHBondContact O-N 3.29Å; R35-S96 PolarHBondContact NH1-OG 3.47Å; R35-S96 PolarHBondContact NH2-OG 2.9Å; R35-D98 PolarHBondContact NH2-O 3.5Å; R35-S293 PolarHBondContact NH2-OG 2.66Å
36F96.3Very high94.7Very high2 Ų248.9 Ų48.91%0.00925%0.25CC..EExtended strand (participates in β ladder)trans-142.9152.9172.970.6-89.3000112.8L34 V38 V44 F68 V74 V76 L86 T90 V92 A93L34-F36 HydrophobicContact CD2-CD1 4.48Å; L34-F36 HydrophobicContact CG-CD1 4.37Å; F36-V38 HydrophobicContact CD2-CG2 4.33Å; F36-V38 HydrophobicContact CE2-CG2 4.1Å; F36-V44 HydrophobicContact CD2-CG1 4.46Å; F36-V44 HydrophobicContact CE2-CG1 4.13Å; F36-F68 HydrophobicContact CE2-CB 4.49Å; F36-F68 HydrophobicContact CE2-CD2 4.2Å; F36-F68 HydrophobicContact CE2-CG 4.42Å; F36-F68 AromaticContact CZ-CD2 3.8Å; F36-F68 HydrophobicContact CZ-CD2 3.8Å; F36-F68 HydrophobicContact CZ-CE2 4.02Å; F36-F68 HydrophobicContact CZ-CG 4.32Å; F36-V74 HydrophobicContact CD1-CB 4.06Å; F36-V74 HydrophobicContact CD1-CG1 4.42Å; F36-V74 HydrophobicContact CD2-CB 4.42Å; F36-V74 HydrophobicContact CE1-CB 3.54Å; F36-V74 HydrophobicContact CE1-CG1 3.57Å; F36-V74 HydrophobicContact CE1-CG2 4.34Å; F36-V74 HydrophobicContact CE2-CB 3.93Å; F36-V74 HydrophobicContact CE2-CG2 3.93Å; F36-V74 HydrophobicContact CG-CB 4.49Å; F36-V74 HydrophobicContact CZ-CB 3.47Å; F36-V74 VanDerWaalsContact CZ-CB 3.47Å; F36-V74 HydrophobicContact CZ-CG1 3.68Å; F36-V74 HydrophobicContact CZ-CG2 3.74Å; F36-V74 PolarHBondContact N-O 2.97Å; F36-V74 PolarHBondContact O-N 3.4Å; F36-V76 HydrophobicContact CE1-CG2 3.98Å; F36-L86 HydrophobicContact CB-CD1 4Å; F36-L86 HydrophobicContact CD1-CD1 4.03Å; F36-L86 HydrophobicContact CD1-CD2 4.18Å; F36-L86 HydrophobicContact CD2-CD1 4.39Å; F36-L86 HydrophobicContact CE1-CD2 3.95Å; F36-L86 HydrophobicContact CE2-CD2 4.49Å; F36-L86 HydrophobicContact CG-CD1 3.89Å; F36-L86 HydrophobicContact CZ-CD2 4.11Å; F36-T90 HydrophobicContact CB-CG2 4.28Å; F36-T90 HydrophobicContact CD2-CG2 4.29Å; F36-V92 CarbonylContact C-O 3.56Å; F36-V92 WeakPolarHBondContact CA-O 3.38Å; F36-V92 WeakPolarHBondContact CB-O 3.5Å; F36-A93 HydrophobicContact CB-CB 3.96Å
37E94.4Very high94.7Very high37 Ų3748.8 Ų48.817%0.17325%0.249CC..EExtended strand (participates in β ladder)trans-122.2133.2175.4-57.2-162.4-145.400109.9A72 K73 T90 E91 V92 V297E37-A72 WeakPolarHBondContact CA-O 3.49Å; E37-K73 HydrophobicContact CG-CG 3.98Å; E37-K73 WeakPolarHBondContact OE2-CE 3.41Å; E37-K73 IonicContact OE2-NZ 2.69Å; E37-K73 PolarHBondContact OE2-NZ 3.3Å; E37-T90 CarbonylContact O-C 3.37Å; E37-T90 VanDerWaalsContact O-CA 3.31Å; E37-T90 WeakPolarHBondContact O-CA 3.43Å; E37-T90 WeakPolarHBondContact O-CB 3.19Å; E37-E91 HydrophobicContact CB-CB 4.42Å; E37-E91 PolarHBondContact O-N 3.14Å; E37-V92 PolarHBondContact N-O 3Å; E37-V297 WeakPolarHBondContact OE1-CG2 3.32Å
38V92.1Very high94.7Very high2 Ų243.4 Ų43.41%0.01222%0.224CC..EExtended strand (participates in β ladder)trans-84.2123.5178.3-174.50000109.1F36 Q42 V44 F68 D69 G71 A72F36-V38 HydrophobicContact CD2-CG2 4.33Å; F36-V38 HydrophobicContact CE2-CG2 4.1Å; V38-Q42 HydrophobicContact CG1-CB 4.41Å; V38-Q42 WeakPolarHBondContact CG1-O 3.41Å; V38-V44 HydrophobicContact CB-CG2 4.49Å; V38-V44 HydrophobicContact CG1-CG2 4.04Å; V38-V44 HydrophobicContact CG2-CB 4.02Å; V38-V44 HydrophobicContact CG2-CG2 4.07Å; V38-F68 HydrophobicContact CG2-CB 3.86Å; V38-D69 WeakPolarHBondContact CB-O 3.37Å; V38-G71 PolarHBondContact O-N 3.3Å; V38-G71 VanDerWaalsContact O-N 3.09Å; V38-A72 HydrophobicContact CB-CB 4.38Å; V38-A72 HydrophobicContact CG2-CB 3.89Å; V38-A72 PolarHBondContact N-O 3.45Å
39E85.1Confident94.7Very high78 Ų7844.7 Ų44.736%0.36423%0.231SC..PPolyproline II helixtrans-57.9151.3178-172.3179.6-173.900111.3S41 Q42 R89 E91E39-S41 PolarHBondContact O-N 3.02Å; E39-Q42 HydrophobicContact CB-CB 4.22Å; E39-Q42 HydrophobicContact CB-CG 3.99Å; E39-Q42 HydrophobicContact CG-CG 4.31Å; E39-Q42 PolarHBondContact O-N 3.4Å; E39-Q42 VanDerWaalsContact O-N 3.15Å; E39-R89 WeakPolarHBondContact OE2-CB 3.49Å; E39-E91 HydrophobicContact CB-CB 4.38Å
40A82.2Confident94.7Very high75 Ų7542.1 Ų42.162%0.6222%0.224SC*.THydrogen-bonded Turntrans-54136.7176.500000111.6Q42A40-Q42 PolarHBondContact O-N 2.87Å; A40-Q42 VanDerWaalsContact O-N 3.13Å
41S83.6Confident94.7Very high114 Ų11436.3 Ų36.380%0.79722%0.217SC*.THydrogen-bonded Turntrans60.714.1-179-49.90000115.8E39 A70E39-S41 PolarHBondContact O-N 3.02Å; S41-A70 VanDerWaalsContact N-CB 3.34Å
42Q89.9Confident94.7Very high74 Ų7438 Ų3835%0.34623%0.226SC..  trans-110.4166.3175.9-61.5-61-49.400111.5V38 E39 A40 A70 R89V38-Q42 HydrophobicContact CG1-CB 4.41Å; V38-Q42 WeakPolarHBondContact CG1-O 3.41Å; E39-Q42 HydrophobicContact CB-CB 4.22Å; E39-Q42 HydrophobicContact CB-CG 3.99Å; E39-Q42 HydrophobicContact CG-CG 4.31Å; E39-Q42 PolarHBondContact O-N 3.4Å; E39-Q42 VanDerWaalsContact O-N 3.15Å; A40-Q42 PolarHBondContact O-N 2.87Å; A40-Q42 VanDerWaalsContact O-N 3.13Å; Q42-A70 PolarHBondContact O-N 2.86Å; Q42-R89 HydrophobicContact CG-CB 4.23Å
43S93.4Very high94.7Very high34 Ų3438.2 Ų38.224%0.23823%0.228CC..  trans-129.2142.3166.554.30000110.3F68S43-F68 CarbonylContact C-O 3.55Å; S43-F68 VanDerWaalsContact CA-O 3.27Å; S43-F68 WeakPolarHBondContact CA-O 3.39Å
44V96.6Very high94.8Very high0 Ų038 Ų380%023%0.227CC..EExtended strand (participates in β ladder)trans-119.4130.2178.9172.50000109.3F36 V38 F68 L86 S87 R89 T90F36-V44 HydrophobicContact CD2-CG1 4.46Å; F36-V44 HydrophobicContact CE2-CG1 4.13Å; V38-V44 HydrophobicContact CB-CG2 4.49Å; V38-V44 HydrophobicContact CG1-CG2 4.04Å; V38-V44 HydrophobicContact CG2-CB 4.02Å; V38-V44 HydrophobicContact CG2-CG2 4.07Å; V44-F68 PolarHBondContact N-O 2.97Å; V44-F68 PolarHBondContact O-N 3.21Å; V44-L86 HydrophobicContact CG1-CB 4.19Å; V44-L86 HydrophobicContact CG1-CD2 3.93Å; V44-L86 HydrophobicContact CG1-CG 4.47Å; V44-S87 WeakPolarHBondContact CA-O 3.47Å; V44-R89 WeakPolarHBondContact CG2-O 3.41Å; V44-T90 HydrophobicContact CG1-CG2 4.18Å; V44-T90 HydrophobicContact CG2-CG2 3.79Å
45Q97.5Very high94.8Very high57 Ų5738 Ų3827%0.26623%0.227SC..EExtended strand (participates in β ladder)trans-95.8128.4172.1-65.3-173.8-19.500110.4F66 T67 L86 S87Q45-F66 CarbonylContact C-O 3.57Å; Q45-F66 VanDerWaalsContact CA-O 3.27Å; Q45-F66 WeakPolarHBondContact CA-O 3.42Å; Q45-T67 HydrophobicContact CG-CG2 4.44Å; Q45-L86 CarbonylContact O-C 3.54Å; Q45-L86 VanDerWaalsContact O-CA 3.29Å; Q45-L86 WeakPolarHBondContact O-CA 3.45Å; Q45-S87 PolarHBondContact N-O 2.92Å; Q45-S87 PolarHBondContact O-N 2.99Å
46L98.1Very high94.7Very high0 Ų039.2 Ų39.20%023%0.233CC..EExtended strand (participates in β ladder)trans-104.3134.9171.6174.973.6000109.7I55 L60 K65 F66 F68 V76 V84 Q85 L86L46-I55 HydrophobicContact CD2-CD1 3.62Å; L46-L60 HydrophobicContact CD2-CD1 3.91Å; L46-K65 WeakPolarHBondContact O-CA 3.47Å; L46-F66 PolarHBondContact N-O 2.85Å; L46-F66 PolarHBondContact O-N 2.93Å; L46-F68 HydrophobicContact CB-CD2 4.33Å; L46-F68 HydrophobicContact CB-CE2 3.81Å; L46-F68 HydrophobicContact CD2-CE2 4Å; L46-F68 HydrophobicContact CD2-CZ 4.48Å; L46-V76 HydrophobicContact CD1-CG2 4.08Å; L46-V76 HydrophobicContact CD2-CG2 3.59Å; L46-V84 HydrophobicContact CD1-CB 4.01Å; L46-V84 HydrophobicContact CD1-CG2 4.36Å; L46-Q85 CarbonylContact C-O 3.59Å; L46-Q85 WeakPolarHBondContact CA-O 3.46Å; L46-L86 HydrophobicContact CB-CD2 3.99Å; L46-L86 HydrophobicContact CD1-CD2 3.47Å; L46-L86 VanDerWaalsContact CD1-CD2 3.47Å; L46-L86 HydrophobicContact CG-CD2 4.33Å
47E98.3Very high94.8Very high31 Ų3139.1 Ų39.115%0.14523%0.233CC..EExtended strand (participates in β ladder)trans-133.2130.5173.1-171.8174.1168.600110.7L49 N63 K65 V84 Q85E47-L49 HydrophobicContact CG-CD2 4.13Å; E47-N63 WeakPolarHBondContact OE1-CA 3.38Å; E47-K65 HydrophobicContact CB-CG 4.41Å; E47-K65 HydrophobicContact CG-CG 4.4Å; E47-K65 WeakPolarHBondContact OE2-CE 3.43Å; E47-V84 CarbonylContact O-C 3.52Å; E47-V84 VanDerWaalsContact O-CA 3.3Å; E47-V84 WeakPolarHBondContact O-CA 3.4Å; E47-Q85 PolarHBondContact N-O 2.92Å; E47-Q85 PolarHBondContact O-N 3.34Å
48L98.4Very high94.9Very high2 Ų238 Ų381%0.0123%0.228CC..EExtended strand (participates in β ladder)trans-83.7115170.317667.2000109.4T50 A53 L60 R62 N63 C82 V84L48-T50 VanDerWaalsContact CD1-O 3.3Å; L48-T50 WeakPolarHBondContact CD1-O 3.22Å; L48-A53 HydrophobicContact CD1-CB 3.9Å; L48-A53 HydrophobicContact CD2-CB 4.48Å; L48-L60 HydrophobicContact CB-CB 4.22Å; L48-L60 HydrophobicContact CD2-CB 3.96Å; L48-R62 WeakPolarHBondContact O-CA 3.34Å; L48-N63 PolarHBondContact O-N 2.77Å; L48-C82 HydrophobicContact CD1-CB 3.83Å; L48-V84 HydrophobicContact CD1-CG1 3.87Å
49L98.2Very high95.2Very high36 Ų3643.5 Ų43.519%0.18825%0.254CS..EExtended strand (participates in β ladder)trans-88.5-45.9-177.4-56.9-179.7000112.3K25 E47 R62 S83 Q85K25-L49 HydrophobicContact CD-CD1 4.2Å; K25-L49 HydrophobicContact CG-CD1 4.24Å; E47-L49 HydrophobicContact CG-CD2 4.13Å; L49-R62 PolarHBondContact O-NE 3.3Å; L49-R62 PolarHBondContact O-NH2 2.79Å; L49-S83 WeakPolarHBondContact CB-O 3.24Å; L49-S83 PolarHBondContact N-O 3.37Å; L49-Q85 HydrophobicContact CD1-CB 4.07Å; L49-Q85 HydrophobicContact CD2-CB 4.31Å; L49-Q85 HydrophobicContact CG-CB 4.22Å
50T98Very high95.8Very high66 Ų6640.5 Ų40.541%0.40524%0.24SC..EExtended strand (participates in β ladder)trans-147.5158.8-178.663.30000111.5L48 C82 S83L48-T50 VanDerWaalsContact CD1-O 3.3Å; L48-T50 WeakPolarHBondContact CD1-O 3.22Å; T50-C82 WeakPolarHBondContact O-CA 3.36Å; T50-C82 VanDerWaalsContact O-CB 3.26Å; T50-C82 WeakPolarHBondContact O-CB 3.39Å; T50-S83 PolarHBondContact N-O 3.32Å; T50-S83 PolarHBondContact O-N 2.94Å; T50-S83 WeakPolarHBondContact OG1-CB 3.28Å
51G97.8Very high96.5Very high48 Ų4841 Ų4150%0.49524%0.235SC..EExtended strand (participates in β ladder)trans78.7-155.9178.600000113.3
52M97.9Very high97.1Very high111 Ų11142.8 Ų42.855%0.54723%0.225SC..  trans-127.8136.6179.5-67.5-178.4-79.600109.6T78 H80M52-T78 VanDerWaalsContact O-CB 3.25Å; M52-T78 WeakPolarHBondContact O-CB 3.39Å; M52-T78 PolarHBondContact O-OG1 2.91Å; M52-H80 HydrophobicContact CE-CB 4.09Å; M52-H80 WeakPolarHBondContact CE-CD2 3.47Å
53A98.4Very high97.3Very high7 Ų743.9 Ų43.96%0.05823%0.233CC..  trans-146.8159178.300000110.4L48 L60 V76 F77 C82L48-A53 HydrophobicContact CD1-CB 3.9Å; L48-A53 HydrophobicContact CD2-CB 4.48Å; A53-L60 HydrophobicContact CB-CD1 4.03Å; A53-L60 HydrophobicContact CB-CG 4.43Å; A53-L60 PolarHBondContact O-N 3.16Å; A53-V76 HydrophobicContact CB-CG1 3.87Å; A53-F77 CarbonylContact C-O 3.58Å; A53-F77 VanDerWaalsContact CA-O 3.26Å; A53-F77 WeakPolarHBondContact CA-O 3.38Å; A53-C82 HydrophobicContact CB-CB 4.29Å
54E98.4Very high97.5Very high4 Ų446.4 Ų46.42%0.01924%0.24CC..EExtended strand (participates in β ladder)trans-140.9150.2178.561-174.8-162.500111.8T58 F77 W79 M101 Y148 R151E54-T58 CarbonylContact C-O 3.57Å; E54-T58 WeakPolarHBondContact CA-O 3.46Å; E54-T58 VanDerWaalsContact CB-O 3.27Å; E54-T58 WeakPolarHBondContact CB-O 3.43Å; E54-F77 HydrophobicContact CG-CB 4.47Å; E54-F77 HydrophobicContact CG-CD1 4.42Å; E54-F77 PolarHBondContact N-O 3.29Å; E54-F77 PolarHBondContact O-N 3.04Å; E54-W79 PolarHBondContact OE1-NE1 3.03Å; E54-M101 WeakPolarHBondContact OE1-CE 3.4Å; E54-Y148 PolarHBondContact OE1-OH 3.32Å; E54-R151 IonicContact OE2-CZ 3.13Å; E54-R151 IonicContact OE2-NH1 2.86Å; E54-R151 PolarHBondContact OE2-NH1 3.09Å; E54-R151 IonicContact OE2-NH2 3.55Å
55I98.1Very high97.5Very high2 Ų251.9 Ų51.91%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-112.5112.7169-68.4174.9000107.3L46 G57 T58 L60 F68 V74 V76 V185L46-I55 HydrophobicContact CD2-CD1 3.62Å; I55-G57 PolarHBondContact O-N 3.4Å; I55-G57 VanDerWaalsContact O-N 3.13Å; I55-T58 PolarHBondContact N-O 3.13Å; I55-T58 WeakPolarHBondContact O-CB 3.4Å; I55-T58 PolarHBondContact O-N 3.36Å; I55-L60 HydrophobicContact CD1-CD1 4.41Å; I55-L60 HydrophobicContact CD1-CD2 3.95Å; I55-L60 HydrophobicContact CG1-CD1 4.39Å; I55-L60 HydrophobicContact CG1-CD2 4.05Å; I55-F68 HydrophobicContact CD1-CE2 4.41Å; I55-F68 HydrophobicContact CD1-CZ 3.68Å; I55-V74 HydrophobicContact CD1-CG1 3.73Å; I55-V74 HydrophobicContact CG1-CG1 4.23Å; I55-V74 HydrophobicContact CG2-CG1 4.27Å; I55-V76 HydrophobicContact CD1-CG2 4.04Å; I55-V76 HydrophobicContact CG1-CB 4.46Å; I55-V76 HydrophobicContact CG1-CG2 4Å; I55-V185 HydrophobicContact CD1-CG1 3.69Å
56F96.3Very high97.5Very high44 Ų4449.3 Ų49.319%0.19325%0.251CS..THydrogen-bonded Turntrans48.742.1179.5-47.8-44.2000113.1A75 T140 R143 L144 N147F56-A75 HydrophobicContact CE1-CB 4.01Å; F56-A75 HydrophobicContact CZ-CB 4.49Å; F56-T140 HydrophobicContact CD1-CG2 3.29Å; F56-T140 HydrophobicContact CD2-CG2 4.45Å; F56-T140 HydrophobicContact CE1-CG2 3.44Å; F56-T140 VanDerWaalsContact CE1-CG2 3.44Å; F56-T140 HydrophobicContact CG-CG2 3.84Å; F56-T140 HydrophobicContact CZ-CG2 4.11Å; F56-R143 HydrophobicContact CB-CG 4.23Å; F56-L144 WeakPolarHBondContact O-CA 3.32Å; F56-N147 PolarHBondContact O-ND2 2.93Å
57G97.2Very high97.4Very high0 Ų050.5 Ų50.50%026%0.259CS..THydrogen-bonded Turntrans86.3-6.4178.900000116.2I55 R151I55-G57 PolarHBondContact O-N 3.4Å; I55-G57 VanDerWaalsContact O-N 3.13Å; G57-R151 VanDerWaalsContact O-CD 3.28Å; G57-R151 WeakPolarHBondContact O-CD 3.27Å; G57-R151 PolarHBondContact O-NH1 3.24Å
58T97.9Very high97.3Very high12 Ų1249.9 Ų49.97%0.07426%0.256CS..EExtended strand (participates in β ladder)trans-84.9121170.5-60.80000109.7E54 I55 N147 A183 V185E54-T58 CarbonylContact C-O 3.57Å; E54-T58 WeakPolarHBondContact CA-O 3.46Å; E54-T58 VanDerWaalsContact CB-O 3.27Å; E54-T58 WeakPolarHBondContact CB-O 3.43Å; I55-T58 PolarHBondContact N-O 3.13Å; I55-T58 WeakPolarHBondContact O-CB 3.4Å; I55-T58 PolarHBondContact O-N 3.36Å; T58-N147 PolarHBondContact N-ND2 2.86Å; T58-N147 PolarHBondContact OG1-ND2 3.28Å; T58-A183 WeakPolarHBondContact CB-O 3.21Å; T58-A183 WeakPolarHBondContact CG2-O 3.41Å; T58-A183 PolarHBondContact OG1-O 3.15Å; T58-V185 HydrophobicContact CG2-CG2 3.73Å
59E97.6Very high97Very high119 Ų11953.5 Ų53.556%0.55628%0.275SS*.EExtended strand (participates in β ladder)trans-67.6135.1177.8-66.3174.9153.900111.8R151E59-R151 IonicContact OE1-CZ 2.68Å; E59-R151 IonicContact OE1-NE 2.61Å; E59-R151 PolarHBondContact OE1-NE 3.49Å; E59-R151 IonicContact OE1-NH2 3.32Å; E59-R151 PolarHBondContact OE1-NH2 3.47Å
60L97.8Very high96.5Very high14 Ų1454.2 Ų54.27%0.07329%0.286CS..PPolyproline II helixtrans-82.5135.7175.8-60.2-172000110.7L46 L48 A53 I55 F66 V76 V185L46-L60 HydrophobicContact CD2-CD1 3.91Å; L48-L60 HydrophobicContact CB-CB 4.22Å; L48-L60 HydrophobicContact CD2-CB 3.96Å; A53-L60 HydrophobicContact CB-CD1 4.03Å; A53-L60 HydrophobicContact CB-CG 4.43Å; A53-L60 PolarHBondContact O-N 3.16Å; I55-L60 HydrophobicContact CD1-CD1 4.41Å; I55-L60 HydrophobicContact CD1-CD2 3.95Å; I55-L60 HydrophobicContact CG1-CD1 4.39Å; I55-L60 HydrophobicContact CG1-CD2 4.05Å; L60-F66 HydrophobicContact CB-CE2 4.38Å; L60-F66 HydrophobicContact CD2-CD2 4.34Å; L60-F66 HydrophobicContact CD2-CE2 3.95Å; L60-F66 HydrophobicContact CD2-CZ 4.21Å; L60-V76 HydrophobicContact CD1-CG1 3.77Å; L60-V185 HydrophobicContact CD2-CG1 4.25Å; L60-V185 HydrophobicContact CD2-CG2 3.64Å
61T96.8Very high96Very high85 Ų8552.3 Ų52.352%0.52128%0.279SS..PPolyproline II helixtrans-82.8128.5172.3-49.10000109.7K64T61-K64 HydrophobicContact CG2-CB 4.39Å; T61-K64 WeakPolarHBondContact O-CB 3.44Å; T61-K64 PolarHBondContact O-N 3.38Å
62R96.9Very high95.6Very high153 Ų15351.2 Ų51.258%0.57727%0.266SS*.BIsolated β-bridgetrans-58.1138.2177.1-172.8-178.6175.2-167.7-3.2111.1L48 L49 K64L48-R62 WeakPolarHBondContact O-CA 3.34Å; L49-R62 PolarHBondContact O-NE 3.3Å; L49-R62 PolarHBondContact O-NH2 2.79Å; R62-K64 PolarHBondContact O-N 2.73Å; R62-K64 VanDerWaalsContact O-N 3.1Å
63N94.2Very high95.4Very high97 Ų9748.7 Ų48.752%0.51925%0.252SS..THydrogen-bonded Turntrans59.710.9-178.8-48.9-27.9000115.1E47 L48E47-N63 WeakPolarHBondContact OE1-CA 3.38Å; L48-N63 PolarHBondContact O-N 2.77Å
64K97.2Very high95.2Very high87 Ų8749 Ų4938%0.37825%0.253SS..  trans-88.2131.3168.1-175.8175171.7-173.10108.3T61 R62 F66T61-K64 HydrophobicContact CG2-CB 4.39Å; T61-K64 WeakPolarHBondContact O-CB 3.44Å; T61-K64 PolarHBondContact O-N 3.38Å; R62-K64 PolarHBondContact O-N 2.73Å; R62-K64 VanDerWaalsContact O-N 3.1Å; K64-F66 HydrophobicContact CB-CE2 4.04Å; K64-F66 HydrophobicContact CB-CZ 4.12Å; K64-F66 HydrophobicContact CD-CE1 3.76Å; K64-F66 HydrophobicContact CD-CE2 4.35Å; K64-F66 HydrophobicContact CD-CZ 3.62Å; K64-F66 HydrophobicContact CG-CE1 4.2Å; K64-F66 HydrophobicContact CG-CE2 4.12Å; K64-F66 HydrophobicContact CG-CZ 3.89Å; K64-F66 WeakPolarHBondContact O-CD2 3.31Å
65K96.9Very high95.2Very high114 Ų11449.4 Ų49.450%0.49626%0.257SS..EExtended strand (participates in β ladder)trans-88.2130.4173.7-63.4-176.8177.5-175.20109.7L46 E47L46-K65 WeakPolarHBondContact O-CA 3.47Å; E47-K65 HydrophobicContact CB-CG 4.41Å; E47-K65 HydrophobicContact CG-CG 4.4Å; E47-K65 WeakPolarHBondContact OE2-CE 3.43Å
66F97.3Very high95.2Very high3 Ų349.3 Ų49.31%0.01326%0.257CS..EExtended strand (participates in β ladder)trans-115.1132.5173.9-58.9-84.7000108.5Q45 L46 L60 K64 F68 V185 E186Q45-F66 CarbonylContact C-O 3.57Å; Q45-F66 VanDerWaalsContact CA-O 3.27Å; Q45-F66 WeakPolarHBondContact CA-O 3.42Å; L46-F66 PolarHBondContact N-O 2.85Å; L46-F66 PolarHBondContact O-N 2.93Å; L60-F66 HydrophobicContact CB-CE2 4.38Å; L60-F66 HydrophobicContact CD2-CD2 4.34Å; L60-F66 HydrophobicContact CD2-CE2 3.95Å; L60-F66 HydrophobicContact CD2-CZ 4.21Å; K64-F66 HydrophobicContact CB-CE2 4.04Å; K64-F66 HydrophobicContact CB-CZ 4.12Å; K64-F66 HydrophobicContact CD-CE1 3.76Å; K64-F66 HydrophobicContact CD-CE2 4.35Å; K64-F66 HydrophobicContact CD-CZ 3.62Å; K64-F66 HydrophobicContact CG-CE1 4.2Å; K64-F66 HydrophobicContact CG-CE2 4.12Å; K64-F66 HydrophobicContact CG-CZ 3.89Å; K64-F66 WeakPolarHBondContact O-CD2 3.31Å; F66-F68 HydrophobicContact CB-CE2 3.94Å; F66-F68 HydrophobicContact CB-CZ 4.27Å; F66-V185 HydrophobicContact CB-CG1 4.11Å; F66-V185 HydrophobicContact CD1-CB 3.56Å; F66-V185 HydrophobicContact CD1-CG1 3.68Å; F66-V185 HydrophobicContact CD1-CG2 4.01Å; F66-V185 HydrophobicContact CE1-CB 3.68Å; F66-V185 HydrophobicContact CE1-CG1 4.19Å; F66-V185 HydrophobicContact CE1-CG2 3.63Å; F66-V185 HydrophobicContact CG-CB 4.28Å; F66-V185 HydrophobicContact CG-CG1 3.9Å; F66-V185 HydrophobicContact CZ-CG2 4.07Å; F66-E186 HydrophobicContact CB-CG 4.31Å; F66-E186 HydrophobicContact CD1-CG 4.41Å
67T96.4Very high95.3Very high26 Ų2647.4 Ų47.416%0.1625%0.248CC..EExtended strand (participates in β ladder)trans-109.8126.9-175.9-56.90000110.3Q45 E186 R320Q45-T67 HydrophobicContact CG-CG2 4.44Å; T67-E186 WeakPolarHBondContact CA-OE1 3.24Å; T67-E186 WeakPolarHBondContact CB-OE1 3.05Å; T67-E186 PolarHBondContact N-OE1 2.79Å; T67-R320 VanDerWaalsContact CB-NH2 3.27Å; T67-R320 PolarHBondContact O-NH2 2.92Å
68F95.6Very high95.3Very high17 Ų1747.5 Ų47.58%0.07525%0.249CC..EExtended strand (participates in β ladder)trans-113.1129.6178.5-61.6-84.4000109.7F36 V38 S43 V44 L46 I55 F66 A72 V74 V185F36-F68 HydrophobicContact CE2-CB 4.49Å; F36-F68 HydrophobicContact CE2-CD2 4.2Å; F36-F68 HydrophobicContact CE2-CG 4.42Å; F36-F68 AromaticContact CZ-CD2 3.8Å; F36-F68 HydrophobicContact CZ-CD2 3.8Å; F36-F68 HydrophobicContact CZ-CE2 4.02Å; F36-F68 HydrophobicContact CZ-CG 4.32Å; V38-F68 HydrophobicContact CG2-CB 3.86Å; S43-F68 CarbonylContact C-O 3.55Å; S43-F68 VanDerWaalsContact CA-O 3.27Å; S43-F68 WeakPolarHBondContact CA-O 3.39Å; V44-F68 PolarHBondContact N-O 2.97Å; V44-F68 PolarHBondContact O-N 3.21Å; L46-F68 HydrophobicContact CB-CD2 4.33Å; L46-F68 HydrophobicContact CB-CE2 3.81Å; L46-F68 HydrophobicContact CD2-CE2 4Å; L46-F68 HydrophobicContact CD2-CZ 4.48Å; I55-F68 HydrophobicContact CD1-CE2 4.41Å; I55-F68 HydrophobicContact CD1-CZ 3.68Å; F66-F68 HydrophobicContact CB-CE2 3.94Å; F66-F68 HydrophobicContact CB-CZ 4.27Å; F68-A72 HydrophobicContact CB-CB 3.93Å; F68-A72 HydrophobicContact CD1-CB 4.47Å; F68-V74 HydrophobicContact CD1-CG2 3.6Å; F68-V74 HydrophobicContact CE1-CG1 4.27Å; F68-V74 HydrophobicContact CE1-CG2 3.78Å; F68-V74 HydrophobicContact CG-CG2 4.02Å; F68-V74 HydrophobicContact CZ-CG1 4.17Å; F68-V74 HydrophobicContact CZ-CG2 4.34Å; F68-V185 HydrophobicContact CE1-CG1 4.14Å; F68-V185 HydrophobicContact CZ-CG1 3.57Å
69D92.5Very high95.4Very high78 Ų7849.1 Ų49.142%0.41725%0.253SS..  trans-88171.8-177.5-60.1-49000111.9V38 G71 A72 R320V38-D69 WeakPolarHBondContact CB-O 3.37Å; D69-G71 PolarHBondContact O-N 3.13Å; D69-A72 WeakPolarHBondContact O-CB 3.33Å; D69-A72 PolarHBondContact O-N 3.17Å; D69-A72 VanDerWaalsContact O-N 3.11Å; D69-R320 IonicContact OD2-NH2 2.76Å
70A88.3Confident95.3Very high52 Ų5249.6 Ų49.643%0.4326%0.256SS..THydrogen-bonded Turntrans-49.2135.9-176.800000113S41 Q42 A72S41-A70 VanDerWaalsContact N-CB 3.34Å; Q42-A70 PolarHBondContact O-N 2.86Å; A70-A72 PolarHBondContact O-N 3.04Å
71G85.5Confident95.4Very high25 Ų2549.9 Ų49.926%0.25826%0.261SS..THydrogen-bonded Turntrans80.1-3.9179.700000114.9V38 D69 K73V38-G71 PolarHBondContact O-N 3.3Å; V38-G71 VanDerWaalsContact O-N 3.09Å; D69-G71 PolarHBondContact O-N 3.13Å; G71-K73 PolarHBondContact O-N 2.79Å
72A90.8Very high95.4Very high25 Ų2546.1 Ų46.121%0.20724%0.239CC..  trans-62.4133.1172.200000111E37 V38 F68 D69 A70 V74E37-A72 WeakPolarHBondContact CA-O 3.49Å; V38-A72 HydrophobicContact CB-CB 4.38Å; V38-A72 HydrophobicContact CG2-CB 3.89Å; V38-A72 PolarHBondContact N-O 3.45Å; F68-A72 HydrophobicContact CB-CB 3.93Å; F68-A72 HydrophobicContact CD1-CB 4.47Å; D69-A72 WeakPolarHBondContact O-CB 3.33Å; D69-A72 PolarHBondContact O-N 3.17Å; D69-A72 VanDerWaalsContact O-N 3.11Å; A70-A72 PolarHBondContact O-N 3.04Å; A72-V74 HydrophobicContact CB-CG2 4.29Å
73K92.4Very high95.5Very high59 Ų5938.9 Ų38.926%0.25721%0.211SC..EExtended strand (participates in β ladder)trans-119.1112.5176.8-68.2168.6168.635.10107.6E37 G71 V297E37-K73 HydrophobicContact CG-CG 3.98Å; E37-K73 WeakPolarHBondContact OE2-CE 3.41Å; E37-K73 IonicContact OE2-NZ 2.69Å; E37-K73 PolarHBondContact OE2-NZ 3.3Å; G71-K73 PolarHBondContact O-N 2.79Å; K73-V297 HydrophobicContact CD-CB 3.98Å; K73-V297 HydrophobicContact CD-CG2 4.03Å
74V95.8Very high95.7Very high12 Ų1234.2 Ų34.27%0.07319%0.187CC..EExtended strand (participates in β ladder)trans-127.1141.1-166.4-175.10000110.4R35 F36 I55 F68 A72 V76R35-V74 WeakPolarHBondContact CA-O 3.39Å; F36-V74 HydrophobicContact CD1-CB 4.06Å; F36-V74 HydrophobicContact CD1-CG1 4.42Å; F36-V74 HydrophobicContact CD2-CB 4.42Å; F36-V74 HydrophobicContact CE1-CB 3.54Å; F36-V74 HydrophobicContact CE1-CG1 3.57Å; F36-V74 HydrophobicContact CE1-CG2 4.34Å; F36-V74 HydrophobicContact CE2-CB 3.93Å; F36-V74 HydrophobicContact CE2-CG2 3.93Å; F36-V74 HydrophobicContact CG-CB 4.49Å; F36-V74 HydrophobicContact CZ-CB 3.47Å; F36-V74 VanDerWaalsContact CZ-CB 3.47Å; F36-V74 HydrophobicContact CZ-CG1 3.68Å; F36-V74 HydrophobicContact CZ-CG2 3.74Å; F36-V74 PolarHBondContact N-O 2.97Å; F36-V74 PolarHBondContact O-N 3.4Å; I55-V74 HydrophobicContact CD1-CG1 3.73Å; I55-V74 HydrophobicContact CG1-CG1 4.23Å; I55-V74 HydrophobicContact CG2-CG1 4.27Å; F68-V74 HydrophobicContact CD1-CG2 3.6Å; F68-V74 HydrophobicContact CE1-CG1 4.27Å; F68-V74 HydrophobicContact CE1-CG2 3.78Å; F68-V74 HydrophobicContact CG-CG2 4.02Å; F68-V74 HydrophobicContact CZ-CG1 4.17Å; F68-V74 HydrophobicContact CZ-CG2 4.34Å; A72-V74 HydrophobicContact CB-CG2 4.29Å; V74-V76 HydrophobicContact CG1-CG2 4.28Å
75A97.3Very high95.7Very high14 Ų1432.3 Ų32.312%0.11618%0.179CC..EExtended strand (participates in β ladder)trans-123.9120.2169.800000109.3L34 R35 F56L34-A75 CarbonylContact O-C 3.58Å; L34-A75 WeakPolarHBondContact O-CA 3.39Å; R35-A75 HydrophobicContact CG-CB 4.41Å; F56-A75 HydrophobicContact CE1-CB 4.01Å; F56-A75 HydrophobicContact CZ-CB 4.49Å
76V98.2Very high95.8Very high0 Ų027.1 Ų27.10%016%0.157CC..EExtended strand (participates in β ladder)trans-102.6108.3176.3-172.80000107.9L28 E33 L34 F36 L46 A53 I55 L60 V74 V84L28-V76 WeakPolarHBondContact CD2-O 3.44Å; E33-V76 CarbonylContact C-O 3.56Å; E33-V76 WeakPolarHBondContact CA-O 3.27Å; E33-V76 WeakPolarHBondContact CB-O 3.2Å; L34-V76 HydrophobicContact CB-CB 4.32Å; L34-V76 PolarHBondContact N-O 2.84Å; L34-V76 PolarHBondContact O-N 2.82Å; F36-V76 HydrophobicContact CE1-CG2 3.98Å; L46-V76 HydrophobicContact CD1-CG2 4.08Å; L46-V76 HydrophobicContact CD2-CG2 3.59Å; A53-V76 HydrophobicContact CB-CG1 3.87Å; I55-V76 HydrophobicContact CD1-CG2 4.04Å; I55-V76 HydrophobicContact CG1-CB 4.46Å; I55-V76 HydrophobicContact CG1-CG2 4Å; L60-V76 HydrophobicContact CD1-CG1 3.77Å; V74-V76 HydrophobicContact CG1-CG2 4.28Å; V76-V84 HydrophobicContact CG1-CG1 4.3Å
77F98.5Very high95.7Very high4 Ų427.7 Ų27.72%0.01816%0.161CC..EExtended strand (participates in β ladder)trans-102.7151.5-175.8-179-91.5000111.6E31 T32 E33 A53 E54 W79 T99 M101E31-F77 HydrophobicContact CB-CZ 4.39Å; E31-F77 HydrophobicContact CG-CZ 4.5Å; T32-F77 WeakPolarHBondContact O-CD2 3.38Å; E33-F77 HydrophobicContact CB-CB 4.07Å; E33-F77 HydrophobicContact CB-CD2 3.99Å; A53-F77 CarbonylContact C-O 3.58Å; A53-F77 VanDerWaalsContact CA-O 3.26Å; A53-F77 WeakPolarHBondContact CA-O 3.38Å; E54-F77 HydrophobicContact CG-CB 4.47Å; E54-F77 HydrophobicContact CG-CD1 4.42Å; E54-F77 PolarHBondContact N-O 3.29Å; E54-F77 PolarHBondContact O-N 3.04Å; F77-W79 HydrophobicContact CD1-CD2 4.44Å; F77-W79 AromaticContact CE1-CD1 3.98Å; F77-W79 AromaticContact CE1-CD2 3.48Å; F77-W79 HydrophobicContact CE1-CD2 3.48Å; F77-W79 VanDerWaalsContact CE1-CD2 3.48Å; F77-W79 AromaticContact CE1-CE2 3.44Å; F77-W79 VanDerWaalsContact CE1-CE2 3.44Å; F77-W79 AromaticContact CE1-CE3 3.8Å; F77-W79 HydrophobicContact CE1-CE3 3.8Å; F77-W79 AromaticContact CE1-CG 3.84Å; F77-W79 HydrophobicContact CE1-CG 3.84Å; F77-W79 HydrophobicContact CE1-CH2 4.08Å; F77-W79 AromaticContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ3 4.08Å; F77-W79 AromaticContact CE1-NE1 3.74Å; F77-W79 HydrophobicContact CZ-CD2 4.21Å; F77-W79 HydrophobicContact CZ-CE3 4.06Å; F77-W79 HydrophobicContact CZ-CH2 4.2Å; F77-W79 HydrophobicContact CZ-CZ2 4.33Å; F77-W79 HydrophobicContact CZ-CZ3 4.05Å; F77-T99 HydrophobicContact CD2-CG2 4.45Å; F77-T99 HydrophobicContact CE2-CG2 4.39Å; F77-M101 HydrophobicContact CB-CE 4.22Å; F77-M101 HydrophobicContact CD1-CE 3.56Å; F77-M101 HydrophobicContact CD1-CG 4.31Å; F77-M101 HydrophobicContact CD2-CB 4.17Å; F77-M101 HydrophobicContact CD2-CE 4.4Å; F77-M101 HydrophobicContact CD2-CG 3.56Å; F77-M101 HydrophobicContact CE1-CB 4.2Å; F77-M101 HydrophobicContact CE1-CE 4Å; F77-M101 HydrophobicContact CE1-CG 4.34Å; F77-M101 HydrophobicContact CE2-CB 3.66Å; F77-M101 HydrophobicContact CE2-CG 3.59Å; F77-M101 HydrophobicContact CG-CE 3.79Å; F77-M101 HydrophobicContact CG-CG 3.93Å; F77-M101 HydrophobicContact CZ-CB 3.68Å; F77-M101 HydrophobicContact CZ-CG 3.99Å
78T98.6Very high95.6Very high1 Ų127 Ų271%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-134.2132.1172-178.10000113.6L28 E29 E31 T32 M52 H80 G81L28-T78 HydrophobicContact CB-CG2 3.68Å; L28-T78 HydrophobicContact CD2-CG2 4.22Å; E29-T78 VanDerWaalsContact O-CG2 3.28Å; E29-T78 WeakPolarHBondContact O-CG2 3.3Å; E31-T78 WeakPolarHBondContact CA-O 3.34Å; E31-T78 PolarHBondContact N-O 3.34Å; T32-T78 PolarHBondContact O-N 3.29Å; M52-T78 VanDerWaalsContact O-CB 3.25Å; M52-T78 WeakPolarHBondContact O-CB 3.39Å; M52-T78 PolarHBondContact O-OG1 2.91Å; T78-H80 PolarHBondContact OG1-N 2.9Å; T78-G81 WeakPolarHBondContact OG1-CA 3.49Å; T78-G81 PolarHBondContact OG1-N 3.24Å; T78-G81 PolarHBondContact OG1-O 3.48Å
79W97.9Very high95.4Very high46 Ų4633.2 Ų33.217%0.17418%0.182CC..SBendtrans-81.2-14172.7-69.4105.2000114R30 E31 E54 F77 M101 L102 L105R30-W79 WeakPolarHBondContact CD-O 3.39Å; R30-W79 VanDerWaalsContact CG-O 3.26Å; R30-W79 WeakPolarHBondContact CG-O 3.42Å; E31-W79 HydrophobicContact CG-CE3 4.27Å; E31-W79 HydrophobicContact CG-CZ3 4.42Å; E54-W79 PolarHBondContact OE1-NE1 3.03Å; F77-W79 HydrophobicContact CD1-CD2 4.44Å; F77-W79 AromaticContact CE1-CD1 3.98Å; F77-W79 AromaticContact CE1-CD2 3.48Å; F77-W79 HydrophobicContact CE1-CD2 3.48Å; F77-W79 VanDerWaalsContact CE1-CD2 3.48Å; F77-W79 AromaticContact CE1-CE2 3.44Å; F77-W79 VanDerWaalsContact CE1-CE2 3.44Å; F77-W79 AromaticContact CE1-CE3 3.8Å; F77-W79 HydrophobicContact CE1-CE3 3.8Å; F77-W79 AromaticContact CE1-CG 3.84Å; F77-W79 HydrophobicContact CE1-CG 3.84Å; F77-W79 HydrophobicContact CE1-CH2 4.08Å; F77-W79 AromaticContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ2 3.77Å; F77-W79 HydrophobicContact CE1-CZ3 4.08Å; F77-W79 AromaticContact CE1-NE1 3.74Å; F77-W79 HydrophobicContact CZ-CD2 4.21Å; F77-W79 HydrophobicContact CZ-CE3 4.06Å; F77-W79 HydrophobicContact CZ-CH2 4.2Å; F77-W79 HydrophobicContact CZ-CZ2 4.33Å; F77-W79 HydrophobicContact CZ-CZ3 4.05Å; W79-M101 HydrophobicContact CH2-CB 4.07Å; W79-M101 HydrophobicContact CZ2-CB 4.34Å; W79-M101 HydrophobicContact CZ2-CE 4.07Å; W79-L102 HydrophobicContact CH2-CD2 4.24Å; W79-L102 HydrophobicContact CZ3-CD2 3.73Å; W79-L102 HydrophobicContact CZ3-CG 4.29Å; W79-L105 HydrophobicContact CH2-CB 3.87Å; W79-L105 HydrophobicContact CH2-CD2 3.58Å; W79-L105 HydrophobicContact CH2-CG 4.32Å; W79-L105 HydrophobicContact CZ2-CB 4.06Å; W79-L105 HydrophobicContact CZ2-CD2 3.85Å; W79-L105 HydrophobicContact CZ2-CG 4.4Å; W79-L105 HydrophobicContact CZ3-CD2 3.97Å
80H97.5Very high95.4Very high130 Ų13031.6 Ų31.660%0.60218%0.175SC*.SBendtrans-135.1-10.5-168.6-60.7-65.8000114.1M52 T78M52-H80 HydrophobicContact CE-CB 4.09Å; M52-H80 WeakPolarHBondContact CE-CD2 3.47Å; T78-H80 PolarHBondContact OG1-N 2.9Å
81G97.9Very high95.5Very high19 Ų1935.4 Ų35.420%0.19618%0.184CC..  trans99.1142.9-170.100000111.6L28 T78L28-G81 WeakPolarHBondContact O-CA 3.35Å; T78-G81 WeakPolarHBondContact OG1-CA 3.49Å; T78-G81 PolarHBondContact OG1-N 3.24Å; T78-G81 PolarHBondContact OG1-O 3.48Å
82C98.5Very high95.8Very high7 Ų737 Ų375%0.04719%0.189CC..EExtended strand (participates in β ladder)trans-157.3168.9179.169.50000112.1L28 L48 T50 A53L28-C82 PolarHBondContact N-O 2.77Å; L28-C82 PolarHBondContact O-N 2.95Å; L48-C82 HydrophobicContact CD1-CB 3.83Å; T50-C82 WeakPolarHBondContact O-CA 3.36Å; T50-C82 VanDerWaalsContact O-CB 3.26Å; T50-C82 WeakPolarHBondContact O-CB 3.39Å; A53-C82 HydrophobicContact CB-CB 4.29Å
83S98.4Very high96.1Very high0 Ų037.4 Ų37.40%019%0.192CC..EExtended strand (participates in β ladder)trans-122125.3171.2-161.20000109.2K25 F26 E27 L49 T50K25-S83 WeakPolarHBondContact CE-OG 3.47Å; F26-S83 WeakPolarHBondContact O-CA 3.48Å; E27-S83 PolarHBondContact OE1-OG 3.48Å; E27-S83 WeakPolarHBondContact OE2-CB 3.46Å; E27-S83 PolarHBondContact OE2-OG 2.9Å; L49-S83 WeakPolarHBondContact CB-O 3.24Å; L49-S83 PolarHBondContact N-O 3.37Å; T50-S83 PolarHBondContact N-O 3.32Å; T50-S83 PolarHBondContact O-N 2.94Å; T50-S83 WeakPolarHBondContact OG1-CB 3.28Å
84V98.2Very high96.2Very high0 Ų039.2 Ų39.20%020%0.198CC..EExtended strand (participates in β ladder)trans-126150.7-179.3-59.50000111.1K25 F26 L28 L34 L46 E47 L48 V76K25-V84 WeakPolarHBondContact CA-O 3.21Å; F26-V84 HydrophobicContact CB-CG2 3.94Å; F26-V84 PolarHBondContact N-O 2.79Å; F26-V84 PolarHBondContact O-N 3.41Å; L28-V84 HydrophobicContact CD1-CG2 3.83Å; L34-V84 HydrophobicContact CD2-CG2 3.52Å; L46-V84 HydrophobicContact CD1-CB 4.01Å; L46-V84 HydrophobicContact CD1-CG2 4.36Å; E47-V84 CarbonylContact O-C 3.52Å; E47-V84 VanDerWaalsContact O-CA 3.3Å; E47-V84 WeakPolarHBondContact O-CA 3.4Å; L48-V84 HydrophobicContact CD1-CG1 3.87Å; V76-V84 HydrophobicContact CG1-CG1 4.3Å
85Q98.1Very high96.3Very high47 Ų4741.5 Ų41.522%0.2221%0.212CC..EExtended strand (participates in β ladder)trans-119132176.4-174.1174.514.400109.8T24 L46 E47 L49T24-Q85 WeakPolarHBondContact O-CA 3.49Å; L46-Q85 CarbonylContact C-O 3.59Å; L46-Q85 WeakPolarHBondContact CA-O 3.46Å; E47-Q85 PolarHBondContact N-O 2.92Å; E47-Q85 PolarHBondContact O-N 3.34Å; L49-Q85 HydrophobicContact CD1-CB 4.07Å; L49-Q85 HydrophobicContact CD2-CB 4.31Å; L49-Q85 HydrophobicContact CG-CB 4.22Å
86L97.6Very high96.3Very high4 Ų441.6 Ų41.62%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-103134.9166.2-63.6-175000109.1T23 T24 F26 L34 F36 V44 Q45 L46 T90 A93T23-L86 CarbonylContact C-O 3.44Å; T23-L86 VanDerWaalsContact CA-O 3.23Å; T23-L86 WeakPolarHBondContact CA-O 3.48Å; T24-L86 PolarHBondContact N-O 2.88Å; T24-L86 PolarHBondContact O-N 2.83Å; F26-L86 HydrophobicContact CD2-CD1 4.44Å; F26-L86 HydrophobicContact CD2-CG 4.33Å; F26-L86 HydrophobicContact CE2-CB 4.31Å; F26-L86 HydrophobicContact CE2-CD1 3.79Å; F26-L86 HydrophobicContact CE2-CG 4Å; F26-L86 HydrophobicContact CZ-CD1 4.47Å; L34-L86 HydrophobicContact CD2-CD1 4.08Å; L34-L86 HydrophobicContact CD2-CG 4.22Å; F36-L86 HydrophobicContact CB-CD1 4Å; F36-L86 HydrophobicContact CD1-CD1 4.03Å; F36-L86 HydrophobicContact CD1-CD2 4.18Å; F36-L86 HydrophobicContact CD2-CD1 4.39Å; F36-L86 HydrophobicContact CE1-CD2 3.95Å; F36-L86 HydrophobicContact CE2-CD2 4.49Å; F36-L86 HydrophobicContact CG-CD1 3.89Å; F36-L86 HydrophobicContact CZ-CD2 4.11Å; V44-L86 HydrophobicContact CG1-CB 4.19Å; V44-L86 HydrophobicContact CG1-CD2 3.93Å; V44-L86 HydrophobicContact CG1-CG 4.47Å; Q45-L86 CarbonylContact O-C 3.54Å; Q45-L86 VanDerWaalsContact O-CA 3.29Å; Q45-L86 WeakPolarHBondContact O-CA 3.45Å; L46-L86 HydrophobicContact CB-CD2 3.99Å; L46-L86 HydrophobicContact CD1-CD2 3.47Å; L46-L86 VanDerWaalsContact CD1-CD2 3.47Å; L46-L86 HydrophobicContact CG-CD2 4.33Å; L86-T90 HydrophobicContact CD1-CG2 4Å; L86-A93 HydrophobicContact CD1-CB 4.28Å
87S96.7Very high96.2Very high16 Ų1648.5 Ų48.511%0.11224%0.242CC..EExtended strand (participates in β ladder)trans-126.1116.4174.4-49.40000109.7P22 T23 V44 Q45P22-S87 WeakPolarHBondContact O-CA 3.33Å; T23-S87 WeakPolarHBondContact CG2-OG 3.36Å; V44-S87 WeakPolarHBondContact CA-O 3.47Å; Q45-S87 PolarHBondContact N-O 2.92Å; Q45-S87 PolarHBondContact O-N 2.99Å
88G93.3Very high95.9Very high11 Ų1154.4 Ų54.411%0.11327%0.273CS..SBendtrans126.1178.2-172.200000112.1P22P22-G88 PolarHBondContact O-N 2.86Å
89R90.7Very high95.8Very high147 Ų14755.6 Ų55.656%0.55528%0.281SS*.  trans-92.6123.1-178.5-65.3-176.6-178.8-178.32.6110.8P22 E39 Q42 V44P22-R89 HydrophobicContact CG-CG 4.18Å; E39-R89 WeakPolarHBondContact OE2-CB 3.49Å; Q42-R89 HydrophobicContact CG-CB 4.23Å; V44-R89 WeakPolarHBondContact CG2-O 3.41Å
90T92.4Very high95.7Very high45 Ų4554 Ų5428%0.27628%0.276SS..EExtended strand (participates in β ladder)trans-104.7139.8172.754.80000109.3F36 E37 V44 L86 V92 A93F36-T90 HydrophobicContact CB-CG2 4.28Å; F36-T90 HydrophobicContact CD2-CG2 4.29Å; E37-T90 CarbonylContact O-C 3.37Å; E37-T90 VanDerWaalsContact O-CA 3.31Å; E37-T90 WeakPolarHBondContact O-CA 3.43Å; E37-T90 WeakPolarHBondContact O-CB 3.19Å; V44-T90 HydrophobicContact CG1-CG2 4.18Å; V44-T90 HydrophobicContact CG2-CG2 3.79Å; L86-T90 HydrophobicContact CD1-CG2 4Å; T90-V92 VanDerWaalsContact C-N 3.35Å; T90-A93 HydrophobicContact CG2-CB 4.36Å
91E90.5Very high95.7Very high131 Ų13148.3 Ų48.361%0.61225%0.25SS*.EExtended strand (participates in β ladder)trans-66.4-43.6170.6-174.3177.8171.700110.2E37 E39E37-E91 HydrophobicContact CB-CB 4.42Å; E37-E91 PolarHBondContact O-N 3.14Å; E39-E91 HydrophobicContact CB-CB 4.38Å
92V92.6Very high95.6Very high59 Ų5951.5 Ų51.536%0.35826%0.262SS..EExtended strand (participates in β ladder)trans-142.8139.3177.5171.90000108.8F36 E37 T90 Y94F36-V92 CarbonylContact C-O 3.56Å; F36-V92 WeakPolarHBondContact CA-O 3.38Å; F36-V92 WeakPolarHBondContact CB-O 3.5Å; E37-V92 PolarHBondContact N-O 3Å; T90-V92 VanDerWaalsContact C-N 3.35Å; V92-Y94 HydrophobicContact CG1-CD1 3.44Å; V92-Y94 VanDerWaalsContact CG1-CD1 3.44Å; V92-Y94 HydrophobicContact CG1-CE1 3.62Å
93A96.1Very high95.6Very high34 Ų3454.8 Ų54.828%0.28128%0.279SS..EExtended strand (participates in β ladder)trans-147.8120.9169.900000110.5F26 R35 F36 L86 T90F26-A93 HydrophobicContact CZ-CB 3.88Å; R35-A93 CarbonylContact O-C 3.52Å; R35-A93 VanDerWaalsContact O-CA 3.31Å; R35-A93 WeakPolarHBondContact O-CA 3.11Å; F36-A93 HydrophobicContact CB-CB 3.96Å; L86-A93 HydrophobicContact CD1-CB 4.28Å; T90-A93 HydrophobicContact CG2-CB 4.36Å
94Y96.4Very high95.6Very high96 Ų9655.4 Ų55.438%0.37628%0.281SS..EExtended strand (participates in β ladder)trans-153.3153.7-179.965.3-84.4000112.5R35 V92R35-Y94 HydrophobicContact CB-CE1 4.05Å; R35-Y94 HydrophobicContact CB-CE2 4.28Å; R35-Y94 VanDerWaalsContact CD-OH 3.26Å; R35-Y94 WeakPolarHBondContact CD-OH 3.26Å; R35-Y94 HydrophobicContact CG-CE2 4.48Å; R35-Y94 PolarHBondContact N-O 3.46Å; R35-Y94 PolarHBondContact O-N 3.29Å; V92-Y94 HydrophobicContact CG1-CD1 3.44Å; V92-Y94 VanDerWaalsContact CG1-CD1 3.44Å; V92-Y94 HydrophobicContact CG1-CE1 3.62Å
95V97.7Very high95.5Very high60 Ų6058 Ų5836%0.36430%0.295SS..EExtended strand (participates in β ladder)trans-90.8133.3174.7-179.70000109.6F26 L28 E33 L34F26-V95 HydrophobicContact CD1-CG2 4.19Å; L28-V95 HydrophobicContact CD1-CG2 4.41Å; L28-V95 HydrophobicContact CG-CG2 4.5Å; E33-V95 CarbonylContact O-C 3.55Å; E33-V95 WeakPolarHBondContact O-CA 2.87Å; L34-V95 HydrophobicContact CD1-CG2 4.3Å
96S96.5Very high95.5Very high16 Ų1660.4 Ų60.411%0.11231%0.309CS..EExtended strand (participates in β ladder)trans-120.2135.6176.6-167.40000111.1T32 E33 R35 D98T32-S96 WeakPolarHBondContact CA-O 3.11Å; T32-S96 WeakPolarHBondContact CB-O 3.36Å; E33-S96 PolarHBondContact N-O 2.9Å; E33-S96 PolarHBondContact O-N 3.48Å; R35-S96 PolarHBondContact NH1-OG 3.47Å; R35-S96 PolarHBondContact NH2-OG 2.9Å; S96-D98 PolarHBondContact OG-N 2.97Å
97K95.3Very high95.6Very high145 Ų14561.1 Ų61.163%0.6331%0.314SS*.SBendtrans-93-20.9171-55-166169.6-168.60112.3E29 T32 T99E29-K97 WeakPolarHBondContact OE2-CE 3.36Å; E29-K97 IonicContact OE2-NZ 2.85Å; E29-K97 PolarHBondContact OE2-NZ 3.39Å; T32-K97 HydrophobicContact CG2-CB 4.37Å; T32-K97 HydrophobicContact CG2-CD 4.47Å; T32-K97 HydrophobicContact CG2-CG 3.79Å; K97-T99 PolarHBondContact O-N 2.87Å
98D93.6Very high95.7Very high128 Ų12860.8 Ų60.868%0.68431%0.31SS*.  trans-87.895.6-177.7-175.124.6000109.7R35 S96R35-D98 PolarHBondContact NH2-O 3.5Å; S96-D98 PolarHBondContact OG-N 2.97Å
99T94.9Very high95.9Very high27 Ų2763.2 Ų63.217%0.16632%0.323CS..  trans-135.2141.6-17882.40000110.9E33 F77 K97 M101E33-T99 HydrophobicContact CB-CG2 4.43Å; E33-T99 VanDerWaalsContact CD-CG2 3.47Å; E33-T99 HydrophobicContact CG-CG2 3.57Å; F77-T99 HydrophobicContact CD2-CG2 4.45Å; F77-T99 HydrophobicContact CE2-CG2 4.39Å; K97-T99 PolarHBondContact O-N 2.87Å; T99-M101 PolarHBondContact O-N 3.32Å
100P96.4Very high96.3Very high12 Ų1258.3 Ų58.38%0.07831%0.314CS..  trans-80.915.2173.232.1-35.5000113.7L102 L103 Y104 P291P100-L102 VanDerWaalsContact C-N 3.32Å; P100-L102 PolarHBondContact O-N 3.1Å; P100-L103 WeakPolarHBondContact O-CB 3.26Å; P100-L103 PolarHBondContact O-N 3.23Å; P100-Y104 HydrophobicContact CB-CE1 4.07Å; P100-Y104 HydrophobicContact CB-CE2 4.1Å; P100-Y104 HydrophobicContact CG-CD2 4.4Å; P100-Y104 HydrophobicContact CG-CE1 4.19Å; P100-Y104 HydrophobicContact CG-CE2 3.52Å; P100-Y104 VanDerWaalsContact CG-OH 3.23Å; P100-Y104 WeakPolarHBondContact CG-OH 3.3Å; P100-Y104 PolarHBondContact O-N 3.04Å; P100-Y104 VanDerWaalsContact O-N 3.08Å; P100-P291 HydrophobicContact CB-CG 4.02Å
101M97.2Very high96.6Very high11 Ų1156.3 Ų56.35%0.05430%0.302CS..Hα-helixtrans-60.4-36.5-171.7-77.3-66.3-73.400113.6E54 F77 W79 T99 L103 Y104 L105 L144 Y148E54-M101 WeakPolarHBondContact OE1-CE 3.4Å; F77-M101 HydrophobicContact CB-CE 4.22Å; F77-M101 HydrophobicContact CD1-CE 3.56Å; F77-M101 HydrophobicContact CD1-CG 4.31Å; F77-M101 HydrophobicContact CD2-CB 4.17Å; F77-M101 HydrophobicContact CD2-CE 4.4Å; F77-M101 HydrophobicContact CD2-CG 3.56Å; F77-M101 HydrophobicContact CE1-CB 4.2Å; F77-M101 HydrophobicContact CE1-CE 4Å; F77-M101 HydrophobicContact CE1-CG 4.34Å; F77-M101 HydrophobicContact CE2-CB 3.66Å; F77-M101 HydrophobicContact CE2-CG 3.59Å; F77-M101 HydrophobicContact CG-CE 3.79Å; F77-M101 HydrophobicContact CG-CG 3.93Å; F77-M101 HydrophobicContact CZ-CB 3.68Å; F77-M101 HydrophobicContact CZ-CG 3.99Å; W79-M101 HydrophobicContact CH2-CB 4.07Å; W79-M101 HydrophobicContact CZ2-CB 4.34Å; W79-M101 HydrophobicContact CZ2-CE 4.07Å; T99-M101 PolarHBondContact O-N 3.32Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 3.5Å; M101-Y104 PolarHBondContact O-N 3.37Å; M101-Y104 HydrophobicContact SD-CD2 3.95Å; M101-L105 WeakPolarHBondContact O-CB 3.49Å; M101-L105 PolarHBondContact O-N 2.98Å; M101-L144 HydrophobicContact CE-CD1 3.82Å; M101-L144 HydrophobicContact SD-CD1 3.53Å; M101-L144 VanDerWaalsContact SD-CD1 3.53Å; M101-Y148 VanDerWaalsContact CE-OH 3.3Å; M101-Y148 WeakPolarHBondContact CE-OH 3.37Å
102L96.9Very high97Very high85 Ų8550.6 Ų50.645%0.44528%0.275SS..Hα-helixtrans-62.4-39.1173.8-76170.1000112.2W79 P100 L105 N106W79-L102 HydrophobicContact CH2-CD2 4.24Å; W79-L102 HydrophobicContact CZ3-CD2 3.73Å; W79-L102 HydrophobicContact CZ3-CG 4.29Å; P100-L102 VanDerWaalsContact C-N 3.32Å; P100-L102 PolarHBondContact O-N 3.1Å; L102-L105 PolarHBondContact O-N 2.95Å; L102-N106 WeakPolarHBondContact O-CB 3.46Å; L102-N106 PolarHBondContact O-N 3.47Å; L102-N106 PolarHBondContact O-ND2 3.18Å
103L97.8Very high97.3Very high76 Ų7653.9 Ų53.940%0.39829%0.286SS..Hα-helixtrans-68.1-38.6177.1-61.2175.3000111.2P100 M101 N106 T107 L290 P291P100-L103 WeakPolarHBondContact O-CB 3.26Å; P100-L103 PolarHBondContact O-N 3.23Å; M101-L103 VanDerWaalsContact C-N 3.33Å; M101-L103 PolarHBondContact O-N 3.5Å; L103-N106 PolarHBondContact O-N 3.45Å; L103-T107 WeakPolarHBondContact O-CB 3.49Å; L103-T107 PolarHBondContact O-N 3.23Å; L103-T107 PolarHBondContact O-OG1 3.29Å; L103-L290 HydrophobicContact CB-CD2 4.15Å; L103-P291 HydrophobicContact CD1-CG 3.69Å
104Y97.8Very high97.4Very high14 Ų1454.2 Ų54.26%0.05528%0.282CS..Hα-helixtrans-66.2-41.4174.9-58.1-24.1000112P100 M101 T107 H108 V141 L144 L290 P291P100-Y104 HydrophobicContact CB-CE1 4.07Å; P100-Y104 HydrophobicContact CB-CE2 4.1Å; P100-Y104 HydrophobicContact CG-CD2 4.4Å; P100-Y104 HydrophobicContact CG-CE1 4.19Å; P100-Y104 HydrophobicContact CG-CE2 3.52Å; P100-Y104 VanDerWaalsContact CG-OH 3.23Å; P100-Y104 WeakPolarHBondContact CG-OH 3.3Å; P100-Y104 PolarHBondContact O-N 3.04Å; P100-Y104 VanDerWaalsContact O-N 3.08Å; M101-Y104 PolarHBondContact O-N 3.37Å; M101-Y104 HydrophobicContact SD-CD2 3.95Å; Y104-T107 WeakPolarHBondContact O-CB 3.31Å; Y104-T107 PolarHBondContact O-N 3.01Å; Y104-H108 PolarHBondContact O-N 2.92Å; Y104-V141 HydrophobicContact CD1-CG2 4.45Å; Y104-V141 HydrophobicContact CE1-CG2 3.86Å; Y104-V141 HydrophobicContact CE2-CG2 4.17Å; Y104-L144 HydrophobicContact CD2-CD1 4.04Å; Y104-L290 HydrophobicContact CD1-CD1 3.93Å; Y104-L290 HydrophobicContact CE1-CB 4.44Å; Y104-L290 HydrophobicContact CE1-CD1 4.04Å; Y104-P291 PolarHBondContact OH-O 3.44Å
105L97.9Very high97.5Very high53 Ų5349.6 Ų49.628%0.27727%0.265SS..Hα-helixtrans-64.4-43.1175.2-179.262.6000111.9W79 M101 L102 T107 H108 T109 Y148W79-L105 HydrophobicContact CH2-CB 3.87Å; W79-L105 HydrophobicContact CH2-CD2 3.58Å; W79-L105 HydrophobicContact CH2-CG 4.32Å; W79-L105 HydrophobicContact CZ2-CB 4.06Å; W79-L105 HydrophobicContact CZ2-CD2 3.85Å; W79-L105 HydrophobicContact CZ2-CG 4.4Å; W79-L105 HydrophobicContact CZ3-CD2 3.97Å; M101-L105 WeakPolarHBondContact O-CB 3.49Å; M101-L105 PolarHBondContact O-N 2.98Å; L102-L105 PolarHBondContact O-N 2.95Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.43Å; L105-H108 PolarHBondContact O-N 3.26Å; L105-T109 WeakPolarHBondContact O-CB 3.48Å; L105-T109 PolarHBondContact O-N 3.1Å; L105-T109 PolarHBondContact O-OG1 3.5Å; L105-Y148 HydrophobicContact CD1-CD2 4.46Å; L105-Y148 HydrophobicContact CD1-CE2 4.07Å
106N98.2Very high97.5Very high98 Ų9854.1 Ų54.152%0.52428%0.275SS..Hα-helixtrans-62.2-42.5175.7-72.6-17000111.4L102 L103 T109 A110L102-N106 WeakPolarHBondContact O-CB 3.46Å; L102-N106 PolarHBondContact O-N 3.47Å; L102-N106 PolarHBondContact O-ND2 3.18Å; L103-N106 PolarHBondContact O-N 3.45Å; N106-T109 PolarHBondContact O-N 3.22Å; N106-A110 PolarHBondContact O-N 3.13Å
107T98.4Very high97.6Very high19 Ų1957.4 Ų57.412%0.11729%0.289CS..Hα-helixtrans-59.4-50174.6-57.80000110.5L103 Y104 L105 T109 A110 L111 L145 V266L103-T107 WeakPolarHBondContact O-CB 3.49Å; L103-T107 PolarHBondContact O-N 3.23Å; L103-T107 PolarHBondContact O-OG1 3.29Å; Y104-T107 WeakPolarHBondContact O-CB 3.31Å; Y104-T107 PolarHBondContact O-N 3.01Å; L105-T107 VanDerWaalsContact C-N 3.33Å; L105-T107 PolarHBondContact O-N 3.43Å; T107-T109 VanDerWaalsContact C-N 3.33Å; T107-T109 PolarHBondContact O-N 3.38Å; T107-A110 PolarHBondContact O-N 3Å; T107-L111 HydrophobicContact CG2-CD1 4.33Å; T107-L111 VanDerWaalsContact O-CG 3.31Å; T107-L111 WeakPolarHBondContact O-CG 3.23Å; T107-L111 PolarHBondContact O-N 2.64Å; T107-L145 HydrophobicContact CG2-CD2 4.36Å; T107-V266 HydrophobicContact CG2-CG2 4.39Å
108H98.5Very high97.6Very high9 Ų950.8 Ų50.84%0.04226%0.261CS..Hα-helixtrans-58.3-43.9176.2171.972.1000112.6Y104 L105 A110 L111 E112 L145 Y148 A149 L152Y104-H108 PolarHBondContact O-N 2.92Å; L105-H108 PolarHBondContact O-N 3.26Å; H108-A110 VanDerWaalsContact C-N 3.34Å; H108-A110 PolarHBondContact O-N 2.9Å; H108-L111 WeakPolarHBondContact O-CB 3.41Å; H108-L111 PolarHBondContact O-N 2.85Å; H108-E112 PolarHBondContact O-N 3.2Å; H108-L145 HydrophobicContact CB-CD2 3.96Å; H108-Y148 HydrophobicContact CB-CD2 3.83Å; H108-Y148 VanDerWaalsContact CE1-CB 3.43Å; H108-Y148 WeakPolarHBondContact CE1-CB 3.32Å; H108-Y148 AromaticContact CG-CD2 3.73Å; H108-Y148 WeakPolarHBondContact ND1-CB 3.4Å; H108-A149 PolarHBondContact CE1-N 2.86Å; H108-A149 VanDerWaalsContact CE1-N 3.31Å; H108-L152 VanDerWaalsContact NE2-CD1 3.34Å; H108-L152 WeakPolarHBondContact NE2-CD1 3.45Å
109T98.5Very high97.8Very high63 Ų6349.7 Ų49.739%0.38725%0.251SS..Hα-helixtrans-61.4-42.8179.6-58.40000111.4L105 N106 T107 E112 Q113L105-T109 WeakPolarHBondContact O-CB 3.48Å; L105-T109 PolarHBondContact O-N 3.1Å; L105-T109 PolarHBondContact O-OG1 3.5Å; N106-T109 PolarHBondContact O-N 3.22Å; T107-T109 VanDerWaalsContact C-N 3.33Å; T107-T109 PolarHBondContact O-N 3.38Å; T109-E112 PolarHBondContact O-N 3.33Å; T109-Q113 WeakPolarHBondContact O-CG 3.4Å; T109-Q113 PolarHBondContact O-N 3.05Å
110A98.6Very high97.9Very high43 Ų4356.5 Ų56.536%0.35528%0.279SS..Hα-helixtrans-63.5-40.9174.800000112N106 T107 H108 E112 Q113 M114N106-A110 PolarHBondContact O-N 3.13Å; T107-A110 PolarHBondContact O-N 3Å; H108-A110 VanDerWaalsContact C-N 3.34Å; H108-A110 PolarHBondContact O-N 2.9Å; A110-E112 VanDerWaalsContact C-N 3.35Å; A110-Q113 WeakPolarHBondContact O-CB 3.34Å; A110-Q113 PolarHBondContact O-N 3.38Å; A110-M114 WeakPolarHBondContact O-CG 3.35Å; A110-M114 PolarHBondContact O-N 3.17Å; A110-M114 VanDerWaalsContact O-N 3.08Å
111L98.7Very high97.9Very high4 Ų460.6 Ų60.62%0.02130%0.297CS..Hα-helixtrans-64.4-39175.2-65.5173.2000112T107 H108 M114 R115 P126 V128 L145 V264T107-L111 HydrophobicContact CG2-CD1 4.33Å; T107-L111 VanDerWaalsContact O-CG 3.31Å; T107-L111 WeakPolarHBondContact O-CG 3.23Å; T107-L111 PolarHBondContact O-N 2.64Å; H108-L111 WeakPolarHBondContact O-CB 3.41Å; H108-L111 PolarHBondContact O-N 2.85Å; L111-M114 HydrophobicContact CD2-SD 4.22Å; L111-M114 WeakPolarHBondContact O-CB 3.43Å; L111-M114 PolarHBondContact O-N 2.88Å; L111-R115 WeakPolarHBondContact O-CG 3.48Å; L111-R115 PolarHBondContact O-N 3.24Å; L111-P126 HydrophobicContact CB-CG 4.49Å; L111-P126 HydrophobicContact CD2-CB 4.09Å; L111-P126 HydrophobicContact CD2-CG 4.26Å; L111-V128 HydrophobicContact CD1-CG1 4.47Å; L111-V128 HydrophobicContact CD1-CG2 3.8Å; L111-V128 HydrophobicContact CD2-CG2 3.38Å; L111-V128 HydrophobicContact CG-CG2 4.22Å; L111-L145 HydrophobicContact CD1-CD1 4.45Å; L111-L145 HydrophobicContact CD1-CD2 4.36Å; L111-V264 HydrophobicContact CD2-CB 4.44Å; L111-V264 HydrophobicContact CD2-CG2 3.97Å
112E98.7Very high97.7Very high11 Ų1167.9 Ų67.95%0.05133%0.331CS..Hα-helixtrans-65.9-37175174.756-159.200112.2H108 T109 A110 M114 R115 R116 L152 R154H108-E112 PolarHBondContact O-N 3.2Å; T109-E112 PolarHBondContact O-N 3.33Å; A110-E112 VanDerWaalsContact C-N 3.35Å; E112-M114 VanDerWaalsContact C-N 3.32Å; E112-M114 PolarHBondContact O-N 3.25Å; E112-R115 PolarHBondContact O-N 3.45Å; E112-R115 IonicContact OE2-NH1 3.87Å; E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 3.37Å; E112-R116 WeakPolarHBondContact OE1-CG 3.44Å; E112-R116 IonicContact OE1-CZ 3.89Å; E112-R116 IonicContact OE1-NE 2.97Å; E112-R116 PolarHBondContact OE1-NE 2.95Å; E112-R116 IonicContact OE1-NH2 3.52Å; E112-L152 HydrophobicContact CB-CD1 4.32Å; E112-L152 HydrophobicContact CG-CD1 3.8Å; E112-R154 IonicContact OE1-CZ 3.52Å; E112-R154 IonicContact OE1-NE 2.77Å; E112-R154 PolarHBondContact OE1-NE 3.33Å; E112-R154 IonicContact OE1-NH2 3.3Å; E112-R154 PolarHBondContact OE1-NH2 2.68Å; E112-R154 IonicContact OE2-CZ 3.49Å; E112-R154 IonicContact OE2-NE 3.38Å; E112-R154 PolarHBondContact OE2-NE 3.45Å; E112-R154 IonicContact OE2-NH2 2.79Å
113Q98.5Very high97.7Very high127 Ų12769.4 Ų69.459%0.59334%0.336SS*.Hα-helixtrans-60.4-43171.5-70.6171.6-4.100111.6T109 A110 R115 R116 Q117T109-Q113 WeakPolarHBondContact O-CG 3.4Å; T109-Q113 PolarHBondContact O-N 3.05Å; A110-Q113 WeakPolarHBondContact O-CB 3.34Å; A110-Q113 PolarHBondContact O-N 3.38Å; Q113-R115 VanDerWaalsContact C-N 3.34Å; Q113-R115 PolarHBondContact O-N 3.47Å; Q113-R116 PolarHBondContact O-N 2.68Å; Q113-Q117 WeakPolarHBondContact O-CB 3.46Å; Q113-Q117 PolarHBondContact O-N 3.26Å
114M98.4Very high97.6Very high41 Ų4170 Ų7020%0.20233%0.332CS..Hα-helixtrans-60.6-42174-66.2173.373.800111.7A110 L111 E112 Q117 A118 P126 D263 V264A110-M114 WeakPolarHBondContact O-CG 3.35Å; A110-M114 PolarHBondContact O-N 3.17Å; A110-M114 VanDerWaalsContact O-N 3.08Å; L111-M114 HydrophobicContact CD2-SD 4.22Å; L111-M114 WeakPolarHBondContact O-CB 3.43Å; L111-M114 PolarHBondContact O-N 2.88Å; E112-M114 VanDerWaalsContact C-N 3.32Å; E112-M114 PolarHBondContact O-N 3.25Å; M114-Q117 PolarHBondContact O-N 3.21Å; M114-A118 WeakPolarHBondContact O-CB 3.3Å; M114-A118 PolarHBondContact O-N 3.31Å; M114-P126 HydrophobicContact CB-CB 4.14Å; M114-P126 HydrophobicContact CB-CG 4.05Å; M114-P126 HydrophobicContact CE-CB 3.75Å; M114-P126 HydrophobicContact SD-CB 4.05Å; M114-D263 HydrophobicContact CE-CB 3.94Å; M114-V264 HydrophobicContact CE-CG2 4.02Å; M114-V264 HydrophobicContact SD-CG2 3.95Å
115R98.5Very high97.7Very high0 Ų069.4 Ų69.40%033%0.331CS..Hα-helixtrans-62.4-44.7176-68.8-178-170.7107.75.3112.6L111 E112 Q113 Q117 A118 E119 P126 V234 S235L111-R115 WeakPolarHBondContact O-CG 3.48Å; L111-R115 PolarHBondContact O-N 3.24Å; E112-R115 PolarHBondContact O-N 3.45Å; E112-R115 IonicContact OE2-NH1 3.87Å; Q113-R115 VanDerWaalsContact C-N 3.34Å; Q113-R115 PolarHBondContact O-N 3.47Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 3.04Å; R115-A118 PolarHBondContact O-N 3.48Å; R115-E119 WeakPolarHBondContact O-CB 3.35Å; R115-E119 PolarHBondContact O-N 3.11Å; R115-P126 VanDerWaalsContact CG-CD 3.45Å; R115-P126 HydrophobicContact CG-CG 3.88Å; R115-V234 WeakPolarHBondContact CG-O 3.23Å; R115-S235 PolarHBondContact NE-O 3.45Å
116R98.3Very high97.7Very high155 Ų15567 Ų6759%0.58532%0.318SS*.Hα-helixtrans-63-39.3177.9-71177-177.8-164.2-2.3112E112 Q113 E119 K120E112-R116 WeakPolarHBondContact O-CG 3.46Å; E112-R116 PolarHBondContact O-N 3.37Å; E112-R116 WeakPolarHBondContact OE1-CG 3.44Å; E112-R116 IonicContact OE1-CZ 3.89Å; E112-R116 IonicContact OE1-NE 2.97Å; E112-R116 PolarHBondContact OE1-NE 2.95Å; E112-R116 IonicContact OE1-NH2 3.52Å; Q113-R116 PolarHBondContact O-N 2.68Å; R116-E119 PolarHBondContact O-N 3.42Å; R116-K120 PolarHBondContact O-N 3.41Å; R116-K120 VanDerWaalsContact O-N 3.12Å
117Q97.8Very high97.7Very high85 Ų8562.9 Ų62.940%0.39730%0.295SS..Hα-helixtrans-65.5-49.7176.1-169.964.222.300110.9Q113 M114 R115 E119 K120 E121Q113-Q117 WeakPolarHBondContact O-CB 3.46Å; Q113-Q117 PolarHBondContact O-N 3.26Å; M114-Q117 PolarHBondContact O-N 3.21Å; R115-Q117 VanDerWaalsContact C-N 3.31Å; R115-Q117 PolarHBondContact O-N 3.04Å; Q117-E119 VanDerWaalsContact C-N 3.25Å; Q117-E119 PolarHBondContact O-N 2.81Å; Q117-K120 WeakPolarHBondContact O-CB 3.47Å; Q117-K120 PolarHBondContact O-N 2.9Å; Q117-E121 WeakPolarHBondContact CG-OE2 3.49Å; Q117-E121 PolarHBondContact NE2-OE1 2.89Å; Q117-E121 PolarHBondContact NE2-OE2 2.88Å; Q117-E121 PolarHBondContact O-N 2.84Å
118A96.9Very high97.7Very high5 Ų562 Ų624%0.04129%0.29CS..Hα-helixtrans-58.9-35.717600000113.2M114 R115 E122 E123 R124 R230M114-A118 WeakPolarHBondContact O-CB 3.3Å; M114-A118 PolarHBondContact O-N 3.31Å; R115-A118 PolarHBondContact O-N 3.48Å; A118-E122 CarbonylContact O-C 3.58Å; A118-E122 PolarHBondContact O-N 3.24Å; A118-E122 VanDerWaalsContact O-N 3.14Å; A118-E123 HydrophobicContact CB-CB 4.41Å; A118-E123 PolarHBondContact O-N 3.41Å; A118-R124 WeakPolarHBondContact CB-O 3.16Å; A118-R230 PolarHBondContact O-NH2 3.19Å
119E96.2Very high97.8Very high105 Ų10561.5 Ų61.549%0.49129%0.288SS..Hα-helixtrans-63.6-43.4174.3-168.7159.8-142.600111.7R115 R116 Q117 R154 V234R115-E119 WeakPolarHBondContact O-CB 3.35Å; R115-E119 PolarHBondContact O-N 3.11Å; R116-E119 PolarHBondContact O-N 3.42Å; Q117-E119 VanDerWaalsContact C-N 3.25Å; Q117-E119 PolarHBondContact O-N 2.81Å; E119-R154 IonicContact OE1-NH1 2.72Å; E119-R154 IonicContact OE2-CZ 3.6Å; E119-R154 IonicContact OE2-NH1 3.68Å; E119-R154 PolarHBondContact OE2-NH1 2.98Å; E119-R154 IonicContact OE2-NH2 3.73Å; E119-R154 PolarHBondContact OE2-NH2 3.04Å; E119-V234 HydrophobicContact CB-CG1 3.76Å; E119-V234 HydrophobicContact CG-CG1 4.25Å
120K97.2Very high97.8Very high170 Ų17058.5 Ų58.574%0.73927%0.269SS*.Hα-helixtrans-71.1-37.4179.7-176.1-176.3175.9-171.80113.2R116 Q117 E122R116-K120 PolarHBondContact O-N 3.41Å; R116-K120 VanDerWaalsContact O-N 3.12Å; Q117-K120 WeakPolarHBondContact O-CB 3.47Å; Q117-K120 PolarHBondContact O-N 2.9Å; K120-E122 VanDerWaalsContact C-N 3.33Å
121E96.9Very high97.8Very high99 Ų9956.5 Ų56.546%0.46325%0.253SS..THydrogen-bonded Turntrans-90.84.1-177.6-67.6179.7156.400113.2Q117 E123Q117-E121 WeakPolarHBondContact CG-OE2 3.49Å; Q117-E121 PolarHBondContact NE2-OE1 2.89Å; Q117-E121 PolarHBondContact NE2-OE2 2.88Å; Q117-E121 PolarHBondContact O-N 2.84Å; E121-E123 HydrophobicContact CB-CG 3.99Å; E121-E123 PolarHBondContact O-N 3.11Å
122E93.8Very high97.7Very high164 Ų16456.3 Ų56.377%0.76625%0.252SS*.THydrogen-bonded Turntrans61.720.4-176.1-59.2-170.2168.400114.7A118 K120 R230A118-E122 CarbonylContact O-C 3.58Å; A118-E122 PolarHBondContact O-N 3.24Å; A118-E122 VanDerWaalsContact O-N 3.14Å; K120-E122 VanDerWaalsContact C-N 3.33Å; E122-R230 VanDerWaalsContact C-NH2 3.28Å; E122-R230 PolarHBondContact O-NH1 2.82Å; E122-R230 VanDerWaalsContact O-NH1 3.11Å
123E95.9Very high97.7Very high117 Ų11757.1 Ų57.155%0.54726%0.258SS..  trans-93.2175.8179.7-60.7-168.2165.300113.4A118 E121 R230A118-E123 HydrophobicContact CB-CB 4.41Å; A118-E123 PolarHBondContact O-N 3.41Å; E121-E123 HydrophobicContact CB-CG 3.99Å; E121-E123 PolarHBondContact O-N 3.11Å; E123-R230 PolarHBondContact O-NH1 2.91Å; E123-R230 PolarHBondContact O-NH2 2.73Å; E123-R230 VanDerWaalsContact O-NH2 3.16Å
124R96.8Very high97.5Very high87 Ų8754.8 Ų54.833%0.32825%0.253SS..PPolyproline II helixtrans-76153.3174.370.4170.6-167.4-113.1-3.3111.7A118 E261 D263A118-R124 WeakPolarHBondContact CB-O 3.16Å; R124-E261 IonicContact CZ-OE2 3.32Å; R124-E261 IonicContact NH1-OE2 2.93Å; R124-E261 PolarHBondContact NH1-OE2 3.43Å; R124-E261 IonicContact NH2-OE2 2.8Å; R124-D263 IonicContact NH2-OD1 3.94Å; R124-D263 PolarHBondContact NH2-OD1 3.17Å; R124-D263 VanDerWaalsContact NH2-OD1 3.13Å
125G98.1Very high97.3Very high2 Ų254.4 Ų54.42%0.02125%0.251CS..PPolyproline II helixtrans-74.9172.217300000114S233 V234G125-S233 WeakPolarHBondContact CA-O 3.33Å; G125-S233 PolarHBondContact N-O 3Å; G125-V234 WeakPolarHBondContact CA-O 3.35Å
126P98.5Very high97.2Very high2 Ų254.6 Ų54.61%0.01325%0.252CS..PPolyproline II helixtrans-69.2135.2-176.429.9-34.8000112.3L111 M114 R115 V128 G236 C237 D263L111-P126 HydrophobicContact CB-CG 4.49Å; L111-P126 HydrophobicContact CD2-CB 4.09Å; L111-P126 HydrophobicContact CD2-CG 4.26Å; M114-P126 HydrophobicContact CB-CB 4.14Å; M114-P126 HydrophobicContact CB-CG 4.05Å; M114-P126 HydrophobicContact CE-CB 3.75Å; M114-P126 HydrophobicContact SD-CB 4.05Å; R115-P126 VanDerWaalsContact CG-CD 3.45Å; R115-P126 HydrophobicContact CG-CG 3.88Å; P126-V128 HydrophobicContact CB-CG2 4.43Å; P126-G236 WeakPolarHBondContact O-CA 3.25Å; P126-C237 PolarHBondContact O-N 2.85Å; P126-D263 WeakPolarHBondContact CA-OD2 3.42Å
127R98.8Very high97.1Very high12 Ų1247.9 Ų47.95%0.04523%0.231CC..EExtended strand (participates in β ladder)trans-102.9113.9172.3-58.9-178.7-175.5-171-6.4109.1F222 N223 F260 D263 V264R127-F222 HydrophobicContact CG-CE1 4.38Å; R127-N223 PolarHBondContact NH1-OD1 2.88Å; R127-N223 PolarHBondContact NH2-OD1 2.94Å; R127-F260 WeakPolarHBondContact CD-O 3.31Å; R127-F260 PolarHBondContact NH1-O 3.02Å; R127-D263 PolarHBondContact N-OD2 3Å; R127-D263 PolarHBondContact O-N 3.02Å; R127-V264 PolarHBondContact O-N 2.94Å
128V98.9Very high97.1Very high0 Ų044.5 Ų44.50%022%0.216CC..EExtended strand (participates in β ladder)trans-112.1123.8-169.3-172.20000109.8L111 P126 C237 V238 I239 V264 V266L111-V128 HydrophobicContact CD1-CG1 4.47Å; L111-V128 HydrophobicContact CD1-CG2 3.8Å; L111-V128 HydrophobicContact CD2-CG2 3.38Å; L111-V128 HydrophobicContact CG-CG2 4.22Å; P126-V128 HydrophobicContact CB-CG2 4.43Å; V128-C237 PolarHBondContact N-O 3.43Å; V128-V238 CarbonylContact O-C 3.58Å; V128-V238 WeakPolarHBondContact O-CA 3.35Å; V128-I239 PolarHBondContact O-N 2.98Å; V128-V264 CarbonylContact C-O 3.58Å; V128-V264 WeakPolarHBondContact CA-O 3.41Å; V128-V264 HydrophobicContact CG1-CB 4.36Å; V128-V264 HydrophobicContact CG1-CG1 4.41Å; V128-V264 HydrophobicContact CG2-CB 4.34Å; V128-V266 HydrophobicContact CG1-CG2 3.96Å
129M98.8Very high97.1Very high0 Ų046.6 Ų46.60%023%0.23CC..EExtended strand (participates in β ladder)trans-108.6127.5174.8-171.7177.863.400111.1V131 I239 T241 A256 A257 V262 V264 V265 V266M129-V131 HydrophobicContact CE-CG1 3.69Å; M129-V131 HydrophobicContact CG-CG1 3.82Å; M129-V131 HydrophobicContact SD-CG1 4.08Å; M129-I239 HydrophobicContact CB-CB 4.35Å; M129-I239 HydrophobicContact CB-CD1 4.38Å; M129-I239 HydrophobicContact CG-CB 4.25Å; M129-I239 HydrophobicContact CG-CG2 4.29Å; M129-T241 HydrophobicContact CG-CG2 3.81Å; M129-T241 HydrophobicContact SD-CG2 4.11Å; M129-A256 HydrophobicContact SD-CB 4.08Å; M129-A257 HydrophobicContact CE-CB 3.71Å; M129-A257 HydrophobicContact SD-CB 4.4Å; M129-V262 HydrophobicContact CB-CG1 4Å; M129-V264 PolarHBondContact N-O 2.96Å; M129-V265 HydrophobicContact CB-CG2 4.46Å; M129-V265 HydrophobicContact CE-CG1 4.06Å; M129-V265 HydrophobicContact CE-CG2 3.85Å; M129-V265 CarbonylContact O-C 3.49Å; M129-V265 WeakPolarHBondContact O-CA 3.38Å; M129-V266 PolarHBondContact O-N 2.93Å
130V98.8Very high97.1Very high0 Ų044 Ų440%022%0.221CC..EExtended strand (participates in β ladder)trans-104.4117.4179.2-175.10000109.3K138 C142 V238 I239 T241 V266 L268V130-K138 HydrophobicContact CG1-CB 4.05Å; V130-K138 HydrophobicContact CG1-CG 4.14Å; V130-C142 VanDerWaalsContact CG2-SG 3.58Å; V130-V238 HydrophobicContact CG2-CG1 4.29Å; V130-I239 PolarHBondContact N-O 2.82Å; V130-T241 PolarHBondContact O-OG1 2.74Å; V130-T241 VanDerWaalsContact O-OG1 3.13Å; V130-V266 WeakPolarHBondContact CA-O 3.2Å; V130-V266 HydrophobicContact CG2-CB 4.35Å; V130-L268 HydrophobicContact CG1-CD1 4Å; V130-L268 HydrophobicContact CG1-CG 4.15Å
131V98.7Very high97.2Very high0 Ų036 Ų360%019%0.187CC..EExtended strand (participates in β ladder)trans-127.4158.6-173.6-55.80000111.9M129 T241 L253 V265 V266 V267 L268 L273 L277M129-V131 HydrophobicContact CE-CG1 3.69Å; M129-V131 HydrophobicContact CG-CG1 3.82Å; M129-V131 HydrophobicContact SD-CG1 4.08Å; V131-T241 HydrophobicContact CG1-CG2 3.99Å; V131-L253 HydrophobicContact CB-CD1 4.36Å; V131-L253 HydrophobicContact CG1-CD1 4.4Å; V131-L253 HydrophobicContact CG1-CD2 3.94Å; V131-V265 HydrophobicContact CG1-CG1 4.33Å; V131-V265 HydrophobicContact CG2-CG1 3.76Å; V131-V266 PolarHBondContact N-O 3.01Å; V131-V267 HydrophobicContact CG2-CB 4.18Å; V131-V267 HydrophobicContact CG2-CG1 4.31Å; V131-V267 HydrophobicContact CG2-CG2 3.7Å; V131-V267 WeakPolarHBondContact O-CA 3.24Å; V131-L268 PolarHBondContact O-N 3.33Å; V131-L273 HydrophobicContact CB-CD2 4.38Å; V131-L273 HydrophobicContact CG2-CD2 4.05Å; V131-L277 HydrophobicContact CG2-CD1 3.67Å
132G98Very high97.3Very high0 Ų031.3 Ų31.30%017%0.165CC..  trans149.9165.5-177.900000111.7K138 V245G132-K138 WeakPolarHBondContact O-CE 3.48Å; G132-K138 PolarHBondContact O-NZ 3.28Å; G132-V245 VanDerWaalsContact C-CG1 3.44Å; G132-V245 WeakPolarHBondContact O-CG1 3.43Å
133P97.2Very high97.5Very high29 Ų2925.8 Ų25.819%0.18814%0.137CC..SBendtrans-64.4179.2-17926.4-31.5000112.1V136 K138 V245 Q270P133-V136 HydrophobicContact CG-CG1 3.7Å; P133-V136 VanDerWaalsContact O-CG2 3.31Å; P133-V136 WeakPolarHBondContact O-CG2 3.35Å; P133-K138 PolarHBondContact O-NZ 3.08Å; P133-V245 HydrophobicContact CB-CG2 4.44Å; P133-Q270 HydrophobicContact CG-CB 4.44Å
134T95.3Very high97.6Very high78 Ų7820.3 Ų20.348%0.47911%0.111SC..THydrogen-bonded Turntrans-59.8148.8171.145.90000111.2V136T134-V136 PolarHBondContact O-N 2.76Å
135D94.3Very high97.7Very high32 Ų3216.3 Ų16.317%0.17110%0.096CC..THydrogen-bonded Turntrans61.242.9171.2-52.5-28.9000115.1V296 R299 R304D135-V296 VanDerWaalsContact C-CG1 3.47Å; D135-V296 WeakPolarHBondContact O-CG1 3.24Å; D135-R299 PolarHBondContact OD2-N 2.86Å; D135-R304 IonicContact OD1-CZ 3.32Å; D135-R304 IonicContact OD1-NH2 3.81Å; D135-R304 PolarHBondContact OD1-NH2 2.77Å; D135-R304 IonicContact OD2-CZ 3.69Å; D135-R304 IonicContact OD2-NH2 2.68Å; D135-R304 PolarHBondContact OD2-NH2 2.92Å
136V96.4Very high97.7Very high4 Ų416.2 Ų16.22%0.02410%0.095CC..SBendtrans-1164171.5-58.10000113.8P133 T134 K138 L268 D269 K292P133-V136 HydrophobicContact CG-CG1 3.7Å; P133-V136 VanDerWaalsContact O-CG2 3.31Å; P133-V136 WeakPolarHBondContact O-CG2 3.35Å; T134-V136 PolarHBondContact O-N 2.76Å; V136-K138 HydrophobicContact CG2-CD 4.48Å; V136-K138 HydrophobicContact CG2-CG 3.73Å; V136-L268 HydrophobicContact CB-CB 4.02Å; V136-L268 HydrophobicContact CG2-CB 3.61Å; V136-L268 HydrophobicContact CG2-CD1 4.21Å; V136-D269 HydrophobicContact CB-CB 4.3Å; V136-D269 HydrophobicContact CG1-CB 4Å; V136-K292 HydrophobicContact CB-CB 4.29Å
137G96.2Very high97.7Very high14 Ų1416.1 Ų16.114%0.14410%0.095CC..  trans86.420.9176.500000116.2S139 T140 V141G137-S139 PolarHBondContact O-N 2.87Å; G137-T140 WeakPolarHBondContact O-CB 3.5Å; G137-T140 PolarHBondContact O-N 3.29Å; G137-T140 VanDerWaalsContact O-N 3.12Å; G137-V141 PolarHBondContact O-N 2.84Å
138K97.7Very high97.7Very high15 Ų1516 Ų167%0.06510%0.095CC..Hα-helixtrans-51.6-53.6-178.8-63.1-168.3-64.3-72.20113.8V130 G132 P133 V136 T140 V141 C142 N240 T241 L268V130-K138 HydrophobicContact CG1-CB 4.05Å; V130-K138 HydrophobicContact CG1-CG 4.14Å; G132-K138 WeakPolarHBondContact O-CE 3.48Å; G132-K138 PolarHBondContact O-NZ 3.28Å; P133-K138 PolarHBondContact O-NZ 3.08Å; V136-K138 HydrophobicContact CG2-CD 4.48Å; V136-K138 HydrophobicContact CG2-CG 3.73Å; K138-T140 VanDerWaalsContact C-N 3.28Å; K138-T140 PolarHBondContact O-N 3.27Å; K138-V141 PolarHBondContact O-N 3.44Å; K138-C142 PolarHBondContact O-N 3.49Å; K138-C142 PolarHBondContact O-SG 2.92Å; K138-N240 WeakPolarHBondContact CB-OD1 3.41Å; K138-T241 WeakPolarHBondContact CE-O 3.46Å; K138-L268 HydrophobicContact CB-CD1 4.36Å; K138-L268 HydrophobicContact CG-CD1 3.95Å
139S96.9Very high97.7Very high49 Ų4916 Ų1634%0.34310%0.095SC..Hα-helixtrans-63.3-34.7179.9-49.40000112.2G137 C142 R143 N240G137-S139 PolarHBondContact O-N 2.87Å; S139-C142 PolarHBondContact O-N 2.88Å; S139-R143 WeakPolarHBondContact O-CB 3.34Å; S139-R143 PolarHBondContact O-N 3.39Å; S139-N240 PolarHBondContact OG-ND2 2.71Å
140T96.9Very high97.6Very high51 Ų5116.7 Ų16.731%0.31310%0.099SC..Hα-helixtrans-65.5-46175.3-54.90000111.6F56 G137 K138 R143 L144F56-T140 HydrophobicContact CD1-CG2 3.29Å; F56-T140 HydrophobicContact CD2-CG2 4.45Å; F56-T140 HydrophobicContact CE1-CG2 3.44Å; F56-T140 VanDerWaalsContact CE1-CG2 3.44Å; F56-T140 HydrophobicContact CG-CG2 3.84Å; F56-T140 HydrophobicContact CZ-CG2 4.11Å; G137-T140 WeakPolarHBondContact O-CB 3.5Å; G137-T140 PolarHBondContact O-N 3.29Å; G137-T140 VanDerWaalsContact O-N 3.12Å; K138-T140 VanDerWaalsContact C-N 3.28Å; K138-T140 PolarHBondContact O-N 3.27Å; T140-R143 PolarHBondContact O-N 3.46Å; T140-L144 WeakPolarHBondContact O-CB 3.28Å; T140-L144 PolarHBondContact O-N 2.85Å
141V98.1Very high97.5Very high2 Ų221 Ų211%0.01212%0.115CC..Hα-helixtrans-63.7-41.9175.8172.70000110.7Y104 G137 K138 R143 L144 L145 L268Y104-V141 HydrophobicContact CD1-CG2 4.45Å; Y104-V141 HydrophobicContact CE1-CG2 3.86Å; Y104-V141 HydrophobicContact CE2-CG2 4.17Å; G137-V141 PolarHBondContact O-N 2.84Å; K138-V141 PolarHBondContact O-N 3.44Å; V141-R143 PolarHBondContact O-N 3.44Å; V141-L144 PolarHBondContact O-N 2.8Å; V141-L145 HydrophobicContact CG1-CD1 3.95Å; V141-L145 HydrophobicContact CG1-CG 4.24Å; V141-L145 VanDerWaalsContact O-CG 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.44Å; V141-L145 PolarHBondContact O-N 3.24Å; V141-L268 HydrophobicContact CB-CD1 4.26Å; V141-L268 HydrophobicContact CG2-CD1 3.83Å; V141-L268 HydrophobicContact CG2-CD2 4.37Å
142C98.6Very high97.5Very high0 Ų025.3 Ų25.30%014%0.137CC..Hα-helixtrans-58.1-50.2174.9-66.30000111.3V130 K138 S139 L144 L145 L146 Y158 V238V130-C142 VanDerWaalsContact CG2-SG 3.58Å; K138-C142 PolarHBondContact O-N 3.49Å; K138-C142 PolarHBondContact O-SG 2.92Å; S139-C142 PolarHBondContact O-N 2.88Å; C142-L144 VanDerWaalsContact C-N 3.33Å; C142-L144 PolarHBondContact O-N 3.46Å; C142-L145 PolarHBondContact O-N 3.33Å; C142-L146 WeakPolarHBondContact O-CB 3.21Å; C142-L146 WeakPolarHBondContact O-CD1 3.26Å; C142-L146 WeakPolarHBondContact O-CG 3.42Å; C142-L146 PolarHBondContact O-N 3.27Å; C142-Y158 HydrophobicContact CB-CE2 3.8Å; C142-V238 HydrophobicContact CB-CG1 3.97Å
143R98.1Very high97.4Very high47 Ų4727 Ų2718%0.17716%0.155CC..Hα-helixtrans-57.2-45.1177.9-178.9172.9176.5170-1111.9F56 S139 T140 V141 L146 N147 A183 D184 F189F56-R143 HydrophobicContact CB-CG 4.23Å; S139-R143 WeakPolarHBondContact O-CB 3.34Å; S139-R143 PolarHBondContact O-N 3.39Å; T140-R143 PolarHBondContact O-N 3.46Å; V141-R143 PolarHBondContact O-N 3.44Å; R143-L146 PolarHBondContact O-N 2.68Å; R143-N147 VanDerWaalsContact O-CB 3.29Å; R143-N147 WeakPolarHBondContact O-CB 3.39Å; R143-N147 PolarHBondContact O-N 3.06Å; R143-A183 HydrophobicContact CG-CB 4.43Å; R143-D184 PolarHBondContact NH2-O 3.49Å; R143-F189 HydrophobicContact CB-CE2 4.22Å; R143-F189 HydrophobicContact CB-CZ 4.47Å; R143-F189 HydrophobicContact CG-CE2 4Å; R143-F189 HydrophobicContact CG-CZ 4.02Å
144L98.4Very high97.4Very high3 Ų326.8 Ų26.82%0.01615%0.151CC..Hα-helixtrans-62.9-48.7178.5-178.5153.4000112.3F56 M101 Y104 T140 V141 C142 L146 N147 Y148F56-L144 WeakPolarHBondContact O-CA 3.32Å; M101-L144 HydrophobicContact CE-CD1 3.82Å; M101-L144 HydrophobicContact SD-CD1 3.53Å; M101-L144 VanDerWaalsContact SD-CD1 3.53Å; Y104-L144 HydrophobicContact CD2-CD1 4.04Å; T140-L144 WeakPolarHBondContact O-CB 3.28Å; T140-L144 PolarHBondContact O-N 2.85Å; V141-L144 PolarHBondContact O-N 2.8Å; C142-L144 VanDerWaalsContact C-N 3.33Å; C142-L144 PolarHBondContact O-N 3.46Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.06Å; L144-N147 PolarHBondContact O-N 3.35Å; L144-Y148 HydrophobicContact CD2-CD2 3.66Å; L144-Y148 HydrophobicContact CD2-CE2 3.41Å; L144-Y148 VanDerWaalsContact CD2-CE2 3.41Å; L144-Y148 HydrophobicContact CD2-CG 4.42Å; L144-Y148 HydrophobicContact CG-CD2 4.39Å; L144-Y148 HydrophobicContact CG-CE2 4.01Å; L144-Y148 PolarHBondContact O-N 3.44Å
145L98.6Very high97.5Very high2 Ų226.1 Ų26.11%0.0114%0.139CC..Hα-helixtrans-62.6-39179.7-69177.6000112.3T107 H108 L111 V141 C142 A149T107-L145 HydrophobicContact CG2-CD2 4.36Å; H108-L145 HydrophobicContact CB-CD2 3.96Å; L111-L145 HydrophobicContact CD1-CD1 4.45Å; L111-L145 HydrophobicContact CD1-CD2 4.36Å; V141-L145 HydrophobicContact CG1-CD1 3.95Å; V141-L145 HydrophobicContact CG1-CG 4.24Å; V141-L145 VanDerWaalsContact O-CG 3.31Å; V141-L145 WeakPolarHBondContact O-CG 3.44Å; V141-L145 PolarHBondContact O-N 3.24Å; C142-L145 PolarHBondContact O-N 3.33Å; L145-A149 WeakPolarHBondContact O-CB 3.29Å; L145-A149 PolarHBondContact O-N 2.99Å; L145-A149 VanDerWaalsContact O-N 3.11Å
146L98.7Very high97.7Very high0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-67.1-47.7175.9-70.8165.3000111.5C142 R143 L144 Y148 A149 V150 P156 Y158 I179 F189 V238C142-L146 WeakPolarHBondContact O-CB 3.21Å; C142-L146 WeakPolarHBondContact O-CD1 3.26Å; C142-L146 WeakPolarHBondContact O-CG 3.42Å; C142-L146 PolarHBondContact O-N 3.27Å; R143-L146 PolarHBondContact O-N 2.68Å; L144-L146 VanDerWaalsContact C-N 3.32Å; L144-L146 PolarHBondContact O-N 3.06Å; L146-Y148 PolarHBondContact O-N 3.37Å; L146-A149 WeakPolarHBondContact O-CB 3.35Å; L146-A149 PolarHBondContact O-N 2.61Å; L146-V150 WeakPolarHBondContact O-CG2 3.26Å; L146-V150 PolarHBondContact O-N 3.02Å; L146-P156 HydrophobicContact CD2-CB 3.88Å; L146-P156 HydrophobicContact CD2-CG 3.51Å; L146-Y158 HydrophobicContact CD1-CD1 4.47Å; L146-Y158 HydrophobicContact CD1-CD2 3.5Å; L146-Y158 HydrophobicContact CD1-CE2 4.24Å; L146-Y158 HydrophobicContact CD1-CG 3.62Å; L146-I179 HydrophobicContact CD1-CG1 4.37Å; L146-I179 HydrophobicContact CD2-CG1 4.07Å; L146-F189 HydrophobicContact CB-CE1 4.31Å; L146-F189 HydrophobicContact CB-CE2 4.36Å; L146-F189 HydrophobicContact CB-CZ 3.63Å; L146-F189 HydrophobicContact CD1-CE2 3.71Å; L146-F189 HydrophobicContact CD1-CZ 3.84Å; L146-F189 HydrophobicContact CG-CZ 4.42Å; L146-V238 HydrophobicContact CD2-CB 3.9Å; L146-V238 HydrophobicContact CD2-CG2 3.74Å; L146-V238 HydrophobicContact CG-CB 4.1Å; L146-V238 HydrophobicContact CG-CG2 4.06Å
147N98.6Very high97.8Very high0 Ų024.6 Ų24.60%013%0.131CC..Hα-helixtrans-58.4-46.7178.1-85.9-20.8000112F56 T58 R143 L144 A149 V150 R151 P182 A183 F189F56-N147 PolarHBondContact O-ND2 2.93Å; T58-N147 PolarHBondContact N-ND2 2.86Å; T58-N147 PolarHBondContact OG1-ND2 3.28Å; R143-N147 VanDerWaalsContact O-CB 3.29Å; R143-N147 WeakPolarHBondContact O-CB 3.39Å; R143-N147 PolarHBondContact O-N 3.06Å; L144-N147 PolarHBondContact O-N 3.35Å; N147-A149 PolarHBondContact O-N 2.83Å; N147-V150 PolarHBondContact O-N 2.97Å; N147-R151 WeakPolarHBondContact O-CG 3.19Å; N147-R151 PolarHBondContact O-N 3.33Å; N147-P182 VanDerWaalsContact OD1-CA 3.24Å; N147-P182 WeakPolarHBondContact OD1-CA 3.41Å; N147-A183 PolarHBondContact OD1-N 2.61Å; N147-F189 WeakPolarHBondContact OD1-CE1 2.78Å
148Y98.6Very high97.9Very high11 Ų1124.1 Ų24.14%0.04313%0.125CC..Hα-helixtrans-62.5-41.2175.8-71.9-9.5000112.5E54 M101 L105 H108 L144 L146 V150 R151 L152E54-Y148 PolarHBondContact OE1-OH 3.32Å; M101-Y148 VanDerWaalsContact CE-OH 3.3Å; M101-Y148 WeakPolarHBondContact CE-OH 3.37Å; L105-Y148 HydrophobicContact CD1-CD2 4.46Å; L105-Y148 HydrophobicContact CD1-CE2 4.07Å; H108-Y148 HydrophobicContact CB-CD2 3.83Å; H108-Y148 VanDerWaalsContact CE1-CB 3.43Å; H108-Y148 WeakPolarHBondContact CE1-CB 3.32Å; H108-Y148 AromaticContact CG-CD2 3.73Å; H108-Y148 WeakPolarHBondContact ND1-CB 3.4Å; L144-Y148 HydrophobicContact CD2-CD2 3.66Å; L144-Y148 HydrophobicContact CD2-CE2 3.41Å; L144-Y148 VanDerWaalsContact CD2-CE2 3.41Å; L144-Y148 HydrophobicContact CD2-CG 4.42Å; L144-Y148 HydrophobicContact CG-CD2 4.39Å; L144-Y148 HydrophobicContact CG-CE2 4.01Å; L144-Y148 PolarHBondContact O-N 3.44Å; L146-Y148 PolarHBondContact O-N 3.37Å; Y148-V150 VanDerWaalsContact C-N 3.33Å; Y148-V150 PolarHBondContact O-N 3.26Å; Y148-R151 PolarHBondContact O-N 2.98Å; Y148-L152 PolarHBondContact O-N 2.87Å
149A98.4Very high98Very high0 Ų023.4 Ų23.40%012%0.122CC..Hα-helixtrans-59.9-43.8176.500000111.9H108 L145 L146 N147 L152 G153 R154 P156H108-A149 PolarHBondContact CE1-N 2.86Å; H108-A149 VanDerWaalsContact CE1-N 3.31Å; L145-A149 WeakPolarHBondContact O-CB 3.29Å; L145-A149 PolarHBondContact O-N 2.99Å; L145-A149 VanDerWaalsContact O-N 3.11Å; L146-A149 WeakPolarHBondContact O-CB 3.35Å; L146-A149 PolarHBondContact O-N 2.61Å; N147-A149 PolarHBondContact O-N 2.83Å; A149-L152 CarbonylContact O-C 3.6Å; A149-L152 PolarHBondContact O-N 2.97Å; A149-G153 PolarHBondContact O-N 3.22Å; A149-R154 HydrophobicContact CB-CB 4.14Å; A149-R154 WeakPolarHBondContact O-CB 3.32Å; A149-R154 WeakPolarHBondContact O-CG 3.3Å; A149-R154 PolarHBondContact O-N 3.02Å; A149-P156 HydrophobicContact CB-CG 3.97Å
150V97.8Very high98Very high14 Ų1421.2 Ų21.29%0.08511%0.106CC..Hα-helixtrans-71.3-34-179.6178.50000112.4L146 N147 Y148 L152 G153 R154 P156 I179 E180 P182L146-V150 WeakPolarHBondContact O-CG2 3.26Å; L146-V150 PolarHBondContact O-N 3.02Å; N147-V150 PolarHBondContact O-N 2.97Å; Y148-V150 VanDerWaalsContact C-N 3.33Å; Y148-V150 PolarHBondContact O-N 3.26Å; V150-L152 PolarHBondContact O-N 3.29Å; V150-G153 WeakPolarHBondContact O-CA 3.25Å; V150-G153 PolarHBondContact O-N 2.93Å; V150-R154 WeakPolarHBondContact CA-O 3.18Å; V150-P156 HydrophobicContact CG2-CG 4.47Å; V150-I179 HydrophobicContact CG2-CB 4.23Å; V150-I179 HydrophobicContact CG2-CG2 3.67Å; V150-E180 WeakPolarHBondContact CG1-O 3.39Å; V150-P182 HydrophobicContact CG1-CG 4.34Å
151R97.1Very high98.1Very high90 Ų9018.9 Ų18.934%0.349%0.092SC..Hα-helixtrans-59.1-28.6170.9-75.3168.768.1-172.2-1.3112.5E54 G57 E59 N147 Y148 G153 P182E54-R151 IonicContact OE2-CZ 3.13Å; E54-R151 IonicContact OE2-NH1 2.86Å; E54-R151 PolarHBondContact OE2-NH1 3.09Å; E54-R151 IonicContact OE2-NH2 3.55Å; G57-R151 VanDerWaalsContact O-CD 3.28Å; G57-R151 WeakPolarHBondContact O-CD 3.27Å; G57-R151 PolarHBondContact O-NH1 3.24Å; E59-R151 IonicContact OE1-CZ 2.68Å; E59-R151 IonicContact OE1-NE 2.61Å; E59-R151 PolarHBondContact OE1-NE 3.49Å; E59-R151 IonicContact OE1-NH2 3.32Å; E59-R151 PolarHBondContact OE1-NH2 3.47Å; N147-R151 WeakPolarHBondContact O-CG 3.19Å; N147-R151 PolarHBondContact O-N 3.33Å; Y148-R151 PolarHBondContact O-N 2.98Å; R151-G153 VanDerWaalsContact C-N 3.32Å; R151-P182 HydrophobicContact CG-CG 4.29Å
152L97.3Very high98.1Very high90 Ų9019.8 Ų19.847%0.47110%0.097SC..THydrogen-bonded Turntrans-90.313.8172.5-61.5-175.9000113.9H108 E112 Y148 A149 V150 R154H108-L152 VanDerWaalsContact NE2-CD1 3.34Å; H108-L152 WeakPolarHBondContact NE2-CD1 3.45Å; E112-L152 HydrophobicContact CB-CD1 4.32Å; E112-L152 HydrophobicContact CG-CD1 3.8Å; Y148-L152 PolarHBondContact O-N 2.87Å; A149-L152 CarbonylContact O-C 3.6Å; A149-L152 PolarHBondContact O-N 2.97Å; V150-L152 PolarHBondContact O-N 3.29Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.99Å
153G96.8Very high98Very high37 Ų3719.9 Ų19.938%0.38110%0.097SC..THydrogen-bonded Turntrans79.14.9176.300000115.2A149 V150 R151 R231A149-G153 PolarHBondContact O-N 3.22Å; V150-G153 WeakPolarHBondContact O-CA 3.25Å; V150-G153 PolarHBondContact O-N 2.93Å; R151-G153 VanDerWaalsContact C-N 3.32Å; G153-R231 PolarHBondContact O-NH2 3.17Å
154R97.7Very high98Very high24 Ų2418 Ų189%0.0919%0.092CC..  trans-73163.4172.5-52.1-62.1-173.1-172.6-5.1110.5E112 E119 A149 V150 L152E112-R154 IonicContact OE1-CZ 3.52Å; E112-R154 IonicContact OE1-NE 2.77Å; E112-R154 PolarHBondContact OE1-NE 3.33Å; E112-R154 IonicContact OE1-NH2 3.3Å; E112-R154 PolarHBondContact OE1-NH2 2.68Å; E112-R154 IonicContact OE2-CZ 3.49Å; E112-R154 IonicContact OE2-NE 3.38Å; E112-R154 PolarHBondContact OE2-NE 3.45Å; E112-R154 IonicContact OE2-NH2 2.79Å; E119-R154 IonicContact OE1-NH1 2.72Å; E119-R154 IonicContact OE2-CZ 3.6Å; E119-R154 IonicContact OE2-NH1 3.68Å; E119-R154 PolarHBondContact OE2-NH1 2.98Å; E119-R154 IonicContact OE2-NH2 3.73Å; E119-R154 PolarHBondContact OE2-NH2 3.04Å; A149-R154 HydrophobicContact CB-CB 4.14Å; A149-R154 WeakPolarHBondContact O-CB 3.32Å; A149-R154 WeakPolarHBondContact O-CG 3.3Å; A149-R154 PolarHBondContact O-N 3.02Å; V150-R154 WeakPolarHBondContact CA-O 3.18Å; L152-R154 VanDerWaalsContact C-N 3.29Å; L152-R154 PolarHBondContact O-N 2.99Å
155R96.6Very high97.7Very high64 Ų6419.6 Ų19.624%0.24210%0.1CC..  trans-135.668.9177.8-63-170.7173.4-156.6-10.2111Y178 I179 E180 R231 S235R155-Y178 HydrophobicContact CB-CE1 4.35Å; R155-Y178 HydrophobicContact CB-CE2 3.74Å; R155-Y178 WeakPolarHBondContact CB-OH 3.12Å; R155-Y178 WeakPolarHBondContact CD-OH 3.42Å; R155-Y178 VanDerWaalsContact O-CE2 3.24Å; R155-Y178 WeakPolarHBondContact O-CE2 3.16Å; R155-I179 WeakPolarHBondContact CA-O 3.39Å; R155-E180 IonicContact CZ-OE1 3.59Å; R155-E180 VanDerWaalsContact CZ-OE1 3.25Å; R155-E180 IonicContact NH1-OE1 3.9Å; R155-E180 PolarHBondContact NH1-OE1 2.71Å; R155-E180 IonicContact NH2-OE1 3.83Å; R155-R231 HydrophobicContact CB-CG 4.41Å; R155-R231 HydrophobicContact CG-CG 4.39Å; R155-S235 PolarHBondContact N-OG 3.41Å; R155-S235 VanDerWaalsContact O-CB 3.24Å; R155-S235 WeakPolarHBondContact O-CB 3.45Å
156P98.1Very high97.3Very high0 Ų020 Ų200%010%0.104CC..PPolyproline II helixtrans-70.7155.1-178.331.3-36.2000111.5L146 A149 V150 I179 G236L146-P156 HydrophobicContact CD2-CB 3.88Å; L146-P156 HydrophobicContact CD2-CG 3.51Å; A149-P156 HydrophobicContact CB-CG 3.97Å; V150-P156 HydrophobicContact CG2-CG 4.47Å; P156-I179 PolarHBondContact O-N 3.47Å; P156-G236 WeakPolarHBondContact CA-O 3.5Å
157T98.4Very high96.9Very high3 Ų321.9 Ų21.92%0.01812%0.117CC..EExtended strand (participates in β ladder)trans-87.1126.9166.8-600000109.9V159 A176 F222 G236 C237 V238T157-V159 HydrophobicContact CG2-CG2 4.08Å; T157-A176 HydrophobicContact CG2-CB 3.86Å; T157-F222 HydrophobicContact CG2-CD2 4.06Å; T157-F222 HydrophobicContact CG2-CE2 4.25Å; T157-G236 PolarHBondContact N-O 3.33Å; T157-C237 CarbonylContact O-C 3.51Å; T157-C237 WeakPolarHBondContact O-CA 3.43Å; T157-C237 WeakPolarHBondContact O-CB 2.95Å; T157-V238 PolarHBondContact O-N 2.8Å
158Y98.7Very high96.7Very high4 Ų422.1 Ų22.12%0.01612%0.119CC..EExtended strand (participates in β ladder)trans-84125.4165.2-178.8-137.5000109.2C142 L146 E160 S167 V168 A176 L177 V238 N240C142-Y158 HydrophobicContact CB-CE2 3.8Å; L146-Y158 HydrophobicContact CD1-CD1 4.47Å; L146-Y158 HydrophobicContact CD1-CD2 3.5Å; L146-Y158 HydrophobicContact CD1-CE2 4.24Å; L146-Y158 HydrophobicContact CD1-CG 3.62Å; Y158-E160 HydrophobicContact CE1-CB 4.34Å; Y158-E160 PolarHBondContact OH-OE2 2.92Å; Y158-S167 WeakPolarHBondContact CE1-OG 3.43Å; Y158-V168 HydrophobicContact CD1-CG2 3.57Å; Y158-V168 HydrophobicContact CE1-CG2 3.68Å; Y158-A176 CarbonylContact O-C 3.5Å; Y158-A176 WeakPolarHBondContact O-CA 3.38Å; Y158-L177 PolarHBondContact N-O 2.86Å; Y158-L177 PolarHBondContact O-N 3.13Å; Y158-V238 WeakPolarHBondContact CD2-O 3.3Å; Y158-N240 HydrophobicContact CE2-CB 3.75Å; Y158-N240 VanDerWaalsContact OH-CB 3.31Å; Y158-N240 WeakPolarHBondContact OH-CB 3.11Å
159V98.8Very high96.6Very high0 Ų022.2 Ų22.20%012%0.121CC..EExtended strand (participates in β ladder)trans-112.2130.1175.1179.50000108.3T157 L161 A176 C237 V238 I239 N240 F260T157-V159 HydrophobicContact CG2-CG2 4.08Å; V159-L161 HydrophobicContact CG1-CD2 3.76Å; V159-L161 HydrophobicContact CG1-CG 4.12Å; V159-A176 HydrophobicContact CG2-CB 4.24Å; V159-C237 HydrophobicContact CG2-CB 4.34Å; V159-V238 PolarHBondContact N-O 2.69Å; V159-I239 HydrophobicContact CB-CB 4.24Å; V159-I239 HydrophobicContact CB-CG1 3.9Å; V159-I239 HydrophobicContact CB-CG2 4.18Å; V159-I239 HydrophobicContact CG1-CG1 4.39Å; V159-I239 HydrophobicContact CG1-CG2 4.05Å; V159-I239 HydrophobicContact CG2-CG1 4.21Å; V159-I239 CarbonylContact O-C 3.56Å; V159-I239 WeakPolarHBondContact O-CA 2.96Å; V159-N240 PolarHBondContact O-N 3.3Å; V159-F260 HydrophobicContact CG1-CE1 4.1Å; V159-F260 HydrophobicContact CG1-CE2 4.31Å; V159-F260 HydrophobicContact CG1-CZ 3.64Å; V159-F260 HydrophobicContact CG2-CE1 3.98Å; V159-F260 HydrophobicContact CG2-CZ 4.37Å
160E98.3Very high96.5Very high4 Ų422.3 Ų22.32%0.01912%0.121CC..EExtended strand (participates in β ladder)trans-116.9109.4-177.9-177.864-89.600109.7Y158 D162 G166 S167 V168 M174 G175 N240Y158-E160 HydrophobicContact CE1-CB 4.34Å; Y158-E160 PolarHBondContact OH-OE2 2.92Å; E160-D162 WeakPolarHBondContact OE1-CB 3.39Å; E160-D162 PolarHBondContact OE1-N 3.41Å; E160-D162 VanDerWaalsContact OE1-N 3.17Å; E160-G166 VanDerWaalsContact CD-CA 3.43Å; E160-G166 WeakPolarHBondContact OE2-CA 3.46Å; E160-S167 PolarHBondContact OE2-N 3.4Å; E160-S167 PolarHBondContact OE2-OG 3.47Å; E160-V168 HydrophobicContact CB-CB 4.05Å; E160-V168 HydrophobicContact CB-CG2 3.54Å; E160-V168 HydrophobicContact CG-CB 4.48Å; E160-V168 HydrophobicContact CG-CG2 4.27Å; E160-M174 WeakPolarHBondContact O-CA 3.28Å; E160-G175 PolarHBondContact N-O 2.96Å; E160-G175 PolarHBondContact O-N 2.94Å; E160-N240 PolarHBondContact OE1-ND2 3.05Å; E160-N240 PolarHBondContact OE2-ND2 3.32Å
161L98.6Very high96.5Very high1 Ų121.9 Ų21.91%0.00512%0.119CC..  trans-105.41.4176.8-49.7-179.7000112V159 V163 M174 Y211 T215 L218 I239 N240 A256 F260V159-L161 HydrophobicContact CG1-CD2 3.76Å; V159-L161 HydrophobicContact CG1-CG 4.12Å; L161-V163 PolarHBondContact O-N 3.13Å; L161-M174 HydrophobicContact CB-CE 3.97Å; L161-M174 HydrophobicContact CD2-CE 3.52Å; L161-M174 HydrophobicContact CG-CE 4.3Å; L161-Y211 WeakPolarHBondContact CB-OH 3.36Å; L161-Y211 VanDerWaalsContact O-CE2 3.26Å; L161-Y211 WeakPolarHBondContact O-CE2 3.38Å; L161-Y211 PolarHBondContact O-OH 3.16Å; L161-T215 HydrophobicContact CD1-CG2 4.17Å; L161-T215 HydrophobicContact CD2-CG2 4.47Å; L161-L218 HydrophobicContact CD2-CD1 4.02Å; L161-I239 HydrophobicContact CD1-CG2 3.54Å; L161-I239 HydrophobicContact CG-CG2 3.86Å; L161-N240 WeakPolarHBondContact CB-O 3.3Å; L161-N240 PolarHBondContact N-O 3.46Å; L161-A256 HydrophobicContact CD1-CB 3.9Å; L161-F260 HydrophobicContact CD1-CE2 4.41Å; L161-F260 HydrophobicContact CD2-CE2 4.38Å
162D98.1Very high96.6Very high22 Ų2217.6 Ų17.612%0.11810%0.103CC..  trans-83.498.9173.4-166.9-27.5000111.5E160 G164 Q165 G166 C242E160-D162 WeakPolarHBondContact OE1-CB 3.39Å; E160-D162 PolarHBondContact OE1-N 3.41Å; E160-D162 VanDerWaalsContact OE1-N 3.17Å; D162-G164 PolarHBondContact O-N 2.84Å; D162-G164 WeakPolarHBondContact OD1-CA 3.36Å; D162-G164 PolarHBondContact OD1-N 2.93Å; D162-Q165 PolarHBondContact OD1-N 3.4Å; D162-G166 VanDerWaalsContact O-CA 3.29Å; D162-G166 WeakPolarHBondContact O-CA 3.4Å; D162-G166 PolarHBondContact O-N 3.06Å; D162-C242 HydrophobicContact CB-CB 4.41Å
163V97.6Very high96.6Very high1 Ų113.7 Ų13.71%0.0068%0.083CC..THydrogen-bonded Turntrans-69.8-13177.1-62.70000113.8L161 G172 M174 F199 P204 Y211L161-V163 PolarHBondContact O-N 3.13Å; V163-G172 PolarHBondContact O-N 3.33Å; V163-M174 HydrophobicContact CG1-CG 3.42Å; V163-M174 VanDerWaalsContact CG1-CG 3.42Å; V163-M174 HydrophobicContact CG1-SD 4.07Å; V163-F199 HydrophobicContact CB-CD1 3.78Å; V163-F199 HydrophobicContact CB-CE1 4.28Å; V163-F199 HydrophobicContact CG1-CB 4Å; V163-F199 HydrophobicContact CG1-CD1 3.54Å; V163-F199 HydrophobicContact CG1-CE1 4.23Å; V163-F199 HydrophobicContact CG1-CG 3.85Å; V163-F199 HydrophobicContact CG2-CD1 3.93Å; V163-F199 HydrophobicContact CG2-CE1 3.9Å; V163-P204 HydrophobicContact CG2-CG 3.9Å; V163-Y211 HydrophobicContact CG1-CD2 4.14Å; V163-Y211 HydrophobicContact CG1-CE2 3.98Å
164G96.3Very high96.7Very high7 Ų712 Ų127%0.0727%0.065CC..THydrogen-bonded Turntrans-96.1-37.6-176.100000113.8D162 T202 R308D162-G164 PolarHBondContact O-N 2.84Å; D162-G164 WeakPolarHBondContact OD1-CA 3.36Å; D162-G164 PolarHBondContact OD1-N 2.93Å; G164-T202 VanDerWaalsContact CA-O 3.3Å; G164-T202 WeakPolarHBondContact CA-O 3.37Å; G164-R308 VanDerWaalsContact O-CD 3.3Å; G164-R308 WeakPolarHBondContact O-CD 3.36Å; G164-R308 VanDerWaalsContact O-CG 3.31Å; G164-R308 WeakPolarHBondContact O-CG 3.47Å
165Q93.1Very high96.7Very high38 Ų3811 Ų1118%0.1786%0.062CC..THydrogen-bonded Turntrans-137.820-173.8-63.3-69.5-71.100113.2D162 R304D162-Q165 PolarHBondContact OD1-N 3.4Å; Q165-R304 PolarHBondContact NE2-O 3Å
166G90.2Very high96.8Very high10 Ų108.4 Ų8.410%0.1035%0.054CC..  trans-58.5153.8179.700000113.8E160 D162E160-G166 VanDerWaalsContact CD-CA 3.43Å; E160-G166 WeakPolarHBondContact OE2-CA 3.46Å; D162-G166 VanDerWaalsContact O-CA 3.29Å; D162-G166 WeakPolarHBondContact O-CA 3.4Å; D162-G166 PolarHBondContact O-N 3.06Å
167S89.6Confident96.8Very high40 Ų408.6 Ų8.628%0.286%0.055SC..SBendtrans-110.2-6-176.254.80000114.8Y158 E160Y158-S167 WeakPolarHBondContact CE1-OG 3.43Å; E160-S167 PolarHBondContact OE2-N 3.4Å; E160-S167 PolarHBondContact OE2-OG 3.47Å
168V94.6Very high96.7Very high4 Ų49.8 Ų9.82%0.0246%0.06CC..SBendtrans-78.9-30.6-179.7171.60000112.3Y158 E160 L177 P194 V196Y158-V168 HydrophobicContact CD1-CG2 3.57Å; Y158-V168 HydrophobicContact CE1-CG2 3.68Å; E160-V168 HydrophobicContact CB-CB 4.05Å; E160-V168 HydrophobicContact CB-CG2 3.54Å; E160-V168 HydrophobicContact CG-CB 4.48Å; E160-V168 HydrophobicContact CG-CG2 4.27Å; V168-L177 HydrophobicContact CG1-CB 4.32Å; V168-L177 HydrophobicContact CG2-CB 4.2Å; V168-P194 HydrophobicContact CG1-CB 3.93Å; V168-V196 HydrophobicContact CG1-CG2 4.5Å
169S96.1Very high96.6Very high14 Ų149.8 Ų9.810%0.0986%0.06CC..SBendtrans-156.7-165.8-178.5-1620000110.3F397S169-F397 WeakPolarHBondContact OG-CE2 3.48Å
170I97.5Very high96.4Very high1 Ų113.5 Ų13.51%0.0058%0.077CC..SBendtrans-67.7159177.664.6160.7000111.7T173 I312 Y315 L376 F397 M428I170-T173 HydrophobicContact CG1-CG2 3.83Å; I170-T173 WeakPolarHBondContact O-CB 3.42Å; I170-T173 WeakPolarHBondContact O-CG2 3.37Å; I170-T173 PolarHBondContact O-OG1 3.33Å; I170-I312 HydrophobicContact CB-CG1 4.33Å; I170-I312 HydrophobicContact CG2-CG1 4.43Å; I170-Y315 HydrophobicContact CG2-CD1 4.15Å; I170-Y315 HydrophobicContact CG2-CD2 4.03Å; I170-Y315 HydrophobicContact CG2-CG 3.62Å; I170-L376 HydrophobicContact CD1-CD1 4Å; I170-F397 HydrophobicContact CD1-CB 3.92Å; I170-F397 HydrophobicContact CD1-CD1 3.38Å; I170-F397 HydrophobicContact CD1-CD2 3.78Å; I170-F397 HydrophobicContact CD1-CE1 3.77Å; I170-F397 HydrophobicContact CD1-CE2 4.17Å; I170-F397 HydrophobicContact CD1-CG 3.39Å; I170-F397 HydrophobicContact CD1-CZ 4.16Å; I170-F397 HydrophobicContact CG1-CD1 4.02Å; I170-F397 HydrophobicContact CG1-CD2 3.79Å; I170-F397 HydrophobicContact CG1-CE1 3.96Å; I170-F397 HydrophobicContact CG1-CE2 3.77Å; I170-F397 HydrophobicContact CG1-CG 3.93Å; I170-F397 HydrophobicContact CG1-CZ 3.85Å; I170-M428 HydrophobicContact CD1-CE 4.18Å; I170-M428 HydrophobicContact CD1-SD 3.88Å
171P98.1Very high96.3Very high5 Ų522.6 Ų22.63%0.03211%0.111CC..THydrogen-bonded Turntrans-57152.4173.4-21.233.5000111.8T202 R308 I312 M428 I430P171-T202 HydrophobicContact CB-CG2 4.37Å; P171-R308 HydrophobicContact CB-CB 4.32Å; P171-R308 HydrophobicContact CB-CG 3.85Å; P171-R308 HydrophobicContact CG-CB 3.62Å; P171-R308 HydrophobicContact CG-CG 3.5Å; P171-I312 HydrophobicContact CG-CG1 4.43Å; P171-M428 VanDerWaalsContact O-CE 3.3Å; P171-M428 WeakPolarHBondContact O-CE 3.46Å; P171-I430 HydrophobicContact CB-CD1 4.1Å; P171-I430 WeakPolarHBondContact O-CD1 3.23Å
172G98Very high96.2Very high0 Ų025.2 Ų25.20%013%0.129CC..THydrogen-bonded Turntrans81.319.8-174.900000114.4V163 F199 G200 S201 M428V163-G172 PolarHBondContact O-N 3.33Å; G172-F199 CarbonylContact O-C 3.24Å; G172-F199 WeakPolarHBondContact O-CA 3.43Å; G172-F199 WeakPolarHBondContact O-CB 3.47Å; G172-F199 PolarHBondContact O-N 3.49Å; G172-G200 PolarHBondContact O-N 3.39Å; G172-S201 VanDerWaalsContact CA-O 3.32Å; G172-S201 WeakPolarHBondContact CA-O 3.46Å; G172-M428 WeakPolarHBondContact O-CE 3.31Å
173T98.4Very high96.2Very high9 Ų924.2 Ų24.26%0.05512%0.123CC..EExtended strand (participates in β ladder)trans-130.4158.1-17969.90000111.1I170 V196 Y197 F397 M428I170-T173 HydrophobicContact CG1-CG2 3.83Å; I170-T173 WeakPolarHBondContact O-CB 3.42Å; I170-T173 WeakPolarHBondContact O-CG2 3.37Å; I170-T173 PolarHBondContact O-OG1 3.33Å; T173-V196 HydrophobicContact CG2-CG1 3.97Å; T173-Y197 WeakPolarHBondContact CA-O 3.46Å; T173-Y197 WeakPolarHBondContact CB-O 3.13Å; T173-F397 HydrophobicContact CG2-CE1 3.7Å; T173-F397 HydrophobicContact CG2-CE2 4.33Å; T173-F397 HydrophobicContact CG2-CZ 3.38Å; T173-M428 HydrophobicContact CG2-CE 4.15Å
174M98.5Very high96.1Very high1 Ų126.8 Ų26.81%0.00514%0.137CC..EExtended strand (participates in β ladder)trans-125.7144.3168.9-55.9173.168.300107.2E160 L161 V163 Y197 Y211 I214 T215 L218E160-M174 WeakPolarHBondContact O-CA 3.28Å; L161-M174 HydrophobicContact CB-CE 3.97Å; L161-M174 HydrophobicContact CD2-CE 3.52Å; L161-M174 HydrophobicContact CG-CE 4.3Å; V163-M174 HydrophobicContact CG1-CG 3.42Å; V163-M174 VanDerWaalsContact CG1-CG 3.42Å; V163-M174 HydrophobicContact CG1-SD 4.07Å; M174-Y197 PolarHBondContact N-O 2.9Å; M174-Y197 PolarHBondContact O-N 3.21Å; M174-Y211 HydrophobicContact CE-CD2 3.8Å; M174-Y211 HydrophobicContact CE-CE1 4.28Å; M174-Y211 HydrophobicContact CE-CE2 3.48Å; M174-Y211 VanDerWaalsContact CE-CE2 3.48Å; M174-Y211 HydrophobicContact CE-CG 4.33Å; M174-Y211 HydrophobicContact CG-CE2 4.44Å; M174-Y211 HydrophobicContact SD-CD2 3.46Å; M174-Y211 WeakPolarHBondContact SD-CD2 3.44Å; M174-Y211 HydrophobicContact SD-CE2 3.63Å; M174-Y211 HydrophobicContact SD-CG 4.2Å; M174-I214 HydrophobicContact CB-CG2 3.86Å; M174-I214 HydrophobicContact CE-CG2 4.41Å; M174-I214 HydrophobicContact CG-CG2 4.26Å; M174-I214 HydrophobicContact SD-CB 3.93Å; M174-I214 HydrophobicContact SD-CD1 4.42Å; M174-I214 HydrophobicContact SD-CG2 3.69Å; M174-T215 VanDerWaalsContact CE-OG1 3.24Å; M174-T215 WeakPolarHBondContact CE-OG1 3.31Å; M174-L218 HydrophobicContact CB-CD1 3.75Å
175G98Very high96Very high2 Ų226.8 Ų26.82%0.02114%0.136CC..EExtended strand (participates in β ladder)trans-165.4-179.7-172.800000115.5E160 L195E160-G175 PolarHBondContact N-O 2.96Å; E160-G175 PolarHBondContact O-N 2.94Å; G175-L195 CarbonylContact C-O 3.54Å; G175-L195 WeakPolarHBondContact CA-O 3.06Å
176A98.3Very high96Very high10 Ų1027.2 Ų27.28%0.08314%0.138CC..EExtended strand (participates in β ladder)trans-141.1144.4175.900000111.3T157 Y158 V159 L195 L218T157-A176 HydrophobicContact CG2-CB 3.86Å; Y158-A176 CarbonylContact O-C 3.5Å; Y158-A176 WeakPolarHBondContact O-CA 3.38Å; V159-A176 HydrophobicContact CG2-CB 4.24Å; A176-L195 HydrophobicContact CB-CB 4.49Å; A176-L195 PolarHBondContact N-O 3.33Å; A176-L195 PolarHBondContact O-N 2.86Å; A176-L218 HydrophobicContact CB-CD2 4.34Å
177L97.8Very high96.1Very high4 Ų432 Ų322%0.02116%0.157CC..EExtended strand (participates in β ladder)trans-130.3132.9179.4-176.366.3000109.9Y158 V168 I179 F189 P194Y158-L177 PolarHBondContact N-O 2.86Å; Y158-L177 PolarHBondContact O-N 3.13Å; V168-L177 HydrophobicContact CG1-CB 4.32Å; V168-L177 HydrophobicContact CG2-CB 4.2Å; L177-I179 HydrophobicContact CB-CD1 4.14Å; L177-I179 HydrophobicContact CD2-CD1 3.72Å; L177-I179 HydrophobicContact CG-CD1 3.76Å; L177-F189 HydrophobicContact CD2-CB 3.82Å; L177-P194 HydrophobicContact CD1-CB 4.2Å
178Y96.3Very high96.3Very high29 Ų2930.5 Ų30.511%0.11415%0.149CC..EExtended strand (participates in β ladder)trans-85.6118.6176.7-175.9-119.5000110.4R155 E180 R225 A232R155-Y178 HydrophobicContact CB-CE1 4.35Å; R155-Y178 HydrophobicContact CB-CE2 3.74Å; R155-Y178 WeakPolarHBondContact CB-OH 3.12Å; R155-Y178 WeakPolarHBondContact CD-OH 3.42Å; R155-Y178 VanDerWaalsContact O-CE2 3.24Å; R155-Y178 WeakPolarHBondContact O-CE2 3.16Å; Y178-E180 HydrophobicContact CD1-CG 3.48Å; Y178-E180 VanDerWaalsContact CD1-CG 3.48Å; Y178-E180 HydrophobicContact CE1-CG 3.49Å; Y178-E180 VanDerWaalsContact CE1-CG 3.49Å; Y178-R225 VanDerWaalsContact CD1-NH2 3.29Å; Y178-A232 HydrophobicContact CD2-CB 4.46Å; Y178-A232 HydrophobicContact CE2-CB 3.67Å
179I97.3Very high96.4Very high4 Ų431.8 Ų31.82%0.02115%0.154CC..  trans-95.8110.8-172.3-46.9-55.6000109.9L146 V150 R155 P156 L177 R181 F189L146-I179 HydrophobicContact CD1-CG1 4.37Å; L146-I179 HydrophobicContact CD2-CG1 4.07Å; V150-I179 HydrophobicContact CG2-CB 4.23Å; V150-I179 HydrophobicContact CG2-CG2 3.67Å; R155-I179 WeakPolarHBondContact CA-O 3.39Å; P156-I179 PolarHBondContact O-N 3.47Å; L177-I179 HydrophobicContact CB-CD1 4.14Å; L177-I179 HydrophobicContact CD2-CD1 3.72Å; L177-I179 HydrophobicContact CG-CD1 3.76Å; I179-R181 WeakPolarHBondContact CG2-O 3.42Å; I179-F189 HydrophobicContact CD1-CB 4.16Å; I179-F189 HydrophobicContact CD1-CD1 3.96Å; I179-F189 HydrophobicContact CD1-CD2 4.21Å; I179-F189 HydrophobicContact CD1-CE1 4.43Å; I179-F189 HydrophobicContact CD1-CG 3.85Å; I179-F189 HydrophobicContact CG2-CD1 3.63Å; I179-F189 HydrophobicContact CG2-CE1 3.53Å; I179-F189 HydrophobicContact CG2-CZ 4.4Å
180E94.6Very high96.2Very high77 Ų7735 Ų3536%0.3618%0.176SC..  trans-104.3-22-179.5-64.3-172.879.500113.9V150 R155 Y178V150-E180 WeakPolarHBondContact CG1-O 3.39Å; R155-E180 IonicContact CZ-OE1 3.59Å; R155-E180 VanDerWaalsContact CZ-OE1 3.25Å; R155-E180 IonicContact NH1-OE1 3.9Å; R155-E180 PolarHBondContact NH1-OE1 2.71Å; R155-E180 IonicContact NH2-OE1 3.83Å; Y178-E180 HydrophobicContact CD1-CG 3.48Å; Y178-E180 VanDerWaalsContact CD1-CG 3.48Å; Y178-E180 HydrophobicContact CE1-CG 3.49Å; Y178-E180 VanDerWaalsContact CE1-CG 3.49Å
181R95.9Very high95.9Very high195 Ų19538.8 Ų38.874%0.73620%0.196SC*.SBendtrans-138.2153.9-177.2-59.5-176.7-165179.54.5109.5I179I179-R181 WeakPolarHBondContact CG2-O 3.42Å
182P96.3Very high95.5Very high57 Ų5744.4 Ų44.437%0.3722%0.222SC..PPolyproline II helixtrans-54.8149.1171-23.134.9000110.6N147 V150 R151 D184N147-P182 VanDerWaalsContact OD1-CA 3.24Å; N147-P182 WeakPolarHBondContact OD1-CA 3.41Å; V150-P182 HydrophobicContact CG1-CG 4.34Å; R151-P182 HydrophobicContact CG-CG 4.29Å; P182-D184 PolarHBondContact O-N 2.9Å
183A96.9Very high95.2Very high1 Ų149.1 Ų49.11%0.00826%0.26CS..PPolyproline II helixtrans-56.2137.7172.600000110.2T58 R143 N147 G188 F189T58-A183 WeakPolarHBondContact CB-O 3.21Å; T58-A183 WeakPolarHBondContact CG2-O 3.41Å; T58-A183 PolarHBondContact OG1-O 3.15Å; R143-A183 HydrophobicContact CG-CB 4.43Å; N147-A183 PolarHBondContact OD1-N 2.61Å; A183-G188 CarbonylContact C-O 3.52Å; A183-G188 WeakPolarHBondContact CA-O 3.46Å; A183-F189 HydrophobicContact CB-CD1 3.65Å; A183-F189 HydrophobicContact CB-CE1 3.66Å; A183-F189 HydrophobicContact CB-CG 4.09Å; A183-F189 HydrophobicContact CB-CZ 4.11Å
184D96.2Very high95.1Very high54 Ų5450.7 Ų50.729%0.28927%0.271SS..BIsolated β-bridgetrans-61.2145.7163.9-177-90.7000109.6R143 P182 E186 E187 G188R143-D184 PolarHBondContact NH2-O 3.49Å; P182-D184 PolarHBondContact O-N 2.9Å; D184-E186 VanDerWaalsContact C-N 3.34Å; D184-E186 PolarHBondContact O-N 3.05Å; D184-E186 WeakPolarHBondContact OD1-CA 3.38Å; D184-E186 PolarHBondContact OD1-N 3.27Å; D184-E187 HydrophobicContact CB-CB 4.12Å; D184-E187 PolarHBondContact OD1-N 2.95Å; D184-G188 PolarHBondContact N-O 3.49Å; D184-G188 WeakPolarHBondContact O-CA 3.48Å; D184-G188 PolarHBondContact O-N 3.28Å
185V95.1Very high95.1Very high8 Ų852.6 Ų52.65%0.04828%0.281CS..THydrogen-bonded Turntrans-62.6-42.2-175.5171.40000111.4I55 T58 L60 F66 F68I55-V185 HydrophobicContact CD1-CG1 3.69Å; T58-V185 HydrophobicContact CG2-CG2 3.73Å; L60-V185 HydrophobicContact CD2-CG1 4.25Å; L60-V185 HydrophobicContact CD2-CG2 3.64Å; F66-V185 HydrophobicContact CB-CG1 4.11Å; F66-V185 HydrophobicContact CD1-CB 3.56Å; F66-V185 HydrophobicContact CD1-CG1 3.68Å; F66-V185 HydrophobicContact CD1-CG2 4.01Å; F66-V185 HydrophobicContact CE1-CB 3.68Å; F66-V185 HydrophobicContact CE1-CG1 4.19Å; F66-V185 HydrophobicContact CE1-CG2 3.63Å; F66-V185 HydrophobicContact CG-CB 4.28Å; F66-V185 HydrophobicContact CG-CG1 3.9Å; F66-V185 HydrophobicContact CZ-CG2 4.07Å; F68-V185 HydrophobicContact CE1-CG1 4.14Å; F68-V185 HydrophobicContact CZ-CG1 3.57Å
186E93.2Very high95.1Very high47 Ų4752.8 Ų52.822%0.2228%0.281CS..THydrogen-bonded Turntrans-87.5-48.7-177.6-63.7173.797.400110.6F66 T67 D184 F319 R320F66-E186 HydrophobicContact CB-CG 4.31Å; F66-E186 HydrophobicContact CD1-CG 4.41Å; T67-E186 WeakPolarHBondContact CA-OE1 3.24Å; T67-E186 WeakPolarHBondContact CB-OE1 3.05Å; T67-E186 PolarHBondContact N-OE1 2.79Å; D184-E186 VanDerWaalsContact C-N 3.34Å; D184-E186 PolarHBondContact O-N 3.05Å; D184-E186 WeakPolarHBondContact OD1-CA 3.38Å; D184-E186 PolarHBondContact OD1-N 3.27Å; E186-F319 HydrophobicContact CB-CE1 4.26Å; E186-F319 HydrophobicContact CB-CZ 3.77Å; E186-R320 IonicContact OE1-CZ 3.13Å; E186-R320 VanDerWaalsContact OE1-CZ 3.32Å; E186-R320 IonicContact OE1-NH1 2.99Å; E186-R320 PolarHBondContact OE1-NH1 2.92Å; E186-R320 IonicContact OE1-NH2 2.71Å; E186-R320 PolarHBondContact OE1-NH2 3.4Å
187E91.7Very high95.1Very high109 Ų10952.6 Ų52.651%0.50928%0.279SS..THydrogen-bonded Turntrans-87-25.2-170.2-56.8-176.1-166.100114D184 F319D184-E187 HydrophobicContact CB-CB 4.12Å; D184-E187 PolarHBondContact OD1-N 2.95Å; E187-F319 HydrophobicContact CG-CB 4.13Å; E187-F319 HydrophobicContact CG-CD1 3.44Å; E187-F319 VanDerWaalsContact CG-CD1 3.44Å; E187-F319 HydrophobicContact CG-CD2 4.04Å; E187-F319 HydrophobicContact CG-CE1 3.74Å; E187-F319 HydrophobicContact CG-CE2 4.32Å; E187-F319 HydrophobicContact CG-CG 3.6Å; E187-F319 HydrophobicContact CG-CZ 4.19Å; E187-F319 WeakPolarHBondContact OE1-CD1 3.33Å
188G94.2Very high95.1Very high10 Ų1052.7 Ų52.710%0.10328%0.279CS..BIsolated β-bridgetrans85.9-151.3-170.200000112.9A183 D184A183-G188 CarbonylContact C-O 3.52Å; A183-G188 WeakPolarHBondContact CA-O 3.46Å; D184-G188 PolarHBondContact N-O 3.49Å; D184-G188 WeakPolarHBondContact O-CA 3.48Å; D184-G188 PolarHBondContact O-N 3.28Å
189F95.4Very high95.2Very high30 Ų3051.7 Ų51.713%0.13228%0.275CS..SBendtrans-72.1137.6-178.7-68.1-63.5000111.3R143 L146 N147 L177 I179 A183 I191R143-F189 HydrophobicContact CB-CE2 4.22Å; R143-F189 HydrophobicContact CB-CZ 4.47Å; R143-F189 HydrophobicContact CG-CE2 4Å; R143-F189 HydrophobicContact CG-CZ 4.02Å; L146-F189 HydrophobicContact CB-CE1 4.31Å; L146-F189 HydrophobicContact CB-CE2 4.36Å; L146-F189 HydrophobicContact CB-CZ 3.63Å; L146-F189 HydrophobicContact CD1-CE2 3.71Å; L146-F189 HydrophobicContact CD1-CZ 3.84Å; L146-F189 HydrophobicContact CG-CZ 4.42Å; N147-F189 WeakPolarHBondContact OD1-CE1 2.78Å; L177-F189 HydrophobicContact CD2-CB 3.82Å; I179-F189 HydrophobicContact CD1-CB 4.16Å; I179-F189 HydrophobicContact CD1-CD1 3.96Å; I179-F189 HydrophobicContact CD1-CD2 4.21Å; I179-F189 HydrophobicContact CD1-CE1 4.43Å; I179-F189 HydrophobicContact CD1-CG 3.85Å; I179-F189 HydrophobicContact CG2-CD1 3.63Å; I179-F189 HydrophobicContact CG2-CE1 3.53Å; I179-F189 HydrophobicContact CG2-CZ 4.4Å; A183-F189 HydrophobicContact CB-CD1 3.65Å; A183-F189 HydrophobicContact CB-CE1 3.66Å; A183-F189 HydrophobicContact CB-CG 4.09Å; A183-F189 HydrophobicContact CB-CZ 4.11Å; F189-I191 PolarHBondContact O-N 3.4Å
190S92.9Very high95.1Very high81 Ų8151.8 Ų51.857%0.56628%0.277SS*.  trans-64.2117.9173.7-170.60000110.4Q192S190-Q192 PolarHBondContact O-N 2.95Å; S190-Q192 PolarHBondContact OG-NE2 2.83Å
191I91.8Very high95.2Very high82 Ų8248.6 Ų48.642%0.42126%0.263SS..  trans-83.481.2-177.7-53.8178.3000109F189 P194F189-I191 PolarHBondContact O-N 3.4Å; I191-P194 HydrophobicContact CG2-CB 4.09Å; I191-P194 HydrophobicContact CG2-CG 3.6Å
192Q89.4Confident95.2Very high123 Ų12341.9 Ų41.958%0.57524%0.244SC*.  trans-105.5116.8176.9-65.1-174.7-5.300110.6S190S190-Q192 PolarHBondContact O-N 2.95Å; S190-Q192 PolarHBondContact OG-NE2 2.83Å
193A91.4Very high95.2Very high98 Ų9842.3 Ų42.381%0.8125%0.245SC*.SBendtrans45.756.6179.600000113.7
194P96.3Very high95.1Very high43 Ų4342.6 Ų42.628%0.27925%0.247SC..  trans-65.4147.2176.832.2-37.3000110.6V168 L177 I191 V196V168-P194 HydrophobicContact CG1-CB 3.93Å; L177-P194 HydrophobicContact CD1-CB 4.2Å; I191-P194 HydrophobicContact CG2-CB 4.09Å; I191-P194 HydrophobicContact CG2-CG 3.6Å; P194-V196 HydrophobicContact CB-CG2 3.84Å; P194-V196 HydrophobicContact CG-CG2 3.94Å
195L97.6Very high94.9Very high41 Ų4142.1 Ų42.122%0.21526%0.255CS..EExtended strand (participates in β ladder)trans-86.8118.1165.617764.1000107.9G175 A176 Y197 L218 V221G175-L195 CarbonylContact C-O 3.54Å; G175-L195 WeakPolarHBondContact CA-O 3.06Å; A176-L195 HydrophobicContact CB-CB 4.49Å; A176-L195 PolarHBondContact N-O 3.33Å; A176-L195 PolarHBondContact O-N 2.86Å; L195-Y197 HydrophobicContact CD1-CE2 3.85Å; L195-Y197 HydrophobicContact CD2-CE2 3.91Å; L195-Y197 HydrophobicContact CG-CD2 4.44Å; L195-Y197 HydrophobicContact CG-CE2 3.69Å; L195-L218 HydrophobicContact CD2-CD2 3.89Å; L195-L218 HydrophobicContact CG-CD2 4.19Å; L195-V221 HydrophobicContact CD2-CB 3.95Å; L195-V221 HydrophobicContact CD2-CG1 3.47Å; L195-V221 VanDerWaalsContact CD2-CG1 3.47Å
196V98.3Very high94.9Very high5 Ų545.4 Ų45.43%0.0328%0.275CS..EExtended strand (participates in β ladder)trans-131.3139.6-175.3-173.50000110.2V168 T173 P194 S393 V394 F397V168-V196 HydrophobicContact CG1-CG2 4.5Å; T173-V196 HydrophobicContact CG2-CG1 3.97Å; P194-V196 HydrophobicContact CB-CG2 3.84Å; P194-V196 HydrophobicContact CG-CG2 3.94Å; V196-S393 CarbonylContact O-C 3.54Å; V196-S393 VanDerWaalsContact O-CA 3.23Å; V196-S393 WeakPolarHBondContact O-CA 3.38Å; V196-S393 WeakPolarHBondContact O-CB 3.27Å; V196-V394 HydrophobicContact CB-CG2 3.86Å; V196-V394 HydrophobicContact CG1-CG2 3.83Å; V196-V394 PolarHBondContact O-N 3.3Å; V196-F397 HydrophobicContact CG1-CE2 4.33Å; V196-F397 HydrophobicContact CG1-CZ 3.89Å
197Y98.4Very high94.9Very high6 Ų643.8 Ų43.82%0.02427%0.268CS..EExtended strand (participates in β ladder)trans-120.6143.9175.3-69.7-85.5000111.1T173 M174 L195 F199 I214 R217 L218 E391 T392T173-Y197 WeakPolarHBondContact CA-O 3.46Å; T173-Y197 WeakPolarHBondContact CB-O 3.13Å; M174-Y197 PolarHBondContact N-O 2.9Å; M174-Y197 PolarHBondContact O-N 3.21Å; L195-Y197 HydrophobicContact CD1-CE2 3.85Å; L195-Y197 HydrophobicContact CD2-CE2 3.91Å; L195-Y197 HydrophobicContact CG-CD2 4.44Å; L195-Y197 HydrophobicContact CG-CE2 3.69Å; Y197-F199 PolarHBondContact O-N 3.24Å; Y197-I214 HydrophobicContact CD2-CG2 4.28Å; Y197-I214 HydrophobicContact CG-CG2 3.93Å; Y197-R217 HydrophobicContact CE1-CG 3.88Å; Y197-L218 HydrophobicContact CD2-CD1 4.3Å; Y197-L218 HydrophobicContact CD2-CD2 3.6Å; Y197-L218 HydrophobicContact CD2-CG 3.64Å; Y197-L218 HydrophobicContact CE2-CD2 3.52Å; Y197-L218 HydrophobicContact CE2-CG 3.74Å; Y197-E391 VanDerWaalsContact CE1-O 3.25Å; Y197-E391 WeakPolarHBondContact CE1-O 3.44Å; Y197-T392 WeakPolarHBondContact CD1-O 3.48Å
198H97.9Very high95.1Very high6 Ų640.5 Ų40.53%0.02825%0.254CS..EExtended strand (participates in β ladder)trans-73.3123173.2172.594.4000110.5I214 S378 V394 L426 I427H198-I214 WeakPolarHBondContact O-CD1 3.42Å; H198-S378 PolarHBondContact ND1-OG 3.44Å; H198-V394 HydrophobicContact CB-CG1 4.05Å; H198-L426 HydrophobicContact CB-CB 4.47Å; H198-L426 HydrophobicContact CB-CD1 3.58Å; H198-I427 PolarHBondContact CE1-O 2.9Å
199F97.9Very high95Very high9 Ų942.9 Ų42.94%0.03926%0.261CS..  trans-110.2-35.1162.8174.7-105.7000111.8V163 G172 Y197 S201 T203 N207 L210 Y211 I214V163-F199 HydrophobicContact CB-CD1 3.78Å; V163-F199 HydrophobicContact CB-CE1 4.28Å; V163-F199 HydrophobicContact CG1-CB 4Å; V163-F199 HydrophobicContact CG1-CD1 3.54Å; V163-F199 HydrophobicContact CG1-CE1 4.23Å; V163-F199 HydrophobicContact CG1-CG 3.85Å; V163-F199 HydrophobicContact CG2-CD1 3.93Å; V163-F199 HydrophobicContact CG2-CE1 3.9Å; G172-F199 CarbonylContact O-C 3.24Å; G172-F199 WeakPolarHBondContact O-CA 3.43Å; G172-F199 WeakPolarHBondContact O-CB 3.47Å; G172-F199 PolarHBondContact O-N 3.49Å; Y197-F199 PolarHBondContact O-N 3.24Å; F199-S201 WeakPolarHBondContact CD1-O 3.11Å; F199-S201 WeakPolarHBondContact CE1-O 3.26Å; F199-S201 PolarHBondContact O-N 2.92Å; F199-T203 VanDerWaalsContact CE1-O 3.27Å; F199-T203 WeakPolarHBondContact CE1-O 3.3Å; F199-T203 WeakPolarHBondContact CZ-O 2.84Å; F199-N207 HydrophobicContact CE2-CB 4.27Å; F199-N207 WeakPolarHBondContact CE2-O 3.45Å; F199-L210 HydrophobicContact CD2-CB 4.49Å; F199-L210 HydrophobicContact CD2-CD2 4Å; F199-L210 HydrophobicContact CD2-CG 4.06Å; F199-L210 HydrophobicContact CE2-CB 4.39Å; F199-L210 HydrophobicContact CE2-CD2 4.38Å; F199-L210 HydrophobicContact CE2-CG 4.44Å; F199-Y211 HydrophobicContact CE2-CD2 4.43Å; F199-I214 HydrophobicContact CB-CD1 4.01Å; F199-I214 HydrophobicContact CD2-CD1 4.17Å
200G96.4Very high95Very high5 Ų541.5 Ų41.55%0.05226%0.255CS..  trans87.8-9.3169.200000116.1G172 D429G172-G200 PolarHBondContact O-N 3.39Å; G200-D429 PolarHBondContact O-N 3.37Å
201S96.5Very high95.3Very high11 Ų1137.9 Ų37.98%0.07723%0.229CC..SBendtrans-131.9155.7179.6172.50000112.8G172 F199 T203 T206G172-S201 VanDerWaalsContact CA-O 3.32Å; G172-S201 WeakPolarHBondContact CA-O 3.46Å; F199-S201 WeakPolarHBondContact CD1-O 3.11Å; F199-S201 WeakPolarHBondContact CE1-O 3.26Å; F199-S201 PolarHBondContact O-N 2.92Å; S201-T203 VanDerWaalsContact C-N 3.28Å; S201-T203 PolarHBondContact O-N 3.35Å; S201-T203 PolarHBondContact OG-N 3.07Å; S201-T206 WeakPolarHBondContact OG-CB 3.06Å; S201-T206 PolarHBondContact OG-OG1 3.4Å
202T96.3Very high95.5Very high53 Ų5335.7 Ų35.733%0.32522%0.218SC..SBendtrans-83.8-0.4179.557.50000114G164 P171 I430G164-T202 VanDerWaalsContact CA-O 3.3Å; G164-T202 WeakPolarHBondContact CA-O 3.37Å; P171-T202 HydrophobicContact CB-CG2 4.37Å; T202-I430 HydrophobicContact CG2-CD1 3.74Å; T202-I430 HydrophobicContact CG2-CG1 3.98Å
203T94.5Very high95.9Very high66 Ų6633.5 Ų33.541%0.40521%0.207SC..SBendtrans-135.5130.7177.9-179.60000111.6F199 S201 G205 T206F199-T203 VanDerWaalsContact CE1-O 3.27Å; F199-T203 WeakPolarHBondContact CE1-O 3.3Å; F199-T203 WeakPolarHBondContact CZ-O 2.84Å; S201-T203 VanDerWaalsContact C-N 3.28Å; S201-T203 PolarHBondContact O-N 3.35Å; S201-T203 PolarHBondContact OG-N 3.07Å; T203-G205 PolarHBondContact O-N 2.7Å; T203-G205 VanDerWaalsContact O-N 3.12Å; T203-G205 PolarHBondContact OG1-N 3.32Å; T203-T206 VanDerWaalsContact CG2-OG1 3.23Å; T203-T206 WeakPolarHBondContact CG2-OG1 3.13Å; T203-T206 PolarHBondContact O-N 2.88Å; T203-T206 PolarHBondContact O-OG1 3.38Å
204P94.8Very high96.2Very high7 Ų728.9 Ų28.95%0.04517%0.168CC..G310 helixtrans-57.3-28.4177-24.233.7000113.3V163 T206 N207 I208 Y211 C242 W244V163-P204 HydrophobicContact CG2-CG 3.9Å; P204-T206 PolarHBondContact O-N 3.13Å; P204-T206 VanDerWaalsContact O-N 3.16Å; P204-N207 CarbonylContact O-C 3.58Å; P204-N207 PolarHBondContact O-N 3.4Å; P204-I208 HydrophobicContact CB-CD1 4.28Å; P204-I208 PolarHBondContact O-N 2.95Å; P204-Y211 HydrophobicContact CB-CD1 4.3Å; P204-Y211 HydrophobicContact CB-CD2 3.71Å; P204-Y211 HydrophobicContact CB-CE2 3.94Å; P204-Y211 HydrophobicContact CB-CG 3.89Å; P204-Y211 HydrophobicContact CG-CD2 3.98Å; P204-Y211 HydrophobicContact CG-CE2 3.73Å; P204-C242 HydrophobicContact CG-CB 4.24Å; P204-W244 HydrophobicContact CB-CE3 4.06Å; P204-W244 HydrophobicContact CB-CZ3 4.18Å
205G93.9Very high96.3Very high44 Ų4426.8 Ų26.845%0.45416%0.155SC..G310 helixtrans-63.1-18.6-178.500000114.6T203 N207T203-G205 PolarHBondContact O-N 2.7Å; T203-G205 VanDerWaalsContact O-N 3.12Å; T203-G205 PolarHBondContact OG1-N 3.32Å; G205-N207 VanDerWaalsContact C-N 3.27Å; G205-N207 PolarHBondContact O-N 2.69Å
206T93.6Very high96.3Very high77 Ų7726.5 Ų26.547%0.47216%0.157SC..G310 helixtrans-63.3-35.2175.3-53.50000111.8S201 T203 P204S201-T206 WeakPolarHBondContact OG-CB 3.06Å; S201-T206 PolarHBondContact OG-OG1 3.4Å; T203-T206 VanDerWaalsContact CG2-OG1 3.23Å; T203-T206 WeakPolarHBondContact CG2-OG1 3.13Å; T203-T206 PolarHBondContact O-N 2.88Å; T203-T206 PolarHBondContact O-OG1 3.38Å; P204-T206 PolarHBondContact O-N 3.13Å; P204-T206 VanDerWaalsContact O-N 3.16Å
207N94.3Very high96.3Very high14 Ų1430.2 Ų30.28%0.07517%0.17CC..  trans-158.580.6179.2-168-21.1000110.9F199 P204 G205 K209 L210 Y211 Q360F199-N207 HydrophobicContact CE2-CB 4.27Å; F199-N207 WeakPolarHBondContact CE2-O 3.45Å; P204-N207 CarbonylContact O-C 3.58Å; P204-N207 PolarHBondContact O-N 3.4Å; G205-N207 VanDerWaalsContact C-N 3.27Å; G205-N207 PolarHBondContact O-N 2.69Å; N207-K209 PolarHBondContact O-N 2.71Å; N207-L210 HydrophobicContact CB-CB 4Å; N207-L210 PolarHBondContact O-N 3.48Å; N207-L210 WeakPolarHBondContact OD1-CB 3.22Å; N207-L210 PolarHBondContact OD1-N 3.22Å; N207-L210 VanDerWaalsContact OD1-N 3.07Å; N207-Y211 PolarHBondContact O-N 2.91Å; N207-Q360 PolarHBondContact ND2-O 2.84Å
208I94.6Very high96.3Very high39 Ų3930 Ų3020%0.217%0.169CC..Hα-helixtrans-64.3-30.5-174-162.957.3000113P204 Y211 N212 W244 A252P204-I208 HydrophobicContact CB-CD1 4.28Å; P204-I208 PolarHBondContact O-N 2.95Å; I208-Y211 HydrophobicContact CD1-CD1 4.21Å; I208-Y211 PolarHBondContact O-N 2.98Å; I208-N212 PolarHBondContact O-N 3.12Å; I208-W244 HydrophobicContact CD1-CZ3 3.91Å; I208-A252 HydrophobicContact CD1-CB 3.91Å
209K93.8Very high96.3Very high60 Ų6029.8 Ų29.826%0.26117%0.168SC..Hα-helixtrans-65.6-46.8175.5-75.5-166.9-175-164.20111.5N207 Y211 N212 K213 E357 Q360 L361N207-K209 PolarHBondContact O-N 2.71Å; K209-Y211 VanDerWaalsContact C-N 3.32Å; K209-Y211 PolarHBondContact O-N 3.35Å; K209-N212 PolarHBondContact O-N 3.08Å; K209-K213 WeakPolarHBondContact O-CB 3.45Å; K209-K213 PolarHBondContact O-N 3.11Å; K209-E357 VanDerWaalsContact CE-OE2 3.3Å; K209-E357 WeakPolarHBondContact CE-OE2 3.27Å; K209-E357 VanDerWaalsContact NZ-CG 3.28Å; K209-E357 PolarHBondContact NZ-O 3.23Å; K209-E357 IonicContact NZ-OE2 3.37Å; K209-E357 PolarHBondContact NZ-OE2 3.11Å; K209-Q360 HydrophobicContact CB-CB 4.43Å; K209-Q360 HydrophobicContact CD-CB 4.3Å; K209-L361 HydrophobicContact CB-CD2 4.22Å; K209-L361 HydrophobicContact CB-CG 4.45Å
210L95.4Very high96.3Very high2 Ų232.9 Ų32.91%0.0119%0.185CC..Hα-helixtrans-61.1-43.3175.2-179.861.1000111.1F199 N207 N212 K213 I214 V340 L361F199-L210 HydrophobicContact CD2-CB 4.49Å; F199-L210 HydrophobicContact CD2-CD2 4Å; F199-L210 HydrophobicContact CD2-CG 4.06Å; F199-L210 HydrophobicContact CE2-CB 4.39Å; F199-L210 HydrophobicContact CE2-CD2 4.38Å; F199-L210 HydrophobicContact CE2-CG 4.44Å; N207-L210 HydrophobicContact CB-CB 4Å; N207-L210 PolarHBondContact O-N 3.48Å; N207-L210 WeakPolarHBondContact OD1-CB 3.22Å; N207-L210 PolarHBondContact OD1-N 3.22Å; N207-L210 VanDerWaalsContact OD1-N 3.07Å; L210-N212 PolarHBondContact O-N 3.47Å; L210-K213 PolarHBondContact O-N 2.88Å; L210-I214 HydrophobicContact CD1-CD1 3.84Å; L210-I214 HydrophobicContact CD1-CG1 4.03Å; L210-I214 HydrophobicContact CD2-CD1 4.42Å; L210-I214 HydrophobicContact CG-CD1 3.73Å; L210-I214 HydrophobicContact CG-CG1 4.36Å; L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.24Å; L210-I214 PolarHBondContact O-N 3.43Å; L210-V340 HydrophobicContact CD1-CG1 3.9Å; L210-V340 HydrophobicContact CD2-CB 3.92Å; L210-V340 HydrophobicContact CD2-CG1 3.65Å; L210-V340 HydrophobicContact CG-CG1 4.33Å; L210-L361 HydrophobicContact CB-CD2 3.95Å; L210-L361 HydrophobicContact CD1-CD2 4.18Å
211Y97.5Very high96.3Very high5 Ų534.2 Ų34.22%0.0219%0.192CC..Hα-helixtrans-56.4-49.7176.5-175.8-94.3000112.2L161 V163 M174 F199 P204 N207 I208 K209 K213 I214 T215 A252L161-Y211 WeakPolarHBondContact CB-OH 3.36Å; L161-Y211 VanDerWaalsContact O-CE2 3.26Å; L161-Y211 WeakPolarHBondContact O-CE2 3.38Å; L161-Y211 PolarHBondContact O-OH 3.16Å; V163-Y211 HydrophobicContact CG1-CD2 4.14Å; V163-Y211 HydrophobicContact CG1-CE2 3.98Å; M174-Y211 HydrophobicContact CE-CD2 3.8Å; M174-Y211 HydrophobicContact CE-CE1 4.28Å; M174-Y211 HydrophobicContact CE-CE2 3.48Å; M174-Y211 VanDerWaalsContact CE-CE2 3.48Å; M174-Y211 HydrophobicContact CE-CG 4.33Å; M174-Y211 HydrophobicContact CG-CE2 4.44Å; M174-Y211 HydrophobicContact SD-CD2 3.46Å; M174-Y211 WeakPolarHBondContact SD-CD2 3.44Å; M174-Y211 HydrophobicContact SD-CE2 3.63Å; M174-Y211 HydrophobicContact SD-CG 4.2Å; F199-Y211 HydrophobicContact CE2-CD2 4.43Å; P204-Y211 HydrophobicContact CB-CD1 4.3Å; P204-Y211 HydrophobicContact CB-CD2 3.71Å; P204-Y211 HydrophobicContact CB-CE2 3.94Å; P204-Y211 HydrophobicContact CB-CG 3.89Å; P204-Y211 HydrophobicContact CG-CD2 3.98Å; P204-Y211 HydrophobicContact CG-CE2 3.73Å; N207-Y211 PolarHBondContact O-N 2.91Å; I208-Y211 HydrophobicContact CD1-CD1 4.21Å; I208-Y211 PolarHBondContact O-N 2.98Å; K209-Y211 VanDerWaalsContact C-N 3.32Å; K209-Y211 PolarHBondContact O-N 3.35Å; Y211-K213 VanDerWaalsContact C-N 3.35Å; Y211-K213 PolarHBondContact O-N 3.5Å; Y211-I214 PolarHBondContact O-N 3.37Å; Y211-T215 WeakPolarHBondContact O-CB 3.39Å; Y211-T215 PolarHBondContact O-N 3.07Å; Y211-T215 PolarHBondContact O-OG1 3.05Å; Y211-A252 HydrophobicContact CD1-CB 4.15Å; Y211-A252 HydrophobicContact CE1-CB 4.01Å
212N97.4Very high96.4Very high35 Ų3534.1 Ų34.119%0.18719%0.191CC..Hα-helixtrans-65.9-38177.8-75.1-8.3000112.1I208 K209 L210 T215 S216 H255I208-N212 PolarHBondContact O-N 3.12Å; K209-N212 PolarHBondContact O-N 3.08Å; L210-N212 PolarHBondContact O-N 3.47Å; N212-T215 WeakPolarHBondContact O-CB 3.46Å; N212-T215 PolarHBondContact O-N 3.23Å; N212-S216 PolarHBondContact O-N 3.18Å; N212-S216 PolarHBondContact O-OG 2.8Å; N212-H255 PolarHBondContact O-NE2 3.02Å
213K96.4Very high96.4Very high78 Ų7833 Ų3334%0.33918%0.183SC..Hα-helixtrans-63.9-45.3177.9-172.770.2-178.3176.70111.8K209 L210 Y211 T215 S216 R217 E391K209-K213 WeakPolarHBondContact O-CB 3.45Å; K209-K213 PolarHBondContact O-N 3.11Å; L210-K213 PolarHBondContact O-N 2.88Å; Y211-K213 VanDerWaalsContact C-N 3.35Å; Y211-K213 PolarHBondContact O-N 3.5Å; K213-T215 VanDerWaalsContact C-N 3.34Å; K213-S216 PolarHBondContact O-N 3.34Å; K213-R217 PolarHBondContact O-N 3.5Å; K213-E391 WeakPolarHBondContact CE-OE1 3Å; K213-E391 WeakPolarHBondContact CE-OE2 3.09Å; K213-E391 HydrophobicContact CG-CG 4.22Å; K213-E391 IonicContact NZ-OE1 2.66Å; K213-E391 PolarHBondContact NZ-OE1 2.83Å; K213-E391 IonicContact NZ-OE2 3.75Å; K213-E391 PolarHBondContact NZ-OE2 2.91Å; K213-E391 VanDerWaalsContact NZ-OE2 3.16Å
214I97.8Very high96.5Very high0 Ų034.7 Ų34.70%019%0.186CC..Hα-helixtrans-64.8-39.3174.1-65.4165.1000110.8M174 Y197 H198 F199 L210 Y211 S216 R217 L218M174-I214 HydrophobicContact CB-CG2 3.86Å; M174-I214 HydrophobicContact CE-CG2 4.41Å; M174-I214 HydrophobicContact CG-CG2 4.26Å; M174-I214 HydrophobicContact SD-CB 3.93Å; M174-I214 HydrophobicContact SD-CD1 4.42Å; M174-I214 HydrophobicContact SD-CG2 3.69Å; Y197-I214 HydrophobicContact CD2-CG2 4.28Å; Y197-I214 HydrophobicContact CG-CG2 3.93Å; H198-I214 WeakPolarHBondContact O-CD1 3.42Å; F199-I214 HydrophobicContact CB-CD1 4.01Å; F199-I214 HydrophobicContact CD2-CD1 4.17Å; L210-I214 HydrophobicContact CD1-CD1 3.84Å; L210-I214 HydrophobicContact CD1-CG1 4.03Å; L210-I214 HydrophobicContact CD2-CD1 4.42Å; L210-I214 HydrophobicContact CG-CD1 3.73Å; L210-I214 HydrophobicContact CG-CG1 4.36Å; L210-I214 VanDerWaalsContact O-CG1 3.3Å; L210-I214 WeakPolarHBondContact O-CG1 3.24Å; L210-I214 PolarHBondContact O-N 3.43Å; Y211-I214 PolarHBondContact O-N 3.37Å; I214-S216 PolarHBondContact O-N 2.76Å; I214-R217 PolarHBondContact O-N 2.69Å; I214-L218 HydrophobicContact CG2-CD1 4.07Å; I214-L218 HydrophobicContact CG2-CG 4.48Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 PolarHBondContact O-N 2.86Å
215T98.5Very high96.5Very high0 Ų038.6 Ų38.60%020%0.2CC..Hα-helixtrans-58-48.5175.8-57.50000111.4L161 M174 Y211 N212 K213 L218 A219 A256 F260L161-T215 HydrophobicContact CD1-CG2 4.17Å; L161-T215 HydrophobicContact CD2-CG2 4.47Å; M174-T215 VanDerWaalsContact CE-OG1 3.24Å; M174-T215 WeakPolarHBondContact CE-OG1 3.31Å; Y211-T215 WeakPolarHBondContact O-CB 3.39Å; Y211-T215 PolarHBondContact O-N 3.07Å; Y211-T215 PolarHBondContact O-OG1 3.05Å; N212-T215 WeakPolarHBondContact O-CB 3.46Å; N212-T215 PolarHBondContact O-N 3.23Å; K213-T215 VanDerWaalsContact C-N 3.34Å; T215-L218 PolarHBondContact O-N 2.78Å; T215-A219 PolarHBondContact O-N 3.36Å; T215-A256 HydrophobicContact CG2-CB 3.82Å; T215-F260 HydrophobicContact CG2-CD2 4.31Å; T215-F260 HydrophobicContact CG2-CE2 3.88Å
216S98.3Very high96.5Very high35 Ų3537.1 Ų37.125%0.24518%0.182CC..Hα-helixtrans-61-44.8175.6-64.60000111.6N212 K213 I214 L218 A219 D220 H255N212-S216 PolarHBondContact O-N 3.18Å; N212-S216 PolarHBondContact O-OG 2.8Å; K213-S216 PolarHBondContact O-N 3.34Å; I214-S216 PolarHBondContact O-N 2.76Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.33Å; S216-A219 WeakPolarHBondContact O-CB 3.37Å; S216-A219 PolarHBondContact O-N 3.47Å; S216-A219 VanDerWaalsContact O-N 3.13Å; S216-D220 VanDerWaalsContact O-CG 3.3Å; S216-D220 PolarHBondContact O-N 2.85Å; S216-H255 PolarHBondContact OG-CE1 2.79Å; S216-H255 VanDerWaalsContact OG-CE1 3.28Å; S216-H255 PolarHBondContact OG-NE2 2.81Å
217R97.8Very high96.6Very high82 Ų8241 Ų4131%0.30920%0.195SC..Hα-helixtrans-62.2-40.6179.1-173.859.6174.8162.52.7112.8Y197 K213 I214 A219 D220 V221 E391Y197-R217 HydrophobicContact CE1-CG 3.88Å; K213-R217 PolarHBondContact O-N 3.5Å; I214-R217 PolarHBondContact O-N 2.69Å; R217-A219 VanDerWaalsContact C-N 3.34Å; R217-D220 PolarHBondContact O-N 3.39Å; R217-V221 WeakPolarHBondContact O-CG2 3.41Å; R217-V221 PolarHBondContact O-N 2.8Å; R217-V221 VanDerWaalsContact O-N 3.09Å; R217-E391 HydrophobicContact CG-CB 4.31Å; R217-E391 PolarHBondContact NE-O 2.92Å
218L98Very high96.7Very high3 Ų346.5 Ų46.52%0.01623%0.229CC..Hα-helixtrans-61.4-42.6173.7-86.1166.1000111.6L161 M174 A176 L195 Y197 I214 T215 S216 F222 F260L161-L218 HydrophobicContact CD2-CD1 4.02Å; M174-L218 HydrophobicContact CB-CD1 3.75Å; A176-L218 HydrophobicContact CB-CD2 4.34Å; L195-L218 HydrophobicContact CD2-CD2 3.89Å; L195-L218 HydrophobicContact CG-CD2 4.19Å; Y197-L218 HydrophobicContact CD2-CD1 4.3Å; Y197-L218 HydrophobicContact CD2-CD2 3.6Å; Y197-L218 HydrophobicContact CD2-CG 3.64Å; Y197-L218 HydrophobicContact CE2-CD2 3.52Å; Y197-L218 HydrophobicContact CE2-CG 3.74Å; I214-L218 HydrophobicContact CG2-CD1 4.07Å; I214-L218 HydrophobicContact CG2-CG 4.48Å; I214-L218 WeakPolarHBondContact O-CB 3.35Å; I214-L218 PolarHBondContact O-N 2.86Å; T215-L218 PolarHBondContact O-N 2.78Å; S216-L218 VanDerWaalsContact C-N 3.34Å; S216-L218 PolarHBondContact O-N 3.33Å; L218-F222 VanDerWaalsContact O-CB 3.26Å; L218-F222 WeakPolarHBondContact O-CB 3.26Å; L218-F222 PolarHBondContact O-N 2.81Å; L218-F260 HydrophobicContact CB-CZ 3.94Å
219A98.4Very high96.7Very high0 Ų047 Ų470%023%0.232CC..Hα-helixtrans-64.2-42.9176.900000112.1T215 S216 R217 V221 F222 N223 A259 F260T215-A219 PolarHBondContact O-N 3.36Å; S216-A219 WeakPolarHBondContact O-CB 3.37Å; S216-A219 PolarHBondContact O-N 3.47Å; S216-A219 VanDerWaalsContact O-N 3.13Å; R217-A219 VanDerWaalsContact C-N 3.34Å; A219-V221 PolarHBondContact O-N 2.8Å; A219-F222 WeakPolarHBondContact O-CB 3.11Å; A219-F222 PolarHBondContact O-N 2.99Å; A219-N223 VanDerWaalsContact O-CG 3.28Å; A219-N223 PolarHBondContact O-N 3.16Å; A219-N223 PolarHBondContact O-ND2 2.97Å; A219-A259 HydrophobicContact CB-CB 4.16Å; A219-A259 VanDerWaalsContact CB-O 3.26Å; A219-A259 WeakPolarHBondContact CB-O 3.48Å; A219-F260 HydrophobicContact CB-CD1 3.9Å; A219-F260 HydrophobicContact CB-CD2 3.99Å; A219-F260 HydrophobicContact CB-CE1 3.9Å; A219-F260 HydrophobicContact CB-CE2 3.99Å; A219-F260 HydrophobicContact CB-CG 3.94Å; A219-F260 HydrophobicContact CB-CZ 3.94Å
220D97.9Very high96.7Very high75 Ų7549 Ų4940%0.40124%0.238SC..Hα-helixtrans-59.7-48.7177-66.2-24.3000111.7S216 R217 F222 N223 Q224S216-D220 VanDerWaalsContact O-CG 3.3Å; S216-D220 PolarHBondContact O-N 2.85Å; R217-D220 PolarHBondContact O-N 3.39Å; D220-F222 VanDerWaalsContact C-N 3.32Å; D220-F222 PolarHBondContact O-N 3.24Å; D220-N223 WeakPolarHBondContact O-CB 2.94Å; D220-N223 PolarHBondContact O-N 3.01Å; D220-Q224 WeakPolarHBondContact O-CG 3.49Å; D220-Q224 PolarHBondContact O-N 2.87Å
221V97.1Very high96.7Very high33 Ų3354.7 Ų54.720%0.226%0.259CS..Hα-helixtrans-68.7-34.1180176.50000111.3L195 R217 A219 R225L195-V221 HydrophobicContact CD2-CB 3.95Å; L195-V221 HydrophobicContact CD2-CG1 3.47Å; L195-V221 VanDerWaalsContact CD2-CG1 3.47Å; R217-V221 WeakPolarHBondContact O-CG2 3.41Å; R217-V221 PolarHBondContact O-N 2.8Å; R217-V221 VanDerWaalsContact O-N 3.09Å; A219-V221 PolarHBondContact O-N 2.8Å; V221-R225 WeakPolarHBondContact O-CB 3.32Å; V221-R225 PolarHBondContact O-N 2.84Å
222F97.2Very high96.5Very high9 Ų954.5 Ų54.54%0.03926%0.258CS..Hα-helixtrans-61.9-45.4171.3170.9-106.7000111.6R127 T157 L218 A219 D220 R225 C226 C237 F260R127-F222 HydrophobicContact CG-CE1 4.38Å; T157-F222 HydrophobicContact CG2-CD2 4.06Å; T157-F222 HydrophobicContact CG2-CE2 4.25Å; L218-F222 VanDerWaalsContact O-CB 3.26Å; L218-F222 WeakPolarHBondContact O-CB 3.26Å; L218-F222 PolarHBondContact O-N 2.81Å; A219-F222 WeakPolarHBondContact O-CB 3.11Å; A219-F222 PolarHBondContact O-N 2.99Å; D220-F222 VanDerWaalsContact C-N 3.32Å; D220-F222 PolarHBondContact O-N 3.24Å; F222-R225 WeakPolarHBondContact O-CB 3.38Å; F222-R225 PolarHBondContact O-N 2.99Å; F222-C226 VanDerWaalsContact CE2-SG 3.59Å; F222-C226 WeakPolarHBondContact CZ-SG 3.3Å; F222-C226 PolarHBondContact O-N 2.88Å; F222-C226 PolarHBondContact O-SG 3.22Å; F222-C226 VanDerWaalsContact O-SG 3.37Å; F222-C237 HydrophobicContact CE1-CB 4.29Å; F222-C237 HydrophobicContact CE2-CB 3.81Å; F222-C237 HydrophobicContact CZ-CB 3.61Å; F222-F260 HydrophobicContact CB-CE1 4.39Å; F222-F260 HydrophobicContact CD1-CD1 4.28Å; F222-F260 HydrophobicContact CD1-CE1 4.45Å
223N97.1Very high96.5Very high30 Ų3053.5 Ų53.516%0.1625%0.254CS..Hα-helixtrans-59-49176-72.9-22.6000111.5R127 A219 D220 R225 C226 E227R127-N223 PolarHBondContact NH1-OD1 2.88Å; R127-N223 PolarHBondContact NH2-OD1 2.94Å; A219-N223 VanDerWaalsContact O-CG 3.28Å; A219-N223 PolarHBondContact O-N 3.16Å; A219-N223 PolarHBondContact O-ND2 2.97Å; D220-N223 WeakPolarHBondContact O-CB 2.94Å; D220-N223 PolarHBondContact O-N 3.01Å; N223-R225 VanDerWaalsContact C-N 3.26Å; N223-R225 PolarHBondContact O-N 3.48Å; N223-C226 WeakPolarHBondContact O-CA 3.38Å; N223-C226 WeakPolarHBondContact O-CB 3.48Å; N223-C226 PolarHBondContact O-N 2.91Å; N223-E227 PolarHBondContact O-N 3.49Å
224Q96.6Very high96.5Very high101 Ų10150 Ų5047%0.47224%0.24SC..Hα-helixtrans-56.6-40.7176.2-70.4171.46.400112D220 E227 V228D220-Q224 WeakPolarHBondContact O-CG 3.49Å; D220-Q224 PolarHBondContact O-N 2.87Å; Q224-E227 PolarHBondContact O-N 3.28Å; Q224-V228 PolarHBondContact O-N 2.95Å
225R94.4Very high96.5Very high89 Ų8950.1 Ų50.134%0.33624%0.24SC..Hα-helixtrans-65.3-39.4175.4-176.4178-179153.18.1112.1Y178 V221 F222 N223 E227 V228 N229Y178-R225 VanDerWaalsContact CD1-NH2 3.29Å; V221-R225 WeakPolarHBondContact O-CB 3.32Å; V221-R225 PolarHBondContact O-N 2.84Å; F222-R225 WeakPolarHBondContact O-CB 3.38Å; F222-R225 PolarHBondContact O-N 2.99Å; N223-R225 VanDerWaalsContact C-N 3.26Å; N223-R225 PolarHBondContact O-N 3.48Å; R225-E227 VanDerWaalsContact C-N 3.32Å; R225-V228 WeakPolarHBondContact O-CG2 3.1Å; R225-V228 PolarHBondContact O-N 2.87Å; R225-N229 VanDerWaalsContact O-CB 3.3Å; R225-N229 WeakPolarHBondContact O-CB 3.26Å; R225-N229 PolarHBondContact O-N 2.95Å
226C95.1Very high96.5Very high12 Ų1250.1 Ų50.18%0.08124%0.24CC..Hα-helixtrans-65.5-34.3177.3-71.50000112.4F222 N223 V228 S233F222-C226 VanDerWaalsContact CE2-SG 3.59Å; F222-C226 WeakPolarHBondContact CZ-SG 3.3Å; F222-C226 PolarHBondContact O-N 2.88Å; F222-C226 PolarHBondContact O-SG 3.22Å; F222-C226 VanDerWaalsContact O-SG 3.37Å; N223-C226 WeakPolarHBondContact O-CA 3.38Å; N223-C226 WeakPolarHBondContact O-CB 3.48Å; N223-C226 PolarHBondContact O-N 2.91Å; C226-V228 VanDerWaalsContact C-N 3.34Å; C226-V228 PolarHBondContact O-N 3.47Å; C226-S233 WeakPolarHBondContact O-CB 3.25Å
227E95Very high96.5Very high159 Ų15948.5 Ų48.574%0.74323%0.229SC*.Hα-helixtrans-62.2-40.1176.3-70.3169.7-174.900112.3N223 Q224 R225N223-E227 PolarHBondContact O-N 3.49Å; Q224-E227 PolarHBondContact O-N 3.28Å; R225-E227 VanDerWaalsContact C-N 3.32Å
228V95.6Very high96.6Very high130 Ų13044.6 Ų44.679%0.78821%0.214SC*.Hα-helixtrans-93.1-14.5-177.6-57.80000114Q224 R225 C226Q224-V228 PolarHBondContact O-N 2.95Å; R225-V228 WeakPolarHBondContact O-CG2 3.1Å; R225-V228 PolarHBondContact O-N 2.87Å; C226-V228 VanDerWaalsContact C-N 3.34Å; C226-V228 PolarHBondContact O-N 3.47Å
229N94.9Very high96.6Very high49 Ų4944.4 Ų44.426%0.26221%0.213SC..  trans-128.192.6-177.7-171.8-29000111.3R225 R231 A232 S233R225-N229 VanDerWaalsContact O-CB 3.3Å; R225-N229 WeakPolarHBondContact O-CB 3.26Å; R225-N229 PolarHBondContact O-N 2.95Å; N229-R231 VanDerWaalsContact C-N 3.26Å; N229-R231 PolarHBondContact O-N 3.32Å; N229-R231 PolarHBondContact OD1-N 3.29Å; N229-A232 HydrophobicContact CB-CB 3.97Å; N229-A232 PolarHBondContact O-N 2.63Å; N229-A232 VanDerWaalsContact O-N 3.13Å; N229-A232 PolarHBondContact OD1-N 2.74Å; N229-S233 PolarHBondContact O-N 2.86Å
230R94.7Very high96.6Very high103 Ų10344.4 Ų44.439%0.38921%0.213SC..Hα-helixtrans-53.8-40.8178.7-176.366.2-176.414413.7112.9A118 E122 E123 A232 S233 V234A118-R230 PolarHBondContact O-NH2 3.19Å; E122-R230 VanDerWaalsContact C-NH2 3.28Å; E122-R230 PolarHBondContact O-NH1 2.82Å; E122-R230 VanDerWaalsContact O-NH1 3.11Å; E123-R230 PolarHBondContact O-NH1 2.91Å; E123-R230 PolarHBondContact O-NH2 2.73Å; E123-R230 VanDerWaalsContact O-NH2 3.16Å; R230-A232 PolarHBondContact O-N 2.94Å; R230-S233 WeakPolarHBondContact O-CB 3.43Å; R230-S233 PolarHBondContact O-N 2.83Å; R230-V234 HydrophobicContact CG-CG2 4.34Å; R230-V234 WeakPolarHBondContact O-CG2 3.4Å; R230-V234 PolarHBondContact O-N 3.48Å
231R93.9Very high96.7Very high121 Ų12140.9 Ų40.946%0.45719%0.194SC..Hα-helixtrans-66.2-40.3-178.6-170169.9-178.7178.52.5111.7G153 R155 N229 S235G153-R231 PolarHBondContact O-NH2 3.17Å; R155-R231 HydrophobicContact CB-CG 4.41Å; R155-R231 HydrophobicContact CG-CG 4.39Å; N229-R231 VanDerWaalsContact C-N 3.26Å; N229-R231 PolarHBondContact O-N 3.32Å; N229-R231 PolarHBondContact OD1-N 3.29Å; R231-S235 VanDerWaalsContact O-CB 3.28Å; R231-S235 WeakPolarHBondContact O-CB 3.46Å; R231-S235 PolarHBondContact O-N 3.37Å; R231-S235 PolarHBondContact O-OG 2.65Å
232A93.5Very high96.6Very high0 Ų039.7 Ų39.70%019%0.187CC..Hα-helixtrans-66.4-44.5172.700000111.1Y178 N229 R230 S235 G236Y178-A232 HydrophobicContact CD2-CB 4.46Å; Y178-A232 HydrophobicContact CE2-CB 3.67Å; N229-A232 HydrophobicContact CB-CB 3.97Å; N229-A232 PolarHBondContact O-N 2.63Å; N229-A232 VanDerWaalsContact O-N 3.13Å; N229-A232 PolarHBondContact OD1-N 2.74Å; R230-A232 PolarHBondContact O-N 2.94Å; A232-S235 PolarHBondContact O-N 3.35Å; A232-G236 PolarHBondContact O-N 3.12Å; A232-G236 VanDerWaalsContact O-N 3.1Å
233S97.3Very high96.5Very high15 Ų1540.2 Ų40.211%0.10520%0.195CC..Hα-helixtrans-56-54.4178.7-171.90000112.6G125 C226 N229 R230 S235 G236G125-S233 WeakPolarHBondContact CA-O 3.33Å; G125-S233 PolarHBondContact N-O 3Å; C226-S233 WeakPolarHBondContact O-CB 3.25Å; N229-S233 PolarHBondContact O-N 2.86Å; R230-S233 WeakPolarHBondContact O-CB 3.43Å; R230-S233 PolarHBondContact O-N 2.83Å; S233-S235 VanDerWaalsContact C-N 3.26Å; S233-S235 PolarHBondContact O-N 2.97Å; S233-G236 PolarHBondContact O-N 2.84Å
234V97.9Very high96.5Very high5 Ų542.7 Ų42.73%0.0320%0.202CC..Hα-helixtrans-66.6-27.7179.2175.10000112.4R115 E119 G125 R230 G236R115-V234 WeakPolarHBondContact CG-O 3.23Å; E119-V234 HydrophobicContact CB-CG1 3.76Å; E119-V234 HydrophobicContact CG-CG1 4.25Å; G125-V234 WeakPolarHBondContact CA-O 3.35Å; R230-V234 HydrophobicContact CG-CG2 4.34Å; R230-V234 WeakPolarHBondContact O-CG2 3.4Å; R230-V234 PolarHBondContact O-N 3.48Å; V234-G236 VanDerWaalsContact C-N 3.33Å
235S97.9Very high96.5Very high2 Ų238.5 Ų38.51%0.01418%0.183CC..Hα-helixtrans-75.5-25.4178.4-60.50000112.9R115 R155 R231 A232 S233R115-S235 PolarHBondContact NE-O 3.45Å; R155-S235 PolarHBondContact N-OG 3.41Å; R155-S235 VanDerWaalsContact O-CB 3.24Å; R155-S235 WeakPolarHBondContact O-CB 3.45Å; R231-S235 VanDerWaalsContact O-CB 3.28Å; R231-S235 WeakPolarHBondContact O-CB 3.46Å; R231-S235 PolarHBondContact O-N 3.37Å; R231-S235 PolarHBondContact O-OG 2.65Å; A232-S235 PolarHBondContact O-N 3.35Å; S233-S235 VanDerWaalsContact C-N 3.26Å; S233-S235 PolarHBondContact O-N 2.97Å
236G98.3Very high96.5Very high0 Ų041 Ų410%020%0.197CC..  trans70.9-156.7-179.200000113.2P126 P156 T157 A232 S233 V234P126-G236 WeakPolarHBondContact O-CA 3.25Å; P156-G236 WeakPolarHBondContact CA-O 3.5Å; T157-G236 PolarHBondContact N-O 3.33Å; A232-G236 PolarHBondContact O-N 3.12Å; A232-G236 VanDerWaalsContact O-N 3.1Å; S233-G236 PolarHBondContact O-N 2.84Å; V234-G236 VanDerWaalsContact C-N 3.33Å
237C98.7Very high96.6Very high0 Ų043 Ų430%022%0.22CC..EExtended strand (participates in β ladder)trans-139.8158-179.965.70000113.1P126 V128 T157 V159 F222P126-C237 PolarHBondContact O-N 2.85Å; V128-C237 PolarHBondContact N-O 3.43Å; T157-C237 CarbonylContact O-C 3.51Å; T157-C237 WeakPolarHBondContact O-CA 3.43Å; T157-C237 WeakPolarHBondContact O-CB 2.95Å; V159-C237 HydrophobicContact CG2-CB 4.34Å; F222-C237 HydrophobicContact CE1-CB 4.29Å; F222-C237 HydrophobicContact CE2-CB 3.81Å; F222-C237 HydrophobicContact CZ-CB 3.61Å
238V98.9Very high96.6Very high0 Ų038.3 Ų38.30%020%0.204CC..EExtended strand (participates in β ladder)trans-120.5122.7169.4-177.20000107.9V128 V130 C142 L146 T157 Y158 V159V128-V238 CarbonylContact O-C 3.58Å; V128-V238 WeakPolarHBondContact O-CA 3.35Å; V130-V238 HydrophobicContact CG2-CG1 4.29Å; C142-V238 HydrophobicContact CB-CG1 3.97Å; L146-V238 HydrophobicContact CD2-CB 3.9Å; L146-V238 HydrophobicContact CD2-CG2 3.74Å; L146-V238 HydrophobicContact CG-CB 4.1Å; L146-V238 HydrophobicContact CG-CG2 4.06Å; T157-V238 PolarHBondContact O-N 2.8Å; Y158-V238 WeakPolarHBondContact CD2-O 3.3Å; V159-V238 PolarHBondContact N-O 2.69Å
239I98.9Very high96.6Very high0 Ų032.1 Ų32.10%017%0.167CC..EExtended strand (participates in β ladder)trans-110.4113.8-172.2-53.1158.8000108.7V128 M129 V130 V159 L161 F260 V262V128-I239 PolarHBondContact O-N 2.98Å; M129-I239 HydrophobicContact CB-CB 4.35Å; M129-I239 HydrophobicContact CB-CD1 4.38Å; M129-I239 HydrophobicContact CG-CB 4.25Å; M129-I239 HydrophobicContact CG-CG2 4.29Å; V130-I239 PolarHBondContact N-O 2.82Å; V159-I239 HydrophobicContact CB-CB 4.24Å; V159-I239 HydrophobicContact CB-CG1 3.9Å; V159-I239 HydrophobicContact CB-CG2 4.18Å; V159-I239 HydrophobicContact CG1-CG1 4.39Å; V159-I239 HydrophobicContact CG1-CG2 4.05Å; V159-I239 HydrophobicContact CG2-CG1 4.21Å; V159-I239 CarbonylContact O-C 3.56Å; V159-I239 WeakPolarHBondContact O-CA 2.96Å; L161-I239 HydrophobicContact CD1-CG2 3.54Å; L161-I239 HydrophobicContact CG-CG2 3.86Å; I239-F260 HydrophobicContact CD1-CB 3.64Å; I239-F260 HydrophobicContact CD1-CD1 3.9Å; I239-F260 HydrophobicContact CD1-CD2 4.09Å; I239-F260 HydrophobicContact CD1-CG 3.6Å; I239-F260 HydrophobicContact CG1-CD1 4.48Å; I239-V262 HydrophobicContact CD1-CG1 3.84Å
240N98.8Very high96.8Very high0 Ų030.6 Ų30.60%016%0.158CC..EExtended strand (participates in β ladder)trans-87.3136170.3-17547.1000110.1K138 S139 Y158 V159 E160 L161K138-N240 WeakPolarHBondContact CB-OD1 3.41Å; S139-N240 PolarHBondContact OG-ND2 2.71Å; Y158-N240 HydrophobicContact CE2-CB 3.75Å; Y158-N240 VanDerWaalsContact OH-CB 3.31Å; Y158-N240 WeakPolarHBondContact OH-CB 3.11Å; V159-N240 PolarHBondContact O-N 3.3Å; E160-N240 PolarHBondContact OE1-ND2 3.05Å; E160-N240 PolarHBondContact OE2-ND2 3.32Å; L161-N240 WeakPolarHBondContact CB-O 3.3Å; L161-N240 PolarHBondContact N-O 3.46Å
241T98.2Very high97Very high1 Ų131.2 Ų31.21%0.00617%0.165CC..  trans-114.5162.918073.20000112.3M129 V130 V131 K138 L253M129-T241 HydrophobicContact CG-CG2 3.81Å; M129-T241 HydrophobicContact SD-CG2 4.11Å; V130-T241 PolarHBondContact O-OG1 2.74Å; V130-T241 VanDerWaalsContact O-OG1 3.13Å; V131-T241 HydrophobicContact CG1-CG2 3.99Å; K138-T241 WeakPolarHBondContact CE-O 3.46Å; T241-L253 HydrophobicContact CG2-CD2 3.86Å
242C95.4Very high97.2Very high8 Ų825.7 Ų25.75%0.05415%0.145CC..  trans-66.5164.7168.6720000112D162 P204 W244D162-C242 HydrophobicContact CB-CB 4.41Å; P204-C242 HydrophobicContact CG-CB 4.24Å; C242-W244 VanDerWaalsContact C-N 3.25Å; C242-W244 PolarHBondContact O-N 3.46Å
243G95.9Very high97.4Very high19 Ų1925.9 Ų25.920%0.19615%0.146CC..SBendtrans-809.9178.700000115.9V245G243-V245 PolarHBondContact O-N 3.04Å
244W96.1Very high97.5Very high82 Ų8226.8 Ų26.831%0.31115%0.151SC..  trans-90.193.7-176.5-172.626.1000111.4P204 I208 C242 K246 G249P204-W244 HydrophobicContact CB-CE3 4.06Å; P204-W244 HydrophobicContact CB-CZ3 4.18Å; I208-W244 HydrophobicContact CD1-CZ3 3.91Å; C242-W244 VanDerWaalsContact C-N 3.25Å; C242-W244 PolarHBondContact O-N 3.46Å; W244-K246 PolarHBondContact NE1-O 3.49Å; W244-G249 VanDerWaalsContact CD2-CA 3.43Å; W244-G249 CarbonylContact O-C 3.48Å; W244-G249 VanDerWaalsContact O-C 3.24Å; W244-G249 VanDerWaalsContact O-CA 3.23Å; W244-G249 WeakPolarHBondContact O-CA 3.29Å
245V96.6Very high97.5Very high13 Ų1329.4 Ų29.48%0.07916%0.163CC..  trans-103.87.7-168.9-58.40000115.1G132 P133 G243 L253 L273G132-V245 VanDerWaalsContact C-CG1 3.44Å; G132-V245 WeakPolarHBondContact O-CG1 3.43Å; P133-V245 HydrophobicContact CB-CG2 4.44Å; G243-V245 PolarHBondContact O-N 3.04Å; V245-L253 HydrophobicContact CG1-CD1 4.31Å; V245-L273 HydrophobicContact CB-CD1 4.31Å; V245-L273 HydrophobicContact CB-CD2 3.93Å; V245-L273 HydrophobicContact CG1-CD2 3.7Å
246K95.1Very high97.5Very high141 Ų14129.4 Ų29.461%0.61316%0.163SC*.SBendtrans-125.4152.9-175.3-64.9-176.1-179.8176.80111.1W244 S248 G249W244-K246 PolarHBondContact NE1-O 3.49Å; K246-S248 PolarHBondContact O-N 3.1Å; K246-G249 PolarHBondContact O-N 2.89Å
247G96.3Very high97.5Very high55 Ų5529.6 Ų29.657%0.56717%0.165SC*.THydrogen-bonded Turntrans57.8-128.1174.400000112G249 Y250 Q251G247-G249 PolarHBondContact O-N 3.18Å; G247-Y250 WeakPolarHBondContact O-CB 3.5Å; G247-Y250 PolarHBondContact O-N 2.77Å; G247-Q251 PolarHBondContact O-N 3.23Å
248S95.6Very high97.5Very high60 Ų6034 Ų3442%0.4220%0.195SC..Hα-helixtrans-60-28.6177.3-8.60000113.2K246 Q251 A252K246-S248 PolarHBondContact O-N 3.1Å; S248-Q251 PolarHBondContact O-N 2.88Å; S248-A252 PolarHBondContact O-N 2.9Å
249G96.5Very high97.5Very high1 Ų135 Ų351%0.0120%0.204CC..Hα-helixtrans-65.2-41.4173.600000112.6W244 K246 G247 Q251 A252 L253W244-G249 VanDerWaalsContact CD2-CA 3.43Å; W244-G249 CarbonylContact O-C 3.48Å; W244-G249 VanDerWaalsContact O-C 3.24Å; W244-G249 VanDerWaalsContact O-CA 3.23Å; W244-G249 WeakPolarHBondContact O-CA 3.29Å; K246-G249 PolarHBondContact O-N 2.89Å; G247-G249 PolarHBondContact O-N 3.18Å; G249-Q251 VanDerWaalsContact C-N 3.35Å; G249-Q251 PolarHBondContact O-N 3.43Å; G249-A252 WeakPolarHBondContact O-CB 3.42Å; G249-A252 PolarHBondContact O-N 2.88Å; G249-L253 WeakPolarHBondContact O-CG 3.47Å; G249-L253 PolarHBondContact O-N 3.36Å; G249-L253 VanDerWaalsContact O-N 3.08Å
250Y98.2Very high97.5Very high16 Ų1635.1 Ų35.16%0.06320%0.204CC..Hα-helixtrans-61.3-44.3173.1176.5-95000111.5G247 A252 L253 V254 L273 E276 L277 D280G247-Y250 WeakPolarHBondContact O-CB 3.5Å; G247-Y250 PolarHBondContact O-N 2.77Å; Y250-A252 VanDerWaalsContact C-N 3.27Å; Y250-A252 PolarHBondContact O-N 3.23Å; Y250-L253 WeakPolarHBondContact O-CB 3.23Å; Y250-L253 PolarHBondContact O-N 2.87Å; Y250-V254 HydrophobicContact CD1-CG2 4.22Å; Y250-V254 HydrophobicContact CE1-CG2 3.66Å; Y250-V254 HydrophobicContact CE2-CG2 4.45Å; Y250-V254 PolarHBondContact O-N 2.82Å; Y250-L273 HydrophobicContact CD2-CD1 3.77Å; Y250-L273 HydrophobicContact CE2-CD1 4Å; Y250-E276 HydrophobicContact CE2-CB 3.77Å; Y250-E276 PolarHBondContact OH-O 3.33Å; Y250-E276 VanDerWaalsContact OH-O 3.14Å; Y250-L277 HydrophobicContact CE2-CD2 3.77Å; Y250-L277 HydrophobicContact CE2-CG 4.02Å; Y250-D280 VanDerWaalsContact OH-CB 3.3Å; Y250-D280 WeakPolarHBondContact OH-CB 3.27Å; Y250-D280 PolarHBondContact OH-OD2 3.5Å
251Q98.1Very high97.5Very high117 Ų11739.2 Ų39.255%0.54722%0.224SC..Hα-helixtrans-61.3-36.5176.8-62.2-59.2-32.200112.1G247 S248 G249 V254 H255G247-Q251 PolarHBondContact O-N 3.23Å; S248-Q251 PolarHBondContact O-N 2.88Å; G249-Q251 VanDerWaalsContact C-N 3.35Å; G249-Q251 PolarHBondContact O-N 3.43Å; Q251-V254 PolarHBondContact O-N 3.01Å; Q251-H255 WeakPolarHBondContact O-CB 3.43Å; Q251-H255 PolarHBondContact O-N 2.98Å
252A98.1Very high97.5Very high5 Ų539.3 Ų39.34%0.04122%0.224CC..Hα-helixtrans-66.5-34.4173.700000112.9I208 Y211 S248 G249 Y250 H255 A256I208-A252 HydrophobicContact CD1-CB 3.91Å; Y211-A252 HydrophobicContact CD1-CB 4.15Å; Y211-A252 HydrophobicContact CE1-CB 4.01Å; S248-A252 PolarHBondContact O-N 2.9Å; G249-A252 WeakPolarHBondContact O-CB 3.42Å; G249-A252 PolarHBondContact O-N 2.88Å; Y250-A252 VanDerWaalsContact C-N 3.27Å; Y250-A252 PolarHBondContact O-N 3.23Å; A252-H255 PolarHBondContact O-N 2.71Å; A252-A256 WeakPolarHBondContact O-CB 3.42Å; A252-A256 PolarHBondContact O-N 2.86Å
253L98.6Very high97.6Very high4 Ų440.2 Ų40.22%0.02123%0.229CC..Hα-helixtrans-65.3-43.1173-62.5177.2000111.6V131 T241 V245 G249 Y250 A256 A257 L273V131-L253 HydrophobicContact CB-CD1 4.36Å; V131-L253 HydrophobicContact CG1-CD1 4.4Å; V131-L253 HydrophobicContact CG1-CD2 3.94Å; T241-L253 HydrophobicContact CG2-CD2 3.86Å; V245-L253 HydrophobicContact CG1-CD1 4.31Å; G249-L253 WeakPolarHBondContact O-CG 3.47Å; G249-L253 PolarHBondContact O-N 3.36Å; G249-L253 VanDerWaalsContact O-N 3.08Å; Y250-L253 WeakPolarHBondContact O-CB 3.23Å; Y250-L253 PolarHBondContact O-N 2.87Å; L253-A256 PolarHBondContact O-N 3.16Å; L253-A257 WeakPolarHBondContact O-CB 3.27Å; L253-A257 PolarHBondContact O-N 2.94Å; L253-L273 HydrophobicContact CD1-CD1 4.21Å
254V98.5Very high97.8Very high34 Ų3439.7 Ų39.721%0.20622%0.222CC..Hα-helixtrans-64.8-42.3175.91770000110.8Y250 Q251 A257 S258 L277Y250-V254 HydrophobicContact CD1-CG2 4.22Å; Y250-V254 HydrophobicContact CE1-CG2 3.66Å; Y250-V254 HydrophobicContact CE2-CG2 4.45Å; Y250-V254 PolarHBondContact O-N 2.82Å; Q251-V254 PolarHBondContact O-N 3.01Å; V254-A257 WeakPolarHBondContact O-CB 3.12Å; V254-A257 PolarHBondContact O-N 2.7Å; V254-S258 PolarHBondContact O-N 3.21Å; V254-L277 HydrophobicContact CG2-CD2 4.32Å
255H98.6Very high97.9Very high59 Ų5935.8 Ų35.827%0.27321%0.207SC..Hα-helixtrans-59.1-47.4173.8-179.480.9000111.8N212 S216 Q251 A252 A257 S258 A259N212-H255 PolarHBondContact O-NE2 3.02Å; S216-H255 PolarHBondContact OG-CE1 2.79Å; S216-H255 VanDerWaalsContact OG-CE1 3.28Å; S216-H255 PolarHBondContact OG-NE2 2.81Å; Q251-H255 WeakPolarHBondContact O-CB 3.43Å; Q251-H255 PolarHBondContact O-N 2.98Å; A252-H255 PolarHBondContact O-N 2.71Å; H255-A257 PolarHBondContact O-N 3.46Å; H255-S258 PolarHBondContact O-N 3.46Å; H255-A259 VanDerWaalsContact O-CB 3.3Å; H255-A259 WeakPolarHBondContact O-CB 3.39Å; H255-A259 PolarHBondContact O-N 2.73Å
256A98.7Very high98Very high2 Ų235.2 Ų35.22%0.01720%0.203CC..Hα-helixtrans-62.2-42.6177.200000112.1M129 L161 T215 A252 L253 S258 A259 F260M129-A256 HydrophobicContact SD-CB 4.08Å; L161-A256 HydrophobicContact CD1-CB 3.9Å; T215-A256 HydrophobicContact CG2-CB 3.82Å; A252-A256 WeakPolarHBondContact O-CB 3.42Å; A252-A256 PolarHBondContact O-N 2.86Å; L253-A256 PolarHBondContact O-N 3.16Å; A256-S258 VanDerWaalsContact C-N 3.31Å; A256-S258 PolarHBondContact O-N 3.19Å; A256-A259 PolarHBondContact O-N 3.07Å; A256-F260 WeakPolarHBondContact O-CB 3.16Å; A256-F260 WeakPolarHBondContact O-CD2 3.34Å; A256-F260 PolarHBondContact O-N 3.21Å
257A98.7Very high98.2Very high4 Ų428.5 Ų28.53%0.03317%0.174CC..Hα-helixtrans-58.2-44.4175.500000111.9M129 L253 V254 H255 E261 V262 L281M129-A257 HydrophobicContact CE-CB 3.71Å; M129-A257 HydrophobicContact SD-CB 4.4Å; L253-A257 WeakPolarHBondContact O-CB 3.27Å; L253-A257 PolarHBondContact O-N 2.94Å; V254-A257 WeakPolarHBondContact O-CB 3.12Å; V254-A257 PolarHBondContact O-N 2.7Å; H255-A257 PolarHBondContact O-N 3.46Å; A257-E261 PolarHBondContact O-N 2.81Å; A257-V262 HydrophobicContact CB-CG2 3.59Å; A257-V262 PolarHBondContact O-N 3.27Å; A257-L281 HydrophobicContact CB-CD2 3.65Å
258S98.5Very high98.3Very high92 Ų9225.9 Ų25.964%0.64315%0.147SC*.Hα-helixtrans-69-48177.7-172.10000112V254 H255 A256 F260 E261V254-S258 PolarHBondContact O-N 3.21Å; H255-S258 PolarHBondContact O-N 3.46Å; A256-S258 VanDerWaalsContact C-N 3.31Å; A256-S258 PolarHBondContact O-N 3.19Å; S258-F260 VanDerWaalsContact C-N 3.34Å; S258-F260 PolarHBondContact O-N 2.83Å; S258-E261 PolarHBondContact O-N 3.42Å; S258-E261 VanDerWaalsContact O-N 3.11Å
259A98.4Very high98.2Very high23 Ų2326 Ų2619%0.1914%0.143CC..Hα-helixtrans-62.4-42-176.200000111.8A219 H255 A256 E261A219-A259 HydrophobicContact CB-CB 4.16Å; A219-A259 VanDerWaalsContact CB-O 3.26Å; A219-A259 WeakPolarHBondContact CB-O 3.48Å; H255-A259 VanDerWaalsContact O-CB 3.3Å; H255-A259 WeakPolarHBondContact O-CB 3.39Å; H255-A259 PolarHBondContact O-N 2.73Å; A256-A259 PolarHBondContact O-N 3.07Å; A259-E261 VanDerWaalsContact C-N 3.32Å
260F98.6Very high98.1Very high1 Ų128.7 Ų28.70%0.00416%0.155CC..THydrogen-bonded Turntrans-83.8-2.3176.9-79.2-86000113.7R127 V159 L161 T215 L218 A219 F222 I239 A256 S258 V262R127-F260 WeakPolarHBondContact CD-O 3.31Å; R127-F260 PolarHBondContact NH1-O 3.02Å; V159-F260 HydrophobicContact CG1-CE1 4.1Å; V159-F260 HydrophobicContact CG1-CE2 4.31Å; V159-F260 HydrophobicContact CG1-CZ 3.64Å; V159-F260 HydrophobicContact CG2-CE1 3.98Å; V159-F260 HydrophobicContact CG2-CZ 4.37Å; L161-F260 HydrophobicContact CD1-CE2 4.41Å; L161-F260 HydrophobicContact CD2-CE2 4.38Å; T215-F260 HydrophobicContact CG2-CD2 4.31Å; T215-F260 HydrophobicContact CG2-CE2 3.88Å; L218-F260 HydrophobicContact CB-CZ 3.94Å; A219-F260 HydrophobicContact CB-CD1 3.9Å; A219-F260 HydrophobicContact CB-CD2 3.99Å; A219-F260 HydrophobicContact CB-CE1 3.9Å; A219-F260 HydrophobicContact CB-CE2 3.99Å; A219-F260 HydrophobicContact CB-CG 3.94Å; A219-F260 HydrophobicContact CB-CZ 3.94Å; F222-F260 HydrophobicContact CB-CE1 4.39Å; F222-F260 HydrophobicContact CD1-CD1 4.28Å; F222-F260 HydrophobicContact CD1-CE1 4.45Å; I239-F260 HydrophobicContact CD1-CB 3.64Å; I239-F260 HydrophobicContact CD1-CD1 3.9Å; I239-F260 HydrophobicContact CD1-CD2 4.09Å; I239-F260 HydrophobicContact CD1-CG 3.6Å; I239-F260 HydrophobicContact CG1-CD1 4.48Å; A256-F260 WeakPolarHBondContact O-CB 3.16Å; A256-F260 WeakPolarHBondContact O-CD2 3.34Å; A256-F260 PolarHBondContact O-N 3.21Å; S258-F260 VanDerWaalsContact C-N 3.34Å; S258-F260 PolarHBondContact O-N 2.83Å; F260-V262 VanDerWaalsContact C-N 3.34Å; F260-V262 HydrophobicContact CB-CG1 3.85Å; F260-V262 PolarHBondContact O-N 3.27Å
261E98.1Very high98.1Very high87 Ų8734.4 Ų34.441%0.40718%0.183SC..THydrogen-bonded Turntrans48.654.3-174-59.7171-141.800112R124 A257 S258 A259R124-E261 IonicContact CZ-OE2 3.32Å; R124-E261 IonicContact NH1-OE2 2.93Å; R124-E261 PolarHBondContact NH1-OE2 3.43Å; R124-E261 IonicContact NH2-OE2 2.8Å; A257-E261 PolarHBondContact O-N 2.81Å; S258-E261 PolarHBondContact O-N 3.42Å; S258-E261 VanDerWaalsContact O-N 3.11Å; A259-E261 VanDerWaalsContact C-N 3.32Å
262V98.6Very high98Very high2 Ų236.6 Ų36.61%0.01219%0.186CC..  trans-66.8136.3-172-57.60000111.6M129 I239 A257 F260 V265 V285M129-V262 HydrophobicContact CB-CG1 4Å; I239-V262 HydrophobicContact CD1-CG1 3.84Å; A257-V262 HydrophobicContact CB-CG2 3.59Å; A257-V262 PolarHBondContact O-N 3.27Å; F260-V262 VanDerWaalsContact C-N 3.34Å; F260-V262 HydrophobicContact CB-CG1 3.85Å; F260-V262 PolarHBondContact O-N 3.27Å; V262-V265 HydrophobicContact CG2-CG2 3.75Å; V262-V285 HydrophobicContact CG2-CG1 4.09Å; V262-V285 WeakPolarHBondContact O-CG2 3.33Å
263D98.6Very high98Very high28 Ų2836.4 Ų36.415%0.1518%0.184CC..SBendtrans-92.9-27.8177.6-47.2-72.5000111.1M114 R124 P126 R127 R286M114-D263 HydrophobicContact CE-CB 3.94Å; R124-D263 IonicContact NH2-OD1 3.94Å; R124-D263 PolarHBondContact NH2-OD1 3.17Å; R124-D263 VanDerWaalsContact NH2-OD1 3.13Å; P126-D263 WeakPolarHBondContact CA-OD2 3.42Å; R127-D263 PolarHBondContact N-OD2 3Å; R127-D263 PolarHBondContact O-N 3.02Å; D263-R286 PolarHBondContact O-N 2.78Å
264V98.8Very high98Very high8 Ų838.3 Ų38.35%0.04819%0.191CC..EExtended strand (participates in β ladder)trans-136.2131.8-176.9-174.30000110.6L111 M114 R127 V128 M129 V266 R286L111-V264 HydrophobicContact CD2-CB 4.44Å; L111-V264 HydrophobicContact CD2-CG2 3.97Å; M114-V264 HydrophobicContact CE-CG2 4.02Å; M114-V264 HydrophobicContact SD-CG2 3.95Å; R127-V264 PolarHBondContact O-N 2.94Å; V128-V264 CarbonylContact C-O 3.58Å; V128-V264 WeakPolarHBondContact CA-O 3.41Å; V128-V264 HydrophobicContact CG1-CB 4.36Å; V128-V264 HydrophobicContact CG1-CG1 4.41Å; V128-V264 HydrophobicContact CG2-CB 4.34Å; M129-V264 PolarHBondContact N-O 2.96Å; V264-V266 HydrophobicContact CG1-CG2 4.24Å; V264-R286 CarbonylContact C-O 3.35Å; V264-R286 WeakPolarHBondContact CA-O 3.49Å; V264-R286 HydrophobicContact CG2-CB 4.36Å
265V98.8Very high98Very high0 Ų041.2 Ų41.20%021%0.206CC..EExtended strand (participates in β ladder)trans-116.8119.1171.2-179.20000109.7M129 V131 V262 V267 L277 L281 V285 R286 T287 V288M129-V265 HydrophobicContact CB-CG2 4.46Å; M129-V265 HydrophobicContact CE-CG1 4.06Å; M129-V265 HydrophobicContact CE-CG2 3.85Å; M129-V265 CarbonylContact O-C 3.49Å; M129-V265 WeakPolarHBondContact O-CA 3.38Å; V131-V265 HydrophobicContact CG1-CG1 4.33Å; V131-V265 HydrophobicContact CG2-CG1 3.76Å; V262-V265 HydrophobicContact CG2-CG2 3.75Å; V265-V267 HydrophobicContact CG1-CG2 4.17Å; V265-L277 HydrophobicContact CG1-CD1 4.06Å; V265-L281 HydrophobicContact CB-CD1 4.46Å; V265-L281 HydrophobicContact CG2-CD1 3.73Å; V265-V285 HydrophobicContact CG2-CG1 3.81Å; V265-R286 PolarHBondContact N-O 2.81Å; V265-T287 HydrophobicContact CB-CG2 4.47Å; V265-T287 CarbonylContact O-C 3.54Å; V265-T287 WeakPolarHBondContact O-CA 3.47Å; V265-V288 PolarHBondContact O-N 2.89Å
266V98.8Very high98Very high0 Ų040.3 Ų40.30%020%0.202CC..EExtended strand (participates in β ladder)trans-99.3110.1177.1178.40000108.5T107 V128 M129 V130 V131 V264 L268 L290T107-V266 HydrophobicContact CG2-CG2 4.39Å; V128-V266 HydrophobicContact CG1-CG2 3.96Å; M129-V266 PolarHBondContact O-N 2.93Å; V130-V266 WeakPolarHBondContact CA-O 3.2Å; V130-V266 HydrophobicContact CG2-CB 4.35Å; V131-V266 PolarHBondContact N-O 3.01Å; V264-V266 HydrophobicContact CG1-CG2 4.24Å; V266-L268 HydrophobicContact CG1-CD2 3.87Å; V266-L290 HydrophobicContact CG1-CD1 3.43Å; V266-L290 VanDerWaalsContact CG1-CD1 3.43Å; V266-L290 HydrophobicContact CG1-CG 3.96Å
267V98.7Very high97.9Very high0 Ų040.2 Ų40.20%020%0.201CC..EExtended strand (participates in β ladder)trans-95.3120.9177.7-172.20000108.8V131 V265 Q270 L273 Y274 L277 T287 V288 L289 L290V131-V267 HydrophobicContact CG2-CB 4.18Å; V131-V267 HydrophobicContact CG2-CG1 4.31Å; V131-V267 HydrophobicContact CG2-CG2 3.7Å; V131-V267 WeakPolarHBondContact O-CA 3.24Å; V265-V267 HydrophobicContact CG1-CG2 4.17Å; V267-Q270 HydrophobicContact CG1-CB 4.38Å; V267-Q270 WeakPolarHBondContact CG1-O 3.29Å; V267-L273 HydrophobicContact CG1-CB 4.25Å; V267-L273 HydrophobicContact CG1-CD2 4.07Å; V267-L273 HydrophobicContact CG1-CG 4.17Å; V267-Y274 HydrophobicContact CG2-CD2 4.33Å; V267-L277 HydrophobicContact CG2-CD1 4Å; V267-T287 HydrophobicContact CG2-CG2 3.83Å; V267-V288 PolarHBondContact N-O 2.91Å; V267-L289 HydrophobicContact CB-CD1 4.27Å; V267-L289 HydrophobicContact CG1-CD1 4.21Å; V267-L289 WeakPolarHBondContact O-CA 3.45Å; V267-L290 PolarHBondContact O-N 3.47Å
268L98.3Very high97.9Very high0 Ų045.6 Ų45.60%022%0.224CC..EExtended strand (participates in β ladder)trans-97.1121.9177.7-60.3-170.2000111.1V130 V131 V136 K138 V141 V266 Q270 L290V130-L268 HydrophobicContact CG1-CD1 4Å; V130-L268 HydrophobicContact CG1-CG 4.15Å; V131-L268 PolarHBondContact O-N 3.33Å; V136-L268 HydrophobicContact CB-CB 4.02Å; V136-L268 HydrophobicContact CG2-CB 3.61Å; V136-L268 HydrophobicContact CG2-CD1 4.21Å; K138-L268 HydrophobicContact CB-CD1 4.36Å; K138-L268 HydrophobicContact CG-CD1 3.95Å; V141-L268 HydrophobicContact CB-CD1 4.26Å; V141-L268 HydrophobicContact CG2-CD1 3.83Å; V141-L268 HydrophobicContact CG2-CD2 4.37Å; V266-L268 HydrophobicContact CG1-CD2 3.87Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.05Å; L268-Q270 VanDerWaalsContact O-N 3.16Å; L268-L290 WeakPolarHBondContact CA-O 3.3Å; L268-L290 HydrophobicContact CD2-CB 3.73Å; L268-L290 HydrophobicContact CD2-CD1 4.27Å; L268-L290 HydrophobicContact CD2-CG 4.5Å
269D93.6Very high97.8Very high62 Ų6249.3 Ų49.333%0.33222%0.224SC..SBendtrans51.239.1166.7-160.348.3000114.9V136 L290 K292V136-D269 HydrophobicContact CB-CB 4.3Å; V136-D269 HydrophobicContact CG1-CB 4Å; D269-L290 PolarHBondContact N-O 3.5Å; D269-K292 HydrophobicContact CB-CB 3.82Å; D269-K292 HydrophobicContact CB-CD 4.31Å; D269-K292 HydrophobicContact CB-CG 3.98Å; D269-K292 WeakPolarHBondContact OD2-CD 3.29Å; D269-K292 WeakPolarHBondContact OD2-CE 3.23Å; D269-K292 WeakPolarHBondContact OD2-CG 3.12Å; D269-K292 IonicContact OD2-NZ 3.25Å; D269-K292 PolarHBondContact OD2-NZ 3.01Å
270Q95.6Very high97.8Very high58 Ų5851.6 Ų51.627%0.27123%0.232SC..  trans-152.588.5-179.8-170.965.6-8.800113.3P133 V267 L268 R272 L273 Y274P133-Q270 HydrophobicContact CG-CB 4.44Å; V267-Q270 HydrophobicContact CG1-CB 4.38Å; V267-Q270 WeakPolarHBondContact CG1-O 3.29Å; L268-Q270 VanDerWaalsContact C-N 3.29Å; L268-Q270 PolarHBondContact O-N 3.05Å; L268-Q270 VanDerWaalsContact O-N 3.16Å; Q270-R272 PolarHBondContact O-N 3.07Å; Q270-L273 HydrophobicContact CB-CB 4.04Å; Q270-L273 HydrophobicContact CG-CB 3.46Å; Q270-L273 VanDerWaalsContact CG-CB 3.46Å; Q270-L273 HydrophobicContact CG-CD2 4.43Å; Q270-L273 PolarHBondContact O-N 3.42Å; Q270-Y274 PolarHBondContact O-N 3.2Å
271E96.9Very high97.7Very high137 Ų13752.1 Ų52.164%0.6424%0.235SC*.Hα-helixtrans-60.7-40-177.2-67-172.7168.400114L273 Y274 N275 L289E271-L273 VanDerWaalsContact C-N 3.33Å; E271-L273 PolarHBondContact O-N 3.5Å; E271-Y274 WeakPolarHBondContact O-CB 3.5Å; E271-Y274 PolarHBondContact O-N 3.5Å; E271-N275 PolarHBondContact O-N 3.12Å; E271-N275 PolarHBondContact O-ND2 3.29Å; E271-N275 VanDerWaalsContact O-ND2 3.1Å; E271-L289 HydrophobicContact CG-CD2 3.9Å
272R97.3Very high97.7Very high162 Ų16251.1 Ų51.161%0.61124%0.236SC*.Hα-helixtrans-60.3-45.8178.4179.1176.1170.2167.92.1111.3Q270 Y274 N275 E276Q270-R272 PolarHBondContact O-N 3.07Å; R272-Y274 VanDerWaalsContact C-N 3.32Å; R272-Y274 PolarHBondContact O-N 3.3Å; R272-N275 PolarHBondContact O-N 3.17Å; R272-E276 HydrophobicContact CG-CG 4.5Å; R272-E276 IonicContact CZ-OE1 3.99Å; R272-E276 IonicContact NE-OE1 3.6Å; R272-E276 PolarHBondContact NE-OE1 3.16Å; R272-E276 IonicContact NH2-OE1 3.02Å; R272-E276 PolarHBondContact NH2-OE1 2.97Å; R272-E276 WeakPolarHBondContact O-CG 3.46Å; R272-E276 PolarHBondContact O-N 2.64Å
273L97.9Very high97.5Very high2 Ų260.3 Ų60.31%0.0128%0.279CS..Hα-helixtrans-64.2-40.1177.7178.362.9000110.9V131 V245 Y250 L253 V267 Q270 E271 N275 E276 L277V131-L273 HydrophobicContact CB-CD2 4.38Å; V131-L273 HydrophobicContact CG2-CD2 4.05Å; V245-L273 HydrophobicContact CB-CD1 4.31Å; V245-L273 HydrophobicContact CB-CD2 3.93Å; V245-L273 HydrophobicContact CG1-CD2 3.7Å; Y250-L273 HydrophobicContact CD2-CD1 3.77Å; Y250-L273 HydrophobicContact CE2-CD1 4Å; L253-L273 HydrophobicContact CD1-CD1 4.21Å; V267-L273 HydrophobicContact CG1-CB 4.25Å; V267-L273 HydrophobicContact CG1-CD2 4.07Å; V267-L273 HydrophobicContact CG1-CG 4.17Å; Q270-L273 HydrophobicContact CB-CB 4.04Å; Q270-L273 HydrophobicContact CG-CB 3.46Å; Q270-L273 VanDerWaalsContact CG-CB 3.46Å; Q270-L273 HydrophobicContact CG-CD2 4.43Å; Q270-L273 PolarHBondContact O-N 3.42Å; E271-L273 VanDerWaalsContact C-N 3.33Å; E271-L273 PolarHBondContact O-N 3.5Å; L273-N275 PolarHBondContact O-N 3.16Å; L273-E276 PolarHBondContact O-N 2.76Å; L273-L277 HydrophobicContact CD1-CD1 3.81Å; L273-L277 HydrophobicContact CD1-CG 3.99Å; L273-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CG-CD1 3.77Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 WeakPolarHBondContact O-CG 3.17Å; L273-L277 PolarHBondContact O-N 2.72Å
274Y98.4Very high97.4Very high43 Ų4365.6 Ų65.617%0.16930%0.301CS..Hα-helixtrans-56.6-49.6174.3168.2-92.3000112V267 Q270 E271 R272 L277 K278 T287 L289V267-Y274 HydrophobicContact CG2-CD2 4.33Å; Q270-Y274 PolarHBondContact O-N 3.2Å; E271-Y274 WeakPolarHBondContact O-CB 3.5Å; E271-Y274 PolarHBondContact O-N 3.5Å; R272-Y274 VanDerWaalsContact C-N 3.32Å; R272-Y274 PolarHBondContact O-N 3.3Å; Y274-L277 PolarHBondContact O-N 2.99Å; Y274-K278 HydrophobicContact CE1-CD 3.94Å; Y274-K278 VanDerWaalsContact O-CB 3.22Å; Y274-K278 WeakPolarHBondContact O-CB 3.16Å; Y274-K278 PolarHBondContact O-N 2.88Å; Y274-K278 PolarHBondContact OH-NZ 3.42Å; Y274-K278 VanDerWaalsContact OH-NZ 3.15Å; Y274-T287 HydrophobicContact CD2-CG2 3.57Å; Y274-T287 HydrophobicContact CE2-CG2 3.76Å; Y274-T287 WeakPolarHBondContact CE2-O 3.42Å; Y274-L289 HydrophobicContact CD2-CB 3.69Å; Y274-L289 HydrophobicContact CE2-CB 4.05Å; Y274-L289 HydrophobicContact CG-CB 4.1Å
275N98.1Very high97.4Very high96 Ų9665.9 Ų65.951%0.51330%0.302SS..Hα-helixtrans-67.1-39.5-179.6-71-45000112.2E271 R272 L273 R279E271-N275 PolarHBondContact O-N 3.12Å; E271-N275 PolarHBondContact O-ND2 3.29Å; E271-N275 VanDerWaalsContact O-ND2 3.1Å; R272-N275 PolarHBondContact O-N 3.17Å; L273-N275 PolarHBondContact O-N 3.16Å; N275-R279 WeakPolarHBondContact O-CB 3.33Å; N275-R279 PolarHBondContact O-N 3.31Å; N275-R279 VanDerWaalsContact O-N 3.13Å
276E97.9Very high97.3Very high40 Ų4073 Ų7319%0.18733%0.329CS..Hα-helixtrans-62.3-49.4175.2-73.5169.7171.300111Y250 R272 L273 R279 D280Y250-E276 HydrophobicContact CE2-CB 3.77Å; Y250-E276 PolarHBondContact OH-O 3.33Å; Y250-E276 VanDerWaalsContact OH-O 3.14Å; R272-E276 HydrophobicContact CG-CG 4.5Å; R272-E276 IonicContact CZ-OE1 3.99Å; R272-E276 IonicContact NE-OE1 3.6Å; R272-E276 PolarHBondContact NE-OE1 3.16Å; R272-E276 IonicContact NH2-OE1 3.02Å; R272-E276 PolarHBondContact NH2-OE1 2.97Å; R272-E276 WeakPolarHBondContact O-CG 3.46Å; R272-E276 PolarHBondContact O-N 2.64Å; L273-E276 PolarHBondContact O-N 2.76Å; E276-R279 PolarHBondContact O-N 3.44Å; E276-D280 WeakPolarHBondContact O-CB 3.38Å; E276-D280 PolarHBondContact O-N 2.94Å
277L98Very high97.3Very high0 Ų074.1 Ų74.10%034%0.336CS..Hα-helixtrans-66.5-38.7178.7-70.8169.5000112.8V131 Y250 V254 V265 V267 L273 Y274 R279 D280 L281 T287V131-L277 HydrophobicContact CG2-CD1 3.67Å; Y250-L277 HydrophobicContact CE2-CD2 3.77Å; Y250-L277 HydrophobicContact CE2-CG 4.02Å; V254-L277 HydrophobicContact CG2-CD2 4.32Å; V265-L277 HydrophobicContact CG1-CD1 4.06Å; V267-L277 HydrophobicContact CG2-CD1 4Å; L273-L277 HydrophobicContact CD1-CD1 3.81Å; L273-L277 HydrophobicContact CD1-CG 3.99Å; L273-L277 HydrophobicContact CD2-CD1 4.46Å; L273-L277 HydrophobicContact CG-CD1 3.77Å; L273-L277 HydrophobicContact CG-CG 4.36Å; L273-L277 WeakPolarHBondContact O-CB 3.49Å; L273-L277 WeakPolarHBondContact O-CG 3.17Å; L273-L277 PolarHBondContact O-N 2.72Å; Y274-L277 PolarHBondContact O-N 2.99Å; L277-R279 PolarHBondContact O-N 2.92Å; L277-D280 PolarHBondContact O-N 2.9Å; L277-L281 HydrophobicContact CB-CD1 4.09Å; L277-L281 HydrophobicContact CD2-CD1 4.15Å; L277-L281 HydrophobicContact CD2-CG 4.37Å; L277-L281 WeakPolarHBondContact O-CB 3.47Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.45Å; L277-L281 PolarHBondContact O-N 2.77Å; L277-T287 HydrophobicContact CB-CG2 4.49Å
278K97.2Very high97.3Very high117 Ų11776.6 Ų76.651%0.50935%0.351SS..Hα-helixtrans-64-30.1176.5-173.7177.2-174.9175.40112.7Y274Y274-K278 HydrophobicContact CE1-CD 3.94Å; Y274-K278 VanDerWaalsContact O-CB 3.22Å; Y274-K278 WeakPolarHBondContact O-CB 3.16Å; Y274-K278 PolarHBondContact O-N 2.88Å; Y274-K278 PolarHBondContact OH-NZ 3.42Å; Y274-K278 VanDerWaalsContact OH-NZ 3.15Å
279R97.4Very high97.3Very high170 Ų17079.7 Ų79.764%0.64237%0.367SS*.Hα-helixtrans-77.8-43.3176.4-176.3-169.466.7-151.5-9.3111.9N275 E276 L277N275-R279 WeakPolarHBondContact O-CB 3.33Å; N275-R279 PolarHBondContact O-N 3.31Å; N275-R279 VanDerWaalsContact O-N 3.13Å; E276-R279 PolarHBondContact O-N 3.44Å; L277-R279 PolarHBondContact O-N 2.92Å
280D97.6Very high97.5Very high70 Ų7077.1 Ų77.137%0.37435%0.353SS..Hα-helixtrans-95.9-19-166.7-62.4-14.4000113.5Y250 E276 L277Y250-D280 VanDerWaalsContact OH-CB 3.3Å; Y250-D280 WeakPolarHBondContact OH-CB 3.27Å; Y250-D280 PolarHBondContact OH-OD2 3.5Å; E276-D280 WeakPolarHBondContact O-CB 3.38Å; E276-D280 PolarHBondContact O-N 2.94Å; L277-D280 PolarHBondContact O-N 2.9Å
281L97.9Very high97.5Very high13 Ų1377.1 Ų77.17%0.06836%0.358CS..SBendtrans-84.2153.1173.1-64.7176.3000111.8A257 V265 L277 V285A257-L281 HydrophobicContact CB-CD2 3.65Å; V265-L281 HydrophobicContact CB-CD1 4.46Å; V265-L281 HydrophobicContact CG2-CD1 3.73Å; L277-L281 HydrophobicContact CB-CD1 4.09Å; L277-L281 HydrophobicContact CD2-CD1 4.15Å; L277-L281 HydrophobicContact CD2-CG 4.37Å; L277-L281 WeakPolarHBondContact O-CB 3.47Å; L277-L281 VanDerWaalsContact O-CG 3.27Å; L277-L281 WeakPolarHBondContact O-CG 3.45Å; L277-L281 PolarHBondContact O-N 2.77Å; L281-V285 HydrophobicContact CB-CB 4.34Å; L281-V285 HydrophobicContact CD1-CG1 4.12Å
282P97.6Very high97.4Very high65 Ų6574.6 Ų74.642%0.42235%0.345SS..  trans-56145.5176-24.733.9000112.9F284 V285P282-F284 HydrophobicContact CB-CD1 3.53Å; P282-F284 HydrophobicContact CB-CE1 3.21Å; P282-F284 HydrophobicContact CB-CG 4.36Å; P282-F284 HydrophobicContact CB-CZ 3.81Å; P282-F284 HydrophobicContact CG-CE1 3.81Å; P282-F284 HydrophobicContact CG-CZ 4.04Å; P282-F284 PolarHBondContact O-N 3.01Å; P282-V285 HydrophobicContact CB-CG2 4.25Å; P282-V285 HydrophobicContact CG-CG2 4.4Å; P282-V285 WeakPolarHBondContact O-CB 3.35Å; P282-V285 PolarHBondContact O-N 2.82Å
283H94.8Very high97.2Very high196 Ų19667.7 Ų67.791%0.90732%0.322SS*.THydrogen-bonded Turntrans-59.1-21.9-176.2-66.6-51.4000115.3V285H283-V285 VanDerWaalsContact C-N 3.3Å
284F95.8Very high96.9Very high139 Ų13970.2 Ų70.261%0.6135%0.348SS*.THydrogen-bonded Turntrans-75.1-20.8176.567.8-101.1000112.7P282 R286P282-F284 HydrophobicContact CB-CD1 3.53Å; P282-F284 HydrophobicContact CB-CE1 3.21Å; P282-F284 HydrophobicContact CB-CG 4.36Å; P282-F284 HydrophobicContact CB-CZ 3.81Å; P282-F284 HydrophobicContact CG-CE1 3.81Å; P282-F284 HydrophobicContact CG-CZ 4.04Å; P282-F284 PolarHBondContact O-N 3.01Å; F284-R286 PolarHBondContact O-N 2.84Å
285V98.3Very high96.4Very high13 Ų1369.5 Ų69.58%0.07935%0.353CS..SBendtrans-75.1120.2178.9-1750000109.2V262 V265 L281 P282 H283 T287V262-V285 HydrophobicContact CG2-CG1 4.09Å; V262-V285 WeakPolarHBondContact O-CG2 3.33Å; V265-V285 HydrophobicContact CG2-CG1 3.81Å; L281-V285 HydrophobicContact CB-CB 4.34Å; L281-V285 HydrophobicContact CD1-CG1 4.12Å; P282-V285 HydrophobicContact CB-CG2 4.25Å; P282-V285 HydrophobicContact CG-CG2 4.4Å; P282-V285 WeakPolarHBondContact O-CB 3.35Å; P282-V285 PolarHBondContact O-N 2.82Å; H283-V285 VanDerWaalsContact C-N 3.3Å; V285-T287 PolarHBondContact O-N 3.33Å
286R98.3Very high96Very high151 Ų15167 Ų6757%0.5734%0.341SS*.EExtended strand (participates in β ladder)trans-82.9107.3-179.3-62.1178.7-175.9168.81.1110.1D263 V264 V265 F284D263-R286 PolarHBondContact O-N 2.78Å; V264-R286 CarbonylContact C-O 3.35Å; V264-R286 WeakPolarHBondContact CA-O 3.49Å; V264-R286 HydrophobicContact CG2-CB 4.36Å; V265-R286 PolarHBondContact N-O 2.81Å; F284-R286 PolarHBondContact O-N 2.84Å
287T98.1Very high95.6Very high23 Ų2367.3 Ų67.314%0.14135%0.346CS..EExtended strand (participates in β ladder)trans-91.8123.3174.4-47.40000110.7V265 V267 Y274 L277 V285V265-T287 HydrophobicContact CB-CG2 4.47Å; V265-T287 CarbonylContact O-C 3.54Å; V265-T287 WeakPolarHBondContact O-CA 3.47Å; V267-T287 HydrophobicContact CG2-CG2 3.83Å; Y274-T287 HydrophobicContact CD2-CG2 3.57Å; Y274-T287 HydrophobicContact CE2-CG2 3.76Å; Y274-T287 WeakPolarHBondContact CE2-O 3.42Å; L277-T287 HydrophobicContact CB-CG2 4.49Å; V285-T287 PolarHBondContact O-N 3.33Å
288V98Very high95.1Very high51 Ų5175.3 Ų75.331%0.30938%0.384SS..EExtended strand (participates in β ladder)trans-119130.9-179.7-177.30000109.3V265 V267 L290V265-V288 PolarHBondContact O-N 2.89Å; V267-V288 PolarHBondContact N-O 2.91Å; V288-L290 HydrophobicContact CG1-CD2 3.86Å; V288-L290 HydrophobicContact CG1-CG 4.15Å
289L98.3Very high94.7Very high65 Ų6574.6 Ų74.634%0.3438%0.378SS..EExtended strand (participates in β ladder)trans-96.1126.2171.8179.565.9000109V267 E271 Y274V267-L289 HydrophobicContact CB-CD1 4.27Å; V267-L289 HydrophobicContact CG1-CD1 4.21Å; V267-L289 WeakPolarHBondContact O-CA 3.45Å; E271-L289 HydrophobicContact CG-CD2 3.9Å; Y274-L289 HydrophobicContact CD2-CB 3.69Å; Y274-L289 HydrophobicContact CE2-CB 4.05Å; Y274-L289 HydrophobicContact CG-CB 4.1Å
290L97.9Very high94.3Very high8 Ų869.7 Ų69.74%0.04237%0.369CS..EExtended strand (participates in β ladder)trans-121.1143.5173.4-58.1179.3000110.1L103 Y104 V266 V267 L268 D269 V288L103-L290 HydrophobicContact CB-CD2 4.15Å; Y104-L290 HydrophobicContact CD1-CD1 3.93Å; Y104-L290 HydrophobicContact CE1-CB 4.44Å; Y104-L290 HydrophobicContact CE1-CD1 4.04Å; V266-L290 HydrophobicContact CG1-CD1 3.43Å; V266-L290 VanDerWaalsContact CG1-CD1 3.43Å; V266-L290 HydrophobicContact CG1-CG 3.96Å; V267-L290 PolarHBondContact O-N 3.47Å; L268-L290 WeakPolarHBondContact CA-O 3.3Å; L268-L290 HydrophobicContact CD2-CB 3.73Å; L268-L290 HydrophobicContact CD2-CD1 4.27Å; L268-L290 HydrophobicContact CD2-CG 4.5Å; D269-L290 PolarHBondContact N-O 3.5Å; V288-L290 HydrophobicContact CG1-CD2 3.86Å; V288-L290 HydrophobicContact CG1-CG 4.15Å
291P96.4Very high94Very high58 Ų5874.9 Ų74.938%0.37739%0.389SS..PPolyproline II helixtrans-70.1152.7172.731.4-35000110.4P100 L103 Y104P100-P291 HydrophobicContact CB-CG 4.02Å; L103-P291 HydrophobicContact CD1-CG 3.69Å; Y104-P291 PolarHBondContact OH-O 3.44Å
292K93.9Very high93.7Very high85 Ų8578.8 Ų78.837%0.3741%0.41SS..PPolyproline II helixtrans-71.4153.8165.667.9176.1175.3-132.70110V136 D269V136-K292 HydrophobicContact CB-CB 4.29Å; D269-K292 HydrophobicContact CB-CB 3.82Å; D269-K292 HydrophobicContact CB-CD 4.31Å; D269-K292 HydrophobicContact CB-CG 3.98Å; D269-K292 WeakPolarHBondContact OD2-CD 3.29Å; D269-K292 WeakPolarHBondContact OD2-CE 3.23Å; D269-K292 WeakPolarHBondContact OD2-CG 3.12Å; D269-K292 IonicContact OD2-NZ 3.25Å; D269-K292 PolarHBondContact OD2-NZ 3.01Å
293S94Very high93.4Very high17 Ų1777.6 Ų77.612%0.11940%0.398CS..PPolyproline II helixtrans-68.5139.4167.6172.50000109.9R35 G295 V296R35-S293 PolarHBondContact NH2-OG 2.66Å; S293-G295 PolarHBondContact O-N 2.84Å; S293-G295 VanDerWaalsContact O-N 3.11Å; S293-G295 PolarHBondContact OG-N 2.8Å; S293-G295 VanDerWaalsContact OG-N 3.12Å; S293-V296 WeakPolarHBondContact O-CB 3.47Å; S293-V296 WeakPolarHBondContact O-CG2 3.49Å; S293-V296 PolarHBondContact O-N 2.81Å
294G90.3Very high93.3Very high54 Ų5470.2 Ų70.256%0.55736%0.362SS*.THydrogen-bonded Turntrans-63.6-9.7171.100000113.7V296G294-V296 VanDerWaalsContact C-N 3.35Å
295G88.9Confident93.2Very high28 Ų2870.3 Ų70.329%0.28936%0.358SS..THydrogen-bonded Turntrans-86.9-0.5172.100000114.2S293S293-G295 PolarHBondContact O-N 2.84Å; S293-G295 VanDerWaalsContact O-N 3.11Å; S293-G295 PolarHBondContact OG-N 2.8Å; S293-G295 VanDerWaalsContact OG-N 3.12Å
296V90.4Very high92.9Very high43 Ų4375.5 Ų75.526%0.26138%0.382SS..  trans-77.4128174.1-177.70000109.2D135 S293 G294D135-V296 VanDerWaalsContact C-CG1 3.47Å; D135-V296 WeakPolarHBondContact O-CG1 3.24Å; S293-V296 WeakPolarHBondContact O-CB 3.47Å; S293-V296 WeakPolarHBondContact O-CG2 3.49Å; S293-V296 PolarHBondContact O-N 2.81Å; G294-V296 VanDerWaalsContact C-N 3.35Å
297V87.9Confident92.6Very high48 Ų4870.3 Ų70.329%0.29137%0.368SS..  trans-108.4138.7-177.4-170.80000109.7E37 K73E37-V297 WeakPolarHBondContact OE1-CG2 3.32Å; K73-V297 HydrophobicContact CD-CB 3.98Å; K73-V297 HydrophobicContact CD-CG2 4.03Å
298E87.6Confident92.5Very high167 Ų16771.7 Ų71.778%0.7837%0.371SS*.  trans-65.9138.5172.1-68.6-170.9173.700111
299R88.9Confident92.3Very high102 Ų10272 Ų7239%0.38537%0.371SS..  trans-110.9125-175.7-66.2175.3-178.9-173.91.7110.5D135 F303 R304D135-R299 PolarHBondContact OD2-N 2.86Å; R299-F303 HydrophobicContact CB-CD1 3.89Å; R299-F303 HydrophobicContact CG-CD1 3.74Å; R299-F303 HydrophobicContact CG-CE1 3.91Å; R299-R304 HydrophobicContact CB-CG 4.17Å
300S90.6Very high92Very high67 Ų6773.5 Ų73.547%0.46938%0.376SS..  trans-61.6160.6172.575.40000111.4D302 F303 R304S300-D302 PolarHBondContact O-N 2.84Å; S300-F303 PolarHBondContact O-N 2.84Å; S300-F303 WeakPolarHBondContact OG-CB 3.3Å; S300-F303 PolarHBondContact OG-N 3.33Å; S300-R304 WeakPolarHBondContact O-CG 3.3Å; S300-R304 PolarHBondContact O-N 3.44Å; S300-R304 VanDerWaalsContact O-N 3.16Å
301K91.3Very high91.9Very high179 Ų17976.4 Ų76.478%0.77839%0.387SS*.Hα-helixtrans-62.3-33.1175.3-69.3-178-179.6176.70112R305K301-R305 PolarHBondContact O-N 3.27Å; K301-R305 VanDerWaalsContact O-N 3.11Å
302D91.7Very high91.9Very high96 Ų9673.7 Ų73.751%0.51337%0.369SS..Hα-helixtrans-73.6-44.7-179.5-61.6-33.8000111.1S300 R304 R305 E306S300-D302 PolarHBondContact O-N 2.84Å; D302-R304 VanDerWaalsContact C-N 3.27Å; D302-R304 PolarHBondContact O-N 3.44Å; D302-R305 CarbonylContact O-C 3.56Å; D302-R305 WeakPolarHBondContact O-CA 3.31Å; D302-R305 VanDerWaalsContact O-CB 3.28Å; D302-R305 WeakPolarHBondContact O-CB 3.37Å; D302-R305 PolarHBondContact O-N 3.45Å; D302-E306 PolarHBondContact O-N 3.11Å
303F90.1Very high92Very high40 Ų4073.9 Ų73.918%0.17537%0.367CS..Hα-helixtrans-55.6-43.4172.4-178.6-92.4000111.6R299 S300 R305 E306 C307R299-F303 HydrophobicContact CB-CD1 3.89Å; R299-F303 HydrophobicContact CG-CD1 3.74Å; R299-F303 HydrophobicContact CG-CE1 3.91Å; S300-F303 PolarHBondContact O-N 2.84Å; S300-F303 WeakPolarHBondContact OG-CB 3.3Å; S300-F303 PolarHBondContact OG-N 3.33Å; F303-R305 VanDerWaalsContact C-N 3.27Å; F303-R305 PolarHBondContact O-N 2.97Å; F303-E306 PolarHBondContact O-N 3.35Å; F303-C307 WeakPolarHBondContact CE1-SG 3.39Å; F303-C307 PolarHBondContact O-N 2.9Å; F303-C307 PolarHBondContact O-SG 2.74Å
304R93Very high92Very high40 Ų4075.2 Ų75.215%0.15137%0.371CS..Hα-helixtrans-63.3-33.6175.6-69.6173.8-176.3-82.2-3.4112.6D135 Q165 R299 S300 D302 R308D135-R304 IonicContact OD1-CZ 3.32Å; D135-R304 IonicContact OD1-NH2 3.81Å; D135-R304 PolarHBondContact OD1-NH2 2.77Å; D135-R304 IonicContact OD2-CZ 3.69Å; D135-R304 IonicContact OD2-NH2 2.68Å; D135-R304 PolarHBondContact OD2-NH2 2.92Å; Q165-R304 PolarHBondContact NE2-O 3Å; R299-R304 HydrophobicContact CB-CG 4.17Å; S300-R304 WeakPolarHBondContact O-CG 3.3Å; S300-R304 PolarHBondContact O-N 3.44Å; S300-R304 VanDerWaalsContact O-N 3.16Å; D302-R304 VanDerWaalsContact C-N 3.27Å; D302-R304 PolarHBondContact O-N 3.44Å; R304-R308 WeakPolarHBondContact O-CG 3.31Å; R304-R308 PolarHBondContact O-N 3.36Å; R304-R308 PolarHBondContact O-NH1 3.16Å; R304-R308 VanDerWaalsContact O-NH1 3.07Å
305R93.2Very high92.3Very high141 Ų14175.4 Ų75.453%0.53236%0.356SS..Hα-helixtrans-68.8-48.7176.4-172.6-166-58.2-128.44.2110.1K301 D302 F303 C307 R308 D309K301-R305 PolarHBondContact O-N 3.27Å; K301-R305 VanDerWaalsContact O-N 3.11Å; D302-R305 CarbonylContact O-C 3.56Å; D302-R305 WeakPolarHBondContact O-CA 3.31Å; D302-R305 VanDerWaalsContact O-CB 3.28Å; D302-R305 WeakPolarHBondContact O-CB 3.37Å; D302-R305 PolarHBondContact O-N 3.45Å; F303-R305 VanDerWaalsContact C-N 3.27Å; F303-R305 PolarHBondContact O-N 2.97Å; R305-C307 VanDerWaalsContact C-N 3.33Å; R305-C307 PolarHBondContact O-N 2.9Å; R305-R308 WeakPolarHBondContact O-CA 3.39Å; R305-R308 WeakPolarHBondContact O-CB 3.14Å; R305-R308 PolarHBondContact O-N 3.07Å; R305-D309 PolarHBondContact O-N 2.72Å
306E92.1Very high92.7Very high123 Ų12374 Ų7458%0.57534%0.342SS*.Hα-helixtrans-57.7-44.6176.4-69169-177.600111.6D302 F303 R308 D309 E310D302-E306 PolarHBondContact O-N 3.11Å; F303-E306 PolarHBondContact O-N 3.35Å; E306-R308 VanDerWaalsContact C-N 3.27Å; E306-R308 PolarHBondContact O-N 3.26Å; E306-D309 PolarHBondContact O-N 2.91Å; E306-E310 WeakPolarHBondContact O-CB 3.49Å; E306-E310 PolarHBondContact O-N 3.24Å
307C92.1Very high92.9Very high42 Ų4274.6 Ų74.628%0.28434%0.34SS..Hα-helixtrans-61.3-33.5174.6-67.40000113.4F303 R305 R311F303-C307 WeakPolarHBondContact CE1-SG 3.39Å; F303-C307 PolarHBondContact O-N 2.9Å; F303-C307 PolarHBondContact O-SG 2.74Å; R305-C307 VanDerWaalsContact C-N 3.33Å; R305-C307 PolarHBondContact O-N 2.9Å; C307-R311 WeakPolarHBondContact O-CB 3.41Å; C307-R311 PolarHBondContact O-N 3.06Å
308R95.2Very high93.2Very high51 Ų5172.6 Ų72.619%0.19233%0.328CS..Hα-helixtrans-68.6-44.9175.2-77-169-59.1-82.83.5110.9G164 P171 R304 R305 E306 E310 R311 I312G164-R308 VanDerWaalsContact O-CD 3.3Å; G164-R308 WeakPolarHBondContact O-CD 3.36Å; G164-R308 VanDerWaalsContact O-CG 3.31Å; G164-R308 WeakPolarHBondContact O-CG 3.47Å; P171-R308 HydrophobicContact CB-CB 4.32Å; P171-R308 HydrophobicContact CB-CG 3.85Å; P171-R308 HydrophobicContact CG-CB 3.62Å; P171-R308 HydrophobicContact CG-CG 3.5Å; R304-R308 WeakPolarHBondContact O-CG 3.31Å; R304-R308 PolarHBondContact O-N 3.36Å; R304-R308 PolarHBondContact O-NH1 3.16Å; R304-R308 VanDerWaalsContact O-NH1 3.07Å; R305-R308 WeakPolarHBondContact O-CA 3.39Å; R305-R308 WeakPolarHBondContact O-CB 3.14Å; R305-R308 PolarHBondContact O-N 3.07Å; E306-R308 VanDerWaalsContact C-N 3.27Å; E306-R308 PolarHBondContact O-N 3.26Å; R308-E310 VanDerWaalsContact C-N 3.34Å; R308-R311 PolarHBondContact O-N 3.48Å; R308-I312 WeakPolarHBondContact O-CD1 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.31Å; R308-I312 WeakPolarHBondContact O-CG1 3.12Å; R308-I312 PolarHBondContact O-N 3.2Å
309D94.5Very high93.3Very high57 Ų5766.6 Ų66.631%0.30530%0.3SS..Hα-helixtrans-64.6-41.6-179.9-63.4-15.4000110.5R305 E306 I312 R313R305-D309 PolarHBondContact O-N 2.72Å; E306-D309 PolarHBondContact O-N 2.91Å; D309-I312 PolarHBondContact O-N 2.85Å; D309-R313 WeakPolarHBondContact O-CB 3.23Å; D309-R313 PolarHBondContact O-N 3.48Å
310E92.6Very high93.3Very high98 Ų9867.9 Ų67.946%0.45831%0.305SS..Hα-helixtrans-63.4-41.8174.4-169.857.5-144.500111.8E306 R308 I312 R313 E314E306-E310 WeakPolarHBondContact O-CB 3.49Å; E306-E310 PolarHBondContact O-N 3.24Å; R308-E310 VanDerWaalsContact C-N 3.34Å; E310-I312 VanDerWaalsContact C-N 3.29Å; E310-I312 PolarHBondContact O-N 3.11Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 3.06Å; E310-R313 VanDerWaalsContact O-N 3.16Å; E310-R313 IonicContact OE2-CZ 3.92Å; E310-R313 IonicContact OE2-NH1 3.67Å; E310-R313 PolarHBondContact OE2-NH1 2.92Å; E310-E314 WeakPolarHBondContact O-CB 3.1Å; E310-E314 PolarHBondContact O-N 2.88Å
311R94.7Very high93.3Very high69 Ų6966.7 Ų66.726%0.2630%0.303SS..Hα-helixtrans-62.5-37.1176.5-174.762.368.1-179.18.8112.3C307 R308 E314 Y315C307-R311 WeakPolarHBondContact O-CB 3.41Å; C307-R311 PolarHBondContact O-N 3.06Å; R308-R311 PolarHBondContact O-N 3.48Å; R311-E314 IonicContact CZ-OE2 3.97Å; R311-E314 IonicContact NE-OE2 3.61Å; R311-E314 IonicContact NH1-OE1 3.47Å; R311-E314 IonicContact NH1-OE2 2.71Å; R311-E314 PolarHBondContact NH1-OE2 3.37Å; R311-Y315 PolarHBondContact O-N 2.77Å; R311-Y315 VanDerWaalsContact O-N 3.14Å
312I96.8Very high93.3Very high0 Ų061.5 Ų61.50%029%0.288CS..Hα-helixtrans-69.6-41.9175.4-62.8159.3000110.1I170 P171 R308 D309 E310 Y315 F316 L376 I430 F432I170-I312 HydrophobicContact CB-CG1 4.33Å; I170-I312 HydrophobicContact CG2-CG1 4.43Å; P171-I312 HydrophobicContact CG-CG1 4.43Å; R308-I312 WeakPolarHBondContact O-CD1 3.5Å; R308-I312 VanDerWaalsContact O-CG1 3.31Å; R308-I312 WeakPolarHBondContact O-CG1 3.12Å; R308-I312 PolarHBondContact O-N 3.2Å; D309-I312 PolarHBondContact O-N 2.85Å; E310-I312 VanDerWaalsContact C-N 3.29Å; E310-I312 PolarHBondContact O-N 3.11Å; I312-Y315 WeakPolarHBondContact O-CB 3.48Å; I312-Y315 PolarHBondContact O-N 2.88Å; I312-F316 HydrophobicContact CG2-CD2 4.09Å; I312-F316 HydrophobicContact CG2-CE2 3.81Å; I312-F316 VanDerWaalsContact O-CD2 3.27Å; I312-F316 WeakPolarHBondContact O-CD2 3.34Å; I312-F316 PolarHBondContact O-N 2.86Å; I312-L376 HydrophobicContact CD1-CD1 3.82Å; I312-L376 HydrophobicContact CG1-CD1 4.11Å; I312-L376 HydrophobicContact CG2-CD1 4.09Å; I312-L376 HydrophobicContact CG2-CD2 4.26Å; I312-I430 HydrophobicContact CD1-CG2 3.85Å; I312-F432 HydrophobicContact CB-CD2 3.94Å; I312-F432 HydrophobicContact CB-CE2 4.34Å; I312-F432 HydrophobicContact CB-CG 4.42Å; I312-F432 HydrophobicContact CG2-CB 3.83Å; I312-F432 HydrophobicContact CG2-CD1 4.07Å; I312-F432 HydrophobicContact CG2-CD2 3.5Å; I312-F432 HydrophobicContact CG2-CE2 4.03Å; I312-F432 HydrophobicContact CG2-CG 3.52Å
313R95.7Very high93.5Very high90 Ų9062.5 Ų62.534%0.3429%0.288SS..Hα-helixtrans-59.6-50175.5-177.1-178.8-68.8111.63.8111.3D309 E310 Y315 F316 Y317 F432D309-R313 WeakPolarHBondContact O-CB 3.23Å; D309-R313 PolarHBondContact O-N 3.48Å; E310-R313 WeakPolarHBondContact O-CB 3.41Å; E310-R313 PolarHBondContact O-N 3.06Å; E310-R313 VanDerWaalsContact O-N 3.16Å; E310-R313 IonicContact OE2-CZ 3.92Å; E310-R313 IonicContact OE2-NH1 3.67Å; E310-R313 PolarHBondContact OE2-NH1 2.92Å; R313-Y315 PolarHBondContact O-N 2.85Å; R313-F316 PolarHBondContact O-N 2.83Å; R313-F316 VanDerWaalsContact O-N 3.09Å; R313-Y317 HydrophobicContact CG-CD2 3.86Å; R313-Y317 WeakPolarHBondContact O-CB 3.46Å; R313-Y317 WeakPolarHBondContact O-CD2 3.25Å; R313-Y317 PolarHBondContact O-N 3.27Å; R313-F432 HydrophobicContact CB-CE2 4.25Å; R313-F432 HydrophobicContact CB-CZ 4.36Å
314E94.6Very high93.7Very high44 Ų4469.7 Ų69.721%0.20632%0.316CS..Hα-helixtrans-57.3-35.2176.7-169.4-170.1175.500111.8E310 R311 F316 G318E310-E314 WeakPolarHBondContact O-CB 3.1Å; E310-E314 PolarHBondContact O-N 2.88Å; R311-E314 IonicContact CZ-OE2 3.97Å; R311-E314 IonicContact NE-OE2 3.61Å; R311-E314 IonicContact NH1-OE1 3.47Å; R311-E314 IonicContact NH1-OE2 2.71Å; R311-E314 PolarHBondContact NH1-OE2 3.37Å; E314-F316 PolarHBondContact O-N 2.93Å; E314-G318 WeakPolarHBondContact O-CA 3.37Å; E314-G318 PolarHBondContact O-N 2.8Å
315Y96.4Very high93.9Very high58 Ų5869.1 Ų69.123%0.22732%0.317CS..Hα-helixtrans-61.9-41.9175.3174.7-97.1000113.1I170 R311 I312 R313 G396 F397 P415I170-Y315 HydrophobicContact CG2-CD1 4.15Å; I170-Y315 HydrophobicContact CG2-CD2 4.03Å; I170-Y315 HydrophobicContact CG2-CG 3.62Å; R311-Y315 PolarHBondContact O-N 2.77Å; R311-Y315 VanDerWaalsContact O-N 3.14Å; I312-Y315 WeakPolarHBondContact O-CB 3.48Å; I312-Y315 PolarHBondContact O-N 2.88Å; R313-Y315 PolarHBondContact O-N 2.85Å; Y315-G396 VanDerWaalsContact OH-CA 3.23Å; Y315-G396 WeakPolarHBondContact OH-CA 3.45Å; Y315-F397 HydrophobicContact CE1-CB 3.79Å; Y315-F397 HydrophobicContact CE1-CD2 4.15Å; Y315-F397 HydrophobicContact CE1-CG 4.49Å; Y315-F397 AromaticContact CE2-CD2 3.97Å; Y315-F397 HydrophobicContact CE2-CD2 3.97Å; Y315-F397 AromaticContact CZ-CD2 3.72Å; Y315-F397 PolarHBondContact OH-N 2.89Å; Y315-P415 HydrophobicContact CE1-CG 3.98Å
316F96.8Very high94Very high0 Ų066.1 Ų66.10%031%0.309CS..Hα-helixtrans-84.9-37.9-179.1-71-73000113.3I312 R313 E314 P325 L376 V399 L413 F432I312-F316 HydrophobicContact CG2-CD2 4.09Å; I312-F316 HydrophobicContact CG2-CE2 3.81Å; I312-F316 VanDerWaalsContact O-CD2 3.27Å; I312-F316 WeakPolarHBondContact O-CD2 3.34Å; I312-F316 PolarHBondContact O-N 2.86Å; R313-F316 PolarHBondContact O-N 2.83Å; R313-F316 VanDerWaalsContact O-N 3.09Å; E314-F316 PolarHBondContact O-N 2.93Å; F316-P325 HydrophobicContact CB-CB 4.35Å; F316-P325 HydrophobicContact CB-CG 4.39Å; F316-P325 WeakPolarHBondContact O-CD 3.23Å; F316-L376 HydrophobicContact CE2-CD2 3.89Å; F316-L376 HydrophobicContact CZ-CD2 3.93Å; F316-V399 HydrophobicContact CE1-CG1 4.49Å; F316-V399 HydrophobicContact CE2-CG1 4.16Å; F316-V399 HydrophobicContact CZ-CB 4.24Å; F316-V399 HydrophobicContact CZ-CG1 3.93Å; F316-L413 HydrophobicContact CB-CD2 4.25Å; F316-L413 HydrophobicContact CD1-CD2 4.09Å; F316-L413 HydrophobicContact CD1-CG 4.18Å; F316-L413 HydrophobicContact CD2-CD2 4.44Å; F316-L413 HydrophobicContact CG-CD2 4.01Å; F316-F432 HydrophobicContact CD2-CE1 4.35Å; F316-F432 HydrophobicContact CE2-CD1 4.48Å
317Y96Very high94.3Very high55 Ų5563.9 Ų63.922%0.21631%0.312CS..Hα-helixtrans-106.3-5.4-170.5-65.8-74.7000113.4R313 G321 C322 F323 P325 L413 D434R313-Y317 HydrophobicContact CG-CD2 3.86Å; R313-Y317 WeakPolarHBondContact O-CB 3.46Å; R313-Y317 WeakPolarHBondContact O-CD2 3.25Å; R313-Y317 PolarHBondContact O-N 3.27Å; Y317-G321 CarbonylContact O-C 3.57Å; Y317-G321 WeakPolarHBondContact O-CA 3.27Å; Y317-G321 PolarHBondContact O-N 3.24Å; Y317-C322 PolarHBondContact O-N 3.28Å; Y317-F323 PolarHBondContact O-N 3.28Å; Y317-P325 HydrophobicContact CD1-CG 3.69Å; Y317-P325 HydrophobicContact CE1-CG 3.33Å; Y317-P325 HydrophobicContact CG-CG 4.43Å; Y317-L413 HydrophobicContact CE2-CD2 4.39Å; Y317-D434 WeakPolarHBondContact CE2-OD1 3.37Å; Y317-D434 PolarHBondContact OH-OD1 3.14Å; Y317-D434 PolarHBondContact OH-OD2 3.48Å
318G93.6Very high94.5Very high5 Ų563.2 Ų63.25%0.05230%0.304CS..  trans70.9170.4-177.500000112.7E314 R320 G321 F323E314-G318 WeakPolarHBondContact O-CA 3.37Å; E314-G318 PolarHBondContact O-N 2.8Å; G318-R320 PolarHBondContact O-N 2.94Å; G318-G321 PolarHBondContact O-N 3.02Å; G318-F323 VanDerWaalsContact CA-CE2 3.5Å; G318-F323 VanDerWaalsContact N-CD2 3.27Å
319F90.4Very high94.6Very high41 Ų4165.7 Ų65.718%0.1832%0.321CS..G310 helixtrans-59.8124.8172.6-178.5-109.3000109.6E186 E187 G321 C322E186-F319 HydrophobicContact CB-CE1 4.26Å; E186-F319 HydrophobicContact CB-CZ 3.77Å; E187-F319 HydrophobicContact CG-CB 4.13Å; E187-F319 HydrophobicContact CG-CD1 3.44Å; E187-F319 VanDerWaalsContact CG-CD1 3.44Å; E187-F319 HydrophobicContact CG-CD2 4.04Å; E187-F319 HydrophobicContact CG-CE1 3.74Å; E187-F319 HydrophobicContact CG-CE2 4.32Å; E187-F319 HydrophobicContact CG-CG 3.6Å; E187-F319 HydrophobicContact CG-CZ 4.19Å; E187-F319 WeakPolarHBondContact OE1-CD1 3.33Å; F319-G321 PolarHBondContact O-N 2.85Å; F319-C322 PolarHBondContact O-N 3.05Å; F319-C322 PolarHBondContact O-SG 3.36Å
320R88.1Confident94.8Very high130 Ų13063.5 Ų63.549%0.49131%0.309SS..G310 helixtrans54.231.1-175.9-63.1-173.2170.1143.416.3115.1T67 D69 E186 G318T67-R320 VanDerWaalsContact CB-NH2 3.27Å; T67-R320 PolarHBondContact O-NH2 2.92Å; D69-R320 IonicContact OD2-NH2 2.76Å; E186-R320 IonicContact OE1-CZ 3.13Å; E186-R320 VanDerWaalsContact OE1-CZ 3.32Å; E186-R320 IonicContact OE1-NH1 2.99Å; E186-R320 PolarHBondContact OE1-NH1 2.92Å; E186-R320 IonicContact OE1-NH2 2.71Å; E186-R320 PolarHBondContact OE1-NH2 3.4Å; G318-R320 PolarHBondContact O-N 2.94Å
321G90.1Very high95Very high41 Ų4164.5 Ų64.542%0.42331%0.312SS..G310 helixtrans76.123.5172.800000114.3Y317 G318 F319 F323Y317-G321 CarbonylContact O-C 3.57Å; Y317-G321 WeakPolarHBondContact O-CA 3.27Å; Y317-G321 PolarHBondContact O-N 3.24Å; G318-G321 PolarHBondContact O-N 3.02Å; F319-G321 PolarHBondContact O-N 2.85Å; G321-F323 VanDerWaalsContact C-N 3.28Å; G321-F323 PolarHBondContact O-N 3.03Å
322C92.3Very high95.2Very high70 Ų7062.4 Ų62.447%0.47331%0.305SS..  trans-76.3-8.4-178.663.20000114.9Y317 F319Y317-C322 PolarHBondContact O-N 3.28Å; F319-C322 PolarHBondContact O-N 3.05Å; F319-C322 PolarHBondContact O-SG 3.36Å
323F94.5Very high95.1Very high117 Ų11767.1 Ų67.151%0.51334%0.338SS..  trans-105.3151174.7-55-24.7000111.9Y317 G318 G321 P325Y317-F323 PolarHBondContact O-N 3.28Å; G318-F323 VanDerWaalsContact CA-CE2 3.5Å; G318-F323 VanDerWaalsContact N-CD2 3.27Å; G321-F323 VanDerWaalsContact C-N 3.28Å; G321-F323 PolarHBondContact O-N 3.03Å; F323-P325 WeakPolarHBondContact O-CD 3.48Å
324Y95.1Very high95.1Very high192 Ų19267.1 Ų67.175%0.75335%0.345SS*.  trans-119.790-178.4-58.1-83000109.3
325P96.4Very high95.2Very high27 Ų2765.8 Ų65.818%0.17534%0.34CS..  trans-68.7157.4-178.829.2-34.6000111.5F316 Y317 F323 L413 S414F316-P325 HydrophobicContact CB-CB 4.35Å; F316-P325 HydrophobicContact CB-CG 4.39Å; F316-P325 WeakPolarHBondContact O-CD 3.23Å; Y317-P325 HydrophobicContact CD1-CG 3.69Å; Y317-P325 HydrophobicContact CE1-CG 3.33Å; Y317-P325 HydrophobicContact CG-CG 4.43Å; F323-P325 WeakPolarHBondContact O-CD 3.48Å; P325-L413 HydrophobicContact CB-CD1 3.74Å; P325-L413 HydrophobicContact CB-CD2 4.49Å; P325-L413 HydrophobicContact CB-CG 3.98Å; P325-L413 HydrophobicContact CG-CD1 3.86Å; P325-L413 HydrophobicContact CG-CD2 4.43Å; P325-L413 HydrophobicContact CG-CG 4.32Å; P325-S414 CarbonylContact C-O 3.56Å; P325-S414 WeakPolarHBondContact CA-O 3.26Å
326H96.9Very high95.2Very high78 Ų7867.3 Ų67.336%0.36135%0.347SS..EExtended strand (participates in β ladder)trans-105.1137.5-176.3-62-83.7000111.4F328 L413 S414 P417H326-F328 HydrophobicContact CB-CD1 4.13Å; H326-F328 HydrophobicContact CB-CE1 4.26Å; H326-L413 CarbonylContact O-C 3.55Å; H326-L413 WeakPolarHBondContact O-CA 3.32Å; H326-S414 PolarHBondContact N-O 3.39Å; H326-S414 PolarHBondContact O-N 3.14Å; H326-P417 VanDerWaalsContact CD2-N 3.29Å
327A96.8Very high95.1Very high77 Ų7767.6 Ų67.664%0.63635%0.349SS*.EExtended strand (participates in β ladder)trans-107.1125.2170.700000110.6V412A327-V412 VanDerWaalsContact CA-O 3.27Å; A327-V412 WeakPolarHBondContact CA-O 3.38Å
328F97.6Very high95.1Very high27 Ų2765.7 Ų65.712%0.11834%0.341CS..EExtended strand (participates in β ladder)trans-156.5161.9176.858.2-93.1000112.8H326 V330 V412 R418 L420H326-F328 HydrophobicContact CB-CD1 4.13Å; H326-F328 HydrophobicContact CB-CE1 4.26Å; F328-V330 HydrophobicContact CD2-CG2 3.95Å; F328-V330 HydrophobicContact CE2-CG2 3.69Å; F328-V412 HydrophobicContact CD2-CG2 4.17Å; F328-V412 HydrophobicContact CE1-CG2 4.39Å; F328-V412 HydrophobicContact CE2-CG2 3.87Å; F328-V412 HydrophobicContact CZ-CG2 4Å; F328-V412 PolarHBondContact N-O 3.16Å; F328-V412 PolarHBondContact O-N 2.91Å; F328-R418 HydrophobicContact CD1-CB 4.15Å; F328-R418 HydrophobicContact CD2-CB 3.82Å; F328-R418 HydrophobicContact CE1-CB 4.18Å; F328-R418 HydrophobicContact CE2-CB 3.86Å; F328-R418 HydrophobicContact CG-CB 3.96Å; F328-R418 HydrophobicContact CZ-CB 4.04Å; F328-L420 HydrophobicContact CE2-CD2 4.26Å; F328-L420 HydrophobicContact CE2-CG 4.34Å; F328-L420 HydrophobicContact CZ-CD2 3.97Å; F328-L420 HydrophobicContact CZ-CG 4.48Å
329N97.6Very high95.2Very high104 Ų10469 Ų6956%0.55635%0.354SS*.EExtended strand (participates in β ladder)trans-84.2140.1177.9-65.1-9.8000111.4V409 F410 T411N329-V409 HydrophobicContact CB-CB 4.37Å; N329-F410 WeakPolarHBondContact CA-O 3.37Å; N329-T411 PolarHBondContact OD1-OG1 2.84Å
330V97.9Very high95.2Very high10 Ų1067.7 Ų67.76%0.06135%0.35CS..EExtended strand (participates in β ladder)trans-122.1129.7172.7-179.80000108.1F328 V335 V409 F410 V412 L420F328-V330 HydrophobicContact CD2-CG2 3.95Å; F328-V330 HydrophobicContact CE2-CG2 3.69Å; V330-V335 HydrophobicContact CG1-CG1 3.75Å; V330-V335 HydrophobicContact CG1-CG2 4.39Å; V330-V409 CarbonylContact O-C 3.53Å; V330-V409 VanDerWaalsContact O-CA 3.26Å; V330-V409 WeakPolarHBondContact O-CA 3.46Å; V330-F410 HydrophobicContact CB-CD2 4.1Å; V330-F410 HydrophobicContact CB-CE1 4.45Å; V330-F410 HydrophobicContact CB-CE2 3.58Å; V330-F410 HydrophobicContact CB-CZ 3.77Å; V330-F410 HydrophobicContact CG1-CE1 4.29Å; V330-F410 HydrophobicContact CG1-CE2 3.94Å; V330-F410 HydrophobicContact CG1-CZ 3.62Å; V330-F410 HydrophobicContact CG2-CE2 4.08Å; V330-F410 PolarHBondContact N-O 2.9Å; V330-F410 PolarHBondContact O-N 2.83Å; V330-V412 HydrophobicContact CG2-CG1 4.39Å; V330-V412 HydrophobicContact CG2-CG2 3.97Å; V330-L420 HydrophobicContact CG1-CD1 4.06Å; V330-L420 HydrophobicContact CG2-CD1 4Å; V330-L420 HydrophobicContact CG2-CG 4.32Å
331K97.6Very high95.2Very high120 Ų12062.1 Ų62.152%0.52233%0.332SS..EExtended strand (participates in β ladder)trans-76.6145.9177.4-58.8175.8177.3179.40110.5S333 D334 V409K331-S333 PolarHBondContact O-N 3.23Å; K331-D334 HydrophobicContact CB-CB 4.42Å; K331-D334 WeakPolarHBondContact CB-OD2 3.46Å; K331-D334 PolarHBondContact O-N 2.88Å; K331-V409 HydrophobicContact CB-CG1 4.42Å; K331-V409 HydrophobicContact CG-CG1 3.93Å
332F97.3Very high94.6Very high25 Ų2561.4 Ų61.411%0.1132%0.323CS..G310 helixtrans-59.8-31.9175.8-62.3-4.8000112D334 V335 P368 V403 L405 Q408 V409 F410F332-D334 VanDerWaalsContact C-N 3.26Å; F332-D334 PolarHBondContact O-N 2.83Å; F332-V335 VanDerWaalsContact O-O 3.09Å; F332-P368 HydrophobicContact CB-CG 4.1Å; F332-P368 HydrophobicContact CD1-CB 3.6Å; F332-P368 HydrophobicContact CD1-CG 3.96Å; F332-P368 HydrophobicContact CD2-CB 3.76Å; F332-P368 HydrophobicContact CD2-CG 4.12Å; F332-P368 HydrophobicContact CE1-CB 3.61Å; F332-P368 HydrophobicContact CE1-CG 4.46Å; F332-P368 HydrophobicContact CE2-CB 3.79Å; F332-P368 HydrophobicContact CG-CB 3.7Å; F332-P368 HydrophobicContact CG-CG 3.79Å; F332-P368 HydrophobicContact CZ-CB 3.72Å; F332-V403 HydrophobicContact CE1-CG1 4.26Å; F332-V403 HydrophobicContact CZ-CG1 3.82Å; F332-L405 HydrophobicContact CE2-CD2 4.17Å; F332-L405 HydrophobicContact CZ-CD2 4.19Å; F332-Q408 WeakPolarHBondContact CD1-O 3.27Å; F332-Q408 HydrophobicContact CD2-CB 3.86Å; F332-Q408 HydrophobicContact CD2-CG 4.38Å; F332-Q408 HydrophobicContact CE2-CB 4.19Å; F332-Q408 HydrophobicContact CG-CB 4.25Å; F332-Q408 WeakPolarHBondContact CG-O 3.39Å; F332-Q408 PolarHBondContact N-O 2.92Å; F332-V409 WeakPolarHBondContact CE1-O 3.48Å; F332-F410 AromaticContact CD1-CD1 3.63Å; F332-F410 HydrophobicContact CD1-CD1 3.63Å; F332-F410 HydrophobicContact CD1-CE1 4.14Å; F332-F410 HydrophobicContact CE1-CB 4.21Å; F332-F410 AromaticContact CE1-CD1 3.65Å; F332-F410 HydrophobicContact CE1-CD1 3.65Å; F332-F410 HydrophobicContact CE1-CG 4.4Å
333S96.5Very high93.6Very high99 Ų9962.7 Ų62.769%0.69233%0.33SS*.G310 helixtrans-67.9-22177.156.40000114.5K331 V335K331-S333 PolarHBondContact O-N 3.23Å; S333-V335 VanDerWaalsContact C-N 3.33Å
334D95.4Very high92.2Very high90 Ų9063.5 Ų63.548%0.48135%0.345SS..G310 helixtrans-87.4-10.9-170.7-60.9-7000111.7K331 F332 N423K331-D334 HydrophobicContact CB-CB 4.42Å; K331-D334 WeakPolarHBondContact CB-OD2 3.46Å; K331-D334 PolarHBondContact O-N 2.88Å; F332-D334 VanDerWaalsContact C-N 3.26Å; F332-D334 PolarHBondContact O-N 2.83Å; D334-N423 WeakPolarHBondContact O-CB 3.48Å
335V95.6Very high90.9Very high15 Ų1557.3 Ų57.39%0.09132%0.324CS..  trans-136.7157.2-174-61.40000112.1V330 F332 S333 I337 F410 L420 N423 L425V330-V335 HydrophobicContact CG1-CG1 3.75Å; V330-V335 HydrophobicContact CG1-CG2 4.39Å; F332-V335 VanDerWaalsContact O-O 3.09Å; S333-V335 VanDerWaalsContact C-N 3.33Å; V335-I337 HydrophobicContact CG2-CD1 4.26Å; V335-I337 HydrophobicContact CG2-CG1 4.13Å; V335-F410 HydrophobicContact CG2-CE1 3.85Å; V335-F410 HydrophobicContact CG2-CZ 3.84Å; V335-L420 HydrophobicContact CG1-CD1 4.04Å; V335-N423 CarbonylContact C-O 3.55Å; V335-N423 VanDerWaalsContact CA-O 3.28Å; V335-N423 WeakPolarHBondContact CA-O 3.41Å; V335-L425 HydrophobicContact CB-CD1 3.93Å; V335-L425 HydrophobicContact CB-CG 4.29Å; V335-L425 HydrophobicContact CG1-CD1 3.96Å; V335-L425 HydrophobicContact CG1-CG 4.41Å; V335-L425 HydrophobicContact CG2-CD1 4.1Å
336K95.9Very high89.8Confident90 Ų9059.8 Ų59.839%0.39134%0.34SS..EExtended strand (participates in β ladder)trans-121.4126.6169.4-63174.2161.8-164.70108.6Y338 E386 N423 F424 L425K336-Y338 HydrophobicContact CB-CE2 3.54Å; K336-E386 IonicContact NZ-OE1 2.7Å; K336-E386 PolarHBondContact NZ-OE1 3.21Å; K336-N423 PolarHBondContact N-O 2.78Å; K336-F424 HydrophobicContact CB-CD1 4.09Å; K336-F424 HydrophobicContact CB-CE1 4.25Å; K336-F424 HydrophobicContact CD-CD1 4.16Å; K336-F424 HydrophobicContact CD-CE1 3.51Å; K336-F424 HydrophobicContact CD-CZ 4.18Å; K336-L425 PolarHBondContact O-N 2.97Å
337I96.3Very high88.4Confident7 Ų761.4 Ų61.44%0.03635%0.352CS..EExtended strand (participates in β ladder)trans-113132.5-173.2-44.9-171.5000109.2V335 V366 P368 M372 L377 F410 L425 I427V335-I337 HydrophobicContact CG2-CD1 4.26Å; V335-I337 HydrophobicContact CG2-CG1 4.13Å; I337-V366 HydrophobicContact CB-CB 4.25Å; I337-V366 HydrophobicContact CG2-CB 4.03Å; I337-V366 HydrophobicContact CG2-CG1 4.43Å; I337-V366 PolarHBondContact O-N 3Å; I337-P368 HydrophobicContact CD1-CG 4.13Å; I337-M372 HydrophobicContact CD1-CE 3.31Å; I337-M372 HydrophobicContact CD1-SD 4.07Å; I337-M372 HydrophobicContact CG2-CE 4.27Å; I337-L377 HydrophobicContact CD1-CD1 4.48Å; I337-F410 HydrophobicContact CD1-CE1 4.12Å; I337-F410 HydrophobicContact CD1-CZ 4.45Å; I337-L425 CarbonylContact C-O 3.5Å; I337-L425 WeakPolarHBondContact CA-O 3.28Å; I337-L425 HydrophobicContact CD1-CD1 4.42Å; I337-L425 HydrophobicContact CG1-CB 4.25Å; I337-L425 HydrophobicContact CG1-CD1 4.33Å; I337-L425 HydrophobicContact CG2-CB 4.39Å; I337-I427 HydrophobicContact CG2-CB 4.34Å
338Y96Very high87.4Confident14 Ų1463.1 Ų63.16%0.05536%0.359CS..EExtended strand (participates in β ladder)trans-131.3154.3179.3-58.7-93.8000111.5K336 L363 V364 P365 E386 L389 F424 L425 L426 I427K336-Y338 HydrophobicContact CB-CE2 3.54Å; Y338-L363 HydrophobicContact CD1-CB 4.16Å; Y338-V364 CarbonylContact C-O 3.46Å; Y338-V364 VanDerWaalsContact CA-O 3.29Å; Y338-V364 WeakPolarHBondContact CA-O 3.41Å; Y338-P365 HydrophobicContact CD1-CB 4.4Å; Y338-P365 HydrophobicContact CD1-CG 4.29Å; Y338-P365 HydrophobicContact CE1-CB 4.23Å; Y338-P365 HydrophobicContact CE1-CG 4Å; Y338-E386 HydrophobicContact CE1-CG 4.41Å; Y338-E386 WeakPolarHBondContact CE1-OE2 3.37Å; Y338-E386 HydrophobicContact CE2-CG 4.31Å; Y338-E386 VanDerWaalsContact CZ-CD 3.48Å; Y338-E386 PolarHBondContact OH-OE1 3.49Å; Y338-E386 PolarHBondContact OH-OE2 2.83Å; Y338-L389 HydrophobicContact CD2-CD2 3.61Å; Y338-L389 HydrophobicContact CE2-CD2 4.33Å; Y338-L389 HydrophobicContact CG-CD2 4.04Å; Y338-F424 AromaticContact CE2-CD1 3.88Å; Y338-F424 HydrophobicContact CE2-CD1 3.88Å; Y338-F424 HydrophobicContact CE2-CE1 4.19Å; Y338-L425 PolarHBondContact N-O 2.79Å; Y338-L426 CarbonylContact O-C 3.46Å; Y338-L426 VanDerWaalsContact O-CA 3.32Å; Y338-L426 WeakPolarHBondContact O-CA 3.32Å; Y338-I427 PolarHBondContact O-N 2.98Å
339K94.1Very high86.1Confident75 Ų7565.6 Ų65.633%0.32638%0.379SS..EExtended strand (participates in β ladder)trans-113.6135.8164.3-176.6162.8175.5159.80108.8V364 V366 I427 D429K339-V364 PolarHBondContact N-O 3.19Å; K339-V364 PolarHBondContact O-N 3.15Å; K339-V366 HydrophobicContact CB-CG2 3.87Å; K339-I427 HydrophobicContact CB-CG2 3.73Å; K339-I427 HydrophobicContact CD-CG2 4.29Å; K339-I427 HydrophobicContact CG-CG2 4.18Å; K339-D429 IonicContact NZ-OD1 2.71Å; K339-D429 PolarHBondContact NZ-OD1 2.99Å; K339-D429 IonicContact NZ-OD2 3.16Å
340V92.2Very high84.9Confident14 Ų1462.1 Ų62.19%0.08536%0.36CS..EExtended strand (participates in β ladder)trans-86.1126.2175.3-167.60000109.4L210 L363 L426L210-V340 HydrophobicContact CD1-CG1 3.9Å; L210-V340 HydrophobicContact CD2-CB 3.92Å; L210-V340 HydrophobicContact CD2-CG1 3.65Å; L210-V340 HydrophobicContact CG-CG1 4.33Å; V340-L363 HydrophobicContact CG2-CD2 3.92Å; V340-L426 HydrophobicContact CG2-CD2 3.93Å
341G86.9Confident83.7Confident12 Ų1265.2 Ų65.212%0.12438%0.38CS..SBendtrans92120.5-176.600000111.7N359 Q360 K362G341-N359 WeakPolarHBondContact CA-O 3.29Å; G341-Q360 VanDerWaalsContact CA-O 3.23Å; G341-Q360 WeakPolarHBondContact CA-O 3.4Å; G341-K362 PolarHBondContact N-O 2.83Å
342A78.1Confident82.3Confident26 Ų2668.3 Ų68.322%0.21540%0.402CS..  trans-75.9152.7172.400000111.1N359 K362 V364A342-N359 HydrophobicContact CB-CB 4.11Å; A342-N359 PolarHBondContact N-O 2.83Å; A342-K362 HydrophobicContact CB-CD 4.42Å; A342-V364 HydrophobicContact CB-CG2 3.76Å
343P70.4Confident80.9Confident98 Ų9871.2 Ų71.264%0.63644%0.439SS*.  trans-53.7142.6175.6-22.932.1000111.4I345P343-I345 PolarHBondContact O-N 3.23Å
344T66.6Low79.6Confident133 Ų13369.8 Ų69.882%0.81642%0.422SS*.  trans-64.2110.8171.546.50000109.1
345I67.3Low78.4Confident63 Ų6367.8 Ų67.832%0.32342%0.415SS..  trans-101.3147171.851.1173.2000109.5P343 C349 L350P343-I345 PolarHBondContact O-N 3.23Å; I345-C349 HydrophobicContact CB-CB 4.3Å; I345-C349 HydrophobicContact CD1-CB 4.39Å; I345-L350 HydrophobicContact CD1-CD2 3.85Å; I345-L350 HydrophobicContact CG1-CD2 3.87Å; I345-L350 HydrophobicContact CG1-CG 4.48Å
346P72.1Confident77Confident79 Ų7971.3 Ų71.351%0.51343%0.43SS..  trans-55.4151.4175.3-23.933.7000111.8S348 C349P346-S348 PolarHBondContact O-N 2.85Å; P346-S348 VanDerWaalsContact O-N 3.11Å; P346-C349 WeakPolarHBondContact O-CA 3.45Å; P346-C349 WeakPolarHBondContact O-CB 3.35Å; P346-C349 PolarHBondContact O-N 2.92Å
347D68.8Low75.6Confident112 Ų11272.5 Ų72.560%0.59944%0.437SS*.G310 helixtrans-57.4-30.8-179.4-68.4-22.5000112.7C349 L350 Q356D347-C349 PolarHBondContact O-N 3.39Å; D347-L350 PolarHBondContact O-N 3.47Å; D347-Q356 WeakPolarHBondContact OD1-CG 3.44Å; D347-Q356 PolarHBondContact OD1-NE2 3.31Å
348S75Confident74.4Confident113 Ų11376.3 Ų76.379%0.7946%0.458SS*.G310 helixtrans-65.6-14.9175.355.60000114.3P346P346-S348 PolarHBondContact O-N 2.85Å; P346-S348 VanDerWaalsContact O-N 3.11Å
349C71.4Confident73.8Confident79 Ų7976.3 Ų76.353%0.53446%0.459SS..G310 helixtrans-106.61.2179.7-59.60000112.9I345 P346 D347I345-C349 HydrophobicContact CB-CB 4.3Å; I345-C349 HydrophobicContact CD1-CB 4.39Å; P346-C349 WeakPolarHBondContact O-CA 3.45Å; P346-C349 WeakPolarHBondContact O-CB 3.35Å; P346-C349 PolarHBondContact O-N 2.92Å; D347-C349 PolarHBondContact O-N 3.39Å
350L72.1Confident73.3Confident31 Ų3175.6 Ų75.616%0.16246%0.456CS..SBendtrans-77.8138.4176.7-70.2170.8000111I345 D347 Q356 N359I345-L350 HydrophobicContact CD1-CD2 3.85Å; I345-L350 HydrophobicContact CG1-CD2 3.87Å; I345-L350 HydrophobicContact CG1-CG 4.48Å; D347-L350 PolarHBondContact O-N 3.47Å; L350-Q356 HydrophobicContact CD1-CG 3.81Å; L350-N359 WeakPolarHBondContact CD2-ND2 3.45Å
351P73.1Confident73Confident75 Ų7578.1 Ų78.149%0.48747%0.469SS..PPolyproline II helixtrans-58.2147.8170-23.734.8000111.9G353 M354P351-G353 PolarHBondContact O-N 3.09Å; P351-G353 VanDerWaalsContact O-N 3.16Å; P351-M354 HydrophobicContact CB-CG 4.15Å; P351-M354 HydrophobicContact CB-SD 3.87Å; P351-M354 HydrophobicContact CG-CG 4.47Å; P351-M354 HydrophobicContact CG-SD 3.64Å; P351-M354 PolarHBondContact O-N 3.06Å
352L68Low73.1Confident185 Ų18582.9 Ų82.997%0.96949%0.486SS*.THydrogen-bonded Turntrans-54121.2177.5-76160.8000110.7
353G66.8Low73.7Confident86 Ų8683.5 Ų83.589%0.88749%0.486SS*.THydrogen-bonded Turntrans90.5-1.9179.500000115.5P351P351-G353 PolarHBondContact O-N 3.09Å; P351-G353 VanDerWaalsContact O-N 3.16Å
354M70.4Confident74.8Confident69 Ų6981 Ų8134%0.3447%0.469SS..  trans-96.1139.1172.9-67.6-171.768.500111.6P351 D358 N359P351-M354 HydrophobicContact CB-CG 4.15Å; P351-M354 HydrophobicContact CB-SD 3.87Å; P351-M354 HydrophobicContact CG-CG 4.47Å; P351-M354 HydrophobicContact CG-SD 3.64Å; P351-M354 PolarHBondContact O-N 3.06Å; M354-D358 HydrophobicContact CE-CB 4.32Å; M354-N359 WeakPolarHBondContact CE-OD1 3.31Å
355S70.3Confident76.1Confident48 Ų4879 Ų7934%0.33646%0.458SS..  trans-97.715717068.70000111E357 D358S355-E357 PolarHBondContact O-N 3.42Å; S355-E357 VanDerWaalsContact OG-CB 3.25Å; S355-E357 WeakPolarHBondContact OG-CB 3.36Å; S355-E357 PolarHBondContact OG-N 3.15Å; S355-D358 WeakPolarHBondContact CB-OD2 3.5Å; S355-D358 PolarHBondContact N-OD2 3.34Å; S355-D358 PolarHBondContact O-N 3.36Å; S355-D358 PolarHBondContact OG-N 2.65Å; S355-D358 PolarHBondContact OG-OD2 2.88Å
356Q66.3Low77.4Confident88 Ų8877.3 Ų77.341%0.41145%0.451SS..THydrogen-bonded Turntrans-53.8-28.8169.3-68.4-169.33.500112D347 L350 D358 N359D347-Q356 WeakPolarHBondContact OD1-CG 3.44Å; D347-Q356 PolarHBondContact OD1-NE2 3.31Å; L350-Q356 HydrophobicContact CD1-CG 3.81Å; Q356-D358 VanDerWaalsContact C-N 3.33Å; Q356-D358 PolarHBondContact O-N 2.9Å; Q356-N359 WeakPolarHBondContact O-CB 3.44Å; Q356-N359 PolarHBondContact O-N 3.29Å
357E66.5Low78.5Confident115 Ų11579.4 Ų79.454%0.53746%0.462SS..THydrogen-bonded Turntrans-68-26.9-179.5-94.7-161.9-149.400114K209 S355 N359K209-E357 VanDerWaalsContact CE-OE2 3.3Å; K209-E357 WeakPolarHBondContact CE-OE2 3.27Å; K209-E357 VanDerWaalsContact NZ-CG 3.28Å; K209-E357 PolarHBondContact NZ-O 3.23Å; K209-E357 IonicContact NZ-OE2 3.37Å; K209-E357 PolarHBondContact NZ-OE2 3.11Å; S355-E357 PolarHBondContact O-N 3.42Å; S355-E357 VanDerWaalsContact OG-CB 3.25Å; S355-E357 WeakPolarHBondContact OG-CB 3.36Å; S355-E357 PolarHBondContact OG-N 3.15Å; E357-N359 VanDerWaalsContact C-N 3.34Å
358D71Confident79.7Confident88 Ų8875.3 Ų75.347%0.47144%0.442SS..THydrogen-bonded Turntrans-77.8-23176.3-60.4-48.4000112M354 S355 Q356 Q360M354-D358 HydrophobicContact CE-CB 4.32Å; S355-D358 WeakPolarHBondContact CB-OD2 3.5Å; S355-D358 PolarHBondContact N-OD2 3.34Å; S355-D358 PolarHBondContact O-N 3.36Å; S355-D358 PolarHBondContact OG-N 2.65Å; S355-D358 PolarHBondContact OG-OD2 2.88Å; Q356-D358 VanDerWaalsContact C-N 3.33Å; Q356-D358 PolarHBondContact O-N 2.9Å; D358-Q360 VanDerWaalsContact C-N 3.35Å
359N81.6Confident80.6Confident14 Ų1470.5 Ų70.58%0.07541%0.41CS..SBendtrans-77.7-19.7179.6-76-21.5000113.3G341 A342 L350 M354 Q356 E357 L361 K362G341-N359 WeakPolarHBondContact CA-O 3.29Å; A342-N359 HydrophobicContact CB-CB 4.11Å; A342-N359 PolarHBondContact N-O 2.83Å; L350-N359 WeakPolarHBondContact CD2-ND2 3.45Å; M354-N359 WeakPolarHBondContact CE-OD1 3.31Å; Q356-N359 WeakPolarHBondContact O-CB 3.44Å; Q356-N359 PolarHBondContact O-N 3.29Å; E357-N359 VanDerWaalsContact C-N 3.34Å; N359-L361 PolarHBondContact O-N 3.43Å; N359-K362 WeakPolarHBondContact O-CB 3.37Å; N359-K362 PolarHBondContact O-N 3.27Å
360Q83.7Confident81.7Confident59 Ų5975.9 Ų75.928%0.27642%0.419SS..THydrogen-bonded Turntrans-69.4-29.5-173.4-68.6-177.1-10.500113.5N207 K209 G341 D358N207-Q360 PolarHBondContact ND2-O 2.84Å; K209-Q360 HydrophobicContact CB-CB 4.43Å; K209-Q360 HydrophobicContact CD-CB 4.3Å; G341-Q360 VanDerWaalsContact CA-O 3.23Å; G341-Q360 WeakPolarHBondContact CA-O 3.4Å; D358-Q360 VanDerWaalsContact C-N 3.35Å
361L87.6Confident82.8Confident67 Ų6779.4 Ų79.435%0.35144%0.438SS..THydrogen-bonded Turntrans-101.3-0.1177.9-61-179.5000113K209 L210 N359 L363K209-L361 HydrophobicContact CB-CD2 4.22Å; K209-L361 HydrophobicContact CB-CG 4.45Å; L210-L361 HydrophobicContact CB-CD2 3.95Å; L210-L361 HydrophobicContact CD1-CD2 4.18Å; N359-L361 PolarHBondContact O-N 3.43Å; L361-L363 PolarHBondContact O-N 3.43Å
362K88.6Confident83.8Confident112 Ų11275.8 Ų75.849%0.48742%0.415SS..  trans-68132.7-177.5-172.2174-178.7177.30110.7G341 A342 N359G341-K362 PolarHBondContact N-O 2.83Å; A342-K362 HydrophobicContact CB-CD 4.42Å; N359-K362 WeakPolarHBondContact O-CB 3.37Å; N359-K362 PolarHBondContact O-N 3.27Å
363L90.9Very high85.2Confident39 Ų3968.7 Ų68.720%0.20438%0.379CS..EExtended strand (participates in β ladder)trans-80.2123.9169.7-64.7171.3000109.4Y338 V340 L361 E386 L389 L426Y338-L363 HydrophobicContact CD1-CB 4.16Å; V340-L363 HydrophobicContact CG2-CD2 3.92Å; L361-L363 PolarHBondContact O-N 3.43Å; L363-E386 WeakPolarHBondContact CD1-O 3.28Å; L363-L389 HydrophobicContact CD1-CB 3.6Å; L363-L389 HydrophobicContact CD1-CD2 4.38Å; L363-L389 HydrophobicContact CD2-CB 4.19Å; L363-L389 HydrophobicContact CD2-CD2 4.4Å; L363-L426 HydrophobicContact CD2-CD2 4.44Å
364V92.3Very high86.7Confident45 Ų4567.6 Ų67.627%0.27335%0.35SS..EExtended strand (participates in β ladder)trans-109.5118.5177-178.50000108.6Y338 K339 A342Y338-V364 CarbonylContact C-O 3.46Å; Y338-V364 VanDerWaalsContact CA-O 3.29Å; Y338-V364 WeakPolarHBondContact CA-O 3.41Å; K339-V364 PolarHBondContact N-O 3.19Å; K339-V364 PolarHBondContact O-N 3.15Å; A342-V364 HydrophobicContact CB-CG2 3.76Å
365P94.3Very high88Confident91 Ų9165.1 Ų65.159%0.59134%0.338SS*.EExtended strand (participates in β ladder)trans-59.2138173.2-19.629.8000110.8Y338Y338-P365 HydrophobicContact CD1-CB 4.4Å; Y338-P365 HydrophobicContact CD1-CG 4.29Å; Y338-P365 HydrophobicContact CE1-CB 4.23Å; Y338-P365 HydrophobicContact CE1-CG 4Å
366V95.1Very high89.3Confident29 Ų2962.9 Ų62.918%0.17632%0.322CS..  trans-113116.3178.4178.60000108.3I337 K339 I427I337-V366 HydrophobicContact CB-CB 4.25Å; I337-V366 HydrophobicContact CG2-CB 4.03Å; I337-V366 HydrophobicContact CG2-CG1 4.43Å; I337-V366 PolarHBondContact O-N 3Å; K339-V366 HydrophobicContact CB-CG2 3.87Å; V366-I427 HydrophobicContact CG2-CG2 3.98Å
367T94.4Very high90.8Very high122 Ų12258.7 Ų58.775%0.74830%0.303SS*.  trans-72.4128.1173.5-55.70000109.3G369T367-G369 PolarHBondContact O-N 3.42Å
368P94.9Very high92.3Very high27 Ų2753.2 Ų53.218%0.17528%0.277CS..  trans-57.5128.4177.9-27.135.8000113.3F332 I337 M372F332-P368 HydrophobicContact CB-CG 4.1Å; F332-P368 HydrophobicContact CD1-CB 3.6Å; F332-P368 HydrophobicContact CD1-CG 3.96Å; F332-P368 HydrophobicContact CD2-CB 3.76Å; F332-P368 HydrophobicContact CD2-CG 4.12Å; F332-P368 HydrophobicContact CE1-CB 3.61Å; F332-P368 HydrophobicContact CE1-CG 4.46Å; F332-P368 HydrophobicContact CE2-CB 3.79Å; F332-P368 HydrophobicContact CG-CB 3.7Å; F332-P368 HydrophobicContact CG-CG 3.79Å; F332-P368 HydrophobicContact CZ-CB 3.72Å; I337-P368 HydrophobicContact CD1-CG 4.13Å; P368-M372 VanDerWaalsContact CA-SD 3.52Å; P368-M372 HydrophobicContact CB-SD 4.07Å
369G93.9Very high93.6Very high12 Ų1249.2 Ų49.212%0.12426%0.256CS..  trans-152.5167.8-172.500000113T367 D371 M372T367-G369 PolarHBondContact O-N 3.42Å; G369-D371 VanDerWaalsContact CA-OD1 3.31Å; G369-D371 WeakPolarHBondContact CA-OD1 3.34Å; G369-D371 PolarHBondContact O-N 2.78Å; G369-M372 VanDerWaalsContact O-CB 3.32Å; G369-M372 WeakPolarHBondContact O-CB 3.48Å; G369-M372 PolarHBondContact O-N 3.48Å
370R94.6Very high94.3Very high192 Ų19248.5 Ų48.573%0.72525%0.252SS*.G310 helixtrans-62.3-22.4-179.7-68-175.6179.1-163.5-0113.1M372 V373 L405R370-M372 PolarHBondContact O-N 3.2Å; R370-V373 WeakPolarHBondContact O-CB 3.5Å; R370-V373 VanDerWaalsContact O-CG2 3.27Å; R370-V373 WeakPolarHBondContact O-CG2 3.36Å; R370-V373 PolarHBondContact O-N 2.97Å; R370-L405 HydrophobicContact CG-CD1 4.19Å
371D93.9Very high94.9Very high104 Ų10447.8 Ų47.856%0.55625%0.252SS*.G310 helixtrans-67.8-18.7175.461.1-44.4000113.5G369 V373 H375G369-D371 VanDerWaalsContact CA-OD1 3.31Å; G369-D371 WeakPolarHBondContact CA-OD1 3.34Å; G369-D371 PolarHBondContact O-N 2.78Å; D371-V373 VanDerWaalsContact C-N 3.27Å; D371-V373 PolarHBondContact O-N 2.85Å; D371-H375 PolarHBondContact O-CD2 2.81Å
372M95.4Very high95Very high0 Ų045 Ų450%024%0.239CC..G310 helixtrans-74.8-14.1174.5-68.3-176.967.700114I337 P368 G369 R370 H374 H375 L377 V400 I427I337-M372 HydrophobicContact CD1-CE 3.31Å; I337-M372 HydrophobicContact CD1-SD 4.07Å; I337-M372 HydrophobicContact CG2-CE 4.27Å; P368-M372 VanDerWaalsContact CA-SD 3.52Å; P368-M372 HydrophobicContact CB-SD 4.07Å; G369-M372 VanDerWaalsContact O-CB 3.32Å; G369-M372 WeakPolarHBondContact O-CB 3.48Å; G369-M372 PolarHBondContact O-N 3.48Å; R370-M372 PolarHBondContact O-N 3.2Å; M372-H374 PolarHBondContact O-N 3.11Å; M372-H375 WeakPolarHBondContact O-CB 3.2Å; M372-H375 PolarHBondContact O-N 2.8Å; M372-L377 HydrophobicContact CE-CD1 3.89Å; M372-L377 HydrophobicContact CE-CD2 4Å; M372-V400 HydrophobicContact CE-CG2 4.23Å; M372-V400 WeakPolarHBondContact O-CB 3.43Å; M372-I427 HydrophobicContact CG-CD1 4.11Å
373V96.9Very high94.8Very high36 Ų3647.1 Ų47.122%0.21825%0.25CS..THydrogen-bonded Turntrans-57.1133.6-178.91770000109.6R370 D371 H375 V403R370-V373 WeakPolarHBondContact O-CB 3.5Å; R370-V373 VanDerWaalsContact O-CG2 3.27Å; R370-V373 WeakPolarHBondContact O-CG2 3.36Å; R370-V373 PolarHBondContact O-N 2.97Å; D371-V373 VanDerWaalsContact C-N 3.27Å; D371-V373 PolarHBondContact O-N 2.85Å; V373-H375 PolarHBondContact O-N 3.09Å; V373-V403 HydrophobicContact CG2-CB 4.29Å; V373-V403 HydrophobicContact CG2-CG2 3.77Å
374H97.2Very high93.9Very high62 Ų6248.6 Ų48.629%0.28728%0.275SS..THydrogen-bonded Turntrans69-2.1-174.6-49.7-44.2000115.9M372 V400 R431 F432 M433M372-H374 PolarHBondContact O-N 3.11Å; H374-V400 VanDerWaalsContact CA-O 3.27Å; H374-V400 WeakPolarHBondContact CA-O 3.41Å; H374-V400 PolarHBondContact N-O 3.4Å; H374-R431 HydrophobicContact CB-CB 4.31Å; H374-R431 CarbonylContact O-C 3.55Å; H374-R431 WeakPolarHBondContact O-CA 3.41Å; H374-R431 WeakPolarHBondContact O-CB 3.47Å; H374-F432 WeakPolarHBondContact CB-O 3.35Å; H374-F432 PolarHBondContact O-N 3.28Å; H374-M433 HydrophobicContact CB-CG 4.1Å
375H97.9Very high93Very high18 Ų1850.3 Ų50.38%0.08329%0.285CS..EExtended strand (participates in β ladder)trans-71139.1172.7-80.8-94.4000111.4D371 M372 V373 V400 I427 M428 R431D371-H375 PolarHBondContact O-CD2 2.81Å; M372-H375 WeakPolarHBondContact O-CB 3.2Å; M372-H375 PolarHBondContact O-N 2.8Å; V373-H375 PolarHBondContact O-N 3.09Å; H375-V400 PolarHBondContact O-N 3.37Å; H375-V400 VanDerWaalsContact O-N 3.13Å; H375-I427 HydrophobicContact CB-CD1 4.03Å; H375-I427 HydrophobicContact CB-CG1 4Å; H375-M428 PolarHBondContact ND1-O 2.98Å; H375-R431 PolarHBondContact CD2-NE 3.17Å; H375-R431 VanDerWaalsContact NE2-CZ 3.34Å; H375-R431 PolarHBondContact NE2-NE 3.23Å; H375-R431 PolarHBondContact NE2-NH2 2.82Å
376L98.3Very high92.2Very high0 Ų049.4 Ų49.40%027%0.273CS..EExtended strand (participates in β ladder)trans-76.9139165.5-74.7161000109.9I170 I312 F316 I398 V399 M428 I430 F432I170-L376 HydrophobicContact CD1-CD1 4Å; I312-L376 HydrophobicContact CD1-CD1 3.82Å; I312-L376 HydrophobicContact CG1-CD1 4.11Å; I312-L376 HydrophobicContact CG2-CD1 4.09Å; I312-L376 HydrophobicContact CG2-CD2 4.26Å; F316-L376 HydrophobicContact CE2-CD2 3.89Å; F316-L376 HydrophobicContact CZ-CD2 3.93Å; L376-I398 CarbonylContact C-O 3.48Å; L376-I398 WeakPolarHBondContact CA-O 3.11Å; L376-V399 HydrophobicContact CD2-CB 3.87Å; L376-M428 HydrophobicContact CB-CB 4.24Å; L376-M428 HydrophobicContact CB-CG 4.25Å; L376-M428 HydrophobicContact CB-SD 3.73Å; L376-M428 WeakPolarHBondContact O-CB 3.44Å; L376-M428 WeakPolarHBondContact O-CG 3.48Å; L376-M428 PolarHBondContact O-N 3.12Å; L376-I430 HydrophobicContact CD1-CB 4.29Å; L376-I430 HydrophobicContact CD1-CG2 3.82Å; L376-I430 PolarHBondContact N-O 3.12Å; L376-I430 VanDerWaalsContact N-O 3.12Å; L376-F432 HydrophobicContact CD1-CB 4.46Å; L376-F432 HydrophobicContact CG-CB 4.43Å
377L98.3Very high91Very high0 Ų055 Ų550%030%0.297CS..EExtended strand (participates in β ladder)trans-118.2129.5173.4-51.7-179000108.7I337 M372 F397 I398 V400 L425 L426 I427I337-L377 HydrophobicContact CD1-CD1 4.48Å; M372-L377 HydrophobicContact CE-CD1 3.89Å; M372-L377 HydrophobicContact CE-CD2 4Å; L377-F397 VanDerWaalsContact O-CA 3.32Å; L377-F397 WeakPolarHBondContact O-CA 3.4Å; L377-I398 HydrophobicContact CB-CD1 4.41Å; L377-I398 HydrophobicContact CB-CG1 3.82Å; L377-I398 HydrophobicContact CD1-CD1 4.39Å; L377-I398 HydrophobicContact CD1-CG1 4.41Å; L377-I398 HydrophobicContact CG-CG1 4.45Å; L377-I398 PolarHBondContact N-O 2.95Å; L377-I398 PolarHBondContact O-N 3.32Å; L377-V400 HydrophobicContact CD1-CG2 3.7Å; L377-V400 HydrophobicContact CG-CG2 4.11Å; L377-L425 HydrophobicContact CB-CB 4.47Å; L377-L425 HydrophobicContact CD1-CD1 3.79Å; L377-L426 CarbonylContact C-O 3.59Å; L377-L426 WeakPolarHBondContact CA-O 3.27Å; L377-I427 HydrophobicContact CD2-CB 3.73Å; L377-I427 HydrophobicContact CD2-CD1 4.25Å; L377-I427 HydrophobicContact CD2-CG1 3.69Å
378S98.3Very high90.3Very high0 Ų053.7 Ų53.70%029%0.286CS..EExtended strand (participates in β ladder)trans-84.5130.2169.7-41.70000109.8H198 S380 F397 L425 L426H198-S378 PolarHBondContact ND1-OG 3.44Å; S378-S380 PolarHBondContact O-N 2.66Å; S378-F397 WeakPolarHBondContact OG-CD1 3.49Å; S378-F397 VanDerWaalsContact OG-CE1 3.27Å; S378-F397 WeakPolarHBondContact OG-CE1 3.33Å; S378-L425 CarbonylContact O-C 2.99Å; S378-L425 WeakPolarHBondContact O-CA 3.42Å; S378-L426 PolarHBondContact N-O 3.13Å; S378-L426 PolarHBondContact O-N 2.91Å
379V97.6Very high90Very high4 Ų452.4 Ų52.42%0.02428%0.278CS..EExtended strand (participates in β ladder)trans-89.3104.1177.4-1750000108V394 A395 G396 I398 P421 K422 L425V379-V394 CarbonylContact O-C 3.58Å; V379-V394 VanDerWaalsContact O-CA 3.29Å; V379-V394 WeakPolarHBondContact O-CA 3.42Å; V379-V394 WeakPolarHBondContact O-CB 3.28Å; V379-A395 HydrophobicContact CG1-CB 4.47Å; V379-A395 PolarHBondContact O-N 3.46Å; V379-G396 PolarHBondContact N-O 2.91Å; V379-I398 HydrophobicContact CG2-CD1 4.25Å; V379-I398 HydrophobicContact CG2-CG1 4.37Å; V379-I398 HydrophobicContact CG2-CG2 4.19Å; V379-P421 HydrophobicContact CG1-CG 4.01Å; V379-K422 HydrophobicContact CG1-CB 3.93Å; V379-L425 HydrophobicContact CB-CD2 4.2Å; V379-L425 HydrophobicContact CG1-CD2 4.22Å; V379-L425 HydrophobicContact CG2-CD2 3.82Å
380S96.9Very high89.7Confident0 Ų052.4 Ų52.40%028%0.276CS..EExtended strand (participates in β ladder)trans-71.9145-176.2-176.20000111.8S378 A382 L389 K422 F424S378-S380 PolarHBondContact O-N 2.66Å; S380-A382 PolarHBondContact O-N 2.72Å; S380-A382 PolarHBondContact OG-N 2.72Å; S380-L389 VanDerWaalsContact OG-CD1 3.24Å; S380-L389 WeakPolarHBondContact OG-CD1 3.39Å; S380-K422 WeakPolarHBondContact O-CB 3.41Å; S380-K422 VanDerWaalsContact O-CG 3.25Å; S380-K422 WeakPolarHBondContact O-CG 3.3Å; S380-F424 PolarHBondContact N-O 2.81Å
381T94.8Very high89.4Confident43 Ų4345 Ų4526%0.26425%0.249SC..  trans-79.2-3.1174.459.70000113.8T392 S393 A395T381-T392 WeakPolarHBondContact OG1-CG2 3.44Å; T381-S393 PolarHBondContact N-O 2.75Å; T381-S393 PolarHBondContact OG1-O 2.93Å; T381-S393 PolarHBondContact OG1-OG 2.88Å; T381-A395 HydrophobicContact CG2-CB 4.05Å
382A91.5Very high89.4Confident10 Ų1041.5 Ų41.58%0.08323%0.232CC..  trans-53144.6-175.500000113.4S380 L389 T392 F424S380-A382 PolarHBondContact O-N 2.72Å; S380-A382 PolarHBondContact OG-N 2.72Å; A382-L389 HydrophobicContact CB-CD1 3.68Å; A382-T392 HydrophobicContact CB-CG2 3.88Å; A382-T392 VanDerWaalsContact N-CG2 3.35Å; A382-F424 HydrophobicContact CB-CD2 4.25Å
383E82.5Confident89.5Confident156 Ų15642.9 Ų42.973%0.72924%0.242SC*.  trans-119.3129.3179-57.2-165.4158.600109.8T385 K422E383-T385 PolarHBondContact O-N 2.94Å; E383-K422 IonicContact OE1-NZ 2.76Å; E383-K422 PolarHBondContact OE1-NZ 2.9Å
384G74Confident89.5Confident69 Ų6941.9 Ų41.971%0.71124%0.235SC*.SBendtrans78.2-80.8174.300000114.4
385T73.1Confident89.4Confident81 Ų8141.7 Ų41.750%0.49725%0.245SC..  trans-100.5153.9-165.255.10000113.7E383 E387E383-T385 PolarHBondContact O-N 2.94Å; T385-E387 PolarHBondContact O-N 3.19Å
386E76.1Confident89.4Confident72 Ų7241.4 Ų41.434%0.33625%0.246SC..SBendtrans-74.4-12.5173.9-67.4163.1-148.700112.6K336 Y338 L363 N388 L389 F424K336-E386 IonicContact NZ-OE1 2.7Å; K336-E386 PolarHBondContact NZ-OE1 3.21Å; Y338-E386 HydrophobicContact CE1-CG 4.41Å; Y338-E386 WeakPolarHBondContact CE1-OE2 3.37Å; Y338-E386 HydrophobicContact CE2-CG 4.31Å; Y338-E386 VanDerWaalsContact CZ-CD 3.48Å; Y338-E386 PolarHBondContact OH-OE1 3.49Å; Y338-E386 PolarHBondContact OH-OE2 2.83Å; L363-E386 WeakPolarHBondContact CD1-O 3.28Å; E386-N388 PolarHBondContact O-N 3.12Å; E386-L389 PolarHBondContact O-N 3.05Å; E386-F424 HydrophobicContact CG-CD1 4.48Å; E386-F424 HydrophobicContact CG-CE1 3.59Å; E386-F424 HydrophobicContact CG-CZ 4.16Å
387E71.1Confident89.4Confident146 Ų14641.6 Ų41.668%0.68225%0.247SC*.THydrogen-bonded Turntrans-60.4125.8176.3-63-176.8-177.900110.2T385 L389T385-E387 PolarHBondContact O-N 3.19Å; E387-L389 PolarHBondContact O-N 3.13Å
388N80.4Confident89.4Confident96 Ų9641.7 Ų41.751%0.51325%0.248SC..THydrogen-bonded Turntrans70.320.6179-44.9-49.1000116.1E386 S390 E391 T392E386-N388 PolarHBondContact O-N 3.12Å; N388-S390 PolarHBondContact O-N 3.38Å; N388-S390 VanDerWaalsContact O-N 3.16Å; N388-E391 HydrophobicContact CB-CB 4.37Å; N388-E391 CarbonylContact O-C 3.58Å; N388-E391 WeakPolarHBondContact O-CA 3.27Å; N388-E391 PolarHBondContact O-N 3.22Å; N388-T392 PolarHBondContact O-N 2.85Å; N388-T392 PolarHBondContact O-OG1 2.87Å
389L88.1Confident89.4Confident0 Ų041.7 Ų41.70%025%0.248CC..G310 helixtrans-55.7-34.3177-16666.3000112.8Y338 L363 S380 A382 E386 E387 E391 T392 F424 L426Y338-L389 HydrophobicContact CD2-CD2 3.61Å; Y338-L389 HydrophobicContact CE2-CD2 4.33Å; Y338-L389 HydrophobicContact CG-CD2 4.04Å; L363-L389 HydrophobicContact CD1-CB 3.6Å; L363-L389 HydrophobicContact CD1-CD2 4.38Å; L363-L389 HydrophobicContact CD2-CB 4.19Å; L363-L389 HydrophobicContact CD2-CD2 4.4Å; S380-L389 VanDerWaalsContact OG-CD1 3.24Å; S380-L389 WeakPolarHBondContact OG-CD1 3.39Å; A382-L389 HydrophobicContact CB-CD1 3.68Å; E386-L389 PolarHBondContact O-N 3.05Å; E387-L389 PolarHBondContact O-N 3.13Å; L389-E391 PolarHBondContact O-N 2.75Å; L389-T392 PolarHBondContact O-N 2.68Å; L389-F424 HydrophobicContact CD1-CB 3.79Å; L389-F424 HydrophobicContact CD1-CG 4.15Å; L389-L426 HydrophobicContact CD2-CD2 3.55Å; L389-L426 HydrophobicContact CD2-CG 4.18Å; L389-L426 HydrophobicContact CG-CD1 4.32Å; L389-L426 HydrophobicContact CG-CD2 3.94Å; L389-L426 HydrophobicContact CG-CG 4.26Å
390S86.9Confident89.4Confident12 Ų1241.5 Ų41.58%0.08425%0.247CC..G310 helixtrans-69.3-16.7175.555.30000114.6N388N388-S390 PolarHBondContact O-N 3.38Å; N388-S390 VanDerWaalsContact O-N 3.16Å
391E89Confident89.4Confident36 Ų3643.9 Ų43.917%0.16826%0.261CS..G310 helixtrans-110.98.2-178.5-56.1-177.4-134.300112.4Y197 K213 R217 N388 L389Y197-E391 VanDerWaalsContact CE1-O 3.25Å; Y197-E391 WeakPolarHBondContact CE1-O 3.44Å; K213-E391 WeakPolarHBondContact CE-OE1 3Å; K213-E391 WeakPolarHBondContact CE-OE2 3.09Å; K213-E391 HydrophobicContact CG-CG 4.22Å; K213-E391 IonicContact NZ-OE1 2.66Å; K213-E391 PolarHBondContact NZ-OE1 2.83Å; K213-E391 IonicContact NZ-OE2 3.75Å; K213-E391 PolarHBondContact NZ-OE2 2.91Å; K213-E391 VanDerWaalsContact NZ-OE2 3.16Å; R217-E391 HydrophobicContact CG-CB 4.31Å; R217-E391 PolarHBondContact NE-O 2.92Å; N388-E391 HydrophobicContact CB-CB 4.37Å; N388-E391 CarbonylContact O-C 3.58Å; N388-E391 WeakPolarHBondContact O-CA 3.27Å; N388-E391 PolarHBondContact O-N 3.22Å; L389-E391 PolarHBondContact O-N 2.75Å
392T94.3Very high89.5Confident30 Ų3044.2 Ų44.218%0.18427%0.265CS..SBendtrans-100.6140.3-178.6-57.80000109.7Y197 T381 A382 N388 L389Y197-T392 WeakPolarHBondContact CD1-O 3.48Å; T381-T392 WeakPolarHBondContact OG1-CG2 3.44Å; A382-T392 HydrophobicContact CB-CG2 3.88Å; A382-T392 VanDerWaalsContact N-CG2 3.35Å; N388-T392 PolarHBondContact O-N 2.85Å; N388-T392 PolarHBondContact O-OG1 2.87Å; L389-T392 PolarHBondContact O-N 2.68Å
393S96.4Very high89.8Confident30 Ų3044.8 Ų44.821%0.2127%0.268CS..BIsolated β-bridgetrans-66.7167.4178.162.20000111V196 T381V196-S393 CarbonylContact O-C 3.54Å; V196-S393 VanDerWaalsContact O-CA 3.23Å; V196-S393 WeakPolarHBondContact O-CA 3.38Å; V196-S393 WeakPolarHBondContact O-CB 3.27Å; T381-S393 PolarHBondContact N-O 2.75Å; T381-S393 PolarHBondContact OG1-O 2.93Å; T381-S393 PolarHBondContact OG1-OG 2.88Å
394V97.1Very high90.6Very high14 Ų1440.2 Ų40.29%0.08525%0.248CC..EExtended strand (participates in β ladder)trans-112.5140.7178.6-56.40000110.2V196 H198 V379 G396 F397V196-V394 HydrophobicContact CB-CG2 3.86Å; V196-V394 HydrophobicContact CG1-CG2 3.83Å; V196-V394 PolarHBondContact O-N 3.3Å; H198-V394 HydrophobicContact CB-CG1 4.05Å; V379-V394 CarbonylContact O-C 3.58Å; V379-V394 VanDerWaalsContact O-CA 3.29Å; V379-V394 WeakPolarHBondContact O-CA 3.42Å; V379-V394 WeakPolarHBondContact O-CB 3.28Å; V394-G396 VanDerWaalsContact C-N 3.31Å; V394-F397 HydrophobicContact CG2-CE1 4.09Å; V394-F397 HydrophobicContact CG2-CE2 4.13Å; V394-F397 HydrophobicContact CG2-CZ 3.56Å
395A96.2Very high91.7Very high59 Ų5940.5 Ų40.549%0.48823%0.233SC..EExtended strand (participates in β ladder)trans-75.1-26.4174.600000111.5V379 T381 P421V379-A395 HydrophobicContact CG1-CB 4.47Å; V379-A395 PolarHBondContact O-N 3.46Å; T381-A395 HydrophobicContact CG2-CB 4.05Å; A395-P421 HydrophobicContact CB-CG 4.28Å
396G97.2Very high92.8Very high11 Ų1144.8 Ų44.811%0.11325%0.247CC..EExtended strand (participates in β ladder)trans164.3-164.5-17800000111.8Y315 V379 V394Y315-G396 VanDerWaalsContact OH-CA 3.23Å; Y315-G396 WeakPolarHBondContact OH-CA 3.45Å; V379-G396 PolarHBondContact N-O 2.91Å; V394-G396 VanDerWaalsContact C-N 3.31Å
397F98.2Very high93.8Very high4 Ų447.2 Ų47.22%0.01826%0.259CS..EExtended strand (participates in β ladder)trans-133.3148.2-174.9-52.2-87.5000110.6S169 I170 T173 V196 Y315 L377 S378 V394 P415 M428S169-F397 WeakPolarHBondContact OG-CE2 3.48Å; I170-F397 HydrophobicContact CD1-CB 3.92Å; I170-F397 HydrophobicContact CD1-CD1 3.38Å; I170-F397 HydrophobicContact CD1-CD2 3.78Å; I170-F397 HydrophobicContact CD1-CE1 3.77Å; I170-F397 HydrophobicContact CD1-CE2 4.17Å; I170-F397 HydrophobicContact CD1-CG 3.39Å; I170-F397 HydrophobicContact CD1-CZ 4.16Å; I170-F397 HydrophobicContact CG1-CD1 4.02Å; I170-F397 HydrophobicContact CG1-CD2 3.79Å; I170-F397 HydrophobicContact CG1-CE1 3.96Å; I170-F397 HydrophobicContact CG1-CE2 3.77Å; I170-F397 HydrophobicContact CG1-CG 3.93Å; I170-F397 HydrophobicContact CG1-CZ 3.85Å; T173-F397 HydrophobicContact CG2-CE1 3.7Å; T173-F397 HydrophobicContact CG2-CE2 4.33Å; T173-F397 HydrophobicContact CG2-CZ 3.38Å; V196-F397 HydrophobicContact CG1-CE2 4.33Å; V196-F397 HydrophobicContact CG1-CZ 3.89Å; Y315-F397 HydrophobicContact CE1-CB 3.79Å; Y315-F397 HydrophobicContact CE1-CD2 4.15Å; Y315-F397 HydrophobicContact CE1-CG 4.49Å; Y315-F397 AromaticContact CE2-CD2 3.97Å; Y315-F397 HydrophobicContact CE2-CD2 3.97Å; Y315-F397 AromaticContact CZ-CD2 3.72Å; Y315-F397 PolarHBondContact OH-N 2.89Å; L377-F397 VanDerWaalsContact O-CA 3.32Å; L377-F397 WeakPolarHBondContact O-CA 3.4Å; S378-F397 WeakPolarHBondContact OG-CD1 3.49Å; S378-F397 VanDerWaalsContact OG-CE1 3.27Å; S378-F397 WeakPolarHBondContact OG-CE1 3.33Å; V394-F397 HydrophobicContact CG2-CE1 4.09Å; V394-F397 HydrophobicContact CG2-CE2 4.13Å; V394-F397 HydrophobicContact CG2-CZ 3.56Å; F397-P415 VanDerWaalsContact O-CD 3.27Å; F397-P415 WeakPolarHBondContact O-CD 3.34Å; F397-M428 HydrophobicContact CD1-SD 3.99Å; F397-M428 HydrophobicContact CE1-CE 4.47Å; F397-M428 HydrophobicContact CE1-SD 4.16Å
398I98.1Very high95.1Very high2 Ų245.2 Ų45.21%0.0125%0.249CC..EExtended strand (participates in β ladder)trans-131.7154.4172.862.3-174.1000108.3L376 L377 V379 V412 L413 L420 L425L376-I398 CarbonylContact C-O 3.48Å; L376-I398 WeakPolarHBondContact CA-O 3.11Å; L377-I398 HydrophobicContact CB-CD1 4.41Å; L377-I398 HydrophobicContact CB-CG1 3.82Å; L377-I398 HydrophobicContact CD1-CD1 4.39Å; L377-I398 HydrophobicContact CD1-CG1 4.41Å; L377-I398 HydrophobicContact CG-CG1 4.45Å; L377-I398 PolarHBondContact N-O 2.95Å; L377-I398 PolarHBondContact O-N 3.32Å; V379-I398 HydrophobicContact CG2-CD1 4.25Å; V379-I398 HydrophobicContact CG2-CG1 4.37Å; V379-I398 HydrophobicContact CG2-CG2 4.19Å; I398-V412 HydrophobicContact CB-CB 4.34Å; I398-V412 HydrophobicContact CD1-CG1 4.06Å; I398-V412 HydrophobicContact CG1-CG1 4.46Å; I398-L413 WeakPolarHBondContact CA-O 3.49Å; I398-L420 HydrophobicContact CD1-CD1 3.98Å; I398-L420 HydrophobicContact CD1-CD2 3.95Å; I398-L420 HydrophobicContact CG2-CD2 4.05Å; I398-L425 HydrophobicContact CD1-CD1 4.23Å; I398-L425 HydrophobicContact CD1-CD2 4.3Å
399V98.1Very high95.9Very high1 Ų141.5 Ų41.51%0.00623%0.23CC..EExtended strand (participates in β ladder)trans-117.3135.6172.858.30000109.7F316 L376 V412 L413 F432F316-V399 HydrophobicContact CE1-CG1 4.49Å; F316-V399 HydrophobicContact CE2-CG1 4.16Å; F316-V399 HydrophobicContact CZ-CB 4.24Å; F316-V399 HydrophobicContact CZ-CG1 3.93Å; L376-V399 HydrophobicContact CD2-CB 3.87Å; V399-V412 CarbonylContact O-C 3.57Å; V399-V412 WeakPolarHBondContact O-CA 3.27Å; V399-L413 HydrophobicContact CG1-CB 3.58Å; V399-L413 HydrophobicContact CG1-CD2 4.11Å; V399-L413 HydrophobicContact CG1-CG 4.41Å; V399-L413 PolarHBondContact N-O 3.3Å; V399-L413 VanDerWaalsContact N-O 3.11Å; V399-L413 PolarHBondContact O-N 2.94Å; V399-F432 HydrophobicContact CG1-CD1 4.13Å; V399-F432 HydrophobicContact CG2-CB 4.27Å; V399-F432 HydrophobicContact CG2-CD1 4.41Å; V399-F432 WeakPolarHBondContact CG2-O 3.35Å
400V97.9Very high96.3Very high0 Ų041.6 Ų41.60%023%0.23CC..EExtended strand (participates in β ladder)trans-78.3120175.3179.30000109.1M372 H374 H375 L377 V403 F410M372-V400 HydrophobicContact CE-CG2 4.23Å; M372-V400 WeakPolarHBondContact O-CB 3.43Å; H374-V400 VanDerWaalsContact CA-O 3.27Å; H374-V400 WeakPolarHBondContact CA-O 3.41Å; H374-V400 PolarHBondContact N-O 3.4Å; H375-V400 PolarHBondContact O-N 3.37Å; H375-V400 VanDerWaalsContact O-N 3.13Å; L377-V400 HydrophobicContact CD1-CG2 3.7Å; L377-V400 HydrophobicContact CG-CG2 4.11Å; V400-V403 HydrophobicContact CG1-CG2 3.68Å; V400-F410 HydrophobicContact CG1-CB 4.12Å; V400-F410 HydrophobicContact CG2-CD2 4.21Å
401T97.2Very high96.8Very high49 Ų4942.4 Ų42.430%0.30124%0.235SC..EExtended strand (participates in β ladder)trans-98.8-30.2-17955.80000112.6T411 L413T401-T411 PolarHBondContact N-O 2.86Å; T401-T411 WeakPolarHBondContact OG1-CB 3.44Å; T401-T411 WeakPolarHBondContact OG1-CG2 3.45Å; T401-T411 PolarHBondContact OG1-O 3.36Å; T401-L413 HydrophobicContact CG2-CB 4.15Å
402S97.3Very high97.2Very high51 Ų5140.7 Ų40.736%0.35723%0.227SC..EExtended strand (participates in β ladder)trans-154.4159.9172.972.50000111.8F410 T411S402-F410 CarbonylContact O-C 3.53Å; S402-F410 VanDerWaalsContact O-CA 3.3Å; S402-F410 WeakPolarHBondContact O-CA 3.31Å; S402-F410 WeakPolarHBondContact O-CB 3.32Å; S402-T411 PolarHBondContact O-N 2.85Å; S402-T411 VanDerWaalsContact OG-CB 3.28Å; S402-T411 WeakPolarHBondContact OG-CB 3.48Å; S402-T411 PolarHBondContact OG-OG1 3.18Å
403V97.9Very high97.4Very high22 Ų2239.8 Ų39.813%0.13322%0.221CC..EExtended strand (participates in β ladder)trans-132124.8178.5-179.70000109.2F332 V373 V400 L405 F410F332-V403 HydrophobicContact CE1-CG1 4.26Å; F332-V403 HydrophobicContact CZ-CG1 3.82Å; V373-V403 HydrophobicContact CG2-CB 4.29Å; V373-V403 HydrophobicContact CG2-CG2 3.77Å; V400-V403 HydrophobicContact CG1-CG2 3.68Å; V403-L405 HydrophobicContact CG1-CD2 3.98Å; V403-F410 HydrophobicContact CG2-CB 3.97Å
404D97.7Very high97.4Very high59 Ų5938.7 Ų38.732%0.31621%0.213SC..EExtended strand (participates in β ladder)trans-110.5107.4175.6-173.8-26.7000109.4E406 H407 Q408 V409D404-E406 WeakPolarHBondContact OD1-CB 3.47Å; D404-E406 PolarHBondContact OD1-N 3.07Å; D404-H407 VanDerWaalsContact CG-ND1 3.34Å; D404-H407 IonicContact OD1-CG 2.78Å; D404-H407 PolarHBondContact OD1-N 3.24Å; D404-H407 IonicContact OD1-ND1 2.76Å; D404-H407 PolarHBondContact OD1-ND1 2.85Å; D404-H407 IonicContact OD2-CE1 2.64Å; D404-H407 IonicContact OD2-CG 3.72Å; D404-H407 IonicContact OD2-ND1 2.88Å; D404-H407 PolarHBondContact OD2-ND1 2.95Å; D404-Q408 WeakPolarHBondContact O-CA 3.21Å; D404-Q408 PolarHBondContact O-N 3.18Å; D404-V409 HydrophobicContact CB-CG2 3.87Å; D404-V409 PolarHBondContact N-O 3.25Å; D404-V409 PolarHBondContact O-N 2.84Å; D404-V409 VanDerWaalsContact O-O 3.13Å
405L96.9Very high97.4Very high75 Ų7540.5 Ų40.539%0.39323%0.225SC..THydrogen-bonded Turntrans-78.2-23.6-178.8-61.7178.4000112.8F332 R370 V403 Q408F332-L405 HydrophobicContact CE2-CD2 4.17Å; F332-L405 HydrophobicContact CZ-CD2 4.19Å; R370-L405 HydrophobicContact CG-CD1 4.19Å; V403-L405 HydrophobicContact CG1-CD2 3.98Å; L405-Q408 PolarHBondContact O-NE2 2.92Å
406E96.8Very high97.3Very high171 Ų17139.8 Ų39.880%0.79922%0.219SC*.THydrogen-bonded Turntrans-73.6-46.1179.6-175.5174.7-175.700109.7D404 Q408D404-E406 WeakPolarHBondContact OD1-CB 3.47Å; D404-E406 PolarHBondContact OD1-N 3.07Å; E406-Q408 VanDerWaalsContact C-N 3.35Å
407H97.1Very high97.2Very high124 Ų12443.1 Ų43.157%0.57424%0.239SC*.THydrogen-bonded Turntrans-87.3-3.1178.1-60.595.4000113.7D404 V409D404-H407 VanDerWaalsContact CG-ND1 3.34Å; D404-H407 IonicContact OD1-CG 2.78Å; D404-H407 PolarHBondContact OD1-N 3.24Å; D404-H407 IonicContact OD1-ND1 2.76Å; D404-H407 PolarHBondContact OD1-ND1 2.85Å; D404-H407 IonicContact OD2-CE1 2.64Å; D404-H407 IonicContact OD2-CG 3.72Å; D404-H407 IonicContact OD2-ND1 2.88Å; D404-H407 PolarHBondContact OD2-ND1 2.95Å; H407-V409 VanDerWaalsContact C-N 3.31Å; H407-V409 HydrophobicContact CB-CG2 3.99Å; H407-V409 PolarHBondContact O-N 2.82Å
408Q97.6Very high96.9Very high103 Ų10352.2 Ų52.248%0.48127%0.273SS..THydrogen-bonded Turntrans5445.2-178.8-61.8-79.2-62.400112.6F332 D404 L405 E406F332-Q408 WeakPolarHBondContact CD1-O 3.27Å; F332-Q408 HydrophobicContact CD2-CB 3.86Å; F332-Q408 HydrophobicContact CD2-CG 4.38Å; F332-Q408 HydrophobicContact CE2-CB 4.19Å; F332-Q408 HydrophobicContact CG-CB 4.25Å; F332-Q408 WeakPolarHBondContact CG-O 3.39Å; F332-Q408 PolarHBondContact N-O 2.92Å; D404-Q408 WeakPolarHBondContact O-CA 3.21Å; D404-Q408 PolarHBondContact O-N 3.18Å; L405-Q408 PolarHBondContact O-NE2 2.92Å; E406-Q408 VanDerWaalsContact C-N 3.35Å
409V97.8Very high96.7Very high19 Ų1957.5 Ų57.512%0.11531%0.307CS..EExtended strand (participates in β ladder)trans-131153.3178.9-64.20000111.1N329 V330 K331 F332 D404 H407N329-V409 HydrophobicContact CB-CB 4.37Å; V330-V409 CarbonylContact O-C 3.53Å; V330-V409 VanDerWaalsContact O-CA 3.26Å; V330-V409 WeakPolarHBondContact O-CA 3.46Å; K331-V409 HydrophobicContact CB-CG1 4.42Å; K331-V409 HydrophobicContact CG-CG1 3.93Å; F332-V409 WeakPolarHBondContact CE1-O 3.48Å; D404-V409 HydrophobicContact CB-CG2 3.87Å; D404-V409 PolarHBondContact N-O 3.25Å; D404-V409 PolarHBondContact O-N 2.84Å; D404-V409 VanDerWaalsContact O-O 3.13Å; H407-V409 VanDerWaalsContact C-N 3.31Å; H407-V409 HydrophobicContact CB-CG2 3.99Å; H407-V409 PolarHBondContact O-N 2.82Å
410F97.3Very high96.5Very high1 Ų158.7 Ų58.70%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-122.5144.1164.157.9-101.7000110.1N329 V330 F332 V335 I337 V400 S402 V403 V412 L425N329-F410 WeakPolarHBondContact CA-O 3.37Å; V330-F410 HydrophobicContact CB-CD2 4.1Å; V330-F410 HydrophobicContact CB-CE1 4.45Å; V330-F410 HydrophobicContact CB-CE2 3.58Å; V330-F410 HydrophobicContact CB-CZ 3.77Å; V330-F410 HydrophobicContact CG1-CE1 4.29Å; V330-F410 HydrophobicContact CG1-CE2 3.94Å; V330-F410 HydrophobicContact CG1-CZ 3.62Å; V330-F410 HydrophobicContact CG2-CE2 4.08Å; V330-F410 PolarHBondContact N-O 2.9Å; V330-F410 PolarHBondContact O-N 2.83Å; F332-F410 AromaticContact CD1-CD1 3.63Å; F332-F410 HydrophobicContact CD1-CD1 3.63Å; F332-F410 HydrophobicContact CD1-CE1 4.14Å; F332-F410 HydrophobicContact CE1-CB 4.21Å; F332-F410 AromaticContact CE1-CD1 3.65Å; F332-F410 HydrophobicContact CE1-CD1 3.65Å; F332-F410 HydrophobicContact CE1-CG 4.4Å; V335-F410 HydrophobicContact CG2-CE1 3.85Å; V335-F410 HydrophobicContact CG2-CZ 3.84Å; I337-F410 HydrophobicContact CD1-CE1 4.12Å; I337-F410 HydrophobicContact CD1-CZ 4.45Å; V400-F410 HydrophobicContact CG1-CB 4.12Å; V400-F410 HydrophobicContact CG2-CD2 4.21Å; S402-F410 CarbonylContact O-C 3.53Å; S402-F410 VanDerWaalsContact O-CA 3.3Å; S402-F410 WeakPolarHBondContact O-CA 3.31Å; S402-F410 WeakPolarHBondContact O-CB 3.32Å; V403-F410 HydrophobicContact CG2-CB 3.97Å; F410-V412 HydrophobicContact CD2-CG1 3.36Å; F410-V412 HydrophobicContact CE2-CG1 3.34Å; F410-L425 HydrophobicContact CZ-CD1 4.25Å
411T97.4Very high96.2Very high30 Ų3062.9 Ų62.918%0.18434%0.341CS..EExtended strand (participates in β ladder)trans-86133.9173-47.60000108.4N329 T401 S402N329-T411 PolarHBondContact OD1-OG1 2.84Å; T401-T411 PolarHBondContact N-O 2.86Å; T401-T411 WeakPolarHBondContact OG1-CB 3.44Å; T401-T411 WeakPolarHBondContact OG1-CG2 3.45Å; T401-T411 PolarHBondContact OG1-O 3.36Å; S402-T411 PolarHBondContact O-N 2.85Å; S402-T411 VanDerWaalsContact OG-CB 3.28Å; S402-T411 WeakPolarHBondContact OG-CB 3.48Å; S402-T411 PolarHBondContact OG-OG1 3.18Å
412V97.4Very high96Very high0 Ų063.3 Ų63.30%034%0.339CS..EExtended strand (participates in β ladder)trans-119.7150.4174.2-59.20000111.9A327 F328 V330 I398 V399 F410A327-V412 VanDerWaalsContact CA-O 3.27Å; A327-V412 WeakPolarHBondContact CA-O 3.38Å; F328-V412 HydrophobicContact CD2-CG2 4.17Å; F328-V412 HydrophobicContact CE1-CG2 4.39Å; F328-V412 HydrophobicContact CE2-CG2 3.87Å; F328-V412 HydrophobicContact CZ-CG2 4Å; F328-V412 PolarHBondContact N-O 3.16Å; F328-V412 PolarHBondContact O-N 2.91Å; V330-V412 HydrophobicContact CG2-CG1 4.39Å; V330-V412 HydrophobicContact CG2-CG2 3.97Å; I398-V412 HydrophobicContact CB-CB 4.34Å; I398-V412 HydrophobicContact CD1-CG1 4.06Å; I398-V412 HydrophobicContact CG1-CG1 4.46Å; V399-V412 CarbonylContact O-C 3.57Å; V399-V412 WeakPolarHBondContact O-CA 3.27Å; F410-V412 HydrophobicContact CD2-CG1 3.36Å; F410-V412 HydrophobicContact CE2-CG1 3.34Å
413L97.8Very high95.8Very high11 Ų1164.3 Ų64.36%0.05834%0.34CS..EExtended strand (participates in β ladder)trans-93.1128.9156-172.874000108.1F316 Y317 P325 H326 I398 V399 T401F316-L413 HydrophobicContact CB-CD2 4.25Å; F316-L413 HydrophobicContact CD1-CD2 4.09Å; F316-L413 HydrophobicContact CD1-CG 4.18Å; F316-L413 HydrophobicContact CD2-CD2 4.44Å; F316-L413 HydrophobicContact CG-CD2 4.01Å; Y317-L413 HydrophobicContact CE2-CD2 4.39Å; P325-L413 HydrophobicContact CB-CD1 3.74Å; P325-L413 HydrophobicContact CB-CD2 4.49Å; P325-L413 HydrophobicContact CB-CG 3.98Å; P325-L413 HydrophobicContact CG-CD1 3.86Å; P325-L413 HydrophobicContact CG-CD2 4.43Å; P325-L413 HydrophobicContact CG-CG 4.32Å; H326-L413 CarbonylContact O-C 3.55Å; H326-L413 WeakPolarHBondContact O-CA 3.32Å; I398-L413 WeakPolarHBondContact CA-O 3.49Å; V399-L413 HydrophobicContact CG1-CB 3.58Å; V399-L413 HydrophobicContact CG1-CD2 4.11Å; V399-L413 HydrophobicContact CG1-CG 4.41Å; V399-L413 PolarHBondContact N-O 3.3Å; V399-L413 VanDerWaalsContact N-O 3.11Å; V399-L413 PolarHBondContact O-N 2.94Å; T401-L413 HydrophobicContact CG2-CB 4.15Å
414S97.3Very high95.7Very high6 Ų663.4 Ų63.44%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-134.4140.8-177.1-172.80000110.9P325 H326 A416P325-S414 CarbonylContact C-O 3.56Å; P325-S414 WeakPolarHBondContact CA-O 3.26Å; H326-S414 PolarHBondContact N-O 3.39Å; H326-S414 PolarHBondContact O-N 3.14Å; S414-A416 WeakPolarHBondContact CB-O 3.34Å; S414-A416 PolarHBondContact O-N 3.05Å; S414-A416 PolarHBondContact OG-N 3.03Å; S414-A416 PolarHBondContact OG-O 2.98Å; S414-A416 VanDerWaalsContact OG-O 3.12Å
415P95.7Very high95.7Very high53 Ų5360.6 Ų60.634%0.34432%0.319SS..SBendtrans-68.3-15.7173.930.3-37.1000112.9Y315 F397Y315-P415 HydrophobicContact CE1-CG 3.98Å; F397-P415 VanDerWaalsContact O-CD 3.27Å; F397-P415 WeakPolarHBondContact O-CD 3.34Å
416A94.7Very high95.7Very high43 Ų4357.1 Ų57.136%0.35530%0.301SS..SBendtrans-121152.1-179.600000110.9S414S414-A416 WeakPolarHBondContact CB-O 3.34Å; S414-A416 PolarHBondContact O-N 3.05Å; S414-A416 PolarHBondContact OG-N 3.03Å; S414-A416 PolarHBondContact OG-O 2.98Å; S414-A416 VanDerWaalsContact OG-O 3.12Å
417P94.6Very high95.7Very high81 Ų8149.7 Ų49.753%0.52627%0.267SS..PPolyproline II helixtrans-69.1163.8176.130-35.3000111.3H326H326-P417 VanDerWaalsContact CD2-N 3.29Å
418R93Very high95.8Very high196 Ų19643.8 Ų43.874%0.7424%0.239SC*.SBendtrans-60.3153.2173.575.7-178.6-155.6-161.43.7111.8F328F328-R418 HydrophobicContact CD1-CB 4.15Å; F328-R418 HydrophobicContact CD2-CB 3.82Å; F328-R418 HydrophobicContact CE1-CB 4.18Å; F328-R418 HydrophobicContact CE2-CB 3.86Å; F328-R418 HydrophobicContact CG-CB 3.96Å; F328-R418 HydrophobicContact CZ-CB 4.04Å
419P93.1Very high95.7Very high112 Ų11242.7 Ų42.773%0.72724%0.236SC*.SBendcis-77.4166.8-4.433.7-35.6000112.3
420L93.4Very high95.6Very high27 Ų2742.5 Ų42.514%0.14124%0.235CC..PPolyproline II helixtrans-59.2141.2168.1-67.4177.9000109.7F328 V330 V335 I398 K422F328-L420 HydrophobicContact CE2-CD2 4.26Å; F328-L420 HydrophobicContact CE2-CG 4.34Å; F328-L420 HydrophobicContact CZ-CD2 3.97Å; F328-L420 HydrophobicContact CZ-CG 4.48Å; V330-L420 HydrophobicContact CG1-CD1 4.06Å; V330-L420 HydrophobicContact CG2-CD1 4Å; V330-L420 HydrophobicContact CG2-CG 4.32Å; V335-L420 HydrophobicContact CG1-CD1 4.04Å; I398-L420 HydrophobicContact CD1-CD1 3.98Å; I398-L420 HydrophobicContact CD1-CD2 3.95Å; I398-L420 HydrophobicContact CG2-CD2 4.05Å; L420-K422 PolarHBondContact O-N 3.16Å
421P91.6Very high95.5Very high87 Ų8749.3 Ų49.357%0.56526%0.261SS*.SBendtrans-69.1-24-175.426.8-34.6000113V379 A395V379-P421 HydrophobicContact CG1-CG 4.01Å; A395-P421 HydrophobicContact CB-CG 4.28Å
422K93.4Very high95.4Very high59 Ų5948.2 Ų48.226%0.25725%0.253SS..  trans-146.2159.2-178.5-60.4-73.3-178165.10109.7V379 S380 E383 L420V379-K422 HydrophobicContact CG1-CB 3.93Å; S380-K422 WeakPolarHBondContact O-CB 3.41Å; S380-K422 VanDerWaalsContact O-CG 3.25Å; S380-K422 WeakPolarHBondContact O-CG 3.3Å; E383-K422 IonicContact OE1-NZ 2.76Å; E383-K422 PolarHBondContact OE1-NZ 2.9Å; L420-K422 PolarHBondContact O-N 3.16Å
423N93.1Very high95.2Very high71 Ų7153.4 Ų53.438%0.3828%0.279SS..SBendtrans-103.7-10.3-173.862.8-23.5000114.3D334 V335 K336D334-N423 WeakPolarHBondContact O-CB 3.48Å; V335-N423 CarbonylContact C-O 3.55Å; V335-N423 VanDerWaalsContact CA-O 3.28Å; V335-N423 WeakPolarHBondContact CA-O 3.41Å; K336-N423 PolarHBondContact N-O 2.78Å
424F96.4Very high94.4Very high4 Ų455.2 Ų55.22%0.01829%0.288CS..EExtended strand (participates in β ladder)trans-89.6121.3174.8-70.9-71.6000111.3K336 Y338 S380 A382 E386 L389K336-F424 HydrophobicContact CB-CD1 4.09Å; K336-F424 HydrophobicContact CB-CE1 4.25Å; K336-F424 HydrophobicContact CD-CD1 4.16Å; K336-F424 HydrophobicContact CD-CE1 3.51Å; K336-F424 HydrophobicContact CD-CZ 4.18Å; Y338-F424 AromaticContact CE2-CD1 3.88Å; Y338-F424 HydrophobicContact CE2-CD1 3.88Å; Y338-F424 HydrophobicContact CE2-CE1 4.19Å; S380-F424 PolarHBondContact N-O 2.81Å; A382-F424 HydrophobicContact CB-CD2 4.25Å; E386-F424 HydrophobicContact CG-CD1 4.48Å; E386-F424 HydrophobicContact CG-CE1 3.59Å; E386-F424 HydrophobicContact CG-CZ 4.16Å; L389-F424 HydrophobicContact CD1-CB 3.79Å; L389-F424 HydrophobicContact CD1-CG 4.15Å
425L97.3Very high93.1Very high0 Ų061.4 Ų61.40%032%0.32CS..EExtended strand (participates in β ladder)trans-118.6139.6-178.8-55.4-177.1000110.9V335 K336 I337 Y338 L377 S378 V379 I398 F410V335-L425 HydrophobicContact CB-CD1 3.93Å; V335-L425 HydrophobicContact CB-CG 4.29Å; V335-L425 HydrophobicContact CG1-CD1 3.96Å; V335-L425 HydrophobicContact CG1-CG 4.41Å; V335-L425 HydrophobicContact CG2-CD1 4.1Å; K336-L425 PolarHBondContact O-N 2.97Å; I337-L425 CarbonylContact C-O 3.5Å; I337-L425 WeakPolarHBondContact CA-O 3.28Å; I337-L425 HydrophobicContact CD1-CD1 4.42Å; I337-L425 HydrophobicContact CG1-CB 4.25Å; I337-L425 HydrophobicContact CG1-CD1 4.33Å; I337-L425 HydrophobicContact CG2-CB 4.39Å; Y338-L425 PolarHBondContact N-O 2.79Å; L377-L425 HydrophobicContact CB-CB 4.47Å; L377-L425 HydrophobicContact CD1-CD1 3.79Å; S378-L425 CarbonylContact O-C 2.99Å; S378-L425 WeakPolarHBondContact O-CA 3.42Å; V379-L425 HydrophobicContact CB-CD2 4.2Å; V379-L425 HydrophobicContact CG1-CD2 4.22Å; V379-L425 HydrophobicContact CG2-CD2 3.82Å; I398-L425 HydrophobicContact CD1-CD1 4.23Å; I398-L425 HydrophobicContact CD1-CD2 4.3Å; F410-L425 HydrophobicContact CZ-CD1 4.25Å
426L97.4Very high90.9Very high1 Ų170.9 Ų70.91%0.00536%0.356CS..EExtended strand (participates in β ladder)trans-112.9119173.4-66.9171.6000110H198 Y338 V340 L363 L377 S378 L389H198-L426 HydrophobicContact CB-CB 4.47Å; H198-L426 HydrophobicContact CB-CD1 3.58Å; Y338-L426 CarbonylContact O-C 3.46Å; Y338-L426 VanDerWaalsContact O-CA 3.32Å; Y338-L426 WeakPolarHBondContact O-CA 3.32Å; V340-L426 HydrophobicContact CG2-CD2 3.93Å; L363-L426 HydrophobicContact CD2-CD2 4.44Å; L377-L426 CarbonylContact C-O 3.59Å; L377-L426 WeakPolarHBondContact CA-O 3.27Å; S378-L426 PolarHBondContact N-O 3.13Å; S378-L426 PolarHBondContact O-N 2.91Å; L389-L426 HydrophobicContact CD2-CD2 3.55Å; L389-L426 HydrophobicContact CD2-CG 4.18Å; L389-L426 HydrophobicContact CG-CD1 4.32Å; L389-L426 HydrophobicContact CG-CD2 3.94Å; L389-L426 HydrophobicContact CG-CG 4.26Å
427I97.4Very high90.7Very high16 Ų1672.3 Ų72.38%0.08236%0.356CS..EExtended strand (participates in β ladder)trans-75.5133178.4-168.5164.8000110.9H198 I337 Y338 K339 V366 M372 H375 L377H198-I427 PolarHBondContact CE1-O 2.9Å; I337-I427 HydrophobicContact CG2-CB 4.34Å; Y338-I427 PolarHBondContact O-N 2.98Å; K339-I427 HydrophobicContact CB-CG2 3.73Å; K339-I427 HydrophobicContact CD-CG2 4.29Å; K339-I427 HydrophobicContact CG-CG2 4.18Å; V366-I427 HydrophobicContact CG2-CG2 3.98Å; M372-I427 HydrophobicContact CG-CD1 4.11Å; H375-I427 HydrophobicContact CB-CD1 4.03Å; H375-I427 HydrophobicContact CB-CG1 4Å; L377-I427 HydrophobicContact CD2-CB 3.73Å; L377-I427 HydrophobicContact CD2-CD1 4.25Å; L377-I427 HydrophobicContact CD2-CG1 3.69Å
428M97.4Very high90.5Very high0 Ų071.8 Ų71.80%035%0.347CS..EExtended strand (participates in β ladder)trans-96.1151.6175.9-53.8-178.281.900110I170 P171 G172 T173 H375 L376 F397 I430I170-M428 HydrophobicContact CD1-CE 4.18Å; I170-M428 HydrophobicContact CD1-SD 3.88Å; P171-M428 VanDerWaalsContact O-CE 3.3Å; P171-M428 WeakPolarHBondContact O-CE 3.46Å; G172-M428 WeakPolarHBondContact O-CE 3.31Å; T173-M428 HydrophobicContact CG2-CE 4.15Å; H375-M428 PolarHBondContact ND1-O 2.98Å; L376-M428 HydrophobicContact CB-CB 4.24Å; L376-M428 HydrophobicContact CB-CG 4.25Å; L376-M428 HydrophobicContact CB-SD 3.73Å; L376-M428 WeakPolarHBondContact O-CB 3.44Å; L376-M428 WeakPolarHBondContact O-CG 3.48Å; L376-M428 PolarHBondContact O-N 3.12Å; F397-M428 HydrophobicContact CD1-SD 3.99Å; F397-M428 HydrophobicContact CE1-CE 4.47Å; F397-M428 HydrophobicContact CE1-SD 4.16Å; M428-I430 HydrophobicContact CB-CB 4.3Å; M428-I430 HydrophobicContact CE-CD1 4.09Å; M428-I430 PolarHBondContact O-N 2.76Å
429D95.4Very high90.4Very high79 Ų7964.9 Ų64.942%0.42233%0.326SS..EExtended strand (participates in β ladder)trans-75.11.9169.9-69.8-25.5000112.3G200 K339G200-D429 PolarHBondContact O-N 3.37Å; K339-D429 IonicContact NZ-OD1 2.71Å; K339-D429 PolarHBondContact NZ-OD1 2.99Å; K339-D429 IonicContact NZ-OD2 3.16Å
430I96.4Very high90.2Very high16 Ų1662.2 Ų62.28%0.08230%0.302CS..EExtended strand (participates in β ladder)trans-94.8134.1-178.5-57.3173.3000109P171 T202 I312 L376 M428P171-I430 HydrophobicContact CB-CD1 4.1Å; P171-I430 WeakPolarHBondContact O-CD1 3.23Å; T202-I430 HydrophobicContact CG2-CD1 3.74Å; T202-I430 HydrophobicContact CG2-CG1 3.98Å; I312-I430 HydrophobicContact CD1-CG2 3.85Å; L376-I430 HydrophobicContact CD1-CB 4.29Å; L376-I430 HydrophobicContact CD1-CG2 3.82Å; L376-I430 PolarHBondContact N-O 3.12Å; L376-I430 VanDerWaalsContact N-O 3.12Å; M428-I430 HydrophobicContact CB-CB 4.3Å; M428-I430 HydrophobicContact CE-CD1 4.09Å; M428-I430 PolarHBondContact O-N 2.76Å
431R95.9Very high90.1Very high144 Ų14464.4 Ų64.454%0.54331%0.312SS..EExtended strand (participates in β ladder)trans-114.8147.1178.8-64.8-178.3177.4-173.1-5.2111.2H374 H375H374-R431 HydrophobicContact CB-CB 4.31Å; H374-R431 CarbonylContact O-C 3.55Å; H374-R431 WeakPolarHBondContact O-CA 3.41Å; H374-R431 WeakPolarHBondContact O-CB 3.47Å; H375-R431 PolarHBondContact CD2-NE 3.17Å; H375-R431 VanDerWaalsContact NE2-CZ 3.34Å; H375-R431 PolarHBondContact NE2-NE 3.23Å; H375-R431 PolarHBondContact NE2-NH2 2.82Å
432F95.6Very high89.9Confident6 Ų662.9 Ų62.93%0.02630%0.295CS..  trans-136.6124.3174.3177-104.5000109.5I312 R313 F316 H374 L376 V399 D434I312-F432 HydrophobicContact CB-CD2 3.94Å; I312-F432 HydrophobicContact CB-CE2 4.34Å; I312-F432 HydrophobicContact CB-CG 4.42Å; I312-F432 HydrophobicContact CG2-CB 3.83Å; I312-F432 HydrophobicContact CG2-CD1 4.07Å; I312-F432 HydrophobicContact CG2-CD2 3.5Å; I312-F432 HydrophobicContact CG2-CE2 4.03Å; I312-F432 HydrophobicContact CG2-CG 3.52Å; R313-F432 HydrophobicContact CB-CE2 4.25Å; R313-F432 HydrophobicContact CB-CZ 4.36Å; F316-F432 HydrophobicContact CD2-CE1 4.35Å; F316-F432 HydrophobicContact CE2-CD1 4.48Å; H374-F432 WeakPolarHBondContact CB-O 3.35Å; H374-F432 PolarHBondContact O-N 3.28Å; L376-F432 HydrophobicContact CD1-CB 4.46Å; L376-F432 HydrophobicContact CG-CB 4.43Å; V399-F432 HydrophobicContact CG1-CD1 4.13Å; V399-F432 HydrophobicContact CG2-CB 4.27Å; V399-F432 HydrophobicContact CG2-CD1 4.41Å; V399-F432 WeakPolarHBondContact CG2-O 3.35Å; F432-D434 HydrophobicContact CE1-CB 3.98Å
433M92.5Very high89.7Confident109 Ų10963.1 Ų63.154%0.53730%0.298SS..  trans-104.2115.5172.6-67.5-175.6-6100107.8H374 L435H374-M433 HydrophobicContact CB-CG 4.1Å; M433-L435 VanDerWaalsContact C-N 3.26Å; M433-L435 HydrophobicContact CB-CG 4.37Å; M433-L435 PolarHBondContact O-N 3.31Å
434D81.6Confident89.4Confident49 Ų4962.5 Ų62.526%0.26229%0.292SS..  trans-73.983.9172.8-171.940.9000109Y317 F432 K436Y317-D434 WeakPolarHBondContact CE2-OD1 3.37Å; Y317-D434 PolarHBondContact OH-OD1 3.14Å; Y317-D434 PolarHBondContact OH-OD2 3.48Å; F432-D434 HydrophobicContact CE1-CB 3.98Å; D434-K436 PolarHBondContact O-N 3.41Å
435L68.9Low88.9Confident136 Ų13667.4 Ų67.471%0.71231%0.314SS*.  trans-80.9103.8172.2-62.9173.8000107.1M433M433-L435 VanDerWaalsContact C-N 3.26Å; M433-L435 HydrophobicContact CB-CG 4.37Å; M433-L435 PolarHBondContact O-N 3.31Å
436K50.4Low88.1Confident253 Ų25373.5 Ų73.5100%1.134%0.343SS*.  trans-67.60170.2-78-170.9176.5-1770112.1D434D434-K436 PolarHBondContact O-N 3.41Å

Retrieved 436 of 436 residues in 81.6 ms (Link to these results)