A0A061IA56_CRIGR Loading...

SLX1 structure-specific endonuclease subunit homolog B (S. cerevisiae)

Catalytic subunit of the SLX1-SLX4 structure-specific endonuclease that resolves DNA secondary structures generated during DNA repair and recombination. Has endonuclease activity towards branched DNA substrates, introducing single-strand cuts in duplex DNA close to junctions with ss-DNA. Has a preference for 5'-flap structures, and promotes symmetrical cleavage of static and migrating Holliday junctions (HJs). Resolves HJs by generating two pairs of ligatable, nicked duplex products.

AlphaFold DB , UniProt , Accession A0A061IA56, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Slx1a, Length 269 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
1M27.7Very low51.7Low230 Ų230110.8 Ų110.8100%1.13359%0.588SS**  088.70-73.7163.6175.700107.7H3M1-H3 PolarHBondContact O-N 3.02Å
2G27.9Very low55.4Low76 Ų76101.6 Ų101.678%0.78454%0.539SS*.  trans-78113.1177.200000108.2T4G2-T4 PolarHBondContact O-N 3.28Å
3H30.7Very low58.7Low180 Ų18093.8 Ų93.883%0.83350%0.498SS*.  trans-69.3113164.3-68.362.4000105.4M1 A5M1-H3 PolarHBondContact O-N 3.02Å; H3-A5 PolarHBondContact O-N 3.13Å
4T30.1Very low61.6Low135 Ų13587.1 Ų87.183%0.82846%0.462SS*.  trans-67.390.4171.743.10000107.4G2 R6G2-T4 PolarHBondContact O-N 3.28Å; T4-R6 PolarHBondContact O-N 2.92Å; T4-R6 VanDerWaalsContact O-N 3.16Å
5A36Very low64Low66 Ų6681.3 Ų81.355%0.54543%0.431SS..PPolyproline II helixtrans-58.2116.7170.900000108H3H3-A5 PolarHBondContact O-N 3.13Å
6R40.8Very low66.2Low139 Ų13976.2 Ų76.253%0.52540%0.404SS..PPolyproline II helixtrans-57139.7164.5-75.8177.4167.1-163-8.4107.6T4 E8 D249T4-R6 PolarHBondContact O-N 2.92Å; T4-R6 VanDerWaalsContact O-N 3.16Å; R6-E8 PolarHBondContact O-N 3.13Å; R6-E8 VanDerWaalsContact O-N 3.15Å; R6-D249 IonicContact CZ-OD1 3.74Å; R6-D249 IonicContact NE-OD1 3.66Å; R6-D249 IonicContact NH1-OD1 3.98Å
7P50Low68Low66 Ų6673.5 Ų73.543%0.42939%0.388SS..PPolyproline II helixtrans-59.2123.9178.722-29.7000109R9 P156P7-R9 PolarHBondContact O-N 2.63Å; P7-P156 HydrophobicContact CB-CB 4.2Å
8E62.1Low69.7Low149 Ų14969.4 Ų69.470%0.69637%0.366SS*.PPolyproline II helixtrans-49128.1174.8-72-178.817300109.8R6 F10R6-E8 PolarHBondContact O-N 3.13Å; R6-E8 VanDerWaalsContact O-N 3.15Å; E8-F10 PolarHBondContact O-N 3.33Å; E8-F10 VanDerWaalsContact O-N 3.15Å
9R78.6Confident71Confident135 Ų13568.8 Ų68.851%0.50936%0.361SS..PPolyproline II helixtrans-62.9117.5177.5-64.218085.3-167.6-4.2108.4P7 F11 E253P7-R9 PolarHBondContact O-N 2.63Å; R9-F11 HydrophobicContact CB-CE2 3.88Å; R9-F11 HydrophobicContact CB-CZ 4.06Å; R9-E253 IonicContact CZ-OE2 3.22Å; R9-E253 IonicContact NH1-OE2 2.7Å; R9-E253 PolarHBondContact NH1-OE2 3.13Å; R9-E253 VanDerWaalsContact NH1-OE2 3.15Å; R9-E253 IonicContact NH2-OE2 3.65Å; R9-E253 PolarHBondContact NH2-OE2 3.2Å
10F90.3Very high72.2Confident27 Ų2767 Ų6712%0.11835%0.352CS..PPolyproline II helixtrans-90.4121.6-179.6-176.9-85.7000110.6E8 V33 P35 I65 H67 P153E8-F10 PolarHBondContact O-N 3.33Å; E8-F10 VanDerWaalsContact O-N 3.15Å; F10-V33 VanDerWaalsContact O-CA 3.25Å; F10-V33 WeakPolarHBondContact O-CA 3.5Å; F10-V33 WeakPolarHBondContact O-CB 3.39Å; F10-V33 WeakPolarHBondContact O-CG1 3.23Å; F10-P35 HydrophobicContact CD1-CG 4.25Å; F10-P35 HydrophobicContact CE1-CG 3.43Å; F10-P35 VanDerWaalsContact CE1-CG 3.43Å; F10-P35 HydrophobicContact CZ-CG 3.78Å; F10-I65 HydrophobicContact CE1-CD1 3.93Å; F10-I65 HydrophobicContact CZ-CD1 3.8Å; F10-H67 HydrophobicContact CE2-CB 3.63Å; F10-H67 AromaticContact CE2-CG 3.86Å; F10-H67 HydrophobicContact CZ-CB 3.67Å; F10-P153 HydrophobicContact CE2-CB 3.89Å; F10-P153 HydrophobicContact CZ-CB 3.99Å
11F94Very high73.2Confident16 Ų1669.5 Ų69.57%0.0737%0.372CS..  trans-122.7120.5170.9-59.4-63.3000109.3R9 F31 V33 H67 F69 A72 A75R9-F11 HydrophobicContact CB-CE2 3.88Å; R9-F11 HydrophobicContact CB-CZ 4.06Å; F11-F31 HydrophobicContact CB-CE2 4.19Å; F11-F31 HydrophobicContact CD1-CE2 4.07Å; F11-F31 AromaticContact CD1-CZ 3.92Å; F11-F31 HydrophobicContact CD1-CZ 3.92Å; F11-V33 HydrophobicContact CD1-CG1 3.89Å; F11-V33 HydrophobicContact CE1-CG1 4.05Å; F11-H67 WeakPolarHBondContact O-CA 3.33Å; F11-F69 HydrophobicContact CB-CB 3.98Å; F11-F69 WeakPolarHBondContact CD2-O 3.42Å; F11-A72 HydrophobicContact CD1-CB 4.07Å; F11-A72 HydrophobicContact CE1-CB 3.82Å; F11-A75 HydrophobicContact CB-CB 4.34Å
12G96.6Very high76.3Confident0 Ų069 Ų690%036%0.358CS..EExtended strand (participates in β ladder)trans-134.5139.6-176.300000113.7F31 T32 L66G12-F31 CarbonylContact O-C 3.49Å; G12-F31 WeakPolarHBondContact O-CA 3.15Å; G12-F31 WeakPolarHBondContact O-CD2 3.45Å; G12-T32 PolarHBondContact N-O 3.47Å; G12-T32 PolarHBondContact O-N 3.07Å; G12-L66 CarbonylContact C-O 3.52Å; G12-L66 VanDerWaalsContact CA-O 3.25Å; G12-L66 WeakPolarHBondContact CA-O 3.49Å
13V98.6Very high79.3Confident0 Ų068 Ų680%033%0.332CS..EExtended strand (participates in β ladder)trans-110.9125.3169.4-176.50000108.3V29 G30 I65 L66 F69 A75 F78 E79 W82V13-V29 HydrophobicContact CG1-CG1 3.97Å; V13-G30 CarbonylContact C-O 3.43Å; V13-G30 WeakPolarHBondContact CA-O 3.45Å; V13-I65 WeakPolarHBondContact O-CA 3.36Å; V13-L66 PolarHBondContact N-O 3.11Å; V13-L66 PolarHBondContact O-N 2.71Å; V13-F69 HydrophobicContact CB-CE2 4.12Å; V13-F69 HydrophobicContact CB-CZ 4.43Å; V13-F69 HydrophobicContact CG2-CD2 4.41Å; V13-F69 HydrophobicContact CG2-CE2 3.65Å; V13-F69 HydrophobicContact CG2-CZ 3.88Å; V13-A75 HydrophobicContact CG2-CB 3.99Å; V13-A75 VanDerWaalsContact CG2-O 3.3Å; V13-A75 WeakPolarHBondContact CG2-O 3.46Å; V13-F78 HydrophobicContact CB-CD1 4.32Å; V13-F78 HydrophobicContact CG1-CD1 4.12Å; V13-F78 HydrophobicContact CG2-CB 4.47Å; V13-F78 HydrophobicContact CG2-CD1 4.35Å; V13-E79 HydrophobicContact CG1-CB 3.89Å; V13-E79 HydrophobicContact CG1-CG 4.26Å; V13-E79 HydrophobicContact CG2-CB 4.19Å; V13-W82 HydrophobicContact CG1-CE3 3.75Å; V13-W82 HydrophobicContact CG1-CZ3 3.97Å
14Y98.4Very high82.1Confident0 Ų068 Ų680%033%0.325CS..EExtended strand (participates in β ladder)trans-122.5161.4-170.761.2-92.8000112.9L16 Y28 V29 G30 T32 R38 H42 M62 L64Y14-L16 HydrophobicContact CD2-CD2 3.92Å; Y14-L16 HydrophobicContact CD2-CG 3.81Å; Y14-L16 HydrophobicContact CE2-CD1 3.92Å; Y14-L16 HydrophobicContact CE2-CD2 3.96Å; Y14-L16 HydrophobicContact CE2-CG 3.65Å; Y14-Y28 HydrophobicContact CE2-CD1 4.23Å; Y14-Y28 HydrophobicContact CE2-CE1 4.39Å; Y14-V29 WeakPolarHBondContact O-CA 3.31Å; Y14-G30 WeakPolarHBondContact CD1-O 3.42Å; Y14-G30 VanDerWaalsContact CE1-O 3.28Å; Y14-G30 WeakPolarHBondContact CE1-O 3.18Å; Y14-G30 PolarHBondContact N-O 2.93Å; Y14-G30 PolarHBondContact O-N 3.2Å; Y14-G30 VanDerWaalsContact O-N 3.07Å; Y14-T32 HydrophobicContact CD1-CG2 3.67Å; Y14-T32 HydrophobicContact CE1-CG2 3.84Å; Y14-R38 HydrophobicContact CE1-CG 3.82Å; Y14-R38 WeakPolarHBondContact OH-CG 3.28Å; Y14-R38 PolarHBondContact OH-NE 3.47Å; Y14-H42 AromaticContact CE2-NE2 3.79Å; Y14-H42 AromaticContact CZ-NE2 3.63Å; Y14-H42 PolarHBondContact OH-NE2 2.75Å; Y14-M62 HydrophobicContact CD1-CE 3.85Å; Y14-M62 HydrophobicContact CD2-CE 3.8Å; Y14-M62 HydrophobicContact CD2-CG 4.2Å; Y14-M62 HydrophobicContact CD2-SD 4.45Å; Y14-M62 HydrophobicContact CE1-CE 4.29Å; Y14-M62 HydrophobicContact CE2-CE 4.25Å; Y14-M62 HydrophobicContact CG-CE 3.58Å; Y14-M62 HydrophobicContact CG-CG 4.17Å; Y14-M62 HydrophobicContact CG-SD 3.96Å; Y14-L64 WeakPolarHBondContact CA-O 3.42Å; Y14-L64 WeakPolarHBondContact CB-O 3.18Å
15L98.6Very high85Confident0 Ų062.6 Ų62.60%030%0.296CS..EExtended strand (participates in β ladder)trans-116.4124.2169.6-17165.6000109.2V27 V29 V63 L64 W82 F104 H107 L108L15-V27 HydrophobicContact CD1-CB 3.92Å; L15-V27 HydrophobicContact CD1-CG2 4.25Å; L15-V29 HydrophobicContact CD1-CG2 3.64Å; L15-V63 HydrophobicContact CB-CG2 4.33Å; L15-V63 HydrophobicContact CD2-CG2 4.41Å; L15-V63 HydrophobicContact CG-CG2 4.35Å; L15-V63 WeakPolarHBondContact O-CG2 3.22Å; L15-V63 PolarHBondContact O-N 3.02Å; L15-L64 HydrophobicContact CB-CD1 4.25Å; L15-L64 HydrophobicContact CB-CG 4Å; L15-L64 HydrophobicContact CD2-CD2 4.26Å; L15-L64 PolarHBondContact N-O 3.21Å; L15-W82 HydrophobicContact CB-CH2 3.77Å; L15-W82 HydrophobicContact CB-CZ2 4.21Å; L15-W82 HydrophobicContact CD1-CZ2 4.24Å; L15-W82 HydrophobicContact CD2-CH2 4.43Å; L15-W82 HydrophobicContact CD2-CZ2 4.09Å; L15-W82 HydrophobicContact CG-CH2 4.48Å; L15-W82 HydrophobicContact CG-CZ2 4.44Å; L15-F104 HydrophobicContact CD2-CD2 3.75Å; L15-F104 HydrophobicContact CD2-CE2 3.64Å; L15-H107 HydrophobicContact CD1-CB 4.13Å; L15-H107 HydrophobicContact CD2-CB 4.23Å; L15-L108 HydrophobicContact CD2-CD2 4.26Å
16L98.3Very high87.8Confident0 Ų065.1 Ų65.10%029%0.291CS..EExtended strand (participates in β ladder)trans-91.9149.2168.1-57.6173.4000110.5Y14 V27 Y28 H42 T54 W60 D61 M62Y14-L16 HydrophobicContact CD2-CD2 3.92Å; Y14-L16 HydrophobicContact CD2-CG 3.81Å; Y14-L16 HydrophobicContact CE2-CD1 3.92Å; Y14-L16 HydrophobicContact CE2-CD2 3.96Å; Y14-L16 HydrophobicContact CE2-CG 3.65Å; L16-V27 WeakPolarHBondContact O-CA 3.46Å; L16-V27 VanDerWaalsContact O-CB 3.3Å; L16-V27 WeakPolarHBondContact O-CB 3.44Å; L16-Y28 HydrophobicContact CD1-CD1 3.8Å; L16-Y28 HydrophobicContact CD1-CG 4.3Å; L16-Y28 HydrophobicContact CG-CD1 4.4Å; L16-Y28 PolarHBondContact N-O 3.46Å; L16-Y28 PolarHBondContact O-N 3.28Å; L16-H42 HydrophobicContact CD1-CB 4.2Å; L16-T54 HydrophobicContact CD1-CG2 4.28Å; L16-W60 HydrophobicContact CB-CE3 3.8Å; L16-W60 HydrophobicContact CB-CZ3 4.46Å; L16-W60 HydrophobicContact CD1-CB 4.32Å; L16-W60 HydrophobicContact CD1-CE3 4.42Å; L16-D61 CarbonylContact C-O 3.47Å; L16-D61 VanDerWaalsContact CA-O 3.22Å; L16-D61 WeakPolarHBondContact CA-O 3.48Å; L16-M62 HydrophobicContact CD2-CB 3.72Å; L16-M62 HydrophobicContact CD2-CG 4.16Å
17Y98.1Very high90.5Very high31 Ų3159.6 Ų59.612%0.12227%0.273CS..EExtended strand (participates in β ladder)trans-124.8132.5169.3-173.2-83.6000109.7R24 G25 V27 D61 F104 F134Y17-R24 HydrophobicContact CE1-CG 4.4Å; Y17-G25 WeakPolarHBondContact OH-CA 3.16Å; Y17-G25 PolarHBondContact OH-N 2.92Å; Y17-V27 HydrophobicContact CD2-CG1 4.17Å; Y17-D61 PolarHBondContact N-O 3.02Å; Y17-D61 PolarHBondContact O-N 3.06Å; Y17-F104 HydrophobicContact CD2-CB 4.12Å; Y17-F104 AromaticContact CD2-CD2 3.99Å; Y17-F104 HydrophobicContact CD2-CD2 3.99Å; Y17-F104 HydrophobicContact CD2-CG 4.03Å; Y17-F104 HydrophobicContact CE2-CB 4.03Å; Y17-F104 HydrophobicContact CE2-CG 4.19Å; Y17-F134 AromaticContact CD1-CE1 3.53Å; Y17-F134 HydrophobicContact CD1-CE1 3.53Å; Y17-F134 AromaticContact CD1-CZ 3.61Å; Y17-F134 HydrophobicContact CD1-CZ 3.61Å; Y17-F134 HydrophobicContact CD2-CD1 4.32Å; Y17-F134 AromaticContact CD2-CE1 3.61Å; Y17-F134 HydrophobicContact CD2-CE1 3.61Å; Y17-F134 AromaticContact CE1-CE1 3.83Å; Y17-F134 HydrophobicContact CE1-CE1 3.83Å; Y17-F134 AromaticContact CE1-CZ 3.93Å; Y17-F134 HydrophobicContact CE1-CZ 3.93Å; Y17-F134 AromaticContact CE2-CE1 3.86Å; Y17-F134 HydrophobicContact CE2-CE1 3.86Å; Y17-F134 HydrophobicContact CG-CD1 4.32Å; Y17-F134 AromaticContact CG-CE1 3.41Å; Y17-F134 HydrophobicContact CG-CE1 3.41Å; Y17-F134 VanDerWaalsContact CG-CE1 3.41Å; Y17-F134 AromaticContact CG-CZ 3.94Å; Y17-F134 HydrophobicContact CG-CZ 3.94Å; Y17-F134 AromaticContact CZ-CE1 3.97Å
18C97.3Very high92.8Very high0 Ų057.1 Ų57.10%026%0.255CS..EExtended strand (participates in β ladder)trans-83.5119.8178.3-172.30000111.1H23 R24 G25 R26 R57 W60C18-H23 WeakPolarHBondContact CB-O 3.42Å; C18-R24 WeakPolarHBondContact O-CA 3.32Å; C18-G25 PolarHBondContact O-N 3.41Å; C18-R26 HydrophobicContact CB-CB 3.93Å; C18-R26 WeakPolarHBondContact CB-O 3.16Å; C18-R26 PolarHBondContact N-O 3.08Å; C18-R57 PolarHBondContact SG-O 2.87Å; C18-W60 HydrophobicContact CB-CD2 4.26Å; C18-W60 HydrophobicContact CB-CE3 3.78Å; C18-W60 HydrophobicContact CB-CH2 3.92Å; C18-W60 HydrophobicContact CB-CZ2 4.35Å; C18-W60 HydrophobicContact CB-CZ3 3.61Å
19Q94.8Very high94.5Very high57 Ų5750.2 Ų50.227%0.26622%0.223SC..  trans-86.9-13.7177.1-67.1-69.5-0.600113.2P21 P59 D61 F134Q19-P21 WeakPolarHBondContact O-CD 3.34Å; Q19-P59 HydrophobicContact CB-CG 4.24Å; Q19-P59 PolarHBondContact N-O 2.9Å; Q19-D61 WeakPolarHBondContact CG-OD2 3.46Å; Q19-D61 PolarHBondContact NE2-OD2 3.36Å; Q19-F134 VanDerWaalsContact NE2-CZ 3.31Å
20N94.2Very high95.4Very high33 Ų3343.8 Ų43.818%0.17620%0.199CC..  trans-60.2123.4-178.4-174.7-34.9000110.6R22 H23 R24 R57 G58N20-R22 PolarHBondContact O-N 3.39Å; N20-R22 WeakPolarHBondContact OD1-CB 3.35Å; N20-R22 PolarHBondContact OD1-N 3.31Å; N20-H23 HydrophobicContact CB-CB 4.32Å; N20-H23 CarbonylContact O-C 3.28Å; N20-H23 VanDerWaalsContact O-C 3.28Å; N20-H23 PolarHBondContact O-N 3.44Å; N20-R24 WeakPolarHBondContact O-CA 3.41Å; N20-R24 WeakPolarHBondContact O-CB 3.22Å; N20-R24 PolarHBondContact O-N 3.48Å; N20-R57 VanDerWaalsContact CB-O 3.27Å; N20-R57 WeakPolarHBondContact CB-O 3.3Å; N20-R57 PolarHBondContact ND2-O 3.48Å; N20-G58 WeakPolarHBondContact CB-O 3.5Å; N20-G58 PolarHBondContact ND2-O 2.98Å
21P94Very high95.8Very high119 Ų11943.8 Ų43.877%0.77320%0.199SC*.THydrogen-bonded Turntrans-54.2-32.1-178.6-28.535.6000114.6Q19 H23Q19-P21 WeakPolarHBondContact O-CD 3.34Å; P21-H23 VanDerWaalsContact C-N 3.28Å; P21-H23 PolarHBondContact O-N 3.28Å
22R93Very high95.8Very high221 Ų22143 Ų4383%0.83420%0.196SC*.THydrogen-bonded Turntrans-73.8-20178-63.6-177.5178.5169.3-0113.4N20N20-R22 PolarHBondContact O-N 3.39Å; N20-R22 WeakPolarHBondContact OD1-CB 3.35Å; N20-R22 PolarHBondContact OD1-N 3.31Å
23H89.9Confident95.7Very high54 Ų5445.8 Ų45.825%0.2521%0.212CC..THydrogen-bonded Turntrans-132.118-172.5-62.8-39000112.2C18 N20 P21 R26C18-H23 WeakPolarHBondContact CB-O 3.42Å; N20-H23 HydrophobicContact CB-CB 4.32Å; N20-H23 CarbonylContact O-C 3.28Å; N20-H23 VanDerWaalsContact O-C 3.28Å; N20-H23 PolarHBondContact O-N 3.44Å; P21-H23 VanDerWaalsContact C-N 3.28Å; P21-H23 PolarHBondContact O-N 3.28Å; H23-R26 WeakPolarHBondContact O-CB 3.44Å; H23-R26 VanDerWaalsContact O-CG 3.27Å; H23-R26 WeakPolarHBondContact O-CG 3.38Å; H23-R26 PolarHBondContact O-N 3.42Å
24R91.3Very high95.4Very high179 Ų17948 Ų4868%0.67522%0.224SC*.THydrogen-bonded Turntrans-60.2139-171.5-169.6176.3179.9-168.60.8110.5Y17 C18 N20 R26Y17-R24 HydrophobicContact CE1-CG 4.4Å; C18-R24 WeakPolarHBondContact O-CA 3.32Å; N20-R24 WeakPolarHBondContact O-CA 3.41Å; N20-R24 WeakPolarHBondContact O-CB 3.22Å; N20-R24 PolarHBondContact O-N 3.48Å; R24-R26 VanDerWaalsContact C-N 3.27Å; R24-R26 PolarHBondContact O-N 2.84Å
25G90.9Very high95.2Very high22 Ų2248.7 Ų48.723%0.22723%0.229CC..THydrogen-bonded Turntrans82.9-2.5-179.800000114.9Y17 C18Y17-G25 WeakPolarHBondContact OH-CA 3.16Å; Y17-G25 PolarHBondContact OH-N 2.92Å; C18-G25 PolarHBondContact O-N 3.41Å
26R94.9Very high94.9Very high119 Ų11950.9 Ų50.945%0.44925%0.247SC..  trans-67.9141.8165.7-71-174.4-176-115.6-2.4109.9C18 H23 R24 W60C18-R26 HydrophobicContact CB-CB 3.93Å; C18-R26 WeakPolarHBondContact CB-O 3.16Å; C18-R26 PolarHBondContact N-O 3.08Å; H23-R26 WeakPolarHBondContact O-CB 3.44Å; H23-R26 VanDerWaalsContact O-CG 3.27Å; H23-R26 WeakPolarHBondContact O-CG 3.38Å; H23-R26 PolarHBondContact O-N 3.42Å; R24-R26 VanDerWaalsContact C-N 3.27Å; R24-R26 PolarHBondContact O-N 2.84Å; R26-W60 HydrophobicContact CB-CH2 4.1Å; R26-W60 HydrophobicContact CB-CZ3 4.38Å
27V97.2Very high94.6Very high24 Ų2455.3 Ų55.315%0.14526%0.264CS..EExtended strand (participates in β ladder)trans-124.9160.4177-56.80000111.2L15 L16 Y17 S103 F104 H107L15-V27 HydrophobicContact CD1-CB 3.92Å; L15-V27 HydrophobicContact CD1-CG2 4.25Å; L16-V27 WeakPolarHBondContact O-CA 3.46Å; L16-V27 VanDerWaalsContact O-CB 3.3Å; L16-V27 WeakPolarHBondContact O-CB 3.44Å; Y17-V27 HydrophobicContact CD2-CG1 4.17Å; V27-S103 WeakPolarHBondContact CG2-OG 3.4Å; V27-F104 HydrophobicContact CG1-CB 3.94Å; V27-F104 HydrophobicContact CG1-CD2 4.11Å; V27-H107 VanDerWaalsContact CG2-CE1 3.44Å; V27-H107 WeakPolarHBondContact CG2-CE1 3.44Å; V27-H107 WeakPolarHBondContact CG2-ND1 3.48Å
28Y97.4Very high94.4Very high13 Ų1354.7 Ų54.75%0.05126%0.261CS..EExtended strand (participates in β ladder)trans-144128.3174.5177-85.4000108.7Y14 L16 H42 A51 R53 T54Y14-Y28 HydrophobicContact CE2-CD1 4.23Å; Y14-Y28 HydrophobicContact CE2-CE1 4.39Å; L16-Y28 HydrophobicContact CD1-CD1 3.8Å; L16-Y28 HydrophobicContact CD1-CG 4.3Å; L16-Y28 HydrophobicContact CG-CD1 4.4Å; L16-Y28 PolarHBondContact N-O 3.46Å; L16-Y28 PolarHBondContact O-N 3.28Å; Y28-H42 AromaticContact CD1-CE1 3.84Å; Y28-H42 AromaticContact CE1-CE1 3.49Å; Y28-H42 VanDerWaalsContact CE1-CE1 3.49Å; Y28-H42 WeakPolarHBondContact CE1-CE1 3.43Å; Y28-H42 AromaticContact CE1-NE2 3.86Å; Y28-A51 HydrophobicContact CE1-CB 4.34Å; Y28-A51 HydrophobicContact CE2-CB 3.77Å; Y28-A51 VanDerWaalsContact OH-CB 3.24Å; Y28-A51 WeakPolarHBondContact OH-CB 3.35Å; Y28-R53 HydrophobicContact CD2-CB 4.12Å; Y28-R53 HydrophobicContact CE2-CB 4.12Å; Y28-T54 HydrophobicContact CD1-CG2 4.14Å; Y28-T54 HydrophobicContact CD2-CG2 3.66Å; Y28-T54 HydrophobicContact CE2-CG2 4.19Å; Y28-T54 HydrophobicContact CG-CG2 3.64Å
29V98.5Very high94.3Very high4 Ų456.4 Ų56.42%0.02427%0.271CS..EExtended strand (participates in β ladder)trans-96.6136.21731780000108.2V13 Y14 L15 E79 W82 Q83V13-V29 HydrophobicContact CG1-CG1 3.97Å; Y14-V29 WeakPolarHBondContact O-CA 3.31Å; L15-V29 HydrophobicContact CD1-CG2 3.64Å; V29-E79 HydrophobicContact CG1-CG 3.95Å; V29-W82 HydrophobicContact CB-CE3 4.45Å; V29-W82 HydrophobicContact CG1-CB 4.17Å; V29-W82 HydrophobicContact CG1-CD2 3.84Å; V29-W82 HydrophobicContact CG1-CE3 3.46Å; V29-W82 VanDerWaalsContact CG1-CE3 3.46Å; V29-W82 HydrophobicContact CG1-CG 4.16Å; V29-W82 HydrophobicContact CG1-CZ3 4.13Å; V29-W82 HydrophobicContact CG2-CD2 3.8Å; V29-W82 HydrophobicContact CG2-CE3 4.1Å; V29-W82 HydrophobicContact CG2-CG 4.04Å; V29-Q83 HydrophobicContact CB-CG 3.85Å; V29-Q83 HydrophobicContact CG1-CG 4.17Å; V29-Q83 PolarHBondContact O-NE2 3.41Å
30G97.7Very high94.3Very high0 Ų061.3 Ų61.30%029%0.288CS..EExtended strand (participates in β ladder)trans-152.1168.2176.100000114V13 Y14 E79V13-G30 CarbonylContact C-O 3.43Å; V13-G30 WeakPolarHBondContact CA-O 3.45Å; Y14-G30 WeakPolarHBondContact CD1-O 3.42Å; Y14-G30 VanDerWaalsContact CE1-O 3.28Å; Y14-G30 WeakPolarHBondContact CE1-O 3.18Å; Y14-G30 PolarHBondContact N-O 2.93Å; Y14-G30 PolarHBondContact O-N 3.2Å; Y14-G30 VanDerWaalsContact O-N 3.07Å; G30-E79 WeakPolarHBondContact CA-OE1 3.48Å
31F97.3Very high94.2Very high28 Ų2861.5 Ų61.512%0.12329%0.287CS..EExtended strand (participates in β ladder)trans-104.3147.3173.1166.3-100.4000112.4F11 G12 V33 R38 A72 A75 L76 E79F11-F31 HydrophobicContact CB-CE2 4.19Å; F11-F31 HydrophobicContact CD1-CE2 4.07Å; F11-F31 AromaticContact CD1-CZ 3.92Å; F11-F31 HydrophobicContact CD1-CZ 3.92Å; G12-F31 CarbonylContact O-C 3.49Å; G12-F31 WeakPolarHBondContact O-CA 3.15Å; G12-F31 WeakPolarHBondContact O-CD2 3.45Å; F31-V33 HydrophobicContact CE1-CG1 4.35Å; F31-V33 HydrophobicContact CZ-CG1 3.87Å; F31-R38 PolarHBondContact O-NE 3.17Å; F31-R38 PolarHBondContact O-NH2 3.09Å; F31-A72 HydrophobicContact CZ-CB 4.07Å; F31-A75 HydrophobicContact CD2-CB 3.58Å; F31-A75 HydrophobicContact CE2-CB 3.57Å; F31-L76 HydrophobicContact CB-CD2 3.93Å; F31-L76 HydrophobicContact CD1-CD2 3.84Å; F31-L76 HydrophobicContact CD1-CG 4.37Å; F31-L76 HydrophobicContact CG-CD2 3.89Å; F31-L76 HydrophobicContact CG-CG 4.36Å; F31-E79 PolarHBondContact N-OE1 2.87Å
32T95.2Very high94.2Very high0 Ų055.9 Ų55.90%025%0.251CS..EExtended strand (participates in β ladder)trans-155.4150.7174.5-170.30000113.4G12 Y14 N34 P35 R38 I65G12-T32 PolarHBondContact N-O 3.47Å; G12-T32 PolarHBondContact O-N 3.07Å; Y14-T32 HydrophobicContact CD1-CG2 3.67Å; Y14-T32 HydrophobicContact CE1-CG2 3.84Å; T32-N34 PolarHBondContact OG1-N 3.17Å; T32-N34 PolarHBondContact OG1-O 3.47Å; T32-P35 HydrophobicContact CG2-CB 4.29Å; T32-P35 HydrophobicContact CG2-CG 3.88Å; T32-R38 WeakPolarHBondContact OG1-CB 3.46Å; T32-I65 HydrophobicContact CG2-CD1 4.15Å
33V93.8Very high94.3Very high57 Ų5748.9 Ų48.935%0.34523%0.23SC..SBendtrans-97.4-12163.3-61.70000113F10 F11 F31F10-V33 VanDerWaalsContact O-CA 3.25Å; F10-V33 WeakPolarHBondContact O-CA 3.5Å; F10-V33 WeakPolarHBondContact O-CB 3.39Å; F10-V33 WeakPolarHBondContact O-CG1 3.23Å; F11-V33 HydrophobicContact CD1-CG1 3.89Å; F11-V33 HydrophobicContact CE1-CG1 4.05Å; F31-V33 HydrophobicContact CE1-CG1 4.35Å; F31-V33 HydrophobicContact CZ-CG1 3.87Å
34N92.6Very high94.4Very high46 Ų4649.3 Ų49.325%0.24624%0.243CC..  trans-142.294.4179.1-171.9-39.8000110.6T32 A36 R37 R38T32-N34 PolarHBondContact OG1-N 3.17Å; T32-N34 PolarHBondContact OG1-O 3.47Å; N34-A36 PolarHBondContact O-N 2.94Å; N34-A36 PolarHBondContact OD1-N 2.83Å; N34-R37 HydrophobicContact CB-CB 3.99Å; N34-R37 PolarHBondContact O-N 2.74Å; N34-R37 WeakPolarHBondContact OD1-CB 3.48Å; N34-R37 PolarHBondContact OD1-N 3.41Å; N34-R38 WeakPolarHBondContact O-CB 3.27Å; N34-R38 PolarHBondContact O-N 2.8Å
35P93.8Very high94.4Very high15 Ų1541.1 Ų41.110%0.09721%0.214CC..Hα-helixtrans-60.6-40.5-175.3-27.837.6000113.9F10 T32 R38 V39 M62 I65 P153F10-P35 HydrophobicContact CD1-CG 4.25Å; F10-P35 HydrophobicContact CE1-CG 3.43Å; F10-P35 VanDerWaalsContact CE1-CG 3.43Å; F10-P35 HydrophobicContact CZ-CG 3.78Å; T32-P35 HydrophobicContact CG2-CB 4.29Å; T32-P35 HydrophobicContact CG2-CG 3.88Å; P35-R38 PolarHBondContact O-N 3.49Å; P35-V39 PolarHBondContact O-N 3.31Å; P35-M62 HydrophobicContact CB-CE 4.11Å; P35-M62 HydrophobicContact CB-SD 3.97Å; P35-I65 HydrophobicContact CB-CD1 4.03Å; P35-I65 HydrophobicContact CG-CD1 3.5Å; P35-I65 VanDerWaalsContact CG-CD1 3.5Å; P35-P153 HydrophobicContact CB-CG 4.09Å; P35-P153 HydrophobicContact CG-CG 3.87Å
36A92.1Very high94.3Very high46 Ų4647.9 Ų47.938%0.3823%0.233SC..Hα-helixtrans-66.6-40.2-179.100000112N34 V39 R40N34-A36 PolarHBondContact O-N 2.94Å; N34-A36 PolarHBondContact OD1-N 2.83Å; A36-V39 WeakPolarHBondContact O-CG1 3.39Å; A36-R40 WeakPolarHBondContact O-CG 3.37Å
37R93Very high93.9Very high93 Ų9352.1 Ų52.135%0.35125%0.254SS..Hα-helixtrans-65.1-47.8172.7-174.7179.873-143.46110.9N34 V39 R40 Q41 E260N34-R37 HydrophobicContact CB-CB 3.99Å; N34-R37 PolarHBondContact O-N 2.74Å; N34-R37 WeakPolarHBondContact OD1-CB 3.48Å; N34-R37 PolarHBondContact OD1-N 3.41Å; R37-V39 PolarHBondContact O-N 3.3Å; R37-R40 WeakPolarHBondContact O-CB 3.31Å; R37-R40 PolarHBondContact O-N 3.42Å; R37-Q41 WeakPolarHBondContact O-CG 3.44Å; R37-Q41 PolarHBondContact O-N 3.02Å; R37-Q41 VanDerWaalsContact O-N 3.08Å; R37-E260 IonicContact NH2-OE1 2.78Å
38R94.6Very high93.4Very high19 Ų1958 Ų587%0.07228%0.278CS..Hα-helixtrans-63.6-42.4-173.2-166.663.2139.2164-9.1113.5Y14 F31 T32 N34 P35 R40 Q41 H42 E260Y14-R38 HydrophobicContact CE1-CG 3.82Å; Y14-R38 WeakPolarHBondContact OH-CG 3.28Å; Y14-R38 PolarHBondContact OH-NE 3.47Å; F31-R38 PolarHBondContact O-NE 3.17Å; F31-R38 PolarHBondContact O-NH2 3.09Å; T32-R38 WeakPolarHBondContact OG1-CB 3.46Å; N34-R38 WeakPolarHBondContact O-CB 3.27Å; N34-R38 PolarHBondContact O-N 2.8Å; P35-R38 PolarHBondContact O-N 3.49Å; R38-R40 VanDerWaalsContact C-N 3.29Å; R38-R40 PolarHBondContact O-N 2.7Å; R38-Q41 VanDerWaalsContact CD-OE1 3.27Å; R38-Q41 PolarHBondContact O-N 3.36Å; R38-H42 PolarHBondContact O-CD2 2.67Å; R38-H42 PolarHBondContact O-N 3.04Å; R38-H42 VanDerWaalsContact O-N 3.09Å; R38-E260 IonicContact CZ-OE2 3.3Å; R38-E260 IonicContact NE-OE2 3.62Å; R38-E260 IonicContact NH1-OE2 2.93Å; R38-E260 PolarHBondContact NH1-OE2 2.94Å; R38-E260 IonicContact NH2-OE2 3.59Å
39V94Very high92.8Very high35 Ų3559.2 Ų59.221%0.21229%0.294CS..Hα-helixtrans-64.1-34.9176.972.40000112P35 A36 R37 N43 M62P35-V39 PolarHBondContact O-N 3.31Å; A36-V39 WeakPolarHBondContact O-CG1 3.39Å; R37-V39 PolarHBondContact O-N 3.3Å; V39-N43 PolarHBondContact O-N 2.9Å; V39-N43 PolarHBondContact O-ND2 3.44Å; V39-N43 VanDerWaalsContact O-ND2 3.16Å; V39-M62 HydrophobicContact CB-CE 4.4Å; V39-M62 HydrophobicContact CG2-CB 4.34Å
40R94.3Very high92.3Very high161 Ų16159.3 Ų59.361%0.60830%0.296SS*.Hα-helixtrans-65.9-42.6174.1-70.4-171.7-64-106.75111.7A36 R37 R38 H42 N43 A44A36-R40 WeakPolarHBondContact O-CG 3.37Å; R37-R40 WeakPolarHBondContact O-CB 3.31Å; R37-R40 PolarHBondContact O-N 3.42Å; R38-R40 VanDerWaalsContact C-N 3.29Å; R38-R40 PolarHBondContact O-N 2.7Å; R40-H42 PolarHBondContact O-N 3.11Å; R40-N43 PolarHBondContact O-N 3.08Å; R40-A44 VanDerWaalsContact O-CB 3.28Å; R40-A44 WeakPolarHBondContact O-CB 3.49Å; R40-A44 PolarHBondContact O-N 3.17Å
41Q92.8Very high91.9Very high36 Ų3659.9 Ų59.917%0.16830%0.301CS..Hα-helixtrans-60.1-45.6176.9-67.9172-42.600111.7R37 R38 N43 A44 G45 K48 G50R37-Q41 WeakPolarHBondContact O-CG 3.44Å; R37-Q41 PolarHBondContact O-N 3.02Å; R37-Q41 VanDerWaalsContact O-N 3.08Å; R38-Q41 VanDerWaalsContact CD-OE1 3.27Å; R38-Q41 PolarHBondContact O-N 3.36Å; Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 3.41Å; Q41-A44 PolarHBondContact O-N 3.34Å; Q41-G45 PolarHBondContact O-N 2.93Å; Q41-K48 WeakPolarHBondContact CG-O 3.35Å; Q41-G50 WeakPolarHBondContact O-CA 3.22Å
42H93.8Very high91.6Very high2 Ų265.5 Ų65.51%0.00932%0.322CS..Hα-helixtrans-58.3-42.8176-78.4-66.2000113Y14 L16 Y28 R38 R40 G45 T54Y14-H42 AromaticContact CE2-NE2 3.79Å; Y14-H42 AromaticContact CZ-NE2 3.63Å; Y14-H42 PolarHBondContact OH-NE2 2.75Å; L16-H42 HydrophobicContact CD1-CB 4.2Å; Y28-H42 AromaticContact CD1-CE1 3.84Å; Y28-H42 AromaticContact CE1-CE1 3.49Å; Y28-H42 VanDerWaalsContact CE1-CE1 3.49Å; Y28-H42 WeakPolarHBondContact CE1-CE1 3.43Å; Y28-H42 AromaticContact CE1-NE2 3.86Å; R38-H42 PolarHBondContact O-CD2 2.67Å; R38-H42 PolarHBondContact O-N 3.04Å; R38-H42 VanDerWaalsContact O-N 3.09Å; R40-H42 PolarHBondContact O-N 3.11Å; H42-G45 PolarHBondContact O-N 2.81Å; H42-T54 WeakPolarHBondContact ND1-CG2 3.39Å; H42-T54 PolarHBondContact ND1-OG1 2.9Å
43N95.4Very high91.3Very high73 Ų7371 Ų7139%0.3934%0.342SS..Hα-helixtrans-75.7-27.2179.4-75.4-45000113.5V39 R40 Q41 P59 W60V39-N43 PolarHBondContact O-N 2.9Å; V39-N43 PolarHBondContact O-ND2 3.44Å; V39-N43 VanDerWaalsContact O-ND2 3.16Å; R40-N43 PolarHBondContact O-N 3.08Å; Q41-N43 VanDerWaalsContact C-N 3.32Å; Q41-N43 PolarHBondContact O-N 3.41Å; N43-P59 WeakPolarHBondContact OD1-CA 3.48Å; N43-W60 PolarHBondContact ND2-O 3.43Å; N43-W60 PolarHBondContact OD1-N 3.06Å
44A92Very high91.1Very high63 Ų6368.2 Ų68.252%0.52133%0.326SS..Hα-helixtrans-79.8-17.8174.500000113.3R40 Q41 K48R40-A44 VanDerWaalsContact O-CB 3.28Å; R40-A44 WeakPolarHBondContact O-CB 3.49Å; R40-A44 PolarHBondContact O-N 3.17Å; Q41-A44 PolarHBondContact O-N 3.34Å; A44-K48 HydrophobicContact CB-CB 3.68Å; A44-K48 HydrophobicContact CB-CG 3.95Å
45G90.1Very high91Very high7 Ų768.1 Ų68.17%0.07233%0.328CS..  trans89.1179.717500000114.7Q41 H42 K47 K48 G50Q41-G45 PolarHBondContact O-N 2.93Å; H42-G45 PolarHBondContact O-N 2.81Å; G45-K47 VanDerWaalsContact C-N 3.32Å; G45-K47 PolarHBondContact O-N 3.38Å; G45-K48 PolarHBondContact O-N 2.89Å; G45-G50 PolarHBondContact O-N 3.46Å
46R90.1Very high90.9Very high164 Ų16471 Ų7162%0.61936%0.361SS*.G310 helixtrans-56.3-39.9-168-174.8-178.3175.3-168.60.4114.4K48 G49 G50 S55R46-K48 PolarHBondContact O-N 2.85Å; R46-G49 PolarHBondContact O-N 3.14Å; R46-G49 VanDerWaalsContact O-N 3.1Å; R46-G50 VanDerWaalsContact CA-O 3.29Å; R46-G50 WeakPolarHBondContact CA-O 3.32Å; R46-S55 PolarHBondContact N-OG 3.07Å; R46-S55 VanDerWaalsContact N-OG 3.13Å
47K85.3Confident90.9Very high208 Ų20872 Ų7290%0.90436%0.355SS*.G310 helixtrans-64.7-9.2-179.9-63.4-172.3179.1-176.10113.9G45G45-K47 VanDerWaalsContact C-N 3.32Å; G45-K47 PolarHBondContact O-N 3.38Å
48K87.6Confident90.7Very high148 Ų14868.7 Ų68.764%0.64335%0.349SS*.G310 helixtrans-118.821.9179.7-60.7-63.5-175-179.20111.9Q41 A44 G45 R46Q41-K48 WeakPolarHBondContact CG-O 3.35Å; A44-K48 HydrophobicContact CB-CB 3.68Å; A44-K48 HydrophobicContact CB-CG 3.95Å; G45-K48 PolarHBondContact O-N 2.89Å; R46-K48 PolarHBondContact O-N 2.85Å
49G85.3Confident90.8Very high38 Ų3871.5 Ų71.539%0.39237%0.37SS..THydrogen-bonded Turntrans85.411.4178.100000114.9R46R46-G49 PolarHBondContact O-N 3.14Å; R46-G49 VanDerWaalsContact O-N 3.1Å
50G87.5Confident90.9Very high6 Ų670 Ų706%0.06236%0.361CS..  trans-77146.4172.400000112.3Q41 G45 R46 W52Q41-G50 WeakPolarHBondContact O-CA 3.22Å; G45-G50 PolarHBondContact O-N 3.46Å; R46-G50 VanDerWaalsContact CA-O 3.29Å; R46-G50 WeakPolarHBondContact CA-O 3.32Å; G50-W52 PolarHBondContact O-N 2.97Å
51A89Confident91.1Very high13 Ų1364 Ų6411%0.10734%0.341CS..  trans-59139.4175.400000111.8Y28 R53 T54 S55Y28-A51 HydrophobicContact CE1-CB 4.34Å; Y28-A51 HydrophobicContact CE2-CB 3.77Å; Y28-A51 VanDerWaalsContact OH-CB 3.24Å; Y28-A51 WeakPolarHBondContact OH-CB 3.35Å; A51-R53 PolarHBondContact O-N 3.02Å; A51-T54 HydrophobicContact CB-CG2 4.39Å; A51-T54 PolarHBondContact O-N 2.95Å; A51-T54 PolarHBondContact O-OG1 3.33Å; A51-S55 PolarHBondContact O-N 3.46Å
52W90.6Very high91.3Very high146 Ų14663 Ų6355%0.55334%0.336SS*.G310 helixtrans-54.1-42-178.916883.2000112.1G50 T54 S55G50-W52 PolarHBondContact O-N 2.97Å; W52-T54 PolarHBondContact O-N 3.32Å; W52-S55 WeakPolarHBondContact O-CB 3.48Å; W52-S55 PolarHBondContact O-N 2.98Å; W52-S55 VanDerWaalsContact O-N 3.08Å
53R89.8Confident91.5Very high114 Ų11462.9 Ų62.943%0.4334%0.336SS..G310 helixtrans-59.4-20.6179.1-64.9179.567.9139.6-3.5113.8Y28 A51 R57Y28-R53 HydrophobicContact CD2-CB 4.12Å; Y28-R53 HydrophobicContact CE2-CB 4.12Å; A51-R53 PolarHBondContact O-N 3.02Å; R53-R57 WeakPolarHBondContact O-CD 3.46Å; R53-R57 PolarHBondContact O-NH1 3.07Å
54T89.4Confident91.6Very high0 Ų059.4 Ų59.40%032%0.317CS..G310 helixtrans-101.1-16.5-179.665.80000113.9L16 Y28 H42 A51 W52 G56 R57 W60L16-T54 HydrophobicContact CD1-CG2 4.28Å; Y28-T54 HydrophobicContact CD1-CG2 4.14Å; Y28-T54 HydrophobicContact CD2-CG2 3.66Å; Y28-T54 HydrophobicContact CE2-CG2 4.19Å; Y28-T54 HydrophobicContact CG-CG2 3.64Å; H42-T54 WeakPolarHBondContact ND1-CG2 3.39Å; H42-T54 PolarHBondContact ND1-OG1 2.9Å; A51-T54 HydrophobicContact CB-CG2 4.39Å; A51-T54 PolarHBondContact O-N 2.95Å; A51-T54 PolarHBondContact O-OG1 3.33Å; W52-T54 PolarHBondContact O-N 3.32Å; T54-G56 PolarHBondContact O-N 3.47Å; T54-R57 PolarHBondContact O-N 3.15Å; T54-W60 HydrophobicContact CG2-CD2 4.38Å; T54-W60 HydrophobicContact CG2-CH2 4.37Å; T54-W60 HydrophobicContact CG2-CZ2 4Å; T54-W60 PolarHBondContact O-NE1 3.37Å
55S91.3Very high91.9Very high43 Ų4356.4 Ų56.430%0.30129%0.292SS..THydrogen-bonded Turntrans-63.3129.7-171.5-168.90000112.5R46 A51 W52 R57R46-S55 PolarHBondContact N-OG 3.07Å; R46-S55 VanDerWaalsContact N-OG 3.13Å; A51-S55 PolarHBondContact O-N 3.46Å; W52-S55 WeakPolarHBondContact O-CB 3.48Å; W52-S55 PolarHBondContact O-N 2.98Å; W52-S55 VanDerWaalsContact O-N 3.08Å; S55-R57 PolarHBondContact O-N 2.84Å; S55-R57 VanDerWaalsContact O-N 3.16Å
56G90.7Very high92.3Very high77 Ų7756 Ų5679%0.79429%0.289SS*.THydrogen-bonded Turntrans69.35.8176.800000115.4T54T54-G56 PolarHBondContact O-N 3.47Å
57R91.3Very high92.5Very high67 Ų6749.1 Ų49.125%0.25326%0.263SS..THydrogen-bonded Turntrans-106.9-10.6-177.3-65.2173.9-172.6172.9-1.1113.6C18 N20 R53 T54 S55 W60C18-R57 PolarHBondContact SG-O 2.87Å; N20-R57 VanDerWaalsContact CB-O 3.27Å; N20-R57 WeakPolarHBondContact CB-O 3.3Å; N20-R57 PolarHBondContact ND2-O 3.48Å; R53-R57 WeakPolarHBondContact O-CD 3.46Å; R53-R57 PolarHBondContact O-NH1 3.07Å; T54-R57 PolarHBondContact O-N 3.15Å; S55-R57 PolarHBondContact O-N 2.84Å; S55-R57 VanDerWaalsContact O-N 3.16Å; R57-W60 HydrophobicContact CB-CZ2 3.81Å
58G90.8Very high92.8Very high22 Ų2240.8 Ų40.823%0.22724%0.236CC..  trans-64.3179.9-177.800000114.2N20 W60N20-G58 WeakPolarHBondContact CB-O 3.5Å; N20-G58 PolarHBondContact ND2-O 2.98Å; G58-W60 VanDerWaalsContact CA-CD1 3.44Å
59P95.3Very high93.1Very high78 Ų7834.1 Ų34.151%0.50621%0.207SC..  cis-74.2145.810.926.7-31.5000113.7Q19 N43Q19-P59 HydrophobicContact CB-CG 4.24Å; Q19-P59 PolarHBondContact N-O 2.9Å; N43-P59 WeakPolarHBondContact OD1-CA 3.48Å
60W97.1Very high93.3Very high4 Ų436.4 Ų36.42%0.01522%0.215CC..EExtended strand (participates in β ladder)trans-109.9129176.1-63.694.4000109.6L16 C18 R26 N43 T54 R57 G58L16-W60 HydrophobicContact CB-CE3 3.8Å; L16-W60 HydrophobicContact CB-CZ3 4.46Å; L16-W60 HydrophobicContact CD1-CB 4.32Å; L16-W60 HydrophobicContact CD1-CE3 4.42Å; C18-W60 HydrophobicContact CB-CD2 4.26Å; C18-W60 HydrophobicContact CB-CE3 3.78Å; C18-W60 HydrophobicContact CB-CH2 3.92Å; C18-W60 HydrophobicContact CB-CZ2 4.35Å; C18-W60 HydrophobicContact CB-CZ3 3.61Å; R26-W60 HydrophobicContact CB-CH2 4.1Å; R26-W60 HydrophobicContact CB-CZ3 4.38Å; N43-W60 PolarHBondContact ND2-O 3.43Å; N43-W60 PolarHBondContact OD1-N 3.06Å; T54-W60 HydrophobicContact CG2-CD2 4.38Å; T54-W60 HydrophobicContact CG2-CH2 4.37Å; T54-W60 HydrophobicContact CG2-CZ2 4Å; T54-W60 PolarHBondContact O-NE1 3.37Å; R57-W60 HydrophobicContact CB-CZ2 3.81Å; G58-W60 VanDerWaalsContact CA-CD1 3.44Å
61D96.9Very high93.4Very high36 Ų3638.3 Ų38.319%0.19323%0.227CC..EExtended strand (participates in β ladder)trans-102.1131.2170.2-72.7-25.7000109.4L16 Y17 Q19 V63 R131L16-D61 CarbonylContact C-O 3.47Å; L16-D61 VanDerWaalsContact CA-O 3.22Å; L16-D61 WeakPolarHBondContact CA-O 3.48Å; Y17-D61 PolarHBondContact N-O 3.02Å; Y17-D61 PolarHBondContact O-N 3.06Å; Q19-D61 WeakPolarHBondContact CG-OD2 3.46Å; Q19-D61 PolarHBondContact NE2-OD2 3.36Å; D61-V63 HydrophobicContact CB-CG1 4.18Å; D61-V63 PolarHBondContact O-N 3.43Å; D61-R131 IonicContact OD2-CZ 3.04Å; D61-R131 IonicContact OD2-NH1 3.54Å
62M97.8Very high93.6Very high13 Ų1338.9 Ų38.96%0.06423%0.232CC..EExtended strand (participates in β ladder)trans-76.8106.6164.8-168.3-176.4-68.600107.2Y14 L16 P35 V39 I65 L130Y14-M62 HydrophobicContact CD1-CE 3.85Å; Y14-M62 HydrophobicContact CD2-CE 3.8Å; Y14-M62 HydrophobicContact CD2-CG 4.2Å; Y14-M62 HydrophobicContact CD2-SD 4.45Å; Y14-M62 HydrophobicContact CE1-CE 4.29Å; Y14-M62 HydrophobicContact CE2-CE 4.25Å; Y14-M62 HydrophobicContact CG-CE 3.58Å; Y14-M62 HydrophobicContact CG-CG 4.17Å; Y14-M62 HydrophobicContact CG-SD 3.96Å; L16-M62 HydrophobicContact CD2-CB 3.72Å; L16-M62 HydrophobicContact CD2-CG 4.16Å; P35-M62 HydrophobicContact CB-CE 4.11Å; P35-M62 HydrophobicContact CB-SD 3.97Å; V39-M62 HydrophobicContact CB-CE 4.4Å; V39-M62 HydrophobicContact CG2-CB 4.34Å; M62-I65 HydrophobicContact SD-CB 4.35Å; M62-I65 HydrophobicContact SD-CD1 4.1Å; M62-L130 HydrophobicContact CB-CD1 3.94Å; M62-L130 HydrophobicContact CG-CD1 3.63Å; M62-L130 WeakPolarHBondContact O-CB 3.36Å; M62-L130 HydrophobicContact SD-CD1 3.52Å; M62-L130 VanDerWaalsContact SD-CD1 3.52Å
63V98.1Very high93.8Very high0 Ų035.7 Ų35.70%023%0.228CC..EExtended strand (participates in β ladder)trans-88.5-34.3-171.1-65.10000112L15 D61 F104 L130 R131 F134L15-V63 HydrophobicContact CB-CG2 4.33Å; L15-V63 HydrophobicContact CD2-CG2 4.41Å; L15-V63 HydrophobicContact CG-CG2 4.35Å; L15-V63 WeakPolarHBondContact O-CG2 3.22Å; L15-V63 PolarHBondContact O-N 3.02Å; D61-V63 HydrophobicContact CB-CG1 4.18Å; D61-V63 PolarHBondContact O-N 3.43Å; V63-F104 HydrophobicContact CG2-CE2 3.72Å; V63-F104 HydrophobicContact CG2-CZ 4.36Å; V63-L130 PolarHBondContact O-N 3.32Å; V63-R131 HydrophobicContact CB-CB 4.43Å; V63-R131 HydrophobicContact CG1-CB 4.39Å; V63-R131 HydrophobicContact CG1-CG 4.37Å; V63-R131 PolarHBondContact O-N 3.47Å; V63-F134 HydrophobicContact CB-CB 3.97Å; V63-F134 HydrophobicContact CB-CD1 4.18Å; V63-F134 HydrophobicContact CB-CD2 4.46Å; V63-F134 HydrophobicContact CB-CG 3.94Å; V63-F134 HydrophobicContact CG1-CB 4.18Å; V63-F134 HydrophobicContact CG1-CD1 3.66Å; V63-F134 HydrophobicContact CG1-CD2 3.8Å; V63-F134 HydrophobicContact CG1-CE1 3.92Å; V63-F134 HydrophobicContact CG1-CE2 4.04Å; V63-F134 HydrophobicContact CG1-CG 3.58Å; V63-F134 HydrophobicContact CG1-CZ 4.09Å
64L98Very high94.1Very high0 Ų031.1 Ų31.10%022%0.215CC..EExtended strand (participates in β ladder)trans-147.4157.3173.875.281000111.4Y14 L15 W82 L108 L111 L127 R128 W129Y14-L64 WeakPolarHBondContact CA-O 3.42Å; Y14-L64 WeakPolarHBondContact CB-O 3.18Å; L15-L64 HydrophobicContact CB-CD1 4.25Å; L15-L64 HydrophobicContact CB-CG 4Å; L15-L64 HydrophobicContact CD2-CD2 4.26Å; L15-L64 PolarHBondContact N-O 3.21Å; L64-W82 HydrophobicContact CD1-CH2 3.75Å; L64-W82 HydrophobicContact CD1-CZ3 4.49Å; L64-L108 HydrophobicContact CD2-CD2 3.55Å; L64-L111 HydrophobicContact CD1-CD2 4.12Å; L64-L111 HydrophobicContact CD2-CD2 4.11Å; L64-L127 HydrophobicContact CD1-CD1 3.75Å; L64-L127 HydrophobicContact CD2-CD1 4.46Å; L64-L127 HydrophobicContact CG-CD1 4.46Å; L64-R128 CarbonylContact C-O 3.58Å; L64-R128 WeakPolarHBondContact CA-O 3.34Å; L64-W129 HydrophobicContact CB-CD2 4.11Å; L64-W129 HydrophobicContact CB-CE3 3.75Å; L64-W129 HydrophobicContact CB-CZ3 4.07Å; L64-W129 HydrophobicContact CD2-CE3 4.11Å; L64-W129 HydrophobicContact CD2-CH2 3.58Å; L64-W129 HydrophobicContact CD2-CZ2 4.08Å; L64-W129 HydrophobicContact CD2-CZ3 3.58Å; L64-W129 HydrophobicContact CG-CZ3 4.42Å
65I98.3Very high94.4Very high0 Ų031.1 Ų31.10%022%0.215CC..EExtended strand (participates in β ladder)trans-141.1132.6174.6-171.1163.5000110.3F10 V13 T32 P35 M62 R128 L130F10-I65 HydrophobicContact CE1-CD1 3.93Å; F10-I65 HydrophobicContact CZ-CD1 3.8Å; V13-I65 WeakPolarHBondContact O-CA 3.36Å; T32-I65 HydrophobicContact CG2-CD1 4.15Å; P35-I65 HydrophobicContact CB-CD1 4.03Å; P35-I65 HydrophobicContact CG-CD1 3.5Å; P35-I65 VanDerWaalsContact CG-CD1 3.5Å; M62-I65 HydrophobicContact SD-CB 4.35Å; M62-I65 HydrophobicContact SD-CD1 4.1Å; I65-R128 HydrophobicContact CG2-CB 3.97Å; I65-R128 HydrophobicContact CG2-CG 4.35Å; I65-R128 PolarHBondContact N-O 2.81Å; I65-R128 WeakPolarHBondContact O-CB 3.33Å; I65-R128 PolarHBondContact O-N 2.99Å; I65-L130 HydrophobicContact CG2-CD1 4.15Å; I65-L130 HydrophobicContact CG2-CD2 3.98Å; I65-L130 HydrophobicContact CG2-CG 4.13Å
66L97.9Very high94.6Very high0 Ų032.7 Ų32.70%022%0.22CC..EExtended strand (participates in β ladder)trans-96.6125.3169.6-169.967.6000107.9G12 V13 F69 F78 L111 L115 L125 T126 L127G12-L66 CarbonylContact C-O 3.52Å; G12-L66 VanDerWaalsContact CA-O 3.25Å; G12-L66 WeakPolarHBondContact CA-O 3.49Å; V13-L66 PolarHBondContact N-O 3.11Å; V13-L66 PolarHBondContact O-N 2.71Å; L66-F69 HydrophobicContact CB-CE2 4.36Å; L66-F69 HydrophobicContact CD2-CE2 4.28Å; L66-F69 HydrophobicContact CD2-CZ 3.84Å; L66-F69 HydrophobicContact CG-CE2 4.15Å; L66-F69 HydrophobicContact CG-CZ 4.19Å; L66-F69 WeakPolarHBondContact O-CE2 3.47Å; L66-F78 HydrophobicContact CD2-CD1 4.29Å; L66-F78 HydrophobicContact CD2-CD2 4.27Å; L66-F78 HydrophobicContact CD2-CE1 3.64Å; L66-F78 HydrophobicContact CD2-CE2 3.62Å; L66-F78 HydrophobicContact CD2-CZ 3.26Å; L66-L111 HydrophobicContact CD2-CD1 4.3Å; L66-L115 HydrophobicContact CD1-CD2 3.79Å; L66-L115 HydrophobicContact CD2-CD2 3.64Å; L66-L115 HydrophobicContact CG-CD2 4.41Å; L66-L125 HydrophobicContact CD1-CB 3.84Å; L66-L125 HydrophobicContact CD1-CD1 4.47Å; L66-L125 HydrophobicContact CD2-CD1 3.86Å; L66-L125 HydrophobicContact CG-CB 4.17Å; L66-L125 HydrophobicContact CG-CD1 4.22Å; L66-T126 WeakPolarHBondContact CA-O 3.1Å; L66-L127 HydrophobicContact CD1-CB 4.05Å; L66-L127 HydrophobicContact CD1-CD1 4.47Å
67H95.6Very high95Very high19 Ų1937.5 Ų37.59%0.08821%0.214CC..EExtended strand (participates in β ladder)trans-136.6174.3-178.26784.9000111.8F10 F11 L125 T126 R128F10-H67 HydrophobicContact CE2-CB 3.63Å; F10-H67 AromaticContact CE2-CG 3.86Å; F10-H67 HydrophobicContact CZ-CB 3.67Å; F11-H67 WeakPolarHBondContact O-CA 3.33Å; H67-L125 CarbonylContact O-C 3.5Å; H67-L125 VanDerWaalsContact O-CA 3.24Å; H67-L125 WeakPolarHBondContact O-CA 3.45Å; H67-T126 VanDerWaalsContact CE1-CB 3.49Å; H67-T126 WeakPolarHBondContact CE1-CB 3.28Å; H67-T126 PolarHBondContact N-O 3.22Å; H67-T126 PolarHBondContact O-N 3.23Å; H67-R128 PolarHBondContact NE2-NE 2.77Å; H67-R128 VanDerWaalsContact NE2-NE 3.18Å
68G91.4Very high95.3Very high32 Ų3234.3 Ų34.333%0.3320%0.202SC..  trans92.917.4-173.100000113.4
69F93.3Very high95.7Very high9 Ų933.6 Ų33.64%0.03919%0.193CC..  trans-66.1140.9172.7-70.1-83.6000110.4F11 V13 L66 S71 A74 A75 F78 L123 L125F11-F69 HydrophobicContact CB-CB 3.98Å; F11-F69 WeakPolarHBondContact CD2-O 3.42Å; V13-F69 HydrophobicContact CB-CE2 4.12Å; V13-F69 HydrophobicContact CB-CZ 4.43Å; V13-F69 HydrophobicContact CG2-CD2 4.41Å; V13-F69 HydrophobicContact CG2-CE2 3.65Å; V13-F69 HydrophobicContact CG2-CZ 3.88Å; L66-F69 HydrophobicContact CB-CE2 4.36Å; L66-F69 HydrophobicContact CD2-CE2 4.28Å; L66-F69 HydrophobicContact CD2-CZ 3.84Å; L66-F69 HydrophobicContact CG-CE2 4.15Å; L66-F69 HydrophobicContact CG-CZ 4.19Å; L66-F69 WeakPolarHBondContact O-CE2 3.47Å; F69-S71 PolarHBondContact O-N 3.22Å; F69-A74 HydrophobicContact CD1-CB 4.29Å; F69-A75 HydrophobicContact CB-CB 3.93Å; F69-A75 HydrophobicContact CD1-CB 4.13Å; F69-A75 HydrophobicContact CD2-CB 3.79Å; F69-A75 HydrophobicContact CE2-CB 4.31Å; F69-A75 HydrophobicContact CG-CB 3.68Å; F69-F78 HydrophobicContact CE1-CB 3.62Å; F69-F78 AromaticContact CE1-CD2 3.83Å; F69-F78 HydrophobicContact CE1-CD2 3.83Å; F69-F78 AromaticContact CE1-CG 3.82Å; F69-F78 HydrophobicContact CE1-CG 3.82Å; F69-F78 HydrophobicContact CZ-CB 3.74Å; F69-F78 HydrophobicContact CZ-CD1 4.06Å; F69-F78 AromaticContact CZ-CD2 3.85Å; F69-F78 HydrophobicContact CZ-CD2 3.85Å; F69-F78 AromaticContact CZ-CG 3.62Å; F69-F78 HydrophobicContact CZ-CG 3.62Å; F69-L123 HydrophobicContact CD1-CD1 4.32Å; F69-L125 HydrophobicContact CB-CD2 4.48Å; F69-L125 HydrophobicContact CD1-CD2 3.68Å; F69-L125 HydrophobicContact CD2-CD2 4.08Å; F69-L125 HydrophobicContact CE1-CD1 4.02Å; F69-L125 HydrophobicContact CE1-CD2 3.82Å; F69-L125 HydrophobicContact CE2-CD2 4.21Å; F69-L125 HydrophobicContact CG-CD2 3.82Å; F69-L125 HydrophobicContact CZ-CD1 4.19Å; F69-L125 HydrophobicContact CZ-CD2 4.1Å
70P89.3Confident95.8Very high86 Ų8634.2 Ų34.256%0.55819%0.185SC*.SBendtrans-72.2-16.7-178.729.5-36.5000113.3A74 L123P70-A74 HydrophobicContact CG-CB 3.89Å; P70-L123 HydrophobicContact CG-CD2 4.11Å
71S90.6Very high95.8Very high45 Ų4534.1 Ų34.132%0.31519%0.185SC..SBendtrans-160.9163.6177.867.50000112F69 V73 A74 A75F69-S71 PolarHBondContact O-N 3.22Å; S71-V73 VanDerWaalsContact C-N 3.26Å; S71-V73 PolarHBondContact O-N 3.19Å; S71-A74 PolarHBondContact O-N 3.14Å; S71-A74 PolarHBondContact OG-N 3.03Å; S71-A75 PolarHBondContact O-N 3.44Å; S71-A75 VanDerWaalsContact O-N 3.14Å
72A92.4Very high95.9Very high25 Ų2532.4 Ų32.421%0.20718%0.176CC..Hα-helixtrans-55.8-41.7170.300000111.7F11 F31 A74 A75 L76F11-A72 HydrophobicContact CD1-CB 4.07Å; F11-A72 HydrophobicContact CE1-CB 3.82Å; F31-A72 HydrophobicContact CZ-CB 4.07Å; A72-A74 VanDerWaalsContact C-N 3.35Å; A72-A74 PolarHBondContact O-N 2.93Å; A72-A75 PolarHBondContact O-N 3.26Å; A72-L76 WeakPolarHBondContact O-CB 3.31Å; A72-L76 VanDerWaalsContact O-CG 3.29Å; A72-L76 WeakPolarHBondContact O-CG 3.48Å; A72-L76 PolarHBondContact O-N 3.21Å
73V94.8Very high95.9Very high79 Ų7933.8 Ų33.848%0.47918%0.182SC..Hα-helixtrans-61.1-42.2178.6178.20000111.7S71 A75 R77S71-V73 VanDerWaalsContact C-N 3.26Å; S71-V73 PolarHBondContact O-N 3.19Å; V73-A75 VanDerWaalsContact C-N 3.34Å; V73-R77 WeakPolarHBondContact O-CB 3.36Å; V73-R77 VanDerWaalsContact O-CG 3.3Å; V73-R77 WeakPolarHBondContact O-CG 3.42Å; V73-R77 PolarHBondContact O-N 2.89Å
74A94.9Very high95.8Very high19 Ų1936.5 Ų36.516%0.15720%0.195CC..Hα-helixtrans-63.9-41.517700000111.7F69 P70 S71 A72 F78F69-A74 HydrophobicContact CD1-CB 4.29Å; P70-A74 HydrophobicContact CG-CB 3.89Å; S71-A74 PolarHBondContact O-N 3.14Å; S71-A74 PolarHBondContact OG-N 3.03Å; A72-A74 VanDerWaalsContact C-N 3.35Å; A72-A74 PolarHBondContact O-N 2.93Å; A74-F78 PolarHBondContact O-N 3.23Å
75A96.6Very high95.8Very high0 Ų036.9 Ų36.90%020%0.197CC..Hα-helixtrans-67-45.3177.700000112.2F11 V13 F31 F69 S71 A72 V73 R77 F78 E79F11-A75 HydrophobicContact CB-CB 4.34Å; V13-A75 HydrophobicContact CG2-CB 3.99Å; V13-A75 VanDerWaalsContact CG2-O 3.3Å; V13-A75 WeakPolarHBondContact CG2-O 3.46Å; F31-A75 HydrophobicContact CD2-CB 3.58Å; F31-A75 HydrophobicContact CE2-CB 3.57Å; F69-A75 HydrophobicContact CB-CB 3.93Å; F69-A75 HydrophobicContact CD1-CB 4.13Å; F69-A75 HydrophobicContact CD2-CB 3.79Å; F69-A75 HydrophobicContact CE2-CB 4.31Å; F69-A75 HydrophobicContact CG-CB 3.68Å; S71-A75 PolarHBondContact O-N 3.44Å; S71-A75 VanDerWaalsContact O-N 3.14Å; A72-A75 PolarHBondContact O-N 3.26Å; V73-A75 VanDerWaalsContact C-N 3.34Å; A75-R77 PolarHBondContact O-N 2.99Å; A75-F78 WeakPolarHBondContact O-CA 3.02Å; A75-F78 WeakPolarHBondContact O-CB 3.47Å; A75-F78 PolarHBondContact O-N 3.33Å; A75-F78 VanDerWaalsContact O-N 3.1Å; A75-E79 PolarHBondContact O-N 3.27Å
76L96.4Very high95.7Very high75 Ų7542.1 Ų42.139%0.39322%0.222SC..Hα-helixtrans-63.4-39.2178.3-72.2167.3000112F31 A72 F78 E79 W80F31-L76 HydrophobicContact CB-CD2 3.93Å; F31-L76 HydrophobicContact CD1-CD2 3.84Å; F31-L76 HydrophobicContact CD1-CG 4.37Å; F31-L76 HydrophobicContact CG-CD2 3.89Å; F31-L76 HydrophobicContact CG-CG 4.36Å; A72-L76 WeakPolarHBondContact O-CB 3.31Å; A72-L76 VanDerWaalsContact O-CG 3.29Å; A72-L76 WeakPolarHBondContact O-CG 3.48Å; A72-L76 PolarHBondContact O-N 3.21Å; L76-F78 VanDerWaalsContact C-N 3.28Å; L76-F78 PolarHBondContact O-N 2.98Å; L76-E79 PolarHBondContact O-N 2.82Å; L76-W80 WeakPolarHBondContact O-CB 3.43Å; L76-W80 PolarHBondContact O-N 3.36Å
77R97.5Very high95.6Very high178 Ų17845.2 Ų45.267%0.67225%0.248SC*.Hα-helixtrans-63.1-35.6173-75.2174.7174.2179.20.3112.5V73 A75 A81V73-R77 WeakPolarHBondContact O-CB 3.36Å; V73-R77 VanDerWaalsContact O-CG 3.3Å; V73-R77 WeakPolarHBondContact O-CG 3.42Å; V73-R77 PolarHBondContact O-N 2.89Å; A75-R77 PolarHBondContact O-N 2.99Å; R77-A81 PolarHBondContact O-N 3.3Å
78F98.4Very high95.6Very high0 Ų044.7 Ų44.70%025%0.246CC..Hα-helixtrans-68.1-51.5174.1-170.4-75.3000110.5V13 L66 F69 A74 A75 L76 W80 A81 W82 L111 M114 L115 W120V13-F78 HydrophobicContact CB-CD1 4.32Å; V13-F78 HydrophobicContact CG1-CD1 4.12Å; V13-F78 HydrophobicContact CG2-CB 4.47Å; V13-F78 HydrophobicContact CG2-CD1 4.35Å; L66-F78 HydrophobicContact CD2-CD1 4.29Å; L66-F78 HydrophobicContact CD2-CD2 4.27Å; L66-F78 HydrophobicContact CD2-CE1 3.64Å; L66-F78 HydrophobicContact CD2-CE2 3.62Å; L66-F78 HydrophobicContact CD2-CZ 3.26Å; F69-F78 HydrophobicContact CE1-CB 3.62Å; F69-F78 AromaticContact CE1-CD2 3.83Å; F69-F78 HydrophobicContact CE1-CD2 3.83Å; F69-F78 AromaticContact CE1-CG 3.82Å; F69-F78 HydrophobicContact CE1-CG 3.82Å; F69-F78 HydrophobicContact CZ-CB 3.74Å; F69-F78 HydrophobicContact CZ-CD1 4.06Å; F69-F78 AromaticContact CZ-CD2 3.85Å; F69-F78 HydrophobicContact CZ-CD2 3.85Å; F69-F78 AromaticContact CZ-CG 3.62Å; F69-F78 HydrophobicContact CZ-CG 3.62Å; A74-F78 PolarHBondContact O-N 3.23Å; A75-F78 WeakPolarHBondContact O-CA 3.02Å; A75-F78 WeakPolarHBondContact O-CB 3.47Å; A75-F78 PolarHBondContact O-N 3.33Å; A75-F78 VanDerWaalsContact O-N 3.1Å; L76-F78 VanDerWaalsContact C-N 3.28Å; L76-F78 PolarHBondContact O-N 2.98Å; F78-W80 VanDerWaalsContact C-N 3.35Å; F78-W80 PolarHBondContact O-N 3.14Å; F78-A81 PolarHBondContact O-N 3.2Å; F78-W82 HydrophobicContact CD1-CE3 4.39Å; F78-W82 HydrophobicContact CE1-CD2 4.38Å; F78-W82 AromaticContact CE1-CE3 3.89Å; F78-W82 HydrophobicContact CE1-CE3 3.89Å; F78-W82 HydrophobicContact CE1-CZ3 4.5Å; F78-W82 PolarHBondContact O-N 3.12Å; F78-L111 HydrophobicContact CE1-CD1 4.05Å; F78-L111 HydrophobicContact CZ-CD1 3.72Å; F78-M114 HydrophobicContact CD1-CE 3.59Å; F78-M114 HydrophobicContact CD2-CE 3.75Å; F78-M114 HydrophobicContact CE1-CE 3.52Å; F78-M114 HydrophobicContact CE1-SD 4.16Å; F78-M114 HydrophobicContact CE2-CB 3.98Å; F78-M114 HydrophobicContact CE2-CE 3.7Å; F78-M114 HydrophobicContact CG-CE 3.69Å; F78-M114 HydrophobicContact CZ-CB 3.85Å; F78-M114 HydrophobicContact CZ-CE 3.57Å; F78-M114 HydrophobicContact CZ-SD 4.14Å; F78-M114 WeakPolarHBondContact O-CE 3.45Å; F78-L115 HydrophobicContact CE2-CD2 4.45Å; F78-L115 HydrophobicContact CZ-CD2 4.29Å; F78-W120 HydrophobicContact CD2-CB 4.28Å; F78-W120 AromaticContact CD2-CD1 3.56Å; F78-W120 AromaticContact CD2-CD2 3.8Å; F78-W120 HydrophobicContact CD2-CD2 3.8Å; F78-W120 AromaticContact CD2-CE2 3.78Å; F78-W120 AromaticContact CD2-CG 3.64Å; F78-W120 HydrophobicContact CD2-CG 3.64Å; F78-W120 AromaticContact CD2-NE1 3.61Å; F78-W120 HydrophobicContact CE2-CB 4.26Å; F78-W120 HydrophobicContact CE2-CD2 4.16Å; F78-W120 HydrophobicContact CE2-CG 4.02Å
79E98.4Very high95.7Very high8 Ų854.1 Ų54.14%0.03727%0.272CS..Hα-helixtrans-52.6-51.1178.6-178.6-132.1-147.400111.8V13 V29 G30 F31 A75 L76 A81 W82 Q83 H262V13-E79 HydrophobicContact CG1-CB 3.89Å; V13-E79 HydrophobicContact CG1-CG 4.26Å; V13-E79 HydrophobicContact CG2-CB 4.19Å; V29-E79 HydrophobicContact CG1-CG 3.95Å; G30-E79 WeakPolarHBondContact CA-OE1 3.48Å; F31-E79 PolarHBondContact N-OE1 2.87Å; A75-E79 PolarHBondContact O-N 3.27Å; L76-E79 PolarHBondContact O-N 2.82Å; E79-A81 VanDerWaalsContact C-N 3.34Å; E79-A81 PolarHBondContact O-N 3.38Å; E79-W82 WeakPolarHBondContact O-CB 3.37Å; E79-W82 PolarHBondContact O-N 3.36Å; E79-W82 VanDerWaalsContact O-N 3.07Å; E79-Q83 HydrophobicContact CG-CG 4.48Å; E79-Q83 WeakPolarHBondContact O-CG 3.36Å; E79-Q83 PolarHBondContact O-N 3.04Å; E79-Q83 PolarHBondContact OE1-NE2 3.23Å; E79-H262 IonicContact OE1-CE1 3.63Å; E79-H262 PolarHBondContact OE1-CE1 2.99Å; E79-H262 IonicContact OE1-ND1 2.8Å; E79-H262 IonicContact OE2-CE1 3.95Å
80W97.8Very high95.8Very high91 Ų9159.6 Ų59.635%0.34529%0.292SS..Hα-helixtrans-57-46.7178.7-177.389.3000112.3L76 F78 W82 Q83 H84 A87L76-W80 WeakPolarHBondContact O-CB 3.43Å; L76-W80 PolarHBondContact O-N 3.36Å; F78-W80 VanDerWaalsContact C-N 3.35Å; F78-W80 PolarHBondContact O-N 3.14Å; W80-W82 PolarHBondContact O-N 3.18Å; W80-Q83 PolarHBondContact O-N 2.92Å; W80-H84 AromaticContact CD1-CD2 3.7Å; W80-H84 AromaticContact CE2-CD2 3.88Å; W80-H84 HydrophobicContact CH2-CB 4.44Å; W80-H84 HydrophobicContact CZ2-CB 4.22Å; W80-H84 AromaticContact NE1-CD2 3.55Å; W80-H84 WeakPolarHBondContact O-CB 3.45Å; W80-H84 PolarHBondContact O-CD2 3.18Å; W80-H84 PolarHBondContact O-N 3.2Å; W80-A87 HydrophobicContact CH2-CB 3.72Å; W80-A87 HydrophobicContact CZ2-CB 4.16Å
81A98.3Very high96.1Very high2 Ų255.5 Ų55.52%0.01727%0.265CS..Hα-helixtrans-65.4-30.7179.500000112.4R77 F78 E79 H84 P85 L91 M114 W120R77-A81 PolarHBondContact O-N 3.3Å; F78-A81 PolarHBondContact O-N 3.2Å; E79-A81 VanDerWaalsContact C-N 3.34Å; E79-A81 PolarHBondContact O-N 3.38Å; A81-H84 CarbonylContact O-C 3.54Å; A81-P85 WeakPolarHBondContact O-CA 3.24Å; A81-L91 HydrophobicContact CB-CD1 4.41Å; A81-L91 WeakPolarHBondContact O-CD1 3.42Å; A81-M114 HydrophobicContact CB-CE 3.83Å; A81-W120 HydrophobicContact CB-CH2 3.56Å; A81-W120 HydrophobicContact CB-CZ2 3.85Å
82W98.4Very high96.3Very high0 Ų059.1 Ų59.10%029%0.286CS..Hα-helixtrans-75.3-35.7175.9-164.88.7000112.5V13 L15 V29 L64 F78 E79 W80 H107 L111 M114V13-W82 HydrophobicContact CG1-CE3 3.75Å; V13-W82 HydrophobicContact CG1-CZ3 3.97Å; L15-W82 HydrophobicContact CB-CH2 3.77Å; L15-W82 HydrophobicContact CB-CZ2 4.21Å; L15-W82 HydrophobicContact CD1-CZ2 4.24Å; L15-W82 HydrophobicContact CD2-CH2 4.43Å; L15-W82 HydrophobicContact CD2-CZ2 4.09Å; L15-W82 HydrophobicContact CG-CH2 4.48Å; L15-W82 HydrophobicContact CG-CZ2 4.44Å; V29-W82 HydrophobicContact CB-CE3 4.45Å; V29-W82 HydrophobicContact CG1-CB 4.17Å; V29-W82 HydrophobicContact CG1-CD2 3.84Å; V29-W82 HydrophobicContact CG1-CE3 3.46Å; V29-W82 VanDerWaalsContact CG1-CE3 3.46Å; V29-W82 HydrophobicContact CG1-CG 4.16Å; V29-W82 HydrophobicContact CG1-CZ3 4.13Å; V29-W82 HydrophobicContact CG2-CD2 3.8Å; V29-W82 HydrophobicContact CG2-CE3 4.1Å; V29-W82 HydrophobicContact CG2-CG 4.04Å; L64-W82 HydrophobicContact CD1-CH2 3.75Å; L64-W82 HydrophobicContact CD1-CZ3 4.49Å; F78-W82 HydrophobicContact CD1-CE3 4.39Å; F78-W82 HydrophobicContact CE1-CD2 4.38Å; F78-W82 AromaticContact CE1-CE3 3.89Å; F78-W82 HydrophobicContact CE1-CE3 3.89Å; F78-W82 HydrophobicContact CE1-CZ3 4.5Å; F78-W82 PolarHBondContact O-N 3.12Å; E79-W82 WeakPolarHBondContact O-CB 3.37Å; E79-W82 PolarHBondContact O-N 3.36Å; E79-W82 VanDerWaalsContact O-N 3.07Å; W80-W82 PolarHBondContact O-N 3.18Å; W82-H107 HydrophobicContact CZ2-CB 4.47Å; W82-H107 AromaticContact NE1-CD2 3.87Å; W82-H107 PolarHBondContact NE1-O 3.44Å; W82-L111 HydrophobicContact CH2-CD1 4.28Å; W82-L111 HydrophobicContact CH2-CD2 3.98Å; W82-L111 HydrophobicContact CZ2-CB 3.86Å; W82-L111 HydrophobicContact CZ2-CD1 4.29Å; W82-L111 HydrophobicContact CZ2-CD2 3.89Å; W82-L111 HydrophobicContact CZ2-CG 4.24Å; W82-M114 HydrophobicContact CB-CE 3.96Å; W82-M114 HydrophobicContact CB-SD 3.62Å; W82-M114 HydrophobicContact CG-SD 3.94Å
83Q97.2Very high96.4Very high42 Ų4263.1 Ų63.120%0.19630%0.3CS..Hα-helixtrans-68.9-36172.3-71.8-179.8-14.600112.1V29 E79 W80 P85 H262V29-Q83 HydrophobicContact CB-CG 3.85Å; V29-Q83 HydrophobicContact CG1-CG 4.17Å; V29-Q83 PolarHBondContact O-NE2 3.41Å; E79-Q83 HydrophobicContact CG-CG 4.48Å; E79-Q83 WeakPolarHBondContact O-CG 3.36Å; E79-Q83 PolarHBondContact O-N 3.04Å; E79-Q83 PolarHBondContact OE1-NE2 3.23Å; W80-Q83 PolarHBondContact O-N 2.92Å; Q83-P85 VanDerWaalsContact C-CD 3.41Å; Q83-P85 WeakPolarHBondContact O-CD 3.29Å; Q83-H262 PolarHBondContact NE2-CE1 3.19Å; Q83-H262 PolarHBondContact NE2-NE2 3.38Å
84H96.8Very high96.4Very high56 Ų5659.4 Ų59.426%0.25928%0.278SS..  trans-125.159.9-172.4-53.7-77.6000112.9W80 A81 Q86 A87 S88W80-H84 AromaticContact CD1-CD2 3.7Å; W80-H84 AromaticContact CE2-CD2 3.88Å; W80-H84 HydrophobicContact CH2-CB 4.44Å; W80-H84 HydrophobicContact CZ2-CB 4.22Å; W80-H84 AromaticContact NE1-CD2 3.55Å; W80-H84 WeakPolarHBondContact O-CB 3.45Å; W80-H84 PolarHBondContact O-CD2 3.18Å; W80-H84 PolarHBondContact O-N 3.2Å; A81-H84 CarbonylContact O-C 3.54Å; H84-Q86 VanDerWaalsContact C-N 3.25Å; H84-Q86 PolarHBondContact O-N 3.3Å; H84-Q86 VanDerWaalsContact O-N 3.15Å; H84-A87 HydrophobicContact CB-CB 4.14Å; H84-A87 PolarHBondContact O-N 3.11Å; H84-S88 PolarHBondContact O-N 3.15Å; H84-S88 VanDerWaalsContact O-N 3.15Å
85P96.8Very high96.4Very high8 Ų860.1 Ų60.15%0.05229%0.287CS..THydrogen-bonded Turntrans-60.7-32.4-173.222.4-33.1000113.6A81 Q83 S88 L91 F106 V110A81-P85 WeakPolarHBondContact O-CA 3.24Å; Q83-P85 VanDerWaalsContact C-CD 3.41Å; Q83-P85 WeakPolarHBondContact O-CD 3.29Å; P85-S88 PolarHBondContact O-N 3.33Å; P85-L91 HydrophobicContact CB-CD1 4.04Å; P85-L91 WeakPolarHBondContact O-CB 3.48Å; P85-F106 HydrophobicContact CG-CE1 3.95Å; P85-F106 HydrophobicContact CG-CZ 3.73Å; P85-V110 HydrophobicContact CB-CG1 3.89Å; P85-V110 HydrophobicContact CB-CG2 3.97Å; P85-V110 HydrophobicContact CG-CG1 4.43Å; P85-V110 HydrophobicContact CG-CG2 4.02Å
86Q95.8Very high96.4Very high111 Ų11164 Ų6452%0.51931%0.312SS..THydrogen-bonded Turntrans-76.7-23.1-179.8-58-57.9-64.600113.5H84 V94H84-Q86 VanDerWaalsContact C-N 3.25Å; H84-Q86 PolarHBondContact O-N 3.3Å; H84-Q86 VanDerWaalsContact O-N 3.15Å; Q86-V94 PolarHBondContact NE2-O 3.19Å
87A96.6Very high96.4Very high65 Ų6566.4 Ų66.454%0.53732%0.316SS..THydrogen-bonded Turntrans-87-20.817500000111.8W80 H84 R89W80-A87 HydrophobicContact CH2-CB 3.72Å; W80-A87 HydrophobicContact CZ2-CB 4.16Å; H84-A87 HydrophobicContact CB-CB 4.14Å; H84-A87 PolarHBondContact O-N 3.11Å; A87-R89 PolarHBondContact O-N 3.07Å
88S95.9Very high96.4Very high8 Ų863 Ų636%0.05631%0.311CS..  trans-74.3117.1-179.2-179.50000111.7H84 P85 R90 L91H84-S88 PolarHBondContact O-N 3.15Å; H84-S88 VanDerWaalsContact O-N 3.15Å; P85-S88 PolarHBondContact O-N 3.33Å; S88-R90 PolarHBondContact O-N 3.07Å; S88-R90 PolarHBondContact OG-N 3.37Å; S88-L91 PolarHBondContact O-N 2.98Å
89R94.3Very high96.1Very high230 Ų23075 Ų7587%0.86836%0.356SS*.THydrogen-bonded Turntrans-57.5-19.1172.4-66.4178.561.5-155.8-1.1113.7A87 L91A87-R89 PolarHBondContact O-N 3.07Å; R89-L91 VanDerWaalsContact C-N 3.35Å
90R94.1Very high96Very high123 Ų12380.1 Ų80.146%0.46439%0.392SS..THydrogen-bonded Turntrans-83.7-13.1179.3-63177.3-179.5-67.3-4.4112.8S88 H93 P118 P119 W120S88-R90 PolarHBondContact O-N 3.07Å; S88-R90 PolarHBondContact OG-N 3.37Å; R90-H93 PolarHBondContact O-CE1 3.17Å; R90-P118 VanDerWaalsContact CD-O 3.23Å; R90-P118 WeakPolarHBondContact CD-O 3.3Å; R90-P118 VanDerWaalsContact NH1-C 3.28Å; R90-P118 PolarHBondContact NH1-O 3.35Å; R90-P119 VanDerWaalsContact CZ-CD 3.45Å; R90-W120 HydrophobicContact CB-CH2 4.14Å; R90-W120 HydrophobicContact CB-CZ3 4.04Å; R90-W120 HydrophobicContact CG-CH2 4.48Å
91L95.9Very high95.9Very high0 Ų077.3 Ų77.30%038%0.383CS..  trans-12522.4-171.4-59.8173.9000112.5A81 P85 S88 R89 H93 V94 V110 H113 M114A81-L91 HydrophobicContact CB-CD1 4.41Å; A81-L91 WeakPolarHBondContact O-CD1 3.42Å; P85-L91 HydrophobicContact CB-CD1 4.04Å; P85-L91 WeakPolarHBondContact O-CB 3.48Å; S88-L91 PolarHBondContact O-N 2.98Å; R89-L91 VanDerWaalsContact C-N 3.35Å; L91-H93 PolarHBondContact O-N 2.86Å; L91-H93 VanDerWaalsContact O-N 3.11Å; L91-V94 HydrophobicContact CB-CB 4.34Å; L91-V94 HydrophobicContact CB-CG2 4.08Å; L91-V94 HydrophobicContact CD2-CG2 3.99Å; L91-V94 WeakPolarHBondContact O-CB 3.48Å; L91-V94 PolarHBondContact O-N 3.25Å; L91-V110 HydrophobicContact CD1-CG1 4.09Å; L91-H113 HydrophobicContact CD2-CB 4.4Å; L91-M114 HydrophobicContact CD1-CG 3.69Å; L91-M114 HydrophobicContact CD1-SD 4.02Å; L91-M114 HydrophobicContact CD2-CG 3.63Å; L91-M114 HydrophobicContact CG-CG 4.23Å
92T94.1Very high95.8Very high121 Ų12180.2 Ų80.274%0.74241%0.407SS*.THydrogen-bonded Turntrans-58.6-24.4177.353.40000113.7V94T92-V94 VanDerWaalsContact C-N 3.33Å
93H94.6Very high95.7Very high110 Ų11082 Ų8251%0.50942%0.419SS..THydrogen-bonded Turntrans-80.4-12.8175.365.5-83000113.4R90 L91 G95 H113R90-H93 PolarHBondContact O-CE1 3.17Å; L91-H93 PolarHBondContact O-N 2.86Å; L91-H93 VanDerWaalsContact O-N 3.11Å; H93-G95 PolarHBondContact O-N 3.36Å; H93-H113 AromaticContact CD2-CE1 3.91Å; H93-H113 AromaticContact CD2-ND1 3.43Å; H93-H113 PolarHBondContact CD2-ND1 3.1Å; H93-H113 AromaticContact NE2-CG 3.6Å; H93-H113 AromaticContact NE2-ND1 3.11Å; H93-H113 PolarHBondContact NE2-ND1 3.34Å; H93-H113 VanDerWaalsContact NE2-ND1 3.11Å
94V96Very high95.7Very high1 Ų180.8 Ų80.81%0.00641%0.413CS..SBendtrans-88.8104-179.9-174.60000108.6Q86 L91 T92 R109 V110 H113Q86-V94 PolarHBondContact NE2-O 3.19Å; L91-V94 HydrophobicContact CB-CB 4.34Å; L91-V94 HydrophobicContact CB-CG2 4.08Å; L91-V94 HydrophobicContact CD2-CG2 3.99Å; L91-V94 WeakPolarHBondContact O-CB 3.48Å; L91-V94 PolarHBondContact O-N 3.25Å; T92-V94 VanDerWaalsContact C-N 3.33Å; V94-R109 VanDerWaalsContact CG1-NH1 3.34Å; V94-V110 HydrophobicContact CG1-CG2 3.99Å; V94-H113 HydrophobicContact CG2-CB 3.62Å
95G95.4Very high95.7Very high34 Ų3480.2 Ų80.235%0.35142%0.418SS..PPolyproline II helixtrans-59.3154.5178.200000113H93 R109H93-G95 PolarHBondContact O-N 3.36Å; G95-R109 PolarHBondContact O-NH1 3.32Å; G95-R109 PolarHBondContact O-NH2 3.3Å
96P96.4Very high95.8Very high81 Ų8180.7 Ų80.753%0.52642%0.42SS..PPolyproline II helixtrans-62.2164-178.228.1-36.3000111.9L98 R109P96-L98 PolarHBondContact O-N 3.18Å; P96-R109 PolarHBondContact O-NH2 2.89Å
97R96.6Very high95.9Very high125 Ų12576.7 Ų76.747%0.47240%0.401SS..PPolyproline II helixtrans-64.6127.9177.4-172.2175.973.890.21.9110.7E101 F106R97-E101 WeakPolarHBondContact CA-OE2 3.49Å; R97-E101 HydrophobicContact CG-CB 4.17Å; R97-E101 HydrophobicContact CG-CG 4.41Å; R97-E101 PolarHBondContact NH1-O 3.25Å; R97-F106 HydrophobicContact CB-CB 4.35Å; R97-F106 HydrophobicContact CB-CD1 3.97Å; R97-F106 HydrophobicContact CB-CD2 3.57Å; R97-F106 HydrophobicContact CB-CE1 4.13Å; R97-F106 HydrophobicContact CB-CE2 3.76Å; R97-F106 HydrophobicContact CB-CG 3.68Å; R97-F106 HydrophobicContact CB-CZ 4.03Å; R97-F106 HydrophobicContact CG-CB 3.77Å; R97-F106 HydrophobicContact CG-CD1 4.2Å; R97-F106 HydrophobicContact CG-CD2 3.88Å; R97-F106 HydrophobicContact CG-CG 3.67Å
98L95.8Very high96Very high108 Ų10874 Ų7457%0.56538%0.378SS*.PPolyproline II helixtrans-74.5152.1173.4-55.7177.7000110.8P96 S100 E101P96-L98 PolarHBondContact O-N 3.18Å; L98-S100 PolarHBondContact O-N 2.82Å; L98-E101 HydrophobicContact CB-CB 3.94Å; L98-E101 PolarHBondContact N-OE2 3.14Å; L98-E101 WeakPolarHBondContact O-CB 3.44Å; L98-E101 PolarHBondContact O-N 2.88Å
99R93.2Very high96.1Very high252 Ų25276.6 Ų76.695%0.95139%0.386SS*.THydrogen-bonded Turntrans-60.6-35.5178.4-70.5-176178.7174.90.1112.7E101R99-E101 VanDerWaalsContact C-N 3.33Å
100S95.2Very high96.3Very high114 Ų11465.6 Ų65.680%0.79735%0.345SS*.THydrogen-bonded Turntrans-78.4-14.2176.250.80000113.7L98L98-S100 PolarHBondContact O-N 2.82Å
101E96.2Very high96.5Very high33 Ų3359.8 Ų59.815%0.15432%0.323CS..SBendtrans-83.5120.7-176.8-175.2179.5-154.700110.1R97 L98 R99 A105 F106 R109R97-E101 WeakPolarHBondContact CA-OE2 3.49Å; R97-E101 HydrophobicContact CG-CB 4.17Å; R97-E101 HydrophobicContact CG-CG 4.41Å; R97-E101 PolarHBondContact NH1-O 3.25Å; L98-E101 HydrophobicContact CB-CB 3.94Å; L98-E101 PolarHBondContact N-OE2 3.14Å; L98-E101 WeakPolarHBondContact O-CB 3.44Å; L98-E101 PolarHBondContact O-N 2.88Å; R99-E101 VanDerWaalsContact C-N 3.33Å; E101-A105 HydrophobicContact CG-CB 4.39Å; E101-F106 HydrophobicContact CG-CB 4.07Å; E101-F106 WeakPolarHBondContact OE1-CA 3.44Å; E101-F106 WeakPolarHBondContact OE2-CD2 3.25Å; E101-R109 IonicContact OE1-CZ 3.52Å; E101-R109 IonicContact OE1-NE 3.84Å; E101-R109 PolarHBondContact OE1-NE 3.2Å; E101-R109 IonicContact OE1-NH2 3.52Å; E101-R109 PolarHBondContact OE1-NH2 3.46Å; E101-R109 IonicContact OE2-CZ 3.85Å; E101-R109 IonicContact OE2-NE 3.17Å; E101-R109 IonicContact OE2-NH2 3.59Å; E101-R109 PolarHBondContact OE2-NH2 2.91Å
102A96.1Very high96.6Very high62 Ų6259.8 Ų59.851%0.51232%0.323SS..  trans-57.6141.2174.700000110.5F104 A105 F106A102-F104 PolarHBondContact O-N 3.16Å; A102-A105 HydrophobicContact CB-CB 4.26Å; A102-A105 PolarHBondContact O-N 3.46Å; A102-A105 VanDerWaalsContact O-N 3.11Å; A102-F106 PolarHBondContact O-N 3.12Å
103S96.1Very high96.8Very high37 Ų3756.4 Ų56.426%0.25930%0.298SS..Hα-helixtrans-58.3-37.7-177.8-168.90000112.1V27 H107V27-S103 WeakPolarHBondContact CG2-OG 3.4Å; S103-H107 PolarHBondContact O-N 2.93Å; S103-H107 VanDerWaalsContact O-N 3.16Å; S103-H107 PolarHBondContact O-ND1 3.31Å
104F97.4Very high97Very high17 Ų1751.1 Ų51.18%0.07527%0.274CS..Hα-helixtrans-61.7-50.6174.3-177.6-116.2000112.6L15 Y17 V27 V63 A102 F106 H107 L108 W129 F134 H136L15-F104 HydrophobicContact CD2-CD2 3.75Å; L15-F104 HydrophobicContact CD2-CE2 3.64Å; Y17-F104 HydrophobicContact CD2-CB 4.12Å; Y17-F104 AromaticContact CD2-CD2 3.99Å; Y17-F104 HydrophobicContact CD2-CD2 3.99Å; Y17-F104 HydrophobicContact CD2-CG 4.03Å; Y17-F104 HydrophobicContact CE2-CB 4.03Å; Y17-F104 HydrophobicContact CE2-CG 4.19Å; V27-F104 HydrophobicContact CG1-CB 3.94Å; V27-F104 HydrophobicContact CG1-CD2 4.11Å; V63-F104 HydrophobicContact CG2-CE2 3.72Å; V63-F104 HydrophobicContact CG2-CZ 4.36Å; A102-F104 PolarHBondContact O-N 3.16Å; F104-F106 VanDerWaalsContact C-N 3.31Å; F104-F106 PolarHBondContact O-N 3.49Å; F104-H107 PolarHBondContact O-N 3.4Å; F104-H107 VanDerWaalsContact O-N 3.13Å; F104-L108 HydrophobicContact CD1-CD1 4.23Å; F104-L108 HydrophobicContact CE1-CD1 3.67Å; F104-L108 HydrophobicContact CE1-CG 4.36Å; F104-L108 HydrophobicContact CE2-CD1 4.37Å; F104-L108 HydrophobicContact CE2-CD2 4.19Å; F104-L108 HydrophobicContact CE2-CG 4.29Å; F104-L108 HydrophobicContact CZ-CD1 3.75Å; F104-L108 HydrophobicContact CZ-CD2 4.21Å; F104-L108 HydrophobicContact CZ-CG 4.16Å; F104-L108 WeakPolarHBondContact O-CG 3.24Å; F104-L108 PolarHBondContact O-N 3.1Å; F104-W129 HydrophobicContact CZ-CH2 4.43Å; F104-W129 HydrophobicContact CZ-CZ3 4.14Å; F104-F134 HydrophobicContact CE1-CD1 4.08Å; F104-F134 HydrophobicContact CE2-CD1 4.34Å; F104-F134 HydrophobicContact CZ-CB 4.21Å; F104-F134 AromaticContact CZ-CD1 3.86Å; F104-F134 HydrophobicContact CZ-CD1 3.86Å; F104-H136 AromaticContact CE1-CE1 3.69Å; F104-H136 AromaticContact CE1-ND1 3.78Å
105A97.4Very high97.1Very high45 Ų4551.1 Ų51.137%0.37227%0.274SS..Hα-helixtrans-58.7-41.8178.200000112.2E101 A102 H107 L108 R109E101-A105 HydrophobicContact CG-CB 4.39Å; A102-A105 HydrophobicContact CB-CB 4.26Å; A102-A105 PolarHBondContact O-N 3.46Å; A102-A105 VanDerWaalsContact O-N 3.11Å; A105-H107 PolarHBondContact O-N 3.25Å; A105-L108 PolarHBondContact O-N 3.05Å; A105-R109 PolarHBondContact O-N 3.44Å
106F97.9Very high97.1Very high17 Ų1755.8 Ų55.88%0.07528%0.281CS..Hα-helixtrans-57.8-46.5174.8176.3-111.8000112.6P85 R97 E101 A102 F104 L108 R109 V110P85-F106 HydrophobicContact CG-CE1 3.95Å; P85-F106 HydrophobicContact CG-CZ 3.73Å; R97-F106 HydrophobicContact CB-CB 4.35Å; R97-F106 HydrophobicContact CB-CD1 3.97Å; R97-F106 HydrophobicContact CB-CD2 3.57Å; R97-F106 HydrophobicContact CB-CE1 4.13Å; R97-F106 HydrophobicContact CB-CE2 3.76Å; R97-F106 HydrophobicContact CB-CG 3.68Å; R97-F106 HydrophobicContact CB-CZ 4.03Å; R97-F106 HydrophobicContact CG-CB 3.77Å; R97-F106 HydrophobicContact CG-CD1 4.2Å; R97-F106 HydrophobicContact CG-CD2 3.88Å; R97-F106 HydrophobicContact CG-CG 3.67Å; E101-F106 HydrophobicContact CG-CB 4.07Å; E101-F106 WeakPolarHBondContact OE1-CA 3.44Å; E101-F106 WeakPolarHBondContact OE2-CD2 3.25Å; A102-F106 PolarHBondContact O-N 3.12Å; F104-F106 VanDerWaalsContact C-N 3.31Å; F104-F106 PolarHBondContact O-N 3.49Å; F106-L108 VanDerWaalsContact C-N 3.34Å; F106-L108 PolarHBondContact O-N 3.22Å; F106-R109 PolarHBondContact O-N 3.37Å; F106-V110 HydrophobicContact CD1-CG2 4.38Å; F106-V110 HydrophobicContact CD2-CG2 4.32Å; F106-V110 HydrophobicContact CE1-CG2 3.96Å; F106-V110 HydrophobicContact CE2-CG2 3.89Å; F106-V110 HydrophobicContact CZ-CG2 3.7Å; F106-V110 VanDerWaalsContact O-CG2 3.31Å; F106-V110 WeakPolarHBondContact O-CG2 3.49Å; F106-V110 PolarHBondContact O-N 3.35Å
107H98.4Very high97Very high27 Ų2752.3 Ų52.313%0.12526%0.259CS..Hα-helixtrans-69.1-32.6-179.3-74.776.2000112.2L15 V27 W82 S103 F104 A105 L111L15-H107 HydrophobicContact CD1-CB 4.13Å; L15-H107 HydrophobicContact CD2-CB 4.23Å; V27-H107 VanDerWaalsContact CG2-CE1 3.44Å; V27-H107 WeakPolarHBondContact CG2-CE1 3.44Å; V27-H107 WeakPolarHBondContact CG2-ND1 3.48Å; W82-H107 HydrophobicContact CZ2-CB 4.47Å; W82-H107 AromaticContact NE1-CD2 3.87Å; W82-H107 PolarHBondContact NE1-O 3.44Å; S103-H107 PolarHBondContact O-N 2.93Å; S103-H107 VanDerWaalsContact O-N 3.16Å; S103-H107 PolarHBondContact O-ND1 3.31Å; F104-H107 PolarHBondContact O-N 3.4Å; F104-H107 VanDerWaalsContact O-N 3.13Å; A105-H107 PolarHBondContact O-N 3.25Å; H107-L111 VanDerWaalsContact O-CB 3.28Å; H107-L111 WeakPolarHBondContact O-CB 3.28Å; H107-L111 PolarHBondContact O-N 2.94Å
108L98.3Very high96.9Very high10 Ų1050.3 Ų50.35%0.05226%0.262CS..Hα-helixtrans-66.8-40.7172.2-64.7-172.7000112L15 L64 F104 A105 F106 L111 A112 W129 H136 L138L15-L108 HydrophobicContact CD2-CD2 4.26Å; L64-L108 HydrophobicContact CD2-CD2 3.55Å; F104-L108 HydrophobicContact CD1-CD1 4.23Å; F104-L108 HydrophobicContact CE1-CD1 3.67Å; F104-L108 HydrophobicContact CE1-CG 4.36Å; F104-L108 HydrophobicContact CE2-CD1 4.37Å; F104-L108 HydrophobicContact CE2-CD2 4.19Å; F104-L108 HydrophobicContact CE2-CG 4.29Å; F104-L108 HydrophobicContact CZ-CD1 3.75Å; F104-L108 HydrophobicContact CZ-CD2 4.21Å; F104-L108 HydrophobicContact CZ-CG 4.16Å; F104-L108 WeakPolarHBondContact O-CG 3.24Å; F104-L108 PolarHBondContact O-N 3.1Å; A105-L108 PolarHBondContact O-N 3.05Å; F106-L108 VanDerWaalsContact C-N 3.34Å; F106-L108 PolarHBondContact O-N 3.22Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 2.99Å; L108-A112 WeakPolarHBondContact O-CB 3.42Å; L108-A112 PolarHBondContact O-N 2.86Å; L108-W129 HydrophobicContact CD1-CH2 4.02Å; L108-W129 HydrophobicContact CD2-CH2 3.72Å; L108-W129 HydrophobicContact CD2-CZ2 4.46Å; L108-H136 HydrophobicContact CD1-CB 3.76Å; L108-L138 HydrophobicContact CB-CD2 3.95Å; L108-L138 HydrophobicContact CD2-CD2 4.37Å
109R98.1Very high96.7Very high61 Ų6148.4 Ų48.423%0.2326%0.256CS..Hα-helixtrans-60.7-48.2173.5179.3170.860.987.4-15111.3V94 G95 P96 E101 A105 F106 L111 A112 H113V94-R109 VanDerWaalsContact CG1-NH1 3.34Å; G95-R109 PolarHBondContact O-NH1 3.32Å; G95-R109 PolarHBondContact O-NH2 3.3Å; P96-R109 PolarHBondContact O-NH2 2.89Å; E101-R109 IonicContact OE1-CZ 3.52Å; E101-R109 IonicContact OE1-NE 3.84Å; E101-R109 PolarHBondContact OE1-NE 3.2Å; E101-R109 IonicContact OE1-NH2 3.52Å; E101-R109 PolarHBondContact OE1-NH2 3.46Å; E101-R109 IonicContact OE2-CZ 3.85Å; E101-R109 IonicContact OE2-NE 3.17Å; E101-R109 IonicContact OE2-NH2 3.59Å; E101-R109 PolarHBondContact OE2-NH2 2.91Å; A105-R109 PolarHBondContact O-N 3.44Å; F106-R109 PolarHBondContact O-N 3.37Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 2.78Å; R109-A112 WeakPolarHBondContact O-CB 3.43Å; R109-A112 PolarHBondContact O-N 2.96Å; R109-H113 PolarHBondContact O-CD2 2.83Å; R109-H113 VanDerWaalsContact O-CD2 3.22Å; R109-H113 PolarHBondContact O-N 3.28Å
110V98.5Very high96.8Very high0 Ų036.8 Ų36.80%021%0.212CC..Hα-helixtrans-57.9-47.7175.8173.80000110.8P85 L91 V94 F106 A112 H113 M114P85-V110 HydrophobicContact CB-CG1 3.89Å; P85-V110 HydrophobicContact CB-CG2 3.97Å; P85-V110 HydrophobicContact CG-CG1 4.43Å; P85-V110 HydrophobicContact CG-CG2 4.02Å; L91-V110 HydrophobicContact CD1-CG1 4.09Å; V94-V110 HydrophobicContact CG1-CG2 3.99Å; F106-V110 HydrophobicContact CD1-CG2 4.38Å; F106-V110 HydrophobicContact CD2-CG2 4.32Å; F106-V110 HydrophobicContact CE1-CG2 3.96Å; F106-V110 HydrophobicContact CE2-CG2 3.89Å; F106-V110 HydrophobicContact CZ-CG2 3.7Å; F106-V110 VanDerWaalsContact O-CG2 3.31Å; F106-V110 WeakPolarHBondContact O-CG2 3.49Å; F106-V110 PolarHBondContact O-N 3.35Å; V110-A112 PolarHBondContact O-N 3.36Å; V110-H113 PolarHBondContact O-N 3.24Å; V110-M114 HydrophobicContact CG1-CG 4.25Å; V110-M114 HydrophobicContact CG1-SD 3.81Å; V110-M114 WeakPolarHBondContact O-CG 3.28Å; V110-M114 PolarHBondContact O-N 2.95Å
111L98.6Very high96.8Very high0 Ų033.1 Ų33.10%019%0.185CC..Hα-helixtrans-56.4-48.7177.3175.961.8000111.4L64 L66 F78 W82 H107 L108 R109 H113 M114 L115 L127 L138L64-L111 HydrophobicContact CD1-CD2 4.12Å; L64-L111 HydrophobicContact CD2-CD2 4.11Å; L66-L111 HydrophobicContact CD2-CD1 4.3Å; F78-L111 HydrophobicContact CE1-CD1 4.05Å; F78-L111 HydrophobicContact CZ-CD1 3.72Å; W82-L111 HydrophobicContact CH2-CD1 4.28Å; W82-L111 HydrophobicContact CH2-CD2 3.98Å; W82-L111 HydrophobicContact CZ2-CB 3.86Å; W82-L111 HydrophobicContact CZ2-CD1 4.29Å; W82-L111 HydrophobicContact CZ2-CD2 3.89Å; W82-L111 HydrophobicContact CZ2-CG 4.24Å; H107-L111 VanDerWaalsContact O-CB 3.28Å; H107-L111 WeakPolarHBondContact O-CB 3.28Å; H107-L111 PolarHBondContact O-N 2.94Å; L108-L111 WeakPolarHBondContact O-CB 3.49Å; L108-L111 PolarHBondContact O-N 2.99Å; R109-L111 VanDerWaalsContact C-N 3.34Å; R109-L111 PolarHBondContact O-N 2.78Å; L111-H113 VanDerWaalsContact C-N 3.26Å; L111-H113 PolarHBondContact O-N 2.8Å; L111-M114 WeakPolarHBondContact O-CB 3.49Å; L111-M114 PolarHBondContact O-N 3.35Å; L111-L115 HydrophobicContact CD1-CD1 4.35Å; L111-L115 HydrophobicContact CD1-CD2 4Å; L111-L115 HydrophobicContact CD1-CG 4.1Å; L111-L115 HydrophobicContact CG-CD1 4.28Å; L111-L115 HydrophobicContact CG-CG 4.43Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 3.38Å; L111-L127 HydrophobicContact CD2-CD1 4Å; L111-L138 HydrophobicContact CD2-CD1 4.35Å; L111-L138 HydrophobicContact CG-CD1 4.43Å
112A98.3Very high96.6Very high0 Ų033 Ų330%018%0.183CC..Hα-helixtrans-54.4-42.7179.200000112.4L108 R109 V110 L138 S139L108-A112 WeakPolarHBondContact O-CB 3.42Å; L108-A112 PolarHBondContact O-N 2.86Å; R109-A112 WeakPolarHBondContact O-CB 3.43Å; R109-A112 PolarHBondContact O-N 2.96Å; V110-A112 PolarHBondContact O-N 3.36Å; A112-L138 HydrophobicContact CB-CB 3.96Å; A112-L138 HydrophobicContact CB-CD2 4.45Å; A112-S139 WeakPolarHBondContact CB-O 3.49Å
113H98.3Very high96.5Very high50 Ų5030.9 Ų30.923%0.23116%0.163CC..Hα-helixtrans-69.9-40.1174.8-77-77.3000112.9L91 H93 V94 R109 V110 L111 L115 R116 A117L91-H113 HydrophobicContact CD2-CB 4.4Å; H93-H113 AromaticContact CD2-CE1 3.91Å; H93-H113 AromaticContact CD2-ND1 3.43Å; H93-H113 PolarHBondContact CD2-ND1 3.1Å; H93-H113 AromaticContact NE2-CG 3.6Å; H93-H113 AromaticContact NE2-ND1 3.11Å; H93-H113 PolarHBondContact NE2-ND1 3.34Å; H93-H113 VanDerWaalsContact NE2-ND1 3.11Å; V94-H113 HydrophobicContact CG2-CB 3.62Å; R109-H113 PolarHBondContact O-CD2 2.83Å; R109-H113 VanDerWaalsContact O-CD2 3.22Å; R109-H113 PolarHBondContact O-N 3.28Å; V110-H113 PolarHBondContact O-N 3.24Å; L111-H113 VanDerWaalsContact C-N 3.26Å; L111-H113 PolarHBondContact O-N 2.8Å; H113-L115 PolarHBondContact O-N 3.15Å; H113-R116 PolarHBondContact O-N 3.19Å; H113-R116 VanDerWaalsContact O-N 3.14Å; H113-A117 PolarHBondContact O-N 2.95Å
114M98.3Very high96.2Very high0 Ų031.2 Ų31.20%016%0.164CC..Hα-helixtrans-61.1-40.7178.1-73.6177.973.500112.8F78 A81 W82 L91 V110 L111 R116 A117 W120F78-M114 HydrophobicContact CD1-CE 3.59Å; F78-M114 HydrophobicContact CD2-CE 3.75Å; F78-M114 HydrophobicContact CE1-CE 3.52Å; F78-M114 HydrophobicContact CE1-SD 4.16Å; F78-M114 HydrophobicContact CE2-CB 3.98Å; F78-M114 HydrophobicContact CE2-CE 3.7Å; F78-M114 HydrophobicContact CG-CE 3.69Å; F78-M114 HydrophobicContact CZ-CB 3.85Å; F78-M114 HydrophobicContact CZ-CE 3.57Å; F78-M114 HydrophobicContact CZ-SD 4.14Å; F78-M114 WeakPolarHBondContact O-CE 3.45Å; A81-M114 HydrophobicContact CB-CE 3.83Å; W82-M114 HydrophobicContact CB-CE 3.96Å; W82-M114 HydrophobicContact CB-SD 3.62Å; W82-M114 HydrophobicContact CG-SD 3.94Å; L91-M114 HydrophobicContact CD1-CG 3.69Å; L91-M114 HydrophobicContact CD1-SD 4.02Å; L91-M114 HydrophobicContact CD2-CG 3.63Å; L91-M114 HydrophobicContact CG-CG 4.23Å; V110-M114 HydrophobicContact CG1-CG 4.25Å; V110-M114 HydrophobicContact CG1-SD 3.81Å; V110-M114 WeakPolarHBondContact O-CG 3.28Å; V110-M114 PolarHBondContact O-N 2.95Å; L111-M114 WeakPolarHBondContact O-CB 3.49Å; L111-M114 PolarHBondContact O-N 3.35Å; M114-R116 PolarHBondContact O-N 3.41Å; M114-A117 PolarHBondContact O-N 2.83Å; M114-W120 HydrophobicContact CB-CE3 4.18Å; M114-W120 HydrophobicContact CB-CZ3 4.23Å; M114-W120 HydrophobicContact CE-CE3 4.42Å; M114-W120 HydrophobicContact CE-CH2 3.8Å; M114-W120 HydrophobicContact CE-CZ2 4.05Å; M114-W120 HydrophobicContact CE-CZ3 4.01Å; M114-W120 HydrophobicContact CG-CE3 4.5Å; M114-W120 HydrophobicContact CG-CZ3 4.05Å
115L97.8Very high96.1Very high0 Ų030.4 Ų30.40%016%0.161CC..THydrogen-bonded Turntrans-62.9-16.1178.6-58.8174.3000112.9L66 F78 L111 H113 L127 L138 P142 P143 M146L66-L115 HydrophobicContact CD1-CD2 3.79Å; L66-L115 HydrophobicContact CD2-CD2 3.64Å; L66-L115 HydrophobicContact CG-CD2 4.41Å; F78-L115 HydrophobicContact CE2-CD2 4.45Å; F78-L115 HydrophobicContact CZ-CD2 4.29Å; L111-L115 HydrophobicContact CD1-CD1 4.35Å; L111-L115 HydrophobicContact CD1-CD2 4Å; L111-L115 HydrophobicContact CD1-CG 4.1Å; L111-L115 HydrophobicContact CG-CD1 4.28Å; L111-L115 HydrophobicContact CG-CG 4.43Å; L111-L115 WeakPolarHBondContact O-CG 3.47Å; L111-L115 PolarHBondContact O-N 3.38Å; H113-L115 PolarHBondContact O-N 3.15Å; L115-L127 HydrophobicContact CD1-CD2 4.45Å; L115-L138 HydrophobicContact CD1-CD1 3.95Å; L115-P142 HydrophobicContact CD1-CB 4.06Å; L115-P142 HydrophobicContact CD1-CG 3.85Å; L115-P143 WeakPolarHBondContact O-CD 3.39Å; L115-P143 VanDerWaalsContact O-CG 3.27Å; L115-P143 WeakPolarHBondContact O-CG 3.41Å; L115-M146 HydrophobicContact CB-SD 3.94Å; L115-M146 HydrophobicContact CD1-SD 4.33Å; L115-M146 HydrophobicContact CD2-CE 4.48Å; L115-M146 HydrophobicContact CD2-SD 3.42Å; L115-M146 WeakPolarHBondContact CD2-SD 3.01Å; L115-M146 HydrophobicContact CG-SD 4.05Å
116R96.1Very high96Very high133 Ų13329.5 Ų29.550%0.50215%0.151SC..THydrogen-bonded Turntrans-109.70.9177.5-56.7-168.979.6129.8-4.7113.9H113 M114 P140 A141 P143H113-R116 PolarHBondContact O-N 3.19Å; H113-R116 VanDerWaalsContact O-N 3.14Å; M114-R116 PolarHBondContact O-N 3.41Å; R116-P140 VanDerWaalsContact CD-CG 3.46Å; R116-P140 HydrophobicContact CG-CG 4.32Å; R116-A141 PolarHBondContact NH1-O 3.38Å; R116-P143 HydrophobicContact CG-CG 4.37Å
117A95.4Very high96Very high7 Ų728.7 Ų28.76%0.05815%0.147CC..SBendtrans-96.3139.8179.600000111.2H113 M114 W120 V121H113-A117 PolarHBondContact O-N 2.95Å; M114-A117 PolarHBondContact O-N 2.83Å; A117-W120 HydrophobicContact CB-CE3 3.97Å; A117-W120 HydrophobicContact CB-CZ3 4.09Å; A117-W120 PolarHBondContact O-N 3.25Å; A117-V121 PolarHBondContact O-N 2.89Å
118P92.6Very high95.9Very high84 Ų8429.2 Ų29.255%0.54515%0.148SC..THydrogen-bonded Turntrans-60.4147168.5-23.133.9000111.2R90 W120 V121R90-P118 VanDerWaalsContact CD-O 3.23Å; R90-P118 WeakPolarHBondContact CD-O 3.3Å; R90-P118 VanDerWaalsContact NH1-C 3.28Å; R90-P118 PolarHBondContact NH1-O 3.35Å; P118-W120 VanDerWaalsContact C-N 3.33Å; P118-V121 HydrophobicContact CG-CG1 4.37Å
119P91.9Very high95.9Very high67 Ų6728.8 Ų28.844%0.43515%0.146SC..THydrogen-bonded Turncis-85.8-3.3-1.437.9-34.5000112.7R90 V121 R122R90-P119 VanDerWaalsContact CZ-CD 3.45Å; P119-V121 VanDerWaalsContact C-N 3.32Å; P119-V121 PolarHBondContact O-N 3.14Å; P119-R122 PolarHBondContact O-N 2.86Å
120W95.3Very high95.8Very high8 Ų827.7 Ų27.73%0.0314%0.144CC..G310 helixtrans-69.6-28-168-50.2-59000113.8F78 A81 R90 M114 A117 P118 R122 L123F78-W120 HydrophobicContact CD2-CB 4.28Å; F78-W120 AromaticContact CD2-CD1 3.56Å; F78-W120 AromaticContact CD2-CD2 3.8Å; F78-W120 HydrophobicContact CD2-CD2 3.8Å; F78-W120 AromaticContact CD2-CE2 3.78Å; F78-W120 AromaticContact CD2-CG 3.64Å; F78-W120 HydrophobicContact CD2-CG 3.64Å; F78-W120 AromaticContact CD2-NE1 3.61Å; F78-W120 HydrophobicContact CE2-CB 4.26Å; F78-W120 HydrophobicContact CE2-CD2 4.16Å; F78-W120 HydrophobicContact CE2-CG 4.02Å; A81-W120 HydrophobicContact CB-CH2 3.56Å; A81-W120 HydrophobicContact CB-CZ2 3.85Å; R90-W120 HydrophobicContact CB-CH2 4.14Å; R90-W120 HydrophobicContact CB-CZ3 4.04Å; R90-W120 HydrophobicContact CG-CH2 4.48Å; M114-W120 HydrophobicContact CB-CE3 4.18Å; M114-W120 HydrophobicContact CB-CZ3 4.23Å; M114-W120 HydrophobicContact CE-CE3 4.42Å; M114-W120 HydrophobicContact CE-CH2 3.8Å; M114-W120 HydrophobicContact CE-CZ2 4.05Å; M114-W120 HydrophobicContact CE-CZ3 4.01Å; M114-W120 HydrophobicContact CG-CE3 4.5Å; M114-W120 HydrophobicContact CG-CZ3 4.05Å; A117-W120 HydrophobicContact CB-CE3 3.97Å; A117-W120 HydrophobicContact CB-CZ3 4.09Å; A117-W120 PolarHBondContact O-N 3.25Å; P118-W120 VanDerWaalsContact C-N 3.33Å; W120-R122 PolarHBondContact O-N 2.81Å; W120-L123 WeakPolarHBondContact O-CB 3.4Å; W120-L123 PolarHBondContact O-N 2.85Å
121V95.1Very high95.7Very high37 Ų3732 Ų3222%0.22416%0.16CC..G310 helixtrans-61-10.5178.471.40000114.7A117 P118 P119 P143 H145A117-V121 PolarHBondContact O-N 2.89Å; P118-V121 HydrophobicContact CG-CG1 4.37Å; P119-V121 VanDerWaalsContact C-N 3.32Å; P119-V121 PolarHBondContact O-N 3.14Å; V121-P143 HydrophobicContact CG2-CG 3.99Å; V121-H145 PolarHBondContact O-CE1 2.9Å; V121-H145 PolarHBondContact O-NE2 3.04Å
122R93.4Very high95.4Very high31 Ų3136 Ų3612%0.11719%0.186CC..G310 helixtrans-117.910.6174.6-55.4-172.673.5103.1-7.3114P119 W120 E219 L224 L226P119-R122 PolarHBondContact O-N 2.86Å; W120-R122 PolarHBondContact O-N 2.81Å; R122-E219 IonicContact CZ-OE1 3.15Å; R122-E219 IonicContact CZ-OE2 3.91Å; R122-E219 IonicContact NH1-OE1 2.8Å; R122-E219 PolarHBondContact NH1-OE1 3.48Å; R122-E219 IonicContact NH1-OE2 2.74Å; R122-E219 IonicContact NH2-OE1 3.96Å; R122-E219 IonicContact NH2-OE2 3.77Å; R122-E219 PolarHBondContact NH2-OE2 2.71Å; R122-L224 HydrophobicContact CB-CB 4.4Å; R122-L224 PolarHBondContact NE-O 3.03Å; R122-L224 PolarHBondContact NH2-O 2.94Å; R122-L226 HydrophobicContact CB-CD2 3.89Å; R122-L226 HydrophobicContact CG-CD2 4Å; R122-L226 HydrophobicContact CG-CG 4.27Å
123L92.4Very high95.3Very high17 Ų1740.8 Ų40.89%0.08921%0.212CC..SBendtrans-86.8145.1174.6-63.4-177.3000110F69 P70 W120 L125 L224F69-L123 HydrophobicContact CD1-CD1 4.32Å; P70-L123 HydrophobicContact CG-CD2 4.11Å; W120-L123 WeakPolarHBondContact O-CB 3.4Å; W120-L123 PolarHBondContact O-N 2.85Å; L123-L125 HydrophobicContact CB-CD1 4.09Å; L123-L125 HydrophobicContact CB-CD2 3.91Å; L123-L125 HydrophobicContact CB-CG 3.67Å; L123-L125 HydrophobicContact CD1-CD1 4.45Å; L123-L125 HydrophobicContact CD1-CD2 4.38Å; L123-L125 PolarHBondContact O-N 3.29Å; L123-L224 HydrophobicContact CD2-CD1 4.4Å
124P91.3Very high95.1Very high45 Ų4539.4 Ų39.429%0.29221%0.205SC..  trans-79.254.5-179.637.2-39.5000111.6G240 I243P124-G240 VanDerWaalsContact CB-CA 3.48Å; P124-I243 HydrophobicContact CG-CD1 4.4Å
125L94.1Very high95Very high0 Ų042.9 Ų42.90%022%0.222CC..  trans-77.5155-175.5-50.3175000110.8L66 H67 F69 L123 M146 P147L66-L125 HydrophobicContact CD1-CB 3.84Å; L66-L125 HydrophobicContact CD1-CD1 4.47Å; L66-L125 HydrophobicContact CD2-CD1 3.86Å; L66-L125 HydrophobicContact CG-CB 4.17Å; L66-L125 HydrophobicContact CG-CD1 4.22Å; H67-L125 CarbonylContact O-C 3.5Å; H67-L125 VanDerWaalsContact O-CA 3.24Å; H67-L125 WeakPolarHBondContact O-CA 3.45Å; F69-L125 HydrophobicContact CB-CD2 4.48Å; F69-L125 HydrophobicContact CD1-CD2 3.68Å; F69-L125 HydrophobicContact CD2-CD2 4.08Å; F69-L125 HydrophobicContact CE1-CD1 4.02Å; F69-L125 HydrophobicContact CE1-CD2 3.82Å; F69-L125 HydrophobicContact CE2-CD2 4.21Å; F69-L125 HydrophobicContact CG-CD2 3.82Å; F69-L125 HydrophobicContact CZ-CD1 4.19Å; F69-L125 HydrophobicContact CZ-CD2 4.1Å; L123-L125 HydrophobicContact CB-CD1 4.09Å; L123-L125 HydrophobicContact CB-CD2 3.91Å; L123-L125 HydrophobicContact CB-CG 3.67Å; L123-L125 HydrophobicContact CD1-CD1 4.45Å; L123-L125 HydrophobicContact CD1-CD2 4.38Å; L123-L125 PolarHBondContact O-N 3.29Å; L125-M146 HydrophobicContact CB-CE 3.78Å; L125-M146 HydrophobicContact CB-CG 3.89Å; L125-M146 HydrophobicContact CB-SD 3.86Å; L125-M146 HydrophobicContact CD1-CE 3.84Å; L125-M146 HydrophobicContact CD1-SD 4.38Å; L125-M146 HydrophobicContact CG-CE 3.95Å; L125-M146 WeakPolarHBondContact O-CA 3.42Å; L125-M146 WeakPolarHBondContact O-CG 3.24Å; L125-P147 WeakPolarHBondContact O-CD 3.42Å
126T95.3Very high94.8Very high26 Ų2647.4 Ų47.416%0.1624%0.242CC..EExtended strand (participates in β ladder)trans-125.7121.9171.4-63.80000108.4L66 H67 P147 A149L66-T126 WeakPolarHBondContact CA-O 3.1Å; H67-T126 VanDerWaalsContact CE1-CB 3.49Å; H67-T126 WeakPolarHBondContact CE1-CB 3.28Å; H67-T126 PolarHBondContact N-O 3.22Å; H67-T126 PolarHBondContact O-N 3.23Å; T126-P147 HydrophobicContact CG2-CG 4.16Å; T126-A149 HydrophobicContact CG2-CB 3.94Å
127L97.6Very high94.8Very high0 Ų049.7 Ų49.70%026%0.259CS..EExtended strand (participates in β ladder)trans-86116172.7175.362000108.7L64 L66 L111 L115 L138 P147 I148 A149L64-L127 HydrophobicContact CD1-CD1 3.75Å; L64-L127 HydrophobicContact CD2-CD1 4.46Å; L64-L127 HydrophobicContact CG-CD1 4.46Å; L66-L127 HydrophobicContact CD1-CB 4.05Å; L66-L127 HydrophobicContact CD1-CD1 4.47Å; L111-L127 HydrophobicContact CD2-CD1 4Å; L115-L127 HydrophobicContact CD1-CD2 4.45Å; L127-L138 HydrophobicContact CD2-CD1 3.45Å; L127-L138 VanDerWaalsContact CD2-CD1 3.45Å; L127-L138 HydrophobicContact CD2-CG 4.43Å; L127-P147 PolarHBondContact N-O 3.22Å; L127-I148 HydrophobicContact CD2-CG1 4.49Å; L127-I148 CarbonylContact O-C 3.27Å; L127-I148 VanDerWaalsContact O-CA 3.28Å; L127-I148 WeakPolarHBondContact O-CA 3.3Å; L127-A149 PolarHBondContact O-N 3.11Å
128R97.6Very high94.8Very high38 Ų3850.2 Ų50.214%0.14326%0.261CS..EExtended strand (participates in β ladder)trans-117.2119.6-176.1-179.3176-72.8-79.5-2.3111.7L64 I65 H67 L130 A149 F150 G151 P152L64-R128 CarbonylContact C-O 3.58Å; L64-R128 WeakPolarHBondContact CA-O 3.34Å; I65-R128 HydrophobicContact CG2-CB 3.97Å; I65-R128 HydrophobicContact CG2-CG 4.35Å; I65-R128 PolarHBondContact N-O 2.81Å; I65-R128 WeakPolarHBondContact O-CB 3.33Å; I65-R128 PolarHBondContact O-N 2.99Å; H67-R128 PolarHBondContact NE2-NE 2.77Å; H67-R128 VanDerWaalsContact NE2-NE 3.18Å; R128-L130 HydrophobicContact CG-CD2 3.94Å; R128-A149 CarbonylContact C-O 3.54Å; R128-A149 VanDerWaalsContact CA-O 3.3Å; R128-A149 WeakPolarHBondContact CA-O 3.35Å; R128-A149 HydrophobicContact CB-CB 4.4Å; R128-A149 HydrophobicContact CG-CB 4.37Å; R128-F150 PolarHBondContact NH1-O 3.13Å; R128-G151 VanDerWaalsContact CD-O 3.24Å; R128-G151 WeakPolarHBondContact CD-O 3.45Å; R128-G151 WeakPolarHBondContact CG-O 3.42Å; R128-G151 PolarHBondContact NH1-O 3.16Å; R128-P152 PolarHBondContact NH1-O 3.4Å; R128-P152 VanDerWaalsContact NH1-O 3.11Å
129W98Very high94.9Very high0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans-84.4114.5171.3-66.896.3000110L64 F104 L108 F134 H135 A149 F150 G151L64-W129 HydrophobicContact CB-CD2 4.11Å; L64-W129 HydrophobicContact CB-CE3 3.75Å; L64-W129 HydrophobicContact CB-CZ3 4.07Å; L64-W129 HydrophobicContact CD2-CE3 4.11Å; L64-W129 HydrophobicContact CD2-CH2 3.58Å; L64-W129 HydrophobicContact CD2-CZ2 4.08Å; L64-W129 HydrophobicContact CD2-CZ3 3.58Å; L64-W129 HydrophobicContact CG-CZ3 4.42Å; F104-W129 HydrophobicContact CZ-CH2 4.43Å; F104-W129 HydrophobicContact CZ-CZ3 4.14Å; L108-W129 HydrophobicContact CD1-CH2 4.02Å; L108-W129 HydrophobicContact CD2-CH2 3.72Å; L108-W129 HydrophobicContact CD2-CZ2 4.46Å; W129-F134 HydrophobicContact CE3-CB 4.42Å; W129-F134 WeakPolarHBondContact CH2-O 3.25Å; W129-F134 HydrophobicContact CZ3-CB 4.21Å; W129-F134 WeakPolarHBondContact CZ3-O 3.36Å; W129-H135 AromaticContact CD1-CD2 3.65Å; W129-H135 HydrophobicContact CD2-CB 4.42Å; W129-H135 AromaticContact CE2-CD2 3.79Å; W129-H135 AromaticContact NE1-CD2 3.45Å; W129-H135 PolarHBondContact NE1-CD2 3.27Å; W129-A149 PolarHBondContact N-O 2.89Å; W129-F150 HydrophobicContact CB-CD1 3.71Å; W129-F150 HydrophobicContact CB-CE1 3.87Å; W129-F150 HydrophobicContact CG-CD1 4.43Å; W129-F150 HydrophobicContact CG-CE1 4.12Å; W129-F150 CarbonylContact O-C 3.52Å; W129-F150 WeakPolarHBondContact O-CA 3.34Å; W129-G151 PolarHBondContact O-N 3.44Å
130L96.8Very high95.1Very high38 Ų3849.6 Ų49.620%0.19926%0.259CS..SBendtrans-84.3-23.8177.8-56.2-176.1000111.6M62 V63 I65 R128 G151M62-L130 HydrophobicContact CB-CD1 3.94Å; M62-L130 HydrophobicContact CG-CD1 3.63Å; M62-L130 WeakPolarHBondContact O-CB 3.36Å; M62-L130 HydrophobicContact SD-CD1 3.52Å; M62-L130 VanDerWaalsContact SD-CD1 3.52Å; V63-L130 PolarHBondContact O-N 3.32Å; I65-L130 HydrophobicContact CG2-CD1 4.15Å; I65-L130 HydrophobicContact CG2-CD2 3.98Å; I65-L130 HydrophobicContact CG2-CG 4.13Å; R128-L130 HydrophobicContact CG-CD2 3.94Å; L130-G151 WeakPolarHBondContact CD2-O 3.45Å
131R96.2Very high95.2Very high91 Ų9151.9 Ų51.934%0.34328%0.28SS..  trans-121.399.6178.3-69.9-62.6-58.7-126.8-4.6109.3D61 V63 D133 F134D61-R131 IonicContact OD2-CZ 3.04Å; D61-R131 IonicContact OD2-NH1 3.54Å; V63-R131 HydrophobicContact CB-CB 4.43Å; V63-R131 HydrophobicContact CG1-CB 4.39Å; V63-R131 HydrophobicContact CG1-CG 4.37Å; V63-R131 PolarHBondContact O-N 3.47Å; R131-D133 WeakPolarHBondContact CB-OD1 3.32Å; R131-D133 IonicContact CZ-OD1 3.31Å; R131-D133 IonicContact CZ-OD2 3.95Å; R131-D133 IonicContact NE-OD1 2.86Å; R131-D133 PolarHBondContact NE-OD1 3.28Å; R131-D133 IonicContact NE-OD2 3.44Å; R131-D133 IonicContact NH2-OD1 3.87Å; R131-D133 IonicContact NH2-OD2 3.51Å; R131-D133 PolarHBondContact NH2-OD2 2.98Å; R131-D133 PolarHBondContact O-N 3.35Å; R131-F134 HydrophobicContact CB-CB 4.3Å; R131-F134 HydrophobicContact CB-CD2 3.71Å; R131-F134 HydrophobicContact CB-CG 4.37Å; R131-F134 HydrophobicContact CG-CD2 4.46Å; R131-F134 WeakPolarHBondContact O-CB 3.49Å; R131-F134 PolarHBondContact O-N 3.05Å
132P92.4Very high95.2Very high84 Ų8451.1 Ų51.155%0.54528%0.275SS..G310 helixtrans-59.3-29.8-177.4-25.234.6000113.5F134 H135P132-F134 PolarHBondContact O-N 3.45Å; P132-H135 WeakPolarHBondContact O-CB 3.38Å; P132-H135 PolarHBondContact O-N 2.97Å; P132-H135 VanDerWaalsContact O-N 3.07Å
133D94.9Very high95.3Very high100 Ų10050.4 Ų50.454%0.53528%0.275SS..G310 helixtrans-63.1-15.9174.250.1-41.9000114R131R131-D133 WeakPolarHBondContact CB-OD1 3.32Å; R131-D133 IonicContact CZ-OD1 3.31Å; R131-D133 IonicContact CZ-OD2 3.95Å; R131-D133 IonicContact NE-OD1 2.86Å; R131-D133 PolarHBondContact NE-OD1 3.28Å; R131-D133 IonicContact NE-OD2 3.44Å; R131-D133 IonicContact NH2-OD1 3.87Å; R131-D133 IonicContact NH2-OD2 3.51Å; R131-D133 PolarHBondContact NH2-OD2 2.98Å; R131-D133 PolarHBondContact O-N 3.35Å
134F95.6Very high95.2Very high21 Ų2158.3 Ų58.39%0.09232%0.316CS..G310 helixtrans-101.5-0.6175.1-77.7-97.8000113.6Y17 Q19 V63 F104 W129 R131 P132 H136Y17-F134 AromaticContact CD1-CE1 3.53Å; Y17-F134 HydrophobicContact CD1-CE1 3.53Å; Y17-F134 AromaticContact CD1-CZ 3.61Å; Y17-F134 HydrophobicContact CD1-CZ 3.61Å; Y17-F134 HydrophobicContact CD2-CD1 4.32Å; Y17-F134 AromaticContact CD2-CE1 3.61Å; Y17-F134 HydrophobicContact CD2-CE1 3.61Å; Y17-F134 AromaticContact CE1-CE1 3.83Å; Y17-F134 HydrophobicContact CE1-CE1 3.83Å; Y17-F134 AromaticContact CE1-CZ 3.93Å; Y17-F134 HydrophobicContact CE1-CZ 3.93Å; Y17-F134 AromaticContact CE2-CE1 3.86Å; Y17-F134 HydrophobicContact CE2-CE1 3.86Å; Y17-F134 HydrophobicContact CG-CD1 4.32Å; Y17-F134 AromaticContact CG-CE1 3.41Å; Y17-F134 HydrophobicContact CG-CE1 3.41Å; Y17-F134 VanDerWaalsContact CG-CE1 3.41Å; Y17-F134 AromaticContact CG-CZ 3.94Å; Y17-F134 HydrophobicContact CG-CZ 3.94Å; Y17-F134 AromaticContact CZ-CE1 3.97Å; Q19-F134 VanDerWaalsContact NE2-CZ 3.31Å; V63-F134 HydrophobicContact CB-CB 3.97Å; V63-F134 HydrophobicContact CB-CD1 4.18Å; V63-F134 HydrophobicContact CB-CD2 4.46Å; V63-F134 HydrophobicContact CB-CG 3.94Å; V63-F134 HydrophobicContact CG1-CB 4.18Å; V63-F134 HydrophobicContact CG1-CD1 3.66Å; V63-F134 HydrophobicContact CG1-CD2 3.8Å; V63-F134 HydrophobicContact CG1-CE1 3.92Å; V63-F134 HydrophobicContact CG1-CE2 4.04Å; V63-F134 HydrophobicContact CG1-CG 3.58Å; V63-F134 HydrophobicContact CG1-CZ 4.09Å; F104-F134 HydrophobicContact CE1-CD1 4.08Å; F104-F134 HydrophobicContact CE2-CD1 4.34Å; F104-F134 HydrophobicContact CZ-CB 4.21Å; F104-F134 AromaticContact CZ-CD1 3.86Å; F104-F134 HydrophobicContact CZ-CD1 3.86Å; W129-F134 HydrophobicContact CE3-CB 4.42Å; W129-F134 WeakPolarHBondContact CH2-O 3.25Å; W129-F134 HydrophobicContact CZ3-CB 4.21Å; W129-F134 WeakPolarHBondContact CZ3-O 3.36Å; R131-F134 HydrophobicContact CB-CB 4.3Å; R131-F134 HydrophobicContact CB-CD2 3.71Å; R131-F134 HydrophobicContact CB-CG 4.37Å; R131-F134 HydrophobicContact CG-CD2 4.46Å; R131-F134 WeakPolarHBondContact O-CB 3.49Å; R131-F134 PolarHBondContact O-N 3.05Å; P132-F134 PolarHBondContact O-N 3.45Å; F134-H136 PolarHBondContact O-CE1 2.79Å; F134-H136 PolarHBondContact O-N 2.82Å; F134-H136 PolarHBondContact O-ND1 3.34Å
135H95.6Very high95.2Very high74 Ų7457.5 Ų57.534%0.34331%0.308SS..  trans-60129.6-179.1174.2-108000111.3W129 P132 F150W129-H135 AromaticContact CD1-CD2 3.65Å; W129-H135 HydrophobicContact CD2-CB 4.42Å; W129-H135 AromaticContact CE2-CD2 3.79Å; W129-H135 AromaticContact NE1-CD2 3.45Å; W129-H135 PolarHBondContact NE1-CD2 3.27Å; P132-H135 WeakPolarHBondContact O-CB 3.38Å; P132-H135 PolarHBondContact O-N 2.97Å; P132-H135 VanDerWaalsContact O-N 3.07Å; H135-F150 HydrophobicContact CB-CE1 4.13Å; H135-F150 AromaticContact CD2-CE1 3.73Å; H135-F150 AromaticContact CD2-CZ 3.67Å; H135-F150 AromaticContact CG-CE1 3.92Å; H135-F150 AromaticContact NE2-CZ 3.9Å
136H94Very high95.2Very high94 Ų9457.7 Ų57.744%0.43531%0.309SS..  trans-133.3142.9170.9-67.461.2000108.6F104 L108 F134 L138F104-H136 AromaticContact CE1-CE1 3.69Å; F104-H136 AromaticContact CE1-ND1 3.78Å; L108-H136 HydrophobicContact CD1-CB 3.76Å; F134-H136 PolarHBondContact O-CE1 2.79Å; F134-H136 PolarHBondContact O-N 2.82Å; F134-H136 PolarHBondContact O-ND1 3.34Å; H136-L138 PolarHBondContact O-N 2.9Å
137E94.9Very high95.1Very high182 Ų18259.6 Ų59.685%0.8532%0.322SS*.  trans-65.2126168.6-67.7-177.7-178.100109.5
138L96.4Very high95Very high18 Ų1863 Ų639%0.09434%0.34CS..  trans-81.9135.9177-64.2-175.8000109.8L108 L111 A112 L115 L127 H136 P140 A141 P142L108-L138 HydrophobicContact CB-CD2 3.95Å; L108-L138 HydrophobicContact CD2-CD2 4.37Å; L111-L138 HydrophobicContact CD2-CD1 4.35Å; L111-L138 HydrophobicContact CG-CD1 4.43Å; A112-L138 HydrophobicContact CB-CB 3.96Å; A112-L138 HydrophobicContact CB-CD2 4.45Å; L115-L138 HydrophobicContact CD1-CD1 3.95Å; L127-L138 HydrophobicContact CD2-CD1 3.45Å; L127-L138 VanDerWaalsContact CD2-CD1 3.45Å; L127-L138 HydrophobicContact CD2-CG 4.43Å; H136-L138 PolarHBondContact O-N 2.9Å; L138-P140 CarbonylContact C-O 3.42Å; L138-P140 CarbonylContact O-C 3.51Å; L138-P140 VanDerWaalsContact O-C 3.27Å; L138-A141 WeakPolarHBondContact O-CA 3.3Å; L138-A141 PolarHBondContact O-N 2.87Å; L138-P142 HydrophobicContact CD1-CG 4.07Å
139S94.9Very high94.9Very high101 Ų10162.2 Ų62.271%0.70634%0.341SS*.SBendtrans-125.2115.1172.1-172.50000109.2A112A112-S139 WeakPolarHBondContact CB-O 3.49Å
140P96.1Very high94.8Very high36 Ų3667.2 Ų67.223%0.23436%0.363CS..SBendcis-69.3153.3-0.231.8-37.1000113.1R116 L138R116-P140 VanDerWaalsContact CD-CG 3.46Å; R116-P140 HydrophobicContact CG-CG 4.32Å; L138-P140 CarbonylContact C-O 3.42Å; L138-P140 CarbonylContact O-C 3.51Å; L138-P140 VanDerWaalsContact O-C 3.27Å
141A96.1Very high94.6Very high57 Ų5766.4 Ų66.447%0.47136%0.364SS..PPolyproline II helixtrans-62.6149.3176.200000111.3R116 L138R116-A141 PolarHBondContact NH1-O 3.38Å; L138-A141 WeakPolarHBondContact O-CA 3.3Å; L138-A141 PolarHBondContact O-N 2.87Å
142P95.8Very high94.3Very high20 Ų2067 Ų6713%0.1338%0.38CS..PPolyproline II helixtrans-55.8152.6173.9-25.236.2000112.2L115 L138 I148L115-P142 HydrophobicContact CD1-CB 4.06Å; L115-P142 HydrophobicContact CD1-CG 3.85Å; L138-P142 HydrophobicContact CD1-CG 4.07Å; P142-I148 HydrophobicContact CG-CD1 4.04Å; P142-I148 HydrophobicContact CG-CG1 4.23Å
143P94.9Very high93.9Very high17 Ų1764.1 Ų64.111%0.1136%0.361CS..PPolyproline II helixtrans-55.6149.9170.2-23.934.3000112.5L115 R116 V121 H145 M146L115-P143 WeakPolarHBondContact O-CD 3.39Å; L115-P143 VanDerWaalsContact O-CG 3.27Å; L115-P143 WeakPolarHBondContact O-CG 3.41Å; R116-P143 HydrophobicContact CG-CG 4.37Å; V121-P143 HydrophobicContact CG2-CG 3.99Å; P143-H145 VanDerWaalsContact C-N 3.26Å; P143-H145 WeakPolarHBondContact CB-CE1 3.45Å; P143-H145 PolarHBondContact O-N 2.77Å; P143-M146 HydrophobicContact CB-CB 4.43Å; P143-M146 WeakPolarHBondContact O-CB 3.21Å; P143-M146 PolarHBondContact O-N 2.87Å
144L91.1Very high92.9Very high182 Ų18262.9 Ų62.995%0.95336%0.358SS*.THydrogen-bonded Turntrans-60.3-32.2-175.1-65.9177.2000114.1M146L144-M146 PolarHBondContact O-N 3.08Å
145H90.8Very high91.4Very high28 Ų2869.2 Ų69.213%0.1339%0.388CS..THydrogen-bonded Turntrans-75.5-3.9177.268.4-90000113.3V121 P143 P147 L226 L238V121-H145 PolarHBondContact O-CE1 2.9Å; V121-H145 PolarHBondContact O-NE2 3.04Å; P143-H145 VanDerWaalsContact C-N 3.26Å; P143-H145 WeakPolarHBondContact CB-CE1 3.45Å; P143-H145 PolarHBondContact O-N 2.77Å; H145-P147 VanDerWaalsContact O-CD 3.24Å; H145-P147 WeakPolarHBondContact O-CD 3.43Å; H145-L226 WeakPolarHBondContact CE1-CD2 3.44Å; H145-L238 HydrophobicContact CB-CD2 4.4Å
146M94.1Very high89.4Confident4 Ų468.4 Ų68.42%0.0239%0.39CS..SBendtrans-111.386.4-174.3-156.9178.7-80.500109.4L115 L125 P143 L144L115-M146 HydrophobicContact CB-SD 3.94Å; L115-M146 HydrophobicContact CD1-SD 4.33Å; L115-M146 HydrophobicContact CD2-CE 4.48Å; L115-M146 HydrophobicContact CD2-SD 3.42Å; L115-M146 WeakPolarHBondContact CD2-SD 3.01Å; L115-M146 HydrophobicContact CG-SD 4.05Å; L125-M146 HydrophobicContact CB-CE 3.78Å; L125-M146 HydrophobicContact CB-CG 3.89Å; L125-M146 HydrophobicContact CB-SD 3.86Å; L125-M146 HydrophobicContact CD1-CE 3.84Å; L125-M146 HydrophobicContact CD1-SD 4.38Å; L125-M146 HydrophobicContact CG-CE 3.95Å; L125-M146 WeakPolarHBondContact O-CA 3.42Å; L125-M146 WeakPolarHBondContact O-CG 3.24Å; P143-M146 HydrophobicContact CB-CB 4.43Å; P143-M146 WeakPolarHBondContact O-CB 3.21Å; P143-M146 PolarHBondContact O-N 2.87Å; L144-M146 PolarHBondContact O-N 3.08Å
147P93.1Very high87.1Confident67 Ų6770.2 Ų70.244%0.43540%0.402SS..  trans-66.5147.7-17025.7-34.8000112.7L125 T126 L127 H145L125-P147 WeakPolarHBondContact O-CD 3.42Å; T126-P147 HydrophobicContact CG2-CG 4.16Å; L127-P147 PolarHBondContact N-O 3.22Å; H145-P147 VanDerWaalsContact O-CD 3.24Å; H145-P147 WeakPolarHBondContact O-CD 3.43Å
148I95.9Very high84.6Confident72 Ų7269.1 Ų69.137%0.36940%0.397SS..EExtended strand (participates in β ladder)trans-94.6121.2166.7-56178.6000108.1L127 P142 F150L127-I148 HydrophobicContact CD2-CG1 4.49Å; L127-I148 CarbonylContact O-C 3.27Å; L127-I148 VanDerWaalsContact O-CA 3.28Å; L127-I148 WeakPolarHBondContact O-CA 3.3Å; P142-I148 HydrophobicContact CG-CD1 4.04Å; P142-I148 HydrophobicContact CG-CG1 4.23Å; I148-F150 HydrophobicContact CG2-CE2 4.16Å; I148-F150 HydrophobicContact CG2-CZ 4.25Å
149A95.7Very high81.9Confident20 Ų2073.6 Ų73.617%0.16543%0.427CS..EExtended strand (participates in β ladder)trans-118.7163.6179.700000111.6T126 L127 R128 W129T126-A149 HydrophobicContact CG2-CB 3.94Å; L127-A149 PolarHBondContact O-N 3.11Å; R128-A149 CarbonylContact C-O 3.54Å; R128-A149 VanDerWaalsContact CA-O 3.3Å; R128-A149 WeakPolarHBondContact CA-O 3.35Å; R128-A149 HydrophobicContact CB-CB 4.4Å; R128-A149 HydrophobicContact CG-CB 4.37Å; W129-A149 PolarHBondContact N-O 2.89Å
150F96.1Very high79.1Confident105 Ų10577.6 Ų77.646%0.46143%0.431SS..EExtended strand (participates in β ladder)trans-129.2155.2178.8-63.7-93.1000111.2R128 W129 H135 I148R128-F150 PolarHBondContact NH1-O 3.13Å; W129-F150 HydrophobicContact CB-CD1 3.71Å; W129-F150 HydrophobicContact CB-CE1 3.87Å; W129-F150 HydrophobicContact CG-CD1 4.43Å; W129-F150 HydrophobicContact CG-CE1 4.12Å; W129-F150 CarbonylContact O-C 3.52Å; W129-F150 WeakPolarHBondContact O-CA 3.34Å; H135-F150 HydrophobicContact CB-CE1 4.13Å; H135-F150 AromaticContact CD2-CE1 3.73Å; H135-F150 AromaticContact CD2-CZ 3.67Å; H135-F150 AromaticContact CG-CE1 3.92Å; H135-F150 AromaticContact NE2-CZ 3.9Å; I148-F150 HydrophobicContact CG2-CE2 4.16Å; I148-F150 HydrophobicContact CG2-CZ 4.25Å
151G92.9Very high76.4Confident22 Ų2285.2 Ų85.223%0.22746%0.464CS..SBendtrans84.6-175.2178.500000113.3R128 W129 L130R128-G151 VanDerWaalsContact CD-O 3.24Å; R128-G151 WeakPolarHBondContact CD-O 3.45Å; R128-G151 WeakPolarHBondContact CG-O 3.42Å; R128-G151 PolarHBondContact NH1-O 3.16Å; W129-G151 PolarHBondContact O-N 3.44Å; L130-G151 WeakPolarHBondContact CD2-O 3.45Å
152P89.1Confident73.7Confident103 Ų10389.8 Ų89.867%0.66948%0.48SS*.SBendtrans-59.7150.7-172.425.3-34.1000112.5R128R128-P152 PolarHBondContact NH1-O 3.4Å; R128-P152 VanDerWaalsContact NH1-O 3.11Å
153P83.4Confident71Confident23 Ų2393.5 Ų93.515%0.14951%0.512CS..PPolyproline II helixtrans-65.8155.4173.728.5-30.4000110.2F10 P35 Q155F10-P153 HydrophobicContact CE2-CB 3.89Å; F10-P153 HydrophobicContact CZ-CB 3.99Å; P35-P153 HydrophobicContact CB-CG 4.09Å; P35-P153 HydrophobicContact CG-CG 3.87Å; P153-Q155 PolarHBondContact O-N 3.45Å
154P74.1Confident68.2Low74 Ų7497.4 Ų97.448%0.48155%0.546SS..PPolyproline II helixtrans-51.7125.6170.6-20.831.5000109.1
155Q64.5Low65.6Low154 Ų15494 Ų9472%0.7254%0.538SS*.PPolyproline II helixtrans-77.9137.2175.5-65.4-164.5-900108.5P153 L157P153-Q155 PolarHBondContact O-N 3.45Å; Q155-L157 PolarHBondContact O-N 3.17Å
156P53.9Low63.3Low58 Ų58101.8 Ų101.838%0.37757%0.574SS.*PPolyproline II helixtrans-52.6127.5162.2-20.331.9000107.4P7 E158P7-P156 HydrophobicContact CB-CB 4.2Å; P156-E158 PolarHBondContact O-N 2.91Å
157L45.2Very low60.3Low131 Ų131107.8 Ų107.869%0.68661%0.611SS**  trans-58.1108.4175-72.8163.8000107.5Q155Q155-L157 PolarHBondContact O-N 3.17Å
158E42Very low57.7Low159 Ų159111.9 Ų111.974%0.74363%0.629SS**  trans-57.4130171.1-71.1-77.7150.300107.9P156 K160P156-E158 PolarHBondContact O-N 2.91Å; E158-K160 PolarHBondContact O-N 3.27Å
159P40.9Very low54.8Low112 Ų112113.2 Ų113.273%0.72765%0.645SS**  trans-59.4110.4175.9-20.430.9000109.1Q161P159-Q161 PolarHBondContact O-N 2.83Å
160K34.8Very low51.9Low185 Ų185121.5 Ų121.580%0.80468%0.677SS**  trans-64.9109171.8-150174.6-170.5177.80106.2E158 L162E158-K160 PolarHBondContact O-N 3.27Å; K160-L162 VanDerWaalsContact C-N 3.26Å; K160-L162 PolarHBondContact O-N 3.48Å
161Q39.5Very low48.9Very low197 Ų197122.3 Ų122.392%0.92169%0.693SS**  trans-60.191.9171.9-72.3-172.7-3300108.4P159P159-Q161 PolarHBondContact O-N 2.83Å
162L40.2Very low46.2Very low153 Ų153130.3 Ų130.380%0.80173%0.725SS**  trans-81.1116165.2-88.9128.4000106.7K160 A164K160-L162 VanDerWaalsContact C-N 3.26Å; K160-L162 PolarHBondContact O-N 3.48Å; L162-A164 PolarHBondContact O-N 3.07Å
163A38Very low43.7Very low97 Ų97133 Ų13380%0.80273%0.732SS**  trans-50132.2174.200000110.3S165A163-S165 PolarHBondContact O-N 2.92Å
164A38.1Very low41.3Very low100 Ų100139.4 Ų139.483%0.82677%0.765SS**  trans-58.5125.8178.200000110.9L162L162-A164 PolarHBondContact O-N 3.07Å
165S35.5Very low40Very low111 Ų111142.7 Ų142.778%0.77678%0.778SS**  trans-122.8107.2152.2640000107.1A163 T167A163-S165 PolarHBondContact O-N 2.92Å; S165-T167 PolarHBondContact O-N 2.87Å
166E41.9Very low39.4Very low190 Ų190137.7 Ų137.789%0.88877%0.768SS**  trans-66118.4174.1-64.6-175.6154.300109.9
167T31.6Very low39.5Very low131 Ų131141.1 Ų141.180%0.80479%0.79SS**  trans-138.2107150.137.40000108.3S165 S169S165-T167 PolarHBondContact O-N 2.87Å; T167-S169 PolarHBondContact O-N 3.28Å
168D39.2Very low40.6Very low152 Ų152142.5 Ų142.581%0.81379%0.791SS**  trans-63.9108.1175-172.717.8000109.6
169S35.2Very low42.5Very low101 Ų101136.4 Ų136.471%0.70677%0.767SS**  trans-152.396.1167.4-71.60000107.8T167 P171T167-S169 PolarHBondContact O-N 3.28Å; S169-P171 WeakPolarHBondContact O-CD 3.21Å
170K32.8Very low44.9Very low194 Ų194134.3 Ų134.384%0.84376%0.755SS**  trans-47.9119.7170-80177.2173.5176.30110.1Q172K170-Q172 PolarHBondContact O-N 3.15Å
171P34.5Very low47.6Very low122 Ų122125.6 Ų125.679%0.79272%0.717SS**  trans-74.8113.6167.710.12.9000108S169 L173S169-P171 WeakPolarHBondContact O-CD 3.21Å; P171-L173 PolarHBondContact O-N 3.25Å
172Q35.8Very low50.2Low190 Ų190119.6 Ų119.689%0.88869%0.694SS**  trans-57.7118.9168-155.8170-29.600108K170 D174K170-Q172 PolarHBondContact O-N 3.15Å; Q172-D174 PolarHBondContact O-N 3.15Å
173L35.8Very low52.8Low159 Ų159115 Ų11583%0.83267%0.67SS**  trans-64.397.3178.6-75.3156.2000109.1P171 L175P171-L173 PolarHBondContact O-N 3.25Å; L173-L175 PolarHBondContact O-N 3.16Å; L173-L175 VanDerWaalsContact O-N 3.11Å
174D34Very low55.5Low157 Ų157112.6 Ų112.684%0.8465%0.647SS**  trans-72.199.2170.6-163.316.2000108Q172 G176Q172-D174 PolarHBondContact O-N 3.15Å; D174-G176 VanDerWaalsContact C-N 3.29Å; D174-G176 PolarHBondContact O-N 2.89Å
175L45.6Very low58.1Low144 Ų144111.8 Ų111.875%0.75464%0.641SS**  trans-68.489.2175.4-80.7108.7000108.9L173L173-L175 PolarHBondContact O-N 3.16Å; L173-L175 VanDerWaalsContact O-N 3.11Å
176G51.9Low60.7Low49 Ų49115.3 Ų115.351%0.50564%0.637SS.*  trans-51.9161.4164.800000111.9D174 K178D174-G176 VanDerWaalsContact C-N 3.29Å; D174-G176 PolarHBondContact O-N 2.89Å; G176-K178 PolarHBondContact O-N 3.24Å
177P57.7Low63Low129 Ų129109.6 Ų109.684%0.83861%0.611SS**  trans-54.3120.1-173.619.9-31.1000111.1A179P177-A179 PolarHBondContact O-N 2.77Å
178K67.6Low65.7Low161 Ų161104.6 Ų104.670%0.758%0.579SS**  trans-41.5100.3169.3-89.5-175.2-174.8-177.90110.3G176 M187G176-K178 PolarHBondContact O-N 3.24Å; K178-M187 HydrophobicContact CB-CE 3.43Å; K178-M187 VanDerWaalsContact CB-CE 3.43Å; K178-M187 HydrophobicContact CB-SD 3.81Å; K178-M187 HydrophobicContact CD-CE 3.77Å; K178-M187 HydrophobicContact CD-SD 4.34Å; K178-M187 HydrophobicContact CG-CE 3.6Å; K178-M187 HydrophobicContact CG-SD 4.43Å
179A81.8Confident67.4Low31 Ų31104.7 Ų104.726%0.25657%0.574SS.*  trans-73.8142.2-17600000110.6P177 L188 K205P177-A179 PolarHBondContact O-N 2.77Å; A179-L188 HydrophobicContact CB-CD1 3.76Å; A179-L188 WeakPolarHBondContact O-CB 3.49Å; A179-L188 PolarHBondContact O-N 3.07Å; A179-K205 HydrophobicContact CB-CD 3.95Å
180S91.1Very high68.8Low68 Ų68102.6 Ų102.648%0.47656%0.556SS.*BIsolated β-bridgetrans-106.3148.2174.452.10000111V182 R186S180-V182 PolarHBondContact O-N 3Å; S180-R186 WeakPolarHBondContact CA-O 3.38Å
181C92.8Very high70.3Confident1 Ų1102.2 Ų102.21%0.00756%0.557CS.*  trans-68.3127.7174.4174.30000109.8L183 C184 A185 R186 L188 K205 H207C181-L183 PolarHBondContact O-N 3.4Å; C181-L183 PolarHBondContact SG-N 2.85Å; C181-C184 VanDerWaalsContact SG-SG 3.67Å; C181-A185 WeakPolarHBondContact O-CA 3.24Å; C181-A185 PolarHBondContact O-N 3.02Å; C181-R186 PolarHBondContact N-O 3.47Å; C181-L188 HydrophobicContact CB-CD2 3.82Å; C181-L188 HydrophobicContact CB-CG 4.3Å; C181-K205 WeakPolarHBondContact CA-O 3.34Å; C181-H207 VanDerWaalsContact CB-CE1 3.41Å; C181-H207 WeakPolarHBondContact CB-CE1 3.45Å; C181-H207 WeakPolarHBondContact CB-ND1 3.45Å; C181-H207 PolarHBondContact SG-N 2.99Å; C181-H207 VanDerWaalsContact SG-N 3.44Å; C181-H207 PolarHBondContact SG-ND1 3.39Å
182V93.4Very high71.8Confident71 Ų71101.5 Ų101.543%0.4354%0.543SS..THydrogen-bonded Turntrans-65.8-16.6179.8-64.50000114S180 L204 K205 A206S180-V182 PolarHBondContact O-N 3Å; V182-L204 HydrophobicContact CG2-CD1 3.44Å; V182-L204 VanDerWaalsContact CG2-CD1 3.44Å; V182-L204 HydrophobicContact CG2-CG 4.45Å; V182-K205 WeakPolarHBondContact CG2-O 3.22Å; V182-K205 PolarHBondContact N-O 2.78Å; V182-A206 HydrophobicContact CG2-CB 4.28Å
183L94.3Very high73.7Confident57 Ų5793.9 Ų93.930%0.29852%0.516SS..THydrogen-bonded Turntrans-95.8-47.8-175.4-66.7175.3000112.5C181 A206 C210 L211 E214 P231C181-L183 PolarHBondContact O-N 3.4Å; C181-L183 PolarHBondContact SG-N 2.85Å; L183-A206 HydrophobicContact CD1-CB 4.14Å; L183-A206 HydrophobicContact CG-CB 4.47Å; L183-C210 HydrophobicContact CB-CB 3.93Å; L183-C210 VanDerWaalsContact CD1-C 3.43Å; L183-C210 HydrophobicContact CD1-CB 3.75Å; L183-C210 WeakPolarHBondContact CD1-O 3.38Å; L183-C210 HydrophobicContact CG-CB 4.47Å; L183-L211 HydrophobicContact CD1-CB 4.28Å; L183-L211 HydrophobicContact CD1-CD1 4.2Å; L183-E214 HydrophobicContact CD1-CB 4.24Å; L183-P231 HydrophobicContact CD2-CB 4.06Å; L183-P231 HydrophobicContact CD2-CG 3.87Å
184C94.4Very high76.2Confident46 Ų4688.2 Ų88.231%0.31149%0.488SS..THydrogen-bonded Turntrans-104.7-3.6-177.673.40000113.9C181 R186 H207C181-C184 VanDerWaalsContact SG-SG 3.67Å; C184-R186 HydrophobicContact CB-CG 4.5Å; C184-R186 PolarHBondContact O-N 2.82Å; C184-R186 PolarHBondContact SG-N 3.18Å; C184-H207 PolarHBondContact SG-CE1 3.39Å; C184-H207 PolarHBondContact SG-ND1 2.85Å
185A92.6Very high78.8Confident84 Ų8481 Ų8169%0.69445%0.449SS*.  trans58.88-175.500000115.5C181C181-A185 WeakPolarHBondContact O-CA 3.24Å; C181-A185 PolarHBondContact O-N 3.02Å
186R91.8Very high81Confident185 Ų18576.7 Ų76.770%0.69843%0.431SS*.  trans-85.1159.8176.4-58.3177.7-172.7170.31.9111.1S180 C181 C184S180-R186 WeakPolarHBondContact CA-O 3.38Å; C181-R186 PolarHBondContact N-O 3.47Å; C184-R186 HydrophobicContact CB-CG 4.5Å; C184-R186 PolarHBondContact O-N 2.82Å; C184-R186 PolarHBondContact SG-N 3.18Å
187M90.2Very high82.9Confident70 Ų7075 Ų7535%0.34541%0.411SS..BIsolated β-bridgetrans-57135.2174.9-81.5-62.6-47.400112.2K178 Q189 H207K178-M187 HydrophobicContact CB-CE 3.43Å; K178-M187 VanDerWaalsContact CB-CE 3.43Å; K178-M187 HydrophobicContact CB-SD 3.81Å; K178-M187 HydrophobicContact CD-CE 3.77Å; K178-M187 HydrophobicContact CD-SD 4.34Å; K178-M187 HydrophobicContact CG-CE 3.6Å; K178-M187 HydrophobicContact CG-SD 4.43Å; M187-Q189 HydrophobicContact CB-CG 4.1Å; M187-Q189 PolarHBondContact O-N 2.72Å; M187-H207 PolarHBondContact O-CE1 2.75Å; M187-H207 PolarHBondContact O-NE2 3.35Å
188L86.9Confident84.4Confident25 Ų2571.7 Ų71.713%0.13139%0.39CS..  trans-81109168.9-64.9160.9000107.5A179 C181 P194 K205A179-L188 HydrophobicContact CB-CD1 3.76Å; A179-L188 WeakPolarHBondContact O-CB 3.49Å; A179-L188 PolarHBondContact O-N 3.07Å; C181-L188 HydrophobicContact CB-CD2 3.82Å; C181-L188 HydrophobicContact CB-CG 4.3Å; L188-P194 HydrophobicContact CD1-CB 3.66Å; L188-P194 HydrophobicContact CD1-CG 4.13Å; L188-P194 HydrophobicContact CD2-CB 3.91Å; L188-P194 HydrophobicContact CG-CB 4.24Å; L188-K205 HydrophobicContact CD1-CB 3.82Å
189Q74.4Confident85.5Confident154 Ų15466.6 Ų66.672%0.7237%0.368SS*.  trans-123.62.7-179.8-64.6179.85.900112M187 E191M187-Q189 HydrophobicContact CB-CG 4.1Å; M187-Q189 PolarHBondContact O-N 2.72Å; Q189-E191 PolarHBondContact O-N 2.67Å
190D65.4Low85.9Confident58 Ų5871 Ų7131%0.3140%0.395SS..  trans-63.7132.4-175.7-58.7-9.2000109.8E192 G193 H207D190-E192 PolarHBondContact O-N 2.81Å; D190-G193 PolarHBondContact O-N 2.6Å; D190-H207 IonicContact OD1-CD2 3.52Å; D190-H207 IonicContact OD2-CD2 3.75Å; D190-H207 PolarHBondContact OD2-CD2 3.11Å; D190-H207 VanDerWaalsContact OD2-CD2 3.3Å
191E64.6Low85.8Confident185 Ų18571.8 Ų71.886%0.86441%0.413SS*.THydrogen-bonded Turntrans-59.1-33.4177.2-66.5-72.4136.100111Q189 G193Q189-E191 PolarHBondContact O-N 2.67Å; E191-G193 PolarHBondContact O-N 2.83Å
192E65.2Low85.8Confident107 Ų10772.9 Ų72.950%0.542%0.42SS..THydrogen-bonded Turntrans-76.8-2.2176.1-56.490.2176.200114.1D190D190-E192 PolarHBondContact O-N 2.81Å
193G75.8Confident85.7Confident31 Ų3174.1 Ų74.132%0.3243%0.43SS..  trans71.1170.3-17700000114.3D190 E191D190-G193 PolarHBondContact O-N 2.6Å; E191-G193 PolarHBondContact O-N 2.83Å
194P87.8Confident85.6Confident40 Ų4071.5 Ų71.526%0.2642%0.417SS..  trans-74.5146.4-177.829.5-34.2000112.9L188 C196 K205L188-P194 HydrophobicContact CD1-CB 3.66Å; L188-P194 HydrophobicContact CD1-CG 4.13Å; L188-P194 HydrophobicContact CD2-CB 3.91Å; L188-P194 HydrophobicContact CG-CB 4.24Å; P194-C196 PolarHBondContact O-N 2.6Å; P194-K205 HydrophobicContact CB-CB 4.26Å
195L90.2Very high85.5Confident4 Ų473.9 Ų73.92%0.02142%0.422CS..EExtended strand (participates in β ladder)trans-66126163.4-65.3-168.5000109.6K205 A206 I208 L211 W239 C246L195-K205 WeakPolarHBondContact O-CA 3.13Å; L195-A206 PolarHBondContact N-O 2.98Å; L195-A206 PolarHBondContact O-N 3.37Å; L195-A206 VanDerWaalsContact O-N 3.08Å; L195-I208 HydrophobicContact CD1-CB 4.24Å; L195-I208 HydrophobicContact CD1-CG1 4.1Å; L195-I208 HydrophobicContact CG-CB 4.23Å; L195-I208 HydrophobicContact CG-CG1 4.48Å; L195-L211 HydrophobicContact CB-CD2 4.09Å; L195-L211 HydrophobicContact CD1-CB 4.2Å; L195-L211 HydrophobicContact CD1-CD2 3.75Å; L195-W239 HydrophobicContact CD1-CH2 3.68Å; L195-W239 HydrophobicContact CD1-CZ3 3.83Å; L195-C246 HydrophobicContact CD2-CB 3.83Å; L195-C246 WeakPolarHBondContact CD2-SG 3.21Å
196C91.1Very high85.6Confident55 Ų5569.9 Ų69.937%0.37239%0.389SS..EExtended strand (participates in β ladder)trans-111.2146.1177.1-63.50000110.9P194 L204 L242P194-C196 PolarHBondContact O-N 2.6Å; C196-L204 WeakPolarHBondContact CA-O 3.27Å; C196-L242 WeakPolarHBondContact O-CD2 3.27Å
197C91.7Very high85.6Confident13 Ų1362.3 Ų62.39%0.08836%0.361CS..  trans-74.1128.7172.21790000110H199 C202 L204C197-H199 PolarHBondContact O-N 3.23Å; C197-H199 VanDerWaalsContact SG-CD2 3.54Å; C197-C202 HydrophobicContact CB-CB 3.77Å; C197-C202 WeakPolarHBondContact CB-SG 3.4Å; C197-L204 HydrophobicContact CB-CB 3.61Å; C197-L204 HydrophobicContact CB-CD2 3.79Å; C197-L204 HydrophobicContact CB-CG 4.31Å
198P89.8Confident85.7Confident60 Ų6062 Ų6239%0.3936%0.36SS..  trans-73.3-10.6-179.730.2-37.1000113.5L237 L242P198-L237 HydrophobicContact CG-CD2 3.91Å; P198-L242 HydrophobicContact CG-CD2 4.46Å
199H90.1Very high85.9Confident53 Ų5366.1 Ų66.125%0.24538%0.381CS..SBendtrans-71126178.9-69.8-70.7000110.4C197 G201 C202 K235 S236C197-H199 PolarHBondContact O-N 3.23Å; C197-H199 VanDerWaalsContact SG-CD2 3.54Å; H199-G201 PolarHBondContact O-N 3.19Å; H199-C202 HydrophobicContact CB-CB 4.42Å; H199-C202 WeakPolarHBondContact O-CB 3.44Å; H199-C202 PolarHBondContact O-N 3.36Å; H199-C202 VanDerWaalsContact O-N 3.12Å; H199-K235 HydrophobicContact CB-CD 4.01Å; H199-K235 VanDerWaalsContact CG-CD 3.41Å; H199-K235 WeakPolarHBondContact ND1-CD 3.13Å; H199-K235 WeakPolarHBondContact NE2-CB 3.49Å; H199-S236 PolarHBondContact NE2-O 3.33Å
200P90.3Very high86.9Confident125 Ų12560 Ų6081%0.81236%0.355SS*.THydrogen-bonded Turntrans-53.5133.3-176.6-2834.4000113C202P200-C202 VanDerWaalsContact C-N 3.26Å; P200-C202 PolarHBondContact O-N 2.7Å
201G89.2Confident88.2Confident84 Ų8457.2 Ų57.287%0.86634%0.34SS*.THydrogen-bonded Turntrans75.93.8178.300000115.4H199H199-G201 PolarHBondContact O-N 3.19Å
202C93Very high89.7Confident23 Ų2349.1 Ų49.116%0.15531%0.305CS..  trans-75.8129.5176.2-172.40000111.3C197 H199 P200 L204 C233C197-C202 HydrophobicContact CB-CB 3.77Å; C197-C202 WeakPolarHBondContact CB-SG 3.4Å; H199-C202 HydrophobicContact CB-CB 4.42Å; H199-C202 WeakPolarHBondContact O-CB 3.44Å; H199-C202 PolarHBondContact O-N 3.36Å; H199-C202 VanDerWaalsContact O-N 3.12Å; P200-C202 VanDerWaalsContact C-N 3.26Å; P200-C202 PolarHBondContact O-N 2.7Å; C202-L204 VanDerWaalsContact C-N 3.26Å; C202-L204 PolarHBondContact O-N 2.78Å; C202-C233 HydrophobicContact CB-CB 4.32Å; C202-C233 VanDerWaalsContact SG-SG 3.62Å
203P91.5Very high91.1Very high98 Ų9850.1 Ų50.164%0.63631%0.309SS*.  trans-84.57.5-178.135.1-37.5000114K205P203-K205 PolarHBondContact O-N 2.74Å
204L92.3Very high92Very high2 Ų251.4 Ų51.41%0.0131%0.307CS..  trans-60.9121.1-175.9-175.979.6000110.7V182 C196 C197 C202 L211 P231 S232 L237V182-L204 HydrophobicContact CG2-CD1 3.44Å; V182-L204 VanDerWaalsContact CG2-CD1 3.44Å; V182-L204 HydrophobicContact CG2-CG 4.45Å; C196-L204 WeakPolarHBondContact CA-O 3.27Å; C197-L204 HydrophobicContact CB-CB 3.61Å; C197-L204 HydrophobicContact CB-CD2 3.79Å; C197-L204 HydrophobicContact CB-CG 4.31Å; C202-L204 VanDerWaalsContact C-N 3.26Å; C202-L204 PolarHBondContact O-N 2.78Å; L204-L211 HydrophobicContact CD2-CD2 4.28Å; L204-P231 HydrophobicContact CD1-CB 4.21Å; L204-P231 HydrophobicContact CD1-CG 4.14Å; L204-S232 WeakPolarHBondContact CD1-OG 3.47Å; L204-L237 HydrophobicContact CD2-CD1 4.42Å
205K92.3Very high92.4Very high96 Ų9650.3 Ų50.342%0.41730%0.298SS..EExtended strand (participates in β ladder)trans-134.9122.3164-62.7-177.5178.5-177.40108.2A179 C181 V182 L188 P194 L195 P203A179-K205 HydrophobicContact CB-CD 3.95Å; C181-K205 WeakPolarHBondContact CA-O 3.34Å; V182-K205 WeakPolarHBondContact CG2-O 3.22Å; V182-K205 PolarHBondContact N-O 2.78Å; L188-K205 HydrophobicContact CD1-CB 3.82Å; P194-K205 HydrophobicContact CB-CB 4.26Å; L195-K205 WeakPolarHBondContact O-CA 3.13Å; P203-K205 PolarHBondContact O-N 2.74Å
206A93.6Very high92.7Very high0 Ų051.3 Ų51.30%030%0.304CS..EExtended strand (participates in β ladder)trans-142.3153.2-177.400000112V182 L183 L195 L211V182-A206 HydrophobicContact CG2-CB 4.28Å; L183-A206 HydrophobicContact CD1-CB 4.14Å; L183-A206 HydrophobicContact CG-CB 4.47Å; L195-A206 PolarHBondContact N-O 2.98Å; L195-A206 PolarHBondContact O-N 3.37Å; L195-A206 VanDerWaalsContact O-N 3.08Å; A206-L211 HydrophobicContact CB-CB 4.2Å
207H92Very high92.8Very high25 Ų2556 Ų5612%0.11631%0.313CS..  trans-60.2146.3164.3-60103.9000109.4C181 C184 M187 D190 I209 C210 L211C181-H207 VanDerWaalsContact CB-CE1 3.41Å; C181-H207 WeakPolarHBondContact CB-CE1 3.45Å; C181-H207 WeakPolarHBondContact CB-ND1 3.45Å; C181-H207 PolarHBondContact SG-N 2.99Å; C181-H207 VanDerWaalsContact SG-N 3.44Å; C181-H207 PolarHBondContact SG-ND1 3.39Å; C184-H207 PolarHBondContact SG-CE1 3.39Å; C184-H207 PolarHBondContact SG-ND1 2.85Å; M187-H207 PolarHBondContact O-CE1 2.75Å; M187-H207 PolarHBondContact O-NE2 3.35Å; D190-H207 IonicContact OD1-CD2 3.52Å; D190-H207 IonicContact OD2-CD2 3.75Å; D190-H207 PolarHBondContact OD2-CD2 3.11Å; D190-H207 VanDerWaalsContact OD2-CD2 3.3Å; H207-I209 VanDerWaalsContact C-N 3.29Å; H207-I209 PolarHBondContact O-N 3.22Å; H207-C210 HydrophobicContact CB-CB 4.15Å; H207-C210 PolarHBondContact O-N 3.43Å; H207-L211 PolarHBondContact O-N 3.35Å; H207-L211 VanDerWaalsContact O-N 3.09Å
208I91.6Very high92.8Very high64 Ų6463.2 Ų63.233%0.32835%0.346SS..Hα-helixtrans-56.1-45.4177-175.7165.4000111.6L195 L211 A212 W239 I243L195-I208 HydrophobicContact CD1-CB 4.24Å; L195-I208 HydrophobicContact CD1-CG1 4.1Å; L195-I208 HydrophobicContact CG-CB 4.23Å; L195-I208 HydrophobicContact CG-CG1 4.48Å; I208-L211 PolarHBondContact O-N 2.91Å; I208-A212 WeakPolarHBondContact O-CB 3.38Å; I208-A212 PolarHBondContact O-N 3.18Å; I208-W239 HydrophobicContact CD1-CZ2 4.4Å; I208-W239 HydrophobicContact CG1-CH2 3.93Å; I208-W239 HydrophobicContact CG1-CZ2 3.94Å; I208-I243 HydrophobicContact CD1-CG2 4.4Å
209I92.1Very high92.9Very high111 Ų11163.6 Ų63.657%0.56934%0.342SS*.Hα-helixtrans-65.9-45.6-178.5-56.3178.3000110.7H207 L211 A212 E213H207-I209 VanDerWaalsContact C-N 3.29Å; H207-I209 PolarHBondContact O-N 3.22Å; I209-L211 VanDerWaalsContact C-N 3.35Å; I209-L211 PolarHBondContact O-N 3.43Å; I209-A212 PolarHBondContact O-N 2.85Å; I209-E213 HydrophobicContact CG2-CG 4.31Å; I209-E213 WeakPolarHBondContact O-CG 3.18Å; I209-E213 PolarHBondContact O-N 3.19Å
210C94.3Very high92.6Very high26 Ų2666.8 Ų66.818%0.17637%0.368CS..Hα-helixtrans-61.3-43.3-179.6-65.20000112L183 H207 E214L183-C210 HydrophobicContact CB-CB 3.93Å; L183-C210 VanDerWaalsContact CD1-C 3.43Å; L183-C210 HydrophobicContact CD1-CB 3.75Å; L183-C210 WeakPolarHBondContact CD1-O 3.38Å; L183-C210 HydrophobicContact CG-CB 4.47Å; H207-C210 HydrophobicContact CB-CB 4.15Å; H207-C210 PolarHBondContact O-N 3.43Å; C210-E214 PolarHBondContact O-N 2.97Å; C210-E214 VanDerWaalsContact O-N 3.08Å
211L94.4Very high92.5Very high0 Ų064.3 Ų64.30%037%0.365CS..Hα-helixtrans-71.4-34.7178.7-169.263.3000111.8L183 L195 L204 A206 H207 I208 I209 E214 F215 P231 W239 L242L183-L211 HydrophobicContact CD1-CB 4.28Å; L183-L211 HydrophobicContact CD1-CD1 4.2Å; L195-L211 HydrophobicContact CB-CD2 4.09Å; L195-L211 HydrophobicContact CD1-CB 4.2Å; L195-L211 HydrophobicContact CD1-CD2 3.75Å; L204-L211 HydrophobicContact CD2-CD2 4.28Å; A206-L211 HydrophobicContact CB-CB 4.2Å; H207-L211 PolarHBondContact O-N 3.35Å; H207-L211 VanDerWaalsContact O-N 3.09Å; I208-L211 PolarHBondContact O-N 2.91Å; I209-L211 VanDerWaalsContact C-N 3.35Å; I209-L211 PolarHBondContact O-N 3.43Å; L211-E214 PolarHBondContact O-N 3.21Å; L211-F215 HydrophobicContact CD1-CD1 4.17Å; L211-F215 HydrophobicContact CD1-CE1 3.6Å; L211-F215 HydrophobicContact CD1-CZ 3.95Å; L211-F215 HydrophobicContact CD2-CZ 4.33Å; L211-F215 HydrophobicContact CG-CD1 4.47Å; L211-F215 HydrophobicContact CG-CE1 4.09Å; L211-F215 HydrophobicContact CG-CE2 4.47Å; L211-F215 HydrophobicContact CG-CZ 4.08Å; L211-F215 PolarHBondContact O-N 3.46Å; L211-F215 VanDerWaalsContact O-N 3.07Å; L211-P231 HydrophobicContact CD1-CG 4.04Å; L211-W239 HydrophobicContact CB-CZ3 4.33Å; L211-W239 HydrophobicContact CD2-CZ3 4.39Å; L211-W239 HydrophobicContact CG-CZ3 4.22Å; L211-L242 HydrophobicContact CD2-CD1 3.88Å
212A94.6Very high92.7Very high14 Ų1464.4 Ų64.412%0.11634%0.343CS..Hα-helixtrans-61.7-49.1174.300000111.5I208 I209 E214 F215 L216 P225 W239I208-A212 WeakPolarHBondContact O-CB 3.38Å; I208-A212 PolarHBondContact O-N 3.18Å; I209-A212 PolarHBondContact O-N 2.85Å; A212-E214 VanDerWaalsContact C-N 3.31Å; A212-E214 PolarHBondContact O-N 3.27Å; A212-F215 PolarHBondContact O-N 2.82Å; A212-F215 VanDerWaalsContact O-N 3.17Å; A212-L216 WeakPolarHBondContact O-CB 3.36Å; A212-L216 WeakPolarHBondContact O-CD1 3.29Å; A212-L216 WeakPolarHBondContact O-CG 3.44Å; A212-L216 PolarHBondContact O-N 3.27Å; A212-P225 HydrophobicContact CB-CG 3.77Å; A212-W239 HydrophobicContact CB-CH2 3.55Å; A212-W239 HydrophobicContact CB-CZ2 3.98Å; A212-W239 HydrophobicContact CB-CZ3 4.14Å
213E95.1Very high92.5Very high128 Ų12870.7 Ų70.760%0.59837%0.374SS*.Hα-helixtrans-59.4-41.3177-72.8175.4167.600111.9I209 F215 L216 R217I209-E213 HydrophobicContact CG2-CG 4.31Å; I209-E213 WeakPolarHBondContact O-CG 3.18Å; I209-E213 PolarHBondContact O-N 3.19Å; E213-F215 VanDerWaalsContact C-N 3.34Å; E213-F215 PolarHBondContact O-N 2.98Å; E213-L216 PolarHBondContact O-N 3.18Å; E213-R217 PolarHBondContact O-N 3.11Å
214E95.4Very high92.5Very high58 Ų5869.8 Ų69.827%0.27136%0.364SS..Hα-helixtrans-59-45.1175-178.665.2-150.200111.7L183 C210 L211 A212 L216 R217 P231L183-E214 HydrophobicContact CD1-CB 4.24Å; C210-E214 PolarHBondContact O-N 2.97Å; C210-E214 VanDerWaalsContact O-N 3.08Å; L211-E214 PolarHBondContact O-N 3.21Å; A212-E214 VanDerWaalsContact C-N 3.31Å; A212-E214 PolarHBondContact O-N 3.27Å; E214-L216 VanDerWaalsContact C-N 3.32Å; E214-R217 VanDerWaalsContact CD-NH2 3.27Å; E214-R217 IonicContact OE1-CZ 3.36Å; E214-R217 IonicContact OE1-NH1 2.71Å; E214-R217 PolarHBondContact OE1-NH1 3.2Å; E214-R217 IonicContact OE1-NH2 3.33Å; E214-R217 PolarHBondContact OE1-NH2 3.19Å; E214-R217 IonicContact OE2-CZ 3.44Å; E214-R217 IonicContact OE2-NH1 3.59Å; E214-R217 IonicContact OE2-NH2 2.63Å; E214-R217 PolarHBondContact OE2-NH2 3.08Å; E214-P231 HydrophobicContact CG-CG 4.22Å
215F95.3Very high92.6Very high18 Ų1869.8 Ų69.88%0.07936%0.364CS..Hα-helixtrans-73-26.4-179.7-73.18.8000112.7L211 A212 E213 P225 H229 L237 W239 L242L211-F215 HydrophobicContact CD1-CD1 4.17Å; L211-F215 HydrophobicContact CD1-CE1 3.6Å; L211-F215 HydrophobicContact CD1-CZ 3.95Å; L211-F215 HydrophobicContact CD2-CZ 4.33Å; L211-F215 HydrophobicContact CG-CD1 4.47Å; L211-F215 HydrophobicContact CG-CE1 4.09Å; L211-F215 HydrophobicContact CG-CE2 4.47Å; L211-F215 HydrophobicContact CG-CZ 4.08Å; L211-F215 PolarHBondContact O-N 3.46Å; L211-F215 VanDerWaalsContact O-N 3.07Å; A212-F215 PolarHBondContact O-N 2.82Å; A212-F215 VanDerWaalsContact O-N 3.17Å; E213-F215 VanDerWaalsContact C-N 3.34Å; E213-F215 PolarHBondContact O-N 2.98Å; F215-P225 HydrophobicContact CB-CB 3.69Å; F215-P225 HydrophobicContact CB-CG 4.13Å; F215-P225 HydrophobicContact CD2-CB 4.06Å; F215-P225 HydrophobicContact CG-CB 4.41Å; F215-H229 WeakPolarHBondContact CE1-O 3.49Å; F215-L237 HydrophobicContact CE2-CB 4.21Å; F215-L237 HydrophobicContact CZ-CB 4.03Å; F215-L237 HydrophobicContact CZ-CD1 4.04Å; F215-W239 AromaticContact CD2-CE3 3.85Å; F215-W239 HydrophobicContact CD2-CE3 3.85Å; F215-W239 HydrophobicContact CD2-CZ3 4.37Å; F215-W239 HydrophobicContact CE2-CE3 4.13Å; F215-L242 HydrophobicContact CE2-CD1 3.93Å; F215-L242 HydrophobicContact CZ-CD1 4.32Å
216L96Very high92.6Very high25 Ų2567 Ų6713%0.13135%0.353CS..THydrogen-bonded Turntrans-89.30.1-178.6-70.4168.7000114A212 E213 E214 E218 E219 Q222 P225A212-L216 WeakPolarHBondContact O-CB 3.36Å; A212-L216 WeakPolarHBondContact O-CD1 3.29Å; A212-L216 WeakPolarHBondContact O-CG 3.44Å; A212-L216 PolarHBondContact O-N 3.27Å; E213-L216 PolarHBondContact O-N 3.18Å; E214-L216 VanDerWaalsContact C-N 3.32Å; L216-E218 PolarHBondContact O-N 2.92Å; L216-E218 VanDerWaalsContact O-N 3.13Å; L216-E219 HydrophobicContact CD2-CB 4.43Å; L216-E219 CarbonylContact O-C 3.53Å; L216-E219 PolarHBondContact O-N 2.98Å; L216-Q222 HydrophobicContact CD2-CB 3.68Å; L216-P225 HydrophobicContact CD1-CG 4.03Å; L216-P225 HydrophobicContact CD2-CB 4.39Å; L216-P225 HydrophobicContact CD2-CG 4.38Å; L216-P225 HydrophobicContact CG-CB 4.29Å; L216-P225 HydrophobicContact CG-CG 3.9Å
217R93.9Very high92.5Very high153 Ų15372.4 Ų72.458%0.57738%0.378SS*.THydrogen-bonded Turntrans-51.4-40.2-176.2-175.6-179.6-71.4135.12.8113.3E213 E214E213-R217 PolarHBondContact O-N 3.11Å; E214-R217 VanDerWaalsContact CD-NH2 3.27Å; E214-R217 IonicContact OE1-CZ 3.36Å; E214-R217 IonicContact OE1-NH1 2.71Å; E214-R217 PolarHBondContact OE1-NH1 3.2Å; E214-R217 IonicContact OE1-NH2 3.33Å; E214-R217 PolarHBondContact OE1-NH2 3.19Å; E214-R217 IonicContact OE2-CZ 3.44Å; E214-R217 IonicContact OE2-NH1 3.59Å; E214-R217 IonicContact OE2-NH2 2.63Å; E214-R217 PolarHBondContact OE2-NH2 3.08Å
218E91.7Very high92.5Very high165 Ų16571.8 Ų71.877%0.77138%0.379SS*.THydrogen-bonded Turntrans-92.6-1.2-179-55.8-57140.300113.6L216 P220L216-E218 PolarHBondContact O-N 2.92Å; L216-E218 VanDerWaalsContact O-N 3.13Å; E218-P220 WeakPolarHBondContact O-CD 3.42Å
219E91.8Very high92.7Very high68 Ų6874.9 Ų74.932%0.31839%0.392SS..SBendtrans-12360.7-179.4-65-169.292.500111.5R122 L216 G221 Q222R122-E219 IonicContact CZ-OE1 3.15Å; R122-E219 IonicContact CZ-OE2 3.91Å; R122-E219 IonicContact NH1-OE1 2.8Å; R122-E219 PolarHBondContact NH1-OE1 3.48Å; R122-E219 IonicContact NH1-OE2 2.74Å; R122-E219 IonicContact NH2-OE1 3.96Å; R122-E219 IonicContact NH2-OE2 3.77Å; R122-E219 PolarHBondContact NH2-OE2 2.71Å; L216-E219 HydrophobicContact CD2-CB 4.43Å; L216-E219 CarbonylContact O-C 3.53Å; L216-E219 PolarHBondContact O-N 2.98Å; E219-G221 PolarHBondContact O-N 3.28Å; E219-Q222 HydrophobicContact CB-CB 4.21Å; E219-Q222 HydrophobicContact CB-CG 3.9Å; E219-Q222 WeakPolarHBondContact O-CB 3.38Å; E219-Q222 PolarHBondContact O-N 3.05Å; E219-Q222 VanDerWaalsContact O-N 3.13Å
220P84.4Confident92.9Very high119 Ų11969.6 Ų69.677%0.77337%0.365SS*.THydrogen-bonded Turntrans-59130.3-177.525.7-34.2000111E218E218-P220 WeakPolarHBondContact O-CD 3.42Å
221G87.9Confident92.9Very high74 Ų7469.7 Ų69.776%0.76337%0.365SS*.THydrogen-bonded Turntrans94.3-6.5-178.900000115.1E219E219-G221 PolarHBondContact O-N 3.28Å
222Q92.6Very high92.9Very high85 Ų8572 Ų7240%0.39738%0.381SS..  trans-82.9144.5166.8-61.1-57.7-40.300110.5L216 E219L216-Q222 HydrophobicContact CD2-CB 3.68Å; E219-Q222 HydrophobicContact CB-CB 4.21Å; E219-Q222 HydrophobicContact CB-CG 3.9Å; E219-Q222 WeakPolarHBondContact O-CB 3.38Å; E219-Q222 PolarHBondContact O-N 3.05Å; E219-Q222 VanDerWaalsContact O-N 3.13Å
223L90Very high92.9Very high155 Ų15573.3 Ų73.381%0.81239%0.389SS*.SBendtrans-101.9-27.8-179.2-63.2177.6000113.3
224L91.6Very high93Very high79 Ų7974.1 Ų74.141%0.41439%0.39SS..SBendtrans-117.3121-176.7-65.9177.3000108.6R122 L123R122-L224 HydrophobicContact CB-CB 4.4Å; R122-L224 PolarHBondContact NE-O 3.03Å; R122-L224 PolarHBondContact NH2-O 2.94Å; L123-L224 HydrophobicContact CD2-CD1 4.4Å
225P93.4Very high92.9Very high2 Ų276.2 Ų76.21%0.01340%0.399CS..  trans-63.5150.9171.8-12.623.7000111.4A212 F215 L216 W239A212-P225 HydrophobicContact CB-CG 3.77Å; F215-P225 HydrophobicContact CB-CB 3.69Å; F215-P225 HydrophobicContact CB-CG 4.13Å; F215-P225 HydrophobicContact CD2-CB 4.06Å; F215-P225 HydrophobicContact CG-CB 4.41Å; L216-P225 HydrophobicContact CD1-CG 4.03Å; L216-P225 HydrophobicContact CD2-CB 4.39Å; L216-P225 HydrophobicContact CD2-CG 4.38Å; L216-P225 HydrophobicContact CG-CB 4.29Å; L216-P225 HydrophobicContact CG-CG 3.9Å; P225-W239 HydrophobicContact CB-CB 4.05Å; P225-W239 HydrophobicContact CB-CD2 3.79Å; P225-W239 HydrophobicContact CB-CE3 3.88Å; P225-W239 HydrophobicContact CB-CG 3.85Å; P225-W239 HydrophobicContact CG-CD2 3.57Å; P225-W239 HydrophobicContact CG-CE3 3.64Å; P225-W239 HydrophobicContact CG-CG 4.07Å; P225-W239 HydrophobicContact CG-CH2 4.21Å; P225-W239 HydrophobicContact CG-CZ2 4.15Å; P225-W239 HydrophobicContact CG-CZ3 3.96Å; P225-W239 WeakPolarHBondContact O-CB 3.49Å; P225-W239 VanDerWaalsContact O-CD1 3.25Å; P225-W239 VanDerWaalsContact O-CG 3.26Å
226L92.2Very high92.8Very high38 Ų3878.4 Ų78.420%0.19942%0.416CS..  trans-96.2-51.2169.2-75.3177.8000110.7R122 H145 W239R122-L226 HydrophobicContact CB-CD2 3.89Å; R122-L226 HydrophobicContact CG-CD2 4Å; R122-L226 HydrophobicContact CG-CG 4.27Å; H145-L226 WeakPolarHBondContact CE1-CD2 3.44Å; L226-W239 WeakPolarHBondContact O-CB 3.43Å; L226-W239 PolarHBondContact O-N 3.22Å
227E91.8Very high92.6Very high113 Ų11377.5 Ų77.553%0.52841%0.412SS..EExtended strand (participates in β ladder)trans-152.3166.6-177.463.3-176.9-166.100110L237 L238E227-L237 CarbonylContact C-O 3.59Å; E227-L237 WeakPolarHBondContact CA-O 3.37Å; E227-L237 WeakPolarHBondContact CB-O 3.45Å; E227-L238 HydrophobicContact CB-CD2 3.98Å
228G92.8Very high92.5Very high12 Ų1273.6 Ų73.612%0.12440%0.402CS..EExtended strand (participates in β ladder)trans-171.5176.5174.600000111.5L237G228-L237 PolarHBondContact N-O 3.46Å; G228-L237 PolarHBondContact O-N 3.31Å
229H95.4Very high92.5Very high129 Ų12966.5 Ų66.560%0.59737%0.368SS*.EExtended strand (participates in β ladder)trans-100.5131.6177.9-6684000109.8F215 P231 K234F215-H229 WeakPolarHBondContact CE1-O 3.49Å; H229-P231 VanDerWaalsContact O-CD 3.31Å; H229-P231 WeakPolarHBondContact O-CD 3.32Å; H229-K234 PolarHBondContact CD2-O 3.42Å
230C95.4Very high92.2Very high0 Ų064.3 Ų64.30%036%0.363CS..  trans-55.6123.7176.4177.80000110.9S232 C233 K234 K235 L237C230-S232 PolarHBondContact O-N 2.84Å; C230-S232 VanDerWaalsContact O-N 3.14Å; C230-S232 PolarHBondContact SG-N 3.19Å; C230-C233 VanDerWaalsContact CB-SG 3.51Å; C230-C233 PolarHBondContact SG-N 3.09Å; C230-C233 VanDerWaalsContact SG-N 3.38Å; C230-K234 WeakPolarHBondContact O-CA 3.46Å; C230-K234 PolarHBondContact O-N 2.82Å; C230-K235 PolarHBondContact N-O 3.39Å; C230-L237 HydrophobicContact CB-CD1 3.61Å; C230-L237 HydrophobicContact CB-CG 4.12Å
231P95.1Very high92.1Very high29 Ų2961.5 Ų61.519%0.18835%0.347CS..THydrogen-bonded Turntrans-56.9-31.8177.9-28.835.3000113.8L183 L204 L211 E214 H229 K234L183-P231 HydrophobicContact CD2-CB 4.06Å; L183-P231 HydrophobicContact CD2-CG 3.87Å; L204-P231 HydrophobicContact CD1-CB 4.21Å; L204-P231 HydrophobicContact CD1-CG 4.14Å; L211-P231 HydrophobicContact CD1-CG 4.04Å; E214-P231 HydrophobicContact CG-CG 4.22Å; H229-P231 VanDerWaalsContact O-CD 3.31Å; H229-P231 WeakPolarHBondContact O-CD 3.32Å; P231-K234 WeakPolarHBondContact O-CE 3.47Å; P231-K234 PolarHBondContact O-NZ 3.49Å
232S94.4Very high92Very high48 Ų4858.1 Ų58.134%0.33631%0.311SS..THydrogen-bonded Turntrans-87.4-54.2-177.5-51.30000113.8L204 C230L204-S232 WeakPolarHBondContact CD1-OG 3.47Å; C230-S232 PolarHBondContact O-N 2.84Å; C230-S232 VanDerWaalsContact O-N 3.14Å; C230-S232 PolarHBondContact SG-N 3.19Å
233C95.4Very high91.6Very high41 Ų4155.6 Ų55.628%0.27730%0.3SS..THydrogen-bonded Turntrans-101.9-2.2-175.272.50000114.8C202 C230 K235C202-C233 HydrophobicContact CB-CB 4.32Å; C202-C233 VanDerWaalsContact SG-SG 3.62Å; C230-C233 VanDerWaalsContact CB-SG 3.51Å; C230-C233 PolarHBondContact SG-N 3.09Å; C230-C233 VanDerWaalsContact SG-N 3.38Å; C233-K235 PolarHBondContact O-N 3.22Å
234K95.5Very high90.6Very high145 Ų14549.7 Ų49.763%0.6328%0.277SS*.  trans60.13.2179.5-50.9-54.4-173.5-168.20116.2H229 C230 P231H229-K234 PolarHBondContact CD2-O 3.42Å; C230-K234 WeakPolarHBondContact O-CA 3.46Å; C230-K234 PolarHBondContact O-N 2.82Å; P231-K234 WeakPolarHBondContact O-CE 3.47Å; P231-K234 PolarHBondContact O-NZ 3.49Å
235K94.5Very high89.3Confident103 Ų10351 Ų5145%0.44828%0.281SS..  trans-72.2149.9174.3-63.1178.9-179179.20110.8H199 C230 C233H199-K235 HydrophobicContact CB-CD 4.01Å; H199-K235 VanDerWaalsContact CG-CD 3.41Å; H199-K235 WeakPolarHBondContact ND1-CD 3.13Å; H199-K235 WeakPolarHBondContact NE2-CB 3.49Å; C230-K235 PolarHBondContact N-O 3.39Å; C233-K235 PolarHBondContact O-N 3.22Å
236S93.4Very high87.4Confident64 Ų6452.2 Ų52.245%0.44829%0.289SS..EExtended strand (participates in β ladder)trans-63.7142.9173.8178.60000111.1H199H199-S236 PolarHBondContact NE2-O 3.33Å
237L92.2Very high85.4Confident6 Ų656.1 Ų56.13%0.03131%0.306CS..EExtended strand (participates in β ladder)trans-134.4134179.6-65.3-179.8000109.2P198 L204 F215 E227 G228 C230 L242P198-L237 HydrophobicContact CG-CD2 3.91Å; L204-L237 HydrophobicContact CD2-CD1 4.42Å; F215-L237 HydrophobicContact CE2-CB 4.21Å; F215-L237 HydrophobicContact CZ-CB 4.03Å; F215-L237 HydrophobicContact CZ-CD1 4.04Å; E227-L237 CarbonylContact C-O 3.59Å; E227-L237 WeakPolarHBondContact CA-O 3.37Å; E227-L237 WeakPolarHBondContact CB-O 3.45Å; G228-L237 PolarHBondContact N-O 3.46Å; G228-L237 PolarHBondContact O-N 3.31Å; C230-L237 HydrophobicContact CB-CD1 3.61Å; C230-L237 HydrophobicContact CB-CG 4.12Å; L237-L242 HydrophobicContact CB-CD1 4.19Å; L237-L242 HydrophobicContact CD1-CD1 4.2Å; L237-L242 HydrophobicContact CD1-CD2 4.28Å; L237-L242 HydrophobicContact CD2-CD2 4.44Å
238L91Very high83Confident70 Ų7053.8 Ų53.837%0.36630%0.3SS..EExtended strand (participates in β ladder)trans-90.1129.2168.8-65.2178.5000109.2H145 E227 G240 S241 L242H145-L238 HydrophobicContact CB-CD2 4.4Å; E227-L238 HydrophobicContact CB-CD2 3.98Å; L238-G240 VanDerWaalsContact C-N 3.31Å; L238-G240 PolarHBondContact O-N 2.94Å; L238-S241 PolarHBondContact O-N 3.08Å; L238-S241 VanDerWaalsContact O-N 3.14Å; L238-L242 PolarHBondContact O-N 3.18Å
239W91.5Very high80.4Confident16 Ų1657.7 Ų57.76%0.06132%0.317CS..Hα-helixtrans-57.9-45.3-178.4-176.3-107.8000111.8L195 I208 L211 A212 F215 P225 L226 S241 L242 I243L195-W239 HydrophobicContact CD1-CH2 3.68Å; L195-W239 HydrophobicContact CD1-CZ3 3.83Å; I208-W239 HydrophobicContact CD1-CZ2 4.4Å; I208-W239 HydrophobicContact CG1-CH2 3.93Å; I208-W239 HydrophobicContact CG1-CZ2 3.94Å; L211-W239 HydrophobicContact CB-CZ3 4.33Å; L211-W239 HydrophobicContact CD2-CZ3 4.39Å; L211-W239 HydrophobicContact CG-CZ3 4.22Å; A212-W239 HydrophobicContact CB-CH2 3.55Å; A212-W239 HydrophobicContact CB-CZ2 3.98Å; A212-W239 HydrophobicContact CB-CZ3 4.14Å; F215-W239 AromaticContact CD2-CE3 3.85Å; F215-W239 HydrophobicContact CD2-CE3 3.85Å; F215-W239 HydrophobicContact CD2-CZ3 4.37Å; F215-W239 HydrophobicContact CE2-CE3 4.13Å; P225-W239 HydrophobicContact CB-CB 4.05Å; P225-W239 HydrophobicContact CB-CD2 3.79Å; P225-W239 HydrophobicContact CB-CE3 3.88Å; P225-W239 HydrophobicContact CB-CG 3.85Å; P225-W239 HydrophobicContact CG-CD2 3.57Å; P225-W239 HydrophobicContact CG-CE3 3.64Å; P225-W239 HydrophobicContact CG-CG 4.07Å; P225-W239 HydrophobicContact CG-CH2 4.21Å; P225-W239 HydrophobicContact CG-CZ2 4.15Å; P225-W239 HydrophobicContact CG-CZ3 3.96Å; P225-W239 WeakPolarHBondContact O-CB 3.49Å; P225-W239 VanDerWaalsContact O-CD1 3.25Å; P225-W239 VanDerWaalsContact O-CG 3.26Å; L226-W239 WeakPolarHBondContact O-CB 3.43Å; L226-W239 PolarHBondContact O-N 3.22Å; W239-S241 PolarHBondContact O-N 2.93Å; W239-L242 HydrophobicContact CE3-CD1 4.26Å; W239-L242 WeakPolarHBondContact O-CB 3.4Å; W239-L242 PolarHBondContact O-N 3.41Å; W239-I243 HydrophobicContact CD2-CG2 4.28Å; W239-I243 HydrophobicContact CZ2-CG2 3.82Å; W239-I243 PolarHBondContact O-N 3.16Å; W239-I243 VanDerWaalsContact O-N 3.1Å
240G84.9Confident77.5Confident22 Ų2254.5 Ų54.523%0.22731%0.313CS..Hα-helixtrans-53.7-39.4176.900000114.2P124 L238 L242 I243 G244P124-G240 VanDerWaalsContact CB-CA 3.48Å; L238-G240 VanDerWaalsContact C-N 3.31Å; L238-G240 PolarHBondContact O-N 2.94Å; G240-L242 VanDerWaalsContact C-N 3.34Å; G240-I243 WeakPolarHBondContact O-CG1 3.39Å; G240-G244 PolarHBondContact O-N 2.92Å; G240-G244 VanDerWaalsContact O-N 3.16Å
241S82.5Confident74.7Confident61 Ų6162.8 Ų62.843%0.42735%0.352SS..Hα-helixtrans-72.2-28.5178.7-56.20000112.6L238 W239 Q245L238-S241 PolarHBondContact O-N 3.08Å; L238-S241 VanDerWaalsContact O-N 3.14Å; W239-S241 PolarHBondContact O-N 2.93Å; S241-Q245 WeakPolarHBondContact O-CG 3.28Å; S241-Q245 PolarHBondContact O-NE2 2.76Å
242L86.7Confident71.9Confident3 Ų368.8 Ų68.82%0.01638%0.378CS..Hα-helixtrans-74.6-49.5177.8-63.3172000111.1C196 P198 L211 F215 L237 L238 W239 G240 G244 Q245 C246C196-L242 WeakPolarHBondContact O-CD2 3.27Å; P198-L242 HydrophobicContact CG-CD2 4.46Å; L211-L242 HydrophobicContact CD2-CD1 3.88Å; F215-L242 HydrophobicContact CE2-CD1 3.93Å; F215-L242 HydrophobicContact CZ-CD1 4.32Å; L237-L242 HydrophobicContact CB-CD1 4.19Å; L237-L242 HydrophobicContact CD1-CD1 4.2Å; L237-L242 HydrophobicContact CD1-CD2 4.28Å; L237-L242 HydrophobicContact CD2-CD2 4.44Å; L238-L242 PolarHBondContact O-N 3.18Å; W239-L242 HydrophobicContact CE3-CD1 4.26Å; W239-L242 WeakPolarHBondContact O-CB 3.4Å; W239-L242 PolarHBondContact O-N 3.41Å; G240-L242 VanDerWaalsContact C-N 3.34Å; L242-G244 VanDerWaalsContact C-N 3.35Å; L242-G244 PolarHBondContact O-N 2.77Å; L242-Q245 PolarHBondContact O-N 3.45Å; L242-C246 PolarHBondContact O-N 3.06Å
243I83.1Confident69.2Low31 Ų3172.7 Ų72.716%0.15939%0.391CS..Hα-helixtrans-67.6-35.1-178.161.4177.2000112.2P124 I208 W239 G240 Q245 C246 H247P124-I243 HydrophobicContact CG-CD1 4.4Å; I208-I243 HydrophobicContact CD1-CG2 4.4Å; W239-I243 HydrophobicContact CD2-CG2 4.28Å; W239-I243 HydrophobicContact CZ2-CG2 3.82Å; W239-I243 PolarHBondContact O-N 3.16Å; W239-I243 VanDerWaalsContact O-N 3.1Å; G240-I243 WeakPolarHBondContact O-CG1 3.39Å; I243-Q245 PolarHBondContact O-N 2.86Å; I243-C246 PolarHBondContact O-N 3.04Å; I243-C246 VanDerWaalsContact O-N 3.12Å; I243-H247 PolarHBondContact O-CD2 2.79Å; I243-H247 PolarHBondContact O-N 2.93Å; I243-H247 VanDerWaalsContact O-N 3.14Å
244G70.8Confident66.2Low32 Ų3277.8 Ų77.833%0.3341%0.41SS..Hα-helixtrans-62.2-27175.500000113.4G240 L242G240-G244 PolarHBondContact O-N 2.92Å; G240-G244 VanDerWaalsContact O-N 3.16Å; L242-G244 VanDerWaalsContact C-N 3.35Å; L242-G244 PolarHBondContact O-N 2.77Å
245Q63.6Low63.3Low107 Ų10778.6 Ų78.650%0.542%0.422SS..Hα-helixtrans-82.7-18.5177.3-69.9170.958.200113.3S241 L242 I243S241-Q245 WeakPolarHBondContact O-CG 3.28Å; S241-Q245 PolarHBondContact O-NE2 2.76Å; L242-Q245 PolarHBondContact O-N 3.45Å; I243-Q245 PolarHBondContact O-N 2.86Å
246C52.7Low60.3Low27 Ų2779.3 Ų79.318%0.18243%0.43CS..Hα-helixtrans-101.7-23.2-175.2-68.90000113.5L195 L242 I243 V248L195-C246 HydrophobicContact CD2-CB 3.83Å; L195-C246 WeakPolarHBondContact CD2-SG 3.21Å; L242-C246 PolarHBondContact O-N 3.06Å; I243-C246 PolarHBondContact O-N 3.04Å; I243-C246 VanDerWaalsContact O-N 3.12Å; C246-V248 PolarHBondContact O-N 2.95Å
247H49.8Very low57.5Low119 Ų11979.1 Ų79.155%0.55144%0.438SS*.THydrogen-bonded Turntrans-74.561.2172.4-74.6-69000112.1I243I243-H247 PolarHBondContact O-CD2 2.79Å; I243-H247 PolarHBondContact O-N 2.93Å; I243-H247 VanDerWaalsContact O-N 3.14Å
248V41.2Very low54.8Low65 Ų6584.9 Ų84.939%0.39447%0.468SS..THydrogen-bonded Turntrans-88.9-23.5169.6-177.50000111.3C246C246-V248 PolarHBondContact O-N 2.95Å
249D39.2Very low52.2Low93 Ų9389.2 Ų89.250%0.49749%0.487SS..  trans-143.3107.5179.9-67.6-58.8000111.4R6R6-D249 IonicContact CZ-OD1 3.74Å; R6-D249 IonicContact NE-OD1 3.66Å; R6-D249 IonicContact NH1-OD1 3.98Å
250A35.1Very low50.2Low62 Ų6292.2 Ų92.251%0.51250%0.501SS..  trans-155.8106159.400000108.8
251E36.2Very low48.1Very low175 Ų17597.9 Ų97.982%0.81852%0.522SS*.  trans49.4120.8159.7-57.9-175.916300118.5E253E251-E253 PolarHBondContact O-N 2.78Å
252E35.8Very low46.5Very low155 Ų15596.6 Ų96.672%0.72451%0.509SS*.  trans-58.787.9159.4-69.5170.3176.900108.4E254E252-E254 PolarHBondContact O-N 3.1Å
253E38.6Very low44.7Very low129 Ų129105.9 Ų105.960%0.60354%0.544SS*.  trans-61.4100141.3-94.3177.816200104.2R9 E251 D255R9-E253 IonicContact CZ-OE2 3.22Å; R9-E253 IonicContact NH1-OE2 2.7Å; R9-E253 PolarHBondContact NH1-OE2 3.13Å; R9-E253 VanDerWaalsContact NH1-OE2 3.15Å; R9-E253 IonicContact NH2-OE2 3.65Å; R9-E253 PolarHBondContact NH2-OE2 3.2Å; E251-E253 PolarHBondContact O-N 2.78Å; E253-D255 PolarHBondContact O-N 3.04Å
254E32.3Very low42.9Very low149 Ų149105.4 Ų105.470%0.69654%0.542SS*.  trans-34.1137.4165.9-78.3178.9152.100108.1E252 L256E252-E254 PolarHBondContact O-N 3.1Å; E254-L256 PolarHBondContact O-N 3.01Å
255D34.5Very low41.8Very low162 Ų162107.4 Ų107.487%0.86655%0.546SS*.  trans-58.267.9159.9-171.838000107.4E253 G257E253-D255 PolarHBondContact O-N 3.04Å; D255-G257 PolarHBondContact O-N 2.98Å
256L32.3Very low40.6Very low117 Ų117107.2 Ų107.261%0.61355%0.547SS*.  trans-55.4100.3148.9-64-178.7000100.5E254 L258E254-L256 PolarHBondContact O-N 3.01Å; L256-L258 HydrophobicContact CB-CD2 4.23Å; L256-L258 HydrophobicContact CB-CG 4.18Å; L256-L258 PolarHBondContact O-N 3.36Å
257G34Very low40.3Very low60 Ų60112 Ų11262%0.61957%0.571SS**  trans-53.675152.100000105.9D255 E259D255-G257 PolarHBondContact O-N 2.98Å; G257-E259 PolarHBondContact O-N 3.41Å
258L34.7Very low39.8Very low128 Ų128113 Ų11367%0.6758%0.575SS**  trans-58.390.4158.8-67.1178.7000100.4L256 E260L256-L258 HydrophobicContact CB-CD2 4.23Å; L256-L258 HydrophobicContact CB-CG 4.18Å; L256-L258 PolarHBondContact O-N 3.36Å; L258-E260 VanDerWaalsContact C-N 3.3Å; L258-E260 PolarHBondContact O-N 3.39Å
259E37.3Very low39.6Very low161 Ų161119.1 Ų119.175%0.75261%0.613SS**  trans-39.2111.7159.5-71.9-177.9144.400103.3G257 E261G257-E259 PolarHBondContact O-N 3.41Å; E259-E261 HydrophobicContact CB-CG 4.34Å; E259-E261 PolarHBondContact O-N 3.16Å
260E49Very low39.6Very low79 Ų79120.5 Ų120.537%0.36962%0.619SS.*  trans-70.145.1-174.5-67.2173.816200108.7R37 R38 L258 H262R37-E260 IonicContact NH2-OE1 2.78Å; R38-E260 IonicContact CZ-OE2 3.3Å; R38-E260 IonicContact NE-OE2 3.62Å; R38-E260 IonicContact NH1-OE2 2.93Å; R38-E260 PolarHBondContact NH1-OE2 2.94Å; R38-E260 IonicContact NH2-OE2 3.59Å; L258-E260 VanDerWaalsContact C-N 3.3Å; L258-E260 PolarHBondContact O-N 3.39Å; E260-H262 PolarHBondContact O-N 3.48Å; E260-H262 VanDerWaalsContact O-N 3.11Å
261E40.7Very low39.8Very low140 Ų140123.5 Ų123.565%0.65463%0.625SS**  trans-67.1101.2160.5-61.6-148.5150.800105.9E259 W263E259-E261 HydrophobicContact CB-CG 4.34Å; E259-E261 PolarHBondContact O-N 3.16Å; E261-W263 PolarHBondContact O-N 3.28Å
262H49.8Very low40Very low34 Ų34120.7 Ų120.716%0.15761%0.614CS.*  trans-57.895.9178.7-168.853.7000107.8E79 Q83 E260 T264 D265E79-H262 IonicContact OE1-CE1 3.63Å; E79-H262 PolarHBondContact OE1-CE1 2.99Å; E79-H262 IonicContact OE1-ND1 2.8Å; E79-H262 IonicContact OE2-CE1 3.95Å; Q83-H262 PolarHBondContact NE2-CE1 3.19Å; Q83-H262 PolarHBondContact NE2-NE2 3.38Å; E260-H262 PolarHBondContact O-N 3.48Å; E260-H262 VanDerWaalsContact O-N 3.11Å; H262-T264 PolarHBondContact CD2-OG1 3.02Å; H262-T264 PolarHBondContact CE1-OG1 2.92Å; H262-T264 PolarHBondContact ND1-OG1 2.77Å; H262-T264 VanDerWaalsContact ND1-OG1 3.08Å; H262-T264 PolarHBondContact NE2-OG1 3.38Å; H262-T264 PolarHBondContact O-N 2.86Å; H262-D265 IonicContact CD2-OD1 3.78Å; H262-D265 IonicContact CD2-OD2 3.59Å; H262-D265 WeakPolarHBondContact O-CB 3.47Å; H262-D265 PolarHBondContact O-N 3.07Å
263W47.7Very low40.3Very low198 Ų198118.6 Ų118.675%0.7561%0.608SS**G310 helixtrans-50.8-22.4-178.1-73.3100.9000113.9E261 L266E261-W263 PolarHBondContact O-N 3.28Å; W263-L266 HydrophobicContact CD2-CD1 4.42Å; W263-L266 HydrophobicContact CE3-CD1 3.51Å; W263-L266 HydrophobicContact CZ3-CD1 3.76Å; W263-L266 WeakPolarHBondContact O-CB 3.42Å; W263-L266 PolarHBondContact O-N 3.25Å
264T45.7Very low40.4Very low21 Ų21118 Ų11813%0.12961%0.608CS.*G310 helixtrans-68.4-26.3172.133.30000114.6H262 L266 L267H262-T264 PolarHBondContact CD2-OG1 3.02Å; H262-T264 PolarHBondContact CE1-OG1 2.92Å; H262-T264 PolarHBondContact ND1-OG1 2.77Å; H262-T264 VanDerWaalsContact ND1-OG1 3.08Å; H262-T264 PolarHBondContact NE2-OG1 3.38Å; H262-T264 PolarHBondContact O-N 2.86Å; T264-L266 PolarHBondContact O-N 2.98Å; T264-L267 PolarHBondContact O-N 2.98Å
265D47.2Very low40.9Very low75 Ų75115.9 Ų115.940%0.40160%0.602SS.*G310 helixtrans-68.9-16.9171.2-73-23.5000111.7H262H262-D265 IonicContact CD2-OD1 3.78Å; H262-D265 IonicContact CD2-OD2 3.59Å; H262-D265 WeakPolarHBondContact O-CB 3.47Å; H262-D265 PolarHBondContact O-N 3.07Å
266L40Very low41.4Very low102 Ų102112.6 Ų112.653%0.53458%0.583SS.*G310 helixtrans-89.5-8.7176.2-66.3165.3000113.5W263 T264W263-L266 HydrophobicContact CD2-CD1 4.42Å; W263-L266 HydrophobicContact CE3-CD1 3.51Å; W263-L266 HydrophobicContact CZ3-CD1 3.76Å; W263-L266 WeakPolarHBondContact O-CB 3.42Å; W263-L266 PolarHBondContact O-N 3.25Å; T264-L266 PolarHBondContact O-N 2.98Å
267L45.5Very low42.1Very low129 Ų129112.3 Ų112.368%0.67558%0.581SS**SBendtrans-94.1-2.2-177.9-65.2175.4000113.5T264T264-L267 PolarHBondContact O-N 2.98Å
268E40Very low42.8Very low138 Ų138116.7 Ų116.765%0.64558%0.578SS**  trans-104.152.5175.5-67.4-174.8172.900111.6
269T36Very low43.5Very low195 Ų195115.6 Ų115.6100%1.19657%0.569SS**  trans-103.40162.458.20000111.3

Retrieved 269 of 269 residues in 102.1 ms (Link to these results)

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