A0A077Z6Z8_TRITR Loading...

Bifunctional purine biosynthesis protein ATIC

AlphaFold DB , UniProt , Accession A0A077Z6Z8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 601 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M37.2Very low41.9Very low175 Ų175103.6 Ų103.686%0.86255%0.549SS*.  0-57.40-107.6-175.9-79.400112.7A3 F4 V5 L89M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.43Å; M1-F4 WeakPolarHBondContact O-CA 3.27Å; M1-F4 WeakPolarHBondContact O-CB 3.22Å; M1-F4 PolarHBondContact O-N 2.74Å; M1-V5 PolarHBondContact O-N 2.75Å; M1-L89 HydrophobicContact SD-CD2 4.48Å
2V37.2Very low42.9Very low128 Ų12899.7 Ų99.778%0.77653%0.528SS*.Hα-helixtrans-55.1-44.3174.7178.40000112.6F4 V5 S6V2-F4 PolarHBondContact O-N 3.18Å; V2-V5 PolarHBondContact O-N 2.71Å; V2-S6 VanDerWaalsContact O-CB 3.3Å; V2-S6 WeakPolarHBondContact O-CB 3.47Å; V2-S6 PolarHBondContact O-N 3.33Å
3A38.7Very low44.1Very low60 Ų6099.9 Ų99.950%0.49653%0.529SS..Hα-helixtrans-66-22.2174.200000114.3M1 R7M1-A3 VanDerWaalsContact C-N 3.32Å; M1-A3 PolarHBondContact O-N 3.43Å; A3-R7 WeakPolarHBondContact O-CB 3.23Å; A3-R7 VanDerWaalsContact O-CG 3.23Å; A3-R7 WeakPolarHBondContact O-CG 3.2Å; A3-R7 PolarHBondContact O-N 3.37Å; A3-R7 VanDerWaalsContact O-N 3.17Å
4F40.3Very low46.4Very low134 Ų13494.1 Ų94.159%0.58850%0.5SS*.Hα-helixtrans-83.1-41.6177.4-176.3-102.4000110.8M1 V2 R7 L8M1-F4 WeakPolarHBondContact O-CA 3.27Å; M1-F4 WeakPolarHBondContact O-CB 3.22Å; M1-F4 PolarHBondContact O-N 2.74Å; V2-F4 PolarHBondContact O-N 3.18Å; F4-R7 PolarHBondContact O-N 3.13Å; F4-L8 HydrophobicContact CD1-CD1 3.67Å; F4-L8 HydrophobicContact CE1-CD1 3.28Å; F4-L8 HydrophobicContact CE1-CG 4.4Å; F4-L8 HydrophobicContact CG-CD1 4.49Å; F4-L8 HydrophobicContact CZ-CD1 3.83Å; F4-L8 WeakPolarHBondContact O-CB 3.36Å; F4-L8 PolarHBondContact O-N 2.97Å
5V45.1Very low49Very low49 Ų4989.1 Ų89.130%0.29747%0.473SS..Hα-helixtrans-62.8-44.6171.6177.50000110.4M1 V2 R7 L8 T9 L89M1-V5 PolarHBondContact O-N 2.75Å; V2-V5 PolarHBondContact O-N 2.71Å; V5-R7 PolarHBondContact O-N 3.23Å; V5-L8 PolarHBondContact O-N 2.93Å; V5-T9 PolarHBondContact O-N 3.17Å; V5-T9 PolarHBondContact O-OG1 3.05Å; V5-L89 HydrophobicContact CG2-CD1 4.24Å
6S42.6Very low51.6Low60 Ų6083.6 Ų83.642%0.4244%0.444SS..Hα-helixtrans-59.2-42.9174.4163.20000112.6V2 T9 D10V2-S6 VanDerWaalsContact O-CB 3.3Å; V2-S6 WeakPolarHBondContact O-CB 3.47Å; V2-S6 PolarHBondContact O-N 3.33Å; S6-T9 VanDerWaalsContact C-OG1 3.28Å; S6-T9 VanDerWaalsContact CA-OG1 3.25Å; S6-T9 WeakPolarHBondContact CA-OG1 3.43Å; S6-T9 PolarHBondContact O-N 3.36Å; S6-T9 PolarHBondContact O-OG1 2.92Å; S6-D10 PolarHBondContact O-N 2.81Å; S6-D10 VanDerWaalsContact O-N 3.07Å
7R39.1Very low53.8Low178 Ų17878.8 Ų78.867%0.67242%0.418SS*.Hα-helixtrans-68.2-36.3174.7-76.6179.9-152.5-151.94.5113A3 F4 V5 D10 L11A3-R7 WeakPolarHBondContact O-CB 3.23Å; A3-R7 VanDerWaalsContact O-CG 3.23Å; A3-R7 WeakPolarHBondContact O-CG 3.2Å; A3-R7 PolarHBondContact O-N 3.37Å; A3-R7 VanDerWaalsContact O-N 3.17Å; F4-R7 PolarHBondContact O-N 3.13Å; V5-R7 PolarHBondContact O-N 3.23Å; R7-D10 PolarHBondContact O-N 3.06Å; R7-L11 PolarHBondContact O-N 3.48Å; R7-L11 VanDerWaalsContact O-N 3.09Å
8L45.1Very low56Low56 Ų5674.4 Ų74.429%0.29340%0.395SS..Hα-helixtrans-66.3-39.8174.8-93160.4000111.8F4 V5 D10 L11 L12F4-L8 HydrophobicContact CD1-CD1 3.67Å; F4-L8 HydrophobicContact CE1-CD1 3.28Å; F4-L8 HydrophobicContact CE1-CG 4.4Å; F4-L8 HydrophobicContact CG-CD1 4.49Å; F4-L8 HydrophobicContact CZ-CD1 3.83Å; F4-L8 WeakPolarHBondContact O-CB 3.36Å; F4-L8 PolarHBondContact O-N 2.97Å; V5-L8 PolarHBondContact O-N 2.93Å; L8-D10 VanDerWaalsContact C-N 3.27Å; L8-D10 PolarHBondContact O-N 3.41Å; L8-L11 PolarHBondContact O-N 3.16Å; L8-L12 WeakPolarHBondContact O-CG 3.26Å; L8-L12 PolarHBondContact O-N 3.04Å; L8-L12 VanDerWaalsContact O-N 3.08Å
9T48.2Very low58Low60 Ų6071.2 Ų71.237%0.36838%0.379SS..Hα-helixtrans-66.3-28.917344.70000112.9V5 S6V5-T9 PolarHBondContact O-N 3.17Å; V5-T9 PolarHBondContact O-OG1 3.05Å; S6-T9 VanDerWaalsContact C-OG1 3.28Å; S6-T9 VanDerWaalsContact CA-OG1 3.25Å; S6-T9 WeakPolarHBondContact CA-OG1 3.43Å; S6-T9 PolarHBondContact O-N 3.36Å; S6-T9 PolarHBondContact O-OG1 2.92Å
10D44.2Very low59.8Low98 Ų9868 Ų6852%0.52436%0.362SS..Hα-helixtrans-75.9-22.8172.6-92.4-42000113.6S6 R7 L8 K38S6-D10 PolarHBondContact O-N 2.81Å; S6-D10 VanDerWaalsContact O-N 3.07Å; R7-D10 PolarHBondContact O-N 3.06Å; L8-D10 VanDerWaalsContact C-N 3.27Å; L8-D10 PolarHBondContact O-N 3.41Å; D10-K38 IonicContact OD1-NZ 2.94Å; D10-K38 PolarHBondContact OD1-NZ 3.34Å
11L43.4Very low61.4Low142 Ų14268.7 Ų68.774%0.74336%0.363SS*.Hα-helixtrans-89.3-20.6178.7-91.3151.7000113.5R7 L8R7-L11 PolarHBondContact O-N 3.48Å; R7-L11 VanDerWaalsContact O-N 3.09Å; L8-L11 PolarHBondContact O-N 3.16Å
12L54.1Low64.1Low56 Ų5664 Ų6429%0.29334%0.342SS..SBendtrans-86.7116.2179.3-72.9162.8000110L8 S14 L104L8-L12 WeakPolarHBondContact O-CG 3.26Å; L8-L12 PolarHBondContact O-N 3.04Å; L8-L12 VanDerWaalsContact O-N 3.08Å; L12-S14 PolarHBondContact O-N 2.56Å; L12-L104 HydrophobicContact CD1-CD1 3.93Å
13L58.3Low66.9Low103 Ų10360.9 Ų60.954%0.53932%0.318SS..PPolyproline II helixtrans-51.8122.4171.6-80.1151.9000109.8Q40L13-Q40 HydrophobicContact CD2-CG 4.08Å
14S76.7Confident69.6Low18 Ų1865.5 Ų65.513%0.12633%0.326CS..EExtended strand (participates in β ladder)trans-77.7136.4174.5-65.50000109.1L12 K38 V39 Q40L12-S14 PolarHBondContact O-N 2.56Å; S14-K38 WeakPolarHBondContact CB-O 3.4Å; S14-K38 PolarHBondContact N-O 2.93Å; S14-V39 CarbonylContact O-C 3.48Å; S14-V39 VanDerWaalsContact O-CA 3.3Å; S14-V39 WeakPolarHBondContact O-CA 3.26Å; S14-Q40 PolarHBondContact O-N 3.41Å
15I84.8Confident72.3Confident20 Ų2060.3 Ų60.310%0.10331%0.311CS..EExtended strand (participates in β ladder)trans-109.8139.5176.6-58.7-164.9000110.3I17 Q40 A42 P103 L104 F105 R106 F107I15-I17 HydrophobicContact CG2-CG1 4.47Å; I15-Q40 CarbonylContact C-O 3.56Å; I15-Q40 WeakPolarHBondContact CA-O 3.44Å; I15-A42 HydrophobicContact CG2-CB 3.74Å; I15-P103 HydrophobicContact CD1-CB 3.26Å; I15-P103 HydrophobicContact CD1-CG 3.87Å; I15-P103 HydrophobicContact CG1-CB 3.85Å; I15-L104 PolarHBondContact N-O 3Å; I15-L104 VanDerWaalsContact N-O 3.07Å; I15-F105 HydrophobicContact CB-CD1 3.77Å; I15-F105 HydrophobicContact CB-CE1 4.06Å; I15-F105 HydrophobicContact CG2-CD1 3.8Å; I15-F105 HydrophobicContact CG2-CE1 3.9Å; I15-F105 CarbonylContact O-C 3.58Å; I15-F105 WeakPolarHBondContact O-CA 3.45Å; I15-R106 PolarHBondContact O-N 3.26Å; I15-F107 PolarHBondContact O-N 2.9Å
16A90.1Very high74.7Confident0 Ų058 Ų580%030%0.297CS..EExtended strand (participates in β ladder)trans-102.1118.6162.600000109.5L33 V39 Q40 I41 A42 F107A16-L33 HydrophobicContact CB-CD1 3.96Å; A16-V39 HydrophobicContact CB-CG1 3.56Å; A16-Q40 PolarHBondContact N-O 2.94Å; A16-I41 HydrophobicContact CB-CD1 3.84Å; A16-A42 PolarHBondContact O-N 2.83Å; A16-F107 CarbonylContact C-O 3.49Å; A16-F107 VanDerWaalsContact CA-O 3.32Å; A16-F107 WeakPolarHBondContact CA-O 3.39Å; A16-F107 HydrophobicContact CB-CB 3.75Å
17I90Very high77.3Confident2 Ų256.5 Ų56.51%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-85.9128.4169.2-68.7175.9000108.7I15 A42 V61 I79 F105 F107 V108 V109 L140I15-I17 HydrophobicContact CG2-CG1 4.47Å; I17-A42 CarbonylContact C-O 3.56Å; I17-A42 VanDerWaalsContact CA-O 3.28Å; I17-A42 WeakPolarHBondContact CA-O 3.42Å; I17-A42 HydrophobicContact CG1-CB 4.5Å; I17-V61 HydrophobicContact CG2-CG2 4.28Å; I17-I79 HydrophobicContact CD1-CG2 3.8Å; I17-F105 HydrophobicContact CD1-CD1 3.43Å; I17-F105 VanDerWaalsContact CD1-CD1 3.43Å; I17-F105 HydrophobicContact CD1-CD2 3.96Å; I17-F105 HydrophobicContact CD1-CE1 3.39Å; I17-F105 HydrophobicContact CD1-CE2 3.95Å; I17-F105 HydrophobicContact CD1-CG 3.74Å; I17-F105 HydrophobicContact CD1-CZ 3.67Å; I17-F105 HydrophobicContact CG1-CD1 3.56Å; I17-F105 HydrophobicContact CG1-CE1 3.71Å; I17-F105 HydrophobicContact CG1-CG 4.21Å; I17-F105 HydrophobicContact CG1-CZ 4.46Å; I17-F107 PolarHBondContact N-O 3.16Å; I17-V108 WeakPolarHBondContact O-CA 3.49Å; I17-V109 PolarHBondContact O-N 2.86Å; I17-L140 HydrophobicContact CD1-CD2 4.45Å; I17-L140 HydrophobicContact CG2-CD2 4.05Å
18I93.2Very high80.1Confident0 Ų053.7 Ų53.70%028%0.28CS..EExtended strand (participates in β ladder)trans-123114175.7-48.9-175.5000110.1V20 I26 A30 I41 A42 A43 S44 T47 L51 V109I18-V20 HydrophobicContact CG2-CG1 4.18Å; I18-V20 HydrophobicContact CG2-CG2 4.19Å; I18-I26 HydrophobicContact CD1-CD1 4.29Å; I18-I26 HydrophobicContact CD1-CG1 4.47Å; I18-I26 HydrophobicContact CG2-CD1 3.5Å; I18-I26 VanDerWaalsContact CG2-CD1 3.5Å; I18-I26 HydrophobicContact CG2-CG1 3.71Å; I18-A30 HydrophobicContact CD1-CB 3.99Å; I18-I41 HydrophobicContact CD1-CD1 4.25Å; I18-I41 HydrophobicContact CD1-CG2 3.72Å; I18-I41 HydrophobicContact CG1-CG2 4.11Å; I18-A42 PolarHBondContact N-O 3.49Å; I18-A43 VanDerWaalsContact O-CA 3.23Å; I18-A43 WeakPolarHBondContact O-CA 3.33Å; I18-S44 PolarHBondContact O-N 3.34Å; I18-S44 VanDerWaalsContact O-N 3.15Å; I18-T47 HydrophobicContact CB-CG2 4.14Å; I18-T47 HydrophobicContact CG2-CG2 3.62Å; I18-L51 HydrophobicContact CD1-CD1 4.34Å; I18-V109 WeakPolarHBondContact CA-O 3.28Å; I18-V109 HydrophobicContact CG1-CB 4.32Å; I18-V109 HydrophobicContact CG1-CG2 4.48Å; I18-V109 HydrophobicContact CG2-CB 4.21Å; I18-V109 HydrophobicContact CG2-CG1 4.42Å
19S92.8Very high82.5Confident13 Ų1351 Ų519%0.09127%0.266CS..EExtended strand (participates in β ladder)trans-135.587.1177.7-177.70000109.7S44 V109 C110 N111S19-S44 PolarHBondContact OG-OG 3.11Å; S19-V109 PolarHBondContact N-O 2.91Å; S19-C110 VanDerWaalsContact O-CA 3.24Å; S19-C110 WeakPolarHBondContact O-CA 3.44Å; S19-C110 PolarHBondContact O-SG 3.3Å; S19-N111 PolarHBondContact O-N 2.8Å
20V94.3Very high84.8Confident7 Ų748.2 Ų48.24%0.04225%0.248CC..EExtended strand (participates in β ladder)trans-122.4134.9-173-63.90000112.1I18 D22 K23 I26 T47 V109 N111I18-V20 HydrophobicContact CG2-CG1 4.18Å; I18-V20 HydrophobicContact CG2-CG2 4.19Å; V20-D22 WeakPolarHBondContact CB-O 3.43Å; V20-K23 HydrophobicContact CG2-CG 4.19Å; V20-I26 HydrophobicContact CG1-CD1 4.47Å; V20-I26 HydrophobicContact CG2-CD1 4.39Å; V20-I26 HydrophobicContact CG2-CG1 4.13Å; V20-T47 HydrophobicContact CG2-CG2 3.88Å; V20-T47 PolarHBondContact N-OG1 2.88Å; V20-T47 VanDerWaalsContact N-OG1 3.14Å; V20-T47 PolarHBondContact O-OG1 3.1Å; V20-V109 HydrophobicContact CG1-CG1 4.07Å; V20-N111 WeakPolarHBondContact CA-OD1 3.27Å; V20-N111 WeakPolarHBondContact CB-OD1 3.49Å
21H93.3Very high87.3Confident83 Ų8346.7 Ų46.738%0.38424%0.241SC..SBendtrans-74.7-57.6165.7-173.186.3000110.8K23 N111 F112 Y113 P114H21-K23 PolarHBondContact O-N 3.37Å; H21-K23 PolarHBondContact O-NZ 2.76Å; H21-N111 WeakPolarHBondContact CA-OD1 3.42Å; H21-N111 PolarHBondContact N-OD1 3.22Å; H21-F112 VanDerWaalsContact CB-O 3.26Å; H21-F112 WeakPolarHBondContact CB-O 3.24Å; H21-Y113 HydrophobicContact CB-CD1 4.22Å; H21-Y113 AromaticContact ND1-CD1 3.68Å; H21-P114 WeakPolarHBondContact NE2-CD 3.33Å
22D94.7Very high89.7Confident76 Ų7640.6 Ų40.641%0.40621%0.21SC..  trans-79.8115.7172.2-174.2-4.4000109.7V20 K24 N111 L157V20-D22 WeakPolarHBondContact CB-O 3.43Å; D22-K24 VanDerWaalsContact OD1-CB 3.3Å; D22-K24 WeakPolarHBondContact OD1-CB 3.32Å; D22-K24 PolarHBondContact OD1-N 3.23Å; D22-N111 PolarHBondContact N-OD1 3.29Å; D22-N111 PolarHBondContact O-ND2 2.86Å; D22-L157 HydrophobicContact CB-CD1 4.4Å; D22-L157 HydrophobicContact CB-CD2 4.23Å; D22-L157 WeakPolarHBondContact OD2-CD2 3.2Å
23K95.4Very high91.5Very high64 Ų6437.9 Ų37.928%0.27820%0.196SC..  trans-95.40.7-172.9-64.6154.1-174.375.70112.4V20 H21 G25 I26 G46 H50V20-K23 HydrophobicContact CG2-CG 4.19Å; H21-K23 PolarHBondContact O-N 3.37Å; H21-K23 PolarHBondContact O-NZ 2.76Å; K23-G25 PolarHBondContact O-N 3.03Å; K23-I26 HydrophobicContact CB-CG2 4.19Å; K23-I26 WeakPolarHBondContact O-CB 3.46Å; K23-I26 WeakPolarHBondContact O-CG2 3.36Å; K23-I26 PolarHBondContact O-N 3.2Å; K23-G46 VanDerWaalsContact CE-O 3.25Å; K23-G46 WeakPolarHBondContact CE-O 3.47Å; K23-H50 HydrophobicContact CD-CB 4.02Å
24K96Very high93.2Very high156 Ų15635.5 Ų35.568%0.67818%0.184SC*.THydrogen-bonded Turntrans-58.1131.8179.7-178.1-179.5-179.1-177.10110.4D22 I26 L157 Y160D22-K24 VanDerWaalsContact OD1-CB 3.3Å; D22-K24 WeakPolarHBondContact OD1-CB 3.32Å; D22-K24 PolarHBondContact OD1-N 3.23Å; K24-I26 PolarHBondContact O-N 3.33Å; K24-L157 HydrophobicContact CB-CD2 3.71Å; K24-L157 HydrophobicContact CG-CD2 4.45Å; K24-L157 VanDerWaalsContact O-CD2 3.3Å; K24-L157 WeakPolarHBondContact O-CD2 3.44Å; K24-Y160 WeakPolarHBondContact O-CE2 3.27Å
25G96.2Very high93.8Very high26 Ų2639.4 Ų39.427%0.26821%0.211SC..THydrogen-bonded Turntrans76.6-5.8178.200000115.8K23 V27 Q28 L29K23-G25 PolarHBondContact O-N 3.03Å; G25-V27 PolarHBondContact O-N 3.17Å; G25-Q28 PolarHBondContact O-N 3.34Å; G25-Q28 PolarHBondContact O-OE1 2.7Å; G25-L29 PolarHBondContact O-N 3.35Å
26I96.8Very high93.8Very high0 Ų040.8 Ų40.80%022%0.222CC..Hα-helixtrans-71.9-33.1-168.6-161.162.4000113.4I18 V20 K23 K24 Q28 L29 A30 L51 V109 Y160I18-I26 HydrophobicContact CD1-CD1 4.29Å; I18-I26 HydrophobicContact CD1-CG1 4.47Å; I18-I26 HydrophobicContact CG2-CD1 3.5Å; I18-I26 VanDerWaalsContact CG2-CD1 3.5Å; I18-I26 HydrophobicContact CG2-CG1 3.71Å; V20-I26 HydrophobicContact CG1-CD1 4.47Å; V20-I26 HydrophobicContact CG2-CD1 4.39Å; V20-I26 HydrophobicContact CG2-CG1 4.13Å; K23-I26 HydrophobicContact CB-CG2 4.19Å; K23-I26 WeakPolarHBondContact O-CB 3.46Å; K23-I26 WeakPolarHBondContact O-CG2 3.36Å; K23-I26 PolarHBondContact O-N 3.2Å; K24-I26 PolarHBondContact O-N 3.33Å; I26-Q28 VanDerWaalsContact C-N 3.33Å; I26-Q28 PolarHBondContact O-N 3.27Å; I26-L29 HydrophobicContact CD1-CD2 4.22Å; I26-L29 PolarHBondContact O-N 3.37Å; I26-A30 VanDerWaalsContact O-CB 3.28Å; I26-A30 WeakPolarHBondContact O-CB 3.08Å; I26-A30 PolarHBondContact O-N 3.21Å; I26-L51 HydrophobicContact CG1-CD2 4.5Å; I26-L51 HydrophobicContact CG2-CD2 4.16Å; I26-V109 HydrophobicContact CD1-CG1 3.9Å; I26-Y160 HydrophobicContact CD1-CE2 4.23Å
27V97.4Very high92.8Very high28 Ų2843.6 Ų43.617%0.1725%0.251CS..Hα-helixtrans-62.4-42.6176.71730000110.4G25 N31 L51 N54 V56G25-V27 PolarHBondContact O-N 3.17Å; V27-N31 WeakPolarHBondContact O-CB 3.49Å; V27-N31 PolarHBondContact O-N 3.06Å; V27-N31 PolarHBondContact O-ND2 3.24Å; V27-L51 HydrophobicContact CG2-CD2 4.5Å; V27-N54 HydrophobicContact CG1-CB 4.26Å; V27-N54 HydrophobicContact CG2-CB 3.7Å; V27-V56 HydrophobicContact CG1-CG2 3.84Å
28Q96.4Very high91.9Very high119 Ų11949.2 Ų49.256%0.55628%0.276SS*.Hα-helixtrans-63.6-47177-66.487.7-7.500111.5G25 I26 A32 I164G25-Q28 PolarHBondContact O-N 3.34Å; G25-Q28 PolarHBondContact O-OE1 2.7Å; I26-Q28 VanDerWaalsContact C-N 3.33Å; I26-Q28 PolarHBondContact O-N 3.27Å; Q28-A32 PolarHBondContact O-N 2.9Å; Q28-I164 HydrophobicContact CB-CD1 4.48Å
29L96.7Very high91.6Very high1 Ų149.9 Ų49.91%0.00528%0.28CS..Hα-helixtrans-63.1-46179178.863000112G25 I26 N31 A32 L33 V109 Y160 I163 I164G25-L29 PolarHBondContact O-N 3.35Å; I26-L29 HydrophobicContact CD1-CD2 4.22Å; I26-L29 PolarHBondContact O-N 3.37Å; L29-N31 PolarHBondContact O-N 2.93Å; L29-A32 PolarHBondContact O-N 3.35Å; L29-L33 HydrophobicContact CD1-CD1 4.41Å; L29-L33 HydrophobicContact CD1-CG 4.45Å; L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 3.34Å; L29-V109 HydrophobicContact CD2-CG1 4.01Å; L29-V109 HydrophobicContact CD2-CG2 3.87Å; L29-Y160 HydrophobicContact CB-CD2 4.27Å; L29-Y160 HydrophobicContact CB-CG 4.38Å; L29-Y160 HydrophobicContact CD2-CD1 3.66Å; L29-Y160 HydrophobicContact CD2-CD2 4.25Å; L29-Y160 HydrophobicContact CD2-CE1 3.77Å; L29-Y160 HydrophobicContact CD2-CE2 4.37Å; L29-Y160 HydrophobicContact CD2-CG 3.91Å; L29-I163 HydrophobicContact CD1-CB 4.24Å; L29-I163 HydrophobicContact CD1-CG2 3.86Å; L29-I164 HydrophobicContact CB-CD1 4.46Å; L29-I164 HydrophobicContact CD1-CD1 4.41Å; L29-I164 HydrophobicContact CD1-CG1 3.83Å
30A96.1Very high91.4Very high0 Ų053.6 Ų53.60%030%0.296CS..Hα-helixtrans-63.4-42.4-17900000111.9I18 I26 L33 I34 I41 L51 V56I18-A30 HydrophobicContact CD1-CB 3.99Å; I26-A30 VanDerWaalsContact O-CB 3.28Å; I26-A30 WeakPolarHBondContact O-CB 3.08Å; I26-A30 PolarHBondContact O-N 3.21Å; A30-L33 PolarHBondContact O-N 3.48Å; A30-I34 WeakPolarHBondContact O-CD1 3.37Å; A30-I34 WeakPolarHBondContact O-CG1 3.48Å; A30-I34 PolarHBondContact O-N 2.97Å; A30-I41 HydrophobicContact CB-CD1 4.45Å; A30-I41 HydrophobicContact CB-CG1 4.47Å; A30-L51 HydrophobicContact CB-CD2 3.82Å; A30-V56 HydrophobicContact CB-CG1 3.79Å
31N95.6Very high91.3Very high67 Ų6753.6 Ų53.636%0.35830%0.295SS..Hα-helixtrans-61.4-44.3173.7-79.9-42.1000112V27 L29 L33 I34 S35V27-N31 WeakPolarHBondContact O-CB 3.49Å; V27-N31 PolarHBondContact O-N 3.06Å; V27-N31 PolarHBondContact O-ND2 3.24Å; L29-N31 PolarHBondContact O-N 2.93Å; N31-L33 VanDerWaalsContact C-N 3.34Å; N31-L33 PolarHBondContact O-N 2.87Å; N31-I34 PolarHBondContact O-N 2.71Å; N31-S35 WeakPolarHBondContact O-CB 3.24Å; N31-S35 PolarHBondContact O-N 3.5Å; N31-S35 PolarHBondContact O-OG 3.38Å; N31-S35 VanDerWaalsContact O-OG 3.09Å
32A94.3Very high91Very high13 Ų1349.9 Ų49.911%0.10728%0.279CS..Hα-helixtrans-62.6-40.1177.800000112.4Q28 L29 S35 S36 I164 I167 T168Q28-A32 PolarHBondContact O-N 2.9Å; L29-A32 PolarHBondContact O-N 3.35Å; A32-S35 PolarHBondContact O-N 3.48Å; A32-S36 PolarHBondContact O-N 3.38Å; A32-I164 HydrophobicContact CB-CB 4.37Å; A32-I164 HydrophobicContact CB-CG1 3.82Å; A32-I164 HydrophobicContact CB-CG2 4Å; A32-I167 HydrophobicContact CB-CD1 4.04Å; A32-T168 HydrophobicContact CB-CG2 4.47Å
33L93.3Very high90.8Very high0 Ų046.3 Ų46.30%026%0.26CS..Hα-helixtrans-60.1-47.2173.9-73.7166.5000111.5A16 L29 A30 N31 S36 V39 I41 F107 I167A16-L33 HydrophobicContact CB-CD1 3.96Å; L29-L33 HydrophobicContact CD1-CD1 4.41Å; L29-L33 HydrophobicContact CD1-CG 4.45Å; L29-L33 HydrophobicContact CG-CD1 4.12Å; L29-L33 WeakPolarHBondContact O-CG 3.48Å; L29-L33 PolarHBondContact O-N 3.34Å; A30-L33 PolarHBondContact O-N 3.48Å; N31-L33 VanDerWaalsContact C-N 3.34Å; N31-L33 PolarHBondContact O-N 2.87Å; L33-S36 PolarHBondContact O-N 3.2Å; L33-S36 PolarHBondContact O-OG 3.3Å; L33-V39 HydrophobicContact CB-CB 4.43Å; L33-V39 HydrophobicContact CB-CG1 4.29Å; L33-V39 WeakPolarHBondContact O-CB 3.19Å; L33-I41 HydrophobicContact CB-CD1 4.1Å; L33-I41 HydrophobicContact CD1-CD1 4.26Å; L33-F107 HydrophobicContact CD2-CB 4.46Å; L33-F107 HydrophobicContact CD2-CD1 3.7Å; L33-F107 HydrophobicContact CD2-CD2 3.65Å; L33-F107 HydrophobicContact CD2-CE1 3.74Å; L33-F107 HydrophobicContact CD2-CE2 3.68Å; L33-F107 HydrophobicContact CD2-CG 3.67Å; L33-F107 HydrophobicContact CD2-CZ 3.74Å; L33-I167 HydrophobicContact CD2-CD1 3.71Å; L33-I167 HydrophobicContact CG-CD1 3.99Å
34I92.5Very high90.4Very high53 Ų5343.7 Ų43.727%0.27225%0.249SC..Hα-helixtrans-61.6-47.6176.9-68.2160.3000110.4A30 N31 S36 G37 I41 V56 P57A30-I34 WeakPolarHBondContact O-CD1 3.37Å; A30-I34 WeakPolarHBondContact O-CG1 3.48Å; A30-I34 PolarHBondContact O-N 2.97Å; N31-I34 PolarHBondContact O-N 2.71Å; I34-S36 VanDerWaalsContact C-N 3.26Å; I34-S36 PolarHBondContact O-N 3.27Å; I34-G37 PolarHBondContact O-N 3.15Å; I34-G37 VanDerWaalsContact O-N 3.14Å; I34-I41 HydrophobicContact CD1-CG1 3.71Å; I34-I41 HydrophobicContact CG1-CD1 4.18Å; I34-I41 HydrophobicContact CG1-CG1 3.76Å; I34-V56 HydrophobicContact CD1-CG1 3.65Å; I34-P57 HydrophobicContact CD1-CG 3.84Å
35S90.2Very high89.8Confident99 Ų9938.3 Ų38.369%0.69223%0.228SC*.Hα-helixtrans-65.5-23.2-179.3-63.40000114.1N31 A32 G37N31-S35 WeakPolarHBondContact O-CB 3.24Å; N31-S35 PolarHBondContact O-N 3.5Å; N31-S35 PolarHBondContact O-OG 3.38Å; N31-S35 VanDerWaalsContact O-OG 3.09Å; A32-S35 PolarHBondContact O-N 3.48Å; S35-G37 PolarHBondContact O-N 2.9Å; S35-G37 VanDerWaalsContact O-N 3.1Å
36S85.2Confident89.4Confident49 Ų4938.9 Ų38.934%0.34323%0.234SC..THydrogen-bonded Turntrans-65.2-7.9173.676.10000113.8A32 L33 I34A32-S36 PolarHBondContact O-N 3.38Å; L33-S36 PolarHBondContact O-N 3.2Å; L33-S36 PolarHBondContact O-OG 3.3Å; I34-S36 VanDerWaalsContact C-N 3.26Å; I34-S36 PolarHBondContact O-N 3.27Å
37G69.2Low89.1Confident59 Ų5938.9 Ų38.961%0.60823%0.234SC*.THydrogen-bonded Turntrans100.30.1156.700000116.6I34 S35I34-G37 PolarHBondContact O-N 3.15Å; I34-G37 VanDerWaalsContact O-N 3.14Å; S35-G37 PolarHBondContact O-N 2.9Å; S35-G37 VanDerWaalsContact O-N 3.1Å
38K70.8Confident88.9Confident121 Ų12141.1 Ų41.153%0.52624%0.24SC..SBendtrans-150.916.6178.6-63.6-172.7-179.1177.80115.5D10 S14D10-K38 IonicContact OD1-NZ 2.94Å; D10-K38 PolarHBondContact OD1-NZ 3.34Å; S14-K38 WeakPolarHBondContact CB-O 3.4Å; S14-K38 PolarHBondContact N-O 2.93Å
39V85.9Confident88.8Confident14 Ų1439.6 Ų39.69%0.08524%0.236CC..EExtended strand (participates in β ladder)trans-115.4121.5-174.6-172.30000112.1S14 A16 L33 F107S14-V39 CarbonylContact O-C 3.48Å; S14-V39 VanDerWaalsContact O-CA 3.3Å; S14-V39 WeakPolarHBondContact O-CA 3.26Å; A16-V39 HydrophobicContact CB-CG1 3.56Å; L33-V39 HydrophobicContact CB-CB 4.43Å; L33-V39 HydrophobicContact CB-CG1 4.29Å; L33-V39 WeakPolarHBondContact O-CB 3.19Å; V39-F107 HydrophobicContact CG1-CD2 4.27Å; V39-F107 HydrophobicContact CG2-CD2 4.29Å; V39-F107 HydrophobicContact CG2-CE2 3.93Å
40Q89.2Confident88.7Confident91 Ų9142.4 Ų42.443%0.42525%0.249SC..EExtended strand (participates in β ladder)trans-91.2144.1168.5-69.2-178.4-21.300110.5L13 S14 I15 A16L13-Q40 HydrophobicContact CD2-CG 4.08Å; S14-Q40 PolarHBondContact O-N 3.41Å; I15-Q40 CarbonylContact C-O 3.56Å; I15-Q40 WeakPolarHBondContact CA-O 3.44Å; A16-Q40 PolarHBondContact N-O 2.94Å
41I91.3Very high88.8Confident6 Ų642.4 Ų42.43%0.03125%0.249CC..EExtended strand (participates in β ladder)trans-94.4127.8177.5-52.1-55.2000109.9A16 I18 A30 L33 I34 L51 A58 S59A16-I41 HydrophobicContact CB-CD1 3.84Å; I18-I41 HydrophobicContact CD1-CD1 4.25Å; I18-I41 HydrophobicContact CD1-CG2 3.72Å; I18-I41 HydrophobicContact CG1-CG2 4.11Å; A30-I41 HydrophobicContact CB-CD1 4.45Å; A30-I41 HydrophobicContact CB-CG1 4.47Å; L33-I41 HydrophobicContact CB-CD1 4.1Å; L33-I41 HydrophobicContact CD1-CD1 4.26Å; I34-I41 HydrophobicContact CD1-CG1 3.71Å; I34-I41 HydrophobicContact CG1-CD1 4.18Å; I34-I41 HydrophobicContact CG1-CG1 3.76Å; I41-L51 HydrophobicContact CG2-CD1 3.88Å; I41-A58 HydrophobicContact CB-CB 4.1Å; I41-A58 HydrophobicContact CG2-CB 3.89Å; I41-A58 CarbonylContact O-C 3.56Å; I41-A58 WeakPolarHBondContact O-CA 3.13Å; I41-S59 PolarHBondContact O-N 3.27Å; I41-S59 PolarHBondContact O-OG 3.36Å; I41-S59 VanDerWaalsContact O-OG 3.06Å
42A88.8Confident88.8Confident6 Ų642.4 Ų42.45%0.0525%0.248CC..EExtended strand (participates in β ladder)trans-116.4126.2165.600000108.4I15 A16 I17 I18 S59 V61I15-A42 HydrophobicContact CG2-CB 3.74Å; A16-A42 PolarHBondContact O-N 2.83Å; I17-A42 CarbonylContact C-O 3.56Å; I17-A42 VanDerWaalsContact CA-O 3.28Å; I17-A42 WeakPolarHBondContact CA-O 3.42Å; I17-A42 HydrophobicContact CG1-CB 4.5Å; I18-A42 PolarHBondContact N-O 3.49Å; A42-S59 CarbonylContact C-O 3.44Å; A42-S59 VanDerWaalsContact CA-O 3.3Å; A42-S59 WeakPolarHBondContact CA-O 3.18Å; A42-V61 VanDerWaalsContact C-CG2 3.42Å; A42-V61 HydrophobicContact CB-CG2 3.64Å
43A89.2Confident88.9Confident0 Ų048.2 Ų48.20%028%0.277CS..EExtended strand (participates in β ladder)trans-126.5153.4-176.300000113.6I18 T47 L51 S59 V61I18-A43 VanDerWaalsContact O-CA 3.23Å; I18-A43 WeakPolarHBondContact O-CA 3.33Å; A43-T47 HydrophobicContact CB-CG2 4.01Å; A43-L51 HydrophobicContact CB-CD1 3.94Å; A43-S59 PolarHBondContact N-O 3.49Å; A43-V61 WeakPolarHBondContact O-CG2 3.05Å; A43-V61 PolarHBondContact O-N 3.24Å; A43-V61 VanDerWaalsContact O-N 3.08Å
44S86.5Confident89.1Confident9 Ų952.5 Ų52.56%0.06330%0.3CS..  trans-75.3153169.283.70000110.7I18 S19 G46 T47 Y48 K73I18-S44 PolarHBondContact O-N 3.34Å; I18-S44 VanDerWaalsContact O-N 3.15Å; S19-S44 PolarHBondContact OG-OG 3.11Å; S44-G46 PolarHBondContact O-N 3.49Å; S44-T47 CarbonylContact O-C 3.45Å; S44-T47 WeakPolarHBondContact O-CA 3.41Å; S44-T47 WeakPolarHBondContact O-CB 3.36Å; S44-T47 PolarHBondContact O-N 3.24Å; S44-T47 PolarHBondContact OG-OG1 3.28Å; S44-Y48 PolarHBondContact O-N 2.78Å; S44-K73 PolarHBondContact OG-NZ 3.27Å
45D83.6Confident89.3Confident43 Ų4353 Ų5323%0.2332%0.319CS..Hα-helixtrans-42.7-59.5-166.4-50.1-42.6000115.3T47 Y48 D49D45-T47 PolarHBondContact O-N 2.94Å; D45-Y48 WeakPolarHBondContact O-CB 3.28Å; D45-Y48 PolarHBondContact O-N 2.76Å; D45-Y48 VanDerWaalsContact O-N 3.08Å; D45-D49 PolarHBondContact O-N 2.77Å
46G87.6Confident89.5Confident38 Ų3848.4 Ų48.439%0.39229%0.286SS..Hα-helixtrans-66.5-21.818000000115K23 S44K23-G46 VanDerWaalsContact CE-O 3.25Å; K23-G46 WeakPolarHBondContact CE-O 3.47Å; S44-G46 PolarHBondContact O-N 3.49Å
47T92.4Very high89.9Confident1 Ų150.1 Ų50.11%0.00630%0.296CS..Hα-helixtrans-81.4-40.5170.4-53.10000110.8I18 V20 A43 S44 D45 H50 L51I18-T47 HydrophobicContact CB-CG2 4.14Å; I18-T47 HydrophobicContact CG2-CG2 3.62Å; V20-T47 HydrophobicContact CG2-CG2 3.88Å; V20-T47 PolarHBondContact N-OG1 2.88Å; V20-T47 VanDerWaalsContact N-OG1 3.14Å; V20-T47 PolarHBondContact O-OG1 3.1Å; A43-T47 HydrophobicContact CB-CG2 4.01Å; S44-T47 CarbonylContact O-C 3.45Å; S44-T47 WeakPolarHBondContact O-CA 3.41Å; S44-T47 WeakPolarHBondContact O-CB 3.36Å; S44-T47 PolarHBondContact O-N 3.24Å; S44-T47 PolarHBondContact OG-OG1 3.28Å; D45-T47 PolarHBondContact O-N 2.94Å; T47-H50 PolarHBondContact O-N 3.12Å; T47-L51 HydrophobicContact CG2-CD1 4.08Å; T47-L51 HydrophobicContact CG2-CG 4.42Å; T47-L51 VanDerWaalsContact O-CG 3.32Å; T47-L51 WeakPolarHBondContact O-CG 3.24Å; T47-L51 PolarHBondContact O-N 3.27Å
48Y92.8Very high91Very high74 Ų7448.3 Ų48.329%0.2928%0.276SS..Hα-helixtrans-58.4-51.9176.6167.3-92.5000110.4S44 D45 H50 L51 I52 A58S44-Y48 PolarHBondContact O-N 2.78Å; D45-Y48 WeakPolarHBondContact O-CB 3.28Å; D45-Y48 PolarHBondContact O-N 2.76Å; D45-Y48 VanDerWaalsContact O-N 3.08Å; Y48-H50 VanDerWaalsContact C-N 3.27Å; Y48-H50 PolarHBondContact O-N 3.05Å; Y48-L51 PolarHBondContact O-N 3.38Å; Y48-L51 VanDerWaalsContact O-N 3.12Å; Y48-I52 HydrophobicContact CD1-CG1 4.34Å; Y48-I52 HydrophobicContact CD2-CG1 4.05Å; Y48-I52 HydrophobicContact CE1-CG1 3.99Å; Y48-I52 HydrophobicContact CE2-CD1 3.94Å; Y48-I52 HydrophobicContact CE2-CG1 3.67Å; Y48-I52 HydrophobicContact CG-CG1 4.36Å; Y48-I52 WeakPolarHBondContact O-CG1 3.49Å; Y48-I52 PolarHBondContact O-N 3.09Å; Y48-A58 HydrophobicContact CD2-CB 4.06Å; Y48-A58 WeakPolarHBondContact CE2-O 3.1Å
49D93.3Very high91.8Very high87 Ų8745.2 Ų45.247%0.46527%0.269SS..Hα-helixtrans-57.8-42.8178.4-68.7-23.3000111.2D45 L51 N53D45-D49 PolarHBondContact O-N 2.77Å; D49-L51 PolarHBondContact O-N 3.27Å; D49-N53 WeakPolarHBondContact O-CB 3.5Å; D49-N53 PolarHBondContact O-N 3.43Å; D49-N53 PolarHBondContact O-ND2 2.65Å
50H95.8Very high91.5Very high60 Ų6046.9 Ų46.928%0.27828%0.282SS..Hα-helixtrans-63.3-42.4178.2-174.578.1000112.5K23 T47 Y48 N54K23-H50 HydrophobicContact CD-CB 4.02Å; T47-H50 PolarHBondContact O-N 3.12Å; Y48-H50 VanDerWaalsContact C-N 3.27Å; Y48-H50 PolarHBondContact O-N 3.05Å; H50-N54 PolarHBondContact O-N 3.43Å; H50-N54 PolarHBondContact O-ND2 2.81Å
51L96.5Very high90.5Very high0 Ų043.8 Ų43.80%027%0.269CS..Hα-helixtrans-67.5-47.7178.9-71.9173.6000111.7I18 I26 V27 A30 I41 A43 T47 Y48 D49 N53 N54 G55 V56 A58I18-L51 HydrophobicContact CD1-CD1 4.34Å; I26-L51 HydrophobicContact CG1-CD2 4.5Å; I26-L51 HydrophobicContact CG2-CD2 4.16Å; V27-L51 HydrophobicContact CG2-CD2 4.5Å; A30-L51 HydrophobicContact CB-CD2 3.82Å; I41-L51 HydrophobicContact CG2-CD1 3.88Å; A43-L51 HydrophobicContact CB-CD1 3.94Å; T47-L51 HydrophobicContact CG2-CD1 4.08Å; T47-L51 HydrophobicContact CG2-CG 4.42Å; T47-L51 VanDerWaalsContact O-CG 3.32Å; T47-L51 WeakPolarHBondContact O-CG 3.24Å; T47-L51 PolarHBondContact O-N 3.27Å; Y48-L51 PolarHBondContact O-N 3.38Å; Y48-L51 VanDerWaalsContact O-N 3.12Å; D49-L51 PolarHBondContact O-N 3.27Å; L51-N53 PolarHBondContact O-N 2.92Å; L51-N54 CarbonylContact O-C 3.49Å; L51-N54 PolarHBondContact O-N 3.43Å; L51-N54 VanDerWaalsContact O-N 3.11Å; L51-G55 PolarHBondContact O-N 3.38Å; L51-V56 CarbonylContact C-O 3.57Å; L51-V56 HydrophobicContact CB-CB 4.13Å; L51-V56 HydrophobicContact CD2-CB 4.16Å; L51-V56 HydrophobicContact CD2-CG1 4.22Å; L51-V56 HydrophobicContact CD2-CG2 4.34Å; L51-V56 PolarHBondContact O-N 3.22Å; L51-A58 HydrophobicContact CB-CB 4.41Å; L51-A58 HydrophobicContact CD1-CB 4.2Å
52I96Very high88.8Confident68 Ų6844.8 Ų44.835%0.34928%0.275SS..Hα-helixtrans-61.6-44.9178.5-64.5-63.2000111Y48 N54 G55 A58Y48-I52 HydrophobicContact CD1-CG1 4.34Å; Y48-I52 HydrophobicContact CD2-CG1 4.05Å; Y48-I52 HydrophobicContact CE1-CG1 3.99Å; Y48-I52 HydrophobicContact CE2-CD1 3.94Å; Y48-I52 HydrophobicContact CE2-CG1 3.67Å; Y48-I52 HydrophobicContact CG-CG1 4.36Å; Y48-I52 WeakPolarHBondContact O-CG1 3.49Å; Y48-I52 PolarHBondContact O-N 3.09Å; I52-N54 PolarHBondContact O-N 3Å; I52-N54 VanDerWaalsContact O-N 3.14Å; I52-G55 PolarHBondContact O-N 3.35Å; I52-A58 HydrophobicContact CD1-CB 4.46Å
53N96.5Very high87.2Confident135 Ų13548.6 Ų48.672%0.72232%0.316SS*.Hα-helixtrans-63.4-19.4177.8-72.1-25.9000113.4D49 L51D49-N53 WeakPolarHBondContact O-CB 3.5Å; D49-N53 PolarHBondContact O-N 3.43Å; D49-N53 PolarHBondContact O-ND2 2.65Å; L51-N53 PolarHBondContact O-N 2.92Å
54N97.3Very high85.2Confident89 Ų8954.9 Ų54.948%0.47634%0.343SS..THydrogen-bonded Turntrans-104.416.4175.1-73.3-87.5000112.8V27 H50 L51 I52 V56V27-N54 HydrophobicContact CG1-CB 4.26Å; V27-N54 HydrophobicContact CG2-CB 3.7Å; H50-N54 PolarHBondContact O-N 3.43Å; H50-N54 PolarHBondContact O-ND2 2.81Å; L51-N54 CarbonylContact O-C 3.49Å; L51-N54 PolarHBondContact O-N 3.43Å; L51-N54 VanDerWaalsContact O-N 3.11Å; I52-N54 PolarHBondContact O-N 3Å; I52-N54 VanDerWaalsContact O-N 3.14Å; N54-V56 PolarHBondContact O-N 3.31Å
55G96.2Very high83.4Confident65 Ų6559 Ų5967%0.6737%0.372SS*.THydrogen-bonded Turntrans76.815.4173.200000115.3L51 I52L51-G55 PolarHBondContact O-N 3.38Å; I52-G55 PolarHBondContact O-N 3.35Å
56V95.5Very high81.8Confident1 Ų162.4 Ų62.41%0.00639%0.387CS..  trans-94.5120.8177.8-175.50000109.7V27 A30 I34 L51 N54 A58V27-V56 HydrophobicContact CG1-CG2 3.84Å; A30-V56 HydrophobicContact CB-CG1 3.79Å; I34-V56 HydrophobicContact CD1-CG1 3.65Å; L51-V56 CarbonylContact C-O 3.57Å; L51-V56 HydrophobicContact CB-CB 4.13Å; L51-V56 HydrophobicContact CD2-CB 4.16Å; L51-V56 HydrophobicContact CD2-CG1 4.22Å; L51-V56 HydrophobicContact CD2-CG2 4.34Å; L51-V56 PolarHBondContact O-N 3.22Å; N54-V56 PolarHBondContact O-N 3.31Å; V56-A58 PolarHBondContact O-N 2.88Å
57P93.5Very high79.5Confident85 Ų8565.4 Ų65.455%0.55239%0.393SS*.  trans-68.3124.7178.626.9-32.3000111I34I34-P57 HydrophobicContact CD1-CG 3.84Å
58A91.5Very high77.2Confident21 Ų2171.5 Ų71.517%0.17443%0.425CS..  trans-141160.217700000110.7I41 Y48 L51 I52 V56I41-A58 HydrophobicContact CB-CB 4.1Å; I41-A58 HydrophobicContact CG2-CB 3.89Å; I41-A58 CarbonylContact O-C 3.56Å; I41-A58 WeakPolarHBondContact O-CA 3.13Å; Y48-A58 HydrophobicContact CD2-CB 4.06Å; Y48-A58 WeakPolarHBondContact CE2-O 3.1Å; L51-A58 HydrophobicContact CB-CB 4.41Å; L51-A58 HydrophobicContact CD1-CB 4.2Å; I52-A58 HydrophobicContact CD1-CB 4.46Å; V56-A58 PolarHBondContact O-N 2.88Å
59S87.6Confident75.2Confident56 Ų5670.9 Ų70.939%0.39244%0.441SS..EExtended strand (participates in β ladder)trans-112.5152.8169.755.80000109.9I41 A42 A43I41-S59 PolarHBondContact O-N 3.27Å; I41-S59 PolarHBondContact O-OG 3.36Å; I41-S59 VanDerWaalsContact O-OG 3.06Å; A42-S59 CarbonylContact C-O 3.44Å; A42-S59 VanDerWaalsContact CA-O 3.3Å; A42-S59 WeakPolarHBondContact CA-O 3.18Å; A43-S59 PolarHBondContact N-O 3.49Å
60S80.9Confident73.6Confident49 Ų4967 Ų6734%0.34342%0.421SS..EExtended strand (participates in β ladder)trans-72.5133.6169.8179.40000109.7T62S60-T62 PolarHBondContact O-N 3.07Å; S60-T62 PolarHBondContact OG-N 2.82Å; S60-T62 PolarHBondContact OG-OG1 3Å
61V67.3Low71.5Confident27 Ų2771.8 Ų71.816%0.16444%0.437CS..SBendtrans-64.2-25.4178.3175.40000111.5I17 A42 A43 I79I17-V61 HydrophobicContact CG2-CG2 4.28Å; A42-V61 VanDerWaalsContact C-CG2 3.42Å; A42-V61 HydrophobicContact CB-CG2 3.64Å; A43-V61 WeakPolarHBondContact O-CG2 3.05Å; A43-V61 PolarHBondContact O-N 3.24Å; A43-V61 VanDerWaalsContact O-N 3.08Å; V61-I79 HydrophobicContact CG1-CD1 3.36Å; V61-I79 HydrophobicContact CG1-CG1 3.88Å
62T56.8Low69.5Low26 Ų2674.4 Ų74.416%0.1645%0.453CS..  trans-106.2105.1-178.556.30000109.9S60 F64 K73S60-T62 PolarHBondContact O-N 3.07Å; S60-T62 PolarHBondContact OG-N 2.82Å; S60-T62 PolarHBondContact OG-OG1 3Å; T62-F64 WeakPolarHBondContact CB-O 3.33Å; T62-F64 PolarHBondContact O-N 3.2Å; T62-F64 PolarHBondContact OG1-O 2.86Å; T62-K73 HydrophobicContact CG2-CB 3.9Å; T62-K73 WeakPolarHBondContact CG2-O 3.38Å
63G53.7Low67.8Low87 Ų8772.9 Ų72.990%0.89744%0.444SS*.SBendtrans-63.8115800000113.2
64F48.6Very low66.3Low131 Ų13166.7 Ų66.758%0.57541%0.411SS*.SBendtrans-103.7141.3174.7-69.5-86.3000110.2T62 H76T62-F64 WeakPolarHBondContact CB-O 3.33Å; T62-F64 PolarHBondContact O-N 3.2Å; T62-F64 PolarHBondContact OG1-O 2.86Å; F64-H76 AromaticContact CE2-CD2 3.89Å; F64-H76 AromaticContact CE2-NE2 3.52Å
65S47.3Very low64.6Low96 Ų9665.6 Ų65.667%0.67141%0.405SS*.PPolyproline II helixtrans-55.4142.9169.452.70000111L67S65-L67 PolarHBondContact O-N 3.07Å
66E50.7Low63.1Low115 Ų11565.8 Ų65.854%0.53739%0.388SS..PPolyproline II helixtrans-50.1122.9176.2-170-174.9173.700111.4G69 G70E66-G69 WeakPolarHBondContact OE1-CA 3.47Å; E66-G70 WeakPolarHBondContact OE1-CA 3.39Å; E66-G70 PolarHBondContact OE1-N 2.6Å
67L39.3Very low61.5Low101 Ų10170 Ų7053%0.52942%0.415SS..  trans-113.3142.8177-68.9175.5000110.5S65 G69 G70 V72S65-L67 PolarHBondContact O-N 3.07Å; L67-G69 PolarHBondContact O-N 3.19Å; L67-G70 PolarHBondContact O-N 3.13Å; L67-G70 VanDerWaalsContact O-N 3.14Å; L67-V72 HydrophobicContact CB-CG2 3.93Å
68L43.3Very low59.9Low129 Ų12967.5 Ų67.568%0.67540%0.4SS*.G310 helixtrans5634.1176.3-55.7174.7000113.8R71 V72L68-R71 HydrophobicContact CB-CB 4.17Å; L68-R71 WeakPolarHBondContact O-CD 3.29Å; L68-R71 VanDerWaalsContact O-CG 3.23Å; L68-R71 WeakPolarHBondContact O-CG 3.21Å; L68-V72 HydrophobicContact CD1-CG1 4.02Å; L68-V72 HydrophobicContact CD1-CG2 4.35Å
69G51.7Low58.5Low61 Ų6166.9 Ų66.963%0.62939%0.393SS*.G310 helixtrans62.441-177.200000112.8E66 L67 R71E66-G69 WeakPolarHBondContact OE1-CA 3.47Å; L67-G69 PolarHBondContact O-N 3.19Å; G69-R71 VanDerWaalsContact C-N 3.34Å; G69-R71 PolarHBondContact O-N 2.9Å
70G58.8Low57.1Low5 Ų566.5 Ų66.55%0.05239%0.385CS..G310 helixtrans85-3.3175.300000115.4E66 L67 V72 K73E66-G70 WeakPolarHBondContact OE1-CA 3.39Å; E66-G70 PolarHBondContact OE1-N 2.6Å; L67-G70 PolarHBondContact O-N 3.13Å; L67-G70 VanDerWaalsContact O-N 3.14Å; G70-V72 VanDerWaalsContact C-N 3.25Å; G70-V72 PolarHBondContact O-N 3.47Å; G70-V72 VanDerWaalsContact O-N 3.16Å; G70-K73 WeakPolarHBondContact O-CD 3.39Å; G70-K73 VanDerWaalsContact O-CG 3.23Å; G70-K73 WeakPolarHBondContact O-CG 3.42Å; G70-K73 PolarHBondContact O-N 2.88Å
71R52.8Low55.8Low160 Ų16065.4 Ų65.460%0.60438%0.379SS*.THydrogen-bonded Turntrans-61.9-24.6-173.4-71.9176.2178.6-167.9-3.7115.6L68 G69L68-R71 HydrophobicContact CB-CB 4.17Å; L68-R71 WeakPolarHBondContact O-CD 3.29Å; L68-R71 VanDerWaalsContact O-CG 3.23Å; L68-R71 WeakPolarHBondContact O-CG 3.21Å; G69-R71 VanDerWaalsContact C-N 3.34Å; G69-R71 PolarHBondContact O-N 2.9Å
72V54Low55.1Low55 Ų5564.2 Ų64.233%0.33337%0.372SS..THydrogen-bonded Turntrans-121.110-174.8-61.50000113.3L67 L68 G70 T74 L75L67-V72 HydrophobicContact CB-CG2 3.93Å; L68-V72 HydrophobicContact CD1-CG1 4.02Å; L68-V72 HydrophobicContact CD1-CG2 4.35Å; G70-V72 VanDerWaalsContact C-N 3.25Å; G70-V72 PolarHBondContact O-N 3.47Å; G70-V72 VanDerWaalsContact O-N 3.16Å; V72-T74 VanDerWaalsContact C-N 3.33Å; V72-T74 PolarHBondContact O-N 2.85Å; V72-L75 HydrophobicContact CB-CD1 4.37Å; V72-L75 HydrophobicContact CG1-CD1 4.22Å; V72-L75 PolarHBondContact O-N 2.76Å
73K61.6Low54.7Low36 Ų3663.2 Ų63.216%0.15737%0.367CS..THydrogen-bonded Turntrans-60.6-37.6-169.166.7-169.8176.7177.40113.7S44 T62 G70S44-K73 PolarHBondContact OG-NZ 3.27Å; T62-K73 HydrophobicContact CG2-CB 3.9Å; T62-K73 WeakPolarHBondContact CG2-O 3.38Å; G70-K73 WeakPolarHBondContact O-CD 3.39Å; G70-K73 VanDerWaalsContact O-CG 3.23Å; G70-K73 WeakPolarHBondContact O-CG 3.42Å; G70-K73 PolarHBondContact O-N 2.88Å
74T63.6Low54.4Low5 Ų563.7 Ų63.73%0.03135%0.346CS..THydrogen-bonded Turntrans-93.4-1.717955.70000113V72 H76 I79 G136 L140V72-T74 VanDerWaalsContact C-N 3.33Å; V72-T74 PolarHBondContact O-N 2.85Å; T74-H76 PolarHBondContact O-N 3.03Å; T74-I79 WeakPolarHBondContact O-CD1 3.48Å; T74-G136 WeakPolarHBondContact OG1-CA 3.31Å; T74-L140 HydrophobicContact CG2-CD1 3.46Å; T74-L140 VanDerWaalsContact CG2-CD1 3.46Å; T74-L140 HydrophobicContact CG2-CG 4.37Å
75L62Low54.5Low67 Ų6758.3 Ų58.335%0.35132%0.323SS..  trans-85.949.2-176.8-59.1-178.5000112.5V72 F80 I135 A139V72-L75 HydrophobicContact CB-CD1 4.37Å; V72-L75 HydrophobicContact CG1-CD1 4.22Å; V72-L75 PolarHBondContact O-N 2.76Å; L75-F80 HydrophobicContact CB-CE2 4.4Å; L75-F80 HydrophobicContact CD2-CE2 3.75Å; L75-F80 HydrophobicContact CD2-CZ 3.68Å; L75-I135 HydrophobicContact CD1-CG2 4.04Å; L75-A139 HydrophobicContact CD2-CB 3.94Å
76H65.7Low54.6Low69 Ų6958.9 Ų58.932%0.31931%0.314SS..  trans-113.4138-179.3-166.8-94.6000110.7F64 T74 S78 I79 F80F64-H76 AromaticContact CE2-CD2 3.89Å; F64-H76 AromaticContact CE2-NE2 3.52Å; T74-H76 PolarHBondContact O-N 3.03Å; H76-S78 WeakPolarHBondContact ND1-CB 3.1Å; H76-S78 PolarHBondContact ND1-N 3.21Å; H76-S78 VanDerWaalsContact ND1-N 3.15Å; H76-S78 PolarHBondContact ND1-OG 3.26Å; H76-S78 PolarHBondContact O-N 3.43Å; H76-I79 HydrophobicContact CB-CD1 4.1Å; H76-I79 HydrophobicContact CB-CG1 4.45Å; H76-I79 WeakPolarHBondContact O-CB 3.43Å; H76-I79 PolarHBondContact O-N 3.15Å; H76-F80 PolarHBondContact O-N 3.45Å
77P60.4Low54.5Low88 Ų8856.1 Ų56.157%0.57131%0.305SS*.Hα-helixtrans-52.5-32.3177.7-29.135.6000113.7I79 F80 A81P77-I79 PolarHBondContact O-N 3.26Å; P77-F80 PolarHBondContact O-N 2.92Å; P77-A81 WeakPolarHBondContact O-CA 3.31Å; P77-A81 WeakPolarHBondContact O-CB 3.47Å; P77-A81 PolarHBondContact O-N 2.92Å
78S60.5Low55Low34 Ų3455.5 Ų55.524%0.23830%0.301CS..Hα-helixtrans-63.3-28.5176.566.50000113.9H76 F105H76-S78 WeakPolarHBondContact ND1-CB 3.1Å; H76-S78 PolarHBondContact ND1-N 3.21Å; H76-S78 VanDerWaalsContact ND1-N 3.15Å; H76-S78 PolarHBondContact ND1-OG 3.26Å; H76-S78 PolarHBondContact O-N 3.43Å; S78-F105 WeakPolarHBondContact O-CE2 3.42Å
79I61.5Low55.2Low7 Ų753.7 Ų53.74%0.03629%0.291CS..Hα-helixtrans-81.9-43.5179.7-64.2166.1000109.8I17 V61 T74 H76 P77 G83 F105 L140I17-I79 HydrophobicContact CD1-CG2 3.8Å; V61-I79 HydrophobicContact CG1-CD1 3.36Å; V61-I79 HydrophobicContact CG1-CG1 3.88Å; T74-I79 WeakPolarHBondContact O-CD1 3.48Å; H76-I79 HydrophobicContact CB-CD1 4.1Å; H76-I79 HydrophobicContact CB-CG1 4.45Å; H76-I79 WeakPolarHBondContact O-CB 3.43Å; H76-I79 PolarHBondContact O-N 3.15Å; P77-I79 PolarHBondContact O-N 3.26Å; I79-G83 PolarHBondContact O-N 3.28Å; I79-F105 WeakPolarHBondContact O-CD2 3.27Å; I79-F105 WeakPolarHBondContact O-CE2 3.47Å; I79-L140 HydrophobicContact CG2-CD2 3.84Å
80F58.7Low55.2Low48 Ų4856.3 Ų56.321%0.21129%0.291CS..Hα-helixtrans-79.9-32.7-179.6-66.1-60.6000113.8L75 H76 P77 G82 G83 E84 A139 A143L75-F80 HydrophobicContact CB-CE2 4.4Å; L75-F80 HydrophobicContact CD2-CE2 3.75Å; L75-F80 HydrophobicContact CD2-CZ 3.68Å; H76-F80 PolarHBondContact O-N 3.45Å; P77-F80 PolarHBondContact O-N 2.92Å; F80-G82 VanDerWaalsContact C-N 3.34Å; F80-G82 PolarHBondContact O-N 3.43Å; F80-G83 CarbonylContact O-C 3.51Å; F80-G83 WeakPolarHBondContact O-CA 3.49Å; F80-G83 PolarHBondContact O-N 3.4Å; F80-E84 WeakPolarHBondContact O-CB 3.49Å; F80-E84 WeakPolarHBondContact O-CG 3.36Å; F80-E84 PolarHBondContact O-N 2.99Å; F80-A139 HydrophobicContact CE1-CB 3.84Å; F80-A139 HydrophobicContact CZ-CB 3.53Å; F80-A143 HydrophobicContact CD1-CB 3.77Å; F80-A143 HydrophobicContact CE1-CB 4.13Å
81A53.5Low55Low26 Ų2659.4 Ų59.422%0.21531%0.306CS..Hα-helixtrans-59.6-47.9174.700000109.9P77 G83 E84 I85 F102P77-A81 WeakPolarHBondContact O-CA 3.31Å; P77-A81 WeakPolarHBondContact O-CB 3.47Å; P77-A81 PolarHBondContact O-N 2.92Å; A81-G83 PolarHBondContact O-N 3.15Å; A81-E84 PolarHBondContact O-N 3.19Å; A81-E84 VanDerWaalsContact O-N 3.11Å; A81-I85 WeakPolarHBondContact O-CD1 3.44Å; A81-I85 WeakPolarHBondContact O-CG1 3.44Å; A81-I85 PolarHBondContact O-N 3.14Å; A81-F102 HydrophobicContact CB-CD2 4.15Å; A81-F102 HydrophobicContact CB-CE2 4.24Å; A81-F102 HydrophobicContact CB-CG 4.33Å
82G52.1Low55Low3 Ų353.7 Ų53.73%0.03129%0.287CS..Hα-helixtrans-60.4-27174.300000113.7F80F80-G82 VanDerWaalsContact C-N 3.34Å; F80-G82 PolarHBondContact O-N 3.43Å
83G48.7Very low54.9Low5 Ų553.2 Ų53.25%0.05228%0.284CS..Hα-helixtrans-85.7-22.6175.500000114.9I79 F80 A81 N147I79-G83 PolarHBondContact O-N 3.28Å; F80-G83 CarbonylContact O-C 3.51Å; F80-G83 WeakPolarHBondContact O-CA 3.49Å; F80-G83 PolarHBondContact O-N 3.4Å; A81-G83 PolarHBondContact O-N 3.15Å; G83-N147 WeakPolarHBondContact O-CB 3.41Å; G83-N147 VanDerWaalsContact O-CG 3.28Å; G83-N147 PolarHBondContact O-ND2 3.26Å
84E48.6Very low54.6Low97 Ų9754.6 Ų54.645%0.45329%0.293SS..Hα-helixtrans-106.5-16.2-176.1-70.2-139.1139.100114.5F80 A81 K86 K146F80-E84 WeakPolarHBondContact O-CB 3.49Å; F80-E84 WeakPolarHBondContact O-CG 3.36Å; F80-E84 PolarHBondContact O-N 2.99Å; A81-E84 PolarHBondContact O-N 3.19Å; A81-E84 VanDerWaalsContact O-N 3.11Å; E84-K86 PolarHBondContact O-N 2.76Å; E84-K146 IonicContact OE1-NZ 2.75Å; E84-K146 PolarHBondContact OE1-NZ 2.93Å; E84-K146 IonicContact OE2-NZ 3.32Å
85I50Low54.2Low18 Ų1856.1 Ų56.19%0.09230%0.301CS..  trans-58.8105.8177.1-69.6153.6000108A81 M92 L95 L104 N147A81-I85 WeakPolarHBondContact O-CD1 3.44Å; A81-I85 WeakPolarHBondContact O-CG1 3.44Å; A81-I85 PolarHBondContact O-N 3.14Å; I85-M92 HydrophobicContact CG2-CG 4.26Å; I85-L95 HydrophobicContact CD1-CD1 3.3Å; I85-L95 HydrophobicContact CG1-CD1 3.63Å; I85-L104 HydrophobicContact CD1-CD2 4.47Å; I85-N147 PolarHBondContact O-ND2 3.11Å; I85-N147 VanDerWaalsContact O-ND2 3.15Å
86K48.3Very low53.9Low108 Ų10858.3 Ų58.347%0.4731%0.312SS..  trans-67.3132158.9-63.9179.3179.6176.40104.1E84 I88E84-K86 PolarHBondContact O-N 2.76Å; K86-I88 HydrophobicContact CB-CB 4.28Å; K86-I88 HydrophobicContact CB-CD1 3.8Å; K86-I88 HydrophobicContact CB-CG1 3.79Å; K86-I88 HydrophobicContact CD-CD1 3.55Å; K86-I88 HydrophobicContact CD-CG1 4.44Å; K86-I88 HydrophobicContact CG-CD1 4.32Å; K86-I88 PolarHBondContact O-N 2.81Å
87T50.3Low53.4Low57 Ų5764.6 Ų64.635%0.3533%0.334SS..  trans-70.945.1166.846.70000110.6M92 F150T87-M92 HydrophobicContact CG2-SD 4.05Å; T87-F150 HydrophobicContact CG2-CD1 4.48Å; T87-F150 HydrophobicContact CG2-CE1 4.46Å; T87-F150 WeakPolarHBondContact OG1-CE1 3.41Å; T87-F150 WeakPolarHBondContact OG1-CE2 3.44Å; T87-F150 WeakPolarHBondContact OG1-CZ 3.34Å
88I48.8Very low53.3Low88 Ų8867.9 Ų67.945%0.45134%0.335SS..  trans-78.4129161.9-65.4170.8000105.1K86 D90 D91K86-I88 HydrophobicContact CB-CB 4.28Å; K86-I88 HydrophobicContact CB-CD1 3.8Å; K86-I88 HydrophobicContact CB-CG1 3.79Å; K86-I88 HydrophobicContact CD-CD1 3.55Å; K86-I88 HydrophobicContact CD-CG1 4.44Å; K86-I88 HydrophobicContact CG-CD1 4.32Å; K86-I88 PolarHBondContact O-N 2.81Å; I88-D90 HydrophobicContact CG2-CB 4.38Å; I88-D90 PolarHBondContact O-N 2.73Å; I88-D91 PolarHBondContact O-N 3.43Å
89L47.1Very low52.9Low91 Ų9173.5 Ų73.548%0.47636%0.362SS..Hα-helixtrans-45.8-34.8-174.4-16871.6000112.8M1 V5 T93M1-L89 HydrophobicContact SD-CD2 4.48Å; V5-L89 HydrophobicContact CG2-CD1 4.24Å; L89-T93 VanDerWaalsContact O-CB 3.25Å; L89-T93 WeakPolarHBondContact O-CB 3.35Å; L89-T93 PolarHBondContact O-N 2.98Å; L89-T93 PolarHBondContact O-OG1 3.48Å
90D52Low52.4Low115 Ų11578.9 Ų78.962%0.61539%0.385SS*.Hα-helixtrans-67.3-41.5-177.9-63-23.5000113.4I88 T93 D94I88-D90 HydrophobicContact CG2-CB 4.38Å; I88-D90 PolarHBondContact O-N 2.73Å; D90-T93 PolarHBondContact O-N 2.95Å; D90-D94 PolarHBondContact O-N 2.92Å
91D54.7Low52Low71 Ų7182.6 Ų82.638%0.3841%0.411SS..Hα-helixtrans-69.9-42.4-178.2-70.2-17.3000111.1I88 T93 D94 L95I88-D91 PolarHBondContact O-N 3.43Å; D91-T93 VanDerWaalsContact C-N 3.32Å; D91-T93 PolarHBondContact O-N 3.32Å; D91-D94 PolarHBondContact O-N 3.49Å; D91-L95 WeakPolarHBondContact O-CG 3.44Å; D91-L95 PolarHBondContact O-N 2.68Å
92M52.1Low52.1Low39 Ų3983.4 Ų83.419%0.19241%0.41CS..Hα-helixtrans-67.9-34.5174.5-63.1-161.8104.600111.5I85 T87 L96 L104I85-M92 HydrophobicContact CG2-CG 4.26Å; T87-M92 HydrophobicContact CG2-SD 4.05Å; M92-L96 WeakPolarHBondContact O-CB 3.41Å; M92-L96 WeakPolarHBondContact O-CD1 3.34Å; M92-L96 WeakPolarHBondContact O-CG 3.49Å; M92-L96 PolarHBondContact O-N 3.29Å; M92-L104 HydrophobicContact CE-CD1 4.17Å
93T52Low52.4Low46 Ų4685.6 Ų85.628%0.28242%0.424SS..Hα-helixtrans-67.4-39.7175.4-57.20000111.3L89 D90 D91 R97L89-T93 VanDerWaalsContact O-CB 3.25Å; L89-T93 WeakPolarHBondContact O-CB 3.35Å; L89-T93 PolarHBondContact O-N 2.98Å; L89-T93 PolarHBondContact O-OG1 3.48Å; D90-T93 PolarHBondContact O-N 2.95Å; D91-T93 VanDerWaalsContact C-N 3.32Å; D91-T93 PolarHBondContact O-N 3.32Å; T93-R97 WeakPolarHBondContact O-CB 3.19Å; T93-R97 VanDerWaalsContact O-CG 3.26Å; T93-R97 WeakPolarHBondContact O-CG 3.33Å; T93-R97 PolarHBondContact O-N 2.87Å
94D56.9Low53.3Low65 Ų6587 Ų8735%0.34843%0.43SS..Hα-helixtrans-67.2-42.1176.4-165.837.9000111.7D90 D91 R97 R98D90-D94 PolarHBondContact O-N 2.92Å; D91-D94 PolarHBondContact O-N 3.49Å; D94-R97 PolarHBondContact O-N 3.08Å; D94-R98 WeakPolarHBondContact O-CG 3.4Å; D94-R98 PolarHBondContact O-N 3.01Å; D94-R98 IonicContact OD1-CZ 2.72Å; D94-R98 IonicContact OD1-NE 2.9Å; D94-R98 PolarHBondContact OD1-NE 2.83Å; D94-R98 IonicContact OD1-NH2 3.58Å; D94-R98 PolarHBondContact OD1-NH2 3.22Å; D94-R98 IonicContact OD2-CZ 3.61Å; D94-R98 VanDerWaalsContact OD2-CZ 3.25Å; D94-R98 IonicContact OD2-NE 2.96Å; D94-R98 PolarHBondContact OD2-NE 2.81Å; D94-R98 VanDerWaalsContact OD2-NE 3.13Å; D94-R98 IonicContact OD2-NH2 2.96Å; D94-R98 PolarHBondContact OD2-NH2 2.91Å
95L55.3Low54.6Low37 Ų3783.1 Ų83.119%0.19441%0.412CS..Hα-helixtrans-63-44.4176.1-72.9171.4000112.7I85 D91 R98 N99 F100 F102I85-L95 HydrophobicContact CD1-CD1 3.3Å; I85-L95 HydrophobicContact CG1-CD1 3.63Å; D91-L95 WeakPolarHBondContact O-CG 3.44Å; D91-L95 PolarHBondContact O-N 2.68Å; L95-R98 PolarHBondContact O-N 3.45Å; L95-N99 PolarHBondContact O-N 3.15Å; L95-F100 HydrophobicContact CD2-CB 4.09Å; L95-F100 PolarHBondContact O-N 3.08Å; L95-F100 VanDerWaalsContact O-N 3.11Å; L95-F102 HydrophobicContact CD2-CD2 3.77Å; L95-F102 HydrophobicContact CD2-CE2 3.7Å
96L54.7Low56.2Low112 Ų11285.8 Ų85.859%0.58642%0.42SS*.Hα-helixtrans-63.3-41.4174.6-73.4169.4000111.4M92 R98 N99M92-L96 WeakPolarHBondContact O-CB 3.41Å; M92-L96 WeakPolarHBondContact O-CD1 3.34Å; M92-L96 WeakPolarHBondContact O-CG 3.49Å; M92-L96 PolarHBondContact O-N 3.29Å; L96-R98 VanDerWaalsContact C-N 3.26Å; L96-R98 PolarHBondContact O-N 2.69Å; L96-N99 PolarHBondContact O-N 3.2Å
97R56Low58.3Low202 Ų20280.8 Ų80.876%0.76240%0.399SS*.Hα-helixtrans-62.4-31.6176.4-82.7178.3-178.8163.33.2113.1T93 D94T93-R97 WeakPolarHBondContact O-CB 3.19Å; T93-R97 VanDerWaalsContact O-CG 3.26Å; T93-R97 WeakPolarHBondContact O-CG 3.33Å; T93-R97 PolarHBondContact O-N 2.87Å; D94-R97 PolarHBondContact O-N 3.08Å
98R57.1Low60.3Low157 Ų15778.3 Ų78.359%0.59238%0.384SS*.THydrogen-bonded Turntrans-93.98.2-178.3-61.8179-167.7-151.511.6113.8D94 L95 L96 F100D94-R98 WeakPolarHBondContact O-CG 3.4Å; D94-R98 PolarHBondContact O-N 3.01Å; D94-R98 IonicContact OD1-CZ 2.72Å; D94-R98 IonicContact OD1-NE 2.9Å; D94-R98 PolarHBondContact OD1-NE 2.83Å; D94-R98 IonicContact OD1-NH2 3.58Å; D94-R98 PolarHBondContact OD1-NH2 3.22Å; D94-R98 IonicContact OD2-CZ 3.61Å; D94-R98 VanDerWaalsContact OD2-CZ 3.25Å; D94-R98 IonicContact OD2-NE 2.96Å; D94-R98 PolarHBondContact OD2-NE 2.81Å; D94-R98 VanDerWaalsContact OD2-NE 3.13Å; D94-R98 IonicContact OD2-NH2 2.96Å; D94-R98 PolarHBondContact OD2-NH2 2.91Å; L95-R98 PolarHBondContact O-N 3.45Å; L96-R98 VanDerWaalsContact C-N 3.26Å; L96-R98 PolarHBondContact O-N 2.69Å; R98-F100 HydrophobicContact CB-CD2 3.68Å; R98-F100 HydrophobicContact CB-CE2 4.29Å; R98-F100 WeakPolarHBondContact O-CD2 3.29Å; R98-F100 PolarHBondContact O-N 3.11Å; R98-F100 VanDerWaalsContact O-N 3.15Å
99N51.8Low62.5Low151 Ų15174.2 Ų74.281%0.80736%0.363SS*.THydrogen-bonded Turntrans54.826-176-96.11.8000114L95 L96 V101L95-N99 PolarHBondContact O-N 3.15Å; L96-N99 PolarHBondContact O-N 3.2Å; N99-V101 PolarHBondContact O-N 3.01Å
100F51.2Low64.8Low121 Ų12169.9 Ų69.953%0.53134%0.34SS..  trans-89.9106.8174.6-84.5-80.7000109.7L95 R98 F102L95-F100 HydrophobicContact CD2-CB 4.09Å; L95-F100 PolarHBondContact O-N 3.08Å; L95-F100 VanDerWaalsContact O-N 3.11Å; R98-F100 HydrophobicContact CB-CD2 3.68Å; R98-F100 HydrophobicContact CB-CE2 4.29Å; R98-F100 WeakPolarHBondContact O-CD2 3.29Å; R98-F100 PolarHBondContact O-N 3.11Å; R98-F100 VanDerWaalsContact O-N 3.15Å; F100-F102 HydrophobicContact CB-CD2 4.12Å; F100-F102 HydrophobicContact CB-CE2 3.61Å; F100-F102 HydrophobicContact CB-CZ 4.22Å; F100-F102 HydrophobicContact CD1-CE1 4.35Å; F100-F102 AromaticContact CD1-CE2 3.82Å; F100-F102 HydrophobicContact CD1-CE2 3.82Å; F100-F102 AromaticContact CD1-CZ 3.52Å; F100-F102 HydrophobicContact CD1-CZ 3.52Å; F100-F102 HydrophobicContact CE1-CZ 4.24Å; F100-F102 AromaticContact CG-CE2 3.95Å; F100-F102 HydrophobicContact CG-CE2 3.95Å; F100-F102 HydrophobicContact CG-CZ 4.14Å
101V51.3Low66.8Low125 Ų12565 Ų6576%0.75831%0.314SS*.  trans-93.1105.4170.5-175.60000107.7N99N99-V101 PolarHBondContact O-N 3.01Å
102F56.1Low68.6Low44 Ų4462.2 Ų62.219%0.19330%0.299CS..PPolyproline II helixtrans-102.5139.7170-66.7-69.4000109.9A81 L95 F100A81-F102 HydrophobicContact CB-CD2 4.15Å; A81-F102 HydrophobicContact CB-CE2 4.24Å; A81-F102 HydrophobicContact CB-CG 4.33Å; L95-F102 HydrophobicContact CD2-CD2 3.77Å; L95-F102 HydrophobicContact CD2-CE2 3.7Å; F100-F102 HydrophobicContact CB-CD2 4.12Å; F100-F102 HydrophobicContact CB-CE2 3.61Å; F100-F102 HydrophobicContact CB-CZ 4.22Å; F100-F102 HydrophobicContact CD1-CE1 4.35Å; F100-F102 AromaticContact CD1-CE2 3.82Å; F100-F102 HydrophobicContact CD1-CE2 3.82Å; F100-F102 AromaticContact CD1-CZ 3.52Å; F100-F102 HydrophobicContact CD1-CZ 3.52Å; F100-F102 HydrophobicContact CE1-CZ 4.24Å; F100-F102 AromaticContact CG-CE2 3.95Å; F100-F102 HydrophobicContact CG-CE2 3.95Å; F100-F102 HydrophobicContact CG-CZ 4.14Å
103P58Low70.5Confident48 Ų4863.7 Ų63.731%0.31230%0.303SS..PPolyproline II helixtrans-64138.8168.326.3-31000110.2I15 F105I15-P103 HydrophobicContact CD1-CB 3.26Å; I15-P103 HydrophobicContact CD1-CG 3.87Å; I15-P103 HydrophobicContact CG1-CB 3.85Å; P103-F105 HydrophobicContact CB-CE1 4.38Å; P103-F105 HydrophobicContact CG-CE1 4Å; P103-F105 HydrophobicContact CG-CZ 3.88Å
104L66.1Low72.4Confident36 Ų3663 Ų6319%0.18830%0.298CS..EExtended strand (participates in β ladder)trans-83.8119.5172.6-68.3173.1000109L12 I15 I85 M92 R106L12-L104 HydrophobicContact CD1-CD1 3.93Å; I15-L104 PolarHBondContact N-O 3Å; I15-L104 VanDerWaalsContact N-O 3.07Å; I85-L104 HydrophobicContact CD1-CD2 4.47Å; M92-L104 HydrophobicContact CE-CD1 4.17Å; L104-R106 PolarHBondContact O-N 3.34Å
105F76.8Confident74.3Confident15 Ų1559.9 Ų59.97%0.06628%0.282CS..EExtended strand (participates in β ladder)trans-82.3116175.4-54.7-59.5000109.2I15 I17 S78 I79 P103 V108 V151I15-F105 HydrophobicContact CB-CD1 3.77Å; I15-F105 HydrophobicContact CB-CE1 4.06Å; I15-F105 HydrophobicContact CG2-CD1 3.8Å; I15-F105 HydrophobicContact CG2-CE1 3.9Å; I15-F105 CarbonylContact O-C 3.58Å; I15-F105 WeakPolarHBondContact O-CA 3.45Å; I17-F105 HydrophobicContact CD1-CD1 3.43Å; I17-F105 VanDerWaalsContact CD1-CD1 3.43Å; I17-F105 HydrophobicContact CD1-CD2 3.96Å; I17-F105 HydrophobicContact CD1-CE1 3.39Å; I17-F105 HydrophobicContact CD1-CE2 3.95Å; I17-F105 HydrophobicContact CD1-CG 3.74Å; I17-F105 HydrophobicContact CD1-CZ 3.67Å; I17-F105 HydrophobicContact CG1-CD1 3.56Å; I17-F105 HydrophobicContact CG1-CE1 3.71Å; I17-F105 HydrophobicContact CG1-CG 4.21Å; I17-F105 HydrophobicContact CG1-CZ 4.46Å; S78-F105 WeakPolarHBondContact O-CE2 3.42Å; I79-F105 WeakPolarHBondContact O-CD2 3.27Å; I79-F105 WeakPolarHBondContact O-CE2 3.47Å; P103-F105 HydrophobicContact CB-CE1 4.38Å; P103-F105 HydrophobicContact CG-CE1 4Å; P103-F105 HydrophobicContact CG-CZ 3.88Å; F105-V108 HydrophobicContact CB-CG2 4.45Å; F105-V151 WeakPolarHBondContact O-CG2 3.48Å
106R84.7Confident76.1Confident73 Ų7362.6 Ų62.628%0.27529%0.293SS..EExtended strand (participates in β ladder)trans-93.2-26.5176.8-171.2173.2175.3150.32.9112I15 L104 T152 N173I15-R106 PolarHBondContact O-N 3.26Å; L104-R106 PolarHBondContact O-N 3.34Å; R106-T152 PolarHBondContact O-N 2.76Å; R106-N173 PolarHBondContact NH2-O 3.13Å
107F90.9Very high78Confident3 Ų364.2 Ų64.21%0.01330%0.298CS..EExtended strand (participates in β ladder)trans-133137.6179.1-60.2-93.9000110.4I15 A16 I17 L33 V39 T152 I163 I167 T175I15-F107 PolarHBondContact O-N 2.9Å; A16-F107 CarbonylContact C-O 3.49Å; A16-F107 VanDerWaalsContact CA-O 3.32Å; A16-F107 WeakPolarHBondContact CA-O 3.39Å; A16-F107 HydrophobicContact CB-CB 3.75Å; I17-F107 PolarHBondContact N-O 3.16Å; L33-F107 HydrophobicContact CD2-CB 4.46Å; L33-F107 HydrophobicContact CD2-CD1 3.7Å; L33-F107 HydrophobicContact CD2-CD2 3.65Å; L33-F107 HydrophobicContact CD2-CE1 3.74Å; L33-F107 HydrophobicContact CD2-CE2 3.68Å; L33-F107 HydrophobicContact CD2-CG 3.67Å; L33-F107 HydrophobicContact CD2-CZ 3.74Å; V39-F107 HydrophobicContact CG1-CD2 4.27Å; V39-F107 HydrophobicContact CG2-CD2 4.29Å; V39-F107 HydrophobicContact CG2-CE2 3.93Å; F107-T152 CarbonylContact C-O 3.41Å; F107-T152 VanDerWaalsContact CA-O 3.32Å; F107-T152 WeakPolarHBondContact CA-O 3.5Å; F107-T152 VanDerWaalsContact CD1-CB 3.47Å; F107-T152 HydrophobicContact CD1-CG2 3.84Å; F107-T152 HydrophobicContact CE1-CG2 4.01Å; F107-I163 HydrophobicContact CE1-CG2 4.35Å; F107-I167 HydrophobicContact CE1-CG2 3.88Å; F107-I167 HydrophobicContact CZ-CG2 3.75Å; F107-T175 HydrophobicContact CE1-CG2 4.15Å
108V92.8Very high79.8Confident6 Ų655.3 Ų55.34%0.03627%0.266CS..EExtended strand (participates in β ladder)trans-130.2108.3171.5175.90000107.6I17 F105 L140 A144 V151 T152 V153 V154I17-V108 WeakPolarHBondContact O-CA 3.49Å; F105-V108 HydrophobicContact CB-CG2 4.45Å; V108-L140 HydrophobicContact CG1-CB 4.33Å; V108-L140 HydrophobicContact CG1-CD2 4.15Å; V108-A144 HydrophobicContact CB-CB 3.64Å; V108-A144 HydrophobicContact CG1-CB 3.96Å; V108-A144 HydrophobicContact CG2-CB 3.75Å; V108-V151 HydrophobicContact CB-CG1 4.4Å; V108-V151 HydrophobicContact CG2-CG1 3.84Å; V108-T152 PolarHBondContact N-O 3.01Å; V108-V153 CarbonylContact O-C 3.49Å; V108-V153 WeakPolarHBondContact O-CA 3.22Å; V108-V154 PolarHBondContact O-N 3.29Å
109V95.6Very high81.5Confident1 Ų149.7 Ų49.71%0.00625%0.249CC..EExtended strand (participates in β ladder)trans-107.6114179.3-173.40000108I17 I18 S19 V20 I26 L29 V154 Y160I17-V109 PolarHBondContact O-N 2.86Å; I18-V109 WeakPolarHBondContact CA-O 3.28Å; I18-V109 HydrophobicContact CG1-CB 4.32Å; I18-V109 HydrophobicContact CG1-CG2 4.48Å; I18-V109 HydrophobicContact CG2-CB 4.21Å; I18-V109 HydrophobicContact CG2-CG1 4.42Å; S19-V109 PolarHBondContact N-O 2.91Å; V20-V109 HydrophobicContact CG1-CG1 4.07Å; I26-V109 HydrophobicContact CD1-CG1 3.9Å; L29-V109 HydrophobicContact CD2-CG1 4.01Å; L29-V109 HydrophobicContact CD2-CG2 3.87Å; V109-V154 WeakPolarHBondContact CA-O 3.21Å; V109-V154 HydrophobicContact CB-CB 4.47Å; V109-V154 HydrophobicContact CG1-CB 4.28Å; V109-V154 HydrophobicContact CG2-CB 4.18Å; V109-V154 HydrophobicContact CG2-CG2 4.29Å; V109-Y160 HydrophobicContact CG1-CE1 3.93Å
110C95Very high83.3Confident1 Ų146.7 Ų46.71%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-148.5135-176.7178.10000112S19 G137 L141 V154 S155S19-C110 VanDerWaalsContact O-CA 3.24Å; S19-C110 WeakPolarHBondContact O-CA 3.44Å; S19-C110 PolarHBondContact O-SG 3.3Å; C110-G137 WeakPolarHBondContact SG-CA 3.29Å; C110-L141 HydrophobicContact CB-CD2 3.71Å; C110-L141 HydrophobicContact CB-CG 3.99Å; C110-V154 PolarHBondContact N-O 3.35Å; C110-S155 VanDerWaalsContact O-CA 3.31Å; C110-S155 WeakPolarHBondContact O-CA 3.46Å
111N93.6Very high85.1Confident12 Ų1242.9 Ų42.96%0.06423%0.231CC..EExtended strand (participates in β ladder)trans-132.4151.8166.361.744.8000108.7S19 V20 H21 D22S19-N111 PolarHBondContact O-N 2.8Å; V20-N111 WeakPolarHBondContact CA-OD1 3.27Å; V20-N111 WeakPolarHBondContact CB-OD1 3.49Å; H21-N111 WeakPolarHBondContact CA-OD1 3.42Å; H21-N111 PolarHBondContact N-OD1 3.22Å; D22-N111 PolarHBondContact N-OD1 3.29Å; D22-N111 PolarHBondContact O-ND2 2.86Å
112F93.4Very high86.7Confident13 Ų1343 Ų436%0.05723%0.234CC..  trans-85.7166.4-165.9-55.9-34.1000113.2H21 D134 V138 L141 W190 T191 Y194H21-F112 VanDerWaalsContact CB-O 3.26Å; H21-F112 WeakPolarHBondContact CB-O 3.24Å; F112-D134 WeakPolarHBondContact CA-OD2 3.29Å; F112-D134 HydrophobicContact CB-CB 4.21Å; F112-D134 HydrophobicContact CD1-CB 4.44Å; F112-V138 HydrophobicContact CD1-CG2 4.43Å; F112-V138 HydrophobicContact CE1-CB 4.47Å; F112-V138 HydrophobicContact CE1-CG2 3.87Å; F112-V138 HydrophobicContact CE2-CG2 4.05Å; F112-V138 HydrophobicContact CZ-CB 4.39Å; F112-V138 HydrophobicContact CZ-CG2 3.61Å; F112-L141 HydrophobicContact CE1-CD1 3.51Å; F112-L141 HydrophobicContact CE1-CG 4.13Å; F112-L141 HydrophobicContact CE2-CD1 4.48Å; F112-L141 HydrophobicContact CZ-CD1 3.51Å; F112-L141 HydrophobicContact CZ-CG 4.42Å; F112-W190 AromaticContact CD2-CD1 3.73Å; F112-W190 AromaticContact CD2-NE1 3.27Å; F112-W190 VanDerWaalsContact CD2-NE1 3.27Å; F112-W190 AromaticContact CE2-CD1 3.34Å; F112-W190 HydrophobicContact CE2-CG 4.27Å; F112-W190 AromaticContact CE2-NE1 3.43Å; F112-W190 AromaticContact CZ-CD1 3.96Å; F112-T191 HydrophobicContact CE2-CG2 4.31Å; F112-T191 HydrophobicContact CZ-CG2 3.68Å; F112-Y194 HydrophobicContact CB-CD2 4.27Å; F112-Y194 HydrophobicContact CB-CE2 3.78Å; F112-Y194 AromaticContact CD2-CD1 3.95Å; F112-Y194 HydrophobicContact CD2-CD1 3.95Å; F112-Y194 AromaticContact CD2-CD2 3.45Å; F112-Y194 HydrophobicContact CD2-CD2 3.45Å; F112-Y194 VanDerWaalsContact CD2-CD2 3.45Å; F112-Y194 HydrophobicContact CD2-CE1 4.27Å; F112-Y194 AromaticContact CD2-CE2 3.82Å; F112-Y194 HydrophobicContact CD2-CE2 3.82Å; F112-Y194 AromaticContact CD2-CG 3.5Å; F112-Y194 HydrophobicContact CD2-CG 3.5Å; F112-Y194 HydrophobicContact CE2-CD1 4.11Å; F112-Y194 HydrophobicContact CE2-CD2 4.18Å; F112-Y194 AromaticContact CE2-CG 3.77Å; F112-Y194 HydrophobicContact CE2-CG 3.77Å; F112-Y194 HydrophobicContact CG-CD2 4.26Å; F112-Y194 HydrophobicContact CG-CE2 4.17Å; F112-Y194 HydrophobicContact CG-CG 4.47Å
113Y91.1Very high88.1Confident70 Ų7052.9 Ų52.928%0.27527%0.27SS..  trans-56.3145.6160.4-59.6-18.9000111.1H21 F115 D134H21-Y113 HydrophobicContact CB-CD1 4.22Å; H21-Y113 AromaticContact ND1-CD1 3.68Å; Y113-F115 PolarHBondContact O-N 3.22Å; Y113-D134 HydrophobicContact CD2-CB 4.09Å; Y113-D134 HydrophobicContact CG-CB 4.25Å
114P92.6Very high89.6Confident30 Ų3052 Ų5220%0.19526%0.264CS..  trans-78.865.1-171.934.7-37.3000110.9H21 E116 E117 T118H21-P114 WeakPolarHBondContact NE2-CD 3.33Å; P114-E116 VanDerWaalsContact C-N 3.32Å; P114-E116 PolarHBondContact O-N 3.37Å; P114-E117 HydrophobicContact CB-CB 4.13Å; P114-E117 HydrophobicContact CB-CG 4.1Å; P114-E117 WeakPolarHBondContact CB-OE2 3.47Å; P114-E117 PolarHBondContact O-N 3.19Å; P114-T118 WeakPolarHBondContact O-CB 3.48Å; P114-T118 PolarHBondContact O-N 2.74Å; P114-T118 PolarHBondContact O-OG1 3.08Å
115F95.8Very high90.9Very high1 Ų152.8 Ų52.80%0.00428%0.276CS..Hα-helixtrans-60.2-41.3-177.1-176.4-98.5000111.7Y113 E117 T118 V119 A129 N132 I133 Y194 L197 I198 Y201Y113-F115 PolarHBondContact O-N 3.22Å; F115-E117 PolarHBondContact O-N 3.38Å; F115-T118 WeakPolarHBondContact O-CB 3.42Å; F115-T118 PolarHBondContact O-N 3.32Å; F115-V119 HydrophobicContact CD1-CG1 4.18Å; F115-V119 HydrophobicContact CD1-CG2 4.47Å; F115-V119 HydrophobicContact CD2-CG1 4.29Å; F115-V119 HydrophobicContact CE1-CG1 3.66Å; F115-V119 HydrophobicContact CE1-CG2 4.28Å; F115-V119 HydrophobicContact CE2-CG1 3.8Å; F115-V119 HydrophobicContact CG-CG1 4.47Å; F115-V119 HydrophobicContact CZ-CG1 3.46Å; F115-V119 VanDerWaalsContact CZ-CG1 3.46Å; F115-V119 WeakPolarHBondContact O-CG2 3.47Å; F115-V119 PolarHBondContact O-N 3.05Å; F115-A129 HydrophobicContact CE2-CB 4.42Å; F115-A129 WeakPolarHBondContact CE2-O 3.37Å; F115-N132 HydrophobicContact CD2-CB 4.25Å; F115-I133 HydrophobicContact CD2-CG1 3.94Å; F115-I133 HydrophobicContact CE2-CD1 4.29Å; F115-I133 HydrophobicContact CE2-CG1 3.6Å; F115-I133 HydrophobicContact CZ-CG1 4.37Å; F115-Y194 HydrophobicContact CB-CD2 4.49Å; F115-Y194 HydrophobicContact CB-CE2 3.53Å; F115-Y194 HydrophobicContact CG-CE2 4.49Å; F115-L197 HydrophobicContact CD1-CB 4.07Å; F115-L197 HydrophobicContact CE1-CB 4.25Å; F115-I198 HydrophobicContact CD1-CG1 3.91Å; F115-I198 HydrophobicContact CE1-CB 4.22Å; F115-I198 HydrophobicContact CE1-CG1 3.66Å; F115-I198 HydrophobicContact CE2-CG1 4.34Å; F115-I198 HydrophobicContact CG-CG1 4.37Å; F115-I198 HydrophobicContact CZ-CB 4.37Å; F115-I198 HydrophobicContact CZ-CG1 3.89Å; F115-Y201 HydrophobicContact CZ-CD1 4.23Å; F115-Y201 HydrophobicContact CZ-CG 4.17Å
116E93.5Very high91.6Very high93 Ų9355.2 Ų55.244%0.43529%0.289SS..Hα-helixtrans-57.3-48.2176.8-168.7172.4-175.200112.2P114 T118 V119 S120 L197P114-E116 VanDerWaalsContact C-N 3.32Å; P114-E116 PolarHBondContact O-N 3.37Å; E116-T118 VanDerWaalsContact C-N 3.33Å; E116-T118 PolarHBondContact O-N 2.66Å; E116-V119 PolarHBondContact O-N 2.8Å; E116-S120 VanDerWaalsContact O-CB 3.27Å; E116-S120 WeakPolarHBondContact O-CB 3.3Å; E116-S120 PolarHBondContact O-N 3.48Å; E116-S120 PolarHBondContact O-OG 2.91Å; E116-L197 HydrophobicContact CB-CD1 3.75Å; E116-L197 HydrophobicContact CG-CD1 4.07Å; E116-L197 HydrophobicContact CG-CD2 4.46Å
117E93.8Very high92Very high147 Ų14760.3 Ų60.369%0.68731%0.313SS*.Hα-helixtrans-64.3-41.4177.5-57.7176.1-177.600110.7P114 F115 S120 A121P114-E117 HydrophobicContact CB-CB 4.13Å; P114-E117 HydrophobicContact CB-CG 4.1Å; P114-E117 WeakPolarHBondContact CB-OE2 3.47Å; P114-E117 PolarHBondContact O-N 3.19Å; F115-E117 PolarHBondContact O-N 3.38Å; E117-S120 PolarHBondContact O-N 2.97Å; E117-A121 PolarHBondContact O-N 3.5Å
118T94.2Very high92.1Very high15 Ų1565 Ų659%0.09234%0.335CS..Hα-helixtrans-59.3-49.7178.3-56.90000111.1P114 F115 E116 S120 A121 V124 E128 N132P114-T118 WeakPolarHBondContact O-CB 3.48Å; P114-T118 PolarHBondContact O-N 2.74Å; P114-T118 PolarHBondContact O-OG1 3.08Å; F115-T118 WeakPolarHBondContact O-CB 3.42Å; F115-T118 PolarHBondContact O-N 3.32Å; E116-T118 VanDerWaalsContact C-N 3.33Å; E116-T118 PolarHBondContact O-N 2.66Å; T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 2.9Å; T118-A121 WeakPolarHBondContact O-CB 3.47Å; T118-A121 PolarHBondContact O-N 3.34Å; T118-V124 HydrophobicContact CG2-CG2 4Å; T118-V124 WeakPolarHBondContact O-CG2 3.49Å; T118-E128 HydrophobicContact CG2-CG 4.24Å; T118-N132 HydrophobicContact CG2-CB 4.1Å
119V92.9Very high92.2Very high38 Ų3864.7 Ų64.723%0.2333%0.334CS..Hα-helixtrans-78.1-16.9-178.1-58.50000113.7F115 E116 A121 A129 Y201F115-V119 HydrophobicContact CD1-CG1 4.18Å; F115-V119 HydrophobicContact CD1-CG2 4.47Å; F115-V119 HydrophobicContact CD2-CG1 4.29Å; F115-V119 HydrophobicContact CE1-CG1 3.66Å; F115-V119 HydrophobicContact CE1-CG2 4.28Å; F115-V119 HydrophobicContact CE2-CG1 3.8Å; F115-V119 HydrophobicContact CG-CG1 4.47Å; F115-V119 HydrophobicContact CZ-CG1 3.46Å; F115-V119 VanDerWaalsContact CZ-CG1 3.46Å; F115-V119 WeakPolarHBondContact O-CG2 3.47Å; F115-V119 PolarHBondContact O-N 3.05Å; E116-V119 PolarHBondContact O-N 2.8Å; V119-A121 VanDerWaalsContact C-N 3.3Å; V119-A129 HydrophobicContact CG1-CB 4.16Å; V119-Y201 HydrophobicContact CB-CD2 4Å; V119-Y201 HydrophobicContact CG1-CD2 3.65Å; V119-Y201 HydrophobicContact CG1-CE2 4.09Å; V119-Y201 HydrophobicContact CG1-CG 4.01Å
120S89.9Confident92.1Very high89 Ų8968 Ų6862%0.62235%0.351SS*.Hα-helixtrans-78.2-15.9172.5-61.60000112.7E116 E117 T118E116-S120 VanDerWaalsContact O-CB 3.27Å; E116-S120 WeakPolarHBondContact O-CB 3.3Å; E116-S120 PolarHBondContact O-N 3.48Å; E116-S120 PolarHBondContact O-OG 2.91Å; E117-S120 PolarHBondContact O-N 2.97Å; T118-S120 VanDerWaalsContact C-N 3.31Å; T118-S120 PolarHBondContact O-N 2.9Å
121A89.8Confident91.9Very high41 Ų4170 Ų7034%0.33937%0.367SS..SBendtrans-65.7137.1178.500000111.5E117 T118 V119 R123 V124E117-A121 PolarHBondContact O-N 3.5Å; T118-A121 WeakPolarHBondContact O-CB 3.47Å; T118-A121 PolarHBondContact O-N 3.34Å; V119-A121 VanDerWaalsContact C-N 3.3Å; A121-R123 PolarHBondContact O-N 2.93Å; A121-V124 PolarHBondContact O-N 3.23Å
122P84.5Confident91.9Very high126 Ų12671.2 Ų71.282%0.81837%0.374SS*.THydrogen-bonded Turntrans-58124.5176.9-23.933.1000111.7V124P122-V124 VanDerWaalsContact C-N 3.34Å; P122-V124 PolarHBondContact O-N 2.87Å
123R85.4Confident92Very high252 Ų25272 Ų7295%0.95138%0.379SS*.THydrogen-bonded Turntrans60.935.3174.6-50.6177.9-179.1-173.4-0.1114.4A121 A125A121-R123 PolarHBondContact O-N 2.93Å; R123-A125 PolarHBondContact O-N 2.9Å
124V89.6Confident92.1Very high30 Ų3069.4 Ų69.418%0.18237%0.369CS..  trans-48.7131.7170.9650000111.2T118 A121 P122 E128 A129 Y201T118-V124 HydrophobicContact CG2-CG2 4Å; T118-V124 WeakPolarHBondContact O-CG2 3.49Å; A121-V124 PolarHBondContact O-N 3.23Å; P122-V124 VanDerWaalsContact C-N 3.34Å; P122-V124 PolarHBondContact O-N 2.87Å; V124-E128 HydrophobicContact CG2-CB 4.22Å; V124-E128 HydrophobicContact CG2-CG 4.27Å; V124-A129 HydrophobicContact CG2-CB 4.22Å; V124-Y201 HydrophobicContact CG1-CE2 4.29Å
125A92.2Very high92Very high53 Ų5372.7 Ų72.744%0.43838%0.384SS..  trans-75.3141.9175.800000110.1R123 K127 E128 A129R123-A125 PolarHBondContact O-N 2.9Å; A125-K127 PolarHBondContact O-N 3.05Å; A125-E128 HydrophobicContact CB-CB 4.29Å; A125-E128 WeakPolarHBondContact O-CA 3.47Å; A125-E128 WeakPolarHBondContact O-CB 3.23Å; A125-E128 PolarHBondContact O-N 2.64Å; A125-A129 PolarHBondContact O-N 3.48Å
126D92.2Very high91.5Very high65 Ų6573 Ų7335%0.34839%0.387SS..Hα-helixtrans-55-40.7179.3-176.757.6000112.3E128 A129 L130 Y201 Y206D126-E128 VanDerWaalsContact C-N 3.27Å; D126-E128 PolarHBondContact O-N 3.15Å; D126-A129 PolarHBondContact O-N 3.3Å; D126-L130 WeakPolarHBondContact O-CB 3.46Å; D126-L130 VanDerWaalsContact O-CG 3.24Å; D126-L130 WeakPolarHBondContact O-CG 3.5Å; D126-L130 PolarHBondContact O-N 3.12Å; D126-Y201 WeakPolarHBondContact CA-OH 3.35Å; D126-Y201 PolarHBondContact OD1-OH 3.36Å; D126-Y206 WeakPolarHBondContact OD1-CE1 3.41Å; D126-Y206 PolarHBondContact OD1-OH 3.13Å
127K93.3Very high91.4Very high180 Ų18068.6 Ų68.678%0.78337%0.367SS*.Hα-helixtrans-59.1-36.1174.5-173.6-179.3177.7-175.60113.3A125 A131A125-K127 PolarHBondContact O-N 3.05Å; K127-A131 VanDerWaalsContact O-CB 3.31Å; K127-A131 WeakPolarHBondContact O-CB 3.37Å; K127-A131 PolarHBondContact O-N 2.86Å; K127-A131 VanDerWaalsContact O-N 3.13Å
128E93.6Very high91.4Very high101 Ų10162.4 Ų62.447%0.47234%0.339SS..Hα-helixtrans-74.7-44.1179.9-177.8-179.2177.700111.3T118 V124 A125 D126 A131 N132T118-E128 HydrophobicContact CG2-CG 4.24Å; V124-E128 HydrophobicContact CG2-CB 4.22Å; V124-E128 HydrophobicContact CG2-CG 4.27Å; A125-E128 HydrophobicContact CB-CB 4.29Å; A125-E128 WeakPolarHBondContact O-CA 3.47Å; A125-E128 WeakPolarHBondContact O-CB 3.23Å; A125-E128 PolarHBondContact O-N 2.64Å; D126-E128 VanDerWaalsContact C-N 3.27Å; D126-E128 PolarHBondContact O-N 3.15Å; E128-A131 PolarHBondContact O-N 2.92Å; E128-N132 PolarHBondContact O-N 3.39Å; E128-N132 PolarHBondContact O-ND2 3.45Å
129A94Very high91.3Very high0 Ų063 Ų630%035%0.346CS..Hα-helixtrans-59.5-50.5173.900000110.9F115 V119 V124 A125 D126 A131 N132 Y201F115-A129 HydrophobicContact CE2-CB 4.42Å; F115-A129 WeakPolarHBondContact CE2-O 3.37Å; V119-A129 HydrophobicContact CG1-CB 4.16Å; V124-A129 HydrophobicContact CG2-CB 4.22Å; A125-A129 PolarHBondContact O-N 3.48Å; D126-A129 PolarHBondContact O-N 3.3Å; A129-A131 VanDerWaalsContact C-N 3.26Å; A129-A131 PolarHBondContact O-N 3.27Å; A129-N132 PolarHBondContact O-N 3.17Å; A129-Y201 HydrophobicContact CB-CD1 4.48Å; A129-Y201 HydrophobicContact CB-CE1 3.74Å; A129-Y201 HydrophobicContact CB-CE2 4.05Å; A129-Y201 VanDerWaalsContact CB-CZ 3.47Å; A129-Y201 WeakPolarHBondContact CB-OH 3.36Å
130L93.5Very high91.1Very high70 Ų7061.4 Ų61.437%0.36634%0.336SS..Hα-helixtrans-61.4-32.6178.9-69.9178.7000113.2D126 N132 I133 M202 Y206D126-L130 WeakPolarHBondContact O-CB 3.46Å; D126-L130 VanDerWaalsContact O-CG 3.24Å; D126-L130 WeakPolarHBondContact O-CG 3.5Å; D126-L130 PolarHBondContact O-N 3.12Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 3.34Å; L130-I133 HydrophobicContact CD2-CD1 3.88Å; L130-M202 HydrophobicContact CD2-CE 3.82Å; L130-Y206 WeakPolarHBondContact CD2-OH 3.42Å
131A91.8Very high91.3Very high43 Ų4357.2 Ų57.236%0.35531%0.307SS..Hα-helixtrans-71.3-22.7176.500000113.3K127 E128 A129K127-A131 VanDerWaalsContact O-CB 3.31Å; K127-A131 WeakPolarHBondContact O-CB 3.37Å; K127-A131 PolarHBondContact O-N 2.86Å; K127-A131 VanDerWaalsContact O-N 3.13Å; E128-A131 PolarHBondContact O-N 2.92Å; A129-A131 VanDerWaalsContact C-N 3.26Å; A129-A131 PolarHBondContact O-N 3.27Å
132N92.7Very high91.5Very high38 Ų3861.6 Ų61.620%0.20331%0.314CS..THydrogen-bonded Turntrans-92.25.1179.2-82.4-78.9000113.9F115 T118 E128 A129 L130 D134 Y194F115-N132 HydrophobicContact CD2-CB 4.25Å; T118-N132 HydrophobicContact CG2-CB 4.1Å; E128-N132 PolarHBondContact O-N 3.39Å; E128-N132 PolarHBondContact O-ND2 3.45Å; A129-N132 PolarHBondContact O-N 3.17Å; L130-N132 VanDerWaalsContact C-N 3.28Å; L130-N132 PolarHBondContact O-N 3.34Å; N132-D134 PolarHBondContact O-N 2.91Å; N132-Y194 PolarHBondContact O-OH 3.36Å
133I94.9Very high91.7Very high31 Ų3156.1 Ų56.116%0.15928%0.28CS..  trans-76.1112.1171.2-64.4176000109F115 L130 I135 I198 M202F115-I133 HydrophobicContact CD2-CG1 3.94Å; F115-I133 HydrophobicContact CE2-CD1 4.29Å; F115-I133 HydrophobicContact CE2-CG1 3.6Å; F115-I133 HydrophobicContact CZ-CG1 4.37Å; L130-I133 HydrophobicContact CD2-CD1 3.88Å; I133-I135 HydrophobicContact CG2-CD1 3.83Å; I133-I135 PolarHBondContact O-N 3.02Å; I133-I198 HydrophobicContact CD1-CG2 3.91Å; I133-I198 HydrophobicContact CG1-CD1 4.24Å; I133-I198 HydrophobicContact CG1-CG1 4.27Å; I133-I198 HydrophobicContact CG2-CD1 3.8Å; I133-M202 HydrophobicContact CD1-CE 3.76Å
134D93.2Very high91.9Very high14 Ų1444.1 Ų44.18%0.07524%0.235CC..  trans-84.394.9-177.5-167.2-12.9000112.4F112 Y113 N132 G136 G137 V138 Y194F112-D134 WeakPolarHBondContact CA-OD2 3.29Å; F112-D134 HydrophobicContact CB-CB 4.21Å; F112-D134 HydrophobicContact CD1-CB 4.44Å; Y113-D134 HydrophobicContact CD2-CB 4.09Å; Y113-D134 HydrophobicContact CG-CB 4.25Å; N132-D134 PolarHBondContact O-N 2.91Å; D134-G136 PolarHBondContact OD1-N 2.94Å; D134-G137 PolarHBondContact OD1-N 3.42Å; D134-V138 WeakPolarHBondContact O-CG2 3.17Å; D134-Y194 HydrophobicContact CB-CE1 4.35Å; D134-Y194 PolarHBondContact N-OH 2.83Å
135I90.6Very high92.2Very high99 Ų9942.7 Ų42.751%0.50823%0.226SC..Hα-helixtrans-72.3-44176.7-55-59.9000111.6L75 I133 A139L75-I135 HydrophobicContact CD1-CG2 4.04Å; I133-I135 HydrophobicContact CG2-CD1 3.83Å; I133-I135 PolarHBondContact O-N 3.02Å; I135-A139 WeakPolarHBondContact O-CB 3.32Å; I135-A139 PolarHBondContact O-N 2.86Å; I135-A139 VanDerWaalsContact O-N 3.14Å
136G86.2Confident92.1Very high7 Ų745.9 Ų45.97%0.07223%0.23CC..Hα-helixtrans-71.6-43.9-171.300000112.5T74 D134 A139 L140T74-G136 WeakPolarHBondContact OG1-CA 3.31Å; D134-G136 PolarHBondContact OD1-N 2.94Å; G136-A139 PolarHBondContact O-N 3.46Å; G136-L140 WeakPolarHBondContact O-CB 3.48Å; G136-L140 WeakPolarHBondContact O-CD1 3.33Å; G136-L140 WeakPolarHBondContact O-CG 3.35Å; G136-L140 PolarHBondContact O-N 3.44Å
137G91.1Very high91.9Very high1 Ų143.2 Ų43.21%0.0122%0.216CC..Hα-helixtrans-63.8-45.1177.300000112.1C110 D134 A139 L140 L141C110-G137 WeakPolarHBondContact SG-CA 3.29Å; D134-G137 PolarHBondContact OD1-N 3.42Å; G137-A139 VanDerWaalsContact C-N 3.34Å; G137-A139 PolarHBondContact O-N 2.93Å; G137-L140 WeakPolarHBondContact O-CB 3.2Å; G137-L140 PolarHBondContact O-N 3.23Å; G137-L141 PolarHBondContact O-N 3.23Å
138V94.1Very high91.8Very high17 Ų1737.9 Ų37.910%0.10319%0.191CC..Hα-helixtrans-60.1-46177170.60000110.6F112 D134 L140 L141 R142 T191 Y194F112-V138 HydrophobicContact CD1-CG2 4.43Å; F112-V138 HydrophobicContact CE1-CB 4.47Å; F112-V138 HydrophobicContact CE1-CG2 3.87Å; F112-V138 HydrophobicContact CE2-CG2 4.05Å; F112-V138 HydrophobicContact CZ-CB 4.39Å; F112-V138 HydrophobicContact CZ-CG2 3.61Å; D134-V138 WeakPolarHBondContact O-CG2 3.17Å; V138-L140 PolarHBondContact O-N 3.13Å; V138-L141 PolarHBondContact O-N 2.69Å; V138-R142 HydrophobicContact CG1-CG 4.36Å; V138-R142 WeakPolarHBondContact O-CB 3.37Å; V138-R142 VanDerWaalsContact O-CG 3.26Å; V138-R142 WeakPolarHBondContact O-CG 3.38Å; V138-R142 PolarHBondContact O-N 3.02Å; V138-T191 HydrophobicContact CG1-CG2 4.28Å; V138-Y194 HydrophobicContact CG2-CD1 3.87Å; V138-Y194 HydrophobicContact CG2-CE1 4.11Å
139A91.4Very high91.5Very high28 Ų2837.9 Ų37.923%0.23119%0.191CC..Hα-helixtrans-62.3-4417800000112.2L75 F80 I135 G136 G137 A143L75-A139 HydrophobicContact CD2-CB 3.94Å; F80-A139 HydrophobicContact CE1-CB 3.84Å; F80-A139 HydrophobicContact CZ-CB 3.53Å; I135-A139 WeakPolarHBondContact O-CB 3.32Å; I135-A139 PolarHBondContact O-N 2.86Å; I135-A139 VanDerWaalsContact O-N 3.14Å; G136-A139 PolarHBondContact O-N 3.46Å; G137-A139 VanDerWaalsContact C-N 3.34Å; G137-A139 PolarHBondContact O-N 2.93Å; A139-A143 VanDerWaalsContact O-CB 3.3Å; A139-A143 WeakPolarHBondContact O-CB 3.46Å; A139-A143 PolarHBondContact O-N 3.46Å
140L89.9Confident91Very high5 Ų542 Ų423%0.02621%0.209CC..Hα-helixtrans-57.4-53.1175.7-88.2157.2000112.3I17 T74 I79 V108 G136 G137 V138 A143 A144I17-L140 HydrophobicContact CD1-CD2 4.45Å; I17-L140 HydrophobicContact CG2-CD2 4.05Å; T74-L140 HydrophobicContact CG2-CD1 3.46Å; T74-L140 VanDerWaalsContact CG2-CD1 3.46Å; T74-L140 HydrophobicContact CG2-CG 4.37Å; I79-L140 HydrophobicContact CG2-CD2 3.84Å; V108-L140 HydrophobicContact CG1-CB 4.33Å; V108-L140 HydrophobicContact CG1-CD2 4.15Å; G136-L140 WeakPolarHBondContact O-CB 3.48Å; G136-L140 WeakPolarHBondContact O-CD1 3.33Å; G136-L140 WeakPolarHBondContact O-CG 3.35Å; G136-L140 PolarHBondContact O-N 3.44Å; G137-L140 WeakPolarHBondContact O-CB 3.2Å; G137-L140 PolarHBondContact O-N 3.23Å; V138-L140 PolarHBondContact O-N 3.13Å; L140-A143 PolarHBondContact O-N 2.93Å; L140-A144 WeakPolarHBondContact O-CB 3.4Å; L140-A144 PolarHBondContact O-N 2.95Å
141L93.6Very high90.7Very high0 Ų038.7 Ų38.70%019%0.192CC..Hα-helixtrans-63.5-44-178.6-73.6-171.7000111.6C110 F112 G137 V138 A144 A145 V153 A187 T191C110-L141 HydrophobicContact CB-CD2 3.71Å; C110-L141 HydrophobicContact CB-CG 3.99Å; F112-L141 HydrophobicContact CE1-CD1 3.51Å; F112-L141 HydrophobicContact CE1-CG 4.13Å; F112-L141 HydrophobicContact CE2-CD1 4.48Å; F112-L141 HydrophobicContact CZ-CD1 3.51Å; F112-L141 HydrophobicContact CZ-CG 4.42Å; G137-L141 PolarHBondContact O-N 3.23Å; V138-L141 PolarHBondContact O-N 2.69Å; L141-A144 PolarHBondContact O-N 3.36Å; L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 3.41Å; L141-V153 HydrophobicContact CD2-CG2 3.44Å; L141-V153 VanDerWaalsContact CD2-CG2 3.44Å; L141-A187 HydrophobicContact CB-CB 4.49Å; L141-T191 HydrophobicContact CB-CG2 4.09Å; L141-T191 HydrophobicContact CD1-CG2 4.45Å
142R94.5Very high90.8Very high133 Ų13336.7 Ų36.750%0.50218%0.175SC..Hα-helixtrans-65.5-40179.6-68.2-177.573.7-128-0.1112.1V138 K146 F188 T191V138-R142 HydrophobicContact CG1-CG 4.36Å; V138-R142 WeakPolarHBondContact O-CB 3.37Å; V138-R142 VanDerWaalsContact O-CG 3.26Å; V138-R142 WeakPolarHBondContact O-CG 3.38Å; V138-R142 PolarHBondContact O-N 3.02Å; R142-K146 VanDerWaalsContact O-CB 3.28Å; R142-K146 WeakPolarHBondContact O-CB 3.08Å; R142-K146 PolarHBondContact O-N 2.87Å; R142-F188 HydrophobicContact CB-CE1 4.14Å; R142-F188 HydrophobicContact CG-CD1 4.37Å; R142-F188 HydrophobicContact CG-CE1 4.12Å; R142-T191 HydrophobicContact CG-CG2 3.8Å
143A88.7Confident90.9Very high11 Ų1134.9 Ų34.99%0.09117%0.166CC..Hα-helixtrans-64.3-48.4175.900000111.5F80 A139 L140 K146 N147F80-A143 HydrophobicContact CD1-CB 3.77Å; F80-A143 HydrophobicContact CE1-CB 4.13Å; A139-A143 VanDerWaalsContact O-CB 3.3Å; A139-A143 WeakPolarHBondContact O-CB 3.46Å; A139-A143 PolarHBondContact O-N 3.46Å; L140-A143 PolarHBondContact O-N 2.93Å; A143-K146 PolarHBondContact O-N 3.45Å; A143-N147 PolarHBondContact O-N 2.96Å
144A89.9Confident91Very high1 Ų133.5 Ų33.51%0.00816%0.159CC..Hα-helixtrans-63.5-44.2178.300000112.4V108 L140 L141 K146 N147 Y148 V151 V153V108-A144 HydrophobicContact CB-CB 3.64Å; V108-A144 HydrophobicContact CG1-CB 3.96Å; V108-A144 HydrophobicContact CG2-CB 3.75Å; L140-A144 WeakPolarHBondContact O-CB 3.4Å; L140-A144 PolarHBondContact O-N 2.95Å; L141-A144 PolarHBondContact O-N 3.36Å; A144-K146 PolarHBondContact O-N 2.99Å; A144-N147 CarbonylContact O-C 3.58Å; A144-N147 PolarHBondContact O-N 3.32Å; A144-N147 VanDerWaalsContact O-N 3.13Å; A144-Y148 PolarHBondContact O-N 3.26Å; A144-V151 HydrophobicContact CB-CG1 3.86Å; A144-V153 HydrophobicContact CB-CB 3.78Å; A144-V153 HydrophobicContact CB-CG2 3.82Å
145A94Very high91.2Very high0 Ų033.3 Ų33.30%016%0.158CC..Hα-helixtrans-65.3-36.5178.100000112.5L141 N147 Y148 V153 A184 A187 F188L141-A145 WeakPolarHBondContact O-CB 3.5Å; L141-A145 PolarHBondContact O-N 3.41Å; A145-N147 PolarHBondContact O-N 2.87Å; A145-Y148 WeakPolarHBondContact O-CB 3.49Å; A145-Y148 WeakPolarHBondContact O-CD1 3.34Å; A145-Y148 PolarHBondContact O-N 3.5Å; A145-V153 HydrophobicContact CB-CG1 4.15Å; A145-A184 HydrophobicContact CB-CB 4.09Å; A145-A187 HydrophobicContact CB-CB 3.86Å; A145-F188 HydrophobicContact CB-CD2 3.83Å; A145-F188 HydrophobicContact CB-CE1 4.41Å; A145-F188 HydrophobicContact CB-CE2 3.5Å; A145-F188 HydrophobicContact CB-CG 4.41Å; A145-F188 HydrophobicContact CB-CZ 3.82Å
146K91.7Very high91.4Very high120 Ų12031.4 Ų31.452%0.52215%0.15SC..Hα-helixtrans-60.3-35172.7178.2-176.4169.5-171.20111.6E84 R142 A143 A144 F188E84-K146 IonicContact OE1-NZ 2.75Å; E84-K146 PolarHBondContact OE1-NZ 2.93Å; E84-K146 IonicContact OE2-NZ 3.32Å; R142-K146 VanDerWaalsContact O-CB 3.28Å; R142-K146 WeakPolarHBondContact O-CB 3.08Å; R142-K146 PolarHBondContact O-N 2.87Å; A143-K146 PolarHBondContact O-N 3.45Å; A144-K146 PolarHBondContact O-N 2.99Å; K146-F188 HydrophobicContact CB-CZ 4.32Å
147N86.8Confident91.9Very high9 Ų933.2 Ų33.25%0.04816%0.157CC..THydrogen-bonded Turntrans-103.931.2-177.9-156.424.9000113.5G83 I85 A143 A144 A145 Q149 F150 V151G83-N147 WeakPolarHBondContact O-CB 3.41Å; G83-N147 VanDerWaalsContact O-CG 3.28Å; G83-N147 PolarHBondContact O-ND2 3.26Å; I85-N147 PolarHBondContact O-ND2 3.11Å; I85-N147 VanDerWaalsContact O-ND2 3.15Å; A143-N147 PolarHBondContact O-N 2.96Å; A144-N147 CarbonylContact O-C 3.58Å; A144-N147 PolarHBondContact O-N 3.32Å; A144-N147 VanDerWaalsContact O-N 3.13Å; A145-N147 PolarHBondContact O-N 2.87Å; N147-Q149 PolarHBondContact O-N 3.35Å; N147-F150 PolarHBondContact O-N 3.25Å; N147-F150 WeakPolarHBondContact OD1-CD2 3.23Å; N147-V151 HydrophobicContact CB-CG2 4.09Å; N147-V151 PolarHBondContact O-N 3.5Å
148Y91.7Very high92.1Very high67 Ų6736.8 Ų36.826%0.26318%0.182SC..THydrogen-bonded Turntrans-55.2-18.4-178.275.1-90.9000114.5A144 A145 F150 V151 L177 R180 Q181 A184A144-Y148 PolarHBondContact O-N 3.26Å; A145-Y148 WeakPolarHBondContact O-CB 3.49Å; A145-Y148 WeakPolarHBondContact O-CD1 3.34Å; A145-Y148 PolarHBondContact O-N 3.5Å; Y148-F150 PolarHBondContact O-N 2.96Å; Y148-V151 WeakPolarHBondContact CA-O 3.46Å; Y148-L177 HydrophobicContact CD2-CD1 4.2Å; Y148-L177 HydrophobicContact CE2-CD1 3.99Å; Y148-R180 VanDerWaalsContact O-CB 3.27Å; Y148-R180 WeakPolarHBondContact O-CB 3.49Å; Y148-R180 WeakPolarHBondContact O-CD 3.42Å; Y148-R180 PolarHBondContact O-NE 3.24Å; Y148-Q181 HydrophobicContact CD2-CG 3.72Å; Y148-Q181 HydrophobicContact CE2-CG 3.37Å; Y148-A184 HydrophobicContact CD1-CB 4.35Å; Y148-A184 HydrophobicContact CG-CB 4.07Å
149Q87.4Confident92.3Very high101 Ų10136.7 Ų36.747%0.47218%0.181SC..THydrogen-bonded Turntrans-59-32.4175.7-68.1-179.2-17.700111.5N147 R180N147-Q149 PolarHBondContact O-N 3.35Å; Q149-R180 PolarHBondContact O-NE 3.49Å; Q149-R180 PolarHBondContact O-NH2 3.12Å
150F83Confident92.5Very high86 Ų8635.9 Ų35.938%0.37717%0.172SC..THydrogen-bonded Turntrans-121.6-27.8-176.5-51.5-70.1000113.5T87 N147 Y148T87-F150 HydrophobicContact CG2-CD1 4.48Å; T87-F150 HydrophobicContact CG2-CE1 4.46Å; T87-F150 WeakPolarHBondContact OG1-CE1 3.41Å; T87-F150 WeakPolarHBondContact OG1-CE2 3.44Å; T87-F150 WeakPolarHBondContact OG1-CZ 3.34Å; N147-F150 PolarHBondContact O-N 3.25Å; N147-F150 WeakPolarHBondContact OD1-CD2 3.23Å; Y148-F150 PolarHBondContact O-N 2.96Å
151V87.5Confident92.8Very high1 Ų139.5 Ų39.51%0.00620%0.198CC..  trans-104.5129.5-174.5-169.80000110.8F105 V108 A144 N147 Y148 V153 R180F105-V151 WeakPolarHBondContact O-CG2 3.48Å; V108-V151 HydrophobicContact CB-CG1 4.4Å; V108-V151 HydrophobicContact CG2-CG1 3.84Å; A144-V151 HydrophobicContact CB-CG1 3.86Å; N147-V151 HydrophobicContact CB-CG2 4.09Å; N147-V151 PolarHBondContact O-N 3.5Å; Y148-V151 WeakPolarHBondContact CA-O 3.46Å; V151-V153 PolarHBondContact O-N 2.89Å; V151-R180 WeakPolarHBondContact O-CD 3.08Å
152T94Very high93Very high1 Ų142.5 Ų42.51%0.00621%0.213CC..EExtended strand (participates in β ladder)trans-86.6103.9167.3-54.80000108.9R106 F107 V108 V154 I163 T175 L183R106-T152 PolarHBondContact O-N 2.76Å; F107-T152 CarbonylContact C-O 3.41Å; F107-T152 VanDerWaalsContact CA-O 3.32Å; F107-T152 WeakPolarHBondContact CA-O 3.5Å; F107-T152 VanDerWaalsContact CD1-CB 3.47Å; F107-T152 HydrophobicContact CD1-CG2 3.84Å; F107-T152 HydrophobicContact CE1-CG2 4.01Å; V108-T152 PolarHBondContact N-O 3.01Å; T152-V154 HydrophobicContact CG2-CG2 4.13Å; T152-I163 HydrophobicContact CG2-CD1 3.71Å; T152-T175 HydrophobicContact CG2-CG2 3.75Å; T152-T175 PolarHBondContact OG1-OG1 3.26Å; T152-L183 HydrophobicContact CG2-CD1 3.87Å
153V95.6Very high93Very high1 Ų136.2 Ų36.21%0.00619%0.19CC..EExtended strand (participates in β ladder)trans-84.1139.9171.764.30000109.8V108 L141 A144 A145 V151 L183 A184 A187V108-V153 CarbonylContact O-C 3.49Å; V108-V153 WeakPolarHBondContact O-CA 3.22Å; L141-V153 HydrophobicContact CD2-CG2 3.44Å; L141-V153 VanDerWaalsContact CD2-CG2 3.44Å; A144-V153 HydrophobicContact CB-CB 3.78Å; A144-V153 HydrophobicContact CB-CG2 3.82Å; A145-V153 HydrophobicContact CB-CG1 4.15Å; V151-V153 PolarHBondContact O-N 2.89Å; V153-L183 HydrophobicContact CG1-CB 4.11Å; V153-L183 WeakPolarHBondContact O-CB 3.43Å; V153-L183 WeakPolarHBondContact O-CD1 3.38Å; V153-A184 HydrophobicContact CG1-CB 4.39Å; V153-A187 HydrophobicContact CG1-CB 4.03Å; V153-A187 HydrophobicContact CG2-CB 3.89Å
154V97.3Very high93.3Very high1 Ų137.5 Ų37.51%0.00620%0.195CC..EExtended strand (participates in β ladder)trans-135.3110.9176.8-172.30000108.2V108 V109 C110 T152 D159 Y160 I163V108-V154 PolarHBondContact O-N 3.29Å; V109-V154 WeakPolarHBondContact CA-O 3.21Å; V109-V154 HydrophobicContact CB-CB 4.47Å; V109-V154 HydrophobicContact CG1-CB 4.28Å; V109-V154 HydrophobicContact CG2-CB 4.18Å; V109-V154 HydrophobicContact CG2-CG2 4.29Å; C110-V154 PolarHBondContact N-O 3.35Å; T152-V154 HydrophobicContact CG2-CG2 4.13Å; V154-D159 HydrophobicContact CG1-CB 4.33Å; V154-Y160 HydrophobicContact CG1-CD1 3.8Å; V154-Y160 HydrophobicContact CG1-CE1 3.69Å; V154-I163 HydrophobicContact CG2-CD1 4.33Å; V154-I163 HydrophobicContact CG2-CG1 3.93Å
155S96.4Very high93.6Very high10 Ų1042.6 Ų42.67%0.0722%0.222CC..  trans-102.5-10.6-176.761.90000114.4C110C110-S155 VanDerWaalsContact O-CA 3.31Å; C110-S155 WeakPolarHBondContact O-CA 3.46Å
156D95.3Very high93.6Very high60 Ų6043.5 Ų43.532%0.32123%0.226SC..  trans-139.1137.2-168-173.4-10.9000110.3S158 D159 K186D156-S158 VanDerWaalsContact CG-OG 3.3Å; D156-S158 PolarHBondContact O-N 2.96Å; D156-S158 PolarHBondContact OD1-N 2.91Å; D156-S158 PolarHBondContact OD1-OG 2.94Å; D156-S158 PolarHBondContact OD2-OG 3.25Å; D156-D159 PolarHBondContact O-N 2.98Å; D156-K186 IonicContact OD2-NZ 3.24Å; D156-K186 PolarHBondContact OD2-NZ 3Å
157L95.5Very high93.6Very high45 Ų4538.4 Ų38.424%0.23621%0.205CC..G310 helixtrans-66.9-26.2-178.3-62.581.1000111.8D22 K24 D159 Y160D22-L157 HydrophobicContact CB-CD1 4.4Å; D22-L157 HydrophobicContact CB-CD2 4.23Å; D22-L157 WeakPolarHBondContact OD2-CD2 3.2Å; K24-L157 HydrophobicContact CB-CD2 3.71Å; K24-L157 HydrophobicContact CG-CD2 4.45Å; K24-L157 VanDerWaalsContact O-CD2 3.3Å; K24-L157 WeakPolarHBondContact O-CD2 3.44Å; L157-D159 PolarHBondContact O-N 3.11Å; L157-Y160 HydrophobicContact CB-CE2 4.3Å; L157-Y160 HydrophobicContact CG-CE2 4.23Å; L157-Y160 PolarHBondContact O-N 3.41Å
158S96.1Very high93.8Very high76 Ų7641.7 Ų41.753%0.53123%0.225SC..G310 helixtrans-60.8-25.6178.270.90000113.1D156 K186D156-S158 VanDerWaalsContact CG-OG 3.3Å; D156-S158 PolarHBondContact O-N 2.96Å; D156-S158 PolarHBondContact OD1-N 2.91Å; D156-S158 PolarHBondContact OD1-OG 2.94Å; D156-S158 PolarHBondContact OD2-OG 3.25Å; S158-K186 PolarHBondContact OG-NZ 2.74Å
159D97.3Very high93.7Very high15 Ų1540.1 Ų40.18%0.0822%0.224CC..G310 helixtrans-87.6-8.4-173.1-57.5-25.9000112.2V154 D156 L157 S161 L162 I163 L183 K186V154-D159 HydrophobicContact CG1-CB 4.33Å; D156-D159 PolarHBondContact O-N 2.98Å; L157-D159 PolarHBondContact O-N 3.11Å; D159-S161 VanDerWaalsContact C-N 3.3Å; D159-S161 PolarHBondContact O-N 3.13Å; D159-L162 WeakPolarHBondContact O-CB 3.28Å; D159-L162 PolarHBondContact O-N 3.44Å; D159-L162 VanDerWaalsContact O-N 3.11Å; D159-I163 WeakPolarHBondContact O-CG1 3.49Å; D159-I163 PolarHBondContact O-N 3.42Å; D159-L183 HydrophobicContact CB-CD2 3.92Å; D159-L183 WeakPolarHBondContact OD2-CD2 3.43Å; D159-K186 IonicContact OD1-NZ 2.74Å; D159-K186 PolarHBondContact OD1-NZ 3.11Å; D159-K186 WeakPolarHBondContact OD2-CE 3.44Å; D159-K186 IonicContact OD2-NZ 2.92Å; D159-K186 PolarHBondContact OD2-NZ 2.83Å
160Y97.3Very high93.6Very high11 Ų1141.2 Ų41.24%0.04324%0.239CC..Hα-helixtrans-58.2-43.3-176.3-69.12.6000111.7K24 I26 L29 V109 V154 L157 L162 I163 I164K24-Y160 WeakPolarHBondContact O-CE2 3.27Å; I26-Y160 HydrophobicContact CD1-CE2 4.23Å; L29-Y160 HydrophobicContact CB-CD2 4.27Å; L29-Y160 HydrophobicContact CB-CG 4.38Å; L29-Y160 HydrophobicContact CD2-CD1 3.66Å; L29-Y160 HydrophobicContact CD2-CD2 4.25Å; L29-Y160 HydrophobicContact CD2-CE1 3.77Å; L29-Y160 HydrophobicContact CD2-CE2 4.37Å; L29-Y160 HydrophobicContact CD2-CG 3.91Å; V109-Y160 HydrophobicContact CG1-CE1 3.93Å; V154-Y160 HydrophobicContact CG1-CD1 3.8Å; V154-Y160 HydrophobicContact CG1-CE1 3.69Å; L157-Y160 HydrophobicContact CB-CE2 4.3Å; L157-Y160 HydrophobicContact CG-CE2 4.23Å; L157-Y160 PolarHBondContact O-N 3.41Å; Y160-L162 VanDerWaalsContact C-N 3.34Å; Y160-L162 PolarHBondContact O-N 2.73Å; Y160-I163 PolarHBondContact O-N 2.88Å; Y160-I164 WeakPolarHBondContact O-CB 3.28Å; Y160-I164 WeakPolarHBondContact O-CD1 3.26Å; Y160-I164 WeakPolarHBondContact O-CG1 3.45Å; Y160-I164 PolarHBondContact O-N 3.05Å
161S96.2Very high93.7Very high81 Ų8144.2 Ų44.257%0.56626%0.259SS*.Hα-helixtrans-62.3-40.2178.3-57.30000112.4D159 N165D159-S161 VanDerWaalsContact C-N 3.3Å; D159-S161 PolarHBondContact O-N 3.13Å; S161-N165 WeakPolarHBondContact O-CB 3.48Å; S161-N165 PolarHBondContact O-N 3.04Å; S161-N165 PolarHBondContact O-ND2 3.26Å
162L96.2Very high93.4Very high62 Ų6247.2 Ų47.233%0.32528%0.275SS..Hα-helixtrans-62.1-48.7175.9174.364.5000110.5D159 Y160 N165 E166 T179 M182D159-L162 WeakPolarHBondContact O-CB 3.28Å; D159-L162 PolarHBondContact O-N 3.44Å; D159-L162 VanDerWaalsContact O-N 3.11Å; Y160-L162 VanDerWaalsContact C-N 3.34Å; Y160-L162 PolarHBondContact O-N 2.73Å; L162-N165 PolarHBondContact O-N 3.13Å; L162-E166 HydrophobicContact CD1-CG 4.48Å; L162-E166 PolarHBondContact O-N 3.01Å; L162-T179 HydrophobicContact CD2-CG2 4.07Å; L162-T179 HydrophobicContact CG-CG2 4.45Å; L162-M182 HydrophobicContact CD2-CE 3.53Å
163I95.5Very high92.8Very high1 Ų154.4 Ų54.41%0.00531%0.314CS..Hα-helixtrans-61.2-47.9178.9-62.7-54.6000111.2L29 F107 T152 V154 D159 Y160 N165 E166 I167 T175 T179 L183L29-I163 HydrophobicContact CD1-CB 4.24Å; L29-I163 HydrophobicContact CD1-CG2 3.86Å; F107-I163 HydrophobicContact CE1-CG2 4.35Å; T152-I163 HydrophobicContact CG2-CD1 3.71Å; V154-I163 HydrophobicContact CG2-CD1 4.33Å; V154-I163 HydrophobicContact CG2-CG1 3.93Å; D159-I163 WeakPolarHBondContact O-CG1 3.49Å; D159-I163 PolarHBondContact O-N 3.42Å; Y160-I163 PolarHBondContact O-N 2.88Å; I163-N165 VanDerWaalsContact C-N 3.28Å; I163-N165 PolarHBondContact O-N 3.32Å; I163-E166 PolarHBondContact O-N 3.11Å; I163-I167 HydrophobicContact CG2-CD1 4.37Å; I163-I167 HydrophobicContact CG2-CG2 4.19Å; I163-I167 VanDerWaalsContact O-CG1 3.32Å; I163-I167 WeakPolarHBondContact O-CG1 3.19Å; I163-I167 WeakPolarHBondContact O-CG2 3.22Å; I163-I167 PolarHBondContact O-N 3.46Å; I163-T175 HydrophobicContact CD1-CG2 3.92Å; I163-T179 HydrophobicContact CD1-CG2 4.07Å; I163-L183 HydrophobicContact CD1-CD1 3.53Å
164I95.5Very high92.3Very high39 Ų3955 Ų5520%0.232%0.319CS..Hα-helixtrans-56-46.5178.1-69.8165.9000109.9Q28 L29 A32 Y160 E166 I167 T168Q28-I164 HydrophobicContact CB-CD1 4.48Å; L29-I164 HydrophobicContact CB-CD1 4.46Å; L29-I164 HydrophobicContact CD1-CD1 4.41Å; L29-I164 HydrophobicContact CD1-CG1 3.83Å; A32-I164 HydrophobicContact CB-CB 4.37Å; A32-I164 HydrophobicContact CB-CG1 3.82Å; A32-I164 HydrophobicContact CB-CG2 4Å; Y160-I164 WeakPolarHBondContact O-CB 3.28Å; Y160-I164 WeakPolarHBondContact O-CD1 3.26Å; Y160-I164 WeakPolarHBondContact O-CG1 3.45Å; Y160-I164 PolarHBondContact O-N 3.05Å; I164-E166 PolarHBondContact O-N 2.98Å; I164-I167 WeakPolarHBondContact O-CG1 3.41Å; I164-I167 PolarHBondContact O-N 3.36Å; I164-T168 HydrophobicContact CG2-CG2 4.44Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 WeakPolarHBondContact O-CG2 3.33Å; I164-T168 PolarHBondContact O-N 3.35Å; I164-T168 VanDerWaalsContact O-N 3.08Å; I164-T168 PolarHBondContact O-OG1 3.19Å
165N94.6Very high92.1Very high108 Ų10855.4 Ų55.458%0.57832%0.322SS*.Hα-helixtrans-63.3-42.7179.9-69.9-15.8000112S161 L162 I163 S169S161-N165 WeakPolarHBondContact O-CB 3.48Å; S161-N165 PolarHBondContact O-N 3.04Å; S161-N165 PolarHBondContact O-ND2 3.26Å; L162-N165 PolarHBondContact O-N 3.13Å; I163-N165 VanDerWaalsContact C-N 3.28Å; I163-N165 PolarHBondContact O-N 3.32Å; N165-S169 WeakPolarHBondContact O-CB 3.49Å; N165-S169 PolarHBondContact O-N 3.34Å; N165-S169 VanDerWaalsContact O-N 3.14Å
166E94.4Very high92Very high19 Ų1956.9 Ų56.99%0.08933%0.331CS..Hα-helixtrans-68.1-42.8179.1-72.2-164.4165.900112.8L162 I163 I164 T168 S169 L172 T175 T176 T179L162-E166 HydrophobicContact CD1-CG 4.48Å; L162-E166 PolarHBondContact O-N 3.01Å; I163-E166 PolarHBondContact O-N 3.11Å; I164-E166 PolarHBondContact O-N 2.98Å; E166-T168 VanDerWaalsContact C-N 3.34Å; E166-T168 PolarHBondContact O-N 3.48Å; E166-S169 PolarHBondContact O-N 2.94Å; E166-L172 HydrophobicContact CB-CD1 4.09Å; E166-L172 HydrophobicContact CG-CD1 4.06Å; E166-T175 HydrophobicContact CB-CG2 4.45Å; E166-T175 WeakPolarHBondContact OE2-CA 3.35Å; E166-T175 VanDerWaalsContact OE2-CB 3.24Å; E166-T175 WeakPolarHBondContact OE2-CB 3.36Å; E166-T175 WeakPolarHBondContact OE2-CG2 3.39Å; E166-T176 PolarHBondContact OE1-OG1 3.49Å; E166-T176 PolarHBondContact OE2-N 3.31Å; E166-T179 WeakPolarHBondContact OE1-CB 3.44Å; E166-T179 PolarHBondContact OE1-OG1 3.04Å; E166-T179 WeakPolarHBondContact OE2-CB 3.47Å; E166-T179 WeakPolarHBondContact OE2-CG2 3.4Å; E166-T179 PolarHBondContact OE2-OG1 3.2Å
167I91.9Very high91.9Very high13 Ų1358.1 Ų58.17%0.06734%0.337CS..Hα-helixtrans-76.7-20.8-176.569.7-177000113.7A32 L33 F107 I163 I164 T175A32-I167 HydrophobicContact CB-CD1 4.04Å; L33-I167 HydrophobicContact CD2-CD1 3.71Å; L33-I167 HydrophobicContact CG-CD1 3.99Å; F107-I167 HydrophobicContact CE1-CG2 3.88Å; F107-I167 HydrophobicContact CZ-CG2 3.75Å; I163-I167 HydrophobicContact CG2-CD1 4.37Å; I163-I167 HydrophobicContact CG2-CG2 4.19Å; I163-I167 VanDerWaalsContact O-CG1 3.32Å; I163-I167 WeakPolarHBondContact O-CG1 3.19Å; I163-I167 WeakPolarHBondContact O-CG2 3.22Å; I163-I167 PolarHBondContact O-N 3.46Å; I164-I167 WeakPolarHBondContact O-CG1 3.41Å; I164-I167 PolarHBondContact O-N 3.36Å; I167-T175 HydrophobicContact CG2-CG2 4.21Å
168T90.6Very high91.9Very high77 Ų7763.2 Ų63.247%0.47236%0.359SS..Hα-helixtrans-96.8-8.4176.959.30000112.8A32 I164 E166A32-T168 HydrophobicContact CB-CG2 4.47Å; I164-T168 HydrophobicContact CG2-CG2 4.44Å; I164-T168 WeakPolarHBondContact O-CB 3.41Å; I164-T168 WeakPolarHBondContact O-CG2 3.33Å; I164-T168 PolarHBondContact O-N 3.35Å; I164-T168 VanDerWaalsContact O-N 3.08Å; I164-T168 PolarHBondContact O-OG1 3.19Å; E166-T168 VanDerWaalsContact C-N 3.34Å; E166-T168 PolarHBondContact O-N 3.48Å
169S90.6Very high92Very high34 Ų3460.2 Ų60.224%0.23834%0.338CS..  trans-67.6128.2176.3179.10000111N165 E166 D171 L172N165-S169 WeakPolarHBondContact O-CB 3.49Å; N165-S169 PolarHBondContact O-N 3.34Å; N165-S169 VanDerWaalsContact O-N 3.14Å; E166-S169 PolarHBondContact O-N 2.94Å; S169-D171 PolarHBondContact O-N 2.83Å; S169-D171 PolarHBondContact OG-N 2.96Å; S169-L172 PolarHBondContact O-N 3.32Å
170P84.3Confident92Very high124 Ų12461.2 Ų61.281%0.80534%0.341SS*.THydrogen-bonded Turntrans-68.2-21.2176.928.6-34.5000113L172P170-L172 VanDerWaalsContact C-N 3.35Å
171D85.5Confident92Very high149 Ų14964.9 Ų64.980%0.79736%0.358SS*.THydrogen-bonded Turntrans-85.2-10.6-178.1-60.8-40000112.8S169S169-D171 PolarHBondContact O-N 2.83Å; S169-D171 PolarHBondContact OG-N 2.96Å
172L82.3Confident92.1Very high65 Ų6564.9 Ų64.934%0.3435%0.35SS..  trans-117.6133.1-176.5-61.6177.8000110.7E166 S169 P170 G174 T176E166-L172 HydrophobicContact CB-CD1 4.09Å; E166-L172 HydrophobicContact CG-CD1 4.06Å; S169-L172 PolarHBondContact O-N 3.32Å; P170-L172 VanDerWaalsContact C-N 3.35Å; L172-G174 WeakPolarHBondContact CB-O 3.27Å; L172-G174 PolarHBondContact O-N 2.75Å; L172-T176 HydrophobicContact CD1-CG2 4.23Å; L172-T176 HydrophobicContact CD2-CG2 4.07Å
173N79.9Confident92.2Very high152 Ų15261.9 Ų61.981%0.81334%0.335SS*.SBendtrans-86.252.5172.5-167.814000110.8R106R106-N173 PolarHBondContact NH2-O 3.13Å
174G85.9Confident92.3Very high12 Ų1262.1 Ų62.112%0.12434%0.336CS..SBendtrans92.6-158.2-171.100000113.7L172L172-G174 WeakPolarHBondContact CB-O 3.27Å; L172-G174 PolarHBondContact O-N 2.75Å
175T92.5Very high92.4Very high10 Ų1064 Ų646%0.06135%0.35CS..SBendtrans-64.6151-174.855.70000113.8F107 T152 I163 E166 I167 R180F107-T175 HydrophobicContact CE1-CG2 4.15Å; T152-T175 HydrophobicContact CG2-CG2 3.75Å; T152-T175 PolarHBondContact OG1-OG1 3.26Å; I163-T175 HydrophobicContact CD1-CG2 3.92Å; E166-T175 HydrophobicContact CB-CG2 4.45Å; E166-T175 WeakPolarHBondContact OE2-CA 3.35Å; E166-T175 VanDerWaalsContact OE2-CB 3.24Å; E166-T175 WeakPolarHBondContact OE2-CB 3.36Å; E166-T175 WeakPolarHBondContact OE2-CG2 3.39Å; I167-T175 HydrophobicContact CG2-CG2 4.21Å; T175-R180 PolarHBondContact O-NH1 2.85Å; T175-R180 WeakPolarHBondContact OG1-CG 3.45Å; T175-R180 PolarHBondContact OG1-NH1 3.44Å
176T93.8Very high92.5Very high41 Ų4161.1 Ų61.125%0.25233%0.332SS..  trans-76.9158.3174.467.50000111.2E166 L172 E178 T179 R180E166-T176 PolarHBondContact OE1-OG1 3.49Å; E166-T176 PolarHBondContact OE2-N 3.31Å; L172-T176 HydrophobicContact CD1-CG2 4.23Å; L172-T176 HydrophobicContact CD2-CG2 4.07Å; T176-E178 VanDerWaalsContact C-N 3.28Å; T176-E178 PolarHBondContact O-N 3.1Å; T176-T179 PolarHBondContact O-N 2.97Å; T176-T179 VanDerWaalsContact OG1-CB 3.32Å; T176-T179 WeakPolarHBondContact OG1-CB 3.4Å; T176-T179 PolarHBondContact OG1-N 3.32Å; T176-T179 VanDerWaalsContact OG1-N 3.08Å; T176-T179 PolarHBondContact OG1-OG1 2.8Å; T176-R180 WeakPolarHBondContact O-CG 3.46Å; T176-R180 PolarHBondContact O-N 2.7Å; T176-R180 VanDerWaalsContact O-N 3.08Å; T176-R180 PolarHBondContact O-NH1 3.41Å
177L94.1Very high92.7Very high86 Ų8660.2 Ų60.245%0.4533%0.328SS..Hα-helixtrans-62.7-38.8173.6179.462000111.4Y148 R180 Q181Y148-L177 HydrophobicContact CD2-CD1 4.2Å; Y148-L177 HydrophobicContact CE2-CD1 3.99Å; L177-R180 PolarHBondContact O-N 3.38Å; L177-Q181 HydrophobicContact CD1-CG 4.48Å; L177-Q181 HydrophobicContact CG-CG 4.5Å; L177-Q181 WeakPolarHBondContact O-CG 3.38Å; L177-Q181 PolarHBondContact O-N 3.4Å
178E96.2Very high93Very high152 Ų15263.5 Ų63.571%0.7134%0.341SS*.Hα-helixtrans-60.3-47.2177.4-176.6175-175.300111.4T176 R180 Q181 M182T176-E178 VanDerWaalsContact C-N 3.28Å; T176-E178 PolarHBondContact O-N 3.1Å; E178-R180 PolarHBondContact O-N 3.45Å; E178-Q181 WeakPolarHBondContact O-CB 3.37Å; E178-Q181 PolarHBondContact O-N 2.99Å; E178-M182 PolarHBondContact O-N 3.49Å
179T97.4Very high93.2Very high13 Ų1365.9 Ų65.98%0.0835%0.347CS..Hα-helixtrans-61.6-43.3174.9-70.90000111.6L162 I163 E166 T176 Q181 M182 L183L162-T179 HydrophobicContact CD2-CG2 4.07Å; L162-T179 HydrophobicContact CG-CG2 4.45Å; I163-T179 HydrophobicContact CD1-CG2 4.07Å; E166-T179 WeakPolarHBondContact OE1-CB 3.44Å; E166-T179 PolarHBondContact OE1-OG1 3.04Å; E166-T179 WeakPolarHBondContact OE2-CB 3.47Å; E166-T179 WeakPolarHBondContact OE2-CG2 3.4Å; E166-T179 PolarHBondContact OE2-OG1 3.2Å; T176-T179 PolarHBondContact O-N 2.97Å; T176-T179 VanDerWaalsContact OG1-CB 3.32Å; T176-T179 WeakPolarHBondContact OG1-CB 3.4Å; T176-T179 PolarHBondContact OG1-N 3.32Å; T176-T179 VanDerWaalsContact OG1-N 3.08Å; T176-T179 PolarHBondContact OG1-OG1 2.8Å; T179-Q181 VanDerWaalsContact C-N 3.33Å; T179-Q181 PolarHBondContact O-N 3.43Å; T179-M182 PolarHBondContact O-N 2.9Å; T179-L183 HydrophobicContact CG2-CD1 3.6Å; T179-L183 HydrophobicContact CG2-CG 4.27Å; T179-L183 WeakPolarHBondContact O-CB 3.29Å; T179-L183 WeakPolarHBondContact O-CD1 3.32Å; T179-L183 WeakPolarHBondContact O-CG 3.41Å; T179-L183 PolarHBondContact O-N 3.27Å
180R96.6Very high93.5Very high37 Ų3768.8 Ų68.814%0.1435%0.353CS..Hα-helixtrans-64.3-36.4176.1-67.8-165.2-59.4-82.34.2112.9Y148 Q149 V151 T175 T176 L177 E178 A184Y148-R180 VanDerWaalsContact O-CB 3.27Å; Y148-R180 WeakPolarHBondContact O-CB 3.49Å; Y148-R180 WeakPolarHBondContact O-CD 3.42Å; Y148-R180 PolarHBondContact O-NE 3.24Å; Q149-R180 PolarHBondContact O-NE 3.49Å; Q149-R180 PolarHBondContact O-NH2 3.12Å; V151-R180 WeakPolarHBondContact O-CD 3.08Å; T175-R180 PolarHBondContact O-NH1 2.85Å; T175-R180 WeakPolarHBondContact OG1-CG 3.45Å; T175-R180 PolarHBondContact OG1-NH1 3.44Å; T176-R180 WeakPolarHBondContact O-CG 3.46Å; T176-R180 PolarHBondContact O-N 2.7Å; T176-R180 VanDerWaalsContact O-N 3.08Å; T176-R180 PolarHBondContact O-NH1 3.41Å; L177-R180 PolarHBondContact O-N 3.38Å; E178-R180 PolarHBondContact O-N 3.45Å; R180-A184 VanDerWaalsContact O-CB 3.27Å; R180-A184 WeakPolarHBondContact O-CB 3.39Å; R180-A184 PolarHBondContact O-N 3.4Å
181Q97.7Very high94.1Very high88 Ų8863.1 Ų63.141%0.41132%0.316SS..Hα-helixtrans-63.1-49.3173.6-76.9174.3-3700111.3Y148 L177 E178 T179 L183 A184 V185Y148-Q181 HydrophobicContact CD2-CG 3.72Å; Y148-Q181 HydrophobicContact CE2-CG 3.37Å; L177-Q181 HydrophobicContact CD1-CG 4.48Å; L177-Q181 HydrophobicContact CG-CG 4.5Å; L177-Q181 WeakPolarHBondContact O-CG 3.38Å; L177-Q181 PolarHBondContact O-N 3.4Å; E178-Q181 WeakPolarHBondContact O-CB 3.37Å; E178-Q181 PolarHBondContact O-N 2.99Å; T179-Q181 VanDerWaalsContact C-N 3.33Å; T179-Q181 PolarHBondContact O-N 3.43Å; Q181-L183 VanDerWaalsContact C-N 3.34Å; Q181-L183 PolarHBondContact O-N 3.15Å; Q181-A184 PolarHBondContact O-N 3.2Å; Q181-V185 WeakPolarHBondContact O-CG2 3.44Å; Q181-V185 PolarHBondContact O-N 3.07Å
182M98.1Very high94.6Very high80 Ų8059.8 Ų59.839%0.39430%0.304SS..Hα-helixtrans-56.5-48.7177.1-178.9-165.164.400111.2L162 E178 T179 A184 V185 K186L162-M182 HydrophobicContact CD2-CE 3.53Å; E178-M182 PolarHBondContact O-N 3.49Å; T179-M182 PolarHBondContact O-N 2.9Å; M182-A184 VanDerWaalsContact C-N 3.35Å; M182-A184 PolarHBondContact O-N 3.14Å; M182-V185 WeakPolarHBondContact O-CB 3.43Å; M182-V185 PolarHBondContact O-N 3.09Å; M182-K186 PolarHBondContact O-N 2.79Å
183L98.3Very high95.2Very high0 Ų060.6 Ų60.60%031%0.305CS..Hα-helixtrans-66.8-35.9-178.8-67165.2000112.6T152 V153 D159 I163 T179 Q181 V185 K186 A187T152-L183 HydrophobicContact CG2-CD1 3.87Å; V153-L183 HydrophobicContact CG1-CB 4.11Å; V153-L183 WeakPolarHBondContact O-CB 3.43Å; V153-L183 WeakPolarHBondContact O-CD1 3.38Å; D159-L183 HydrophobicContact CB-CD2 3.92Å; D159-L183 WeakPolarHBondContact OD2-CD2 3.43Å; I163-L183 HydrophobicContact CD1-CD1 3.53Å; T179-L183 HydrophobicContact CG2-CD1 3.6Å; T179-L183 HydrophobicContact CG2-CG 4.27Å; T179-L183 WeakPolarHBondContact O-CB 3.29Å; T179-L183 WeakPolarHBondContact O-CD1 3.32Å; T179-L183 WeakPolarHBondContact O-CG 3.41Å; T179-L183 PolarHBondContact O-N 3.27Å; Q181-L183 VanDerWaalsContact C-N 3.34Å; Q181-L183 PolarHBondContact O-N 3.15Å; L183-V185 VanDerWaalsContact C-N 3.34Å; L183-K186 PolarHBondContact O-N 3.46Å; L183-A187 WeakPolarHBondContact O-CB 3.49Å; L183-A187 PolarHBondContact O-N 2.89Å
184A97.6Very high96Very high5 Ų553.6 Ų53.64%0.04127%0.268CS..Hα-helixtrans-63.6-40.2173.500000111.9A145 Y148 V153 R180 Q181 M182 A187 F188A145-A184 HydrophobicContact CB-CB 4.09Å; Y148-A184 HydrophobicContact CD1-CB 4.35Å; Y148-A184 HydrophobicContact CG-CB 4.07Å; V153-A184 HydrophobicContact CG1-CB 4.39Å; R180-A184 VanDerWaalsContact O-CB 3.27Å; R180-A184 WeakPolarHBondContact O-CB 3.39Å; R180-A184 PolarHBondContact O-N 3.4Å; Q181-A184 PolarHBondContact O-N 3.2Å; M182-A184 VanDerWaalsContact C-N 3.35Å; M182-A184 PolarHBondContact O-N 3.14Å; A184-A187 PolarHBondContact O-N 3.46Å; A184-F188 VanDerWaalsContact O-CD2 3.3Å; A184-F188 WeakPolarHBondContact O-CD2 3.28Å; A184-F188 PolarHBondContact O-N 3.04Å
185V97.7Very high96.5Very high79 Ų7956.8 Ų56.848%0.47928%0.282SS..Hα-helixtrans-61.6-49.1172.4172.70000110.5Q181 M182 L183 A187 F188 Q189Q181-V185 WeakPolarHBondContact O-CG2 3.44Å; Q181-V185 PolarHBondContact O-N 3.07Å; M182-V185 WeakPolarHBondContact O-CB 3.43Å; M182-V185 PolarHBondContact O-N 3.09Å; L183-V185 VanDerWaalsContact C-N 3.34Å; V185-A187 VanDerWaalsContact C-N 3.31Å; V185-A187 PolarHBondContact O-N 2.94Å; V185-F188 PolarHBondContact O-N 2.78Å; V185-Q189 HydrophobicContact CG1-CG 4.25Å; V185-Q189 WeakPolarHBondContact O-CB 3.38Å; V185-Q189 WeakPolarHBondContact O-CG 3.43Å; V185-Q189 PolarHBondContact O-N 3.24Å
186K97.8Very high96.5Very high47 Ų4759.1 Ų59.120%0.20430%0.299CS..Hα-helixtrans-56.7-44176.6-72.6-17074.1-174.70111.8D156 S158 D159 M182 L183 Q189 W190D156-K186 IonicContact OD2-NZ 3.24Å; D156-K186 PolarHBondContact OD2-NZ 3Å; S158-K186 PolarHBondContact OG-NZ 2.74Å; D159-K186 IonicContact OD1-NZ 2.74Å; D159-K186 PolarHBondContact OD1-NZ 3.11Å; D159-K186 WeakPolarHBondContact OD2-CE 3.44Å; D159-K186 IonicContact OD2-NZ 2.92Å; D159-K186 PolarHBondContact OD2-NZ 2.83Å; M182-K186 PolarHBondContact O-N 2.79Å; L183-K186 PolarHBondContact O-N 3.46Å; K186-Q189 PolarHBondContact O-N 2.85Å; K186-W190 VanDerWaalsContact O-CB 3.31Å; K186-W190 WeakPolarHBondContact O-CB 3.46Å; K186-W190 PolarHBondContact O-N 2.87Å
187A97.4Very high96.6Very high0 Ų058.7 Ų58.70%030%0.295CS..Hα-helixtrans-64-43.217900000112.7L141 A145 V153 L183 A184 V185 W190 T191L141-A187 HydrophobicContact CB-CB 4.49Å; A145-A187 HydrophobicContact CB-CB 3.86Å; V153-A187 HydrophobicContact CG1-CB 4.03Å; V153-A187 HydrophobicContact CG2-CB 3.89Å; L183-A187 WeakPolarHBondContact O-CB 3.49Å; L183-A187 PolarHBondContact O-N 2.89Å; A184-A187 PolarHBondContact O-N 3.46Å; V185-A187 VanDerWaalsContact C-N 3.31Å; V185-A187 PolarHBondContact O-N 2.94Å; A187-W190 PolarHBondContact O-N 3.02Å; A187-T191 WeakPolarHBondContact O-CB 3.46Å; A187-T191 VanDerWaalsContact O-CG2 3.25Å; A187-T191 WeakPolarHBondContact O-CG2 3.25Å; A187-T191 PolarHBondContact O-N 2.94Å; A187-T191 PolarHBondContact O-OG1 3.17Å
188F98Very high96.6Very high82 Ų8255.5 Ų55.536%0.3628%0.278SS..Hα-helixtrans-69-35.9175-78.9-57.1000112.9R142 A145 K146 A184 V185 T191 S192R142-F188 HydrophobicContact CB-CE1 4.14Å; R142-F188 HydrophobicContact CG-CD1 4.37Å; R142-F188 HydrophobicContact CG-CE1 4.12Å; A145-F188 HydrophobicContact CB-CD2 3.83Å; A145-F188 HydrophobicContact CB-CE1 4.41Å; A145-F188 HydrophobicContact CB-CE2 3.5Å; A145-F188 HydrophobicContact CB-CG 4.41Å; A145-F188 HydrophobicContact CB-CZ 3.82Å; K146-F188 HydrophobicContact CB-CZ 4.32Å; A184-F188 VanDerWaalsContact O-CD2 3.3Å; A184-F188 WeakPolarHBondContact O-CD2 3.28Å; A184-F188 PolarHBondContact O-N 3.04Å; V185-F188 PolarHBondContact O-N 2.78Å; F188-T191 WeakPolarHBondContact CA-OG1 3.2Å; F188-T191 PolarHBondContact O-OG1 3.29Å; F188-S192 VanDerWaalsContact O-CB 3.28Å; F188-S192 WeakPolarHBondContact O-CB 3.4Å; F188-S192 PolarHBondContact O-N 3.14Å
189Q96.3Very high96.5Very high127 Ų12750.4 Ų50.459%0.59326%0.262SS*.Hα-helixtrans-64.9-45173.4-74.9177.1-27.200111.5V185 K186 S192 F193V185-Q189 HydrophobicContact CG1-CG 4.25Å; V185-Q189 WeakPolarHBondContact O-CB 3.38Å; V185-Q189 WeakPolarHBondContact O-CG 3.43Å; V185-Q189 PolarHBondContact O-N 3.24Å; K186-Q189 PolarHBondContact O-N 2.85Å; Q189-S192 PolarHBondContact O-N 3.26Å; Q189-F193 WeakPolarHBondContact O-CB 3.49Å; Q189-F193 PolarHBondContact O-N 2.88Å
190W95.4Very high96.2Very high96 Ų9652.1 Ų52.136%0.36427%0.271SS..Hα-helixtrans-65.8-45.4-179.9-173.3-120.9000112.2F112 K186 A187 S192 F193 Y194F112-W190 AromaticContact CD2-CD1 3.73Å; F112-W190 AromaticContact CD2-NE1 3.27Å; F112-W190 VanDerWaalsContact CD2-NE1 3.27Å; F112-W190 AromaticContact CE2-CD1 3.34Å; F112-W190 HydrophobicContact CE2-CG 4.27Å; F112-W190 AromaticContact CE2-NE1 3.43Å; F112-W190 AromaticContact CZ-CD1 3.96Å; K186-W190 VanDerWaalsContact O-CB 3.31Å; K186-W190 WeakPolarHBondContact O-CB 3.46Å; K186-W190 PolarHBondContact O-N 2.87Å; A187-W190 PolarHBondContact O-N 3.02Å; W190-S192 VanDerWaalsContact C-N 3.34Å; W190-S192 PolarHBondContact O-N 3.24Å; W190-F193 AromaticContact CE3-CD1 3.79Å; W190-F193 HydrophobicContact CE3-CD1 3.79Å; W190-F193 AromaticContact CH2-CD1 3.94Å; W190-F193 HydrophobicContact CH2-CD1 3.94Å; W190-F193 AromaticContact CH2-CE1 3.98Å; W190-F193 HydrophobicContact CH2-CE1 3.98Å; W190-F193 AromaticContact CZ3-CD1 3.34Å; W190-F193 HydrophobicContact CZ3-CD1 3.34Å; W190-F193 AromaticContact CZ3-CE1 3.66Å; W190-F193 HydrophobicContact CZ3-CE1 3.66Å; W190-F193 HydrophobicContact CZ3-CG 4.39Å; W190-F193 PolarHBondContact O-N 3.19Å; W190-Y194 WeakPolarHBondContact O-CB 3.41Å; W190-Y194 PolarHBondContact O-N 3.46Å
191T97.1Very high96.1Very high4 Ų451.5 Ų51.53%0.02527%0.268CS..Hα-helixtrans-61.2-41.5174.251.70000111.8F112 V138 L141 R142 A187 F188 Y194 D195F112-T191 HydrophobicContact CE2-CG2 4.31Å; F112-T191 HydrophobicContact CZ-CG2 3.68Å; V138-T191 HydrophobicContact CG1-CG2 4.28Å; L141-T191 HydrophobicContact CB-CG2 4.09Å; L141-T191 HydrophobicContact CD1-CG2 4.45Å; R142-T191 HydrophobicContact CG-CG2 3.8Å; A187-T191 WeakPolarHBondContact O-CB 3.46Å; A187-T191 VanDerWaalsContact O-CG2 3.25Å; A187-T191 WeakPolarHBondContact O-CG2 3.25Å; A187-T191 PolarHBondContact O-N 2.94Å; A187-T191 PolarHBondContact O-OG1 3.17Å; F188-T191 WeakPolarHBondContact CA-OG1 3.2Å; F188-T191 PolarHBondContact O-OG1 3.29Å; T191-Y194 PolarHBondContact O-N 3.45Å; T191-D195 PolarHBondContact O-N 2.81Å
192S95.9Very high95.9Very high79 Ų7950.2 Ų50.255%0.55226%0.263SS*.Hα-helixtrans-64.2-39.6175.4-1760000112.9F188 Q189 W190 S196F188-S192 VanDerWaalsContact O-CB 3.28Å; F188-S192 WeakPolarHBondContact O-CB 3.4Å; F188-S192 PolarHBondContact O-N 3.14Å; Q189-S192 PolarHBondContact O-N 3.26Å; W190-S192 VanDerWaalsContact C-N 3.34Å; W190-S192 PolarHBondContact O-N 3.24Å; S192-S196 PolarHBondContact O-N 2.89Å; S192-S196 VanDerWaalsContact O-N 3.14Å
193F94.8Very high95.6Very high82 Ų8248.2 Ų48.236%0.3625%0.251SS..Hα-helixtrans-66.6-46175.9173-105.5000110.9Q189 W190 D195 S196 L197Q189-F193 WeakPolarHBondContact O-CB 3.49Å; Q189-F193 PolarHBondContact O-N 2.88Å; W190-F193 AromaticContact CE3-CD1 3.79Å; W190-F193 HydrophobicContact CE3-CD1 3.79Å; W190-F193 AromaticContact CH2-CD1 3.94Å; W190-F193 HydrophobicContact CH2-CD1 3.94Å; W190-F193 AromaticContact CH2-CE1 3.98Å; W190-F193 HydrophobicContact CH2-CE1 3.98Å; W190-F193 AromaticContact CZ3-CD1 3.34Å; W190-F193 HydrophobicContact CZ3-CD1 3.34Å; W190-F193 AromaticContact CZ3-CE1 3.66Å; W190-F193 HydrophobicContact CZ3-CE1 3.66Å; W190-F193 HydrophobicContact CZ3-CG 4.39Å; W190-F193 PolarHBondContact O-N 3.19Å; F193-D195 PolarHBondContact O-N 2.87Å; F193-S196 WeakPolarHBondContact O-CA 3.42Å; F193-S196 WeakPolarHBondContact O-CB 2.96Å; F193-S196 PolarHBondContact O-N 3.21Å; F193-S196 PolarHBondContact O-OG 2.73Å; F193-L197 HydrophobicContact CD1-CD1 4.24Å; F193-L197 HydrophobicContact CE1-CD1 3.67Å; F193-L197 HydrophobicContact CE1-CD2 4.49Å; F193-L197 HydrophobicContact CE1-CG 4.17Å; F193-L197 HydrophobicContact CE2-CD2 4.28Å; F193-L197 HydrophobicContact CE2-CG 4.47Å; F193-L197 HydrophobicContact CZ-CD1 3.97Å; F193-L197 HydrophobicContact CZ-CD2 3.96Å; F193-L197 HydrophobicContact CZ-CG 4.09Å; F193-L197 PolarHBondContact O-N 2.88Å; F193-L197 VanDerWaalsContact O-N 3.09Å
194Y96.6Very high95.3Very high6 Ų651.1 Ų51.12%0.02427%0.266CS..Hα-helixtrans-58.5-46.9178.3-171.2-101.9000112.3F112 F115 N132 D134 V138 W190 T191 S196 L197 I198F112-Y194 HydrophobicContact CB-CD2 4.27Å; F112-Y194 HydrophobicContact CB-CE2 3.78Å; F112-Y194 AromaticContact CD2-CD1 3.95Å; F112-Y194 HydrophobicContact CD2-CD1 3.95Å; F112-Y194 AromaticContact CD2-CD2 3.45Å; F112-Y194 HydrophobicContact CD2-CD2 3.45Å; F112-Y194 VanDerWaalsContact CD2-CD2 3.45Å; F112-Y194 HydrophobicContact CD2-CE1 4.27Å; F112-Y194 AromaticContact CD2-CE2 3.82Å; F112-Y194 HydrophobicContact CD2-CE2 3.82Å; F112-Y194 AromaticContact CD2-CG 3.5Å; F112-Y194 HydrophobicContact CD2-CG 3.5Å; F112-Y194 HydrophobicContact CE2-CD1 4.11Å; F112-Y194 HydrophobicContact CE2-CD2 4.18Å; F112-Y194 AromaticContact CE2-CG 3.77Å; F112-Y194 HydrophobicContact CE2-CG 3.77Å; F112-Y194 HydrophobicContact CG-CD2 4.26Å; F112-Y194 HydrophobicContact CG-CE2 4.17Å; F112-Y194 HydrophobicContact CG-CG 4.47Å; F115-Y194 HydrophobicContact CB-CD2 4.49Å; F115-Y194 HydrophobicContact CB-CE2 3.53Å; F115-Y194 HydrophobicContact CG-CE2 4.49Å; N132-Y194 PolarHBondContact O-OH 3.36Å; D134-Y194 HydrophobicContact CB-CE1 4.35Å; D134-Y194 PolarHBondContact N-OH 2.83Å; V138-Y194 HydrophobicContact CG2-CD1 3.87Å; V138-Y194 HydrophobicContact CG2-CE1 4.11Å; W190-Y194 WeakPolarHBondContact O-CB 3.41Å; W190-Y194 PolarHBondContact O-N 3.46Å; T191-Y194 PolarHBondContact O-N 3.45Å; Y194-S196 PolarHBondContact O-N 2.73Å; Y194-L197 WeakPolarHBondContact O-CB 3.39Å; Y194-L197 PolarHBondContact O-N 2.96Å; Y194-L197 VanDerWaalsContact O-N 3.16Å; Y194-I198 HydrophobicContact CD1-CD1 3.78Å; Y194-I198 HydrophobicContact CE1-CD1 3.63Å; Y194-I198 PolarHBondContact O-N 2.82Å
195D96.6Very high95Very high79 Ų7954 Ų5442%0.42228%0.283SS..Hα-helixtrans-62.6-31.5174.3-75.9-9.3000112T191 F193 I198 A199T191-D195 PolarHBondContact O-N 2.81Å; F193-D195 PolarHBondContact O-N 2.87Å; D195-I198 PolarHBondContact O-N 2.76Å; D195-A199 VanDerWaalsContact O-CB 3.32Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 2.71Å
196S93.6Very high94.8Very high59 Ų5955.3 Ų55.341%0.41328%0.28SS..Hα-helixtrans-67.3-35.4175.983.80000112.9S192 F193 Y194 A199 D200S192-S196 PolarHBondContact O-N 2.89Å; S192-S196 VanDerWaalsContact O-N 3.14Å; F193-S196 WeakPolarHBondContact O-CA 3.42Å; F193-S196 WeakPolarHBondContact O-CB 2.96Å; F193-S196 PolarHBondContact O-N 3.21Å; F193-S196 PolarHBondContact O-OG 2.73Å; Y194-S196 PolarHBondContact O-N 2.73Å; S196-A199 PolarHBondContact O-N 2.94Å; S196-D200 WeakPolarHBondContact O-CB 3.41Å; S196-D200 PolarHBondContact O-N 2.97Å
197L94.4Very high94.5Very high32 Ų3255.7 Ų55.717%0.16828%0.284CS..Hα-helixtrans-65.7-44.1173.7-63.8174.6000111F115 E116 F193 Y194 D200 Y201F115-L197 HydrophobicContact CD1-CB 4.07Å; F115-L197 HydrophobicContact CE1-CB 4.25Å; E116-L197 HydrophobicContact CB-CD1 3.75Å; E116-L197 HydrophobicContact CG-CD1 4.07Å; E116-L197 HydrophobicContact CG-CD2 4.46Å; F193-L197 HydrophobicContact CD1-CD1 4.24Å; F193-L197 HydrophobicContact CE1-CD1 3.67Å; F193-L197 HydrophobicContact CE1-CD2 4.49Å; F193-L197 HydrophobicContact CE1-CG 4.17Å; F193-L197 HydrophobicContact CE2-CD2 4.28Å; F193-L197 HydrophobicContact CE2-CG 4.47Å; F193-L197 HydrophobicContact CZ-CD1 3.97Å; F193-L197 HydrophobicContact CZ-CD2 3.96Å; F193-L197 HydrophobicContact CZ-CG 4.09Å; F193-L197 PolarHBondContact O-N 2.88Å; F193-L197 VanDerWaalsContact O-N 3.09Å; Y194-L197 WeakPolarHBondContact O-CB 3.39Å; Y194-L197 PolarHBondContact O-N 2.96Å; Y194-L197 VanDerWaalsContact O-N 3.16Å; L197-D200 PolarHBondContact O-N 2.82Å; L197-Y201 WeakPolarHBondContact O-CB 3.23Å; L197-Y201 PolarHBondContact O-N 3.39Å
198I95.7Very high94.2Very high18 Ų1857 Ų579%0.09230%0.298CS..Hα-helixtrans-61.2-47.5175.8-62.9166000110F115 I133 Y194 D195 D200 Y201 M202F115-I198 HydrophobicContact CD1-CG1 3.91Å; F115-I198 HydrophobicContact CE1-CB 4.22Å; F115-I198 HydrophobicContact CE1-CG1 3.66Å; F115-I198 HydrophobicContact CE2-CG1 4.34Å; F115-I198 HydrophobicContact CG-CG1 4.37Å; F115-I198 HydrophobicContact CZ-CB 4.37Å; F115-I198 HydrophobicContact CZ-CG1 3.89Å; I133-I198 HydrophobicContact CD1-CG2 3.91Å; I133-I198 HydrophobicContact CG1-CD1 4.24Å; I133-I198 HydrophobicContact CG1-CG1 4.27Å; I133-I198 HydrophobicContact CG2-CD1 3.8Å; Y194-I198 HydrophobicContact CD1-CD1 3.78Å; Y194-I198 HydrophobicContact CE1-CD1 3.63Å; Y194-I198 PolarHBondContact O-N 2.82Å; D195-I198 PolarHBondContact O-N 2.76Å; I198-D200 VanDerWaalsContact C-N 3.34Å; I198-D200 PolarHBondContact O-N 3.46Å; I198-Y201 PolarHBondContact O-N 3.38Å; I198-M202 HydrophobicContact CG2-CE 3.88Å; I198-M202 HydrophobicContact CG2-CG 4.33Å; I198-M202 HydrophobicContact CG2-SD 4.14Å; I198-M202 WeakPolarHBondContact O-CB 3.29Å; I198-M202 WeakPolarHBondContact O-CG 3.47Å; I198-M202 PolarHBondContact O-N 3.3Å
199A93.7Very high93.7Very high46 Ų4660.3 Ų60.338%0.3832%0.315SS..Hα-helixtrans-62.1-40.2179.700000112.3D195 S196 R203D195-A199 VanDerWaalsContact O-CB 3.32Å; D195-A199 WeakPolarHBondContact O-CB 3.46Å; D195-A199 PolarHBondContact O-N 2.71Å; S196-A199 PolarHBondContact O-N 2.94Å; A199-R203 WeakPolarHBondContact O-CB 3.29Å; A199-R203 PolarHBondContact O-N 3.47Å
200D91.7Very high93.4Very high49 Ų4960 Ų6026%0.26231%0.311SS..Hα-helixtrans-65.1-48175.6-171.855.7000111.4S196 L197 I198 M202 R203 I204 R227S196-D200 WeakPolarHBondContact O-CB 3.41Å; S196-D200 PolarHBondContact O-N 2.97Å; L197-D200 PolarHBondContact O-N 2.82Å; I198-D200 VanDerWaalsContact C-N 3.34Å; I198-D200 PolarHBondContact O-N 3.46Å; D200-M202 PolarHBondContact O-N 3.32Å; D200-R203 WeakPolarHBondContact O-CB 3.42Å; D200-R203 PolarHBondContact O-N 2.8Å; D200-I204 VanDerWaalsContact O-CD1 3.28Å; D200-I204 WeakPolarHBondContact O-CD1 3.42Å; D200-I204 VanDerWaalsContact O-CG1 3.23Å; D200-I204 WeakPolarHBondContact O-CG1 3.32Å; D200-I204 PolarHBondContact O-N 2.86Å; D200-R227 IonicContact OD1-NH1 2.83Å; D200-R227 PolarHBondContact OD1-NH1 2.91Å; D200-R227 IonicContact OD2-CZ 2.7Å; D200-R227 IonicContact OD2-NH1 3.94Å; D200-R227 PolarHBondContact OD2-NH1 2.86Å
201Y93.5Very high93.3Very high23 Ų2355.5 Ų55.59%0.0929%0.294CS..Hα-helixtrans-54.5-53.6175174.6-98.7000111.7F115 V119 V124 D126 A129 L197 I198 R203 I204 T205F115-Y201 HydrophobicContact CZ-CD1 4.23Å; F115-Y201 HydrophobicContact CZ-CG 4.17Å; V119-Y201 HydrophobicContact CB-CD2 4Å; V119-Y201 HydrophobicContact CG1-CD2 3.65Å; V119-Y201 HydrophobicContact CG1-CE2 4.09Å; V119-Y201 HydrophobicContact CG1-CG 4.01Å; V124-Y201 HydrophobicContact CG1-CE2 4.29Å; D126-Y201 WeakPolarHBondContact CA-OH 3.35Å; D126-Y201 PolarHBondContact OD1-OH 3.36Å; A129-Y201 HydrophobicContact CB-CD1 4.48Å; A129-Y201 HydrophobicContact CB-CE1 3.74Å; A129-Y201 HydrophobicContact CB-CE2 4.05Å; A129-Y201 VanDerWaalsContact CB-CZ 3.47Å; A129-Y201 WeakPolarHBondContact CB-OH 3.36Å; L197-Y201 WeakPolarHBondContact O-CB 3.23Å; L197-Y201 PolarHBondContact O-N 3.39Å; I198-Y201 PolarHBondContact O-N 3.38Å; Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 3.05Å; Y201-I204 PolarHBondContact O-N 3.39Å; Y201-T205 WeakPolarHBondContact CE2-OG1 3.49Å; Y201-T205 WeakPolarHBondContact O-CB 3.37Å; Y201-T205 PolarHBondContact O-N 3.25Å; Y201-T205 PolarHBondContact O-OG1 3.5Å
202M93.3Very high93.2Very high61 Ų6155.7 Ų55.730%0.330%0.295SS..Hα-helixtrans-63.6-37.3-178.6-70-168173.700112.3L130 I133 I198 D200 I204 Y206L130-M202 HydrophobicContact CD2-CE 3.82Å; I133-M202 HydrophobicContact CD1-CE 3.76Å; I198-M202 HydrophobicContact CG2-CE 3.88Å; I198-M202 HydrophobicContact CG2-CG 4.33Å; I198-M202 HydrophobicContact CG2-SD 4.14Å; I198-M202 WeakPolarHBondContact O-CB 3.29Å; I198-M202 WeakPolarHBondContact O-CG 3.47Å; I198-M202 PolarHBondContact O-N 3.3Å; D200-M202 PolarHBondContact O-N 3.32Å; M202-I204 PolarHBondContact O-N 2.92Å; M202-Y206 HydrophobicContact CB-CD2 3.8Å; M202-Y206 HydrophobicContact CB-CE2 3.89Å; M202-Y206 HydrophobicContact CE-CE2 4.36Å; M202-Y206 HydrophobicContact CG-CD2 4.04Å; M202-Y206 HydrophobicContact CG-CE2 3.58Å; M202-Y206 VanDerWaalsContact O-CB 3.31Å; M202-Y206 WeakPolarHBondContact O-CB 3.24Å; M202-Y206 PolarHBondContact O-N 3.2Å; M202-Y206 HydrophobicContact SD-CE2 4Å
203R92.8Very high93.1Very high39 Ų3952.6 Ų52.615%0.14727%0.273CS..Iπ-helixtrans-59.6-46.9175.6-175.4-170.3-50.6-81.6-3.3111.1A199 D200 Y201 L207 G208 A211A199-R203 WeakPolarHBondContact O-CB 3.29Å; A199-R203 PolarHBondContact O-N 3.47Å; D200-R203 WeakPolarHBondContact O-CB 3.42Å; D200-R203 PolarHBondContact O-N 2.8Å; Y201-R203 VanDerWaalsContact C-N 3.32Å; Y201-R203 PolarHBondContact O-N 3.05Å; R203-L207 HydrophobicContact CG-CD1 4.48Å; R203-L207 WeakPolarHBondContact O-CA 3.42Å; R203-L207 VanDerWaalsContact O-CB 3.28Å; R203-L207 WeakPolarHBondContact O-CB 3.43Å; R203-L207 PolarHBondContact O-N 3.08Å; R203-L207 VanDerWaalsContact O-N 3.13Å; R203-G208 PolarHBondContact O-N 3.33Å; R203-A211 WeakPolarHBondContact CD-O 3.49Å; R203-A211 HydrophobicContact CG-CB 3.74Å
204I90.5Very high93.1Very high61 Ų6152.9 Ų52.931%0.31329%0.285SS..Iπ-helixtrans-66.8-51.7179.5-58152.9000110.1D200 Y201 M202 G208 R227D200-I204 VanDerWaalsContact O-CD1 3.28Å; D200-I204 WeakPolarHBondContact O-CD1 3.42Å; D200-I204 VanDerWaalsContact O-CG1 3.23Å; D200-I204 WeakPolarHBondContact O-CG1 3.32Å; D200-I204 PolarHBondContact O-N 2.86Å; Y201-I204 PolarHBondContact O-N 3.39Å; M202-I204 PolarHBondContact O-N 2.92Å; I204-G208 VanDerWaalsContact O-CA 3.28Å; I204-G208 WeakPolarHBondContact O-CA 3.34Å; I204-G208 PolarHBondContact O-N 3.11Å; I204-G208 VanDerWaalsContact O-N 3.11Å; I204-R227 VanDerWaalsContact CD1-CZ 3.44Å; I204-R227 VanDerWaalsContact CD1-NH1 3.26Å; I204-R227 VanDerWaalsContact CD1-NH2 3.28Å
205T91.8Very high93.1Very high64 Ų6453 Ų5339%0.39329%0.286SS..Iπ-helixtrans-69.6-42.5-170.6-56.80000112.1Y201Y201-T205 WeakPolarHBondContact CE2-OG1 3.49Å; Y201-T205 WeakPolarHBondContact O-CB 3.37Å; Y201-T205 PolarHBondContact O-N 3.25Å; Y201-T205 PolarHBondContact O-OG1 3.5Å
206Y93.3Very high92.9Very high107 Ų10756.6 Ų56.642%0.4229%0.294SS..Iπ-helixtrans-100.1-30.1-171.4-52.8-31.3000113.9D126 L130 M202D126-Y206 WeakPolarHBondContact OD1-CE1 3.41Å; D126-Y206 PolarHBondContact OD1-OH 3.13Å; L130-Y206 WeakPolarHBondContact CD2-OH 3.42Å; M202-Y206 HydrophobicContact CB-CD2 3.8Å; M202-Y206 HydrophobicContact CB-CE2 3.89Å; M202-Y206 HydrophobicContact CE-CE2 4.36Å; M202-Y206 HydrophobicContact CG-CD2 4.04Å; M202-Y206 HydrophobicContact CG-CE2 3.58Å; M202-Y206 VanDerWaalsContact O-CB 3.31Å; M202-Y206 WeakPolarHBondContact O-CB 3.24Å; M202-Y206 PolarHBondContact O-N 3.2Å; M202-Y206 HydrophobicContact SD-CE2 4Å
207L92.5Very high93Very high56 Ų5657.4 Ų57.429%0.29329%0.288SS..Iπ-helixtrans-102.4-22.9-179.5-53.1177.9000112.5R203 K210 A211 V236R203-L207 HydrophobicContact CG-CD1 4.48Å; R203-L207 WeakPolarHBondContact O-CA 3.42Å; R203-L207 VanDerWaalsContact O-CB 3.28Å; R203-L207 WeakPolarHBondContact O-CB 3.43Å; R203-L207 PolarHBondContact O-N 3.08Å; R203-L207 VanDerWaalsContact O-N 3.13Å; L207-K210 WeakPolarHBondContact O-CE 3.42Å; L207-K210 WeakPolarHBondContact O-CG 3.48Å; L207-A211 HydrophobicContact CB-CB 3.44Å; L207-A211 VanDerWaalsContact CB-CB 3.44Å; L207-A211 HydrophobicContact CD1-CB 3.8Å; L207-A211 HydrophobicContact CG-CB 4.28Å; L207-V236 HydrophobicContact CD1-CB 4.29Å
208G91Very high93.2Very high28 Ų2856.2 Ų56.229%0.28928%0.283SS..G310 helixtrans65.4-154.1175.400000113.9R203 I204 K210 A211 S212R203-G208 PolarHBondContact O-N 3.33Å; I204-G208 VanDerWaalsContact O-CA 3.28Å; I204-G208 WeakPolarHBondContact O-CA 3.34Å; I204-G208 PolarHBondContact O-N 3.11Å; I204-G208 VanDerWaalsContact O-N 3.11Å; G208-K210 PolarHBondContact O-N 3.36Å; G208-K210 VanDerWaalsContact O-N 3.15Å; G208-A211 PolarHBondContact O-N 3.41Å; G208-A211 VanDerWaalsContact O-N 3.07Å; G208-S212 PolarHBondContact O-N 3.37Å; G208-S212 VanDerWaalsContact O-N 3.08Å
209Q87.7Confident93.3Very high151 Ų15159.2 Ų59.271%0.70630%0.298SS*.G310 helixtrans-63.1-24.5-170.6-68.3-169.911.200114.7A211 S212Q209-A211 PolarHBondContact O-N 2.92Å; Q209-S212 WeakPolarHBondContact CA-O 3.27Å
210K90.2Very high93.5Very high121 Ų12160.6 Ų60.653%0.52630%0.299SS..G310 helixtrans-64.4-29.1176.157.9169-175.3-177.20112.5L207 G208 Q237 L238L207-K210 WeakPolarHBondContact O-CE 3.42Å; L207-K210 WeakPolarHBondContact O-CG 3.48Å; G208-K210 PolarHBondContact O-N 3.36Å; G208-K210 VanDerWaalsContact O-N 3.15Å; K210-Q237 HydrophobicContact CB-CB 4.46Å; K210-Q237 CarbonylContact O-C 3.48Å; K210-Q237 VanDerWaalsContact O-CA 3.26Å; K210-Q237 WeakPolarHBondContact O-CA 3.28Å; K210-Q237 WeakPolarHBondContact O-CB 3.49Å; K210-L238 PolarHBondContact O-N 3.42Å
211A93.4Very high93.7Very high0 Ų062.5 Ų62.50%031%0.314CS..THydrogen-bonded Turntrans-106-19.4-179.400000113.5R203 L207 G208 Q209 P230 V236R203-A211 WeakPolarHBondContact CD-O 3.49Å; R203-A211 HydrophobicContact CG-CB 3.74Å; L207-A211 HydrophobicContact CB-CB 3.44Å; L207-A211 VanDerWaalsContact CB-CB 3.44Å; L207-A211 HydrophobicContact CD1-CB 3.8Å; L207-A211 HydrophobicContact CG-CB 4.28Å; G208-A211 PolarHBondContact O-N 3.41Å; G208-A211 VanDerWaalsContact O-N 3.07Å; Q209-A211 PolarHBondContact O-N 2.92Å; A211-P230 WeakPolarHBondContact O-CD 3.5Å; A211-V236 WeakPolarHBondContact CB-O 3.41Å
212S93.7Very high93.9Very high8 Ų868.6 Ų68.66%0.05634%0.343CS..  trans-147.6101.4-176.9159.20000109.7G208 Q209 R227G208-S212 PolarHBondContact O-N 3.37Å; G208-S212 VanDerWaalsContact O-N 3.08Å; Q209-S212 WeakPolarHBondContact CA-O 3.27Å; S212-R227 WeakPolarHBondContact OG-CD 3.41Å; S212-R227 PolarHBondContact OG-NE 3.47Å
213L95.1Very high94.1Very high14 Ų1469.6 Ų69.67%0.07335%0.347CS..EExtended strand (participates in β ladder)trans-90.3112.6179.1-178.463.5000110.2L215 R227 A228 L238 F240 V242 P247L213-L215 HydrophobicContact CD2-CD2 4.2Å; L213-L215 HydrophobicContact CG-CD2 4.2Å; L213-R227 CarbonylContact O-C 3.57Å; L213-R227 VanDerWaalsContact O-CA 3.3Å; L213-R227 WeakPolarHBondContact O-CA 3.4Å; L213-R227 WeakPolarHBondContact O-CG 3.22Å; L213-A228 HydrophobicContact CB-CB 4.45Å; L213-A228 PolarHBondContact N-O 3.27Å; L213-A228 PolarHBondContact O-N 2.76Å; L213-L238 HydrophobicContact CB-CD1 3.64Å; L213-F240 HydrophobicContact CD2-CE2 3.98Å; L213-F240 HydrophobicContact CD2-CZ 4.47Å; L213-V242 HydrophobicContact CD1-CG2 4.27Å; L213-V242 HydrophobicContact CD2-CG2 3.97Å; L213-P247 HydrophobicContact CD2-CG 3.72Å
214S94.3Very high94.1Very high88 Ų8874 Ų7462%0.61537%0.373SS*.EExtended strand (participates in β ladder)trans-68134170.6-170.20000110.2
215L96.1Very high94.3Very high9 Ų978.3 Ų78.35%0.04739%0.39CS..  trans-110150.2178.9-56.9174.2000109.4L213 Y217 A226 A228 P247 F249 I252L213-L215 HydrophobicContact CD2-CD2 4.2Å; L213-L215 HydrophobicContact CG-CD2 4.2Å; L215-Y217 PolarHBondContact O-N 3.24Å; L215-A226 HydrophobicContact CB-CB 3.88Å; L215-A226 HydrophobicContact CD1-CB 4.31Å; L215-A226 PolarHBondContact N-O 3.32Å; L215-A228 HydrophobicContact CD1-CB 4.39Å; L215-P247 HydrophobicContact CD2-CG 4.5Å; L215-P247 WeakPolarHBondContact CD2-O 3.27Å; L215-F249 HydrophobicContact CD1-CB 4.28Å; L215-F249 HydrophobicContact CD1-CD2 3.83Å; L215-F249 HydrophobicContact CD1-CG 4.45Å; L215-I252 HydrophobicContact CD2-CG1 4.18Å
216R92.2Very high94.5Very high154 Ų15475.8 Ų75.858%0.58138%0.376SS*.SBendtrans-58.2-36.6-175.7-66.8-174.7-67.8-165.4-4.2113.8
217Y96.9Very high94.6Very high77 Ų7773.3 Ų73.330%0.30237%0.365SS..  trans-169.1170.8177.248.2-100.6000107.6L215 P221 Q223 A226L215-Y217 PolarHBondContact O-N 3.24Å; Y217-P221 HydrophobicContact CD1-CB 4.41Å; Y217-P221 HydrophobicContact CE1-CG 4.3Å; Y217-P221 HydrophobicContact CE2-CG 4.32Å; Y217-Q223 CarbonylContact C-O 3.55Å; Y217-Q223 VanDerWaalsContact CA-O 3.3Å; Y217-Q223 WeakPolarHBondContact CA-O 3.48Å; Y217-Q223 WeakPolarHBondContact CB-O 3.38Å; Y217-A226 WeakPolarHBondContact O-CB 3.49Å
218G97.4Very high94.8Very high6 Ų671.4 Ų71.46%0.06236%0.358CS..SBendtrans-74.4-133.3176.500000112.3N220 Q223 F249G218-N220 VanDerWaalsContact C-N 3.25Å; G218-N220 PolarHBondContact O-N 2.84Å; G218-Q223 PolarHBondContact N-O 3.3Å; G218-F249 WeakPolarHBondContact O-CB 3.39Å
219M97.4Very high94.9Very high82 Ų8275.2 Ų75.240%0.40437%0.367SS..SBendtrans-65.4-32.7-179.7-154.566.665.200112.3F249 I250 L253M219-F249 HydrophobicContact CE-CD1 3.86Å; M219-F249 HydrophobicContact CE-CE1 3.56Å; M219-F249 HydrophobicContact SD-CD1 4.14Å; M219-F249 HydrophobicContact SD-CE1 4.44Å; M219-I250 HydrophobicContact SD-CD1 4.32Å; M219-I250 HydrophobicContact SD-CG1 3.81Å; M219-L253 HydrophobicContact CE-CD1 3.91Å; M219-L253 HydrophobicContact SD-CD1 4.07Å
220N98Very high95.2Very high74 Ų7468.5 Ų68.540%0.39634%0.337SS..SBendtrans-135.2155.2-177.2-59.1-82.3000111.4G218 H222 Q223G218-N220 VanDerWaalsContact C-N 3.25Å; G218-N220 PolarHBondContact O-N 2.84Å; N220-H222 VanDerWaalsContact C-N 3.27Å; N220-H222 WeakPolarHBondContact CB-CE1 3.47Å; N220-H222 PolarHBondContact O-N 3.25Å; N220-H222 VanDerWaalsContact O-N 3.12Å; N220-Q223 VanDerWaalsContact N-OE1 3.11Å; N220-Q223 PolarHBondContact ND2-OE1 2.68Å; N220-Q223 WeakPolarHBondContact O-CB 3.23Å; N220-Q223 PolarHBondContact O-N 2.92Å
221P97.5Very high95.2Very high90 Ų9067.1 Ų67.158%0.58434%0.342SS*.THydrogen-bonded Turntrans-55.6-31.7-176.5-29.836.5000116.4Y217 Q223Y217-P221 HydrophobicContact CD1-CB 4.41Å; Y217-P221 HydrophobicContact CE1-CG 4.3Å; Y217-P221 HydrophobicContact CE2-CG 4.32Å; P221-Q223 PolarHBondContact O-N 3.33Å
222H97.5Very high94.9Very high150 Ų15067.9 Ų67.969%0.69435%0.347SS*.THydrogen-bonded Turntrans-73.1-16.1178.665.7-87.6000113.1N220 N224N220-H222 VanDerWaalsContact C-N 3.27Å; N220-H222 WeakPolarHBondContact CB-CE1 3.47Å; N220-H222 PolarHBondContact O-N 3.25Å; N220-H222 VanDerWaalsContact O-N 3.12Å; H222-N224 VanDerWaalsContact C-N 3.27Å; H222-N224 PolarHBondContact O-N 3.35Å; H222-N224 VanDerWaalsContact O-N 3.16Å
223Q97.3Very high94.5Very high82 Ų8273.3 Ų73.338%0.38338%0.382SS..  trans-87.369.1172.4-57.2174.7-91.800108.3Y217 G218 N220 P221 F225Y217-Q223 CarbonylContact C-O 3.55Å; Y217-Q223 VanDerWaalsContact CA-O 3.3Å; Y217-Q223 WeakPolarHBondContact CA-O 3.48Å; Y217-Q223 WeakPolarHBondContact CB-O 3.38Å; G218-Q223 PolarHBondContact N-O 3.3Å; N220-Q223 VanDerWaalsContact N-OE1 3.11Å; N220-Q223 PolarHBondContact ND2-OE1 2.68Å; N220-Q223 WeakPolarHBondContact O-CB 3.23Å; N220-Q223 PolarHBondContact O-N 2.92Å; P221-Q223 PolarHBondContact O-N 3.33Å; Q223-F225 PolarHBondContact O-N 3.35Å
224N93.3Very high94.1Very high131 Ų13182.1 Ų82.170%0.70142%0.415SS*.  trans-71.4-8.7-165.764-2.3000115.6H222H222-N224 VanDerWaalsContact C-N 3.27Å; H222-N224 PolarHBondContact O-N 3.35Å; H222-N224 VanDerWaalsContact O-N 3.16Å
225F93.5Very high93.9Very high153 Ų15379.4 Ų79.467%0.67140%0.397SS*.  trans-104.1120172178.4-96.8000110.5Q223Q223-F225 PolarHBondContact O-N 3.35Å
226A96.2Very high93.6Very high10 Ų1083.4 Ų83.48%0.08342%0.422CS..  trans-156.7148.4172.100000111.8L215 Y217 F249L215-A226 HydrophobicContact CB-CB 3.88Å; L215-A226 HydrophobicContact CD1-CB 4.31Å; L215-A226 PolarHBondContact N-O 3.32Å; Y217-A226 WeakPolarHBondContact O-CB 3.49Å; A226-F249 HydrophobicContact CB-CD2 4.1Å
227R95Very high93.6Very high55 Ų5581.4 Ų81.421%0.20842%0.419CS..EExtended strand (participates in β ladder)trans-153.4148.9-178-175.6-174-74.8159.75.1110.3D200 I204 S212 L213 F229D200-R227 IonicContact OD1-NH1 2.83Å; D200-R227 PolarHBondContact OD1-NH1 2.91Å; D200-R227 IonicContact OD2-CZ 2.7Å; D200-R227 IonicContact OD2-NH1 3.94Å; D200-R227 PolarHBondContact OD2-NH1 2.86Å; I204-R227 VanDerWaalsContact CD1-CZ 3.44Å; I204-R227 VanDerWaalsContact CD1-NH1 3.26Å; I204-R227 VanDerWaalsContact CD1-NH2 3.28Å; S212-R227 WeakPolarHBondContact OG-CD 3.41Å; S212-R227 PolarHBondContact OG-NE 3.47Å; L213-R227 CarbonylContact O-C 3.57Å; L213-R227 VanDerWaalsContact O-CA 3.3Å; L213-R227 WeakPolarHBondContact O-CA 3.4Å; L213-R227 WeakPolarHBondContact O-CG 3.22Å; R227-F229 HydrophobicContact CG-CD1 4.12Å
228A95.9Very high93.6Very high17 Ų1778.4 Ų78.414%0.1441%0.408CS..EExtended strand (participates in β ladder)trans-111.2131.9165.800000110L213 L215L213-A228 HydrophobicContact CB-CB 4.45Å; L213-A228 PolarHBondContact N-O 3.27Å; L213-A228 PolarHBondContact O-N 2.76Å; L215-A228 HydrophobicContact CD1-CB 4.39Å
229F94.9Very high93.6Very high107 Ų10779.1 Ų79.147%0.46941%0.412SS..  trans-148.3157.3176.856.6-87.5000109.4R227R227-F229 HydrophobicContact CG-CD1 4.12Å
230P92.8Very high93.5Very high11 Ų1176.1 Ų76.17%0.07140%0.396CS..  trans-59.4138.9178.6-24.333.9000112.5A211 S232 A235 Q237 L238A211-P230 WeakPolarHBondContact O-CD 3.5Å; P230-S232 VanDerWaalsContact C-N 3.33Å; P230-A235 HydrophobicContact CB-CB 3.53Å; P230-A235 HydrophobicContact CG-CB 3.94Å; P230-Q237 VanDerWaalsContact CG-O 3.25Å; P230-Q237 WeakPolarHBondContact CG-O 3.43Å; P230-L238 HydrophobicContact CG-CD2 4.31Å
231S89.8Confident93.5Very high91 Ų9174.8 Ų74.864%0.63640%0.396SS*.SBendtrans-69.8-31.3173.5540000112.5
232S88.1Confident93.5Very high16 Ų1673.1 Ų73.111%0.11238%0.384CS..SBendtrans-82.4130.9-178.9-149.40000111.4P230 R234 A235 D385P230-S232 VanDerWaalsContact C-N 3.33Å; S232-R234 PolarHBondContact O-N 2.94Å; S232-R234 PolarHBondContact OG-NE 2.96Å; S232-A235 PolarHBondContact O-N 3.46Å; S232-D385 WeakPolarHBondContact CB-OD2 3.14Å; S232-D385 PolarHBondContact OG-OD2 3.35Å
233P85.4Confident93.5Very high122 Ų12268.4 Ų68.479%0.79236%0.364SS*.THydrogen-bonded Turntrans-67.2-14.3172.429.2-35000112.6A235P233-A235 VanDerWaalsContact C-N 3.33Å
234R87.3Confident93.5Very high200 Ų20066 Ų6676%0.75535%0.354SS*.THydrogen-bonded Turntrans-76.7-18.2176.9-61.5-179.7-70.3-177.4-0.7113.2S232 D385S232-R234 PolarHBondContact O-N 2.94Å; S232-R234 PolarHBondContact OG-NE 2.96Å; R234-D385 IonicContact NH2-OD1 3.78Å; R234-D385 PolarHBondContact NH2-OD1 3.02Å
235A89.1Confident93.7Very high30 Ų3061.3 Ų61.325%0.24834%0.336CS..  trans-91125.5-175.100000111.7P230 S232 P233P230-A235 HydrophobicContact CB-CB 3.53Å; P230-A235 HydrophobicContact CG-CB 3.94Å; S232-A235 PolarHBondContact O-N 3.46Å; P233-A235 VanDerWaalsContact C-N 3.33Å
236V89.6Confident93.8Very high94 Ų9456.7 Ų56.757%0.5733%0.326SS*.SBendtrans-96.90.1177.9-61.90000113.4L207 A211L207-V236 HydrophobicContact CD1-CB 4.29Å; A211-V236 WeakPolarHBondContact CB-O 3.41Å
237Q93.5Very high93.8Very high111 Ų11156.5 Ų56.552%0.51932%0.324SS..SBendtrans-153.9158.1175.965.2-173.817.500110.9K210 P230K210-Q237 HydrophobicContact CB-CB 4.46Å; K210-Q237 CarbonylContact O-C 3.48Å; K210-Q237 VanDerWaalsContact O-CA 3.26Å; K210-Q237 WeakPolarHBondContact O-CA 3.28Å; K210-Q237 WeakPolarHBondContact O-CB 3.49Å; P230-Q237 VanDerWaalsContact CG-O 3.25Å; P230-Q237 WeakPolarHBondContact CG-O 3.43Å
238L96.3Very high93.9Very high15 Ų1554 Ų548%0.07932%0.316CS..  trans-64.9150168-74165.7000110.1K210 L213 P230 F240K210-L238 PolarHBondContact O-N 3.42Å; L213-L238 HydrophobicContact CB-CD1 3.64Å; P230-L238 HydrophobicContact CG-CD2 4.31Å; L238-F240 HydrophobicContact CB-CE1 4.44Å; L238-F240 HydrophobicContact CD1-CE2 4.33Å; L238-F240 HydrophobicContact CD1-CZ 4.09Å; L238-F240 HydrophobicContact CD2-CE1 4.17Å; L238-F240 HydrophobicContact CD2-CZ 4.31Å; L238-F240 PolarHBondContact O-N 2.79Å; L238-F240 VanDerWaalsContact O-N 3.08Å
239P96Very high94Very high21 Ų2156.4 Ų56.414%0.13632%0.323CS..SBendtrans-75.49176.533.8-36.5000112.8I378 D379 Y382P239-I378 WeakPolarHBondContact O-CA 3.07Å; P239-I378 WeakPolarHBondContact O-CG1 3.38Å; P239-D379 PolarHBondContact O-N 3.16Å; P239-Y382 HydrophobicContact CB-CD1 3.55Å; P239-Y382 HydrophobicContact CB-CD2 3.53Å; P239-Y382 HydrophobicContact CB-CE1 3.97Å; P239-Y382 HydrophobicContact CB-CE2 3.94Å; P239-Y382 HydrophobicContact CB-CG 3.3Å; P239-Y382 HydrophobicContact CG-CD1 3.85Å; P239-Y382 HydrophobicContact CG-CD2 4.23Å; P239-Y382 HydrophobicContact CG-CE1 3.78Å; P239-Y382 HydrophobicContact CG-CE2 4.15Å; P239-Y382 HydrophobicContact CG-CG 4.07Å
240F97.1Very high94.2Very high18 Ų1853.9 Ų53.98%0.07931%0.314CS..EExtended strand (participates in β ladder)trans-143.8154.4176.163.4-93.7000111.2L213 L238 I252 L256 L376 H377 I378L213-F240 HydrophobicContact CD2-CE2 3.98Å; L213-F240 HydrophobicContact CD2-CZ 4.47Å; L238-F240 HydrophobicContact CB-CE1 4.44Å; L238-F240 HydrophobicContact CD1-CE2 4.33Å; L238-F240 HydrophobicContact CD1-CZ 4.09Å; L238-F240 HydrophobicContact CD2-CE1 4.17Å; L238-F240 HydrophobicContact CD2-CZ 4.31Å; L238-F240 PolarHBondContact O-N 2.79Å; L238-F240 VanDerWaalsContact O-N 3.08Å; F240-I252 HydrophobicContact CE2-CD1 3.89Å; F240-I252 HydrophobicContact CZ-CD1 3.78Å; F240-L256 HydrophobicContact CD1-CD2 4.2Å; F240-L256 HydrophobicContact CE1-CD2 4.22Å; F240-L376 HydrophobicContact CD2-CD2 4.39Å; F240-H377 CarbonylContact C-O 3.55Å; F240-H377 WeakPolarHBondContact CA-O 3.36Å; F240-H377 WeakPolarHBondContact CB-O 3.16Å; F240-I378 HydrophobicContact CB-CB 4.23Å; F240-I378 HydrophobicContact CB-CG1 4.44Å
241A96.7Very high94.4Very high47 Ų4754.4 Ų54.439%0.38832%0.316SS..EExtended strand (participates in β ladder)trans-118145.4175.400000111.2L376 H377A241-L376 WeakPolarHBondContact O-CA 3.49Å; A241-H377 PolarHBondContact N-O 3.41Å; A241-H377 PolarHBondContact O-N 3.5Å
242V97.5Very high94.8Very high54 Ų5450.7 Ų50.733%0.32729%0.289SS..EExtended strand (participates in β ladder)trans-86.9110.1173.4-176.20000108.8L213 G245 P247 L376L213-V242 HydrophobicContact CD1-CG2 4.27Å; L213-V242 HydrophobicContact CD2-CG2 3.97Å; V242-G245 WeakPolarHBondContact CG1-O 3.17Å; V242-P247 HydrophobicContact CG2-CG 4.14Å; V242-L376 HydrophobicContact CB-CD2 4.39Å; V242-L376 HydrophobicContact CG2-CD2 3.87Å
243L97.9Very high95.3Very high51 Ų5152.2 Ų52.227%0.26730%0.296SS..EExtended strand (participates in β ladder)trans-88.1-22.3179.1-61.2-170.4000113.5Y357 L362 R366 I375 H377L243-Y357 HydrophobicContact CD1-CD2 3.58Å; L243-Y357 HydrophobicContact CD1-CE2 3.92Å; L243-L362 HydrophobicContact CB-CD1 4.26Å; L243-L362 HydrophobicContact CD1-CD1 4.13Å; L243-L362 HydrophobicContact CD1-CD2 4.49Å; L243-R366 PolarHBondContact O-NH2 3.1Å; L243-R366 VanDerWaalsContact O-NH2 3.12Å; L243-I375 HydrophobicContact CB-CB 4.27Å; L243-I375 HydrophobicContact CB-CG2 4.08Å; L243-I375 HydrophobicContact CD1-CG2 4.31Å; L243-I375 PolarHBondContact N-O 3.22Å; L243-H377 HydrophobicContact CD1-CB 3.78Å; L243-H377 HydrophobicContact CD2-CB 4.09Å; L243-H377 HydrophobicContact CG-CB 3.8Å
244N98.2Very high96Very high33 Ų3346.8 Ų46.818%0.17626%0.26CS..EExtended strand (participates in β ladder)trans-162.9154.8176.4-163.471000111.4R366 G371 F373 C374 I375N244-R366 HydrophobicContact CB-CG 3.97Å; N244-G371 PolarHBondContact ND2-O 2.84Å; N244-F373 CarbonylContact C-O 3.57Å; N244-F373 PolarHBondContact ND2-O 3.11Å; N244-C374 WeakPolarHBondContact O-CA 3.45Å; N244-I375 HydrophobicContact CB-CB 4.02Å; N244-I375 HydrophobicContact CB-CD1 3.73Å; N244-I375 HydrophobicContact CB-CG1 3.9Å; N244-I375 PolarHBondContact O-N 3.13Å
245G97Very high96.5Very high31 Ų3137.3 Ų37.332%0.3222%0.224SC..SBendtrans69.5-163.9178.900000113.1V242V242-G245 WeakPolarHBondContact CG1-O 3.17Å
246A95.5Very high97Very high57 Ų5738.8 Ų38.847%0.47123%0.228SC..  trans-141.8114.7176.400000109.6
247P96.8Very high97.4Very high5 Ų535.3 Ų35.33%0.03221%0.206CC..  trans-68.6143.118028.3-34000111.4L213 L215 V242 N251 I252 L376L213-P247 HydrophobicContact CD2-CG 3.72Å; L215-P247 HydrophobicContact CD2-CG 4.5Å; L215-P247 WeakPolarHBondContact CD2-O 3.27Å; V242-P247 HydrophobicContact CG2-CG 4.14Å; P247-N251 HydrophobicContact CB-CB 4.15Å; P247-I252 HydrophobicContact CB-CD1 3.66Å; P247-I252 HydrophobicContact CB-CG1 4.14Å; P247-I252 HydrophobicContact CG-CD1 3.81Å; P247-I252 HydrophobicContact CG-CG1 4.48Å; P247-L376 HydrophobicContact CG-CD2 4.31Å
248G97Very high97.6Very high4 Ų430 Ų304%0.04118%0.181CC..  trans-88174.5163.100000112.3I250 N251 I252G248-I250 PolarHBondContact O-N 3.28Å; G248-N251 PolarHBondContact N-OD1 3.47Å; G248-N251 WeakPolarHBondContact O-CB 3.41Å; G248-N251 PolarHBondContact O-N 3.28Å; G248-N251 VanDerWaalsContact O-N 3.13Å; G248-I252 PolarHBondContact O-N 2.83Å; G248-I252 VanDerWaalsContact O-N 3.12Å
249F98.2Very high97.8Very high66 Ų6630.2 Ų30.229%0.28918%0.181SC..Hα-helixtrans-56.1-49.9178.2-163.8-84.2000112.7L215 G218 M219 A226 N251 I252 L253L215-F249 HydrophobicContact CD1-CB 4.28Å; L215-F249 HydrophobicContact CD1-CD2 3.83Å; L215-F249 HydrophobicContact CD1-CG 4.45Å; G218-F249 WeakPolarHBondContact O-CB 3.39Å; M219-F249 HydrophobicContact CE-CD1 3.86Å; M219-F249 HydrophobicContact CE-CE1 3.56Å; M219-F249 HydrophobicContact SD-CD1 4.14Å; M219-F249 HydrophobicContact SD-CE1 4.44Å; A226-F249 HydrophobicContact CB-CD2 4.1Å; F249-N251 VanDerWaalsContact C-N 3.27Å; F249-N251 PolarHBondContact O-N 2.91Å; F249-I252 PolarHBondContact O-N 2.84Å; F249-I252 VanDerWaalsContact O-N 3.13Å; F249-L253 HydrophobicContact CD1-CD1 3.86Å; F249-L253 HydrophobicContact CD1-CG 4.13Å; F249-L253 HydrophobicContact CE1-CD1 3.83Å; F249-L253 HydrophobicContact CE1-CD2 4.23Å; F249-L253 HydrophobicContact CE1-CG 4.1Å; F249-L253 PolarHBondContact O-N 2.78Å; F249-L253 VanDerWaalsContact O-N 3.1Å
250I98.1Very high97.9Very high54 Ų5431.7 Ų31.728%0.27719%0.186SC..Hα-helixtrans-61.8-36.6177.9-63.5174.5000111.1M219 G248 I252 L253 D254M219-I250 HydrophobicContact SD-CD1 4.32Å; M219-I250 HydrophobicContact SD-CG1 3.81Å; G248-I250 PolarHBondContact O-N 3.28Å; I250-I252 VanDerWaalsContact C-N 3.31Å; I250-I252 PolarHBondContact O-N 2.88Å; I250-L253 WeakPolarHBondContact O-CB 3.46Å; I250-L253 PolarHBondContact O-N 3.07Å; I250-D254 PolarHBondContact O-N 2.81Å
251N98.1Very high98Very high22 Ų2230.9 Ų30.912%0.11818%0.182CC..Hα-helixtrans-62.8-38.6176.7-60.1136.4000111.9P247 G248 F249 A255 F329P247-N251 HydrophobicContact CB-CB 4.15Å; G248-N251 PolarHBondContact N-OD1 3.47Å; G248-N251 WeakPolarHBondContact O-CB 3.41Å; G248-N251 PolarHBondContact O-N 3.28Å; G248-N251 VanDerWaalsContact O-N 3.13Å; F249-N251 VanDerWaalsContact C-N 3.27Å; F249-N251 PolarHBondContact O-N 2.91Å; N251-A255 WeakPolarHBondContact O-CB 3.44Å; N251-A255 PolarHBondContact O-N 3.14Å; N251-F329 HydrophobicContact CB-CD2 3.97Å; N251-F329 HydrophobicContact CB-CE2 3.78Å
252I98.1Very high98.1Very high13 Ų1328.6 Ų28.67%0.06716%0.164CC..Hα-helixtrans-66.7-41175.2-62-56.9000110.9L215 F240 P247 G248 F249 I250 A255 L256 L376L215-I252 HydrophobicContact CD2-CG1 4.18Å; F240-I252 HydrophobicContact CE2-CD1 3.89Å; F240-I252 HydrophobicContact CZ-CD1 3.78Å; P247-I252 HydrophobicContact CB-CD1 3.66Å; P247-I252 HydrophobicContact CB-CG1 4.14Å; P247-I252 HydrophobicContact CG-CD1 3.81Å; P247-I252 HydrophobicContact CG-CG1 4.48Å; G248-I252 PolarHBondContact O-N 2.83Å; G248-I252 VanDerWaalsContact O-N 3.12Å; F249-I252 PolarHBondContact O-N 2.84Å; F249-I252 VanDerWaalsContact O-N 3.13Å; I250-I252 VanDerWaalsContact C-N 3.31Å; I250-I252 PolarHBondContact O-N 2.88Å; I252-A255 PolarHBondContact O-N 3.13Å; I252-L256 HydrophobicContact CG2-CD1 3.64Å; I252-L256 HydrophobicContact CG2-CG 4.08Å; I252-L256 WeakPolarHBondContact O-CB 3.32Å; I252-L256 VanDerWaalsContact O-CG 3.29Å; I252-L256 WeakPolarHBondContact O-CG 3.36Å; I252-L256 PolarHBondContact O-N 3.12Å; I252-L376 HydrophobicContact CD1-CD1 4.28Å
253L98.4Very high98.1Very high49 Ų4926.8 Ų26.826%0.25715%0.154SC..Hα-helixtrans-60.4-47.1175.4-64.5176.6000112M219 F249 I250 N257 V280M219-L253 HydrophobicContact CE-CD1 3.91Å; M219-L253 HydrophobicContact SD-CD1 4.07Å; F249-L253 HydrophobicContact CD1-CD1 3.86Å; F249-L253 HydrophobicContact CD1-CG 4.13Å; F249-L253 HydrophobicContact CE1-CD1 3.83Å; F249-L253 HydrophobicContact CE1-CD2 4.23Å; F249-L253 HydrophobicContact CE1-CG 4.1Å; F249-L253 PolarHBondContact O-N 2.78Å; F249-L253 VanDerWaalsContact O-N 3.1Å; I250-L253 WeakPolarHBondContact O-CB 3.46Å; I250-L253 PolarHBondContact O-N 3.07Å; L253-N257 PolarHBondContact O-N 2.81Å; L253-N257 PolarHBondContact O-ND2 3.01Å; L253-V280 HydrophobicContact CB-CG1 4.36Å; L253-V280 HydrophobicContact CB-CG2 3.73Å; L253-V280 HydrophobicContact CD1-CG2 4.03Å
254D98.8Very high98.1Very high8 Ų825.6 Ų25.64%0.04315%0.147CC..Hα-helixtrans-62.8-48.6176.7-74.4-39000110.8I250 L256 S258 F277 H279 V280 F329I250-D254 PolarHBondContact O-N 2.81Å; D254-L256 PolarHBondContact O-N 2.99Å; D254-S258 WeakPolarHBondContact O-CB 3.29Å; D254-S258 PolarHBondContact O-N 2.85Å; D254-S258 PolarHBondContact O-OG 3.45Å; D254-F277 HydrophobicContact CB-CB 4.18Å; D254-H279 PolarHBondContact OD1-N 3.03Å; D254-V280 VanDerWaalsContact OD1-CA 3.3Å; D254-V280 WeakPolarHBondContact OD1-CA 3.36Å; D254-V280 PolarHBondContact OD1-N 2.82Å; D254-F329 HydrophobicContact CB-CB 3.62Å; D254-F329 HydrophobicContact CB-CG 4.11Å
255A98.8Very high98.2Very high1 Ų124 Ų241%0.00814%0.138CC..Hα-helixtrans-60.5-45.9-177.800000112.8N251 I252 S258 W259 F329 I353 L376N251-A255 WeakPolarHBondContact O-CB 3.44Å; N251-A255 PolarHBondContact O-N 3.14Å; I252-A255 PolarHBondContact O-N 3.13Å; A255-S258 WeakPolarHBondContact CA-OG 3.42Å; A255-S258 PolarHBondContact O-OG 2.86Å; A255-S258 VanDerWaalsContact O-OG 3.07Å; A255-W259 WeakPolarHBondContact O-CB 3.49Å; A255-W259 PolarHBondContact O-N 3.36Å; A255-F329 HydrophobicContact CB-CD1 3.87Å; A255-F329 HydrophobicContact CB-CE1 3.41Å; A255-F329 VanDerWaalsContact CB-CE1 3.41Å; A255-F329 HydrophobicContact CB-CE2 4.48Å; A255-F329 HydrophobicContact CB-CZ 3.77Å; A255-I353 HydrophobicContact CB-CB 4.37Å; A255-I353 HydrophobicContact CB-CD1 3.97Å; A255-I353 HydrophobicContact CB-CG2 4.23Å; A255-L376 HydrophobicContact CB-CD1 3.81Å
256L98.4Very high98.2Very high60 Ų6026 Ų2631%0.31414%0.136SC..Hα-helixtrans-72.9-36.9-176.3-65.9178.6000112.5F240 I252 D254 Q260F240-L256 HydrophobicContact CD1-CD2 4.2Å; F240-L256 HydrophobicContact CE1-CD2 4.22Å; I252-L256 HydrophobicContact CG2-CD1 3.64Å; I252-L256 HydrophobicContact CG2-CG 4.08Å; I252-L256 WeakPolarHBondContact O-CB 3.32Å; I252-L256 VanDerWaalsContact O-CG 3.29Å; I252-L256 WeakPolarHBondContact O-CG 3.36Å; I252-L256 PolarHBondContact O-N 3.12Å; D254-L256 PolarHBondContact O-N 2.99Å; L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.48Å; L256-Q260 PolarHBondContact O-N 3.49Å; L256-Q260 PolarHBondContact O-NE2 2.78Å
257N98.8Very high98.3Very high21 Ų2130.4 Ų30.411%0.11214%0.144CC..Hα-helixtrans-71.9-44.1175.3-76.1-72.2000111.6L253 W259 Q260 L261 F277 V280 H600L253-N257 PolarHBondContact O-N 2.81Å; L253-N257 PolarHBondContact O-ND2 3.01Å; N257-W259 PolarHBondContact O-N 2.95Å; N257-Q260 PolarHBondContact O-N 2.97Å; N257-L261 PolarHBondContact O-N 2.9Å; N257-L261 VanDerWaalsContact O-N 3.11Å; N257-F277 HydrophobicContact CB-CD1 4.37Å; N257-F277 HydrophobicContact CB-CE1 3.67Å; N257-F277 HydrophobicContact CB-CZ 4.39Å; N257-V280 WeakPolarHBondContact ND2-CG1 3.35Å; N257-H600 PolarHBondContact OD1-CE1 3.07Å
258S98.8Very high98.4Very high0 Ų031.8 Ų31.80%015%0.151CC..Hα-helixtrans-64.8-37.5177.960.30000113D254 A255 L261 V262 A331D254-S258 WeakPolarHBondContact O-CB 3.29Å; D254-S258 PolarHBondContact O-N 2.85Å; D254-S258 PolarHBondContact O-OG 3.45Å; A255-S258 WeakPolarHBondContact CA-OG 3.42Å; A255-S258 PolarHBondContact O-OG 2.86Å; A255-S258 VanDerWaalsContact O-OG 3.07Å; S258-L261 WeakPolarHBondContact O-CB 3.49Å; S258-L261 PolarHBondContact O-N 2.86Å; S258-V262 PolarHBondContact O-N 3.41Å; S258-V262 VanDerWaalsContact O-N 3.08Å; S258-A331 VanDerWaalsContact C-CB 3.47Å; S258-A331 VanDerWaalsContact CB-CB 3.5Å; S258-A331 WeakPolarHBondContact O-CB 3.39Å; S258-A331 WeakPolarHBondContact OG-CB 3.22Å
259W98.9Very high98.4Very high19 Ų1933 Ų337%0.07216%0.155CC..Hα-helixtrans-59-48.3173.2169.2-112.7000112.2A255 N257 L261 V262 S263 L332 I353 P355 I378 A380A255-W259 WeakPolarHBondContact O-CB 3.49Å; A255-W259 PolarHBondContact O-N 3.36Å; N257-W259 PolarHBondContact O-N 2.95Å; W259-L261 VanDerWaalsContact C-N 3.3Å; W259-L261 PolarHBondContact O-N 2.95Å; W259-V262 HydrophobicContact CE3-CG2 3.96Å; W259-V262 HydrophobicContact CZ3-CG2 4.35Å; W259-V262 WeakPolarHBondContact O-CG2 3.36Å; W259-V262 PolarHBondContact O-N 2.96Å; W259-S263 VanDerWaalsContact O-CB 3.23Å; W259-S263 WeakPolarHBondContact O-CB 3.43Å; W259-S263 PolarHBondContact O-N 2.93Å; W259-L332 WeakPolarHBondContact CZ3-O 3.41Å; W259-I353 HydrophobicContact CB-CD1 4.31Å; W259-I353 HydrophobicContact CB-CG2 4.41Å; W259-P355 HydrophobicContact CH2-CB 4.16Å; W259-P355 HydrophobicContact CH2-CG 4.4Å; W259-P355 HydrophobicContact CZ3-CG 4.46Å; W259-I378 HydrophobicContact CB-CD1 4.24Å; W259-I378 HydrophobicContact CD2-CD1 3.95Å; W259-I378 HydrophobicContact CD2-CG1 4.3Å; W259-I378 HydrophobicContact CD2-CG2 3.61Å; W259-I378 HydrophobicContact CE3-CG2 3.59Å; W259-I378 HydrophobicContact CG-CD1 3.53Å; W259-I378 HydrophobicContact CG-CG1 4.39Å; W259-I378 HydrophobicContact CG-CG2 4.32Å; W259-I378 HydrophobicContact CH2-CG2 3.87Å; W259-I378 HydrophobicContact CZ2-CG2 3.9Å; W259-I378 HydrophobicContact CZ3-CG2 3.73Å; W259-A380 HydrophobicContact CH2-CB 4.3Å; W259-A380 HydrophobicContact CZ2-CB 4.33Å
260Q98.7Very high98.4Very high52 Ų5235.8 Ų35.824%0.24317%0.173CC..Hα-helixtrans-60.9-42.3179.3-70.7170.281.400111.2L256 N257 S263 E264 Y439L256-Q260 VanDerWaalsContact O-CG 3.31Å; L256-Q260 WeakPolarHBondContact O-CG 3.48Å; L256-Q260 PolarHBondContact O-N 3.49Å; L256-Q260 PolarHBondContact O-NE2 2.78Å; N257-Q260 PolarHBondContact O-N 2.97Å; Q260-S263 PolarHBondContact O-N 3.46Å; Q260-E264 WeakPolarHBondContact O-CG 3.21Å; Q260-E264 PolarHBondContact O-N 2.96Å; Q260-Y439 HydrophobicContact CB-CD1 4.3Å; Q260-Y439 HydrophobicContact CB-CE1 3.5Å; Q260-Y439 HydrophobicContact CB-CE2 4.29Å; Q260-Y439 WeakPolarHBondContact CB-OH 3.43Å; Q260-Y439 HydrophobicContact CG-CE1 4.34Å
261L98.8Very high98.4Very high1 Ų135.5 Ų35.51%0.00517%0.174CC..Hα-helixtrans-55.4-55.9175.3-168.2168.3000111.1N257 S258 W259 S263 E264 L265 A275 F277 P282 A285 I435 Y439N257-L261 PolarHBondContact O-N 2.9Å; N257-L261 VanDerWaalsContact O-N 3.11Å; S258-L261 WeakPolarHBondContact O-CB 3.49Å; S258-L261 PolarHBondContact O-N 2.86Å; W259-L261 VanDerWaalsContact C-N 3.3Å; W259-L261 PolarHBondContact O-N 2.95Å; L261-S263 VanDerWaalsContact C-N 3.34Å; L261-S263 PolarHBondContact O-N 3Å; L261-E264 PolarHBondContact O-N 3.25Å; L261-L265 HydrophobicContact CD2-CD1 3.36Å; L261-L265 HydrophobicContact CD2-CG 3.87Å; L261-L265 WeakPolarHBondContact O-CG 3.25Å; L261-L265 PolarHBondContact O-N 3.24Å; L261-A275 HydrophobicContact CD2-CB 4.3Å; L261-F277 HydrophobicContact CB-CZ 4.5Å; L261-F277 HydrophobicContact CD1-CE2 3.69Å; L261-F277 HydrophobicContact CD1-CZ 3.87Å; L261-P282 HydrophobicContact CD1-CB 4.15Å; L261-P282 HydrophobicContact CD1-CG 4.27Å; L261-A285 HydrophobicContact CD1-CB 4.1Å; L261-A285 HydrophobicContact CD2-CB 3.68Å; L261-I435 HydrophobicContact CD2-CG2 4.36Å; L261-I435 HydrophobicContact CG-CG2 4.1Å; L261-Y439 HydrophobicContact CB-CD2 3.7Å; L261-Y439 HydrophobicContact CB-CE2 4.3Å; L261-Y439 HydrophobicContact CB-CG 4.16Å; L261-Y439 HydrophobicContact CG-CD2 4.03Å
262V98.9Very high98.5Very high0 Ų035.5 Ų35.50%018%0.175CC..Hα-helixtrans-70.2-31.3-176.3-58.40000112.7S258 W259 R266 A273 A274 A275 A331S258-V262 PolarHBondContact O-N 3.41Å; S258-V262 VanDerWaalsContact O-N 3.08Å; W259-V262 HydrophobicContact CE3-CG2 3.96Å; W259-V262 HydrophobicContact CZ3-CG2 4.35Å; W259-V262 WeakPolarHBondContact O-CG2 3.36Å; W259-V262 PolarHBondContact O-N 2.96Å; V262-R266 WeakPolarHBondContact O-CB 3.4Å; V262-R266 PolarHBondContact O-N 2.95Å; V262-A273 HydrophobicContact CB-CB 4.26Å; V262-A274 VanDerWaalsContact CG1-C 3.47Å; V262-A275 HydrophobicContact CG1-CB 3.63Å; V262-A331 HydrophobicContact CG1-CB 3.99Å; V262-A331 HydrophobicContact CG2-CB 3.86Å
263S98.6Very high98.5Very high16 Ų1634.9 Ų34.911%0.11217%0.172CC..Hα-helixtrans-63.9-45.1174.4-173.30000111W259 Q260 L261 R266 K267W259-S263 VanDerWaalsContact O-CB 3.23Å; W259-S263 WeakPolarHBondContact O-CB 3.43Å; W259-S263 PolarHBondContact O-N 2.93Å; Q260-S263 PolarHBondContact O-N 3.46Å; L261-S263 VanDerWaalsContact C-N 3.34Å; L261-S263 PolarHBondContact O-N 3Å; S263-R266 PolarHBondContact O-N 3.45Å; S263-K267 WeakPolarHBondContact O-CB 3.46Å; S263-K267 VanDerWaalsContact O-CG 3.28Å; S263-K267 WeakPolarHBondContact O-CG 3.38Å; S263-K267 PolarHBondContact O-N 3.28Å
264E98.3Very high98.5Very high26 Ų2632.5 Ų32.512%0.12116%0.16CC..Hα-helixtrans-66.1-46.4176.1-72-169-174.600111.7Q260 L261 R266 K267 I268 I435 K438 Y439Q260-E264 WeakPolarHBondContact O-CG 3.21Å; Q260-E264 PolarHBondContact O-N 2.96Å; L261-E264 PolarHBondContact O-N 3.25Å; E264-R266 VanDerWaalsContact C-N 3.3Å; E264-R266 PolarHBondContact O-N 3.49Å; E264-K267 PolarHBondContact O-N 3.03Å; E264-I268 HydrophobicContact CB-CD1 4.43Å; E264-I268 WeakPolarHBondContact O-CB 3.2Å; E264-I268 WeakPolarHBondContact O-CD1 3.09Å; E264-I268 VanDerWaalsContact O-CG1 3.23Å; E264-I268 WeakPolarHBondContact O-CG1 3.38Å; E264-I268 PolarHBondContact O-N 3.02Å; E264-I435 HydrophobicContact CB-CD1 4.42Å; E264-I435 HydrophobicContact CB-CG2 4.26Å; E264-I435 WeakPolarHBondContact OE2-CD1 3.4Å; E264-K438 IonicContact OE1-NZ 2.89Å; E264-K438 PolarHBondContact OE1-NZ 3.4Å; E264-K438 IonicContact OE2-NZ 2.71Å; E264-K438 PolarHBondContact OE2-NZ 3.22Å; E264-Y439 VanDerWaalsContact CD-OH 3.27Å; E264-Y439 PolarHBondContact OE1-OH 3Å
265L98.7Very high98.5Very high0 Ų032.1 Ų32.10%016%0.158CC..Hα-helixtrans-56.2-45175.4-71.5-177.9000111.8L261 I268 F269 A273 A285 I287 L432 I435L261-L265 HydrophobicContact CD2-CD1 3.36Å; L261-L265 HydrophobicContact CD2-CG 3.87Å; L261-L265 WeakPolarHBondContact O-CG 3.25Å; L261-L265 PolarHBondContact O-N 3.24Å; L265-I268 PolarHBondContact O-N 2.94Å; L265-F269 HydrophobicContact CB-CD2 4.43Å; L265-F269 HydrophobicContact CD2-CD2 4.08Å; L265-F269 HydrophobicContact CD2-CE2 3.66Å; L265-F269 WeakPolarHBondContact O-CB 3.42Å; L265-F269 VanDerWaalsContact O-CD2 3.28Å; L265-F269 WeakPolarHBondContact O-CD2 3.08Å; L265-F269 PolarHBondContact O-N 3.48Å; L265-A273 HydrophobicContact CB-CB 3.64Å; L265-A273 HydrophobicContact CD1-CB 4.14Å; L265-A285 HydrophobicContact CD1-CB 4.4Å; L265-I287 HydrophobicContact CB-CG2 4Å; L265-I287 HydrophobicContact CD1-CG2 4.13Å; L265-I287 HydrophobicContact CD2-CG2 4.4Å; L265-I287 HydrophobicContact CG-CG2 4.42Å; L265-L432 HydrophobicContact CD2-CB 4.38Å; L265-L432 HydrophobicContact CD2-CG 4.11Å; L265-I435 HydrophobicContact CD2-CB 3.9Å; L265-I435 HydrophobicContact CD2-CG1 4.22Å; L265-I435 HydrophobicContact CD2-CG2 3.84Å; L265-I435 HydrophobicContact CG-CG2 3.96Å
266R98.3Very high98.5Very high71 Ų7132.1 Ų32.127%0.26816%0.157SC..Hα-helixtrans-62.9-42.9178174.457.4-170.9-127.73.3112.1V262 S263 E264 N270 V271 D334V262-R266 WeakPolarHBondContact O-CB 3.4Å; V262-R266 PolarHBondContact O-N 2.95Å; S263-R266 PolarHBondContact O-N 3.45Å; E264-R266 VanDerWaalsContact C-N 3.3Å; E264-R266 PolarHBondContact O-N 3.49Å; R266-N270 VanDerWaalsContact O-CA 3.24Å; R266-N270 WeakPolarHBondContact O-CA 3.13Å; R266-N270 PolarHBondContact O-N 3.33Å; R266-V271 WeakPolarHBondContact CD-O 3.29Å; R266-D334 IonicContact CZ-OD1 2.74Å; R266-D334 IonicContact CZ-OD2 3.77Å; R266-D334 IonicContact NH1-OD1 3.01Å; R266-D334 PolarHBondContact NH1-OD1 2.72Å; R266-D334 IonicContact NH1-OD2 2.81Å; R266-D334 PolarHBondContact NH1-OD2 2.88Å; R266-D334 IonicContact NH2-OD1 3.85Å
267K97.5Very high98.6Very high150 Ų15029.2 Ų29.265%0.65214%0.142SC*.Hα-helixtrans-64-40.6178-74170.5-177173.20112S263 E264S263-K267 WeakPolarHBondContact O-CB 3.46Å; S263-K267 VanDerWaalsContact O-CG 3.28Å; S263-K267 WeakPolarHBondContact O-CG 3.38Å; S263-K267 PolarHBondContact O-N 3.28Å; E264-K267 PolarHBondContact O-N 3.03Å
268I97.9Very high98.6Very high34 Ų3430.9 Ų30.917%0.17415%0.149CC..Hα-helixtrans-73.1-47.3-178-66.9159000111.6E264 L265 I406 T407 T431 I435E264-I268 HydrophobicContact CB-CD1 4.43Å; E264-I268 WeakPolarHBondContact O-CB 3.2Å; E264-I268 WeakPolarHBondContact O-CD1 3.09Å; E264-I268 VanDerWaalsContact O-CG1 3.23Å; E264-I268 WeakPolarHBondContact O-CG1 3.38Å; E264-I268 PolarHBondContact O-N 3.02Å; L265-I268 PolarHBondContact O-N 2.94Å; I268-I406 WeakPolarHBondContact CD1-O 3.34Å; I268-T407 HydrophobicContact CG1-CG2 4.39Å; I268-T431 HydrophobicContact CD1-CG2 4.38Å; I268-T431 HydrophobicContact CG2-CG2 3.91Å; I268-I435 HydrophobicContact CD1-CD1 3.7Å; I268-I435 HydrophobicContact CD1-CG1 3.79Å
269F98Very high98.5Very high30 Ų3037.2 Ų37.213%0.13218%0.178CC..Hα-helixtrans-99.8-10-169.8-62.6-66.9000114.3L265 V271 I287 K408 R428 T431 L432L265-F269 HydrophobicContact CB-CD2 4.43Å; L265-F269 HydrophobicContact CD2-CD2 4.08Å; L265-F269 HydrophobicContact CD2-CE2 3.66Å; L265-F269 WeakPolarHBondContact O-CB 3.42Å; L265-F269 VanDerWaalsContact O-CD2 3.28Å; L265-F269 WeakPolarHBondContact O-CD2 3.08Å; L265-F269 PolarHBondContact O-N 3.48Å; F269-V271 HydrophobicContact CB-CG2 3.85Å; F269-V271 PolarHBondContact O-N 3.19Å; F269-I287 HydrophobicContact CB-CD1 3.92Å; F269-I287 HydrophobicContact CD1-CD1 4.01Å; F269-I287 HydrophobicContact CD2-CD1 3.87Å; F269-I287 HydrophobicContact CD2-CG2 3.76Å; F269-I287 HydrophobicContact CE1-CD1 4.49Å; F269-I287 HydrophobicContact CE2-CD1 4.35Å; F269-I287 HydrophobicContact CE2-CG2 4.39Å; F269-I287 HydrophobicContact CG-CD1 3.65Å; F269-I287 HydrophobicContact CG-CG2 4.39Å; F269-K408 HydrophobicContact CD1-CD 4.44Å; F269-K408 HydrophobicContact CD1-CG 4.41Å; F269-K408 HydrophobicContact CE1-CD 4.01Å; F269-K408 HydrophobicContact CE1-CG 3.74Å; F269-R428 HydrophobicContact CD1-CG 4.16Å; F269-R428 HydrophobicContact CE1-CB 4.01Å; F269-R428 HydrophobicContact CE1-CG 3.62Å; F269-R428 HydrophobicContact CZ-CG 4.09Å; F269-R428 WeakPolarHBondContact CZ-O 3.43Å; F269-T431 HydrophobicContact CE1-CG2 4.47Å; F269-T431 HydrophobicContact CE2-CG2 4.3Å; F269-T431 HydrophobicContact CZ-CG2 3.73Å; F269-L432 HydrophobicContact CE2-CB 4.35Å; F269-L432 HydrophobicContact CZ-CB 4.39Å
270N97.8Very high98.5Very high124 Ų12437.4 Ų37.466%0.66318%0.181SC*.SBendtrans52.335.3-177.8-164.834.5000114R266R266-N270 VanDerWaalsContact O-CA 3.24Å; R266-N270 WeakPolarHBondContact O-CA 3.13Å; R266-N270 PolarHBondContact O-N 3.33Å
271V98.5Very high98.5Very high48 Ų4835.6 Ų35.629%0.29117%0.174SC..SBendtrans-137.7155.3174.1-66.40000109.6R266 F269 I287 A288R266-V271 WeakPolarHBondContact CD-O 3.29Å; F269-V271 HydrophobicContact CB-CG2 3.85Å; F269-V271 PolarHBondContact O-N 3.19Å; V271-I287 HydrophobicContact CG2-CB 3.87Å; V271-I287 HydrophobicContact CG2-CD1 4.13Å; V271-I287 HydrophobicContact CG2-CG1 4.37Å; V271-A288 HydrophobicContact CB-CB 4.3Å
272P98.8Very high98.5Very high22 Ų2235.9 Ų35.914%0.14318%0.176CC..  trans-55.1142177.7-28.737.5000112.9I287 A288 P309 L310 D334P272-I287 CarbonylContact O-C 3.54Å; P272-I287 WeakPolarHBondContact O-CA 3.4Å; P272-A288 HydrophobicContact CB-CB 4.34Å; P272-A288 WeakPolarHBondContact O-CB 3.28Å; P272-A288 PolarHBondContact O-N 3.31Å; P272-P309 HydrophobicContact CG-CB 4Å; P272-L310 HydrophobicContact CB-CB 4.09Å; P272-L310 HydrophobicContact CB-CD1 4Å; P272-D334 WeakPolarHBondContact CA-OD2 3.49Å
273A98.9Very high98.5Very high0 Ų036.1 Ų36.10%018%0.178CC..EExtended strand (participates in β ladder)trans-132151.4-178.400000110.6V262 L265 A286 I287 S333V262-A273 HydrophobicContact CB-CB 4.26Å; L265-A273 HydrophobicContact CB-CB 3.64Å; L265-A273 HydrophobicContact CD1-CB 4.14Å; A273-A286 WeakPolarHBondContact CA-O 3.44Å; A273-I287 HydrophobicContact CB-CG2 4.07Å; A273-S333 PolarHBondContact N-OG 3.44Å; A273-S333 PolarHBondContact O-N 3.28Å; A273-S333 PolarHBondContact O-OG 3.46Å
274A99Very high98.5Very high0 Ų035.4 Ų35.40%017%0.173CC..EExtended strand (participates in β ladder)trans-142153.5177.600000111.4V262 A285 A286 A313 Y314 A317 A331 L332V262-A274 VanDerWaalsContact CG1-C 3.47Å; A274-A285 WeakPolarHBondContact O-CA 3.46Å; A274-A286 PolarHBondContact N-O 2.87Å; A274-A286 PolarHBondContact O-N 3.42Å; A274-A313 HydrophobicContact CB-CB 4Å; A274-Y314 VanDerWaalsContact CB-CA 3.49Å; A274-A317 HydrophobicContact CB-CB 4.27Å; A274-A317 WeakPolarHBondContact O-CB 3.39Å; A274-A331 VanDerWaalsContact CA-O 3.27Å; A274-A331 WeakPolarHBondContact CA-O 3.38Å; A274-L332 HydrophobicContact CB-CD2 3.95Å
275A99Very high98.5Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-137.3145.4173.800000111.2L261 V262 F277 G284 A285 V330 A331L261-A275 HydrophobicContact CD2-CB 4.3Å; V262-A275 HydrophobicContact CG1-CB 3.63Å; A275-F277 HydrophobicContact CB-CD2 3.95Å; A275-F277 HydrophobicContact CB-CE2 3.87Å; A275-G284 WeakPolarHBondContact CA-O 3.45Å; A275-A285 HydrophobicContact CB-CB 4.31Å; A275-V330 WeakPolarHBondContact O-CA 3.38Å; A275-A331 PolarHBondContact N-O 3.14Å; A275-A331 PolarHBondContact O-N 3.48Å
276S98.9Very high98.5Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-109.1115.8168.5165.40000107.4P282 A283 G284 S325 D328S276-P282 CarbonylContact O-C 3.53Å; S276-P282 WeakPolarHBondContact O-CA 3.25Å; S276-A283 PolarHBondContact O-N 3.39Å; S276-G284 PolarHBondContact N-O 3.16Å; S276-G284 PolarHBondContact O-N 2.84Å; S276-S325 VanDerWaalsContact OG-CB 3.29Å; S276-S325 WeakPolarHBondContact OG-CB 3.31Å; S276-S325 PolarHBondContact OG-OG 2.78Å; S276-D328 VanDerWaalsContact OG-CB 3.25Å; S276-D328 WeakPolarHBondContact OG-CB 3.42Å; S276-D328 PolarHBondContact OG-OD2 3.41Å; S276-D328 VanDerWaalsContact OG-OD2 3.07Å
277F98.8Very high98.6Very high0 Ų031.1 Ų31.10%016%0.156CC..EExtended strand (participates in β ladder)trans-109.5143.9-179.3-95.8-124.3000112.5D254 N257 L261 A275 S281 P282 D328 F329D254-F277 HydrophobicContact CB-CB 4.18Å; N257-F277 HydrophobicContact CB-CD1 4.37Å; N257-F277 HydrophobicContact CB-CE1 3.67Å; N257-F277 HydrophobicContact CB-CZ 4.39Å; L261-F277 HydrophobicContact CB-CZ 4.5Å; L261-F277 HydrophobicContact CD1-CE2 3.69Å; L261-F277 HydrophobicContact CD1-CZ 3.87Å; A275-F277 HydrophobicContact CB-CD2 3.95Å; A275-F277 HydrophobicContact CB-CE2 3.87Å; F277-S281 WeakPolarHBondContact CA-O 3.47Å; F277-P282 HydrophobicContact CD2-CB 4.11Å; F277-P282 HydrophobicContact CE2-CB 3.65Å; F277-P282 HydrophobicContact CE2-CG 4.34Å; F277-P282 HydrophobicContact CZ-CB 4.09Å; F277-P282 HydrophobicContact CZ-CG 4.3Å; F277-D328 CarbonylContact O-C 3.51Å; F277-D328 WeakPolarHBondContact O-CA 3.49Å; F277-D328 WeakPolarHBondContact O-CB 3.42Å; F277-F329 PolarHBondContact N-O 3.49Å; F277-F329 PolarHBondContact O-N 3.3Å
278K98.5Very high98.6Very high56 Ų5624.8 Ų24.824%0.24313%0.132CC..SBendtrans-146.7126.3172-167.678.4-173.2-172.30109.2V280 S281 Y326 G327K278-V280 VanDerWaalsContact C-N 3.33Å; K278-V280 PolarHBondContact O-N 2.69Å; K278-S281 PolarHBondContact N-O 2.87Å; K278-S281 PolarHBondContact O-N 3.37Å; K278-Y326 PolarHBondContact NZ-O 2.95Å; K278-G327 WeakPolarHBondContact CD-O 3.31Å; K278-G327 PolarHBondContact NZ-O 2.86Å
279H98.1Very high98.5Very high132 Ų13225.4 Ų25.461%0.61115%0.146SC*.SBendtrans54.247.8178.4-62.2-61000113.1D254 S281D254-H279 PolarHBondContact OD1-N 3.03Å; H279-S281 VanDerWaalsContact C-N 3.25Å; H279-S281 PolarHBondContact O-N 3.4Å
280V98.4Very high98.3Very high24 Ų2433.3 Ų33.315%0.14518%0.181CC..SBendtrans60.533.7174.5-1550000112.7L253 D254 N257 K278 Q441L253-V280 HydrophobicContact CB-CG1 4.36Å; L253-V280 HydrophobicContact CB-CG2 3.73Å; L253-V280 HydrophobicContact CD1-CG2 4.03Å; D254-V280 VanDerWaalsContact OD1-CA 3.3Å; D254-V280 WeakPolarHBondContact OD1-CA 3.36Å; D254-V280 PolarHBondContact OD1-N 2.82Å; N257-V280 WeakPolarHBondContact ND2-CG1 3.35Å; K278-V280 VanDerWaalsContact C-N 3.33Å; K278-V280 PolarHBondContact O-N 2.69Å; V280-Q441 WeakPolarHBondContact O-CG 3.37Å; V280-Q441 PolarHBondContact O-NE2 2.94Å; V280-Q441 VanDerWaalsContact O-NE2 3.16Å
281S98.8Very high98.2Very high13 Ų1329.2 Ų29.29%0.09116%0.158CC..SBendtrans-146.6149.1171.3-71.70000110.5F277 K278 H279 A283 Q441F277-S281 WeakPolarHBondContact CA-O 3.47Å; K278-S281 PolarHBondContact N-O 2.87Å; K278-S281 PolarHBondContact O-N 3.37Å; H279-S281 VanDerWaalsContact C-N 3.25Å; H279-S281 PolarHBondContact O-N 3.4Å; S281-A283 PolarHBondContact O-N 3.44Å; S281-Q441 WeakPolarHBondContact OG-CG 3.18Å; S281-Q441 PolarHBondContact OG-N 3.29Å
282P98.8Very high98Very high7 Ų729.4 Ų29.45%0.04516%0.162CC..EExtended strand (participates in β ladder)trans-65.6122.817325.3-31.1000110.2L261 S276 F277 G284 Y439 A440 I456L261-P282 HydrophobicContact CD1-CB 4.15Å; L261-P282 HydrophobicContact CD1-CG 4.27Å; S276-P282 CarbonylContact O-C 3.53Å; S276-P282 WeakPolarHBondContact O-CA 3.25Å; F277-P282 HydrophobicContact CD2-CB 4.11Å; F277-P282 HydrophobicContact CE2-CB 3.65Å; F277-P282 HydrophobicContact CE2-CG 4.34Å; F277-P282 HydrophobicContact CZ-CB 4.09Å; F277-P282 HydrophobicContact CZ-CG 4.3Å; P282-G284 VanDerWaalsContact C-N 3.26Å; P282-Y439 WeakPolarHBondContact CD-O 3.32Å; P282-A440 HydrophobicContact CG-CB 4.18Å; P282-I456 HydrophobicContact CB-CD1 3.96Å; P282-I456 HydrophobicContact CG-CD1 3.98Å; P282-I456 WeakPolarHBondContact O-CD1 3.28Å
283A98.6Very high97.8Very high6 Ų635.3 Ų35.35%0.0519%0.192CC..EExtended strand (participates in β ladder)trans-71.7-29.8158.400000110.4S276 S281 C320S276-A283 PolarHBondContact O-N 3.39Å; S281-A283 PolarHBondContact O-N 3.44Å; A283-C320 PolarHBondContact O-SG 2.93Å
284G98.9Very high97.6Very high0 Ų038.2 Ų38.20%021%0.21CC..EExtended strand (participates in β ladder)trans-171.9161.7165.200000112.9A275 S276 P282 A317 T453A275-G284 WeakPolarHBondContact CA-O 3.45Å; S276-G284 PolarHBondContact N-O 3.16Å; S276-G284 PolarHBondContact O-N 2.84Å; P282-G284 VanDerWaalsContact C-N 3.26Å; G284-A317 VanDerWaalsContact CA-O 3.32Å; G284-A317 WeakPolarHBondContact CA-O 3.4Å; G284-T453 VanDerWaalsContact CA-OG1 3.22Å; G284-T453 WeakPolarHBondContact CA-OG1 3.47Å
285A98.9Very high97.5Very high0 Ų038.9 Ų38.90%021%0.213CC..EExtended strand (participates in β ladder)trans-143.5148.9175.400000110.3L261 L265 A274 A275 Q452 T453L261-A285 HydrophobicContact CD1-CB 4.1Å; L261-A285 HydrophobicContact CD2-CB 3.68Å; L265-A285 HydrophobicContact CD1-CB 4.4Å; A274-A285 WeakPolarHBondContact O-CA 3.46Å; A275-A285 HydrophobicContact CB-CB 4.31Å; A285-Q452 WeakPolarHBondContact O-CA 3.33Å; A285-T453 HydrophobicContact CB-CG2 4.17Å; A285-T453 PolarHBondContact N-OG1 2.87Å; A285-T453 PolarHBondContact O-N 3.01Å; A285-T453 PolarHBondContact O-OG1 3.06Å
286A98.9Very high97.3Very high0 Ų039.7 Ų39.70%022%0.219CC..EExtended strand (participates in β ladder)trans-154.915917900000112.1A273 A274 A313 K316 A317 G451 Q452A273-A286 WeakPolarHBondContact CA-O 3.44Å; A274-A286 PolarHBondContact N-O 2.87Å; A274-A286 PolarHBondContact O-N 3.42Å; A286-A313 WeakPolarHBondContact CB-O 3.32Å; A286-K316 HydrophobicContact CB-CB 3.46Å; A286-K316 VanDerWaalsContact CB-CB 3.46Å; A286-A317 HydrophobicContact CB-CB 4.19Å; A286-G451 WeakPolarHBondContact CA-O 3.34Å; A286-Q452 HydrophobicContact CB-CB 3.6Å
287I98.8Very high97.1Very high8 Ų843.6 Ų43.64%0.04124%0.237CC..EExtended strand (participates in β ladder)trans-108.5158.3166.964.1175.1000110.2L265 F269 V271 P272 A273 R428 L432 G451L265-I287 HydrophobicContact CB-CG2 4Å; L265-I287 HydrophobicContact CD1-CG2 4.13Å; L265-I287 HydrophobicContact CD2-CG2 4.4Å; L265-I287 HydrophobicContact CG-CG2 4.42Å; F269-I287 HydrophobicContact CB-CD1 3.92Å; F269-I287 HydrophobicContact CD1-CD1 4.01Å; F269-I287 HydrophobicContact CD2-CD1 3.87Å; F269-I287 HydrophobicContact CD2-CG2 3.76Å; F269-I287 HydrophobicContact CE1-CD1 4.49Å; F269-I287 HydrophobicContact CE2-CD1 4.35Å; F269-I287 HydrophobicContact CE2-CG2 4.39Å; F269-I287 HydrophobicContact CG-CD1 3.65Å; F269-I287 HydrophobicContact CG-CG2 4.39Å; V271-I287 HydrophobicContact CG2-CB 3.87Å; V271-I287 HydrophobicContact CG2-CD1 4.13Å; V271-I287 HydrophobicContact CG2-CG1 4.37Å; P272-I287 CarbonylContact O-C 3.54Å; P272-I287 WeakPolarHBondContact O-CA 3.4Å; A273-I287 HydrophobicContact CB-CG2 4.07Å; I287-R428 HydrophobicContact CD1-CG 3.99Å; I287-L432 HydrophobicContact CG1-CD1 4.17Å; I287-L432 HydrophobicContact CG2-CD1 4.23Å; I287-G451 PolarHBondContact N-O 2.98Å
288A98.3Very high97Very high17 Ų1744.1 Ų44.114%0.1424%0.24CC..SBendtrans-60.9140.717600000110.6V271 P272 P309V271-A288 HydrophobicContact CB-CB 4.3Å; P272-A288 HydrophobicContact CB-CB 4.34Å; P272-A288 WeakPolarHBondContact O-CB 3.28Å; P272-A288 PolarHBondContact O-N 3.31Å; A288-P309 HydrophobicContact CB-CB 3.75Å; A288-P309 WeakPolarHBondContact CB-O 3.3Å
289G95.7Very high96.8Very high46 Ų4641.7 Ų41.747%0.47423%0.23SC..  trans-171.2-161.7-179.600000110.6
290K94.9Very high96.6Very high196 Ų19636.7 Ų36.785%0.85221%0.207SC*.  trans-68.8138.2174.5-62.7-174.6-180-179.10110.4K316K290-K316 VanDerWaalsContact O-CE 3.23Å; K290-K316 WeakPolarHBondContact O-CE 3.23Å; K290-K316 PolarHBondContact O-NZ 3.16Å
291L94.8Very high96.3Very high38 Ų3836 Ų3620%0.19920%0.202CC..  trans-113.8119.3169-176.971.8000106.9E295 S296 Y299 I301 M307 V312L291-E295 HydrophobicContact CD1-CB 3.7Å; L291-E295 HydrophobicContact CG-CB 4.47Å; L291-S296 VanDerWaalsContact CD2-OG 3.26Å; L291-S296 WeakPolarHBondContact CD2-OG 3.31Å; L291-S296 WeakPolarHBondContact CG-OG 3.44Å; L291-Y299 HydrophobicContact CD1-CD2 4.07Å; L291-Y299 HydrophobicContact CD1-CE2 4.2Å; L291-I301 HydrophobicContact CD2-CD1 3.65Å; L291-M307 HydrophobicContact CD2-CE 4.14Å; L291-M307 HydrophobicContact CD2-CG 4.29Å; L291-V312 HydrophobicContact CB-CG1 4.06Å; L291-V312 HydrophobicContact CB-CG2 4.22Å; L291-V312 HydrophobicContact CD2-CG2 4.36Å
292S94.2Very high96Very high52 Ų5240.7 Ų40.736%0.36423%0.226SC..  trans-80.6160.6175.465.10000111.6V294 E295 S296S292-V294 VanDerWaalsContact C-N 3.26Å; S292-V294 PolarHBondContact O-N 3.48Å; S292-E295 PolarHBondContact N-OE2 3.45Å; S292-E295 PolarHBondContact O-N 2.93Å; S292-E295 WeakPolarHBondContact OG-CB 3.4Å; S292-E295 WeakPolarHBondContact OG-CG 3.46Å; S292-E295 PolarHBondContact OG-N 3.36Å; S292-E295 VanDerWaalsContact OG-N 3.13Å; S292-E295 PolarHBondContact OG-OE2 3.19Å; S292-E295 VanDerWaalsContact OG-OE2 3.05Å; S292-S296 PolarHBondContact O-N 3.04Å; S292-S296 PolarHBondContact O-OG 3.23Å
293D94.4Very high95.6Very high146 Ų14644.9 Ų44.978%0.78125%0.248SC*.Hα-helixtrans-58.6-41.7176.6-59.7-19.1000111.1S296 E297D293-S296 WeakPolarHBondContact O-CB 3.45Å; D293-S296 PolarHBondContact O-N 3.01Å; D293-S296 VanDerWaalsContact O-N 3.16Å; D293-E297 PolarHBondContact O-N 3.47Å
294V95.7Very high95.1Very high62 Ų6245.7 Ų45.738%0.37625%0.253SS..Hα-helixtrans-65.6-41.5177.1-172.90000111.4S292 S296 E297 V298 F481 L486S292-V294 VanDerWaalsContact C-N 3.26Å; S292-V294 PolarHBondContact O-N 3.48Å; V294-S296 VanDerWaalsContact C-N 3.27Å; V294-S296 PolarHBondContact O-N 3Å; V294-E297 PolarHBondContact O-N 3.31Å; V294-V298 HydrophobicContact CG1-CG2 4.32Å; V294-V298 WeakPolarHBondContact O-CB 3.38Å; V294-V298 VanDerWaalsContact O-CG2 3.26Å; V294-V298 WeakPolarHBondContact O-CG2 3.2Å; V294-V298 PolarHBondContact O-N 2.92Å; V294-F481 HydrophobicContact CG1-CD1 3.72Å; V294-F481 HydrophobicContact CG1-CE1 4.4Å; V294-L486 HydrophobicContact CG1-CD1 3.87Å
295E96.4Very high94.4Very high13 Ų1355.4 Ų55.46%0.06130%0.298CS..Hα-helixtrans-60.8-39.3173.3-77.4172.313200111.4L291 S292 E297 V298 Y299 F481L291-E295 HydrophobicContact CD1-CB 3.7Å; L291-E295 HydrophobicContact CG-CB 4.47Å; S292-E295 PolarHBondContact N-OE2 3.45Å; S292-E295 PolarHBondContact O-N 2.93Å; S292-E295 WeakPolarHBondContact OG-CB 3.4Å; S292-E295 WeakPolarHBondContact OG-CG 3.46Å; S292-E295 PolarHBondContact OG-N 3.36Å; S292-E295 VanDerWaalsContact OG-N 3.13Å; S292-E295 PolarHBondContact OG-OE2 3.19Å; S292-E295 VanDerWaalsContact OG-OE2 3.05Å; E295-E297 PolarHBondContact O-N 3.01Å; E295-V298 PolarHBondContact O-N 3.23Å; E295-Y299 HydrophobicContact CB-CD2 4.2Å; E295-Y299 HydrophobicContact CB-CE2 3.8Å; E295-Y299 HydrophobicContact CG-CE2 4.16Å; E295-Y299 VanDerWaalsContact O-CB 3.31Å; E295-Y299 WeakPolarHBondContact O-CB 3.29Å; E295-Y299 WeakPolarHBondContact O-CD2 3.38Å; E295-Y299 PolarHBondContact O-N 3.04Å; E295-F481 HydrophobicContact CB-CE1 4.42Å; E295-F481 HydrophobicContact CG-CE1 3.67Å; E295-F481 HydrophobicContact CG-CZ 4.05Å
296S95.2Very high94Very high18 Ų1861 Ų6113%0.12632%0.324CS..Hα-helixtrans-61-45177.9-55.40000111.4L291 S292 D293 V294 Y299 M300 I301 D302L291-S296 VanDerWaalsContact CD2-OG 3.26Å; L291-S296 WeakPolarHBondContact CD2-OG 3.31Å; L291-S296 WeakPolarHBondContact CG-OG 3.44Å; S292-S296 PolarHBondContact O-N 3.04Å; S292-S296 PolarHBondContact O-OG 3.23Å; D293-S296 WeakPolarHBondContact O-CB 3.45Å; D293-S296 PolarHBondContact O-N 3.01Å; D293-S296 VanDerWaalsContact O-N 3.16Å; V294-S296 VanDerWaalsContact C-N 3.27Å; V294-S296 PolarHBondContact O-N 3Å; S296-Y299 CarbonylContact O-C 3.57Å; S296-Y299 PolarHBondContact O-N 3Å; S296-M300 PolarHBondContact O-N 3Å; S296-I301 WeakPolarHBondContact O-CG1 3.31Å; S296-I301 PolarHBondContact O-N 3.22Å; S296-D302 PolarHBondContact O-N 3.24Å
297E95Very high93.9Very high81 Ų8163 Ų6338%0.37933%0.334SS..Hα-helixtrans-64.8-46.6175.2-171.8176.6179.600112D293 V294 E295 Y299 M300 L486D293-E297 PolarHBondContact O-N 3.47Å; V294-E297 PolarHBondContact O-N 3.31Å; E295-E297 PolarHBondContact O-N 3.01Å; E297-Y299 PolarHBondContact O-N 2.95Å; E297-M300 WeakPolarHBondContact O-CA 3.45Å; E297-M300 PolarHBondContact O-N 3.17Å; E297-L486 HydrophobicContact CG-CD2 4.13Å
298V95.4Very high93.8Very high11 Ų1163.4 Ų63.47%0.06734%0.337CS..Hα-helixtrans-62-32.3178.6169.60000112.3V294 E295 M300 R480 F481 L486V294-V298 HydrophobicContact CG1-CG2 4.32Å; V294-V298 WeakPolarHBondContact O-CB 3.38Å; V294-V298 VanDerWaalsContact O-CG2 3.26Å; V294-V298 WeakPolarHBondContact O-CG2 3.2Å; V294-V298 PolarHBondContact O-N 2.92Å; E295-V298 PolarHBondContact O-N 3.23Å; V298-M300 VanDerWaalsContact C-N 3.32Å; V298-R480 HydrophobicContact CG1-CB 3.88Å; V298-R480 VanDerWaalsContact CG1-NH2 3.33Å; V298-R480 WeakPolarHBondContact CG2-O 3.49Å; V298-R480 PolarHBondContact O-NH2 2.71Å; V298-F481 HydrophobicContact CB-CE1 4.2Å; V298-F481 HydrophobicContact CB-CZ 4.19Å; V298-F481 HydrophobicContact CG1-CD2 4.33Å; V298-F481 HydrophobicContact CG1-CE1 4.37Å; V298-F481 HydrophobicContact CG1-CE2 3.86Å; V298-F481 HydrophobicContact CG1-CZ 3.88Å; V298-F481 HydrophobicContact CG2-CD1 3.81Å; V298-F481 HydrophobicContact CG2-CD2 4.34Å; V298-F481 HydrophobicContact CG2-CE1 3.94Å; V298-F481 HydrophobicContact CG2-CE2 4.45Å; V298-F481 HydrophobicContact CG2-CG 4Å; V298-F481 HydrophobicContact CG2-CZ 4.26Å; V298-L486 HydrophobicContact CG2-CD2 3.62Å
299Y95.2Very high93.8Very high6 Ų666.4 Ų66.42%0.02436%0.355CS..THydrogen-bonded Turntrans-89.81.8175.3-55.5-27.6000112.6L291 E295 S296 E297 I301 K316 R322 Q452 W477L291-Y299 HydrophobicContact CD1-CD2 4.07Å; L291-Y299 HydrophobicContact CD1-CE2 4.2Å; E295-Y299 HydrophobicContact CB-CD2 4.2Å; E295-Y299 HydrophobicContact CB-CE2 3.8Å; E295-Y299 HydrophobicContact CG-CE2 4.16Å; E295-Y299 VanDerWaalsContact O-CB 3.31Å; E295-Y299 WeakPolarHBondContact O-CB 3.29Å; E295-Y299 WeakPolarHBondContact O-CD2 3.38Å; E295-Y299 PolarHBondContact O-N 3.04Å; S296-Y299 CarbonylContact O-C 3.57Å; S296-Y299 PolarHBondContact O-N 3Å; E297-Y299 PolarHBondContact O-N 2.95Å; Y299-I301 VanDerWaalsContact C-N 3.31Å; Y299-I301 PolarHBondContact O-N 2.91Å; Y299-K316 HydrophobicContact CE2-CG 4.08Å; Y299-R322 PolarHBondContact O-NH1 3.49Å; Y299-Q452 PolarHBondContact OH-NE2 3.14Å; Y299-Q452 PolarHBondContact OH-OE1 3.26Å; Y299-Q452 VanDerWaalsContact OH-OE1 3.12Å; Y299-W477 PolarHBondContact OH-NE1 2.66Å
300M92.6Very high94Very high26 Ų2664.4 Ų64.413%0.12833%0.333CS..THydrogen-bonded Turntrans53.147.4-179.8-52.8175.9-176.400111.6S296 E297 V298 R496 K499 N500 V503S296-M300 PolarHBondContact O-N 3Å; E297-M300 WeakPolarHBondContact O-CA 3.45Å; E297-M300 PolarHBondContact O-N 3.17Å; V298-M300 VanDerWaalsContact C-N 3.32Å; M300-R496 PolarHBondContact O-NH1 3.17Å; M300-R496 PolarHBondContact O-NH2 3.38Å; M300-K499 HydrophobicContact CE-CB 3.75Å; M300-K499 HydrophobicContact SD-CB 4.23Å; M300-N500 WeakPolarHBondContact CE-OD1 3.27Å; M300-N500 PolarHBondContact SD-OD1 2.89Å; M300-V503 HydrophobicContact CE-CG2 4.36Å
301I93.8Very high94.1Very high9 Ų955.1 Ų55.15%0.04629%0.293CS..  trans-12913178.459.6164.2000111.7L291 S296 Y299 D303 V304 M307 A315 L343L291-I301 HydrophobicContact CD2-CD1 3.65Å; S296-I301 WeakPolarHBondContact O-CG1 3.31Å; S296-I301 PolarHBondContact O-N 3.22Å; Y299-I301 VanDerWaalsContact C-N 3.31Å; Y299-I301 PolarHBondContact O-N 2.91Å; I301-D303 PolarHBondContact O-N 2.98Å; I301-V304 HydrophobicContact CB-CG2 4.21Å; I301-V304 WeakPolarHBondContact O-CB 3.37Å; I301-V304 PolarHBondContact O-N 3.19Å; I301-M307 HydrophobicContact CD1-CE 3.6Å; I301-M307 HydrophobicContact CD1-SD 4.1Å; I301-A315 HydrophobicContact CD1-CB 3.54Å; I301-L343 HydrophobicContact CB-CD2 4.28Å; I301-L343 HydrophobicContact CG2-CD2 3.59Å
302D91.5Very high94.3Very high112 Ų11253.8 Ų53.860%0.59929%0.286SS*.THydrogen-bonded Turntrans-58.4-19.6171.555.7-58.7000112.9S296 V304S296-D302 PolarHBondContact O-N 3.24Å; D302-V304 VanDerWaalsContact C-N 3.31Å
303D89.6Confident94.5Very high96 Ų9651.3 Ų51.351%0.51327%0.269SS..THydrogen-bonded Turntrans-83.11.217474.2-41.5000114.3I301 K346I301-D303 PolarHBondContact O-N 2.98Å; D303-K346 VanDerWaalsContact CG-NZ 3.32Å; D303-K346 IonicContact OD1-NZ 2.73Å; D303-K346 PolarHBondContact OD1-NZ 2.9Å; D303-K346 IonicContact OD2-NZ 2.78Å; D303-K346 PolarHBondContact OD2-NZ 3.1Å
304V88.6Confident94.7Very high23 Ų2344.5 Ų44.514%0.13923%0.232CC..  trans-102.3110.3-175.6-1760000110.3I301 D302 H306 M307 L343I301-V304 HydrophobicContact CB-CG2 4.21Å; I301-V304 WeakPolarHBondContact O-CB 3.37Å; I301-V304 PolarHBondContact O-N 3.19Å; D302-V304 VanDerWaalsContact C-N 3.31Å; V304-H306 WeakPolarHBondContact CG1-O 3.34Å; V304-H306 PolarHBondContact O-N 3.43Å; V304-M307 HydrophobicContact CB-SD 4.11Å; V304-M307 HydrophobicContact CG1-CG 4.28Å; V304-M307 HydrophobicContact CG1-SD 3.7Å; V304-L343 HydrophobicContact CG2-CD2 3.89Å
305E84.4Confident94.9Very high204 Ų20441.9 Ų41.995%0.95322%0.217SC*.SBendtrans-64.6-37-175-64.6-179.6173.600113.9
306H91.7Very high95Very high118 Ų11841.4 Ų41.455%0.54622%0.215SC..  trans-127.6120.8-176.8-172.765.9000111.3V304 E339V304-H306 WeakPolarHBondContact CG1-O 3.34Å; V304-H306 PolarHBondContact O-N 3.43Å; H306-E339 IonicContact CD2-OE1 2.71Å
307M95.2Very high95.1Very high41 Ų4140.6 Ų40.620%0.20221%0.209CC..  trans-113.6111.2178.1-72.7-66.8-62.600109.7L291 I301 V304 A311 V312 A315 L343L291-M307 HydrophobicContact CD2-CE 4.14Å; L291-M307 HydrophobicContact CD2-CG 4.29Å; I301-M307 HydrophobicContact CD1-CE 3.6Å; I301-M307 HydrophobicContact CD1-SD 4.1Å; V304-M307 HydrophobicContact CB-SD 4.11Å; V304-M307 HydrophobicContact CG1-CG 4.28Å; V304-M307 HydrophobicContact CG1-SD 3.7Å; M307-A311 VanDerWaalsContact CE-C 3.43Å; M307-A311 HydrophobicContact CE-CB 3.75Å; M307-A311 WeakPolarHBondContact CE-O 3.49Å; M307-A311 HydrophobicContact SD-CB 4.18Å; M307-V312 HydrophobicContact CB-CG2 3.94Å; M307-V312 HydrophobicContact CE-CG2 4.02Å; M307-A315 HydrophobicContact CE-CB 4.16Å; M307-L343 HydrophobicContact CE-CD1 3.86Å; M307-L343 HydrophobicContact SD-CD1 4.21Å
308T97.7Very high95.3Very high16 Ų1637.3 Ų37.310%0.09819%0.193CC..  trans-72.616117266.90000110.7L310 A311 V312 D337 E339T308-L310 VanDerWaalsContact C-N 3.25Å; T308-L310 PolarHBondContact O-N 3.14Å; T308-A311 PolarHBondContact O-N 2.92Å; T308-A311 VanDerWaalsContact O-N 3.11Å; T308-A311 WeakPolarHBondContact OG1-CB 3.17Å; T308-A311 PolarHBondContact OG1-N 3.4Å; T308-A311 VanDerWaalsContact OG1-N 3.16Å; T308-V312 WeakPolarHBondContact O-CG2 3.38Å; T308-V312 PolarHBondContact O-N 3.34Å; T308-D337 WeakPolarHBondContact CB-OD2 3.38Å; T308-D337 WeakPolarHBondContact CG2-OD2 3.32Å; T308-D337 VanDerWaalsContact OG1-CG 3.31Å; T308-D337 PolarHBondContact OG1-OD1 3.32Å; T308-D337 PolarHBondContact OG1-OD2 3.1Å; T308-E339 HydrophobicContact CG2-CB 4.04Å; T308-E339 HydrophobicContact CG2-CG 3.9Å
309P98.5Very high95.4Very high81 Ų8136.9 Ų36.953%0.52619%0.191SC..Hα-helixtrans-53.5-38.9175.5-3037.6000114.1P272 A288 V312 A313P272-P309 HydrophobicContact CG-CB 4Å; A288-P309 HydrophobicContact CB-CB 3.75Å; A288-P309 WeakPolarHBondContact CB-O 3.3Å; P309-V312 PolarHBondContact O-N 2.61Å; P309-A313 PolarHBondContact O-N 2.92Å
310L98.8Very high95.5Very high4 Ų436.8 Ų36.82%0.02119%0.192CC..Hα-helixtrans-70.7-40.4177.2-17663.7000112P272 T308 V312 A313 Y314 L332 D334 I335 T340P272-L310 HydrophobicContact CB-CB 4.09Å; P272-L310 HydrophobicContact CB-CD1 4Å; T308-L310 VanDerWaalsContact C-N 3.25Å; T308-L310 PolarHBondContact O-N 3.14Å; L310-V312 VanDerWaalsContact C-N 3.29Å; L310-V312 PolarHBondContact O-N 2.97Å; L310-A313 PolarHBondContact O-N 3.41Å; L310-Y314 PolarHBondContact O-N 3.27Å; L310-L332 HydrophobicContact CD1-CB 4.15Å; L310-L332 HydrophobicContact CD1-CD2 4.01Å; L310-L332 HydrophobicContact CD2-CB 4.35Å; L310-L332 HydrophobicContact CD2-CD1 4.32Å; L310-L332 HydrophobicContact CG-CD2 4.3Å; L310-D334 HydrophobicContact CD1-CB 4.43Å; L310-D334 HydrophobicContact CD2-CB 4.22Å; L310-I335 WeakPolarHBondContact CD2-O 3.49Å; L310-T340 HydrophobicContact CD2-CG2 4.48Å; L310-T340 HydrophobicContact CG-CG2 4.31Å
311A98.4Very high95.7Very high0 Ų036.2 Ų36.20%019%0.189CC..Hα-helixtrans-61.8-39.3175.500000111.1M307 T308 Y314 A315 E339 T340 L343M307-A311 VanDerWaalsContact CE-C 3.43Å; M307-A311 HydrophobicContact CE-CB 3.75Å; M307-A311 WeakPolarHBondContact CE-O 3.49Å; M307-A311 HydrophobicContact SD-CB 4.18Å; T308-A311 PolarHBondContact O-N 2.92Å; T308-A311 VanDerWaalsContact O-N 3.11Å; T308-A311 WeakPolarHBondContact OG1-CB 3.17Å; T308-A311 PolarHBondContact OG1-N 3.4Å; T308-A311 VanDerWaalsContact OG1-N 3.16Å; A311-Y314 PolarHBondContact O-N 2.86Å; A311-A315 WeakPolarHBondContact O-CB 3.28Å; A311-A315 PolarHBondContact O-N 3.36Å; A311-E339 HydrophobicContact CB-CB 4.2Å; A311-T340 WeakPolarHBondContact CA-OG1 3.35Å; A311-T340 PolarHBondContact N-OG1 3.18Å; A311-T340 VanDerWaalsContact N-OG1 3.13Å; A311-L343 HydrophobicContact CB-CD1 3.95Å; A311-L343 WeakPolarHBondContact O-CD1 3.46Å
312V98.5Very high95.7Very high10 Ų1036.6 Ų36.66%0.06119%0.19CC..Hα-helixtrans-62.4-48.9173.8173.40000110.7L291 M307 T308 P309 L310 Y314 A315 K316L291-V312 HydrophobicContact CB-CG1 4.06Å; L291-V312 HydrophobicContact CB-CG2 4.22Å; L291-V312 HydrophobicContact CD2-CG2 4.36Å; M307-V312 HydrophobicContact CB-CG2 3.94Å; M307-V312 HydrophobicContact CE-CG2 4.02Å; T308-V312 WeakPolarHBondContact O-CG2 3.38Å; T308-V312 PolarHBondContact O-N 3.34Å; P309-V312 PolarHBondContact O-N 2.61Å; L310-V312 VanDerWaalsContact C-N 3.29Å; L310-V312 PolarHBondContact O-N 2.97Å; V312-Y314 VanDerWaalsContact C-N 3.31Å; V312-Y314 PolarHBondContact O-N 3.03Å; V312-A315 PolarHBondContact O-N 3.39Å; V312-K316 HydrophobicContact CG1-CD 4.13Å; V312-K316 HydrophobicContact CG1-CG 4.37Å; V312-K316 WeakPolarHBondContact O-CB 3.23Å; V312-K316 VanDerWaalsContact O-CG 3.31Å; V312-K316 WeakPolarHBondContact O-CG 3.4Å; V312-K316 PolarHBondContact O-N 3.33Å
313A98.8Very high95.8Very high0 Ų035 Ų350%018%0.181CC..Hα-helixtrans-57.1-45.5177.800000111.3A274 A286 P309 L310 K316 A317A274-A313 HydrophobicContact CB-CB 4Å; A286-A313 WeakPolarHBondContact CB-O 3.32Å; P309-A313 PolarHBondContact O-N 2.92Å; L310-A313 PolarHBondContact O-N 3.41Å; A313-K316 PolarHBondContact O-N 2.89Å; A313-A317 WeakPolarHBondContact O-CB 3.48Å; A313-A317 PolarHBondContact O-N 3.13Å
314Y98.8Very high96.1Very high3 Ų332.1 Ų32.11%0.01217%0.168CC..Hα-helixtrans-65.5-44.7178.3173.6-113000112.9A274 L310 A311 V312 K316 A317 R318 V330 T340 L343 I344A274-Y314 VanDerWaalsContact CB-CA 3.49Å; L310-Y314 PolarHBondContact O-N 3.27Å; A311-Y314 PolarHBondContact O-N 2.86Å; V312-Y314 VanDerWaalsContact C-N 3.31Å; V312-Y314 PolarHBondContact O-N 3.03Å; Y314-K316 VanDerWaalsContact C-N 3.27Å; Y314-K316 PolarHBondContact O-N 3.47Å; Y314-A317 PolarHBondContact O-N 2.88Å; Y314-R318 HydrophobicContact CE2-CB 4.29Å; Y314-R318 PolarHBondContact O-N 3.29Å; Y314-R318 WeakPolarHBondContact OH-CD 3.43Å; Y314-V330 HydrophobicContact CD2-CG1 3.64Å; Y314-V330 HydrophobicContact CE2-CB 4.25Å; Y314-V330 HydrophobicContact CE2-CG1 3.56Å; Y314-V330 HydrophobicContact CE2-CG2 3.6Å; Y314-T340 HydrophobicContact CD1-CG2 4.39Å; Y314-T340 HydrophobicContact CG-CG2 4.37Å; Y314-L343 HydrophobicContact CD1-CB 3.8Å; Y314-L343 HydrophobicContact CD1-CD1 4.09Å; Y314-L343 HydrophobicContact CE1-CB 3.75Å; Y314-I344 HydrophobicContact CD1-CG1 4.04Å; Y314-I344 HydrophobicContact CE1-CB 4.36Å; Y314-I344 HydrophobicContact CE1-CG1 3.45Å; Y314-I344 VanDerWaalsContact CE1-CG1 3.45Å; Y314-I344 HydrophobicContact CE2-CG1 4.11Å; Y314-I344 VanDerWaalsContact CZ-CG1 3.49Å
315A98.3Very high96.5Very high8 Ų831 Ų317%0.06616%0.162CC..Hα-helixtrans-56.9-44177.300000111.6I301 M307 A311 V312 G319 L343I301-A315 HydrophobicContact CD1-CB 3.54Å; M307-A315 HydrophobicContact CE-CB 4.16Å; A311-A315 WeakPolarHBondContact O-CB 3.28Å; A311-A315 PolarHBondContact O-N 3.36Å; V312-A315 PolarHBondContact O-N 3.39Å; A315-G319 VanDerWaalsContact O-CA 3.29Å; A315-G319 WeakPolarHBondContact O-CA 3.35Å; A315-G319 PolarHBondContact O-N 2.91Å; A315-L343 HydrophobicContact CB-CD1 4.2Å
316K98.5Very high97Very high3 Ų327.6 Ų27.61%0.01314%0.141CC..Hα-helixtrans-65.7-46.2176-72.8-168.5165.9-1660112.9A286 K290 Y299 V312 A313 Y314 G319 C320 N450 Q452A286-K316 HydrophobicContact CB-CB 3.46Å; A286-K316 VanDerWaalsContact CB-CB 3.46Å; K290-K316 VanDerWaalsContact O-CE 3.23Å; K290-K316 WeakPolarHBondContact O-CE 3.23Å; K290-K316 PolarHBondContact O-NZ 3.16Å; Y299-K316 HydrophobicContact CE2-CG 4.08Å; V312-K316 HydrophobicContact CG1-CD 4.13Å; V312-K316 HydrophobicContact CG1-CG 4.37Å; V312-K316 WeakPolarHBondContact O-CB 3.23Å; V312-K316 VanDerWaalsContact O-CG 3.31Å; V312-K316 WeakPolarHBondContact O-CG 3.4Å; V312-K316 PolarHBondContact O-N 3.33Å; A313-K316 PolarHBondContact O-N 2.89Å; Y314-K316 VanDerWaalsContact C-N 3.27Å; Y314-K316 PolarHBondContact O-N 3.47Å; K316-G319 CarbonylContact O-C 3.47Å; K316-G319 WeakPolarHBondContact O-CA 3.49Å; K316-G319 PolarHBondContact O-N 3.48Å; K316-G319 VanDerWaalsContact O-N 3.13Å; K316-C320 PolarHBondContact O-N 3.05Å; K316-C320 VanDerWaalsContact O-N 3.11Å; K316-N450 PolarHBondContact NZ-O 3.13Å; K316-Q452 HydrophobicContact CB-CB 4.07Å; K316-Q452 HydrophobicContact CD-CB 4.38Å
317A98.8Very high97.2Very high0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-60.3-50.6179.300000111.9A274 G284 A286 A313 Y314 G319 C320A274-A317 HydrophobicContact CB-CB 4.27Å; A274-A317 WeakPolarHBondContact O-CB 3.39Å; G284-A317 VanDerWaalsContact CA-O 3.32Å; G284-A317 WeakPolarHBondContact CA-O 3.4Å; A286-A317 HydrophobicContact CB-CB 4.19Å; A313-A317 WeakPolarHBondContact O-CB 3.48Å; A313-A317 PolarHBondContact O-N 3.13Å; Y314-A317 PolarHBondContact O-N 2.88Å; A317-G319 PolarHBondContact O-N 3.36Å; A317-C320 WeakPolarHBondContact O-CB 3.41Å; A317-C320 PolarHBondContact O-N 2.62Å
318R98.2Very high97.4Very high12 Ų1220.3 Ų20.35%0.04511%0.108CC..Hα-helixtrans-66.8-30.3174.3-171.9177-173.479.24.5112.1Y314 C320 S325 D328 E347 V348Y314-R318 HydrophobicContact CE2-CB 4.29Å; Y314-R318 PolarHBondContact O-N 3.29Å; Y314-R318 WeakPolarHBondContact OH-CD 3.43Å; R318-C320 VanDerWaalsContact C-N 3.28Å; R318-C320 PolarHBondContact O-N 3.07Å; R318-S325 PolarHBondContact NH1-O 2.86Å; R318-S325 PolarHBondContact NH2-O 3.43Å; R318-S325 VanDerWaalsContact NH2-O 3.12Å; R318-D328 IonicContact CZ-OD1 2.82Å; R318-D328 IonicContact NH1-OD1 3.46Å; R318-D328 PolarHBondContact NH1-OD1 3.21Å; R318-D328 IonicContact NH1-OD2 2.7Å; R318-D328 PolarHBondContact NH1-OD2 2.81Å; R318-E347 IonicContact CZ-OE2 3.68Å; R318-E347 IonicContact NE-OE2 2.77Å; R318-E347 PolarHBondContact NE-OE2 3.34Å; R318-E347 IonicContact NH2-OE2 3.66Å; R318-E347 PolarHBondContact NH2-OE2 3.46Å; R318-V348 PolarHBondContact NH2-O 2.91Å
319G97.1Very high97.4Very high2 Ų219.6 Ų19.62%0.02110%0.103CC..Hα-helixtrans-67.1-21.6179.900000114.6A315 K316 A317 R480A315-G319 VanDerWaalsContact O-CA 3.29Å; A315-G319 WeakPolarHBondContact O-CA 3.35Å; A315-G319 PolarHBondContact O-N 2.91Å; K316-G319 CarbonylContact O-C 3.47Å; K316-G319 WeakPolarHBondContact O-CA 3.49Å; K316-G319 PolarHBondContact O-N 3.48Å; K316-G319 VanDerWaalsContact O-N 3.13Å; A317-G319 PolarHBondContact O-N 3.36Å; G319-R480 PolarHBondContact O-NH1 3.4Å
320C98.1Very high97.5Very high5 Ų515.7 Ų15.73%0.0348%0.078CC..Hα-helixtrans-54.2-60.7174.8176.40000111.6A283 K316 A317 R318 T453A283-C320 PolarHBondContact O-SG 2.93Å; K316-C320 PolarHBondContact O-N 3.05Å; K316-C320 VanDerWaalsContact O-N 3.11Å; A317-C320 WeakPolarHBondContact O-CB 3.41Å; A317-C320 PolarHBondContact O-N 2.62Å; R318-C320 VanDerWaalsContact C-N 3.28Å; R318-C320 PolarHBondContact O-N 3.07Å; C320-T453 VanDerWaalsContact CB-O 3.26Å; C320-T453 WeakPolarHBondContact CB-O 3.38Å; C320-T453 PolarHBondContact SG-O 3.36Å; C320-T453 VanDerWaalsContact SG-O 3.32Å; C320-T453 PolarHBondContact SG-OG1 3.41Å; C320-T453 VanDerWaalsContact SG-OG1 3.37Å
321D96.6Very high97.5Very high14 Ų1415.5 Ų15.58%0.0758%0.077CC..  trans-141.595.6178.2-173.7-18.7000109.6L323 S324 S325 K473D321-L323 VanDerWaalsContact C-N 3.28Å; D321-L323 PolarHBondContact O-N 3.26Å; D321-L323 PolarHBondContact OD1-N 2.92Å; D321-S324 VanDerWaalsContact CG-CB 3.43Å; D321-S324 PolarHBondContact O-N 3.47Å; D321-S324 PolarHBondContact OD1-N 2.65Å; D321-S324 PolarHBondContact OD1-OG 3.13Å; D321-S324 WeakPolarHBondContact OD2-CB 3.46Å; D321-S324 PolarHBondContact OD2-OG 3.44Å; D321-S325 WeakPolarHBondContact O-CB 3.49Å; D321-S325 PolarHBondContact O-N 2.95Å; D321-S325 PolarHBondContact O-OG 3.29Å; D321-K473 WeakPolarHBondContact OD2-CE 3.43Å; D321-K473 IonicContact OD2-NZ 3.26Å; D321-K473 PolarHBondContact OD2-NZ 2.78Å
322R94.3Very high97.5Very high17 Ų1715.5 Ų15.56%0.0648%0.077CC..THydrogen-bonded Turntrans-67.8-29.1-177.3-67.3-164.567.3143.75.8113.1Y299 E347 N500Y299-R322 PolarHBondContact O-NH1 3.49Å; R322-E347 IonicContact CZ-OE1 2.7Å; R322-E347 IonicContact NH2-OE1 2.81Å; R322-E347 PolarHBondContact NH2-OE1 3.42Å; R322-E347 IonicContact NH2-OE2 3.4Å; R322-E347 PolarHBondContact NH2-OE2 3Å; R322-N500 WeakPolarHBondContact CD-OD1 3.31Å; R322-N500 VanDerWaalsContact CZ-OD1 3.23Å; R322-N500 VanDerWaalsContact NE-CG 3.32Å; R322-N500 PolarHBondContact NE-ND2 3.4Å; R322-N500 VanDerWaalsContact NE-ND2 3.11Å; R322-N500 PolarHBondContact NE-OD1 2.94Å; R322-N500 PolarHBondContact NH2-ND2 3.19Å
323L92.7Very high97.5Very high77 Ų7715.6 Ų15.640%0.4038%0.079SC..THydrogen-bonded Turntrans-70.7-49.6177.8-17864.8000109.6D321 S325 Y326D321-L323 VanDerWaalsContact C-N 3.28Å; D321-L323 PolarHBondContact O-N 3.26Å; D321-L323 PolarHBondContact OD1-N 2.92Å; L323-S325 PolarHBondContact O-N 2.86Å; L323-Y326 VanDerWaalsContact O-CB 3.32Å; L323-Y326 WeakPolarHBondContact O-CB 3.42Å; L323-Y326 PolarHBondContact O-N 3.08Å; L323-Y326 VanDerWaalsContact O-N 3.16Å
324S95.7Very high97.5Very high37 Ų3717.6 Ų17.626%0.2599%0.089SC..THydrogen-bonded Turntrans-63.9-29.1175.6-63.60000112.7D321 Y326D321-S324 VanDerWaalsContact CG-CB 3.43Å; D321-S324 PolarHBondContact O-N 3.47Å; D321-S324 PolarHBondContact OD1-N 2.65Å; D321-S324 PolarHBondContact OD1-OG 3.13Å; D321-S324 WeakPolarHBondContact OD2-CB 3.46Å; D321-S324 PolarHBondContact OD2-OG 3.44Å; S324-Y326 PolarHBondContact O-N 2.81Å
325S97.4Very high97.5Very high0 Ų022.5 Ų22.50%012%0.115CC..THydrogen-bonded Turntrans-77.62.7177-57.30000114.3S276 R318 D321 L323 G327 D328S276-S325 VanDerWaalsContact OG-CB 3.29Å; S276-S325 WeakPolarHBondContact OG-CB 3.31Å; S276-S325 PolarHBondContact OG-OG 2.78Å; R318-S325 PolarHBondContact NH1-O 2.86Å; R318-S325 PolarHBondContact NH2-O 3.43Å; R318-S325 VanDerWaalsContact NH2-O 3.12Å; D321-S325 WeakPolarHBondContact O-CB 3.49Å; D321-S325 PolarHBondContact O-N 2.95Å; D321-S325 PolarHBondContact O-OG 3.29Å; L323-S325 PolarHBondContact O-N 2.86Å; S325-G327 PolarHBondContact O-N 3.24Å; S325-G327 VanDerWaalsContact O-N 3.13Å; S325-D328 WeakPolarHBondContact O-CB 3.16Å; S325-D328 PolarHBondContact O-N 3.22Å; S325-D328 VanDerWaalsContact O-N 3.14Å
326Y95.5Very high97.6Very high132 Ų13222.1 Ų22.152%0.51811%0.111SC..THydrogen-bonded Turntrans-68111176.2-173.4-87.4000111K278 L323 S324 V348 A497K278-Y326 PolarHBondContact NZ-O 2.95Å; L323-Y326 VanDerWaalsContact O-CB 3.32Å; L323-Y326 WeakPolarHBondContact O-CB 3.42Å; L323-Y326 PolarHBondContact O-N 3.08Å; L323-Y326 VanDerWaalsContact O-N 3.16Å; S324-Y326 PolarHBondContact O-N 2.81Å; Y326-V348 HydrophobicContact CD1-CG1 4.4Å; Y326-V348 HydrophobicContact CD2-CB 4.02Å; Y326-V348 HydrophobicContact CD2-CG1 4.35Å; Y326-V348 HydrophobicContact CD2-CG2 4.35Å; Y326-V348 HydrophobicContact CE1-CG1 4Å; Y326-V348 HydrophobicContact CE2-CB 3.75Å; Y326-V348 HydrophobicContact CE2-CG1 3.94Å; Y326-V348 HydrophobicContact CE2-CG2 3.66Å; Y326-A497 HydrophobicContact CE2-CB 4.15Å
327G96.3Very high97.6Very high5 Ų523.5 Ų23.55%0.05212%0.119CC..THydrogen-bonded Turntrans7039.1-171.800000112.1K278 S325 V348K278-G327 WeakPolarHBondContact CD-O 3.31Å; K278-G327 PolarHBondContact NZ-O 2.86Å; S325-G327 PolarHBondContact O-N 3.24Å; S325-G327 VanDerWaalsContact O-N 3.13Å; G327-V348 PolarHBondContact N-O 3.44Å
328D98.5Very high97.5Very high0 Ų026.7 Ų26.70%013%0.133CC..EExtended strand (participates in β ladder)trans-65.9163.3173.263.5-21.6000112.6S276 F277 R318 S325 S349 D350S276-D328 VanDerWaalsContact OG-CB 3.25Å; S276-D328 WeakPolarHBondContact OG-CB 3.42Å; S276-D328 PolarHBondContact OG-OD2 3.41Å; S276-D328 VanDerWaalsContact OG-OD2 3.07Å; F277-D328 CarbonylContact O-C 3.51Å; F277-D328 WeakPolarHBondContact O-CA 3.49Å; F277-D328 WeakPolarHBondContact O-CB 3.42Å; R318-D328 IonicContact CZ-OD1 2.82Å; R318-D328 IonicContact NH1-OD1 3.46Å; R318-D328 PolarHBondContact NH1-OD1 3.21Å; R318-D328 IonicContact NH1-OD2 2.7Å; R318-D328 PolarHBondContact NH1-OD2 2.81Å; S325-D328 WeakPolarHBondContact O-CB 3.16Å; S325-D328 PolarHBondContact O-N 3.22Å; S325-D328 VanDerWaalsContact O-N 3.14Å; D328-S349 PolarHBondContact O-OG 2.88Å; D328-S349 WeakPolarHBondContact OD1-CA 3.49Å; D328-S349 WeakPolarHBondContact OD1-CB 3.31Å; D328-S349 PolarHBondContact OD1-OG 3.39Å; D328-D350 PolarHBondContact O-N 2.91Å
329F98.8Very high97.5Very high1 Ų128.4 Ų28.40%0.00414%0.141CC..EExtended strand (participates in β ladder)trans-103.3121.7159.4-153.4-76.6000108.7N251 D254 A255 F277 I353 L376N251-F329 HydrophobicContact CB-CD2 3.97Å; N251-F329 HydrophobicContact CB-CE2 3.78Å; D254-F329 HydrophobicContact CB-CB 3.62Å; D254-F329 HydrophobicContact CB-CG 4.11Å; A255-F329 HydrophobicContact CB-CD1 3.87Å; A255-F329 HydrophobicContact CB-CE1 3.41Å; A255-F329 VanDerWaalsContact CB-CE1 3.41Å; A255-F329 HydrophobicContact CB-CE2 4.48Å; A255-F329 HydrophobicContact CB-CZ 3.77Å; F277-F329 PolarHBondContact N-O 3.49Å; F277-F329 PolarHBondContact O-N 3.3Å; F329-I353 HydrophobicContact CD1-CG2 4.39Å; F329-I353 HydrophobicContact CE1-CB 3.91Å; F329-I353 HydrophobicContact CE1-CG2 3.93Å; F329-L376 HydrophobicContact CE1-CD1 4.34Å; F329-L376 HydrophobicContact CZ-CD1 3.71Å; F329-L376 HydrophobicContact CZ-CG 4.14Å
330V98.9Very high97.6Very high0 Ų028.3 Ų28.30%014%0.14CC..EExtended strand (participates in β ladder)trans-89.1135.8-175.5-176.90000110.1A275 Y314 L332 I344 G351 V352 I353A275-V330 WeakPolarHBondContact O-CA 3.38Å; Y314-V330 HydrophobicContact CD2-CG1 3.64Å; Y314-V330 HydrophobicContact CE2-CB 4.25Å; Y314-V330 HydrophobicContact CE2-CG1 3.56Å; Y314-V330 HydrophobicContact CE2-CG2 3.6Å; V330-L332 HydrophobicContact CG1-CD2 3.86Å; V330-L332 HydrophobicContact CG1-CG 4.11Å; V330-I344 HydrophobicContact CG1-CD1 4.15Å; V330-G351 PolarHBondContact N-O 3.16Å; V330-V352 HydrophobicContact CB-CB 4.08Å; V330-V352 HydrophobicContact CB-CG2 3.94Å; V330-V352 HydrophobicContact CG1-CG2 4.07Å; V330-V352 CarbonylContact O-C 3.6Å; V330-V352 WeakPolarHBondContact O-CA 3.45Å; V330-I353 PolarHBondContact O-N 3.32Å
331A99Very high97.6Very high0 Ų028 Ų280%014%0.139CC..EExtended strand (participates in β ladder)trans-117.8140.8164.600000111S258 V262 A274 A275 I353S258-A331 VanDerWaalsContact C-CB 3.47Å; S258-A331 VanDerWaalsContact CB-CB 3.5Å; S258-A331 WeakPolarHBondContact O-CB 3.39Å; S258-A331 WeakPolarHBondContact OG-CB 3.22Å; V262-A331 HydrophobicContact CG1-CB 3.99Å; V262-A331 HydrophobicContact CG2-CB 3.86Å; A274-A331 VanDerWaalsContact CA-O 3.27Å; A274-A331 WeakPolarHBondContact CA-O 3.38Å; A275-A331 PolarHBondContact N-O 3.14Å; A275-A331 PolarHBondContact O-N 3.48Å; A331-I353 WeakPolarHBondContact CA-O 3.29Å; A331-I353 HydrophobicContact CB-CG2 3.71Å
332L99Very high97.6Very high0 Ų030.6 Ų30.60%015%0.15CC..EExtended strand (participates in β ladder)trans-128.9130.3-179.4-56.3174.4000108.6W259 A274 L310 V330 D334 C336 T340 I344 V352 I353 A354 P355W259-L332 WeakPolarHBondContact CZ3-O 3.41Å; A274-L332 HydrophobicContact CB-CD2 3.95Å; L310-L332 HydrophobicContact CD1-CB 4.15Å; L310-L332 HydrophobicContact CD1-CD2 4.01Å; L310-L332 HydrophobicContact CD2-CB 4.35Å; L310-L332 HydrophobicContact CD2-CD1 4.32Å; L310-L332 HydrophobicContact CG-CD2 4.3Å; V330-L332 HydrophobicContact CG1-CD2 3.86Å; V330-L332 HydrophobicContact CG1-CG 4.11Å; L332-D334 VanDerWaalsContact C-N 3.26Å; L332-D334 PolarHBondContact O-N 2.77Å; L332-C336 HydrophobicContact CD1-CB 3.69Å; L332-T340 HydrophobicContact CD1-CG2 3.92Å; L332-T340 HydrophobicContact CD2-CG2 3.96Å; L332-I344 HydrophobicContact CD1-CD1 4.34Å; L332-V352 HydrophobicContact CD1-CG2 3.91Å; L332-V352 HydrophobicContact CG-CG2 4.21Å; L332-I353 PolarHBondContact N-O 3.31Å; L332-A354 HydrophobicContact CB-CB 4.01Å; L332-A354 HydrophobicContact CD1-CB 4.36Å; L332-P355 VanDerWaalsContact O-CD 3.32Å; L332-P355 WeakPolarHBondContact O-CD 3.37Å
333S98.9Very high97.7Very high12 Ų1230.1 Ų30.18%0.08415%0.149CC..SBendtrans-74.6-15.9179.764.80000114.4A273A273-S333 PolarHBondContact N-OG 3.44Å; A273-S333 PolarHBondContact O-N 3.28Å; A273-S333 PolarHBondContact O-OG 3.46Å
334D98.8Very high98Very high41 Ų4126.5 Ų26.522%0.21913%0.13CC..SBendtrans-128.7168.4-171.4-74.6-116.4000110.5R266 P272 L310 L332 C336 P355R266-D334 IonicContact CZ-OD1 2.74Å; R266-D334 IonicContact CZ-OD2 3.77Å; R266-D334 IonicContact NH1-OD1 3.01Å; R266-D334 PolarHBondContact NH1-OD1 2.72Å; R266-D334 IonicContact NH1-OD2 2.81Å; R266-D334 PolarHBondContact NH1-OD2 2.88Å; R266-D334 IonicContact NH2-OD1 3.85Å; P272-D334 WeakPolarHBondContact CA-OD2 3.49Å; L310-D334 HydrophobicContact CD1-CB 4.43Å; L310-D334 HydrophobicContact CD2-CB 4.22Å; L332-D334 VanDerWaalsContact C-N 3.26Å; L332-D334 PolarHBondContact O-N 2.77Å; D334-C336 PolarHBondContact O-N 2.78Å; D334-P355 WeakPolarHBondContact O-CD 3.34Å
335I98.8Very high98Very high107 Ų10726.6 Ų26.655%0.54913%0.13SC..  trans-54.6124.1175.2-63.9175.7000109.1L310 D337 G356L310-I335 WeakPolarHBondContact CD2-O 3.49Å; I335-D337 PolarHBondContact O-N 3.4Å; I335-G356 WeakPolarHBondContact CA-O 3.15Å
336C98.9Very high97.9Very high0 Ų030.4 Ų30.40%015%0.147CC..BIsolated β-bridgetrans-65.5110.6179-175.80000110.1L332 D334 A354 G356 Y357 H358 A361L332-C336 HydrophobicContact CD1-CB 3.69Å; D334-C336 PolarHBondContact O-N 2.78Å; C336-A354 HydrophobicContact CB-CB 4.48Å; C336-G356 PolarHBondContact N-O 3.26Å; C336-Y357 HydrophobicContact CB-CD1 3.42Å; C336-Y357 VanDerWaalsContact CB-CD1 3.42Å; C336-Y357 HydrophobicContact CB-CE1 3.75Å; C336-Y357 HydrophobicContact CB-CG 4.21Å; C336-H358 WeakPolarHBondContact O-CB 3.39Å; C336-H358 PolarHBondContact O-N 3.05Å; C336-A361 VanDerWaalsContact O-CB 3.27Å; C336-A361 WeakPolarHBondContact O-CB 3.08Å
337D98.7Very high97.8Very high31 Ų3125 Ų2517%0.16613%0.126CC..  trans-77.7172.6174.159.334.2000112.1T308 I335 E339 T340 A341 A361T308-D337 WeakPolarHBondContact CB-OD2 3.38Å; T308-D337 WeakPolarHBondContact CG2-OD2 3.32Å; T308-D337 VanDerWaalsContact OG1-CG 3.31Å; T308-D337 PolarHBondContact OG1-OD1 3.32Å; T308-D337 PolarHBondContact OG1-OD2 3.1Å; I335-D337 PolarHBondContact O-N 3.4Å; D337-E339 VanDerWaalsContact C-N 3.35Å; D337-T340 WeakPolarHBondContact OD1-CA 3.13Å; D337-T340 WeakPolarHBondContact OD1-CB 3.15Å; D337-T340 PolarHBondContact OD1-N 2.65Å; D337-T340 PolarHBondContact OD1-OG1 3.1Å; D337-A341 WeakPolarHBondContact O-CB 3.25Å; D337-A341 PolarHBondContact O-N 3.4Å; D337-A341 VanDerWaalsContact O-N 3.15Å; D337-A361 VanDerWaalsContact O-CB 3.29Å; D337-A361 WeakPolarHBondContact O-CB 3.29Å
338F97.9Very high97.8Very high67 Ų6727.6 Ų27.629%0.29414%0.141SC..Hα-helixtrans-69.3-37.2-174.8-178.4-112.9000111.6A341 Q342 K360 L364F338-A341 CarbonylContact O-C 3.32Å; F338-A341 WeakPolarHBondContact O-CB 3.19Å; F338-A341 PolarHBondContact O-N 2.92Å; F338-Q342 HydrophobicContact CD1-CG 4.26Å; F338-Q342 VanDerWaalsContact CE1-CD 3.45Å; F338-Q342 HydrophobicContact CE1-CG 3.94Å; F338-Q342 VanDerWaalsContact CE1-NE2 3.32Å; F338-Q342 HydrophobicContact CE2-CG 4.45Å; F338-Q342 HydrophobicContact CZ-CG 4.04Å; F338-Q342 WeakPolarHBondContact O-CG 3.33Å; F338-Q342 PolarHBondContact O-N 3.45Å; F338-K360 HydrophobicContact CD2-CB 3.61Å; F338-K360 HydrophobicContact CE2-CB 4.11Å; F338-K360 HydrophobicContact CG-CB 4.28Å; F338-L364 HydrophobicContact CD2-CD2 4.4Å; F338-L364 HydrophobicContact CE2-CB 4.38Å; F338-L364 HydrophobicContact CE2-CD2 3.9Å; F338-L364 HydrophobicContact CZ-CD2 4.46Å
339E97.7Very high97.8Very high48 Ų4827.7 Ų27.722%0.22414%0.142CC..Hα-helixtrans-63.7-48.2-179.7-65.474.7-169.100110.8H306 T308 A311 D337 A341 Q342 L343H306-E339 IonicContact CD2-OE1 2.71Å; T308-E339 HydrophobicContact CG2-CB 4.04Å; T308-E339 HydrophobicContact CG2-CG 3.9Å; A311-E339 HydrophobicContact CB-CB 4.2Å; D337-E339 VanDerWaalsContact C-N 3.35Å; E339-A341 VanDerWaalsContact C-N 3.33Å; E339-A341 PolarHBondContact O-N 3.05Å; E339-Q342 WeakPolarHBondContact O-CB 3.4Å; E339-Q342 PolarHBondContact O-N 2.65Å; E339-Q342 VanDerWaalsContact O-N 3.14Å; E339-L343 WeakPolarHBondContact O-CG 3.39Å; E339-L343 PolarHBondContact O-N 3.29Å; E339-L343 VanDerWaalsContact O-N 3.11Å
340T98.5Very high97.7Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-60.6-44173.9-55.20000110.6L310 A311 Y314 L332 D337 Q342 L343 I344L310-T340 HydrophobicContact CD2-CG2 4.48Å; L310-T340 HydrophobicContact CG-CG2 4.31Å; A311-T340 WeakPolarHBondContact CA-OG1 3.35Å; A311-T340 PolarHBondContact N-OG1 3.18Å; A311-T340 VanDerWaalsContact N-OG1 3.13Å; Y314-T340 HydrophobicContact CD1-CG2 4.39Å; Y314-T340 HydrophobicContact CG-CG2 4.37Å; L332-T340 HydrophobicContact CD1-CG2 3.92Å; L332-T340 HydrophobicContact CD2-CG2 3.96Å; D337-T340 WeakPolarHBondContact OD1-CA 3.13Å; D337-T340 WeakPolarHBondContact OD1-CB 3.15Å; D337-T340 PolarHBondContact OD1-N 2.65Å; D337-T340 PolarHBondContact OD1-OG1 3.1Å; T340-Q342 VanDerWaalsContact C-N 3.3Å; T340-Q342 PolarHBondContact O-N 3.16Å; T340-L343 WeakPolarHBondContact O-CB 3.49Å; T340-L343 PolarHBondContact O-N 2.74Å; T340-I344 HydrophobicContact CG2-CD1 4.08Å; T340-I344 WeakPolarHBondContact O-CG1 3.26Å; T340-I344 PolarHBondContact O-N 3.2Å
341A98.3Very high97.7Very high0 Ų030 Ų300%016%0.155CC..Hα-helixtrans-62.8-34.917600000112.9D337 F338 E339 I344 S345 A361 L364 L365D337-A341 WeakPolarHBondContact O-CB 3.25Å; D337-A341 PolarHBondContact O-N 3.4Å; D337-A341 VanDerWaalsContact O-N 3.15Å; F338-A341 CarbonylContact O-C 3.32Å; F338-A341 WeakPolarHBondContact O-CB 3.19Å; F338-A341 PolarHBondContact O-N 2.92Å; E339-A341 VanDerWaalsContact C-N 3.33Å; E339-A341 PolarHBondContact O-N 3.05Å; A341-I344 PolarHBondContact O-N 2.63Å; A341-S345 VanDerWaalsContact O-CB 3.24Å; A341-S345 WeakPolarHBondContact O-CB 3.03Å; A341-S345 PolarHBondContact O-N 3.34Å; A341-A361 HydrophobicContact CB-CB 3.66Å; A341-L364 HydrophobicContact CB-CD2 4.21Å; A341-L365 HydrophobicContact CB-CD1 4.1Å; A341-L365 HydrophobicContact CB-CD2 4.11Å; A341-L365 HydrophobicContact CB-CG 3.86Å
342Q97.2Very high97.7Very high68 Ų6830 Ų3032%0.31816%0.155SC..Hα-helixtrans-62.2-44.7173.2-75.9178.3-47.800111.1F338 E339 T340 S345 K346 L364F338-Q342 HydrophobicContact CD1-CG 4.26Å; F338-Q342 VanDerWaalsContact CE1-CD 3.45Å; F338-Q342 HydrophobicContact CE1-CG 3.94Å; F338-Q342 VanDerWaalsContact CE1-NE2 3.32Å; F338-Q342 HydrophobicContact CE2-CG 4.45Å; F338-Q342 HydrophobicContact CZ-CG 4.04Å; F338-Q342 WeakPolarHBondContact O-CG 3.33Å; F338-Q342 PolarHBondContact O-N 3.45Å; E339-Q342 WeakPolarHBondContact O-CB 3.4Å; E339-Q342 PolarHBondContact O-N 2.65Å; E339-Q342 VanDerWaalsContact O-N 3.14Å; T340-Q342 VanDerWaalsContact C-N 3.3Å; T340-Q342 PolarHBondContact O-N 3.16Å; Q342-S345 PolarHBondContact O-N 3.17Å; Q342-S345 PolarHBondContact O-OG 2.69Å; Q342-K346 WeakPolarHBondContact O-CG 3.44Å; Q342-K346 PolarHBondContact O-N 2.68Å; Q342-L364 HydrophobicContact CB-CD2 4.34Å; Q342-L364 HydrophobicContact CG-CD2 3.72Å
343L97.4Very high97.7Very high7 Ų730 Ų304%0.03716%0.155CC..Hα-helixtrans-60.3-50.1176.1-60-174.7000111.4I301 V304 M307 A311 Y314 A315 E339 T340 S345 K346 E347I301-L343 HydrophobicContact CB-CD2 4.28Å; I301-L343 HydrophobicContact CG2-CD2 3.59Å; V304-L343 HydrophobicContact CG2-CD2 3.89Å; M307-L343 HydrophobicContact CE-CD1 3.86Å; M307-L343 HydrophobicContact SD-CD1 4.21Å; A311-L343 HydrophobicContact CB-CD1 3.95Å; A311-L343 WeakPolarHBondContact O-CD1 3.46Å; Y314-L343 HydrophobicContact CD1-CB 3.8Å; Y314-L343 HydrophobicContact CD1-CD1 4.09Å; Y314-L343 HydrophobicContact CE1-CB 3.75Å; A315-L343 HydrophobicContact CB-CD1 4.2Å; E339-L343 WeakPolarHBondContact O-CG 3.39Å; E339-L343 PolarHBondContact O-N 3.29Å; E339-L343 VanDerWaalsContact O-N 3.11Å; T340-L343 WeakPolarHBondContact O-CB 3.49Å; T340-L343 PolarHBondContact O-N 2.74Å; L343-S345 VanDerWaalsContact C-N 3.26Å; L343-S345 PolarHBondContact O-N 2.88Å; L343-K346 PolarHBondContact O-N 2.94Å; L343-E347 WeakPolarHBondContact O-CG 3.07Å
344I97.8Very high97.7Very high0 Ų029.5 Ų29.50%015%0.151CC..Hα-helixtrans-59.2-41.3176.9-63.2166.6000109.9Y314 V330 L332 T340 A341 K346 E347 V352 L365 K368 F373Y314-I344 HydrophobicContact CD1-CG1 4.04Å; Y314-I344 HydrophobicContact CE1-CB 4.36Å; Y314-I344 HydrophobicContact CE1-CG1 3.45Å; Y314-I344 VanDerWaalsContact CE1-CG1 3.45Å; Y314-I344 HydrophobicContact CE2-CG1 4.11Å; Y314-I344 VanDerWaalsContact CZ-CG1 3.49Å; V330-I344 HydrophobicContact CG1-CD1 4.15Å; L332-I344 HydrophobicContact CD1-CD1 4.34Å; T340-I344 HydrophobicContact CG2-CD1 4.08Å; T340-I344 WeakPolarHBondContact O-CG1 3.26Å; T340-I344 PolarHBondContact O-N 3.2Å; A341-I344 PolarHBondContact O-N 2.63Å; I344-K346 VanDerWaalsContact C-N 3.3Å; I344-K346 PolarHBondContact O-N 2.71Å; I344-E347 PolarHBondContact O-N 3.14Å; I344-E347 VanDerWaalsContact O-N 3.1Å; I344-V352 HydrophobicContact CD1-CG2 4.25Å; I344-L365 HydrophobicContact CB-CD2 3.86Å; I344-L365 HydrophobicContact CG2-CD2 3.63Å; I344-K368 HydrophobicContact CG2-CD 4.13Å; I344-K368 WeakPolarHBondContact O-CE 3.5Å; I344-K368 PolarHBondContact O-NZ 2.82Å; I344-F373 HydrophobicContact CG2-CE1 4.29Å; I344-F373 HydrophobicContact CG2-CZ 3.95Å
345S96.6Very high97.7Very high39 Ų3928.9 Ų28.927%0.27315%0.149SC..Hα-helixtrans-58.4-37.5-176.680.80000113.6A341 Q342 L343 E347 K368A341-S345 VanDerWaalsContact O-CB 3.24Å; A341-S345 WeakPolarHBondContact O-CB 3.03Å; A341-S345 PolarHBondContact O-N 3.34Å; Q342-S345 PolarHBondContact O-N 3.17Å; Q342-S345 PolarHBondContact O-OG 2.69Å; L343-S345 VanDerWaalsContact C-N 3.26Å; L343-S345 PolarHBondContact O-N 2.88Å; S345-E347 VanDerWaalsContact C-N 3.28Å; S345-E347 PolarHBondContact O-N 2.91Å; S345-K368 PolarHBondContact O-NZ 3.28Å
346K94Very high97.7Very high80 Ų8024.2 Ų24.235%0.34813%0.127SC..Hα-helixtrans-73.1-15.6179.9-65.2177.7-176.3-176.50113.8D303 Q342 L343 I344D303-K346 VanDerWaalsContact CG-NZ 3.32Å; D303-K346 IonicContact OD1-NZ 2.73Å; D303-K346 PolarHBondContact OD1-NZ 2.9Å; D303-K346 IonicContact OD2-NZ 2.78Å; D303-K346 PolarHBondContact OD2-NZ 3.1Å; Q342-K346 WeakPolarHBondContact O-CG 3.44Å; Q342-K346 PolarHBondContact O-N 2.68Å; L343-K346 PolarHBondContact O-N 2.94Å; I344-K346 VanDerWaalsContact C-N 3.3Å; I344-K346 PolarHBondContact O-N 2.71Å
347E94.8Very high97.7Very high18 Ų1825.5 Ų25.58%0.08413%0.132CC..SBendtrans-108.4157.3-169.5-63.2-66.7145.500113.2R318 R322 L343 I344 S345 S349 K368 R496R318-E347 IonicContact CZ-OE2 3.68Å; R318-E347 IonicContact NE-OE2 2.77Å; R318-E347 PolarHBondContact NE-OE2 3.34Å; R318-E347 IonicContact NH2-OE2 3.66Å; R318-E347 PolarHBondContact NH2-OE2 3.46Å; R322-E347 IonicContact CZ-OE1 2.7Å; R322-E347 IonicContact NH2-OE1 2.81Å; R322-E347 PolarHBondContact NH2-OE1 3.42Å; R322-E347 IonicContact NH2-OE2 3.4Å; R322-E347 PolarHBondContact NH2-OE2 3Å; L343-E347 WeakPolarHBondContact O-CG 3.07Å; I344-E347 PolarHBondContact O-N 3.14Å; I344-E347 VanDerWaalsContact O-N 3.1Å; S345-E347 VanDerWaalsContact C-N 3.28Å; S345-E347 PolarHBondContact O-N 2.91Å; E347-S349 PolarHBondContact O-N 3.13Å; E347-K368 PolarHBondContact O-NZ 3.4Å; E347-R496 IonicContact OE1-CZ 3.82Å; E347-R496 VanDerWaalsContact OE1-CZ 3.26Å; E347-R496 IonicContact OE1-NE 3.65Å; E347-R496 PolarHBondContact OE1-NE 3.48Å; E347-R496 IonicContact OE1-NH2 3.23Å; E347-R496 PolarHBondContact OE1-NH2 3.02Å
348V95.8Very high97.7Very high61 Ų6128.2 Ų28.237%0.3714%0.144SC..  trans-81.5115.5169-1780000108.7R318 Y326 G327R318-V348 PolarHBondContact NH2-O 2.91Å; Y326-V348 HydrophobicContact CD1-CG1 4.4Å; Y326-V348 HydrophobicContact CD2-CB 4.02Å; Y326-V348 HydrophobicContact CD2-CG1 4.35Å; Y326-V348 HydrophobicContact CD2-CG2 4.35Å; Y326-V348 HydrophobicContact CE1-CG1 4Å; Y326-V348 HydrophobicContact CE2-CB 3.75Å; Y326-V348 HydrophobicContact CE2-CG1 3.94Å; Y326-V348 HydrophobicContact CE2-CG2 3.66Å; G327-V348 PolarHBondContact N-O 3.44Å
349S97.8Very high97.8Very high2 Ų229.7 Ų29.71%0.01416%0.16CC..EExtended strand (participates in β ladder)trans-144.1150.1-178.1-179.50000109D328 E347 G351 F373D328-S349 PolarHBondContact O-OG 2.88Å; D328-S349 WeakPolarHBondContact OD1-CA 3.49Å; D328-S349 WeakPolarHBondContact OD1-CB 3.31Å; D328-S349 PolarHBondContact OD1-OG 3.39Å; E347-S349 PolarHBondContact O-N 3.13Å; S349-G351 PolarHBondContact OG-O 3.46Å; S349-F373 WeakPolarHBondContact O-CE2 3.45Å
350D98.1Very high97.8Very high50 Ų5033.5 Ų33.527%0.26718%0.176SC..EExtended strand (participates in β ladder)trans-94.1-26.7-179-81-22.2000113.6D328 K369D328-D350 PolarHBondContact O-N 2.91Å; D350-K369 IonicContact OD1-NZ 3Å; D350-K369 PolarHBondContact OD1-NZ 3.36Å
351G98.7Very high97.8Very high0 Ų033.5 Ų33.50%018%0.176CC..EExtended strand (participates in β ladder)trans-177.8177.7174.400000113.8V330 S349 F373 C374V330-G351 PolarHBondContact N-O 3.16Å; S349-G351 PolarHBondContact OG-O 3.46Å; G351-F373 VanDerWaalsContact CA-CE2 3.47Å; G351-C374 CarbonylContact C-O 3.49Å; G351-C374 WeakPolarHBondContact CA-O 3.46Å
352V98.9Very high97.8Very high0 Ų034.8 Ų34.80%018%0.182CC..EExtended strand (participates in β ladder)trans-140.8143.1175.559.20000111.1V330 L332 I344 Y357 L365 F373 C374 I375 L376V330-V352 HydrophobicContact CB-CB 4.08Å; V330-V352 HydrophobicContact CB-CG2 3.94Å; V330-V352 HydrophobicContact CG1-CG2 4.07Å; V330-V352 CarbonylContact O-C 3.6Å; V330-V352 WeakPolarHBondContact O-CA 3.45Å; L332-V352 HydrophobicContact CD1-CG2 3.91Å; L332-V352 HydrophobicContact CG-CG2 4.21Å; I344-V352 HydrophobicContact CD1-CG2 4.25Å; V352-Y357 HydrophobicContact CG1-CE1 3.91Å; V352-Y357 HydrophobicContact CG2-CE1 4.35Å; V352-Y357 PolarHBondContact O-OH 3.47Å; V352-L365 HydrophobicContact CG1-CD1 4.13Å; V352-F373 HydrophobicContact CB-CE1 4.4Å; V352-F373 HydrophobicContact CB-CZ 4.42Å; V352-F373 HydrophobicContact CG1-CE1 3.73Å; V352-F373 HydrophobicContact CG1-CZ 4.23Å; V352-C374 PolarHBondContact N-O 3.42Å; V352-I375 HydrophobicContact CG1-CG1 4.29Å; V352-I375 HydrophobicContact CG1-CG2 4.25Å; V352-L376 PolarHBondContact O-N 3.41Å
353I98.9Very high97.9Very high0 Ų036.5 Ų36.50%019%0.191CC..EExtended strand (participates in β ladder)trans-122133.5170-172162000110.4A255 W259 F329 V330 A331 L332 L376 I378A255-I353 HydrophobicContact CB-CB 4.37Å; A255-I353 HydrophobicContact CB-CD1 3.97Å; A255-I353 HydrophobicContact CB-CG2 4.23Å; W259-I353 HydrophobicContact CB-CD1 4.31Å; W259-I353 HydrophobicContact CB-CG2 4.41Å; F329-I353 HydrophobicContact CD1-CG2 4.39Å; F329-I353 HydrophobicContact CE1-CB 3.91Å; F329-I353 HydrophobicContact CE1-CG2 3.93Å; V330-I353 PolarHBondContact O-N 3.32Å; A331-I353 WeakPolarHBondContact CA-O 3.29Å; A331-I353 HydrophobicContact CB-CG2 3.71Å; L332-I353 PolarHBondContact N-O 3.31Å; I353-L376 WeakPolarHBondContact CA-O 3.09Å; I353-L376 HydrophobicContact CB-CB 4.04Å; I353-L376 HydrophobicContact CD1-CB 4.17Å; I353-L376 HydrophobicContact CD1-CD1 4.3Å; I353-L376 HydrophobicContact CG1-CB 3.93Å; I353-I378 HydrophobicContact CD1-CB 3.97Å; I353-I378 HydrophobicContact CD1-CD1 3.79Å; I353-I378 HydrophobicContact CD1-CG2 4.24Å; I353-I378 HydrophobicContact CG1-CB 3.96Å; I353-I378 HydrophobicContact CG1-CG2 3.81Å
354A98.9Very high97.9Very high0 Ų037.8 Ų37.80%020%0.197CC..EExtended strand (participates in β ladder)trans-154160-179.700000110.7L332 C336 G356 Y357 L376 H377 I378L332-A354 HydrophobicContact CB-CB 4.01Å; L332-A354 HydrophobicContact CD1-CB 4.36Å; C336-A354 HydrophobicContact CB-CB 4.48Å; A354-G356 PolarHBondContact O-N 2.91Å; A354-Y357 HydrophobicContact CB-CE1 4.09Å; A354-Y357 HydrophobicContact CB-CE2 4.02Å; A354-Y357 PolarHBondContact N-OH 3.31Å; A354-L376 PolarHBondContact N-O 2.83Å; A354-L376 VanDerWaalsContact N-O 3.13Å; A354-H377 WeakPolarHBondContact O-CA 3.48Å; A354-I378 PolarHBondContact O-N 2.76Å
355P98.7Very high98Very high28 Ų2837.8 Ų37.818%0.18220%0.197CC..SBendtrans-74.81.7175.934.6-38.7000113.3W259 L332 D334 H377 I378 A380W259-P355 HydrophobicContact CH2-CB 4.16Å; W259-P355 HydrophobicContact CH2-CG 4.4Å; W259-P355 HydrophobicContact CZ3-CG 4.46Å; L332-P355 VanDerWaalsContact O-CD 3.32Å; L332-P355 WeakPolarHBondContact O-CD 3.37Å; D334-P355 WeakPolarHBondContact O-CD 3.34Å; P355-H377 VanDerWaalsContact C-CD2 3.47Å; P355-H377 PolarHBondContact O-CD2 3.33Å; P355-H377 PolarHBondContact O-NE2 3.19Å; P355-I378 WeakPolarHBondContact CA-O 3.38Å; P355-A380 HydrophobicContact CB-CB 3.99Å
356G98.8Very high98Very high9 Ų941 Ų419%0.09320%0.204CC..  trans169.4169.9177.400000111.9I335 C336 A354I335-G356 WeakPolarHBondContact CA-O 3.15Å; C336-G356 PolarHBondContact N-O 3.26Å; A354-G356 PolarHBondContact O-N 2.91Å
357Y98.8Very high98.2Very high28 Ų2845 Ų4511%0.1122%0.216CC..BIsolated β-bridgetrans-139.8131.3179.3-62.2-95.4000110.1L243 C336 V352 A354 L365 I375 L376L243-Y357 HydrophobicContact CD1-CD2 3.58Å; L243-Y357 HydrophobicContact CD1-CE2 3.92Å; C336-Y357 HydrophobicContact CB-CD1 3.42Å; C336-Y357 VanDerWaalsContact CB-CD1 3.42Å; C336-Y357 HydrophobicContact CB-CE1 3.75Å; C336-Y357 HydrophobicContact CB-CG 4.21Å; V352-Y357 HydrophobicContact CG1-CE1 3.91Å; V352-Y357 HydrophobicContact CG2-CE1 4.35Å; V352-Y357 PolarHBondContact O-OH 3.47Å; A354-Y357 HydrophobicContact CB-CE1 4.09Å; A354-Y357 HydrophobicContact CB-CE2 4.02Å; A354-Y357 PolarHBondContact N-OH 3.31Å; Y357-L365 HydrophobicContact CD1-CD1 4.02Å; Y357-L365 HydrophobicContact CE1-CD1 4Å; Y357-I375 HydrophobicContact CD1-CG2 4.23Å; Y357-I375 HydrophobicContact CD2-CG2 4.17Å; Y357-I375 HydrophobicContact CE1-CG2 3.71Å; Y357-I375 HydrophobicContact CE2-CG2 3.63Å; Y357-I375 HydrophobicContact CG-CG2 4.46Å; Y357-L376 WeakPolarHBondContact CE2-O 3.22Å; Y357-L376 PolarHBondContact OH-O 3.29Å
358H98.6Very high98.4Very high87 Ų8745.3 Ų45.340%0.40322%0.217SC..  trans-61.1142.5167.7-176.6-92.9000109.6C336 K360 A361 L362C336-H358 WeakPolarHBondContact O-CB 3.39Å; C336-H358 PolarHBondContact O-N 3.05Å; H358-K360 VanDerWaalsContact C-N 3.31Å; H358-K360 PolarHBondContact ND1-N 3.17Å; H358-K360 PolarHBondContact O-N 3.36Å; H358-A361 HydrophobicContact CB-CB 4.11Å; H358-A361 WeakPolarHBondContact O-CA 3.25Å; H358-A361 VanDerWaalsContact O-CB 3.28Å; H358-A361 WeakPolarHBondContact O-CB 3.33Å; H358-A361 PolarHBondContact O-N 2.79Å; H358-L362 PolarHBondContact O-N 2.89Å
359P98.5Very high98.4Very high98 Ų9847.3 Ų47.364%0.63622%0.221SC*.Hα-helixtrans-52.9-43.1-174.9-3136.4000114.6A361 L362 E363P359-A361 PolarHBondContact O-N 2.99Å; P359-L362 PolarHBondContact O-N 2.88Å; P359-E363 PolarHBondContact O-N 3.15Å
360K98.2Very high98.4Very high128 Ų12857.7 Ų57.756%0.55727%0.266SS*.Hα-helixtrans-65.8-36.2176.3-64.1-176.7178.9178.30112.8F338 H358 L364F338-K360 HydrophobicContact CD2-CB 3.61Å; F338-K360 HydrophobicContact CE2-CB 4.11Å; F338-K360 HydrophobicContact CG-CB 4.28Å; H358-K360 VanDerWaalsContact C-N 3.31Å; H358-K360 PolarHBondContact ND1-N 3.17Å; H358-K360 PolarHBondContact O-N 3.36Å; K360-L364 WeakPolarHBondContact O-CB 3.49Å; K360-L364 PolarHBondContact O-N 3.16Å; K360-L364 VanDerWaalsContact O-N 3.08Å
361A98.5Very high98.3Very high0 Ų057 Ų570%027%0.271CS..Hα-helixtrans-66-47.2177.600000110.3C336 D337 A341 H358 P359 E363 L364 L365C336-A361 VanDerWaalsContact O-CB 3.27Å; C336-A361 WeakPolarHBondContact O-CB 3.08Å; D337-A361 VanDerWaalsContact O-CB 3.29Å; D337-A361 WeakPolarHBondContact O-CB 3.29Å; A341-A361 HydrophobicContact CB-CB 3.66Å; H358-A361 HydrophobicContact CB-CB 4.11Å; H358-A361 WeakPolarHBondContact O-CA 3.25Å; H358-A361 VanDerWaalsContact O-CB 3.28Å; H358-A361 WeakPolarHBondContact O-CB 3.33Å; H358-A361 PolarHBondContact O-N 2.79Å; P359-A361 PolarHBondContact O-N 2.99Å; A361-E363 PolarHBondContact O-N 3.02Å; A361-L364 PolarHBondContact O-N 3.5Å; A361-L365 WeakPolarHBondContact O-CB 3.5Å; A361-L365 VanDerWaalsContact O-CG 3.27Å; A361-L365 WeakPolarHBondContact O-CG 3.42Å; A361-L365 PolarHBondContact O-N 3.18Å
362L98.7Very high98.3Very high27 Ų2760.5 Ų60.514%0.14130%0.295CS..Hα-helixtrans-59.7-47176.8-178.159.6000111.8L243 H358 P359 L364 L365 R366 I375L243-L362 HydrophobicContact CB-CD1 4.26Å; L243-L362 HydrophobicContact CD1-CD1 4.13Å; L243-L362 HydrophobicContact CD1-CD2 4.49Å; H358-L362 PolarHBondContact O-N 2.89Å; P359-L362 PolarHBondContact O-N 2.88Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.39Å; L362-L365 PolarHBondContact O-N 2.7Å; L362-R366 HydrophobicContact CD1-CG 4.4Å; L362-R366 WeakPolarHBondContact O-CB 3.41Å; L362-R366 VanDerWaalsContact O-CG 3.28Å; L362-R366 WeakPolarHBondContact O-CG 3.24Å; L362-R366 PolarHBondContact O-N 3.2Å; L362-I375 HydrophobicContact CD1-CD1 3.86Å; L362-I375 HydrophobicContact CD1-CG2 4Å
363E98.6Very high98.2Very high105 Ų10560.5 Ų60.549%0.49130%0.295SS..Hα-helixtrans-59.8-43.9178.2-168.7-170161.600112.1P359 A361 R367P359-E363 PolarHBondContact O-N 3.15Å; A361-E363 PolarHBondContact O-N 3.02Å; E363-R367 IonicContact OE1-CZ 3.97Å; E363-R367 IonicContact OE1-NH2 3.32Å; E363-R367 PolarHBondContact OE1-NH2 3.31Å
364L98.5Very high98.2Very high34 Ų3460.7 Ų60.718%0.17830%0.297CS..Hα-helixtrans-63.2-47.8178.2179.359.6000111.7F338 A341 Q342 K360 A361 L362 R366 R367F338-L364 HydrophobicContact CD2-CD2 4.4Å; F338-L364 HydrophobicContact CE2-CB 4.38Å; F338-L364 HydrophobicContact CE2-CD2 3.9Å; F338-L364 HydrophobicContact CZ-CD2 4.46Å; A341-L364 HydrophobicContact CB-CD2 4.21Å; Q342-L364 HydrophobicContact CB-CD2 4.34Å; Q342-L364 HydrophobicContact CG-CD2 3.72Å; K360-L364 WeakPolarHBondContact O-CB 3.49Å; K360-L364 PolarHBondContact O-N 3.16Å; K360-L364 VanDerWaalsContact O-N 3.08Å; A361-L364 PolarHBondContact O-N 3.5Å; L362-L364 VanDerWaalsContact C-N 3.34Å; L362-L364 PolarHBondContact O-N 3.39Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 2.9Å; L364-R367 WeakPolarHBondContact O-CB 3.41Å; L364-R367 PolarHBondContact O-N 3.4Å
365L98.7Very high98.2Very high0 Ų060.7 Ų60.70%030%0.297CS..Hα-helixtrans-65.5-35.3-178.5-68.3173.6000112.4A341 I344 V352 Y357 A361 L362 R367 K368 F373 I375A341-L365 HydrophobicContact CB-CD1 4.1Å; A341-L365 HydrophobicContact CB-CD2 4.11Å; A341-L365 HydrophobicContact CB-CG 3.86Å; I344-L365 HydrophobicContact CB-CD2 3.86Å; I344-L365 HydrophobicContact CG2-CD2 3.63Å; V352-L365 HydrophobicContact CG1-CD1 4.13Å; Y357-L365 HydrophobicContact CD1-CD1 4.02Å; Y357-L365 HydrophobicContact CE1-CD1 4Å; A361-L365 WeakPolarHBondContact O-CB 3.5Å; A361-L365 VanDerWaalsContact O-CG 3.27Å; A361-L365 WeakPolarHBondContact O-CG 3.42Å; A361-L365 PolarHBondContact O-N 3.18Å; L362-L365 PolarHBondContact O-N 2.7Å; L365-R367 PolarHBondContact O-N 3.13Å; L365-R367 VanDerWaalsContact O-N 3.15Å; L365-K368 HydrophobicContact CD2-CD 3.97Å; L365-K368 WeakPolarHBondContact O-CB 3.38Å; L365-K368 PolarHBondContact O-N 3.4Å; L365-F373 HydrophobicContact CB-CD1 4.27Å; L365-F373 HydrophobicContact CB-CE1 4.37Å; L365-F373 HydrophobicContact CD2-CE1 4.08Å; L365-I375 HydrophobicContact CB-CD1 3.58Å; L365-I375 HydrophobicContact CB-CG1 4.41Å
366R98.5Very high98.2Very high107 Ų10759.4 Ų59.440%0.40429%0.288SS..Hα-helixtrans-56.7-29.2175.4-80.5179.6167.8156.4-0.3112.9L243 N244 L362 L364 K368 G371 I375L243-R366 PolarHBondContact O-NH2 3.1Å; L243-R366 VanDerWaalsContact O-NH2 3.12Å; N244-R366 HydrophobicContact CB-CG 3.97Å; L362-R366 HydrophobicContact CD1-CG 4.4Å; L362-R366 WeakPolarHBondContact O-CB 3.41Å; L362-R366 VanDerWaalsContact O-CG 3.28Å; L362-R366 WeakPolarHBondContact O-CG 3.24Å; L362-R366 PolarHBondContact O-N 3.2Å; L364-R366 VanDerWaalsContact C-N 3.33Å; L364-R366 PolarHBondContact O-N 2.9Å; R366-K368 VanDerWaalsContact C-N 3.31Å; R366-K368 PolarHBondContact O-N 3.19Å; R366-G371 WeakPolarHBondContact O-CA 3.43Å; R366-I375 HydrophobicContact CG-CD1 4.03Å
367R98.1Very high98.2Very high162 Ų16262.5 Ų62.561%0.61130%0.3SS*.THydrogen-bonded Turntrans-74-19.9-179.5-60.9170.6-175.2-171.50.3113E363 L364 L365E363-R367 IonicContact OE1-CZ 3.97Å; E363-R367 IonicContact OE1-NH2 3.32Å; E363-R367 PolarHBondContact OE1-NH2 3.31Å; L364-R367 WeakPolarHBondContact O-CB 3.41Å; L364-R367 PolarHBondContact O-N 3.4Å; L365-R367 PolarHBondContact O-N 3.13Å; L365-R367 VanDerWaalsContact O-N 3.15Å
368K97.9Very high98.2Very high25 Ų2561.3 Ų61.311%0.10930%0.296CS..G310 helixtrans-63.6153.5179.7-67.7-18070.4680111.5I344 S345 E347 L365 R366 K370 G371 S372 F373I344-K368 HydrophobicContact CG2-CD 4.13Å; I344-K368 WeakPolarHBondContact O-CE 3.5Å; I344-K368 PolarHBondContact O-NZ 2.82Å; S345-K368 PolarHBondContact O-NZ 3.28Å; E347-K368 PolarHBondContact O-NZ 3.4Å; L365-K368 HydrophobicContact CD2-CD 3.97Å; L365-K368 WeakPolarHBondContact O-CB 3.38Å; L365-K368 PolarHBondContact O-N 3.4Å; R366-K368 VanDerWaalsContact C-N 3.31Å; R366-K368 PolarHBondContact O-N 3.19Å; K368-K370 PolarHBondContact O-N 3.07Å; K368-K370 VanDerWaalsContact O-N 3.16Å; K368-G371 PolarHBondContact O-N 3.12Å; K368-S372 PolarHBondContact O-N 3.34Å; K368-F373 HydrophobicContact CB-CB 3.55Å; K368-F373 HydrophobicContact CB-CD1 4.15Å; K368-F373 HydrophobicContact CB-CD2 4.16Å; K368-F373 HydrophobicContact CB-CG 3.71Å; K368-F373 HydrophobicContact CD-CD1 3.87Å; K368-F373 HydrophobicContact CD-CD2 4.23Å; K368-F373 HydrophobicContact CD-CE1 3.9Å; K368-F373 HydrophobicContact CD-CE2 4.26Å; K368-F373 HydrophobicContact CD-CG 4.04Å; K368-F373 HydrophobicContact CD-CZ 4.1Å; K368-F373 PolarHBondContact O-N 3.44Å
369K96.4Very high98.1Very high104 Ų10460.9 Ų60.945%0.45230%0.297SS..G310 helixtrans47.443.4-178.8-55.6-173.983.61680112.3D350 G371 S372 F373D350-K369 IonicContact OD1-NZ 3Å; D350-K369 PolarHBondContact OD1-NZ 3.36Å; K369-G371 VanDerWaalsContact C-N 3.29Å; K369-G371 PolarHBondContact O-N 3.08Å; K369-S372 WeakPolarHBondContact CB-OG 3.49Å; K369-S372 WeakPolarHBondContact O-CB 3.47Å; K369-S372 PolarHBondContact O-N 2.93Å; K369-S372 VanDerWaalsContact O-N 3.1Å; K369-S372 PolarHBondContact O-OG 3.13Å; K369-F373 HydrophobicContact CB-CB 4.42Å; K369-F373 HydrophobicContact CD-CD2 4.07Å; K369-F373 HydrophobicContact CG-CB 4.44Å; K369-F373 HydrophobicContact CG-CD2 4.32Å
370K96.4Very high98.1Very high219 Ų21958.4 Ų58.495%0.95228%0.284SS*.G310 helixtrans53.540.9-179.5-56178.7178.8-179.90113.2K368K368-K370 PolarHBondContact O-N 3.07Å; K368-K370 VanDerWaalsContact O-N 3.16Å
371G97.4Very high98Very high37 Ų3759.1 Ų59.138%0.38129%0.294SS..G310 helixtrans96.4-14-179.100000115.1N244 R366 K368 K369N244-G371 PolarHBondContact ND2-O 2.84Å; R366-G371 WeakPolarHBondContact O-CA 3.43Å; K368-G371 PolarHBondContact O-N 3.12Å; K369-G371 VanDerWaalsContact C-N 3.29Å; K369-G371 PolarHBondContact O-N 3.08Å
372S97.6Very high97.8Very high72 Ų7263.2 Ų63.250%0.50331%0.31SS..THydrogen-bonded Turntrans-98.64-168.468.90000115.4K368 K369 C374K368-S372 PolarHBondContact O-N 3.34Å; K369-S372 WeakPolarHBondContact CB-OG 3.49Å; K369-S372 WeakPolarHBondContact O-CB 3.47Å; K369-S372 PolarHBondContact O-N 2.93Å; K369-S372 VanDerWaalsContact O-N 3.1Å; K369-S372 PolarHBondContact O-OG 3.13Å; S372-C374 PolarHBondContact O-N 3.21Å
373F98.6Very high97.5Very high0 Ų067.4 Ų67.40%034%0.337CS..  trans-61.2131.1-178.8-176-114.5000111.7N244 I344 S349 G351 V352 L365 K368 K369 I375N244-F373 CarbonylContact C-O 3.57Å; N244-F373 PolarHBondContact ND2-O 3.11Å; I344-F373 HydrophobicContact CG2-CE1 4.29Å; I344-F373 HydrophobicContact CG2-CZ 3.95Å; S349-F373 WeakPolarHBondContact O-CE2 3.45Å; G351-F373 VanDerWaalsContact CA-CE2 3.47Å; V352-F373 HydrophobicContact CB-CE1 4.4Å; V352-F373 HydrophobicContact CB-CZ 4.42Å; V352-F373 HydrophobicContact CG1-CE1 3.73Å; V352-F373 HydrophobicContact CG1-CZ 4.23Å; L365-F373 HydrophobicContact CB-CD1 4.27Å; L365-F373 HydrophobicContact CB-CE1 4.37Å; L365-F373 HydrophobicContact CD2-CE1 4.08Å; K368-F373 HydrophobicContact CB-CB 3.55Å; K368-F373 HydrophobicContact CB-CD1 4.15Å; K368-F373 HydrophobicContact CB-CD2 4.16Å; K368-F373 HydrophobicContact CB-CG 3.71Å; K368-F373 HydrophobicContact CD-CD1 3.87Å; K368-F373 HydrophobicContact CD-CD2 4.23Å; K368-F373 HydrophobicContact CD-CE1 3.9Å; K368-F373 HydrophobicContact CD-CE2 4.26Å; K368-F373 HydrophobicContact CD-CG 4.04Å; K368-F373 HydrophobicContact CD-CZ 4.1Å; K368-F373 PolarHBondContact O-N 3.44Å; K369-F373 HydrophobicContact CB-CB 4.42Å; K369-F373 HydrophobicContact CD-CD2 4.07Å; K369-F373 HydrophobicContact CG-CB 4.44Å; K369-F373 HydrophobicContact CG-CD2 4.32Å; F373-I375 HydrophobicContact CD1-CD1 4.34Å; F373-I375 HydrophobicContact CD1-CG1 3.86Å; F373-I375 HydrophobicContact CE1-CG1 4.3Å; F373-I375 PolarHBondContact O-N 3.15Å
374C98.5Very high97.3Very high4 Ų464.3 Ų64.33%0.02733%0.326CS..EExtended strand (participates in β ladder)trans-77.8123.1-175-175.20000110.6N244 G351 V352 S372N244-C374 WeakPolarHBondContact O-CA 3.45Å; G351-C374 CarbonylContact C-O 3.49Å; G351-C374 WeakPolarHBondContact CA-O 3.46Å; V352-C374 PolarHBondContact N-O 3.42Å; S372-C374 PolarHBondContact O-N 3.21Å
375I98.8Very high97.1Very high0 Ų065.3 Ų65.30%033%0.331CS..EExtended strand (participates in β ladder)trans-126.7117.5179.6-54.4176.5000108L243 N244 V352 Y357 L362 L365 R366 F373L243-I375 HydrophobicContact CB-CB 4.27Å; L243-I375 HydrophobicContact CB-CG2 4.08Å; L243-I375 HydrophobicContact CD1-CG2 4.31Å; L243-I375 PolarHBondContact N-O 3.22Å; N244-I375 HydrophobicContact CB-CB 4.02Å; N244-I375 HydrophobicContact CB-CD1 3.73Å; N244-I375 HydrophobicContact CB-CG1 3.9Å; N244-I375 PolarHBondContact O-N 3.13Å; V352-I375 HydrophobicContact CG1-CG1 4.29Å; V352-I375 HydrophobicContact CG1-CG2 4.25Å; Y357-I375 HydrophobicContact CD1-CG2 4.23Å; Y357-I375 HydrophobicContact CD2-CG2 4.17Å; Y357-I375 HydrophobicContact CE1-CG2 3.71Å; Y357-I375 HydrophobicContact CE2-CG2 3.63Å; Y357-I375 HydrophobicContact CG-CG2 4.46Å; L362-I375 HydrophobicContact CD1-CD1 3.86Å; L362-I375 HydrophobicContact CD1-CG2 4Å; L365-I375 HydrophobicContact CB-CD1 3.58Å; L365-I375 HydrophobicContact CB-CG1 4.41Å; R366-I375 HydrophobicContact CG-CD1 4.03Å; F373-I375 HydrophobicContact CD1-CD1 4.34Å; F373-I375 HydrophobicContact CD1-CG1 3.86Å; F373-I375 HydrophobicContact CE1-CG1 4.3Å; F373-I375 PolarHBondContact O-N 3.15Å
376L98.7Very high96.9Very high1 Ų171.3 Ų71.31%0.00536%0.359CS..EExtended strand (participates in β ladder)trans-113.5128.8-177.2-56.6-177000110.8F240 A241 V242 P247 I252 A255 F329 V352 I353 A354 Y357F240-L376 HydrophobicContact CD2-CD2 4.39Å; A241-L376 WeakPolarHBondContact O-CA 3.49Å; V242-L376 HydrophobicContact CB-CD2 4.39Å; V242-L376 HydrophobicContact CG2-CD2 3.87Å; P247-L376 HydrophobicContact CG-CD2 4.31Å; I252-L376 HydrophobicContact CD1-CD1 4.28Å; A255-L376 HydrophobicContact CB-CD1 3.81Å; F329-L376 HydrophobicContact CE1-CD1 4.34Å; F329-L376 HydrophobicContact CZ-CD1 3.71Å; F329-L376 HydrophobicContact CZ-CG 4.14Å; V352-L376 PolarHBondContact O-N 3.41Å; I353-L376 WeakPolarHBondContact CA-O 3.09Å; I353-L376 HydrophobicContact CB-CB 4.04Å; I353-L376 HydrophobicContact CD1-CB 4.17Å; I353-L376 HydrophobicContact CD1-CD1 4.3Å; I353-L376 HydrophobicContact CG1-CB 3.93Å; A354-L376 PolarHBondContact N-O 2.83Å; A354-L376 VanDerWaalsContact N-O 3.13Å; Y357-L376 WeakPolarHBondContact CE2-O 3.22Å; Y357-L376 PolarHBondContact OH-O 3.29Å
377H98.6Very high96.8Very high75 Ų7570.7 Ų70.735%0.34736%0.363SS..EExtended strand (participates in β ladder)trans-102116.4172175.9-164.6000108.9F240 A241 L243 A354 P355F240-H377 CarbonylContact C-O 3.55Å; F240-H377 WeakPolarHBondContact CA-O 3.36Å; F240-H377 WeakPolarHBondContact CB-O 3.16Å; A241-H377 PolarHBondContact N-O 3.41Å; A241-H377 PolarHBondContact O-N 3.5Å; L243-H377 HydrophobicContact CD1-CB 3.78Å; L243-H377 HydrophobicContact CD2-CB 4.09Å; L243-H377 HydrophobicContact CG-CB 3.8Å; A354-H377 WeakPolarHBondContact O-CA 3.48Å; P355-H377 VanDerWaalsContact C-CD2 3.47Å; P355-H377 PolarHBondContact O-CD2 3.33Å; P355-H377 PolarHBondContact O-NE2 3.19Å
378I98.5Very high96.6Very high2 Ų267 Ų671%0.0135%0.353CS..EExtended strand (participates in β ladder)trans-102.8141.9-179.7-173.1146.9000111.6P239 F240 W259 I353 A354 P355 A380P239-I378 WeakPolarHBondContact O-CA 3.07Å; P239-I378 WeakPolarHBondContact O-CG1 3.38Å; F240-I378 HydrophobicContact CB-CB 4.23Å; F240-I378 HydrophobicContact CB-CG1 4.44Å; W259-I378 HydrophobicContact CB-CD1 4.24Å; W259-I378 HydrophobicContact CD2-CD1 3.95Å; W259-I378 HydrophobicContact CD2-CG1 4.3Å; W259-I378 HydrophobicContact CD2-CG2 3.61Å; W259-I378 HydrophobicContact CE3-CG2 3.59Å; W259-I378 HydrophobicContact CG-CD1 3.53Å; W259-I378 HydrophobicContact CG-CG1 4.39Å; W259-I378 HydrophobicContact CG-CG2 4.32Å; W259-I378 HydrophobicContact CH2-CG2 3.87Å; W259-I378 HydrophobicContact CZ2-CG2 3.9Å; W259-I378 HydrophobicContact CZ3-CG2 3.73Å; I353-I378 HydrophobicContact CD1-CB 3.97Å; I353-I378 HydrophobicContact CD1-CD1 3.79Å; I353-I378 HydrophobicContact CD1-CG2 4.24Å; I353-I378 HydrophobicContact CG1-CB 3.96Å; I353-I378 HydrophobicContact CG1-CG2 3.81Å; A354-I378 PolarHBondContact O-N 2.76Å; P355-I378 WeakPolarHBondContact CA-O 3.38Å; I378-A380 PolarHBondContact O-N 2.91Å
379D97.6Very high96.5Very high79 Ų7971 Ų7142%0.42238%0.375SS..  trans-68.7115.3168.4-178.3-2.2000109.3P239 D381 Y382P239-D379 PolarHBondContact O-N 3.16Å; D379-D381 PolarHBondContact O-N 3.07Å; D379-D381 PolarHBondContact OD1-N 2.71Å; D379-Y382 WeakPolarHBondContact O-CB 3.3Å; D379-Y382 PolarHBondContact O-N 3.48Å
380A97.4Very high96.5Very high46 Ų4670.8 Ų70.838%0.3837%0.372SS..THydrogen-bonded Turntrans-68-24.4-176.900000113.3W259 P355 I378W259-A380 HydrophobicContact CH2-CB 4.3Å; W259-A380 HydrophobicContact CZ2-CB 4.33Å; P355-A380 HydrophobicContact CB-CB 3.99Å; I378-A380 PolarHBondContact O-N 2.91Å
381D95.5Very high96.5Very high143 Ų14364.5 Ų64.577%0.76535%0.351SS*.THydrogen-bonded Turntrans-92-4.9-176.8-63.8-37.7000112.3D379 V383D379-D381 PolarHBondContact O-N 3.07Å; D379-D381 PolarHBondContact OD1-N 2.71Å; D381-V383 PolarHBondContact O-N 2.87Å
382Y94.7Very high96.6Very high86 Ų8666.3 Ų66.334%0.33736%0.355SS..  trans-63126.7177.3171.4-104.4000111.8P239 D379 P384P239-Y382 HydrophobicContact CB-CD1 3.55Å; P239-Y382 HydrophobicContact CB-CD2 3.53Å; P239-Y382 HydrophobicContact CB-CE1 3.97Å; P239-Y382 HydrophobicContact CB-CE2 3.94Å; P239-Y382 HydrophobicContact CB-CG 3.3Å; P239-Y382 HydrophobicContact CG-CD1 3.85Å; P239-Y382 HydrophobicContact CG-CD2 4.23Å; P239-Y382 HydrophobicContact CG-CE1 3.78Å; P239-Y382 HydrophobicContact CG-CE2 4.15Å; P239-Y382 HydrophobicContact CG-CG 4.07Å; D379-Y382 WeakPolarHBondContact O-CB 3.3Å; D379-Y382 PolarHBondContact O-N 3.48Å; Y382-P384 HydrophobicContact CE1-CB 3.98Å
383V93.3Very high96.5Very high115 Ų11572.5 Ų72.570%0.69737%0.373SS*.  trans-116.6121.7172.1-177.20000108.6D381D381-V383 PolarHBondContact O-N 2.87Å
384P93.9Very high96.4Very high40 Ų4075.7 Ų75.726%0.2641%0.406SS..  trans-69.7155.6176.630-35.4000111.9Y382Y382-P384 HydrophobicContact CE1-CB 3.98Å
385D93.6Very high96.3Very high54 Ų5480.6 Ų80.629%0.28943%0.431SS..  trans-57.9148.4171.5-73.1-36000110.8S232 R234 L387 R401S232-D385 WeakPolarHBondContact CB-OD2 3.14Å; S232-D385 PolarHBondContact OG-OD2 3.35Å; R234-D385 IonicContact NH2-OD1 3.78Å; R234-D385 PolarHBondContact NH2-OD1 3.02Å; D385-L387 VanDerWaalsContact C-N 3.27Å; D385-L387 PolarHBondContact O-N 2.96Å; D385-R401 WeakPolarHBondContact O-CD 3.46Å
386E95Very high96.2Very high127 Ų12785.5 Ų85.559%0.59346%0.457SS*.SBendtrans-68.2-24.4-174.7-64.9-170161.100114.3Q400 R401E386-Q400 CarbonylContact O-C 3.53Å; E386-Q400 WeakPolarHBondContact O-CA 3.49Å; E386-R401 PolarHBondContact O-N 2.75Å
387L95.7Very high96.1Very high93 Ų9389.7 Ų89.749%0.48748%0.477SS..EExtended strand (participates in β ladder)trans-102.1132.8-179.7-61.4175.9000109.9D385 K398 Q399 Q400D385-L387 VanDerWaalsContact C-N 3.27Å; D385-L387 PolarHBondContact O-N 2.96Å; L387-K398 HydrophobicContact CD1-CD 4.49Å; L387-K398 VanDerWaalsContact CD1-CE 3.48Å; L387-Q399 WeakPolarHBondContact CA-O 3.43Å; L387-Q400 HydrophobicContact CD2-CB 4.47Å
388E95.6Very high96Very high86 Ų8693 Ų9340%0.40249%0.491SS..EExtended strand (participates in β ladder)trans-113.2153.3172.261.6-178.9-143.300111K398 Q399 R401E388-K398 WeakPolarHBondContact O-CA 3.28Å; E388-Q399 HydrophobicContact CG-CG 3.69Å; E388-Q399 PolarHBondContact N-O 3.22Å; E388-Q399 PolarHBondContact O-N 2.94Å; E388-Q399 PolarHBondContact OE1-NE2 2.68Å; E388-R401 HydrophobicContact CG-CB 4.43Å
389L95.4Very high96Very high109 Ų10997.7 Ų97.757%0.57151%0.513SS*.EExtended strand (participates in β ladder)trans-125.5133.4179.8-172.878.2000109.1N396 M397 K398L389-N396 HydrophobicContact CD1-CB 4.13Å; L389-M397 WeakPolarHBondContact CA-O 3.28Å; L389-K398 HydrophobicContact CD1-CB 3.92Å; L389-K398 HydrophobicContact CD1-CG 4.27Å
390R96.5Very high96Very high99 Ų99100 Ų10037%0.37452%0.521SS..EExtended strand (participates in β ladder)trans-129.4136.4172.4177.9173.454.1-163.2-9.6110.1V392 M397 H601R390-V392 HydrophobicContact CG-CG2 3.98Å; R390-M397 PolarHBondContact N-O 3.28Å; R390-M397 PolarHBondContact O-N 2.89Å; R390-H601 VanDerWaalsContact NH1-C 3.32Å; R390-H601 PolarHBondContact NH1-O 2.97Å
391T96.8Very high96Very high86 Ų8699.7 Ų99.753%0.52851%0.51SS..EExtended strand (participates in β ladder)trans-100.2125.3173.2-500000109.9I395 N396T391-I395 CarbonylContact C-O 3.47Å; T391-I395 WeakPolarHBondContact CA-O 3.41Å; T391-N396 PolarHBondContact OG1-OD1 3.38Å
392V97.7Very high96.1Very high76 Ų7695.6 Ų95.646%0.46149%0.488SS..EExtended strand (participates in β ladder)trans-132.3125.3173.8-178.40000108.3R390 G394 I395 M397R390-V392 HydrophobicContact CG-CG2 3.98Å; V392-G394 PolarHBondContact O-N 2.88Å; V392-I395 PolarHBondContact N-O 3.24Å; V392-I395 WeakPolarHBondContact O-CB 3.44Å; V392-I395 PolarHBondContact O-N 3.49Å; V392-M397 HydrophobicContact CB-CE 3.79Å; V392-M397 HydrophobicContact CG2-CE 3.37Å
393F97.4Very high96.2Very high202 Ų20293.8 Ų93.889%0.88649%0.485SS*.THydrogen-bonded Turntrans51.240.2-178.4-168.7-118.6000113.6I395F393-I395 PolarHBondContact O-N 2.91Å
394G95Very high96.3Very high66 Ų6689.7 Ų89.768%0.6846%0.463SS*.THydrogen-bonded Turntrans74.3-2-177.100000115.1V392V392-G394 PolarHBondContact O-N 2.88Å
395I97.2Very high96.4Very high108 Ų10894 Ų9455%0.55448%0.48SS*.EExtended strand (participates in β ladder)trans-96.9129.4177.8-52.2-56.8000110T391 V392 F393T391-I395 CarbonylContact C-O 3.47Å; T391-I395 WeakPolarHBondContact CA-O 3.41Å; V392-I395 PolarHBondContact N-O 3.24Å; V392-I395 WeakPolarHBondContact O-CB 3.44Å; V392-I395 PolarHBondContact O-N 3.49Å; F393-I395 PolarHBondContact O-N 2.91Å
396N95.6Very high96.5Very high103 Ų10391.6 Ų91.655%0.55147%0.466SS*.EExtended strand (participates in β ladder)trans-89120.5177.2-77.1-25.1000110.4L389 T391L389-N396 HydrophobicContact CD1-CB 4.13Å; T391-N396 PolarHBondContact OG1-OD1 3.38Å
397M97.6Very high96.6Very high88 Ų8887.2 Ų87.243%0.43345%0.448SS..EExtended strand (participates in β ladder)trans-110.2128.3173.2-65.3179.1-71.500109.4L389 R390 V392L389-M397 WeakPolarHBondContact CA-O 3.28Å; R390-M397 PolarHBondContact N-O 3.28Å; R390-M397 PolarHBondContact O-N 2.89Å; V392-M397 HydrophobicContact CB-CE 3.79Å; V392-M397 HydrophobicContact CG2-CE 3.37Å
398K96.7Very high96.5Very high145 Ų14584.7 Ų84.763%0.6343%0.433SS*.EExtended strand (participates in β ladder)trans-117.5132.6-179.3-164.5-178.2-170.7-174.20109.8L387 E388 L389L387-K398 HydrophobicContact CD1-CD 4.49Å; L387-K398 VanDerWaalsContact CD1-CE 3.48Å; E388-K398 WeakPolarHBondContact O-CA 3.28Å; L389-K398 HydrophobicContact CD1-CB 3.92Å; L389-K398 HydrophobicContact CD1-CG 4.27Å
399Q97.6Very high96.5Very high101 Ų10186.3 Ų86.347%0.47244%0.441SS..EExtended strand (participates in β ladder)trans-143.9165.817866.6177.77.900111.7L387 E388L387-Q399 WeakPolarHBondContact CA-O 3.43Å; E388-Q399 HydrophobicContact CG-CG 3.69Å; E388-Q399 PolarHBondContact N-O 3.22Å; E388-Q399 PolarHBondContact O-N 2.94Å; E388-Q399 PolarHBondContact OE1-NE2 2.68Å
400Q97.8Very high96.5Very high127 Ų12783.6 Ų83.659%0.59343%0.425SS*.EExtended strand (participates in β ladder)trans-71.4136163.5-170.7-179.414.900109.1E386 L387E386-Q400 CarbonylContact O-C 3.53Å; E386-Q400 WeakPolarHBondContact O-CA 3.49Å; L387-Q400 HydrophobicContact CD2-CB 4.47Å
401R97.3Very high96.5Very high39 Ų3978.9 Ų78.915%0.14741%0.407CS..  trans-66.6157175.772.8178.1-63.7-102.7-0.9111.2D385 E386 E388 N403D385-R401 WeakPolarHBondContact O-CD 3.46Å; E386-R401 PolarHBondContact O-N 2.75Å; E388-R401 HydrophobicContact CG-CB 4.43Å; R401-N403 WeakPolarHBondContact CD-OD1 3.41Å; R401-N403 VanDerWaalsContact CG-OD1 3.23Å; R401-N403 WeakPolarHBondContact CG-OD1 3.39Å; R401-N403 PolarHBondContact NH1-OD1 3.39Å; R401-N403 PolarHBondContact O-N 2.91Å
402N97.9Very high96.3Very high58 Ų5878.1 Ų78.131%0.3140%0.396SS..  trans-72.992176.3-172.6-7.7000111.6A404 K438N402-A404 WeakPolarHBondContact OD1-CB 3.49Å; N402-A404 PolarHBondContact OD1-N 2.88Å; N402-K438 WeakPolarHBondContact O-CE 3.28Å
403N96.7Very high96.1Very high48 Ų4880.4 Ų80.426%0.25740%0.402SS..  trans-95.17.8177.4-75.2-24.9000113.9R401 Q405R401-N403 WeakPolarHBondContact CD-OD1 3.41Å; R401-N403 VanDerWaalsContact CG-OD1 3.23Å; R401-N403 WeakPolarHBondContact CG-OD1 3.39Å; R401-N403 PolarHBondContact NH1-OD1 3.39Å; R401-N403 PolarHBondContact O-N 2.91Å; N403-Q405 PolarHBondContact O-N 3.45Å; N403-Q405 PolarHBondContact O-NE2 2.83Å
404A96.6Very high96Very high29 Ų2972.8 Ų72.824%0.2437%0.367CS..  trans-55.8127.3-174.800000111.1N402 K438 T596N402-A404 WeakPolarHBondContact OD1-CB 3.49Å; N402-A404 PolarHBondContact OD1-N 2.88Å; A404-K438 PolarHBondContact O-NZ 3.01Å; A404-T596 HydrophobicContact CB-CG2 3.84Å
405Q95.6Very high95.9Very high131 Ų13171.1 Ų71.161%0.61234%0.341SS*.  trans-91.1110.1179.2-61.8-59.5-6000109N403N403-Q405 PolarHBondContact O-N 3.45Å; N403-Q405 PolarHBondContact O-NE2 2.83Å
406I95.6Very high95.4Very high3 Ų367.4 Ų67.42%0.01533%0.33CS..  trans-111.192.3178.5-46.6172.8000107.3I268 V411 W414 T431 A434 I435 K438 L598I268-I406 WeakPolarHBondContact CD1-O 3.34Å; I406-V411 HydrophobicContact CG2-CG2 4.46Å; I406-W414 HydrophobicContact CG2-CH2 4.15Å; I406-W414 HydrophobicContact CG2-CZ3 3.93Å; I406-T431 VanDerWaalsContact O-CG2 3.29Å; I406-T431 WeakPolarHBondContact O-CG2 3.38Å; I406-A434 HydrophobicContact CD1-CB 3.97Å; I406-A434 HydrophobicContact CG2-CB 3.72Å; I406-I435 HydrophobicContact CB-CD1 4.02Å; I406-I435 HydrophobicContact CD1-CD1 4.44Å; I406-K438 HydrophobicContact CD1-CD 4.49Å; I406-L598 HydrophobicContact CD1-CD1 3.57Å; I406-L598 HydrophobicContact CD1-CD2 3.63Å; I406-L598 HydrophobicContact CD1-CG 4.23Å
407T96.5Very high93.9Very high34 Ų3468.6 Ų68.621%0.20935%0.346CS..  trans-105.1168.217978.50000110.7I268 E409 K410 V411I268-T407 HydrophobicContact CG1-CG2 4.39Å; T407-E409 WeakPolarHBondContact CB-OE2 3.25Å; T407-E409 PolarHBondContact O-N 3.34Å; T407-E409 PolarHBondContact OG1-N 3.44Å; T407-E409 PolarHBondContact OG1-OE2 2.91Å; T407-K410 PolarHBondContact O-N 2.98Å; T407-K410 PolarHBondContact OG1-N 3.06Å; T407-V411 PolarHBondContact O-N 3.44Å
408K94.7Very high92Very high41 Ų4173.2 Ų73.218%0.17837%0.367CS..Hα-helixtrans-58.3-42.4173.4-66.9-158.8-45.5164.30111F269 K410 V411 F412 D424 A427 R428F269-K408 HydrophobicContact CD1-CD 4.44Å; F269-K408 HydrophobicContact CD1-CG 4.41Å; F269-K408 HydrophobicContact CE1-CD 4.01Å; F269-K408 HydrophobicContact CE1-CG 3.74Å; K408-K410 VanDerWaalsContact C-N 3.25Å; K408-K410 PolarHBondContact O-N 3.27Å; K408-V411 WeakPolarHBondContact O-CA 3.47Å; K408-V411 WeakPolarHBondContact O-CB 3.33Å; K408-V411 PolarHBondContact O-N 3.39Å; K408-V411 VanDerWaalsContact O-N 3.08Å; K408-F412 WeakPolarHBondContact O-CD2 3.21Å; K408-F412 PolarHBondContact O-N 2.93Å; K408-D424 IonicContact NZ-OD1 2.73Å; K408-D424 PolarHBondContact NZ-OD1 2.89Å; K408-D424 IonicContact NZ-OD2 2.89Å; K408-A427 HydrophobicContact CB-CB 4.46Å; K408-A427 HydrophobicContact CD-CB 4.47Å; K408-R428 HydrophobicContact CD-CB 4.35Å
409E94.1Very high90.4Very high119 Ų11969.1 Ų69.156%0.55636%0.356SS*.Hα-helixtrans-60.1-40-179.9-58.667.4-141.600110.2T407 F412 E413T407-E409 WeakPolarHBondContact CB-OE2 3.25Å; T407-E409 PolarHBondContact O-N 3.34Å; T407-E409 PolarHBondContact OG1-N 3.44Å; T407-E409 PolarHBondContact OG1-OE2 2.91Å; E409-F412 PolarHBondContact O-N 2.7Å; E409-E413 WeakPolarHBondContact O-CB 3.48Å; E409-E413 PolarHBondContact O-N 2.82Å
410K95.3Very high89.3Confident53 Ų5374 Ų7423%0.2338%0.376CS..Hα-helixtrans-66.7-38.1175.1-166.367.9-172.5172.40112.4T407 K408 E413 W414T407-K410 PolarHBondContact O-N 2.98Å; T407-K410 PolarHBondContact OG1-N 3.06Å; K408-K410 VanDerWaalsContact C-N 3.25Å; K408-K410 PolarHBondContact O-N 3.27Å; K410-E413 VanDerWaalsContact CD-OE2 3.3Å; K410-E413 WeakPolarHBondContact CD-OE2 3.36Å; K410-E413 IonicContact NZ-OE1 3.13Å; K410-E413 PolarHBondContact NZ-OE1 3.19Å; K410-E413 IonicContact NZ-OE2 3.34Å; K410-E413 PolarHBondContact NZ-OE2 2.94Å; K410-E413 WeakPolarHBondContact O-CB 3.09Å; K410-E413 PolarHBondContact O-N 2.77Å; K410-W414 HydrophobicContact CD-CZ2 4.3Å; K410-W414 HydrophobicContact CG-CD2 3.98Å; K410-W414 HydrophobicContact CG-CE3 4.18Å; K410-W414 HydrophobicContact CG-CH2 3.77Å; K410-W414 HydrophobicContact CG-CZ2 3.55Å; K410-W414 HydrophobicContact CG-CZ3 4.09Å; K410-W414 WeakPolarHBondContact O-CB 3.23Å; K410-W414 PolarHBondContact O-N 3.12Å
411V96.2Very high88.8Confident0 Ų070.4 Ų70.40%037%0.373CS..Hα-helixtrans-64.4-39.1173.8173.20000111.6I406 T407 K408 W414 F415 M422 A427 L430 T431 L569I406-V411 HydrophobicContact CG2-CG2 4.46Å; T407-V411 PolarHBondContact O-N 3.44Å; K408-V411 WeakPolarHBondContact O-CA 3.47Å; K408-V411 WeakPolarHBondContact O-CB 3.33Å; K408-V411 PolarHBondContact O-N 3.39Å; K408-V411 VanDerWaalsContact O-N 3.08Å; V411-W414 HydrophobicContact CG2-CE3 4.23Å; V411-W414 HydrophobicContact CG2-CZ3 4.25Å; V411-F415 WeakPolarHBondContact O-CB 3.44Å; V411-F415 PolarHBondContact O-N 3Å; V411-F415 VanDerWaalsContact O-N 3.13Å; V411-M422 HydrophobicContact CG1-CE 3.9Å; V411-A427 HydrophobicContact CG1-CB 4.5Å; V411-L430 HydrophobicContact CG1-CB 4.29Å; V411-L430 HydrophobicContact CG1-CD1 4.08Å; V411-T431 WeakPolarHBondContact CG2-OG1 3.47Å; V411-L569 HydrophobicContact CG2-CD2 4.15Å
412F94.2Very high88.6Confident70 Ų7069.7 Ų69.731%0.30737%0.371SS..Hα-helixtrans-64.7-43171.5-80.4-74.2000112.2K408 E409 F415 G416 M422 A427K408-F412 WeakPolarHBondContact O-CD2 3.21Å; K408-F412 PolarHBondContact O-N 2.93Å; E409-F412 PolarHBondContact O-N 2.7Å; F412-F415 PolarHBondContact O-N 2.9Å; F412-G416 PolarHBondContact O-N 3.34Å; F412-M422 HydrophobicContact CD1-CB 4.18Å; F412-M422 HydrophobicContact CD1-CG 3.57Å; F412-M422 HydrophobicContact CE1-CB 3.86Å; F412-M422 HydrophobicContact CE1-CG 3.24Å; F412-M422 HydrophobicContact CG-CG 4.45Å; F412-M422 HydrophobicContact CZ-CG 3.89Å; F412-A427 HydrophobicContact CD2-CB 4.06Å; F412-A427 HydrophobicContact CE2-CB 3.47Å; F412-A427 VanDerWaalsContact CE2-CB 3.47Å; F412-A427 HydrophobicContact CZ-CB 3.75Å
413E93.6Very high88.5Confident124 Ų12469.7 Ų69.758%0.57937%0.374SS*.Hα-helixtrans-59-49.1176.7-172.2-164.5140.500111.3E409 K410 F415 G416E409-E413 WeakPolarHBondContact O-CB 3.48Å; E409-E413 PolarHBondContact O-N 2.82Å; K410-E413 VanDerWaalsContact CD-OE2 3.3Å; K410-E413 WeakPolarHBondContact CD-OE2 3.36Å; K410-E413 IonicContact NZ-OE1 3.13Å; K410-E413 PolarHBondContact NZ-OE1 3.19Å; K410-E413 IonicContact NZ-OE2 3.34Å; K410-E413 PolarHBondContact NZ-OE2 2.94Å; K410-E413 WeakPolarHBondContact O-CB 3.09Å; K410-E413 PolarHBondContact O-N 2.77Å; E413-F415 VanDerWaalsContact C-N 3.27Å; E413-F415 PolarHBondContact O-N 3.29Å; E413-G416 PolarHBondContact O-N 3.38Å; E413-G416 VanDerWaalsContact O-N 3.11Å
414W94.8Very high88.4Confident41 Ų4171.8 Ų71.816%0.15539%0.385CS..Hα-helixtrans-62.7-30.8177.5-75.5-34.7000113.6I406 K410 V411 G416 L569 V592 F593 T594 D595I406-W414 HydrophobicContact CG2-CH2 4.15Å; I406-W414 HydrophobicContact CG2-CZ3 3.93Å; K410-W414 HydrophobicContact CD-CZ2 4.3Å; K410-W414 HydrophobicContact CG-CD2 3.98Å; K410-W414 HydrophobicContact CG-CE3 4.18Å; K410-W414 HydrophobicContact CG-CH2 3.77Å; K410-W414 HydrophobicContact CG-CZ2 3.55Å; K410-W414 HydrophobicContact CG-CZ3 4.09Å; K410-W414 WeakPolarHBondContact O-CB 3.23Å; K410-W414 PolarHBondContact O-N 3.12Å; V411-W414 HydrophobicContact CG2-CE3 4.23Å; V411-W414 HydrophobicContact CG2-CZ3 4.25Å; W414-G416 VanDerWaalsContact C-N 3.3Å; W414-L569 HydrophobicContact CE3-CD1 3.92Å; W414-L569 HydrophobicContact CZ3-CD1 4.25Å; W414-L569 HydrophobicContact CZ3-CD2 4.39Å; W414-V592 HydrophobicContact CB-CG1 3.57Å; W414-F593 WeakPolarHBondContact CB-O 3.49Å; W414-T594 VanDerWaalsContact CH2-OG1 3.23Å; W414-T594 WeakPolarHBondContact CH2-OG1 3.3Å; W414-T594 WeakPolarHBondContact CZ2-OG1 3.16Å; W414-D595 PolarHBondContact NE1-OD1 3.36Å; W414-D595 VanDerWaalsContact NE1-OD1 3.11Å
415F92.5Very high88.4Confident32 Ų3275.4 Ų75.414%0.1440%0.397CS..Hα-helixtrans-74.2-23.1176.4-174.1-122.5000112.9V411 F412 E413 S419 M422 L590 V592V411-F415 WeakPolarHBondContact O-CB 3.44Å; V411-F415 PolarHBondContact O-N 3Å; V411-F415 VanDerWaalsContact O-N 3.13Å; F412-F415 PolarHBondContact O-N 2.9Å; E413-F415 VanDerWaalsContact C-N 3.27Å; E413-F415 PolarHBondContact O-N 3.29Å; F415-S419 VanDerWaalsContact CE1-O 3.24Å; F415-S419 WeakPolarHBondContact CE1-O 3.31Å; F415-S419 WeakPolarHBondContact O-CB 3.38Å; F415-S419 PolarHBondContact O-OG 3.34Å; F415-M422 HydrophobicContact CB-CE 3.93Å; F415-M422 HydrophobicContact CD1-CB 3.57Å; F415-M422 HydrophobicContact CD1-CE 4.18Å; F415-M422 HydrophobicContact CD1-CG 4.42Å; F415-M422 HydrophobicContact CD2-CE 4.28Å; F415-M422 HydrophobicContact CE1-CB 3.64Å; F415-M422 HydrophobicContact CG-CB 4.42Å; F415-M422 HydrophobicContact CG-CE 3.88Å; F415-L590 HydrophobicContact CD2-CD2 3.82Å; F415-L590 HydrophobicContact CD2-CG 4.26Å; F415-L590 HydrophobicContact CE1-CD1 4.1Å; F415-L590 HydrophobicContact CE2-CD1 3.97Å; F415-L590 HydrophobicContact CE2-CD2 3.58Å; F415-L590 HydrophobicContact CE2-CG 3.5Å; F415-L590 VanDerWaalsContact CE2-CG 3.5Å; F415-L590 HydrophobicContact CZ-CD1 3.59Å; F415-L590 HydrophobicContact CZ-CD2 4.08Å; F415-L590 HydrophobicContact CZ-CG 3.64Å; F415-V592 HydrophobicContact CB-CG1 4.32Å; F415-V592 HydrophobicContact CB-CG2 4.15Å; F415-V592 HydrophobicContact CD2-CG2 3.9Å; F415-V592 HydrophobicContact CG-CG2 4.33Å
416G85.8Confident88.4Confident30 Ų3070.9 Ų70.931%0.30938%0.376SS..  trans85.3141.3-179.200000113.1F412 E413 W414 E418 S419F412-G416 PolarHBondContact O-N 3.34Å; E413-G416 PolarHBondContact O-N 3.38Å; E413-G416 VanDerWaalsContact O-N 3.11Å; W414-G416 VanDerWaalsContact C-N 3.3Å; G416-E418 PolarHBondContact O-N 3.2Å; G416-S419 PolarHBondContact O-N 2.85Å
417S64.3Low88.5Confident127 Ų12770.8 Ų70.889%0.88838%0.376SS*.THydrogen-bonded Turntrans-66.8-19.7-175.450.80000114.8
418E59.2Low88.6Confident186 Ų18671.9 Ų71.987%0.86938%0.376SS*.THydrogen-bonded Turntrans-90-12.5-177-59.4-171.7170.500112.9G416G416-E418 PolarHBondContact O-N 3.2Å
419S63.2Low88.8Confident59 Ų5970.1 Ų70.141%0.41337%0.369SS..  trans-84.5119.5-174.5-560000111F415 G416F415-S419 VanDerWaalsContact CE1-O 3.24Å; F415-S419 WeakPolarHBondContact CE1-O 3.31Å; F415-S419 WeakPolarHBondContact O-CB 3.38Å; F415-S419 PolarHBondContact O-OG 3.34Å; G416-S419 PolarHBondContact O-N 2.85Å
420K73.5Confident89Confident204 Ų20464.5 Ų64.589%0.88734%0.342SS*.  trans-83144.4174.9-66.4-174.9-178.9179.20110.7
421G87.3Confident89.2Confident51 Ų5162 Ų6253%0.52633%0.331SS..  trans121-15.2166.800000116T423 L590G421-T423 PolarHBondContact O-N 3.13Å; G421-L590 VanDerWaalsContact C-CD1 3.48Å
422M94Very high89.3Confident23 Ų2362 Ų6211%0.11333%0.332CS..  trans-71.9114.8173.3-175.268.175.900110V411 F412 F415 I426 A427 L430 L590 V592V411-M422 HydrophobicContact CG1-CE 3.9Å; F412-M422 HydrophobicContact CD1-CB 4.18Å; F412-M422 HydrophobicContact CD1-CG 3.57Å; F412-M422 HydrophobicContact CE1-CB 3.86Å; F412-M422 HydrophobicContact CE1-CG 3.24Å; F412-M422 HydrophobicContact CG-CG 4.45Å; F412-M422 HydrophobicContact CZ-CG 3.89Å; F415-M422 HydrophobicContact CB-CE 3.93Å; F415-M422 HydrophobicContact CD1-CB 3.57Å; F415-M422 HydrophobicContact CD1-CE 4.18Å; F415-M422 HydrophobicContact CD1-CG 4.42Å; F415-M422 HydrophobicContact CD2-CE 4.28Å; F415-M422 HydrophobicContact CE1-CB 3.64Å; F415-M422 HydrophobicContact CG-CB 4.42Å; F415-M422 HydrophobicContact CG-CE 3.88Å; M422-I426 HydrophobicContact CE-CG2 4.45Å; M422-I426 HydrophobicContact SD-CB 3.84Å; M422-I426 HydrophobicContact SD-CG2 3.44Å; M422-I426 WeakPolarHBondContact SD-CG2 3.38Å; M422-A427 HydrophobicContact CG-CB 4.25Å; M422-A427 HydrophobicContact SD-CB 4Å; M422-L430 HydrophobicContact CE-CD1 3.97Å; M422-L430 HydrophobicContact SD-CD1 4.31Å; M422-L590 HydrophobicContact CB-CD1 4.15Å; M422-L590 HydrophobicContact CE-CD1 4.38Å; M422-L590 HydrophobicContact CE-CD2 3.51Å; M422-L590 HydrophobicContact SD-CD1 4.45Å; M422-L590 HydrophobicContact SD-CD2 4.37Å; M422-V592 HydrophobicContact CE-CG2 3.43Å; M422-V592 VanDerWaalsContact CE-CG2 3.43Å
423T94.6Very high89.5Confident59 Ų5958.7 Ų58.736%0.36232%0.317SS..  trans-97.5165.7170.381.20000110.7G421 E425 I426 A427G421-T423 PolarHBondContact O-N 3.13Å; T423-E425 VanDerWaalsContact C-N 3.25Å; T423-E425 VanDerWaalsContact CB-OE2 3.27Å; T423-E425 WeakPolarHBondContact CB-OE2 3.45Å; T423-E425 PolarHBondContact O-N 2.7Å; T423-E425 PolarHBondContact OG1-N 3.21Å; T423-E425 PolarHBondContact OG1-OE2 3.35Å; T423-I426 HydrophobicContact CG2-CD1 4.27Å; T423-I426 PolarHBondContact O-N 2.88Å; T423-I426 PolarHBondContact OG1-N 2.89Å; T423-A427 PolarHBondContact O-N 3.01Å
424D94.6Very high89.8Confident91 Ų9152.8 Ų52.849%0.48729%0.289SS..Hα-helixtrans-61.3-33.8175.6-98.6-23000112.9K408 R428K408-D424 IonicContact NZ-OD1 2.73Å; K408-D424 PolarHBondContact NZ-OD1 2.89Å; K408-D424 IonicContact NZ-OD2 2.89Å; D424-R428 WeakPolarHBondContact O-CB 3.32Å; D424-R428 PolarHBondContact O-N 3.45Å
425E96.3Very high90Very high105 Ų10550.8 Ų50.849%0.49128%0.282SS..Hα-helixtrans-67.3-41.1175.6-6076.1-165.700111.8T423 R428 D429T423-E425 VanDerWaalsContact C-N 3.25Å; T423-E425 VanDerWaalsContact CB-OE2 3.27Å; T423-E425 WeakPolarHBondContact CB-OE2 3.45Å; T423-E425 PolarHBondContact O-N 2.7Å; T423-E425 PolarHBondContact OG1-N 3.21Å; T423-E425 PolarHBondContact OG1-OE2 3.35Å; E425-R428 PolarHBondContact O-N 2.71Å; E425-D429 WeakPolarHBondContact O-CB 3.35Å; E425-D429 PolarHBondContact O-N 3.26Å
426I97.2Very high90.3Very high37 Ų3749.3 Ų49.319%0.1928%0.276CS..Hα-helixtrans-66.2-49.5176.7-64173.8000109.7M422 T423 R428 D429 L430 S567M422-I426 HydrophobicContact CE-CG2 4.45Å; M422-I426 HydrophobicContact SD-CB 3.84Å; M422-I426 HydrophobicContact SD-CG2 3.44Å; M422-I426 WeakPolarHBondContact SD-CG2 3.38Å; T423-I426 HydrophobicContact CG2-CD1 4.27Å; T423-I426 PolarHBondContact O-N 2.88Å; T423-I426 PolarHBondContact OG1-N 2.89Å; I426-R428 VanDerWaalsContact C-N 3.27Å; I426-R428 PolarHBondContact O-N 3.14Å; I426-D429 PolarHBondContact O-N 3Å; I426-L430 HydrophobicContact CG2-CD1 3.79Å; I426-L430 HydrophobicContact CG2-CG 4.2Å; I426-L430 WeakPolarHBondContact O-CB 3.45Å; I426-L430 WeakPolarHBondContact O-CG 3.49Å; I426-L430 PolarHBondContact O-N 3.41Å; I426-S567 VanDerWaalsContact CG2-CB 3.45Å
427A97.4Very high90.9Very high0 Ų047.9 Ų47.90%026%0.261CS..Hα-helixtrans-59.5-40.2178.100000111.4K408 V411 F412 M422 T423 T431K408-A427 HydrophobicContact CB-CB 4.46Å; K408-A427 HydrophobicContact CD-CB 4.47Å; V411-A427 HydrophobicContact CG1-CB 4.5Å; F412-A427 HydrophobicContact CD2-CB 4.06Å; F412-A427 HydrophobicContact CE2-CB 3.47Å; F412-A427 VanDerWaalsContact CE2-CB 3.47Å; F412-A427 HydrophobicContact CZ-CB 3.75Å; M422-A427 HydrophobicContact CG-CB 4.25Å; M422-A427 HydrophobicContact SD-CB 4Å; T423-A427 PolarHBondContact O-N 3.01Å; A427-T431 WeakPolarHBondContact O-CB 3.3Å; A427-T431 PolarHBondContact O-N 2.61Å; A427-T431 PolarHBondContact O-OG1 3.39Å
428R98Very high92.5Very high57 Ų5742 Ų4222%0.21522%0.219CC..Hα-helixtrans-60.4-52.2174.2177.1-158.769.8-149.3-9.1111.9F269 I287 K408 D424 E425 I426 T431 L432 N450F269-R428 HydrophobicContact CD1-CG 4.16Å; F269-R428 HydrophobicContact CE1-CB 4.01Å; F269-R428 HydrophobicContact CE1-CG 3.62Å; F269-R428 HydrophobicContact CZ-CG 4.09Å; F269-R428 WeakPolarHBondContact CZ-O 3.43Å; I287-R428 HydrophobicContact CD1-CG 3.99Å; K408-R428 HydrophobicContact CD-CB 4.35Å; D424-R428 WeakPolarHBondContact O-CB 3.32Å; D424-R428 PolarHBondContact O-N 3.45Å; E425-R428 PolarHBondContact O-N 2.71Å; I426-R428 VanDerWaalsContact C-N 3.27Å; I426-R428 PolarHBondContact O-N 3.14Å; R428-T431 PolarHBondContact O-N 3.09Å; R428-L432 WeakPolarHBondContact O-CB 3.36Å; R428-L432 PolarHBondContact O-N 3.31Å; R428-N450 VanDerWaalsContact NH2-CA 3.33Å
429D98.6Very high94.4Very high5 Ų533.4 Ų33.43%0.02718%0.179CC..Hα-helixtrans-70.8-36.6-174.2-69.2-15.1000111.7E425 I426 A433 A448 K449 N450 G451 S544E425-D429 WeakPolarHBondContact O-CB 3.35Å; E425-D429 PolarHBondContact O-N 3.26Å; I426-D429 PolarHBondContact O-N 3Å; D429-A433 VanDerWaalsContact O-CB 3.32Å; D429-A433 WeakPolarHBondContact O-CB 3.48Å; D429-A433 PolarHBondContact O-N 2.99Å; D429-A448 HydrophobicContact CB-CB 4.2Å; D429-A448 WeakPolarHBondContact O-CB 3.28Å; D429-K449 WeakPolarHBondContact OD2-CA 3.23Å; D429-N450 PolarHBondContact OD1-N 3.26Å; D429-N450 PolarHBondContact OD2-N 3.44Å; D429-G451 WeakPolarHBondContact OD1-CA 3.26Å; D429-G451 PolarHBondContact OD1-N 3.36Å; D429-S544 WeakPolarHBondContact CB-OG 3.28Å
430L98.7Very high96.1Very high0 Ų030.6 Ų30.60%016%0.159CC..Hα-helixtrans-63-44.6171-70.8175.1000112V411 M422 I426 A433 A434 L545 L569 V592V411-L430 HydrophobicContact CG1-CB 4.29Å; V411-L430 HydrophobicContact CG1-CD1 4.08Å; M422-L430 HydrophobicContact CE-CD1 3.97Å; M422-L430 HydrophobicContact SD-CD1 4.31Å; I426-L430 HydrophobicContact CG2-CD1 3.79Å; I426-L430 HydrophobicContact CG2-CG 4.2Å; I426-L430 WeakPolarHBondContact O-CB 3.45Å; I426-L430 WeakPolarHBondContact O-CG 3.49Å; I426-L430 PolarHBondContact O-N 3.41Å; L430-A433 PolarHBondContact O-N 2.87Å; L430-A434 WeakPolarHBondContact O-CB 3.4Å; L430-A434 PolarHBondContact O-N 3.03Å; L430-L545 WeakPolarHBondContact CD2-O 3.34Å; L430-L569 HydrophobicContact CB-CB 4.35Å; L430-L569 HydrophobicContact CD1-CB 4.46Å; L430-L569 HydrophobicContact CD2-CB 3.8Å; L430-L569 HydrophobicContact CG-CB 4.43Å; L430-V592 HydrophobicContact CD1-CG2 4.01Å
431T98.6Very high97.3Very high0 Ų022.9 Ų22.90%013%0.126CC..Hα-helixtrans-63.8-45.2178.2-59.30000110.9I268 F269 I406 V411 A427 R428 A433 A434 I435I268-T431 HydrophobicContact CD1-CG2 4.38Å; I268-T431 HydrophobicContact CG2-CG2 3.91Å; F269-T431 HydrophobicContact CE1-CG2 4.47Å; F269-T431 HydrophobicContact CE2-CG2 4.3Å; F269-T431 HydrophobicContact CZ-CG2 3.73Å; I406-T431 VanDerWaalsContact O-CG2 3.29Å; I406-T431 WeakPolarHBondContact O-CG2 3.38Å; V411-T431 WeakPolarHBondContact CG2-OG1 3.47Å; A427-T431 WeakPolarHBondContact O-CB 3.3Å; A427-T431 PolarHBondContact O-N 2.61Å; A427-T431 PolarHBondContact O-OG1 3.39Å; R428-T431 PolarHBondContact O-N 3.09Å; T431-A433 PolarHBondContact O-N 3.19Å; T431-A434 WeakPolarHBondContact O-CB 3.24Å; T431-A434 PolarHBondContact O-N 3.28Å; T431-I435 WeakPolarHBondContact O-CG1 3.39Å; T431-I435 PolarHBondContact O-N 3.16Å
432L98.8Very high97.8Very high1 Ų120.9 Ų20.91%0.00510%0.104CC..Hα-helixtrans-60.7-44.5176.1-175.1155.3000111.6L265 F269 I287 R428 A434 I435 A436 A448 G451 T453L265-L432 HydrophobicContact CD2-CB 4.38Å; L265-L432 HydrophobicContact CD2-CG 4.11Å; F269-L432 HydrophobicContact CE2-CB 4.35Å; F269-L432 HydrophobicContact CZ-CB 4.39Å; I287-L432 HydrophobicContact CG1-CD1 4.17Å; I287-L432 HydrophobicContact CG2-CD1 4.23Å; R428-L432 WeakPolarHBondContact O-CB 3.36Å; R428-L432 PolarHBondContact O-N 3.31Å; L432-A434 VanDerWaalsContact C-N 3.31Å; L432-A434 PolarHBondContact O-N 3.28Å; L432-I435 PolarHBondContact O-N 3.32Å; L432-A436 WeakPolarHBondContact O-CB 3.43Å; L432-A436 PolarHBondContact O-N 2.97Å; L432-A448 HydrophobicContact CD2-CB 4.1Å; L432-G451 WeakPolarHBondContact CD1-O 3.47Å; L432-T453 HydrophobicContact CD2-CG2 3.56Å
433A98.8Very high98Very high0 Ų021.3 Ų21.30%011%0.107CC..Hα-helixtrans-61.7-39.4175.800000111.8D429 L430 T431 A436 V437 C446 A448 C546D429-A433 VanDerWaalsContact O-CB 3.32Å; D429-A433 WeakPolarHBondContact O-CB 3.48Å; D429-A433 PolarHBondContact O-N 2.99Å; L430-A433 PolarHBondContact O-N 2.87Å; T431-A433 PolarHBondContact O-N 3.19Å; A433-A436 PolarHBondContact O-N 3.04Å; A433-V437 WeakPolarHBondContact O-CG2 3.49Å; A433-V437 PolarHBondContact O-N 3.48Å; A433-C446 HydrophobicContact CB-CB 4.12Å; A433-A448 HydrophobicContact CB-CB 3.91Å; A433-C546 HydrophobicContact CB-CB 3.57Å
434A98.8Very high98.2Very high0 Ų018.5 Ų18.50%09%0.09CC..Hα-helixtrans-63.3-45.3176.700000112.5I406 L430 T431 L432 A436 V437 K438 C546 L569 L598I406-A434 HydrophobicContact CD1-CB 3.97Å; I406-A434 HydrophobicContact CG2-CB 3.72Å; L430-A434 WeakPolarHBondContact O-CB 3.4Å; L430-A434 PolarHBondContact O-N 3.03Å; T431-A434 WeakPolarHBondContact O-CB 3.24Å; T431-A434 PolarHBondContact O-N 3.28Å; L432-A434 VanDerWaalsContact C-N 3.31Å; L432-A434 PolarHBondContact O-N 3.28Å; A434-A436 VanDerWaalsContact C-N 3.31Å; A434-A436 PolarHBondContact O-N 3.48Å; A434-V437 WeakPolarHBondContact O-CG2 3.33Å; A434-V437 PolarHBondContact O-N 3.16Å; A434-K438 WeakPolarHBondContact O-CB 3.42Å; A434-K438 PolarHBondContact O-N 2.89Å; A434-C546 VanDerWaalsContact CA-SG 3.6Å; A434-L569 HydrophobicContact CB-CD2 3.86Å; A434-L598 HydrophobicContact CB-CD1 4.43Å
435I98.8Very high98.4Very high0 Ų014.2 Ų14.20%07%0.067CC..Hα-helixtrans-65-37175.4-61.5-61.4000110.8L261 E264 L265 I268 I406 T431 L432 K438 Y439L261-I435 HydrophobicContact CD2-CG2 4.36Å; L261-I435 HydrophobicContact CG-CG2 4.1Å; E264-I435 HydrophobicContact CB-CD1 4.42Å; E264-I435 HydrophobicContact CB-CG2 4.26Å; E264-I435 WeakPolarHBondContact OE2-CD1 3.4Å; L265-I435 HydrophobicContact CD2-CB 3.9Å; L265-I435 HydrophobicContact CD2-CG1 4.22Å; L265-I435 HydrophobicContact CD2-CG2 3.84Å; L265-I435 HydrophobicContact CG-CG2 3.96Å; I268-I435 HydrophobicContact CD1-CD1 3.7Å; I268-I435 HydrophobicContact CD1-CG1 3.79Å; I406-I435 HydrophobicContact CB-CD1 4.02Å; I406-I435 HydrophobicContact CD1-CD1 4.44Å; T431-I435 WeakPolarHBondContact O-CG1 3.39Å; T431-I435 PolarHBondContact O-N 3.16Å; L432-I435 PolarHBondContact O-N 3.32Å; I435-K438 PolarHBondContact O-N 3.13Å; I435-Y439 HydrophobicContact CG2-CD2 4.45Å; I435-Y439 HydrophobicContact CG2-CE2 4.43Å; I435-Y439 WeakPolarHBondContact O-CD2 3.37Å
436A98.8Very high98.5Very high1 Ų19.2 Ų9.21%0.0084%0.043CC..Hα-helixtrans-64.4-45.4175.100000112.7L432 A433 A434 K438 Y439 A440 C446 T453L432-A436 WeakPolarHBondContact O-CB 3.43Å; L432-A436 PolarHBondContact O-N 2.97Å; A433-A436 PolarHBondContact O-N 3.04Å; A434-A436 VanDerWaalsContact C-N 3.31Å; A434-A436 PolarHBondContact O-N 3.48Å; A436-K438 VanDerWaalsContact C-N 3.34Å; A436-Y439 PolarHBondContact O-N 3.36Å; A436-A440 PolarHBondContact O-N 3.32Å; A436-C446 HydrophobicContact CB-CB 4.44Å; A436-T453 HydrophobicContact CB-CG2 3.85Å
437V98.6Very high98.6Very high0 Ų07.4 Ų7.40%03%0.034CC..Hα-helixtrans-69.2-30.8177.8-62.50000112.8A433 A434 Y439 A440 S444 C446 D548 L598A433-V437 WeakPolarHBondContact O-CG2 3.49Å; A433-V437 PolarHBondContact O-N 3.48Å; A434-V437 WeakPolarHBondContact O-CG2 3.33Å; A434-V437 PolarHBondContact O-N 3.16Å; V437-Y439 PolarHBondContact O-N 3.42Å; V437-Y439 VanDerWaalsContact O-N 3.14Å; V437-A440 PolarHBondContact O-N 3.19Å; V437-A440 VanDerWaalsContact O-N 3.13Å; V437-S444 WeakPolarHBondContact CB-OG 3.45Å; V437-S444 PolarHBondContact O-OG 3.42Å; V437-C446 HydrophobicContact CG1-CB 3.46Å; V437-C446 VanDerWaalsContact CG1-CB 3.46Å; V437-D548 HydrophobicContact CB-CB 4.29Å; V437-D548 HydrophobicContact CG2-CB 4.38Å; V437-L598 HydrophobicContact CG2-CD1 3.77Å
438K98.8Very high98.7Very high2 Ų27.4 Ų7.41%0.0093%0.034CC..Hα-helixtrans-56.3-28.7174.4-179.7179172.3-173.70113.1E264 N402 A404 I406 A434 I435 A436 L598E264-K438 IonicContact OE1-NZ 2.89Å; E264-K438 PolarHBondContact OE1-NZ 3.4Å; E264-K438 IonicContact OE2-NZ 2.71Å; E264-K438 PolarHBondContact OE2-NZ 3.22Å; N402-K438 WeakPolarHBondContact O-CE 3.28Å; A404-K438 PolarHBondContact O-NZ 3.01Å; I406-K438 HydrophobicContact CD1-CD 4.49Å; A434-K438 WeakPolarHBondContact O-CB 3.42Å; A434-K438 PolarHBondContact O-N 2.89Å; I435-K438 PolarHBondContact O-N 3.13Å; A436-K438 VanDerWaalsContact C-N 3.34Å; K438-L598 HydrophobicContact CB-CD2 4.46Å; K438-L598 HydrophobicContact CG-CD2 4.47Å
439Y98.8Very high98.7Very high7 Ų76.4 Ų6.43%0.0273%0.031CC..THydrogen-bonded Turntrans-114.915.6180-64.4-72.4000113.7Q260 L261 E264 P282 I435 A436 V437Q260-Y439 HydrophobicContact CB-CD1 4.3Å; Q260-Y439 HydrophobicContact CB-CE1 3.5Å; Q260-Y439 HydrophobicContact CB-CE2 4.29Å; Q260-Y439 WeakPolarHBondContact CB-OH 3.43Å; Q260-Y439 HydrophobicContact CG-CE1 4.34Å; L261-Y439 HydrophobicContact CB-CD2 3.7Å; L261-Y439 HydrophobicContact CB-CE2 4.3Å; L261-Y439 HydrophobicContact CB-CG 4.16Å; L261-Y439 HydrophobicContact CG-CD2 4.03Å; E264-Y439 VanDerWaalsContact CD-OH 3.27Å; E264-Y439 PolarHBondContact OE1-OH 3Å; P282-Y439 WeakPolarHBondContact CD-O 3.32Å; I435-Y439 HydrophobicContact CG2-CD2 4.45Å; I435-Y439 HydrophobicContact CG2-CE2 4.43Å; I435-Y439 WeakPolarHBondContact O-CD2 3.37Å; A436-Y439 PolarHBondContact O-N 3.36Å; V437-Y439 PolarHBondContact O-N 3.42Å; V437-Y439 VanDerWaalsContact O-N 3.14Å
440A98.7Very high98.7Very high0 Ų09.8 Ų9.80%05%0.05CC..SBendtrans-103.4141.2173.300000110.1P282 A436 V437 S442 A458 H600P282-A440 HydrophobicContact CG-CB 4.18Å; A436-A440 PolarHBondContact O-N 3.32Å; V437-A440 PolarHBondContact O-N 3.19Å; V437-A440 VanDerWaalsContact O-N 3.13Å; A440-S442 PolarHBondContact O-N 3.02Å; A440-A458 HydrophobicContact CB-CB 4.34Å; A440-H600 WeakPolarHBondContact O-CB 3.42Å
441Q98.7Very high98.6Very high41 Ų4110 Ų1019%0.1925%0.051CC..PPolyproline II helixtrans-58.7131.7176.9-64.1-58.8-5200110.4V280 S281 A458 G459 H600V280-Q441 WeakPolarHBondContact O-CG 3.37Å; V280-Q441 PolarHBondContact O-NE2 2.94Å; V280-Q441 VanDerWaalsContact O-NE2 3.16Å; S281-Q441 WeakPolarHBondContact OG-CG 3.18Å; S281-Q441 PolarHBondContact OG-N 3.29Å; Q441-A458 CarbonylContact O-C 3.58Å; Q441-A458 WeakPolarHBondContact O-CA 3.34Å; Q441-G459 PolarHBondContact O-N 2.87Å; Q441-H600 PolarHBondContact NE2-CD2 2.86Å; Q441-H600 PolarHBondContact NE2-NE2 3.46Å; Q441-H600 VanDerWaalsContact NE2-NE2 3.15Å
442S98.3Very high98.7Very high9 Ų910 Ų106%0.0635%0.051CC..SBendtrans-79.8155.6-175.4-72.70000114A440 G459 D548 F599 H600 H601A440-S442 PolarHBondContact O-N 3.02Å; S442-G459 WeakPolarHBondContact O-CA 3.41Å; S442-D548 WeakPolarHBondContact CB-OD2 3.45Å; S442-D548 PolarHBondContact OG-OD2 3.01Å; S442-F599 VanDerWaalsContact OG-CA 3.25Å; S442-F599 WeakPolarHBondContact OG-CA 3.19Å; S442-H600 PolarHBondContact N-O 3.37Å; S442-H600 PolarHBondContact OG-N 3.09Å; S442-H601 PolarHBondContact O-CE1 3.14Å
443N98.2Very high98.7Very high33 Ų339.9 Ų9.918%0.1765%0.051CC..SBendcis-73.9141.2-8.1-65.4-42.7000110.8G459 Q460 R463 C466 D548 F599N443-G459 PolarHBondContact O-N 3.35Å; N443-Q460 VanDerWaalsContact CB-O 3.23Å; N443-Q460 WeakPolarHBondContact CB-O 3.31Å; N443-Q460 PolarHBondContact N-O 3.06Å; N443-Q460 PolarHBondContact ND2-O 3.04Å; N443-Q460 PolarHBondContact O-N 3.28Å; N443-R463 PolarHBondContact OD1-NH2 3.27Å; N443-C466 PolarHBondContact O-SG 2.97Å; N443-D548 WeakPolarHBondContact CA-OD2 3.48Å; N443-F599 VanDerWaalsContact OD1-CE1 3.25Å; N443-F599 WeakPolarHBondContact OD1-CE1 3.39Å
444S98.7Very high98.7Very high0 Ų09.9 Ų9.90%05%0.051CC..  trans-128.5146.8-175.465.70000113.7V437 G457 R463 D548V437-S444 WeakPolarHBondContact CB-OG 3.45Å; V437-S444 PolarHBondContact O-OG 3.42Å; S444-G457 WeakPolarHBondContact CA-O 3.3Å; S444-G457 WeakPolarHBondContact CB-O 3.13Å; S444-R463 PolarHBondContact O-NH1 3.4Å; S444-D548 VanDerWaalsContact N-CG 3.27Å; S444-D548 PolarHBondContact N-OD1 3.22Å; S444-D548 PolarHBondContact N-OD2 2.9Å; S444-D548 PolarHBondContact O-N 2.57Å; S444-D548 VanDerWaalsContact O-N 3.14Å; S444-D548 WeakPolarHBondContact OG-CB 3.4Å; S444-D548 VanDerWaalsContact OG-CG 3.31Å; S444-D548 PolarHBondContact OG-OD2 2.82Å
445V98.9Very high98.7Very high0 Ų010 Ų100%05%0.051CC..EExtended strand (participates in β ladder)trans-138.7131.2175.61750000107.6L447 I456 G457 C466 V467 A470 L545 C546V445-L447 HydrophobicContact CG1-CD1 4.28Å; V445-I456 WeakPolarHBondContact O-CA 3.46Å; V445-G457 PolarHBondContact N-O 3.03Å; V445-G457 PolarHBondContact O-N 2.96Å; V445-C466 HydrophobicContact CG2-CB 4.04Å; V445-V467 HydrophobicContact CG1-CG2 4.35Å; V445-V467 HydrophobicContact CG2-CG2 3.94Å; V445-A470 HydrophobicContact CB-CB 4.04Å; V445-A470 HydrophobicContact CG1-CB 3.91Å; V445-A470 WeakPolarHBondContact O-CB 3.45Å; V445-L545 HydrophobicContact CG1-CD1 3.83Å; V445-L545 HydrophobicContact CG1-CD2 4Å; V445-L545 HydrophobicContact CG1-CG 3.9Å; V445-C546 WeakPolarHBondContact CA-O 3.24Å
446C98.9Very high98.7Very high0 Ų010.1 Ų10.10%05%0.052CC..EExtended strand (participates in β ladder)trans-123132.9178.3179.70000110.7A433 A436 V437 T453 G455 I456 L545 C546A433-C446 HydrophobicContact CB-CB 4.12Å; A436-C446 HydrophobicContact CB-CB 4.44Å; V437-C446 HydrophobicContact CG1-CB 3.46Å; V437-C446 VanDerWaalsContact CG1-CB 3.46Å; C446-T453 VanDerWaalsContact SG-CG2 3.51Å; C446-G455 CarbonylContact C-O 3.58Å; C446-G455 WeakPolarHBondContact CA-O 3.4Å; C446-I456 HydrophobicContact CB-CG1 4.47Å; C446-L545 CarbonylContact O-C 3.58Å; C446-L545 WeakPolarHBondContact O-CA 3.4Å; C446-C546 PolarHBondContact N-O 2.72Å; C446-C546 PolarHBondContact O-N 3.44Å
447L98.9Very high98.6Very high0 Ų010.1 Ų10.10%05%0.052CC..EExtended strand (participates in β ladder)trans-102.5133.6166-68.779.3000108.3V445 I454 G455 A470 A474 V543 S544 L545 T563 V565V445-L447 HydrophobicContact CG1-CD1 4.28Å; L447-I454 HydrophobicContact CB-CD1 4.44Å; L447-I454 HydrophobicContact CB-CG1 3.92Å; L447-I454 WeakPolarHBondContact O-CG1 3.43Å; L447-I454 PolarHBondContact O-N 3.38Å; L447-G455 PolarHBondContact N-O 3.28Å; L447-G455 PolarHBondContact O-N 2.85Å; L447-A470 HydrophobicContact CD1-CB 3.45Å; L447-A470 VanDerWaalsContact CD1-CB 3.45Å; L447-A474 HydrophobicContact CB-CB 4.28Å; L447-A474 HydrophobicContact CD2-CB 3.84Å; L447-V543 HydrophobicContact CB-CG1 3.88Å; L447-V543 HydrophobicContact CD2-CG1 3.91Å; L447-V543 HydrophobicContact CG-CG1 4.21Å; L447-S544 CarbonylContact C-O 3.47Å; L447-S544 VanDerWaalsContact CA-O 3.29Å; L447-S544 WeakPolarHBondContact CA-O 3.49Å; L447-L545 HydrophobicContact CD1-CD1 3.93Å; L447-L545 HydrophobicContact CD1-CG 4.4Å; L447-L545 HydrophobicContact CG-CB 4.39Å; L447-L545 HydrophobicContact CG-CD1 4.02Å; L447-L545 HydrophobicContact CG-CG 4.31Å; L447-T563 HydrophobicContact CD2-CG2 3.85Å; L447-V565 HydrophobicContact CD2-CG2 3.86Å
448A98.9Very high98.6Very high0 Ų011.4 Ų11.40%06%0.063CC..EExtended strand (participates in β ladder)trans-130.6150.4178.900000111.2D429 L432 A433 Q452 S544D429-A448 HydrophobicContact CB-CB 4.2Å; D429-A448 WeakPolarHBondContact O-CB 3.28Å; L432-A448 HydrophobicContact CD2-CB 4.1Å; A433-A448 HydrophobicContact CB-CB 3.91Å; A448-Q452 CarbonylContact C-O 3.58Å; A448-Q452 WeakPolarHBondContact CA-O 3.34Å; A448-Q452 WeakPolarHBondContact CB-O 3.43Å; A448-S544 PolarHBondContact N-O 3.18Å; A448-S544 PolarHBondContact O-N 2.93Å
449K98.6Very high98.6Very high35 Ų3513.4 Ų13.415%0.1528%0.084CC..EExtended strand (participates in β ladder)trans-155.9138.5176.7179.7173.5177.564.10109.3D429 G451 Q452 I454 W477 L540 H541 V543D429-K449 WeakPolarHBondContact OD2-CA 3.23Å; K449-G451 VanDerWaalsContact C-N 3.29Å; K449-G451 PolarHBondContact O-N 3.37Å; K449-Q452 PolarHBondContact N-O 3.48Å; K449-Q452 WeakPolarHBondContact O-CG 3.34Å; K449-Q452 PolarHBondContact O-N 3.11Å; K449-I454 HydrophobicContact CB-CD1 4.06Å; K449-I454 HydrophobicContact CB-CG2 4.18Å; K449-W477 HydrophobicContact CD-CH2 4.43Å; K449-L540 HydrophobicContact CD-CD1 4.1Å; K449-H541 WeakPolarHBondContact CE-O 3.46Å; K449-H541 PolarHBondContact NZ-O 2.76Å; K449-V543 HydrophobicContact CD-CG2 4.24Å
450N97.7Very high98.5Very high77 Ų7716.6 Ų16.641%0.41210%0.099SC..THydrogen-bonded Turntrans5737.6172.1-64.2-14.4000114K316 R428 D429K316-N450 PolarHBondContact NZ-O 3.13Å; R428-N450 VanDerWaalsContact NH2-CA 3.33Å; D429-N450 PolarHBondContact OD1-N 3.26Å; D429-N450 PolarHBondContact OD2-N 3.44Å
451G98.4Very high98.5Very high3 Ų325.7 Ų25.73%0.03114%0.142CC..THydrogen-bonded Turntrans76.122.8177.800000114.4A286 I287 D429 L432 K449A286-G451 WeakPolarHBondContact CA-O 3.34Å; I287-G451 PolarHBondContact N-O 2.98Å; D429-G451 WeakPolarHBondContact OD1-CA 3.26Å; D429-G451 PolarHBondContact OD1-N 3.36Å; L432-G451 WeakPolarHBondContact CD1-O 3.47Å; K449-G451 VanDerWaalsContact C-N 3.29Å; K449-G451 PolarHBondContact O-N 3.37Å
452Q98.8Very high98.4Very high0 Ų026.7 Ų26.70%015%0.153CC..EExtended strand (participates in β ladder)trans-145.4154175.258.6170.652.200111.7A285 A286 Y299 K316 A448 K449 I454 W477A285-Q452 WeakPolarHBondContact O-CA 3.33Å; A286-Q452 HydrophobicContact CB-CB 3.6Å; Y299-Q452 PolarHBondContact OH-NE2 3.14Å; Y299-Q452 PolarHBondContact OH-OE1 3.26Å; Y299-Q452 VanDerWaalsContact OH-OE1 3.12Å; K316-Q452 HydrophobicContact CB-CB 4.07Å; K316-Q452 HydrophobicContact CD-CB 4.38Å; A448-Q452 CarbonylContact C-O 3.58Å; A448-Q452 WeakPolarHBondContact CA-O 3.34Å; A448-Q452 WeakPolarHBondContact CB-O 3.43Å; K449-Q452 PolarHBondContact N-O 3.48Å; K449-Q452 WeakPolarHBondContact O-CG 3.34Å; K449-Q452 PolarHBondContact O-N 3.11Å; Q452-I454 HydrophobicContact CG-CG2 4.31Å; Q452-W477 VanDerWaalsContact NE2-CZ2 3.27Å
453T98.9Very high98.4Very high0 Ų027.2 Ų27.20%015%0.154CC..EExtended strand (participates in β ladder)trans-70.7140.5165.762.20000109.8G284 A285 C320 L432 A436 C446 I456G284-T453 VanDerWaalsContact CA-OG1 3.22Å; G284-T453 WeakPolarHBondContact CA-OG1 3.47Å; A285-T453 HydrophobicContact CB-CG2 4.17Å; A285-T453 PolarHBondContact N-OG1 2.87Å; A285-T453 PolarHBondContact O-N 3.01Å; A285-T453 PolarHBondContact O-OG1 3.06Å; C320-T453 VanDerWaalsContact CB-O 3.26Å; C320-T453 WeakPolarHBondContact CB-O 3.38Å; C320-T453 PolarHBondContact SG-O 3.36Å; C320-T453 VanDerWaalsContact SG-O 3.32Å; C320-T453 PolarHBondContact SG-OG1 3.41Å; C320-T453 VanDerWaalsContact SG-OG1 3.37Å; L432-T453 HydrophobicContact CD2-CG2 3.56Å; A436-T453 HydrophobicContact CB-CG2 3.85Å; C446-T453 VanDerWaalsContact SG-CG2 3.51Å; T453-I456 HydrophobicContact CG2-CD1 3.92Å; T453-I456 HydrophobicContact CG2-CG1 4.39Å
454I98.7Very high98.4Very high0 Ų026.8 Ų26.80%015%0.152CC..EExtended strand (participates in β ladder)trans-120-16.2176.362.2167.9000112.9L447 K449 Q452 A474 W477 V543L447-I454 HydrophobicContact CB-CD1 4.44Å; L447-I454 HydrophobicContact CB-CG1 3.92Å; L447-I454 WeakPolarHBondContact O-CG1 3.43Å; L447-I454 PolarHBondContact O-N 3.38Å; K449-I454 HydrophobicContact CB-CD1 4.06Å; K449-I454 HydrophobicContact CB-CG2 4.18Å; Q452-I454 HydrophobicContact CG-CG2 4.31Å; I454-A474 HydrophobicContact CD1-CB 3.95Å; I454-A474 HydrophobicContact CG1-CB 3.92Å; I454-A474 VanDerWaalsContact O-CA 3.27Å; I454-A474 WeakPolarHBondContact O-CA 3.47Å; I454-W477 HydrophobicContact CB-CD2 3.72Å; I454-W477 HydrophobicContact CB-CE3 3.76Å; I454-W477 HydrophobicContact CB-CG 4.05Å; I454-W477 HydrophobicContact CB-CZ3 4.29Å; I454-W477 HydrophobicContact CD1-CE3 4.03Å; I454-W477 HydrophobicContact CD1-CZ3 4.08Å; I454-W477 HydrophobicContact CG2-CD2 3.63Å; I454-W477 HydrophobicContact CG2-CE3 3.75Å; I454-W477 HydrophobicContact CG2-CG 4.3Å; I454-W477 HydrophobicContact CG2-CH2 3.88Å; I454-W477 HydrophobicContact CG2-CZ2 3.74Å; I454-W477 HydrophobicContact CG2-CZ3 3.87Å; I454-W477 WeakPolarHBondContact O-CB 3.16Å; I454-V543 HydrophobicContact CD1-CG1 3.85Å; I454-V543 HydrophobicContact CD1-CG2 3.93Å
455G98.7Very high98.3Very high1 Ų127.9 Ų27.91%0.0116%0.163CC..EExtended strand (participates in β ladder)trans-161131.6173.500000111.3C446 L447C446-G455 CarbonylContact C-O 3.58Å; C446-G455 WeakPolarHBondContact CA-O 3.4Å; L447-G455 PolarHBondContact N-O 3.28Å; L447-G455 PolarHBondContact O-N 2.85Å
456I98.8Very high98.3Very high4 Ų427.9 Ų27.92%0.02116%0.163CC..EExtended strand (participates in β ladder)trans-132.7118-178.6-52.4175.3000109.3P282 V445 C446 T453 K473P282-I456 HydrophobicContact CB-CD1 3.96Å; P282-I456 HydrophobicContact CG-CD1 3.98Å; P282-I456 WeakPolarHBondContact O-CD1 3.28Å; V445-I456 WeakPolarHBondContact O-CA 3.46Å; C446-I456 HydrophobicContact CB-CG1 4.47Å; T453-I456 HydrophobicContact CG2-CD1 3.92Å; T453-I456 HydrophobicContact CG2-CG1 4.39Å; I456-K473 VanDerWaalsContact O-CD 3.31Å; I456-K473 WeakPolarHBondContact O-CD 3.41Å; I456-K473 PolarHBondContact O-NZ 3.22Å
457G98.5Very high98.3Very high0 Ų027.9 Ų27.90%016%0.163CC..EExtended strand (participates in β ladder)trans-93.6131.116500000109.3S444 V445 C466S444-G457 WeakPolarHBondContact CA-O 3.3Å; S444-G457 WeakPolarHBondContact CB-O 3.13Å; V445-G457 PolarHBondContact N-O 3.03Å; V445-G457 PolarHBondContact O-N 2.96Å; G457-C466 VanDerWaalsContact C-SG 3.59Å
458A98.3Very high98.3Very high28 Ų2834.7 Ų34.723%0.23119%0.188CC..  trans-139.5151.9-179.900000110.6A440 Q441 Q460A440-A458 HydrophobicContact CB-CB 4.34Å; Q441-A458 CarbonylContact O-C 3.58Å; Q441-A458 WeakPolarHBondContact O-CA 3.34Å; A458-Q460 VanDerWaalsContact C-N 3.3Å; A458-Q460 PolarHBondContact O-N 3.15Å; A458-Q460 PolarHBondContact O-NE2 3.21Å
459G97.5Very high98.3Very high44 Ų4437.1 Ų37.145%0.45420%0.201SC..SBendtrans68.521.4174.500000114.7Q441 S442 N443Q441-G459 PolarHBondContact O-N 2.87Å; S442-G459 WeakPolarHBondContact O-CA 3.41Å; N443-G459 PolarHBondContact O-N 3.35Å
460Q98.1Very high98.3Very high73 Ų7335.4 Ų35.434%0.34119%0.194SC..  trans-92.6150.7-174.7-59.5-55-64.200112.2N443 A458 C466 L469N443-Q460 VanDerWaalsContact CB-O 3.23Å; N443-Q460 WeakPolarHBondContact CB-O 3.31Å; N443-Q460 PolarHBondContact N-O 3.06Å; N443-Q460 PolarHBondContact ND2-O 3.04Å; N443-Q460 PolarHBondContact O-N 3.28Å; A458-Q460 VanDerWaalsContact C-N 3.3Å; A458-Q460 PolarHBondContact O-N 3.15Å; A458-Q460 PolarHBondContact O-NE2 3.21Å; Q460-C466 HydrophobicContact CB-CB 3.68Å; Q460-C466 HydrophobicContact CG-CB 3.97Å; Q460-L469 HydrophobicContact CG-CD2 3.95Å
461Q97.7Very high98.3Very high191 Ų19131.8 Ų31.889%0.89317%0.174SC*.SBendtrans-96.8-24.1-176.8-63.5168.8-29.800113.1
462S97.3Very high98.3Very high62 Ų6235.5 Ų35.543%0.43419%0.191SC..SBendtrans-109.3131176.1172.20000110.5I464 G465 C466S462-I464 WeakPolarHBondContact OG-CG2 3.33Å; S462-G465 WeakPolarHBondContact O-CA 3.35Å; S462-G465 PolarHBondContact O-N 3.29Å; S462-G465 VanDerWaalsContact O-N 3.16Å; S462-G465 PolarHBondContact OG-N 2.97Å; S462-C466 PolarHBondContact O-N 3.01Å
463R97.6Very high98.2Very high20 Ų2037.8 Ų37.88%0.07520%0.201CC..Hα-helixtrans-60.1-49.6179.9-177.859.262.2-164.4-6.2111.9N443 S444 G465 C466 V467 S547 D548 F551 P552N443-R463 PolarHBondContact OD1-NH2 3.27Å; S444-R463 PolarHBondContact O-NH1 3.4Å; R463-G465 VanDerWaalsContact C-N 3.28Å; R463-G465 PolarHBondContact O-N 2.75Å; R463-C466 WeakPolarHBondContact O-CB 3.05Å; R463-C466 PolarHBondContact O-N 3.02Å; R463-C466 VanDerWaalsContact O-N 3.13Å; R463-V467 WeakPolarHBondContact O-CG2 3.3Å; R463-V467 PolarHBondContact O-N 3.49Å; R463-S547 WeakPolarHBondContact CD-OG 3.5Å; R463-S547 VanDerWaalsContact CZ-OG 3.26Å; R463-S547 PolarHBondContact NE-OG 2.7Å; R463-S547 PolarHBondContact NH1-OG 3.49Å; R463-D548 IonicContact CZ-OD1 3.34Å; R463-D548 IonicContact NH1-OD1 3.13Å; R463-D548 PolarHBondContact NH1-OD1 3.3Å; R463-D548 IonicContact NH2-OD1 3.25Å; R463-D548 PolarHBondContact NH2-OD1 3.28Å; R463-F551 HydrophobicContact CG-CD1 3.65Å; R463-F551 HydrophobicContact CG-CE1 4.1Å; R463-P552 HydrophobicContact CB-CG 4.24Å
464I98.1Very high98.2Very high25 Ų2537.8 Ų37.813%0.12820%0.201CC..Hα-helixtrans-63.9-34.3175.8-178.860.1000111.8S462 C466 V467 R468 D555 R559S462-I464 WeakPolarHBondContact OG-CG2 3.33Å; I464-C466 VanDerWaalsContact C-N 3.34Å; I464-V467 PolarHBondContact O-N 2.83Å; I464-R468 HydrophobicContact CD1-CG 4.21Å; I464-R468 HydrophobicContact CG1-CG 4.39Å; I464-R468 WeakPolarHBondContact O-CB 3.41Å; I464-R468 VanDerWaalsContact O-CG 3.24Å; I464-R468 WeakPolarHBondContact O-CG 3.25Å; I464-R468 PolarHBondContact O-N 3.29Å; I464-D555 HydrophobicContact CD1-CB 4.24Å; I464-D555 WeakPolarHBondContact CG1-OD2 3.44Å; I464-R559 HydrophobicContact CD1-CB 4.11Å
465G98.1Very high98.1Very high23 Ų2338.8 Ų38.824%0.23721%0.206CC..Hα-helixtrans-59.3-45.3171.700000112S462 R463 R468 L469S462-G465 WeakPolarHBondContact O-CA 3.35Å; S462-G465 PolarHBondContact O-N 3.29Å; S462-G465 VanDerWaalsContact O-N 3.16Å; S462-G465 PolarHBondContact OG-N 2.97Å; R463-G465 VanDerWaalsContact C-N 3.28Å; R463-G465 PolarHBondContact O-N 2.75Å; G465-R468 PolarHBondContact O-N 2.97Å; G465-L469 PolarHBondContact O-N 3.42Å
466C98.6Very high98Very high0 Ų039.2 Ų39.20%021%0.207CC..Hα-helixtrans-65.2-44.6176.7-157.50000112.7N443 V445 G457 Q460 S462 R463 I464 R468 L469 A470N443-C466 PolarHBondContact O-SG 2.97Å; V445-C466 HydrophobicContact CG2-CB 4.04Å; G457-C466 VanDerWaalsContact C-SG 3.59Å; Q460-C466 HydrophobicContact CB-CB 3.68Å; Q460-C466 HydrophobicContact CG-CB 3.97Å; S462-C466 PolarHBondContact O-N 3.01Å; R463-C466 WeakPolarHBondContact O-CB 3.05Å; R463-C466 PolarHBondContact O-N 3.02Å; R463-C466 VanDerWaalsContact O-N 3.13Å; I464-C466 VanDerWaalsContact C-N 3.34Å; C466-R468 PolarHBondContact O-N 3.45Å; C466-L469 PolarHBondContact O-N 2.89Å; C466-A470 WeakPolarHBondContact O-CB 3.46Å; C466-A470 PolarHBondContact O-N 3.14Å
467V98.7Very high97.9Very high0 Ų039.3 Ų39.30%021%0.208CC..Hα-helixtrans-58.4-47.5174.9172.50000110.7V445 R463 I464 L469 A470 C471 F551 C556 R559V445-V467 HydrophobicContact CG1-CG2 4.35Å; V445-V467 HydrophobicContact CG2-CG2 3.94Å; R463-V467 WeakPolarHBondContact O-CG2 3.3Å; R463-V467 PolarHBondContact O-N 3.49Å; I464-V467 PolarHBondContact O-N 2.83Å; V467-L469 VanDerWaalsContact C-N 3.35Å; V467-L469 PolarHBondContact O-N 3.34Å; V467-A470 PolarHBondContact O-N 3.02Å; V467-C471 VanDerWaalsContact O-CB 3.28Å; V467-C471 WeakPolarHBondContact O-CB 3.26Å; V467-C471 PolarHBondContact O-N 3.5Å; V467-C471 PolarHBondContact O-SG 3.24Å; V467-F551 HydrophobicContact CG2-CE1 3.72Å; V467-F551 HydrophobicContact CG2-CZ 4.31Å; V467-C556 HydrophobicContact CG2-CB 4.13Å; V467-R559 HydrophobicContact CG1-CB 4.16Å; V467-R559 HydrophobicContact CG1-CG 3.94Å
468R98.5Very high97.9Very high142 Ų14241.4 Ų41.454%0.53622%0.216SC..Hα-helixtrans-58.7-45.7178.3-74.8170.9-177.41724.5111.8I464 G465 C466 C471 E472 R559I464-R468 HydrophobicContact CD1-CG 4.21Å; I464-R468 HydrophobicContact CG1-CG 4.39Å; I464-R468 WeakPolarHBondContact O-CB 3.41Å; I464-R468 VanDerWaalsContact O-CG 3.24Å; I464-R468 WeakPolarHBondContact O-CG 3.25Å; I464-R468 PolarHBondContact O-N 3.29Å; G465-R468 PolarHBondContact O-N 2.97Å; C466-R468 PolarHBondContact O-N 3.45Å; R468-C471 PolarHBondContact O-N 3.01Å; R468-E472 WeakPolarHBondContact O-CB 3.45Å; R468-E472 PolarHBondContact O-N 3.23Å; R468-R559 HydrophobicContact CG-CG 3.95Å
469L98.3Very high97.8Very high51 Ų5140.1 Ų40.127%0.26721%0.205SC..Hα-helixtrans-63.6-47.8178.9178.665.2000112.1Q460 G465 C466 V467 C471 E472 K473Q460-L469 HydrophobicContact CG-CD2 3.95Å; G465-L469 PolarHBondContact O-N 3.42Å; C466-L469 PolarHBondContact O-N 2.89Å; V467-L469 VanDerWaalsContact C-N 3.35Å; V467-L469 PolarHBondContact O-N 3.34Å; L469-C471 VanDerWaalsContact C-N 3.33Å; L469-C471 PolarHBondContact O-N 3.39Å; L469-E472 PolarHBondContact O-N 3.02Å; L469-K473 PolarHBondContact O-N 3.44Å
470A98.7Very high97.7Very high0 Ų039.2 Ų39.20%019%0.187CC..Hα-helixtrans-62.5-42.5178.900000111.3V445 L447 C466 V467 K473 A474V445-A470 HydrophobicContact CB-CB 4.04Å; V445-A470 HydrophobicContact CG1-CB 3.91Å; V445-A470 WeakPolarHBondContact O-CB 3.45Å; L447-A470 HydrophobicContact CD1-CB 3.45Å; L447-A470 VanDerWaalsContact CD1-CB 3.45Å; C466-A470 WeakPolarHBondContact O-CB 3.46Å; C466-A470 PolarHBondContact O-N 3.14Å; V467-A470 PolarHBondContact O-N 3.02Å; A470-K473 PolarHBondContact O-N 3.26Å; A470-A474 PolarHBondContact O-N 3.16Å
471C98.5Very high97.6Very high0 Ų036.5 Ų36.50%018%0.175CC..Hα-helixtrans-65-42.5175.8-68.50000112.4V467 R468 L469 K473 A474 E475 R559 T563V467-C471 VanDerWaalsContact O-CB 3.28Å; V467-C471 WeakPolarHBondContact O-CB 3.26Å; V467-C471 PolarHBondContact O-N 3.5Å; V467-C471 PolarHBondContact O-SG 3.24Å; R468-C471 PolarHBondContact O-N 3.01Å; L469-C471 VanDerWaalsContact C-N 3.33Å; L469-C471 PolarHBondContact O-N 3.39Å; C471-K473 VanDerWaalsContact C-N 3.28Å; C471-K473 PolarHBondContact O-N 2.78Å; C471-A474 PolarHBondContact O-N 3.38Å; C471-E475 WeakPolarHBondContact O-CB 3.31Å; C471-E475 VanDerWaalsContact O-CG 3.27Å; C471-E475 WeakPolarHBondContact O-CG 3.45Å; C471-E475 PolarHBondContact O-N 2.81Å; C471-R559 VanDerWaalsContact CB-NH2 3.3Å; C471-T563 HydrophobicContact CB-CG2 4.35Å; C471-T563 WeakPolarHBondContact CB-OG1 3.41Å
472E97.1Very high97.5Very high82 Ų8228.3 Ų28.338%0.38314%0.136SC..Hα-helixtrans-60.1-40.3175.8-172.9-168.3148.800111.2R468 L469 E475 N476 R508R468-E472 WeakPolarHBondContact O-CB 3.45Å; R468-E472 PolarHBondContact O-N 3.23Å; L469-E472 PolarHBondContact O-N 3.02Å; E472-E475 PolarHBondContact O-N 2.94Å; E472-N476 WeakPolarHBondContact O-CB 3.43Å; E472-N476 PolarHBondContact O-N 3.2Å; E472-N476 PolarHBondContact O-ND2 2.96Å; E472-R508 IonicContact OE1-NH1 3.88Å; E472-R508 PolarHBondContact OE1-NH1 3.33Å
473K97.8Very high97.3Very high47 Ų4728.3 Ų28.320%0.20414%0.135CC..Hα-helixtrans-63.9-43.2174.6-74.3-171.5175.3-166.50112.5D321 I456 L469 A470 C471 E475 N476 W477D321-K473 WeakPolarHBondContact OD2-CE 3.43Å; D321-K473 IonicContact OD2-NZ 3.26Å; D321-K473 PolarHBondContact OD2-NZ 2.78Å; I456-K473 VanDerWaalsContact O-CD 3.31Å; I456-K473 WeakPolarHBondContact O-CD 3.41Å; I456-K473 PolarHBondContact O-NZ 3.22Å; L469-K473 PolarHBondContact O-N 3.44Å; A470-K473 PolarHBondContact O-N 3.26Å; C471-K473 VanDerWaalsContact C-N 3.28Å; C471-K473 PolarHBondContact O-N 2.78Å; K473-E475 VanDerWaalsContact C-N 3.34Å; K473-E475 PolarHBondContact O-N 3.29Å; K473-N476 PolarHBondContact O-N 3.46Å; K473-W477 PolarHBondContact O-N 3.47Å
474A98.4Very high97Very high0 Ų030.2 Ų30.20%015%0.146CC..Hα-helixtrans-64.4-37.7175.600000112.8L447 I454 A470 C471 W477 W478 T563L447-A474 HydrophobicContact CB-CB 4.28Å; L447-A474 HydrophobicContact CD2-CB 3.84Å; I454-A474 HydrophobicContact CD1-CB 3.95Å; I454-A474 HydrophobicContact CG1-CB 3.92Å; I454-A474 VanDerWaalsContact O-CA 3.27Å; I454-A474 WeakPolarHBondContact O-CA 3.47Å; A470-A474 PolarHBondContact O-N 3.16Å; C471-A474 PolarHBondContact O-N 3.38Å; A474-W477 WeakPolarHBondContact O-CB 3.44Å; A474-W477 PolarHBondContact O-N 3.14Å; A474-W478 PolarHBondContact O-N 3.26Å; A474-T563 HydrophobicContact CB-CG2 3.75Å
475E97.3Very high96.7Very high22 Ų2229.4 Ų29.410%0.10314%0.143CC..Hα-helixtrans-63.2-43.7172.8-72.8163.3-165.800111.3C471 E472 K473 W478 L479 L537 R559 T563C471-E475 WeakPolarHBondContact O-CB 3.31Å; C471-E475 VanDerWaalsContact O-CG 3.27Å; C471-E475 WeakPolarHBondContact O-CG 3.45Å; C471-E475 PolarHBondContact O-N 2.81Å; E472-E475 PolarHBondContact O-N 2.94Å; K473-E475 VanDerWaalsContact C-N 3.34Å; K473-E475 PolarHBondContact O-N 3.29Å; E475-W478 PolarHBondContact O-N 3Å; E475-L479 WeakPolarHBondContact O-CB 3.34Å; E475-L479 WeakPolarHBondContact O-CD1 3.23Å; E475-L479 VanDerWaalsContact O-CG 3.28Å; E475-L479 WeakPolarHBondContact O-CG 3.49Å; E475-L479 PolarHBondContact O-N 3.26Å; E475-L537 HydrophobicContact CB-CD1 4.28Å; E475-L537 HydrophobicContact CB-CD2 3.71Å; E475-L537 HydrophobicContact CG-CD1 4.14Å; E475-L537 HydrophobicContact CG-CD2 3.86Å; E475-R559 VanDerWaalsContact CD-NH2 3.31Å; E475-R559 IonicContact OE1-CZ 2.65Å; E475-R559 VanDerWaalsContact OE1-CZ 3.24Å; E475-R559 IonicContact OE1-NH1 2.69Å; E475-R559 PolarHBondContact OE1-NH1 3.39Å; E475-R559 IonicContact OE1-NH2 3.14Å; E475-R559 PolarHBondContact OE1-NH2 3.5Å; E475-R559 IonicContact OE2-NH2 2.65Å; E475-R559 PolarHBondContact OE2-NH2 3.19Å; E475-T563 HydrophobicContact CG-CG2 3.88Å; E475-T563 PolarHBondContact OE1-OG1 3.09Å
476N95.7Very high96.5Very high9 Ų930.1 Ų30.15%0.04814%0.141CC..Hα-helixtrans-65.7-39.1175.7-67.4-26.7000111.7E472 K473 W478 L479 R480 V507 R508E472-N476 WeakPolarHBondContact O-CB 3.43Å; E472-N476 PolarHBondContact O-N 3.2Å; E472-N476 PolarHBondContact O-ND2 2.96Å; K473-N476 PolarHBondContact O-N 3.46Å; N476-W478 VanDerWaalsContact C-N 3.34Å; N476-W478 PolarHBondContact O-N 3.32Å; N476-L479 PolarHBondContact O-N 2.61Å; N476-R480 WeakPolarHBondContact O-CG 3.44Å; N476-R480 PolarHBondContact O-N 3.5Å; N476-V507 HydrophobicContact CB-CG1 3.73Å; N476-V507 WeakPolarHBondContact O-CG1 3.41Å; N476-R508 PolarHBondContact ND2-NH1 3.02Å
477W97.5Very high96.1Very high7 Ų734.8 Ų34.83%0.02717%0.166CC..Hα-helixtrans-57.1-48.7171.2171.586.6000110.7Y299 K449 Q452 I454 K473 A474 L479 R480 F481 L540Y299-W477 PolarHBondContact OH-NE1 2.66Å; K449-W477 HydrophobicContact CD-CH2 4.43Å; Q452-W477 VanDerWaalsContact NE2-CZ2 3.27Å; I454-W477 HydrophobicContact CB-CD2 3.72Å; I454-W477 HydrophobicContact CB-CE3 3.76Å; I454-W477 HydrophobicContact CB-CG 4.05Å; I454-W477 HydrophobicContact CB-CZ3 4.29Å; I454-W477 HydrophobicContact CD1-CE3 4.03Å; I454-W477 HydrophobicContact CD1-CZ3 4.08Å; I454-W477 HydrophobicContact CG2-CD2 3.63Å; I454-W477 HydrophobicContact CG2-CE3 3.75Å; I454-W477 HydrophobicContact CG2-CG 4.3Å; I454-W477 HydrophobicContact CG2-CH2 3.88Å; I454-W477 HydrophobicContact CG2-CZ2 3.74Å; I454-W477 HydrophobicContact CG2-CZ3 3.87Å; I454-W477 WeakPolarHBondContact O-CB 3.16Å; K473-W477 PolarHBondContact O-N 3.47Å; A474-W477 WeakPolarHBondContact O-CB 3.44Å; A474-W477 PolarHBondContact O-N 3.14Å; W477-L479 PolarHBondContact O-N 2.7Å; W477-R480 WeakPolarHBondContact O-CB 3.34Å; W477-R480 PolarHBondContact O-N 2.9Å; W477-F481 AromaticContact CD2-CE2 3.89Å; W477-F481 HydrophobicContact CD2-CE2 3.89Å; W477-F481 AromaticContact CE2-CE2 3.43Å; W477-F481 VanDerWaalsContact CE2-CE2 3.43Å; W477-F481 AromaticContact CE2-CZ 3.83Å; W477-F481 HydrophobicContact CE3-CE2 4.4Å; W477-F481 HydrophobicContact CG-CE2 4.39Å; W477-F481 HydrophobicContact CH2-CE2 4.1Å; W477-F481 HydrophobicContact CH2-CZ 4.28Å; W477-F481 AromaticContact CZ2-CE2 3.55Å; W477-F481 HydrophobicContact CZ2-CE2 3.55Å; W477-F481 AromaticContact CZ2-CZ 3.58Å; W477-F481 HydrophobicContact CZ2-CZ 3.58Å; W477-F481 HydrophobicContact CZ3-CE2 4.49Å; W477-F481 AromaticContact NE1-CE2 3.7Å; W477-F481 WeakPolarHBondContact O-CD2 3.38Å; W477-F481 WeakPolarHBondContact O-CE2 3.46Å; W477-L540 HydrophobicContact CZ3-CD1 4.12Å
478W97.5Very high95.7Very high44 Ų4435.5 Ų35.517%0.16717%0.17CC..Hα-helixtrans-68.2-36.9-178.2-174.2-122.3000113.7A474 E475 N476 R480 F481 W536 T539 L540A474-W478 PolarHBondContact O-N 3.26Å; E475-W478 PolarHBondContact O-N 3Å; N476-W478 VanDerWaalsContact C-N 3.34Å; N476-W478 PolarHBondContact O-N 3.32Å; W478-R480 PolarHBondContact O-N 2.98Å; W478-F481 HydrophobicContact CE3-CB 4.31Å; W478-F481 HydrophobicContact CE3-CD2 4.01Å; W478-F481 HydrophobicContact CE3-CG 4.17Å; W478-F481 HydrophobicContact CZ3-CB 4.33Å; W478-F481 HydrophobicContact CZ3-CD2 4.42Å; W478-F481 HydrophobicContact CZ3-CG 4.19Å; W478-F481 WeakPolarHBondContact O-CB 3.27Å; W478-F481 PolarHBondContact O-N 2.92Å; W478-W536 AromaticContact CD1-CD1 3.6Å; W478-W536 AromaticContact CD1-NE1 3.5Å; W478-W536 AromaticContact CE2-NE1 3.94Å; W478-W536 AromaticContact CG-NE1 3.97Å; W478-W536 HydrophobicContact CZ2-CZ2 4.23Å; W478-W536 AromaticContact NE1-CD1 3.75Å; W478-W536 AromaticContact NE1-CE2 3.87Å; W478-W536 AromaticContact NE1-NE1 3.47Å; W478-W536 PolarHBondContact NE1-O 3.2Å; W478-W536 PolarHBondContact O-NE1 2.76Å; W478-T539 PolarHBondContact NE1-OG1 2.88Å; W478-L540 HydrophobicContact CB-CD1 4.47Å; W478-L540 HydrophobicContact CB-CD2 4.04Å; W478-L540 HydrophobicContact CD2-CB 4.27Å; W478-L540 HydrophobicContact CD2-CD1 3.85Å; W478-L540 HydrophobicContact CE3-CD1 4.01Å; W478-L540 HydrophobicContact CG-CB 4.02Å; W478-L540 HydrophobicContact CG-CD1 4.07Å; W478-L540 HydrophobicContact CG-CD2 4.16Å; W478-L540 HydrophobicContact CG-CG 4.3Å
479L95.9Very high95.3Very high0 Ų034.2 Ų34.20%017%0.168CC..Hα-helixtrans-63.9-23.1176.7-78.4161.6000113.1E475 N476 W477 F481 H482 V485 V507 L528 R533 W536 L537E475-L479 WeakPolarHBondContact O-CB 3.34Å; E475-L479 WeakPolarHBondContact O-CD1 3.23Å; E475-L479 VanDerWaalsContact O-CG 3.28Å; E475-L479 WeakPolarHBondContact O-CG 3.49Å; E475-L479 PolarHBondContact O-N 3.26Å; N476-L479 PolarHBondContact O-N 2.61Å; W477-L479 PolarHBondContact O-N 2.7Å; L479-F481 PolarHBondContact O-N 3.3Å; L479-H482 WeakPolarHBondContact O-CB 3.44Å; L479-H482 PolarHBondContact O-N 2.98Å; L479-H482 VanDerWaalsContact O-N 3.1Å; L479-V485 WeakPolarHBondContact O-CG2 3.38Å; L479-V507 HydrophobicContact CB-CB 4.35Å; L479-V507 HydrophobicContact CB-CG1 3.59Å; L479-V507 HydrophobicContact CB-CG2 4.01Å; L479-V507 HydrophobicContact CD1-CG1 3.96Å; L479-V507 HydrophobicContact CG-CG1 4.45Å; L479-L528 HydrophobicContact CD2-CD1 4.01Å; L479-R533 HydrophobicContact CD1-CG 4.29Å; L479-R533 VanDerWaalsContact CD1-NH1 3.26Å; L479-R533 HydrophobicContact CD2-CG 4.01Å; L479-W536 HydrophobicContact CD2-CG 4.45Å; L479-L537 HydrophobicContact CD1-CD2 4.05Å; L479-L537 HydrophobicContact CD2-CD2 4.3Å; L479-L537 HydrophobicContact CD2-CG 4.45Å; L479-L537 HydrophobicContact CG-CD2 3.8Å; L479-L537 HydrophobicContact CG-CG 4.41Å
480R95.8Very high95Very high25 Ų2533.7 Ų33.79%0.09416%0.164CC..THydrogen-bonded Turntrans-65.8-20.4173.4-69.4166.150.7-159.2-7.8113.3V298 G319 N476 W477 W478 H482 V485 V503 V507V298-R480 HydrophobicContact CG1-CB 3.88Å; V298-R480 VanDerWaalsContact CG1-NH2 3.33Å; V298-R480 WeakPolarHBondContact CG2-O 3.49Å; V298-R480 PolarHBondContact O-NH2 2.71Å; G319-R480 PolarHBondContact O-NH1 3.4Å; N476-R480 WeakPolarHBondContact O-CG 3.44Å; N476-R480 PolarHBondContact O-N 3.5Å; W477-R480 WeakPolarHBondContact O-CB 3.34Å; W477-R480 PolarHBondContact O-N 2.9Å; W478-R480 PolarHBondContact O-N 2.98Å; R480-H482 VanDerWaalsContact C-N 3.3Å; R480-V485 WeakPolarHBondContact O-CG1 3.48Å; R480-V503 HydrophobicContact CG-CG1 3.78Å; R480-V507 HydrophobicContact CG-CG2 3.97Å
481F96.5Very high94.6Very high17 Ų1735 Ų358%0.07518%0.175CC..THydrogen-bonded Turntrans-85.2-3.5175.9-64.8-101.5000112.6V294 E295 V298 W477 W478 L479 W536V294-F481 HydrophobicContact CG1-CD1 3.72Å; V294-F481 HydrophobicContact CG1-CE1 4.4Å; E295-F481 HydrophobicContact CB-CE1 4.42Å; E295-F481 HydrophobicContact CG-CE1 3.67Å; E295-F481 HydrophobicContact CG-CZ 4.05Å; V298-F481 HydrophobicContact CB-CE1 4.2Å; V298-F481 HydrophobicContact CB-CZ 4.19Å; V298-F481 HydrophobicContact CG1-CD2 4.33Å; V298-F481 HydrophobicContact CG1-CE1 4.37Å; V298-F481 HydrophobicContact CG1-CE2 3.86Å; V298-F481 HydrophobicContact CG1-CZ 3.88Å; V298-F481 HydrophobicContact CG2-CD1 3.81Å; V298-F481 HydrophobicContact CG2-CD2 4.34Å; V298-F481 HydrophobicContact CG2-CE1 3.94Å; V298-F481 HydrophobicContact CG2-CE2 4.45Å; V298-F481 HydrophobicContact CG2-CG 4Å; V298-F481 HydrophobicContact CG2-CZ 4.26Å; W477-F481 AromaticContact CD2-CE2 3.89Å; W477-F481 HydrophobicContact CD2-CE2 3.89Å; W477-F481 AromaticContact CE2-CE2 3.43Å; W477-F481 VanDerWaalsContact CE2-CE2 3.43Å; W477-F481 AromaticContact CE2-CZ 3.83Å; W477-F481 HydrophobicContact CE3-CE2 4.4Å; W477-F481 HydrophobicContact CG-CE2 4.39Å; W477-F481 HydrophobicContact CH2-CE2 4.1Å; W477-F481 HydrophobicContact CH2-CZ 4.28Å; W477-F481 AromaticContact CZ2-CE2 3.55Å; W477-F481 HydrophobicContact CZ2-CE2 3.55Å; W477-F481 AromaticContact CZ2-CZ 3.58Å; W477-F481 HydrophobicContact CZ2-CZ 3.58Å; W477-F481 HydrophobicContact CZ3-CE2 4.49Å; W477-F481 AromaticContact NE1-CE2 3.7Å; W477-F481 WeakPolarHBondContact O-CD2 3.38Å; W477-F481 WeakPolarHBondContact O-CE2 3.46Å; W478-F481 HydrophobicContact CE3-CB 4.31Å; W478-F481 HydrophobicContact CE3-CD2 4.01Å; W478-F481 HydrophobicContact CE3-CG 4.17Å; W478-F481 HydrophobicContact CZ3-CB 4.33Å; W478-F481 HydrophobicContact CZ3-CD2 4.42Å; W478-F481 HydrophobicContact CZ3-CG 4.19Å; W478-F481 WeakPolarHBondContact O-CB 3.27Å; W478-F481 PolarHBondContact O-N 2.92Å; L479-F481 PolarHBondContact O-N 3.3Å; F481-W536 VanDerWaalsContact C-CZ2 3.47Å; F481-W536 HydrophobicContact CB-CZ2 4.02Å; F481-W536 VanDerWaalsContact O-CZ2 3.29Å; F481-W536 WeakPolarHBondContact O-CZ2 3.19Å
482H95.3Very high94.2Very high19 Ų1944.2 Ų44.29%0.08822%0.217CC..SBendtrans-64.5136.4179.8-170.9-69.3000110.3L479 R480 N484 V485 L486 L528 W536L479-H482 WeakPolarHBondContact O-CB 3.44Å; L479-H482 PolarHBondContact O-N 2.98Å; L479-H482 VanDerWaalsContact O-N 3.1Å; R480-H482 VanDerWaalsContact C-N 3.3Å; H482-N484 VanDerWaalsContact C-N 3.33Å; H482-N484 VanDerWaalsContact CE1-CG 3.48Å; H482-N484 PolarHBondContact CE1-OD1 2.93Å; H482-N484 PolarHBondContact ND1-N 3.15Å; H482-N484 PolarHBondContact O-N 2.83Å; H482-V485 HydrophobicContact CB-CG2 4.22Å; H482-V485 WeakPolarHBondContact O-CA 3.34Å; H482-V485 WeakPolarHBondContact O-CB 3.25Å; H482-V485 PolarHBondContact O-N 3.26Å; H482-L486 PolarHBondContact O-N 3.39Å; H482-L528 VanDerWaalsContact CE1-CD2 3.42Å; H482-L528 WeakPolarHBondContact CE1-CD2 2.93Å; H482-W536 HydrophobicContact CB-CD2 4.21Å; H482-W536 HydrophobicContact CB-CG 4.43Å; H482-W536 HydrophobicContact CB-CZ2 4.38Å; H482-W536 AromaticContact CD2-CD2 3.55Å; H482-W536 AromaticContact CD2-CE3 3.82Å; H482-W536 AromaticContact CD2-CG 3.53Å
483P93.8Very high93.8Very high62 Ų6243.5 Ų43.540%0.40323%0.232SC..Hα-helixtrans-48.6-48.2179.7-31.335.7000114.1V485 L486 D487P483-V485 PolarHBondContact O-N 3.24Å; P483-V485 VanDerWaalsContact O-N 3.07Å; P483-L486 WeakPolarHBondContact O-CB 3.2Å; P483-L486 PolarHBondContact O-N 2.99Å; P483-D487 PolarHBondContact O-N 2.92Å
484N91.6Very high93.4Very high59 Ų5942.7 Ų42.732%0.31623%0.231SC..Hα-helixtrans-57.2-24.6175.6-58.719000115.1H482 F506 L528H482-N484 VanDerWaalsContact C-N 3.33Å; H482-N484 VanDerWaalsContact CE1-CG 3.48Å; H482-N484 PolarHBondContact CE1-OD1 2.93Å; H482-N484 PolarHBondContact ND1-N 3.15Å; H482-N484 PolarHBondContact O-N 2.83Å; N484-F506 HydrophobicContact CB-CZ 4.03Å; N484-L528 HydrophobicContact CB-CD2 4.25Å
485V91.8Very high93Very high9 Ų950 Ų506%0.05526%0.262CS..Hα-helixtrans-79.4-42.1173.9176.80000110.9L479 R480 H482 P483 D487 L488 V503 F506 V507L479-V485 WeakPolarHBondContact O-CG2 3.38Å; R480-V485 WeakPolarHBondContact O-CG1 3.48Å; H482-V485 HydrophobicContact CB-CG2 4.22Å; H482-V485 WeakPolarHBondContact O-CA 3.34Å; H482-V485 WeakPolarHBondContact O-CB 3.25Å; H482-V485 PolarHBondContact O-N 3.26Å; P483-V485 PolarHBondContact O-N 3.24Å; P483-V485 VanDerWaalsContact O-N 3.07Å; V485-D487 VanDerWaalsContact C-N 3.25Å; V485-D487 PolarHBondContact O-N 3Å; V485-L488 HydrophobicContact CG1-CD1 4.22Å; V485-L488 WeakPolarHBondContact O-CB 2.8Å; V485-L488 WeakPolarHBondContact O-CD1 3.34Å; V485-L488 WeakPolarHBondContact O-CG 3.4Å; V485-L488 PolarHBondContact O-N 3.21Å; V485-V503 HydrophobicContact CG1-CG1 3.82Å; V485-V503 HydrophobicContact CG1-CG2 4.36Å; V485-F506 HydrophobicContact CG2-CD1 3.38Å; V485-F506 HydrophobicContact CG2-CE1 3.46Å; V485-F506 VanDerWaalsContact CG2-CE1 3.46Å; V485-F506 HydrophobicContact CG2-CG 4.4Å; V485-V507 HydrophobicContact CG2-CG2 4.14Å
486L92.5Very high92.6Very high37 Ų3751.5 Ų51.519%0.19427%0.267CS..Hα-helixtrans-63.9-35175.8-55.8175.6000111V294 E297 V298 H482 P483 L488V294-L486 HydrophobicContact CG1-CD1 3.87Å; E297-L486 HydrophobicContact CG-CD2 4.13Å; V298-L486 HydrophobicContact CG2-CD2 3.62Å; H482-L486 PolarHBondContact O-N 3.39Å; P483-L486 WeakPolarHBondContact O-CB 3.2Å; P483-L486 PolarHBondContact O-N 2.99Å; L486-L488 PolarHBondContact O-N 2.94Å
487D91.7Very high92.1Very high99 Ų9952.4 Ų52.453%0.52928%0.276SS..THydrogen-bonded Turntrans-73.4-5.8178.6-75.3-32.9000114.7P483 V485 K489P483-D487 PolarHBondContact O-N 2.92Å; V485-D487 VanDerWaalsContact C-N 3.25Å; V485-D487 PolarHBondContact O-N 3Å; D487-K489 WeakPolarHBondContact O-CE 3.33Å; D487-K489 PolarHBondContact O-N 3.42Å; D487-K489 VanDerWaalsContact O-N 3.15Å
488L90.2Very high91.7Very high14 Ų1455 Ų557%0.07329%0.29CS..  trans-57.8119.9180-69.5176.7000111.4V485 L486 F490 V503 F506 L521 P525V485-L488 HydrophobicContact CG1-CD1 4.22Å; V485-L488 WeakPolarHBondContact O-CB 2.8Å; V485-L488 WeakPolarHBondContact O-CD1 3.34Å; V485-L488 WeakPolarHBondContact O-CG 3.4Å; V485-L488 PolarHBondContact O-N 3.21Å; L486-L488 PolarHBondContact O-N 2.94Å; L488-F490 HydrophobicContact CB-CE2 4.29Å; L488-F490 HydrophobicContact CB-CZ 4.15Å; L488-V503 HydrophobicContact CD1-CG2 4.09Å; L488-F506 HydrophobicContact CD1-CB 4.49Å; L488-F506 HydrophobicContact CD2-CD2 4.26Å; L488-L521 HydrophobicContact CB-CD2 4.5Å; L488-P525 HydrophobicContact CD2-CB 3.63Å; L488-P525 HydrophobicContact CD2-CG 3.56Å
489K90.5Very high91.4Very high115 Ų11556 Ų5650%0.530%0.296SS..  trans-95.4115.1176.3-55-53.3176.3-163.50110.1D487 L521 Q522D487-K489 WeakPolarHBondContact O-CE 3.33Å; D487-K489 PolarHBondContact O-N 3.42Å; D487-K489 VanDerWaalsContact O-N 3.15Å; K489-L521 CarbonylContact O-C 3.56Å; K489-L521 WeakPolarHBondContact O-CA 3.26Å; K489-Q522 HydrophobicContact CB-CB 4.09Å; K489-Q522 HydrophobicContact CB-CG 4.15Å; K489-Q522 PolarHBondContact O-N 3.31Å
490F91.2Very high91Very high41 Ų4157 Ų5718%0.1830%0.301CS..BIsolated β-bridgetrans-85.6143179.3-59.4-81.3000111.8L488 K499 A502 V503 I520 L521 Q522L488-F490 HydrophobicContact CB-CE2 4.29Å; L488-F490 HydrophobicContact CB-CZ 4.15Å; F490-K499 HydrophobicContact CB-CD 4.47Å; F490-K499 HydrophobicContact CB-CG 4.49Å; F490-K499 HydrophobicContact CD1-CB 4.02Å; F490-K499 HydrophobicContact CD1-CD 4.18Å; F490-K499 HydrophobicContact CD1-CG 3.63Å; F490-K499 HydrophobicContact CD2-CD 3.87Å; F490-K499 HydrophobicContact CD2-CG 4.24Å; F490-K499 HydrophobicContact CE1-CB 3.66Å; F490-K499 HydrophobicContact CE1-CD 4.42Å; F490-K499 HydrophobicContact CE1-CG 3.83Å; F490-K499 HydrophobicContact CE2-CB 4.47Å; F490-K499 HydrophobicContact CE2-CD 4.13Å; F490-K499 HydrophobicContact CE2-CG 4.41Å; F490-K499 HydrophobicContact CG-CD 3.89Å; F490-K499 HydrophobicContact CG-CG 3.84Å; F490-K499 HydrophobicContact CZ-CB 3.91Å; F490-K499 HydrophobicContact CZ-CD 4.39Å; F490-K499 HydrophobicContact CZ-CG 4.21Å; F490-A502 HydrophobicContact CE1-CB 4.11Å; F490-V503 HydrophobicContact CZ-CG2 4.03Å; F490-I520 WeakPolarHBondContact CA-O 3.48Å; F490-I520 HydrophobicContact CD1-CG2 4.26Å; F490-L521 HydrophobicContact CD1-CD2 3.8Å; F490-L521 HydrophobicContact CE1-CD2 3.87Å; F490-Q522 WeakPolarHBondContact O-CG 3.41Å; F490-Q522 PolarHBondContact O-NE2 3.17Å
491A90.7Very high90.6Very high28 Ų2859.2 Ų59.223%0.23132%0.315CS..PPolyproline II helixtrans-59.2153.8172.700000111G493 V494 I520A491-G493 PolarHBondContact O-N 2.93Å; A491-V494 HydrophobicContact CB-CG2 3.84Å; A491-V494 WeakPolarHBondContact O-CG2 2.89Å; A491-V494 PolarHBondContact O-N 3.43Å; A491-I520 PolarHBondContact N-O 3.43Å
492H89.5Confident90.3Very high193 Ų19358.4 Ų58.489%0.89431%0.311SS*.THydrogen-bonded Turntrans-62.1133.8-178.8-176.7-71.5000111.1V494H492-V494 VanDerWaalsContact C-N 3.34Å; H492-V494 PolarHBondContact O-N 3.02Å
493G89.1Confident90.1Very high67 Ų6758.2 Ų58.269%0.69131%0.311SS*.THydrogen-bonded Turntrans82.61.9175.500000115.8A491 K495A491-G493 PolarHBondContact O-N 2.93Å; G493-K495 PolarHBondContact O-N 3.28Å
494V89.4Confident89.8Confident29 Ų2957.1 Ų57.118%0.17630%0.302CS..  trans-62.6130.3176.9171.40000111.3A491 H492 D498 K499 I520A491-V494 HydrophobicContact CB-CG2 3.84Å; A491-V494 WeakPolarHBondContact O-CG2 2.89Å; A491-V494 PolarHBondContact O-N 3.43Å; H492-V494 VanDerWaalsContact C-N 3.34Å; H492-V494 PolarHBondContact O-N 3.02Å; V494-D498 HydrophobicContact CG1-CB 3.76Å; V494-K499 HydrophobicContact CG1-CG 3.67Å; V494-I520 HydrophobicContact CB-CG2 4.42Å; V494-I520 HydrophobicContact CG1-CG2 3.41Å; V494-I520 VanDerWaalsContact CG1-CG2 3.41Å; V494-I520 HydrophobicContact CG2-CG2 4.12Å
495K89.4Confident89.5Confident153 Ų15354.8 Ų54.867%0.66529%0.291SS*.  trans-74.6153.9-179.4-59.4175.5-178.9171.70111G493 A497 D498 K499G493-K495 PolarHBondContact O-N 3.28Å; K495-A497 VanDerWaalsContact C-N 3.28Å; K495-A497 PolarHBondContact O-N 2.84Å; K495-D498 WeakPolarHBondContact CB-OD2 3.14Å; K495-D498 WeakPolarHBondContact O-CB 3.27Å; K495-D498 PolarHBondContact O-N 3.46Å; K495-K499 PolarHBondContact O-N 3.31Å
496R88.2Confident89.4Confident55 Ų5554.9 Ų54.921%0.20829%0.29CS..Hα-helixtrans-55.4-38.7-179.8-67.6175.868.391-4.3113.6M300 E347 D498 K499 N500M300-R496 PolarHBondContact O-NH1 3.17Å; M300-R496 PolarHBondContact O-NH2 3.38Å; E347-R496 IonicContact OE1-CZ 3.82Å; E347-R496 VanDerWaalsContact OE1-CZ 3.26Å; E347-R496 IonicContact OE1-NE 3.65Å; E347-R496 PolarHBondContact OE1-NE 3.48Å; E347-R496 IonicContact OE1-NH2 3.23Å; E347-R496 PolarHBondContact OE1-NH2 3.02Å; R496-D498 VanDerWaalsContact C-N 3.34Å; R496-D498 PolarHBondContact O-N 3.47Å; R496-K499 PolarHBondContact O-N 3.31Å; R496-N500 VanDerWaalsContact O-CG 3.3Å; R496-N500 PolarHBondContact O-N 3.15Å; R496-N500 PolarHBondContact O-ND2 3.11Å
497A86.2Confident89.2Confident27 Ų2753.2 Ų53.222%0.22328%0.282CS..Hα-helixtrans-62.1-42.3176.600000112.1Y326 K495 N500 N501Y326-A497 HydrophobicContact CE2-CB 4.15Å; K495-A497 VanDerWaalsContact C-N 3.28Å; K495-A497 PolarHBondContact O-N 2.84Å; A497-N500 WeakPolarHBondContact O-CB 3.44Å; A497-N500 PolarHBondContact O-N 2.95Å; A497-N501 PolarHBondContact O-N 2.98Å; A497-N501 PolarHBondContact O-ND2 3.44Å
498D88.5Confident88.7Confident62 Ų6252.3 Ų52.333%0.33227%0.271SS..Hα-helixtrans-67.8-38177.7-58.4-40.5000111.3V494 K495 R496 N500 N501 A502 I520V494-D498 HydrophobicContact CG1-CB 3.76Å; K495-D498 WeakPolarHBondContact CB-OD2 3.14Å; K495-D498 WeakPolarHBondContact O-CB 3.27Å; K495-D498 PolarHBondContact O-N 3.46Å; R496-D498 VanDerWaalsContact C-N 3.34Å; R496-D498 PolarHBondContact O-N 3.47Å; D498-N500 PolarHBondContact O-N 3.22Å; D498-N501 PolarHBondContact O-N 3.49Å; D498-A502 PolarHBondContact O-N 2.76Å; D498-I520 HydrophobicContact CB-CD1 4.17Å; D498-I520 HydrophobicContact CB-CG2 4.2Å
499K90.8Very high87.7Confident66 Ų6652.6 Ų52.629%0.28727%0.274SS..Hα-helixtrans-59-45.7171.1-60.1-169.4179.2-1770111.6M300 F490 V494 K495 R496 N501 A502 V503M300-K499 HydrophobicContact CE-CB 3.75Å; M300-K499 HydrophobicContact SD-CB 4.23Å; F490-K499 HydrophobicContact CB-CD 4.47Å; F490-K499 HydrophobicContact CB-CG 4.49Å; F490-K499 HydrophobicContact CD1-CB 4.02Å; F490-K499 HydrophobicContact CD1-CD 4.18Å; F490-K499 HydrophobicContact CD1-CG 3.63Å; F490-K499 HydrophobicContact CD2-CD 3.87Å; F490-K499 HydrophobicContact CD2-CG 4.24Å; F490-K499 HydrophobicContact CE1-CB 3.66Å; F490-K499 HydrophobicContact CE1-CD 4.42Å; F490-K499 HydrophobicContact CE1-CG 3.83Å; F490-K499 HydrophobicContact CE2-CB 4.47Å; F490-K499 HydrophobicContact CE2-CD 4.13Å; F490-K499 HydrophobicContact CE2-CG 4.41Å; F490-K499 HydrophobicContact CG-CD 3.89Å; F490-K499 HydrophobicContact CG-CG 3.84Å; F490-K499 HydrophobicContact CZ-CB 3.91Å; F490-K499 HydrophobicContact CZ-CD 4.39Å; F490-K499 HydrophobicContact CZ-CG 4.21Å; V494-K499 HydrophobicContact CG1-CG 3.67Å; K495-K499 PolarHBondContact O-N 3.31Å; R496-K499 PolarHBondContact O-N 3.31Å; K499-N501 VanDerWaalsContact C-N 3.33Å; K499-N501 PolarHBondContact O-N 2.94Å; K499-A502 PolarHBondContact O-N 3.48Å; K499-V503 WeakPolarHBondContact O-CG2 3.46Å; K499-V503 PolarHBondContact O-N 3.2Å
500N89.3Confident86.2Confident20 Ų2052.3 Ų52.311%0.10728%0.282CS..Hα-helixtrans-61.1-42.3177.1-67.9-29.1000111.8M300 R322 R496 A497 D498 A502 V503 D504M300-N500 WeakPolarHBondContact CE-OD1 3.27Å; M300-N500 PolarHBondContact SD-OD1 2.89Å; R322-N500 WeakPolarHBondContact CD-OD1 3.31Å; R322-N500 VanDerWaalsContact CZ-OD1 3.23Å; R322-N500 VanDerWaalsContact NE-CG 3.32Å; R322-N500 PolarHBondContact NE-ND2 3.4Å; R322-N500 VanDerWaalsContact NE-ND2 3.11Å; R322-N500 PolarHBondContact NE-OD1 2.94Å; R322-N500 PolarHBondContact NH2-ND2 3.19Å; R496-N500 VanDerWaalsContact O-CG 3.3Å; R496-N500 PolarHBondContact O-N 3.15Å; R496-N500 PolarHBondContact O-ND2 3.11Å; A497-N500 WeakPolarHBondContact O-CB 3.44Å; A497-N500 PolarHBondContact O-N 2.95Å; D498-N500 PolarHBondContact O-N 3.22Å; N500-A502 VanDerWaalsContact C-N 3.34Å; N500-A502 PolarHBondContact O-N 2.87Å; N500-V503 PolarHBondContact O-N 3.06Å; N500-D504 WeakPolarHBondContact O-CB 3.46Å; N500-D504 PolarHBondContact O-N 2.9Å
501N87.2Confident84.6Confident72 Ų7255.1 Ų55.139%0.38530%0.303SS..Hα-helixtrans-63.5-39.6176.8-69.1-24.7000111.8A497 D498 K499 A505A497-N501 PolarHBondContact O-N 2.98Å; A497-N501 PolarHBondContact O-ND2 3.44Å; D498-N501 PolarHBondContact O-N 3.49Å; K499-N501 VanDerWaalsContact C-N 3.33Å; K499-N501 PolarHBondContact O-N 2.94Å; N501-A505 WeakPolarHBondContact O-CB 3.42Å; N501-A505 PolarHBondContact O-N 3.49Å
502A89Confident83.1Confident0 Ų059 Ų590%032%0.323CS..Hα-helixtrans-66.4-42175.700000112.4F490 D498 K499 N500 A505 F506 V517 I520 L521F490-A502 HydrophobicContact CE1-CB 4.11Å; D498-A502 PolarHBondContact O-N 2.76Å; K499-A502 PolarHBondContact O-N 3.48Å; N500-A502 VanDerWaalsContact C-N 3.34Å; N500-A502 PolarHBondContact O-N 2.87Å; A502-A505 PolarHBondContact O-N 3.28Å; A502-F506 WeakPolarHBondContact O-CB 3.44Å; A502-F506 PolarHBondContact O-N 2.87Å; A502-V517 HydrophobicContact CB-CB 4.12Å; A502-V517 HydrophobicContact CB-CG1 4.43Å; A502-V517 HydrophobicContact CB-CG2 4.27Å; A502-I520 HydrophobicContact CB-CB 4.44Å; A502-I520 HydrophobicContact CB-CG2 4.03Å; A502-L521 HydrophobicContact CB-CD2 4.24Å
503V90.9Very high82Confident15 Ų1554.1 Ų54.19%0.09130%0.3CS..Hα-helixtrans-63.1-47174.5170.60000111M300 R480 V485 L488 F490 K499 N500 A505 F506 V507M300-V503 HydrophobicContact CE-CG2 4.36Å; R480-V503 HydrophobicContact CG-CG1 3.78Å; V485-V503 HydrophobicContact CG1-CG1 3.82Å; V485-V503 HydrophobicContact CG1-CG2 4.36Å; L488-V503 HydrophobicContact CD1-CG2 4.09Å; F490-V503 HydrophobicContact CZ-CG2 4.03Å; K499-V503 WeakPolarHBondContact O-CG2 3.46Å; K499-V503 PolarHBondContact O-N 3.2Å; N500-V503 PolarHBondContact O-N 3.06Å; V503-A505 PolarHBondContact O-N 3.48Å; V503-F506 PolarHBondContact O-N 3.2Å; V503-V507 HydrophobicContact CG1-CG2 4.39Å; V503-V507 WeakPolarHBondContact O-CB 3.19Å; V503-V507 VanDerWaalsContact O-CG2 3.29Å; V503-V507 WeakPolarHBondContact O-CG2 3.06Å; V503-V507 PolarHBondContact O-N 2.94Å
504D88Confident81.1Confident39 Ų3951.1 Ų51.121%0.20927%0.268CS..Hα-helixtrans-63.8-40.9177.7-174.579.7000111.6N500 F506 V507 R508N500-D504 WeakPolarHBondContact O-CB 3.46Å; N500-D504 PolarHBondContact O-N 2.9Å; D504-F506 VanDerWaalsContact C-N 3.34Å; D504-F506 PolarHBondContact O-N 3.33Å; D504-V507 PolarHBondContact O-N 2.69Å; D504-R508 VanDerWaalsContact CG-NE 3.33Å; D504-R508 WeakPolarHBondContact O-CB 3.42Å; D504-R508 WeakPolarHBondContact O-CG 3.4Å; D504-R508 PolarHBondContact O-N 2.96Å; D504-R508 IonicContact OD1-CZ 2.81Å; D504-R508 IonicContact OD1-NE 2.85Å; D504-R508 PolarHBondContact OD1-NE 3.38Å; D504-R508 IonicContact OD1-NH2 3.72Å; D504-R508 WeakPolarHBondContact OD2-CD 3.38Å; D504-R508 IonicContact OD2-NE 2.69Å; D504-R508 PolarHBondContact OD2-NE 3.38Å; D504-R508 VanDerWaalsContact OD2-NE 3.13Å
505A85.9Confident80.3Confident10 Ų1054.9 Ų54.98%0.08328%0.283CS..Hα-helixtrans-59.2-44.6174.400000111.7N501 A502 V503 S509 V517N501-A505 WeakPolarHBondContact O-CB 3.42Å; N501-A505 PolarHBondContact O-N 3.49Å; A502-A505 PolarHBondContact O-N 3.28Å; V503-A505 PolarHBondContact O-N 3.48Å; A505-S509 WeakPolarHBondContact O-CB 3.11Å; A505-S509 PolarHBondContact O-N 3.08Å; A505-S509 PolarHBondContact O-OG 3.45Å; A505-V517 HydrophobicContact CB-CG1 4.11Å; A505-V517 HydrophobicContact CB-CG2 4.19Å
506F88.7Confident79.6Confident10 Ų1054.3 Ų54.34%0.04428%0.283CS..Hα-helixtrans-62-48.1175.3-174.6-83.3000111.8N484 V485 L488 A502 V503 D504 R508 L514 P525 L528N484-F506 HydrophobicContact CB-CZ 4.03Å; V485-F506 HydrophobicContact CG2-CD1 3.38Å; V485-F506 HydrophobicContact CG2-CE1 3.46Å; V485-F506 VanDerWaalsContact CG2-CE1 3.46Å; V485-F506 HydrophobicContact CG2-CG 4.4Å; L488-F506 HydrophobicContact CD1-CB 4.49Å; L488-F506 HydrophobicContact CD2-CD2 4.26Å; A502-F506 WeakPolarHBondContact O-CB 3.44Å; A502-F506 PolarHBondContact O-N 2.87Å; V503-F506 PolarHBondContact O-N 3.2Å; D504-F506 VanDerWaalsContact C-N 3.34Å; D504-F506 PolarHBondContact O-N 3.33Å; F506-R508 PolarHBondContact O-N 3.2Å; F506-L514 HydrophobicContact CB-CD2 3.92Å; F506-L514 HydrophobicContact CD2-CD1 4.1Å; F506-L514 HydrophobicContact CD2-CD2 3.81Å; F506-L514 HydrophobicContact CG-CD2 4.33Å; F506-P525 HydrophobicContact CD2-CB 4.16Å; F506-P525 HydrophobicContact CD2-CG 3.57Å; F506-P525 HydrophobicContact CE2-CB 3.74Å; F506-P525 HydrophobicContact CE2-CG 3.67Å; F506-L528 HydrophobicContact CE1-CD1 4.03Å; F506-L528 HydrophobicContact CE1-CD2 4.48Å; F506-L528 HydrophobicContact CE1-CG 3.82Å; F506-L528 HydrophobicContact CZ-CD2 4.35Å; F506-L528 HydrophobicContact CZ-CG 3.96Å
507V88.6Confident79.1Confident3 Ų352.3 Ų52.32%0.01828%0.277CS..Hα-helixtrans-68.5-34.8-176166.20000112.2N476 L479 R480 V485 V503 D504 R533N476-V507 HydrophobicContact CB-CG1 3.73Å; N476-V507 WeakPolarHBondContact O-CG1 3.41Å; L479-V507 HydrophobicContact CB-CB 4.35Å; L479-V507 HydrophobicContact CB-CG1 3.59Å; L479-V507 HydrophobicContact CB-CG2 4.01Å; L479-V507 HydrophobicContact CD1-CG1 3.96Å; L479-V507 HydrophobicContact CG-CG1 4.45Å; R480-V507 HydrophobicContact CG-CG2 3.97Å; V485-V507 HydrophobicContact CG2-CG2 4.14Å; V503-V507 HydrophobicContact CG1-CG2 4.39Å; V503-V507 WeakPolarHBondContact O-CB 3.19Å; V503-V507 VanDerWaalsContact O-CG2 3.29Å; V503-V507 WeakPolarHBondContact O-CG2 3.06Å; V503-V507 PolarHBondContact O-N 2.94Å; D504-V507 PolarHBondContact O-N 2.69Å; V507-R533 PolarHBondContact O-NH1 3.14Å
508R81.6Confident78.7Confident80 Ų8056.1 Ų56.130%0.30229%0.288SS..Hα-helixtrans-89.3-16.3-175.8-69.3-174.4-177-99.81.9115.1E472 N476 D504 F506E472-R508 IonicContact OE1-NH1 3.88Å; E472-R508 PolarHBondContact OE1-NH1 3.33Å; N476-R508 PolarHBondContact ND2-NH1 3.02Å; D504-R508 VanDerWaalsContact CG-NE 3.33Å; D504-R508 WeakPolarHBondContact O-CB 3.42Å; D504-R508 WeakPolarHBondContact O-CG 3.4Å; D504-R508 PolarHBondContact O-N 2.96Å; D504-R508 IonicContact OD1-CZ 2.81Å; D504-R508 IonicContact OD1-NE 2.85Å; D504-R508 PolarHBondContact OD1-NE 3.38Å; D504-R508 IonicContact OD1-NH2 3.72Å; D504-R508 WeakPolarHBondContact OD2-CD 3.38Å; D504-R508 IonicContact OD2-NE 2.69Å; D504-R508 PolarHBondContact OD2-NE 3.38Å; D504-R508 VanDerWaalsContact OD2-NE 3.13Å; F506-R508 PolarHBondContact O-N 3.2Å
509S69.9Low78.5Confident19 Ų1959.2 Ų59.213%0.13331%0.31CS..  trans-133153.2-153.2-40.20000116.8A505 K513A505-S509 WeakPolarHBondContact O-CB 3.11Å; A505-S509 PolarHBondContact O-N 3.08Å; A505-S509 PolarHBondContact O-OG 3.45Å; S509-K513 WeakPolarHBondContact OG-CD 3.38Å; S509-K513 WeakPolarHBondContact OG-CE 3.37Å; S509-K513 WeakPolarHBondContact OG-CG 3.36Å; S509-K513 PolarHBondContact OG-NZ 3.47Å
510T57.7Low78.3Confident110 Ų11057.2 Ų57.268%0.67530%0.302SS*.  trans-73.3163.9161.752.60000110.5V512 K513T510-V512 PolarHBondContact O-N 2.93Å; T510-K513 PolarHBondContact O-N 3.07Å
511T57.5Low78.2Confident99 Ų9956.7 Ų56.761%0.60730%0.299SS*.Hα-helixtrans-40.7-29.1-170.9-38.30000116.5L514 P527T511-L514 PolarHBondContact O-N 2.9Å; T511-P527 HydrophobicContact CG2-CG 4.3Å
512V59.5Low78.2Confident109 Ų10959.8 Ų59.866%0.66131%0.311SS*.Hα-helixtrans-61.7-46.6-177.1-177.10000112.7T510 L514 Q515T510-V512 PolarHBondContact O-N 2.93Å; V512-L514 VanDerWaalsContact C-N 3.33Å; V512-L514 PolarHBondContact O-N 2.82Å; V512-Q515 WeakPolarHBondContact O-CB 3.31Å; V512-Q515 PolarHBondContact O-N 2.89Å
513K67.2Low78Confident92 Ų9263.6 Ų63.640%0.434%0.338SS..Hα-helixtrans-74.5-24.4-177.2-60.7-152.7-155.3151.30113.5S509 T510 Q515 E516S509-K513 WeakPolarHBondContact OG-CD 3.38Å; S509-K513 WeakPolarHBondContact OG-CE 3.37Å; S509-K513 WeakPolarHBondContact OG-CG 3.36Å; S509-K513 PolarHBondContact OG-NZ 3.47Å; T510-K513 PolarHBondContact O-N 3.07Å; K513-Q515 PolarHBondContact O-N 3.45Å; K513-E516 WeakPolarHBondContact O-CB 3.37Å; K513-E516 PolarHBondContact O-N 2.88Å; K513-E516 VanDerWaalsContact O-N 3.14Å
514L70Confident77.5Confident4 Ų466.2 Ų66.22%0.02135%0.351CS..Hα-helixtrans-65.7-26.3175.3-77.1168.7000112F506 T511 V512 E516 V517 K518 L524 P525 P527F506-L514 HydrophobicContact CB-CD2 3.92Å; F506-L514 HydrophobicContact CD2-CD1 4.1Å; F506-L514 HydrophobicContact CD2-CD2 3.81Å; F506-L514 HydrophobicContact CG-CD2 4.33Å; T511-L514 PolarHBondContact O-N 2.9Å; V512-L514 VanDerWaalsContact C-N 3.33Å; V512-L514 PolarHBondContact O-N 2.82Å; L514-E516 VanDerWaalsContact C-N 3.3Å; L514-E516 PolarHBondContact O-N 3.46Å; L514-V517 HydrophobicContact CD2-CG2 4.27Å; L514-V517 WeakPolarHBondContact O-CG2 3.32Å; L514-V517 PolarHBondContact O-N 3.43Å; L514-K518 PolarHBondContact O-N 3.31Å; L514-L524 WeakPolarHBondContact O-CD2 3.43Å; L514-P525 HydrophobicContact CD2-CG 4.13Å; L514-P527 HydrophobicContact CD1-CB 3.89Å; L514-P527 HydrophobicContact CD1-CG 3.71Å
515Q72.6Confident77.2Confident107 Ų10765.6 Ų65.650%0.535%0.349SS..Hα-helixtrans-68.4-31.6175-157.170-10.100112.5V512 K513 V517 K518 L524V512-Q515 WeakPolarHBondContact O-CB 3.31Å; V512-Q515 PolarHBondContact O-N 2.89Å; K513-Q515 PolarHBondContact O-N 3.45Å; Q515-V517 VanDerWaalsContact C-N 3.25Å; Q515-V517 PolarHBondContact O-N 2.84Å; Q515-K518 VanDerWaalsContact O-CB 3.31Å; Q515-K518 WeakPolarHBondContact O-CB 3.23Å; Q515-K518 PolarHBondContact O-N 3.35Å; Q515-L524 VanDerWaalsContact OE1-CD1 3.31Å
516E74.6Confident77.1Confident141 Ų14170.6 Ų70.666%0.65938%0.379SS*.Hα-helixtrans-67.4-28.9179-59.5175.9168.800111.9K513 L514K513-E516 WeakPolarHBondContact O-CB 3.37Å; K513-E516 PolarHBondContact O-N 2.88Å; K513-E516 VanDerWaalsContact O-N 3.14Å; L514-E516 VanDerWaalsContact C-N 3.3Å; L514-E516 PolarHBondContact O-N 3.46Å
517V76.7Confident76.9Confident14 Ų1471.9 Ų71.99%0.08539%0.388CS..THydrogen-bonded Turntrans-102.211.9179.9-61.40000113A502 A505 L514 Q515 T519 I520 L521A502-V517 HydrophobicContact CB-CB 4.12Å; A502-V517 HydrophobicContact CB-CG1 4.43Å; A502-V517 HydrophobicContact CB-CG2 4.27Å; A505-V517 HydrophobicContact CB-CG1 4.11Å; A505-V517 HydrophobicContact CB-CG2 4.19Å; L514-V517 HydrophobicContact CD2-CG2 4.27Å; L514-V517 WeakPolarHBondContact O-CG2 3.32Å; L514-V517 PolarHBondContact O-N 3.43Å; Q515-V517 VanDerWaalsContact C-N 3.25Å; Q515-V517 PolarHBondContact O-N 2.84Å; V517-T519 PolarHBondContact O-N 2.79Å; V517-I520 HydrophobicContact CB-CB 4.48Å; V517-I520 HydrophobicContact CB-CD1 3.9Å; V517-I520 HydrophobicContact CB-CG1 4.32Å; V517-I520 HydrophobicContact CG1-CD1 3.9Å; V517-I520 VanDerWaalsContact O-CB 3.25Å; V517-I520 WeakPolarHBondContact O-CB 2.96Å; V517-I520 PolarHBondContact O-N 2.95Å; V517-L521 HydrophobicContact CG2-CD1 4.34Å; V517-L521 PolarHBondContact O-N 2.72Å
518K79.3Confident76.8Confident106 Ų10673.3 Ų73.346%0.46140%0.396SS..THydrogen-bonded Turntrans-56.4-36.3-177.5-175.4177.4-174.8-179.80113.2L514 Q515 I520 L521 L524L514-K518 PolarHBondContact O-N 3.31Å; Q515-K518 VanDerWaalsContact O-CB 3.31Å; Q515-K518 WeakPolarHBondContact O-CB 3.23Å; Q515-K518 PolarHBondContact O-N 3.35Å; K518-I520 PolarHBondContact O-N 2.9Å; K518-L521 PolarHBondContact O-N 2.92Å; K518-L524 HydrophobicContact CB-CD2 3.88Å; K518-L524 HydrophobicContact CD-CD1 3.85Å; K518-L524 HydrophobicContact CD-CD2 4.31Å; K518-L524 HydrophobicContact CD-CG 4.14Å; K518-L524 HydrophobicContact CG-CD1 4.18Å; K518-L524 HydrophobicContact CG-CD2 3.81Å; K518-L524 HydrophobicContact CG-CG 3.89Å
519T83.3Confident77.1Confident127 Ų12772 Ų7278%0.77940%0.399SS*.THydrogen-bonded Turntrans-72-16.9179.655.30000113.1V517V517-T519 PolarHBondContact O-N 2.79Å
520I86.8Confident78Confident24 Ų2474.6 Ų74.612%0.12342%0.421CS..THydrogen-bonded Turntrans-85.6-24.3-179.9-50.3-177.7000110.5F490 A491 V494 D498 A502 V517 K518F490-I520 WeakPolarHBondContact CA-O 3.48Å; F490-I520 HydrophobicContact CD1-CG2 4.26Å; A491-I520 PolarHBondContact N-O 3.43Å; V494-I520 HydrophobicContact CB-CG2 4.42Å; V494-I520 HydrophobicContact CG1-CG2 3.41Å; V494-I520 VanDerWaalsContact CG1-CG2 3.41Å; V494-I520 HydrophobicContact CG2-CG2 4.12Å; D498-I520 HydrophobicContact CB-CD1 4.17Å; D498-I520 HydrophobicContact CB-CG2 4.2Å; A502-I520 HydrophobicContact CB-CB 4.44Å; A502-I520 HydrophobicContact CB-CG2 4.03Å; V517-I520 HydrophobicContact CB-CB 4.48Å; V517-I520 HydrophobicContact CB-CD1 3.9Å; V517-I520 HydrophobicContact CB-CG1 4.32Å; V517-I520 HydrophobicContact CG1-CD1 3.9Å; V517-I520 VanDerWaalsContact O-CB 3.25Å; V517-I520 WeakPolarHBondContact O-CB 2.96Å; V517-I520 PolarHBondContact O-N 2.95Å; K518-I520 PolarHBondContact O-N 2.9Å
521L86.5Confident79.6Confident10 Ų1076.3 Ų76.35%0.05242%0.422CS..BIsolated β-bridgetrans-106.2146.6-175.4-58.2175000110.8L488 K489 F490 A502 V517 K518 S523 P525L488-L521 HydrophobicContact CB-CD2 4.5Å; K489-L521 CarbonylContact O-C 3.56Å; K489-L521 WeakPolarHBondContact O-CA 3.26Å; F490-L521 HydrophobicContact CD1-CD2 3.8Å; F490-L521 HydrophobicContact CE1-CD2 3.87Å; A502-L521 HydrophobicContact CB-CD2 4.24Å; V517-L521 HydrophobicContact CG2-CD1 4.34Å; V517-L521 PolarHBondContact O-N 2.72Å; K518-L521 PolarHBondContact O-N 2.92Å; L521-S523 VanDerWaalsContact C-N 3.3Å; L521-S523 WeakPolarHBondContact CB-O 3.5Å; L521-P525 HydrophobicContact CD1-CG 4.13Å
522Q88.3Confident81.3Confident136 Ų13675.8 Ų75.864%0.63641%0.413SS*.SBendtrans-69.6-33.5174-64-178.32.600111.5K489 F490K489-Q522 HydrophobicContact CB-CB 4.09Å; K489-Q522 HydrophobicContact CB-CG 4.15Å; K489-Q522 PolarHBondContact O-N 3.31Å; F490-Q522 WeakPolarHBondContact O-CG 3.41Å; F490-Q522 PolarHBondContact O-NE2 3.17Å
523S84.3Confident82.9Confident80 Ų8074 Ų7456%0.55939%0.394SS*.SBendtrans-142.2149175.656.60000109.6L521 P525L521-S523 VanDerWaalsContact C-N 3.3Å; L521-S523 WeakPolarHBondContact CB-O 3.5Å; S523-P525 WeakPolarHBondContact O-CD 3.43Å
524L80.5Confident84.1Confident71 Ų7178 Ų7837%0.37241%0.407SS..PPolyproline II helixtrans-70.4120.7172.2-76.4168.5000108.6L514 Q515 K518L514-L524 WeakPolarHBondContact O-CD2 3.43Å; Q515-L524 VanDerWaalsContact OE1-CD1 3.31Å; K518-L524 HydrophobicContact CB-CD2 3.88Å; K518-L524 HydrophobicContact CD-CD1 3.85Å; K518-L524 HydrophobicContact CD-CD2 4.31Å; K518-L524 HydrophobicContact CD-CG 4.14Å; K518-L524 HydrophobicContact CG-CD1 4.18Å; K518-L524 HydrophobicContact CG-CD2 3.81Å; K518-L524 HydrophobicContact CG-CG 3.89Å
525P82.4Confident85.3Confident26 Ų2684 Ų8417%0.16943%0.434CS..PPolyproline II helixtrans-74.4151.3176.934.7-38.5000109.7L488 F506 L514 L521 S523 P527L488-P525 HydrophobicContact CD2-CB 3.63Å; L488-P525 HydrophobicContact CD2-CG 3.56Å; F506-P525 HydrophobicContact CD2-CB 4.16Å; F506-P525 HydrophobicContact CD2-CG 3.57Å; F506-P525 HydrophobicContact CE2-CB 3.74Å; F506-P525 HydrophobicContact CE2-CG 3.67Å; L514-P525 HydrophobicContact CD2-CG 4.13Å; L521-P525 HydrophobicContact CD1-CG 4.13Å; S523-P525 WeakPolarHBondContact O-CD 3.43Å; P525-P527 WeakPolarHBondContact O-CD 3.36Å
526T83.2Confident86.4Confident114 Ų11481.3 Ų81.370%0.69942%0.419SS*.PPolyproline II helixtrans-67.4122.4169.3-56.30000108.5
527P84.1Confident87.4Confident37 Ų3775.6 Ų75.624%0.2439%0.393CS..PPolyproline II helixtrans-61.4147.2176.5-11.621.9000110.5T511 L514 P525 S529T511-P527 HydrophobicContact CG2-CG 4.3Å; L514-P527 HydrophobicContact CD1-CB 3.89Å; L514-P527 HydrophobicContact CD1-CG 3.71Å; P525-P527 WeakPolarHBondContact O-CD 3.36Å; P527-S529 PolarHBondContact O-N 3.42Å
528L86.6Confident88.3Confident34 Ų3478.3 Ų78.318%0.17841%0.413CS..PPolyproline II helixtrans-63.5128172.1-60.8178000110L479 H482 N484 F506 E532L479-L528 HydrophobicContact CD2-CD1 4.01Å; H482-L528 VanDerWaalsContact CE1-CD2 3.42Å; H482-L528 WeakPolarHBondContact CE1-CD2 2.93Å; N484-L528 HydrophobicContact CB-CD2 4.25Å; F506-L528 HydrophobicContact CE1-CD1 4.03Å; F506-L528 HydrophobicContact CE1-CD2 4.48Å; F506-L528 HydrophobicContact CE1-CG 3.82Å; F506-L528 HydrophobicContact CZ-CD2 4.35Å; F506-L528 HydrophobicContact CZ-CG 3.96Å; L528-E532 HydrophobicContact CB-CB 4.46Å; L528-E532 HydrophobicContact CD2-CB 4.43Å
529S88.4Confident89.2Confident52 Ų5275.8 Ų75.836%0.36441%0.406SS..PPolyproline II helixtrans-62.1158.5168.768.40000110.7P527 Q531 E532 R533P527-S529 PolarHBondContact O-N 3.42Å; S529-Q531 PolarHBondContact O-N 2.83Å; S529-Q531 VanDerWaalsContact O-N 3.13Å; S529-E532 WeakPolarHBondContact CB-OE2 3.41Å; S529-E532 PolarHBondContact N-OE2 3.49Å; S529-E532 PolarHBondContact O-N 3.44Å; S529-E532 WeakPolarHBondContact OG-CB 3.48Å; S529-E532 VanDerWaalsContact OG-CD 3.3Å; S529-E532 VanDerWaalsContact OG-CG 3.28Å; S529-E532 WeakPolarHBondContact OG-CG 3.44Å; S529-E532 PolarHBondContact OG-N 3.3Å; S529-E532 VanDerWaalsContact OG-N 3.13Å; S529-E532 PolarHBondContact OG-OE2 2.89Å; S529-R533 WeakPolarHBondContact O-CB 3.19Å; S529-R533 PolarHBondContact O-N 3.15Å
530A88.8Confident89.9Confident74 Ų7469.9 Ų69.961%0.61237%0.37SS*.Hα-helixtrans-59.9-24.8175.400000112.8R534A530-R534 WeakPolarHBondContact O-CB 3.43Å; A530-R534 VanDerWaalsContact O-CG 3.24Å; A530-R534 WeakPolarHBondContact O-CG 3.38Å; A530-R534 PolarHBondContact O-N 3.19Å; A530-R534 PolarHBondContact O-NE 3.45Å
531Q92Very high90.4Very high146 Ų14673.7 Ų73.768%0.68239%0.387SS*.Hα-helixtrans-77.3-47.9175.6-176.2173.9-4.400111.6S529 R533 R534 H535S529-Q531 PolarHBondContact O-N 2.83Å; S529-Q531 VanDerWaalsContact O-N 3.13Å; Q531-R533 VanDerWaalsContact C-N 3.33Å; Q531-R533 PolarHBondContact O-N 3.48Å; Q531-R534 PolarHBondContact O-N 3.05Å; Q531-H535 WeakPolarHBondContact O-CB 3.32Å; Q531-H535 PolarHBondContact O-N 2.71Å
532E92.1Very high90.9Very high88 Ų8874.5 Ų74.541%0.41140%0.398SS..Hα-helixtrans-59.6-45.1176.2-71.6160.8136.700111L528 S529 R534 H535 W536L528-E532 HydrophobicContact CB-CB 4.46Å; L528-E532 HydrophobicContact CD2-CB 4.43Å; S529-E532 WeakPolarHBondContact CB-OE2 3.41Å; S529-E532 PolarHBondContact N-OE2 3.49Å; S529-E532 PolarHBondContact O-N 3.44Å; S529-E532 WeakPolarHBondContact OG-CB 3.48Å; S529-E532 VanDerWaalsContact OG-CD 3.3Å; S529-E532 VanDerWaalsContact OG-CG 3.28Å; S529-E532 WeakPolarHBondContact OG-CG 3.44Å; S529-E532 PolarHBondContact OG-N 3.3Å; S529-E532 VanDerWaalsContact OG-N 3.13Å; S529-E532 PolarHBondContact OG-OE2 2.89Å; E532-R534 PolarHBondContact O-N 3.08Å; E532-H535 PolarHBondContact O-N 2.95Å; E532-W536 WeakPolarHBondContact O-CB 3.41Å; E532-W536 PolarHBondContact O-N 2.82Å
533R92.7Very high91.3Very high70 Ų7068 Ų6826%0.26437%0.367SS..Hα-helixtrans-57.5-49.4175.2-173-169.1177.793.42.1111.4L479 V507 S529 Q531 H535 W536 L537L479-R533 HydrophobicContact CD1-CG 4.29Å; L479-R533 VanDerWaalsContact CD1-NH1 3.26Å; L479-R533 HydrophobicContact CD2-CG 4.01Å; V507-R533 PolarHBondContact O-NH1 3.14Å; S529-R533 WeakPolarHBondContact O-CB 3.19Å; S529-R533 PolarHBondContact O-N 3.15Å; Q531-R533 VanDerWaalsContact C-N 3.33Å; Q531-R533 PolarHBondContact O-N 3.48Å; R533-H535 VanDerWaalsContact C-N 3.34Å; R533-H535 PolarHBondContact O-N 2.94Å; R533-W536 PolarHBondContact O-N 3.19Å; R533-L537 HydrophobicContact CG-CD1 4.03Å; R533-L537 HydrophobicContact CG-CG 4.45Å; R533-L537 WeakPolarHBondContact O-CB 3.38Å; R533-L537 VanDerWaalsContact O-CG 3.27Å; R533-L537 WeakPolarHBondContact O-CG 3.44Å; R533-L537 PolarHBondContact O-N 3.4Å
534R92.5Very high92Very high178 Ų17864.3 Ų64.367%0.67234%0.341SS*.Hα-helixtrans-63-41.2179.4-79.2-174.2-62.6169.63.2112A530 Q531 E532 S538A530-R534 WeakPolarHBondContact O-CB 3.43Å; A530-R534 VanDerWaalsContact O-CG 3.24Å; A530-R534 WeakPolarHBondContact O-CG 3.38Å; A530-R534 PolarHBondContact O-N 3.19Å; A530-R534 PolarHBondContact O-NE 3.45Å; Q531-R534 PolarHBondContact O-N 3.05Å; E532-R534 PolarHBondContact O-N 3.08Å; R534-S538 WeakPolarHBondContact O-CB 3.37Å; R534-S538 PolarHBondContact O-N 3.29Å
535H95.6Very high92.9Very high129 Ų12960.9 Ų60.960%0.59732%0.324SS*.Hα-helixtrans-63-48.7177.3-178.561.7000111Q531 E532 R533 L537 S538Q531-H535 WeakPolarHBondContact O-CB 3.32Å; Q531-H535 PolarHBondContact O-N 2.71Å; E532-H535 PolarHBondContact O-N 2.95Å; R533-H535 VanDerWaalsContact C-N 3.34Å; R533-H535 PolarHBondContact O-N 2.94Å; H535-L537 PolarHBondContact O-N 2.75Å; H535-S538 WeakPolarHBondContact O-CB 3.48Å; H535-S538 PolarHBondContact O-N 3.17Å; H535-S538 VanDerWaalsContact O-N 3.12Å; H535-S538 PolarHBondContact O-OG 2.87Å
536W95.9Very high93.7Very high50 Ų5059.8 Ų59.819%0.18932%0.317CS..Hα-helixtrans-61.2-44.6177.7-173.8-102.3000112.6W478 L479 F481 H482 E532 R533 S538 T539W478-W536 AromaticContact CD1-CD1 3.6Å; W478-W536 AromaticContact CD1-NE1 3.5Å; W478-W536 AromaticContact CE2-NE1 3.94Å; W478-W536 AromaticContact CG-NE1 3.97Å; W478-W536 HydrophobicContact CZ2-CZ2 4.23Å; W478-W536 AromaticContact NE1-CD1 3.75Å; W478-W536 AromaticContact NE1-CE2 3.87Å; W478-W536 AromaticContact NE1-NE1 3.47Å; W478-W536 PolarHBondContact NE1-O 3.2Å; W478-W536 PolarHBondContact O-NE1 2.76Å; L479-W536 HydrophobicContact CD2-CG 4.45Å; F481-W536 VanDerWaalsContact C-CZ2 3.47Å; F481-W536 HydrophobicContact CB-CZ2 4.02Å; F481-W536 VanDerWaalsContact O-CZ2 3.29Å; F481-W536 WeakPolarHBondContact O-CZ2 3.19Å; H482-W536 HydrophobicContact CB-CD2 4.21Å; H482-W536 HydrophobicContact CB-CG 4.43Å; H482-W536 HydrophobicContact CB-CZ2 4.38Å; H482-W536 AromaticContact CD2-CD2 3.55Å; H482-W536 AromaticContact CD2-CE3 3.82Å; H482-W536 AromaticContact CD2-CG 3.53Å; E532-W536 WeakPolarHBondContact O-CB 3.41Å; E532-W536 PolarHBondContact O-N 2.82Å; R533-W536 PolarHBondContact O-N 3.19Å; W536-S538 PolarHBondContact O-N 2.88Å; W536-T539 PolarHBondContact O-N 3.44Å; W536-T539 VanDerWaalsContact O-N 3.15Å; W536-T539 PolarHBondContact O-OG1 3.45Å
537L95.8Very high94.4Very high22 Ų2254.4 Ų54.412%0.11528%0.283CS..Hα-helixtrans-63.6-30.2177.1-69.3177.4000112.4E475 L479 R533 H535 T539 L540E475-L537 HydrophobicContact CB-CD1 4.28Å; E475-L537 HydrophobicContact CB-CD2 3.71Å; E475-L537 HydrophobicContact CG-CD1 4.14Å; E475-L537 HydrophobicContact CG-CD2 3.86Å; L479-L537 HydrophobicContact CD1-CD2 4.05Å; L479-L537 HydrophobicContact CD2-CD2 4.3Å; L479-L537 HydrophobicContact CD2-CG 4.45Å; L479-L537 HydrophobicContact CG-CD2 3.8Å; L479-L537 HydrophobicContact CG-CG 4.41Å; R533-L537 HydrophobicContact CG-CD1 4.03Å; R533-L537 HydrophobicContact CG-CG 4.45Å; R533-L537 WeakPolarHBondContact O-CB 3.38Å; R533-L537 VanDerWaalsContact O-CG 3.27Å; R533-L537 WeakPolarHBondContact O-CG 3.44Å; R533-L537 PolarHBondContact O-N 3.4Å; H535-L537 PolarHBondContact O-N 2.75Å; L537-T539 PolarHBondContact O-N 3.2Å; L537-L540 WeakPolarHBondContact O-CB 3.32Å; L537-L540 PolarHBondContact O-N 3.34Å
538S96.3Very high95.1Very high70 Ų7052.6 Ų52.649%0.4927%0.272SS..Hα-helixtrans-70.5-13.8177.375.80000114.4R534 H535 W536 L540 H541R534-S538 WeakPolarHBondContact O-CB 3.37Å; R534-S538 PolarHBondContact O-N 3.29Å; H535-S538 WeakPolarHBondContact O-CB 3.48Å; H535-S538 PolarHBondContact O-N 3.17Å; H535-S538 VanDerWaalsContact O-N 3.12Å; H535-S538 PolarHBondContact O-OG 2.87Å; W536-S538 PolarHBondContact O-N 2.88Å; S538-L540 VanDerWaalsContact C-N 3.34Å; S538-H541 PolarHBondContact O-CE1 3.14Å; S538-H541 PolarHBondContact O-NE2 3.22Å
539T97.6Very high95.6Very high53 Ų5351.1 Ų51.133%0.32526%0.264SS..THydrogen-bonded Turntrans-85.2-7.9175.871.80000113.1W478 W536 L537 H541W478-T539 PolarHBondContact NE1-OG1 2.88Å; W536-T539 PolarHBondContact O-N 3.44Å; W536-T539 VanDerWaalsContact O-N 3.15Å; W536-T539 PolarHBondContact O-OG1 3.45Å; L537-T539 PolarHBondContact O-N 3.2Å; T539-H541 PolarHBondContact O-CD2 3.07Å; T539-H541 PolarHBondContact O-N 3.01Å
540L97.7Very high96.1Very high3 Ų352.6 Ų52.62%0.01626%0.264CS..  trans-73.7119.4173.5-177.459.4000109.4K449 W477 W478 L537 S538 V543 T563 G564K449-L540 HydrophobicContact CD-CD1 4.1Å; W477-L540 HydrophobicContact CZ3-CD1 4.12Å; W478-L540 HydrophobicContact CB-CD1 4.47Å; W478-L540 HydrophobicContact CB-CD2 4.04Å; W478-L540 HydrophobicContact CD2-CB 4.27Å; W478-L540 HydrophobicContact CD2-CD1 3.85Å; W478-L540 HydrophobicContact CE3-CD1 4.01Å; W478-L540 HydrophobicContact CG-CB 4.02Å; W478-L540 HydrophobicContact CG-CD1 4.07Å; W478-L540 HydrophobicContact CG-CD2 4.16Å; W478-L540 HydrophobicContact CG-CG 4.3Å; L537-L540 WeakPolarHBondContact O-CB 3.32Å; L537-L540 PolarHBondContact O-N 3.34Å; S538-L540 VanDerWaalsContact C-N 3.34Å; L540-V543 HydrophobicContact CD1-CG2 3.86Å; L540-V543 HydrophobicContact CD2-CG2 4.05Å; L540-V543 HydrophobicContact CG-CG2 3.75Å; L540-T563 HydrophobicContact CD2-CG2 4.03Å; L540-T563 WeakPolarHBondContact CD2-O 3.48Å; L540-G564 WeakPolarHBondContact O-CA 3.38Å
541H96.8Very high96.5Very high104 Ų10449.2 Ų49.248%0.48124%0.236SC..  trans-135.8167.7178.6-56.3-58.1000111.3K449 S538 T539 V543K449-H541 WeakPolarHBondContact CE-O 3.46Å; K449-H541 PolarHBondContact NZ-O 2.76Å; S538-H541 PolarHBondContact O-CE1 3.14Å; S538-H541 PolarHBondContact O-NE2 3.22Å; T539-H541 PolarHBondContact O-CD2 3.07Å; T539-H541 PolarHBondContact O-N 3.01Å; H541-V543 PolarHBondContact O-N 2.72Å
542G96.5Very high96.7Very high27 Ų2744 Ų4428%0.27822%0.215SC..  trans65.336.8175.600000113.2G564G542-G564 PolarHBondContact N-O 3.08Å
543V98.7Very high97Very high0 Ų046.3 Ų46.30%022%0.224CC..EExtended strand (participates in β ladder)trans-92.5133.9175.3-1780000109.4L447 K449 I454 L540 H541 G564 V565 Q566 S567L447-V543 HydrophobicContact CB-CG1 3.88Å; L447-V543 HydrophobicContact CD2-CG1 3.91Å; L447-V543 HydrophobicContact CG-CG1 4.21Å; K449-V543 HydrophobicContact CD-CG2 4.24Å; I454-V543 HydrophobicContact CD1-CG1 3.85Å; I454-V543 HydrophobicContact CD1-CG2 3.93Å; L540-V543 HydrophobicContact CD1-CG2 3.86Å; L540-V543 HydrophobicContact CD2-CG2 4.05Å; L540-V543 HydrophobicContact CG-CG2 3.75Å; H541-V543 PolarHBondContact O-N 2.72Å; V543-G564 WeakPolarHBondContact CB-O 3.48Å; V543-G564 PolarHBondContact N-O 3.08Å; V543-G564 VanDerWaalsContact N-O 3.15Å; V543-V565 HydrophobicContact CB-CG2 4.23Å; V543-V565 HydrophobicContact CG1-CG2 4.01Å; V543-V565 WeakPolarHBondContact O-CA 3.34Å; V543-Q566 PolarHBondContact O-N 3.48Å; V543-S567 PolarHBondContact O-N 2.65Å
544S98.8Very high97.2Very high2 Ų245.5 Ų45.51%0.01423%0.226CC..EExtended strand (participates in β ladder)trans-100.3138.9172.3-63.90000109.9D429 L447 A448 S567D429-S544 WeakPolarHBondContact CB-OG 3.28Å; L447-S544 CarbonylContact C-O 3.47Å; L447-S544 VanDerWaalsContact CA-O 3.29Å; L447-S544 WeakPolarHBondContact CA-O 3.49Å; A448-S544 PolarHBondContact N-O 3.18Å; A448-S544 PolarHBondContact O-N 2.93Å; S544-S567 CarbonylContact C-O 3.58Å; S544-S567 WeakPolarHBondContact CA-O 3.43Å; S544-S567 VanDerWaalsContact CA-OG 3.29Å; S544-S567 WeakPolarHBondContact CA-OG 3.3Å; S544-S567 WeakPolarHBondContact CB-OG 3.39Å; S544-S567 PolarHBondContact OG-OG 2.95Å
545L98.8Very high97.5Very high0 Ų039.4 Ų39.40%021%0.207CC..EExtended strand (participates in β ladder)trans-121.2135.8177.3-177.3152.4000110.6L430 V445 C446 L447 F551 S560 V565 S567 I568 L569L430-L545 WeakPolarHBondContact CD2-O 3.34Å; V445-L545 HydrophobicContact CG1-CD1 3.83Å; V445-L545 HydrophobicContact CG1-CD2 4Å; V445-L545 HydrophobicContact CG1-CG 3.9Å; C446-L545 CarbonylContact O-C 3.58Å; C446-L545 WeakPolarHBondContact O-CA 3.4Å; L447-L545 HydrophobicContact CD1-CD1 3.93Å; L447-L545 HydrophobicContact CD1-CG 4.4Å; L447-L545 HydrophobicContact CG-CB 4.39Å; L447-L545 HydrophobicContact CG-CD1 4.02Å; L447-L545 HydrophobicContact CG-CG 4.31Å; L545-F551 HydrophobicContact CD2-CE2 4.33Å; L545-F551 HydrophobicContact CD2-CZ 3.67Å; L545-S560 WeakPolarHBondContact CD1-OG 3.32Å; L545-V565 HydrophobicContact CB-CG1 3.86Å; L545-V565 HydrophobicContact CB-CG2 4.23Å; L545-V565 HydrophobicContact CD1-CG2 4.38Å; L545-S567 PolarHBondContact N-O 3.48Å; L545-I568 HydrophobicContact CB-CG1 4.31Å; L545-I568 HydrophobicContact CD2-CG2 4.38Å; L545-I568 CarbonylContact O-C 3.4Å; L545-I568 VanDerWaalsContact O-CA 3.29Å; L545-I568 WeakPolarHBondContact O-CA 3.3Å; L545-L569 PolarHBondContact O-N 3.48Å
546C98.8Very high97.6Very high3 Ų333.2 Ų33.22%0.0218%0.179CC..EExtended strand (participates in β ladder)trans-121.2141.9167-172.30000111.4A433 A434 V445 C446 L569A433-C546 HydrophobicContact CB-CB 3.57Å; A434-C546 VanDerWaalsContact CA-SG 3.6Å; V445-C546 WeakPolarHBondContact CA-O 3.24Å; C446-C546 PolarHBondContact N-O 2.72Å; C446-C546 PolarHBondContact O-N 3.44Å; C546-L569 VanDerWaalsContact CA-O 3.29Å; C546-L569 WeakPolarHBondContact CA-O 3.43Å; C546-L569 HydrophobicContact CB-CB 4.47Å; C546-L569 PolarHBondContact SG-O 3.22Å
547S98.7Very high97.7Very high0 Ų030.9 Ų30.90%017%0.17CC..EExtended strand (participates in β ladder)trans-122134.5174.4178.20000109.9R463 G549 L569 P571R463-S547 WeakPolarHBondContact CD-OG 3.5Å; R463-S547 VanDerWaalsContact CZ-OG 3.26Å; R463-S547 PolarHBondContact NE-OG 2.7Å; R463-S547 PolarHBondContact NH1-OG 3.49Å; S547-G549 WeakPolarHBondContact CB-O 3.23Å; S547-G549 PolarHBondContact O-N 2.98Å; S547-G549 PolarHBondContact OG-O 3.28Å; S547-L569 PolarHBondContact N-O 3.01Å; S547-L569 VanDerWaalsContact N-O 3.14Å; S547-P571 WeakPolarHBondContact O-CD 3.15Å
548D98.4Very high97.7Very high0 Ų033.6 Ų33.60%018%0.184CC..SBendtrans-68.9-15.2-179.566.3-3.1000114.6V437 S442 N443 S444 R463 R597 L598 F599V437-D548 HydrophobicContact CB-CB 4.29Å; V437-D548 HydrophobicContact CG2-CB 4.38Å; S442-D548 WeakPolarHBondContact CB-OD2 3.45Å; S442-D548 PolarHBondContact OG-OD2 3.01Å; N443-D548 WeakPolarHBondContact CA-OD2 3.48Å; S444-D548 VanDerWaalsContact N-CG 3.27Å; S444-D548 PolarHBondContact N-OD1 3.22Å; S444-D548 PolarHBondContact N-OD2 2.9Å; S444-D548 PolarHBondContact O-N 2.57Å; S444-D548 VanDerWaalsContact O-N 3.14Å; S444-D548 WeakPolarHBondContact OG-CB 3.4Å; S444-D548 VanDerWaalsContact OG-CG 3.31Å; S444-D548 PolarHBondContact OG-OD2 2.82Å; R463-D548 IonicContact CZ-OD1 3.34Å; R463-D548 IonicContact NH1-OD1 3.13Å; R463-D548 PolarHBondContact NH1-OD1 3.3Å; R463-D548 IonicContact NH2-OD1 3.25Å; R463-D548 PolarHBondContact NH2-OD1 3.28Å; D548-R597 WeakPolarHBondContact O-CG 3.37Å; D548-L598 HydrophobicContact CB-CB 3.93Å; D548-L598 PolarHBondContact O-N 3.29Å; D548-F599 HydrophobicContact CB-CD1 4.49Å
549G97.9Very high97.8Very high2 Ų232.2 Ų32.22%0.02117%0.168CC..SBendtrans-143.5165176.500000111.8S547 V570S547-G549 WeakPolarHBondContact CB-O 3.23Å; S547-G549 PolarHBondContact O-N 2.98Å; S547-G549 PolarHBondContact OG-O 3.28Å; G549-V570 WeakPolarHBondContact O-CG2 3.4Å
550F97.8Very high97.9Very high83 Ų8329.8 Ų29.836%0.36415%0.153SC..  trans-58.8156.9-175.466.4-104.3000113.5P571F550-P571 VanDerWaalsContact CA-O 3.29Å; F550-P571 WeakPolarHBondContact CA-O 3.32Å; F550-P571 WeakPolarHBondContact CB-O 3.33Å
551F97.9Very high97.8Very high3 Ų331.9 Ų31.91%0.01316%0.164CC..  trans-86.1122.2171.6-68.9-41.4000111.2R463 V467 L545 C556 I557 I568 V570 S574 I580R463-F551 HydrophobicContact CG-CD1 3.65Å; R463-F551 HydrophobicContact CG-CE1 4.1Å; V467-F551 HydrophobicContact CG2-CE1 3.72Å; V467-F551 HydrophobicContact CG2-CZ 4.31Å; L545-F551 HydrophobicContact CD2-CE2 4.33Å; L545-F551 HydrophobicContact CD2-CZ 3.67Å; F551-C556 HydrophobicContact CB-CB 4.19Å; F551-C556 HydrophobicContact CD1-CB 3.48Å; F551-C556 VanDerWaalsContact CD1-CB 3.48Å; F551-C556 HydrophobicContact CD2-CB 4.16Å; F551-C556 HydrophobicContact CE1-CB 3.8Å; F551-C556 HydrophobicContact CE2-CB 4.4Å; F551-C556 HydrophobicContact CG-CB 3.69Å; F551-C556 HydrophobicContact CZ-CB 4.25Å; F551-I557 HydrophobicContact CD2-CD1 3.75Å; F551-I557 HydrophobicContact CE2-CD1 3.89Å; F551-I568 HydrophobicContact CE2-CG2 3.75Å; F551-V570 HydrophobicContact CD2-CB 4.38Å; F551-V570 HydrophobicContact CD2-CG1 4.32Å; F551-V570 HydrophobicContact CD2-CG2 3.98Å; F551-V570 HydrophobicContact CE2-CB 4.3Å; F551-V570 HydrophobicContact CE2-CG2 4.18Å; F551-V570 HydrophobicContact CG-CG2 4.18Å; F551-S574 WeakPolarHBondContact O-CB 3.48Å; F551-S574 PolarHBondContact O-OG 3.29Å; F551-I580 HydrophobicContact CB-CD1 3.95Å; F551-I580 HydrophobicContact CB-CG1 4.34Å
552P96.5Very high97.8Very high38 Ų3834.1 Ų34.125%0.24717%0.173CC..SBendtrans-73.4-31179.728.7-33.8000112.4R463 A576R463-P552 HydrophobicContact CB-CG 4.24Å; P552-A576 WeakPolarHBondContact O-CB 3.3Å
553F97.3Very high97.9Very high135 Ų13532.9 Ų32.959%0.59216%0.16SC*.SBendtrans-144.6161.3-175.1-51.8-69.6000112.2D555 C556 I580F553-D555 WeakPolarHBondContact CB-OD1 3.33Å; F553-D555 PolarHBondContact O-N 3.19Å; F553-C556 PolarHBondContact O-N 3.06Å; F553-I580 VanDerWaalsContact C-CD1 3.45Å; F553-I580 WeakPolarHBondContact O-CD1 3.33Å
554V97.6Very high97.8Very high53 Ų5333.5 Ų33.532%0.32117%0.166SC..THydrogen-bonded Turntrans-64.8-15.7-179.3-61.20000113.9C556 I557 L558 S579 I580 A583V554-C556 PolarHBondContact O-N 2.87Å; V554-I557 WeakPolarHBondContact O-CB 3.34Å; V554-I557 PolarHBondContact O-N 2.86Å; V554-L558 WeakPolarHBondContact O-CG 3.23Å; V554-L558 PolarHBondContact O-N 2.82Å; V554-S579 VanDerWaalsContact CG1-O 3.28Å; V554-S579 WeakPolarHBondContact CG1-O 3.41Å; V554-I580 HydrophobicContact CG1-CD1 4.24Å; V554-A583 HydrophobicContact CB-CB 4.17Å; V554-A583 HydrophobicContact CG1-CB 3.92Å
555D97.7Very high97.8Very high50 Ų5033.6 Ų33.627%0.26717%0.166SC..Hα-helixtrans-60.1-30.1179.265.4-12.6000112.8I464 F553 I557 R559I464-D555 HydrophobicContact CD1-CB 4.24Å; I464-D555 WeakPolarHBondContact CG1-OD2 3.44Å; F553-D555 WeakPolarHBondContact CB-OD1 3.33Å; F553-D555 PolarHBondContact O-N 3.19Å; D555-I557 VanDerWaalsContact C-N 3.35Å; D555-R559 VanDerWaalsContact O-CB 3.31Å; D555-R559 WeakPolarHBondContact O-CB 3.44Å; D555-R559 PolarHBondContact O-N 2.97Å
556C97.9Very high97.8Very high0 Ų038.1 Ų38.10%019%0.187CC..Hα-helixtrans-62.9-42.3173.5-650000110.9V467 F551 F553 V554 S560V467-C556 HydrophobicContact CG2-CB 4.13Å; F551-C556 HydrophobicContact CB-CB 4.19Å; F551-C556 HydrophobicContact CD1-CB 3.48Å; F551-C556 VanDerWaalsContact CD1-CB 3.48Å; F551-C556 HydrophobicContact CD2-CB 4.16Å; F551-C556 HydrophobicContact CE1-CB 3.8Å; F551-C556 HydrophobicContact CE2-CB 4.4Å; F551-C556 HydrophobicContact CG-CB 3.69Å; F551-C556 HydrophobicContact CZ-CB 4.25Å; F553-C556 PolarHBondContact O-N 3.06Å; V554-C556 PolarHBondContact O-N 2.87Å; C556-S560 WeakPolarHBondContact O-CB 3.3Å; C556-S560 PolarHBondContact O-N 3.33Å; C556-S560 VanDerWaalsContact O-N 3.17Å; C556-S560 PolarHBondContact O-OG 2.88Å
557I97.6Very high97.7Very high1 Ų138 Ų381%0.00519%0.187CC..Hα-helixtrans-67.4-52.5176.3-51.2-54.4000109.7F551 V554 D555 R559 S560 L561 I568 I580 A583F551-I557 HydrophobicContact CD2-CD1 3.75Å; F551-I557 HydrophobicContact CE2-CD1 3.89Å; V554-I557 WeakPolarHBondContact O-CB 3.34Å; V554-I557 PolarHBondContact O-N 2.86Å; D555-I557 VanDerWaalsContact C-N 3.35Å; I557-R559 VanDerWaalsContact C-N 3.26Å; I557-R559 PolarHBondContact O-N 3.31Å; I557-S560 WeakPolarHBondContact O-CB 3.43Å; I557-S560 PolarHBondContact O-N 3.2Å; I557-L561 HydrophobicContact CG2-CD1 4.49Å; I557-L561 WeakPolarHBondContact O-CG 3.36Å; I557-L561 PolarHBondContact O-N 2.91Å; I557-I568 HydrophobicContact CD1-CD1 3.5Å; I557-I568 VanDerWaalsContact CD1-CD1 3.5Å; I557-I580 HydrophobicContact CD1-CG2 3.89Å; I557-I580 HydrophobicContact CG1-CD1 4.29Å; I557-I580 HydrophobicContact CG1-CG2 4.05Å; I557-A583 HydrophobicContact CB-CB 4.46Å; I557-A583 HydrophobicContact CG2-CB 4.34Å
558L97.6Very high97.7Very high79 Ų7938.1 Ų38.141%0.41419%0.187SC..Hα-helixtrans-60.2-34.1-177.8-62-179.9000113.2V554 L561V554-L558 WeakPolarHBondContact O-CG 3.23Å; V554-L558 PolarHBondContact O-N 2.82Å; L558-L561 HydrophobicContact CD2-CD1 4.28Å
559R98Very high97.7Very high41 Ų4138.2 Ų38.216%0.15519%0.188CC..Hα-helixtrans-69.8-42.6173.5175.159.3-171.796.6-8.5111.8I464 V467 R468 C471 E475 D555 I557 L561 K562 T563I464-R559 HydrophobicContact CD1-CB 4.11Å; V467-R559 HydrophobicContact CG1-CB 4.16Å; V467-R559 HydrophobicContact CG1-CG 3.94Å; R468-R559 HydrophobicContact CG-CG 3.95Å; C471-R559 VanDerWaalsContact CB-NH2 3.3Å; E475-R559 VanDerWaalsContact CD-NH2 3.31Å; E475-R559 IonicContact OE1-CZ 2.65Å; E475-R559 VanDerWaalsContact OE1-CZ 3.24Å; E475-R559 IonicContact OE1-NH1 2.69Å; E475-R559 PolarHBondContact OE1-NH1 3.39Å; E475-R559 IonicContact OE1-NH2 3.14Å; E475-R559 PolarHBondContact OE1-NH2 3.5Å; E475-R559 IonicContact OE2-NH2 2.65Å; E475-R559 PolarHBondContact OE2-NH2 3.19Å; D555-R559 VanDerWaalsContact O-CB 3.31Å; D555-R559 WeakPolarHBondContact O-CB 3.44Å; D555-R559 PolarHBondContact O-N 2.97Å; I557-R559 VanDerWaalsContact C-N 3.26Å; I557-R559 PolarHBondContact O-N 3.31Å; R559-L561 VanDerWaalsContact C-N 3.34Å; R559-K562 WeakPolarHBondContact O-CB 3.07Å; R559-K562 PolarHBondContact O-N 3.08Å; R559-T563 PolarHBondContact NH1-OG1 3.28Å
560S98.1Very high97.7Very high1 Ų138.1 Ų38.11%0.00719%0.187CC..Hα-helixtrans-65.1-38-176.7-59.80000112L545 C556 I557 K562 T563 V565L545-S560 WeakPolarHBondContact CD1-OG 3.32Å; C556-S560 WeakPolarHBondContact O-CB 3.3Å; C556-S560 PolarHBondContact O-N 3.33Å; C556-S560 VanDerWaalsContact O-N 3.17Å; C556-S560 PolarHBondContact O-OG 2.88Å; I557-S560 WeakPolarHBondContact O-CB 3.43Å; I557-S560 PolarHBondContact O-N 3.2Å; S560-K562 PolarHBondContact O-N 2.94Å; S560-T563 PolarHBondContact O-N 3.45Å; S560-V565 WeakPolarHBondContact O-CB 3.41Å; S560-V565 WeakPolarHBondContact O-CG2 3.25Å; S560-V565 PolarHBondContact O-N 2.94Å
561L97.2Very high97.7Very high48 Ų4834.5 Ų34.525%0.25117%0.172SC..Hα-helixtrans-54.8-34.6175.7-71.9173.2000113.3I557 L558 R559 T563 G564 H587 V589I557-L561 HydrophobicContact CG2-CD1 4.49Å; I557-L561 WeakPolarHBondContact O-CG 3.36Å; I557-L561 PolarHBondContact O-N 2.91Å; L558-L561 HydrophobicContact CD2-CD1 4.28Å; R559-L561 VanDerWaalsContact C-N 3.34Å; L561-T563 PolarHBondContact O-N 3.12Å; L561-T563 VanDerWaalsContact O-N 3.14Å; L561-G564 PolarHBondContact O-N 3.29Å; L561-H587 HydrophobicContact CD1-CB 3.7Å; L561-H587 WeakPolarHBondContact CD1-CD2 3.24Å; L561-H587 HydrophobicContact CD2-CB 3.86Å; L561-H587 HydrophobicContact CG-CB 4.44Å; L561-V589 HydrophobicContact CD2-CG2 3.36Å; L561-V589 HydrophobicContact CG-CG2 4.46Å
562K96.2Very high97.6Very high151 Ų15137 Ų3766%0.65719%0.19SC*.THydrogen-bonded Turntrans-68.8-9178.8-60.8-179.8-178.6-178.20113.6R559 S560R559-K562 WeakPolarHBondContact O-CB 3.07Å; R559-K562 PolarHBondContact O-N 3.08Å; S560-K562 PolarHBondContact O-N 2.94Å
563T97.9Very high97.5Very high1 Ų138 Ų381%0.00621%0.206CC..THydrogen-bonded Turntrans-117.823.5-179.5-47.90000111.3L447 C471 A474 E475 L540 R559 S560 L561 V565L447-T563 HydrophobicContact CD2-CG2 3.85Å; C471-T563 HydrophobicContact CB-CG2 4.35Å; C471-T563 WeakPolarHBondContact CB-OG1 3.41Å; A474-T563 HydrophobicContact CB-CG2 3.75Å; E475-T563 HydrophobicContact CG-CG2 3.88Å; E475-T563 PolarHBondContact OE1-OG1 3.09Å; L540-T563 HydrophobicContact CD2-CG2 4.03Å; L540-T563 WeakPolarHBondContact CD2-O 3.48Å; R559-T563 PolarHBondContact NH1-OG1 3.28Å; S560-T563 PolarHBondContact O-N 3.45Å; L561-T563 PolarHBondContact O-N 3.12Å; L561-T563 VanDerWaalsContact O-N 3.14Å; T563-V565 VanDerWaalsContact C-N 3.29Å; T563-V565 PolarHBondContact O-N 3.05Å
564G97.5Very high97.4Very high12 Ų1232.2 Ų32.212%0.12418%0.182CC..THydrogen-bonded Turntrans74.914.717300000115.3L540 G542 V543 L561 Q566L540-G564 WeakPolarHBondContact O-CA 3.38Å; G542-G564 PolarHBondContact N-O 3.08Å; V543-G564 WeakPolarHBondContact CB-O 3.48Å; V543-G564 PolarHBondContact N-O 3.08Å; V543-G564 VanDerWaalsContact N-O 3.15Å; L561-G564 PolarHBondContact O-N 3.29Å; G564-Q566 PolarHBondContact O-N 3.49Å
565V98.6Very high97.2Very high4 Ų437.4 Ų37.42%0.02421%0.214CC..EExtended strand (participates in β ladder)trans-67.2124.2179.2176.30000110L447 V543 L545 S560 T563 S567 I568L447-V565 HydrophobicContact CD2-CG2 3.86Å; V543-V565 HydrophobicContact CB-CG2 4.23Å; V543-V565 HydrophobicContact CG1-CG2 4.01Å; V543-V565 WeakPolarHBondContact O-CA 3.34Å; L545-V565 HydrophobicContact CB-CG1 3.86Å; L545-V565 HydrophobicContact CB-CG2 4.23Å; L545-V565 HydrophobicContact CD1-CG2 4.38Å; S560-V565 WeakPolarHBondContact O-CB 3.41Å; S560-V565 WeakPolarHBondContact O-CG2 3.25Å; S560-V565 PolarHBondContact O-N 2.94Å; T563-V565 VanDerWaalsContact C-N 3.29Å; T563-V565 PolarHBondContact O-N 3.05Å; V565-S567 WeakPolarHBondContact CG1-O 3.43Å; V565-I568 HydrophobicContact CG1-CD1 4.12Å; V565-I568 HydrophobicContact CG1-CG1 3.68Å
566Q97.8Very high97Very high96 Ų9636 Ų3645%0.44921%0.209SC..EExtended strand (participates in β ladder)trans-120.8-12.2180-72.5-180-31.700112.6V543 G564 L590V543-Q566 PolarHBondContact O-N 3.48Å; G564-Q566 PolarHBondContact O-N 3.49Å; Q566-L590 PolarHBondContact O-N 3.39Å
567S98.3Very high97Very high1 Ų137.4 Ų37.41%0.00722%0.217CC..EExtended strand (participates in β ladder)trans-142.2141.8176.9530000111.1I426 V543 S544 L545 V565 L590I426-S567 VanDerWaalsContact CG2-CB 3.45Å; V543-S567 PolarHBondContact O-N 2.65Å; S544-S567 CarbonylContact C-O 3.58Å; S544-S567 WeakPolarHBondContact CA-O 3.43Å; S544-S567 VanDerWaalsContact CA-OG 3.29Å; S544-S567 WeakPolarHBondContact CA-OG 3.3Å; S544-S567 WeakPolarHBondContact CB-OG 3.39Å; S544-S567 PolarHBondContact OG-OG 2.95Å; L545-S567 PolarHBondContact N-O 3.48Å; V565-S567 WeakPolarHBondContact CG1-O 3.43Å; S567-L590 CarbonylContact C-O 3.55Å; S567-L590 VanDerWaalsContact CA-O 3.23Å; S567-L590 WeakPolarHBondContact CA-O 3.17Å
568I98.5Very high97Very high1 Ų143.1 Ų43.11%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-135.3130-176-66.7179.4000109.3L545 F551 I557 V565 V570 V589 L590 L591 V592L545-I568 HydrophobicContact CB-CG1 4.31Å; L545-I568 HydrophobicContact CD2-CG2 4.38Å; L545-I568 CarbonylContact O-C 3.4Å; L545-I568 VanDerWaalsContact O-CA 3.29Å; L545-I568 WeakPolarHBondContact O-CA 3.3Å; F551-I568 HydrophobicContact CE2-CG2 3.75Å; I557-I568 HydrophobicContact CD1-CD1 3.5Å; I557-I568 VanDerWaalsContact CD1-CD1 3.5Å; V565-I568 HydrophobicContact CG1-CD1 4.12Å; V565-I568 HydrophobicContact CG1-CG1 3.68Å; I568-V570 HydrophobicContact CG2-CB 4.19Å; I568-V570 HydrophobicContact CG2-CG1 4.04Å; I568-V589 HydrophobicContact CB-CG1 4.44Å; I568-V589 HydrophobicContact CD1-CG1 3.8Å; I568-V589 HydrophobicContact CG1-CG1 3.84Å; I568-L590 PolarHBondContact N-O 3.32Å; I568-L591 HydrophobicContact CB-CD1 4.12Å; I568-L591 HydrophobicContact CG2-CD1 3.85Å; I568-V592 PolarHBondContact O-N 3.14Å
569L98.4Very high97Very high2 Ų242.3 Ų42.31%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-113.4120.3167.5174.566.8000109.1V411 W414 L430 A434 L545 C546 S547 V592 T594V411-L569 HydrophobicContact CG2-CD2 4.15Å; W414-L569 HydrophobicContact CE3-CD1 3.92Å; W414-L569 HydrophobicContact CZ3-CD1 4.25Å; W414-L569 HydrophobicContact CZ3-CD2 4.39Å; L430-L569 HydrophobicContact CB-CB 4.35Å; L430-L569 HydrophobicContact CD1-CB 4.46Å; L430-L569 HydrophobicContact CD2-CB 3.8Å; L430-L569 HydrophobicContact CG-CB 4.43Å; A434-L569 HydrophobicContact CB-CD2 3.86Å; L545-L569 PolarHBondContact O-N 3.48Å; C546-L569 VanDerWaalsContact CA-O 3.29Å; C546-L569 WeakPolarHBondContact CA-O 3.43Å; C546-L569 HydrophobicContact CB-CB 4.47Å; C546-L569 PolarHBondContact SG-O 3.22Å; S547-L569 PolarHBondContact N-O 3.01Å; S547-L569 VanDerWaalsContact N-O 3.14Å; L569-V592 WeakPolarHBondContact CA-O 3.42Å; L569-V592 HydrophobicContact CD1-CB 3.74Å; L569-V592 HydrophobicContact CD1-CG1 3.58Å; L569-T594 HydrophobicContact CD1-CG2 3.97Å; L569-T594 HydrophobicContact CG-CG2 4.44Å
570V98.2Very high96.9Very high1 Ų140.4 Ų40.41%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-148.7144.3-17564.20000110.6G549 F551 I568 L591 V592 F593 T594G549-V570 WeakPolarHBondContact O-CG2 3.4Å; F551-V570 HydrophobicContact CD2-CB 4.38Å; F551-V570 HydrophobicContact CD2-CG1 4.32Å; F551-V570 HydrophobicContact CD2-CG2 3.98Å; F551-V570 HydrophobicContact CE2-CB 4.3Å; F551-V570 HydrophobicContact CE2-CG2 4.18Å; F551-V570 HydrophobicContact CG-CG2 4.18Å; I568-V570 HydrophobicContact CG2-CB 4.19Å; I568-V570 HydrophobicContact CG2-CG1 4.04Å; V570-L591 HydrophobicContact CG1-CD1 3.79Å; V570-V592 PolarHBondContact N-O 3.14Å; V570-F593 HydrophobicContact CG1-CD1 3.88Å; V570-F593 HydrophobicContact CG1-CE1 3.86Å; V570-F593 VanDerWaalsContact O-CA 3.31Å; V570-F593 WeakPolarHBondContact O-CA 3.48Å; V570-T594 PolarHBondContact O-N 3.1Å
571P97.8Very high96.9Very high7 Ų741.9 Ų41.95%0.04525%0.246CC..EExtended strand (participates in β ladder)trans-60.9140170.9-2534.7000111.5S547 F550 T594 T596S547-P571 WeakPolarHBondContact O-CD 3.15Å; F550-P571 VanDerWaalsContact CA-O 3.29Å; F550-P571 WeakPolarHBondContact CA-O 3.32Å; F550-P571 WeakPolarHBondContact CB-O 3.33Å; P571-T594 VanDerWaalsContact CA-O 3.23Å; P571-T594 WeakPolarHBondContact CA-O 3.36Å; P571-T594 HydrophobicContact CB-CG2 4.37Å; P571-T594 HydrophobicContact CG-CG2 4.05Å; P571-T596 WeakPolarHBondContact CG-O 3.41Å
572S95.7Very high96.9Very high56 Ų5643.4 Ų43.439%0.39225%0.254SS..  trans-77.5176.116558.80000110.9T594S572-T594 PolarHBondContact N-O 2.96Å
573G94.6Very high96.9Very high57 Ų5736.8 Ų36.859%0.58823%0.228SC*.  trans119.35.1176.300000114.3D577G573-D577 PolarHBondContact N-OD2 3.11Å
574S93.5Very high96.8Very high14 Ų1436.9 Ų36.910%0.09823%0.229CC..  trans-79.4141.8170.6-169.40000109.8F551 A576 D577F551-S574 WeakPolarHBondContact O-CB 3.48Å; F551-S574 PolarHBondContact O-OG 3.29Å; S574-A576 PolarHBondContact O-N 2.64Å; S574-A576 PolarHBondContact OG-N 3.08Å; S574-D577 WeakPolarHBondContact CB-OD1 3.47Å; S574-D577 PolarHBondContact N-OD1 3.44Å; S574-D577 PolarHBondContact N-OD2 3.25Å; S574-D577 VanDerWaalsContact N-OD2 3.16Å; S574-D577 WeakPolarHBondContact O-CB 3.37Å; S574-D577 PolarHBondContact O-N 3.37Å; S574-D577 VanDerWaalsContact O-N 3.1Å
575V94.3Very high96.8Very high163 Ų16342.5 Ų42.599%0.98825%0.252SS*.THydrogen-bonded Turntrans-60.8-15.9167-61.20000112.5
576A94Very high96.7Very high19 Ų1946 Ų4616%0.15728%0.281CS..THydrogen-bonded Turntrans-103.61317900000113.8P552 S574 Q578 S579 I580P552-A576 WeakPolarHBondContact O-CB 3.3Å; S574-A576 PolarHBondContact O-N 2.64Å; S574-A576 PolarHBondContact OG-N 3.08Å; A576-Q578 PolarHBondContact O-N 3.03Å; A576-S579 WeakPolarHBondContact O-CA 3.3Å; A576-S579 VanDerWaalsContact O-CB 3.31Å; A576-S579 WeakPolarHBondContact O-CB 3.35Å; A576-S579 PolarHBondContact O-N 2.86Å; A576-I580 PolarHBondContact O-N 3.49Å
577D96.7Very high96.6Very high30 Ų3045.7 Ų45.716%0.1628%0.279CS..Hα-helixtrans-54-40.1-177.2-79.4-15.7000112.3G573 S574 S579 I580 V581 F593G573-D577 PolarHBondContact N-OD2 3.11Å; S574-D577 WeakPolarHBondContact CB-OD1 3.47Å; S574-D577 PolarHBondContact N-OD1 3.44Å; S574-D577 PolarHBondContact N-OD2 3.25Å; S574-D577 VanDerWaalsContact N-OD2 3.16Å; S574-D577 WeakPolarHBondContact O-CB 3.37Å; S574-D577 PolarHBondContact O-N 3.37Å; S574-D577 VanDerWaalsContact O-N 3.1Å; D577-S579 VanDerWaalsContact C-N 3.28Å; D577-S579 PolarHBondContact O-N 3.29Å; D577-I580 WeakPolarHBondContact O-CA 3.25Å; D577-I580 VanDerWaalsContact O-CB 3.32Å; D577-I580 WeakPolarHBondContact O-CB 3.32Å; D577-I580 PolarHBondContact O-N 3.29Å; D577-V581 WeakPolarHBondContact O-CG2 3.36Å; D577-V581 PolarHBondContact O-N 3Å; D577-F593 HydrophobicContact CB-CZ 4.06Å
578Q97.4Very high96.4Very high122 Ų12252.7 Ų52.757%0.5732%0.317SS*.Hα-helixtrans-60.8-36.9176.5-170.762.15500112.5A576 I580 V581 N582A576-Q578 PolarHBondContact O-N 3.03Å; Q578-I580 VanDerWaalsContact C-N 3.29Å; Q578-I580 PolarHBondContact O-N 2.96Å; Q578-V581 PolarHBondContact O-N 3.44Å; Q578-N582 PolarHBondContact NE2-OD1 3.25Å; Q578-N582 WeakPolarHBondContact O-CB 3.42Å; Q578-N582 PolarHBondContact O-N 3.36Å; Q578-N582 PolarHBondContact O-ND2 3.37Å; Q578-N582 PolarHBondContact O-OD1 3.24Å
579S97.4Very high96.3Very high62 Ų6253.2 Ų53.243%0.43432%0.32SS..Hα-helixtrans-66.7-33.7175.2-58.80000111.6V554 A576 D577 A583V554-S579 VanDerWaalsContact CG1-O 3.28Å; V554-S579 WeakPolarHBondContact CG1-O 3.41Å; A576-S579 WeakPolarHBondContact O-CA 3.3Å; A576-S579 VanDerWaalsContact O-CB 3.31Å; A576-S579 WeakPolarHBondContact O-CB 3.35Å; A576-S579 PolarHBondContact O-N 2.86Å; D577-S579 VanDerWaalsContact C-N 3.28Å; D577-S579 PolarHBondContact O-N 3.29Å; S579-A583 VanDerWaalsContact O-CB 3.3Å; S579-A583 WeakPolarHBondContact O-CB 3.44Å; S579-A583 PolarHBondContact O-N 3.49Å
580I97.2Very high96.2Very high1 Ų154.2 Ų54.21%0.00533%0.325CS..Hα-helixtrans-66.8-47173.5-56.7-57.3000110.6F551 F553 V554 I557 A576 D577 Q578 A583 C584 L591F551-I580 HydrophobicContact CB-CD1 3.95Å; F551-I580 HydrophobicContact CB-CG1 4.34Å; F553-I580 VanDerWaalsContact C-CD1 3.45Å; F553-I580 WeakPolarHBondContact O-CD1 3.33Å; V554-I580 HydrophobicContact CG1-CD1 4.24Å; I557-I580 HydrophobicContact CD1-CG2 3.89Å; I557-I580 HydrophobicContact CG1-CD1 4.29Å; I557-I580 HydrophobicContact CG1-CG2 4.05Å; A576-I580 PolarHBondContact O-N 3.49Å; D577-I580 WeakPolarHBondContact O-CA 3.25Å; D577-I580 VanDerWaalsContact O-CB 3.32Å; D577-I580 WeakPolarHBondContact O-CB 3.32Å; D577-I580 PolarHBondContact O-N 3.29Å; Q578-I580 VanDerWaalsContact C-N 3.29Å; Q578-I580 PolarHBondContact O-N 2.96Å; I580-A583 PolarHBondContact O-N 3.35Å; I580-C584 PolarHBondContact O-N 3.05Å; I580-C584 PolarHBondContact O-SG 3.07Å; I580-L591 HydrophobicContact CG2-CD1 4.47Å; I580-L591 HydrophobicContact CG2-CD2 4.07Å
581V97Very high96.1Very high32 Ų3255.6 Ų55.619%0.19433%0.332CS..Hα-helixtrans-55-55175.3174.10000110.3D577 Q578 A583 C584 E585 L591 F593D577-V581 WeakPolarHBondContact O-CG2 3.36Å; D577-V581 PolarHBondContact O-N 3Å; Q578-V581 PolarHBondContact O-N 3.44Å; V581-A583 VanDerWaalsContact C-N 3.26Å; V581-A583 PolarHBondContact O-N 2.88Å; V581-C584 PolarHBondContact O-N 3.45Å; V581-C584 VanDerWaalsContact O-N 3.09Å; V581-E585 HydrophobicContact CG1-CG 4.31Å; V581-E585 WeakPolarHBondContact O-CG 3.5Å; V581-E585 PolarHBondContact O-N 3.24Å; V581-L591 HydrophobicContact CG2-CD2 3.98Å; V581-F593 HydrophobicContact CG2-CE2 3.58Å; V581-F593 HydrophobicContact CG2-CZ 4.12Å
582N97.3Very high96.1Very high79 Ų7955.3 Ų55.342%0.42233%0.33SS..Hα-helixtrans-57.9-39.1-179.6-64.1-4.2000111.9Q578 A586Q578-N582 PolarHBondContact NE2-OD1 3.25Å; Q578-N582 WeakPolarHBondContact O-CB 3.42Å; Q578-N582 PolarHBondContact O-N 3.36Å; Q578-N582 PolarHBondContact O-ND2 3.37Å; Q578-N582 PolarHBondContact O-OD1 3.24Å; N582-A586 VanDerWaalsContact O-CB 3.25Å; N582-A586 WeakPolarHBondContact O-CB 3.38Å; N582-A586 PolarHBondContact O-N 3.48Å
583A97.1Very high96.1Very high13 Ų1355.2 Ų55.211%0.10732%0.323CS..Hα-helixtrans-68.6-39.2178.200000112.4V554 I557 S579 I580 V581 H587V554-A583 HydrophobicContact CB-CB 4.17Å; V554-A583 HydrophobicContact CG1-CB 3.92Å; I557-A583 HydrophobicContact CB-CB 4.46Å; I557-A583 HydrophobicContact CG2-CB 4.34Å; S579-A583 VanDerWaalsContact O-CB 3.3Å; S579-A583 WeakPolarHBondContact O-CB 3.44Å; S579-A583 PolarHBondContact O-N 3.49Å; I580-A583 PolarHBondContact O-N 3.35Å; V581-A583 VanDerWaalsContact C-N 3.26Å; V581-A583 PolarHBondContact O-N 2.88Å; A583-H587 PolarHBondContact O-N 2.94Å; A583-H587 PolarHBondContact O-ND1 3.49Å
584C96.6Very high96.2Very high2 Ų252.9 Ų52.91%0.01430%0.297CS..Hα-helixtrans-67.1-46.8175.4-73.30000111.5I580 V581 A586 H587 N588 V589 L591I580-C584 PolarHBondContact O-N 3.05Å; I580-C584 PolarHBondContact O-SG 3.07Å; V581-C584 PolarHBondContact O-N 3.45Å; V581-C584 VanDerWaalsContact O-N 3.09Å; C584-A586 PolarHBondContact O-N 3.15Å; C584-H587 CarbonylContact O-C 3.58Å; C584-H587 PolarHBondContact O-N 3.34Å; C584-H587 VanDerWaalsContact O-N 3.14Å; C584-N588 PolarHBondContact O-N 3.31Å; C584-V589 HydrophobicContact CB-CB 4.05Å; C584-V589 PolarHBondContact O-N 2.93Å; C584-L591 HydrophobicContact CB-CB 4.07Å; C584-L591 HydrophobicContact CB-CD2 4.35Å
585E95.5Very high96.3Very high131 Ų13158.1 Ų58.161%0.61232%0.324SS*.Hα-helixtrans-58.2-46.6176.4-72.1179.6169.900111.6V581 H587 N588V581-E585 HydrophobicContact CG1-CG 4.31Å; V581-E585 WeakPolarHBondContact O-CG 3.5Å; V581-E585 PolarHBondContact O-N 3.24Å; E585-H587 PolarHBondContact O-N 3.11Å; E585-H587 VanDerWaalsContact O-N 3.08Å; E585-N588 PolarHBondContact O-N 2.81Å; E585-N588 VanDerWaalsContact O-N 3.15Å
586A96.8Very high96.4Very high77 Ų7752 Ų5264%0.63629%0.287SS*.Hα-helixtrans-60.5-21.517900000114.1N582 C584N582-A586 VanDerWaalsContact O-CB 3.25Å; N582-A586 WeakPolarHBondContact O-CB 3.38Å; N582-A586 PolarHBondContact O-N 3.48Å; C584-A586 PolarHBondContact O-N 3.15Å
587H95.5Very high96.6Very high89 Ų8958.5 Ų58.541%0.41231%0.308SS..THydrogen-bonded Turntrans-116.212.1-179.3-60.491.1000113.4L561 A583 C584 E585 V589L561-H587 HydrophobicContact CD1-CB 3.7Å; L561-H587 WeakPolarHBondContact CD1-CD2 3.24Å; L561-H587 HydrophobicContact CD2-CB 3.86Å; L561-H587 HydrophobicContact CG-CB 4.44Å; A583-H587 PolarHBondContact O-N 2.94Å; A583-H587 PolarHBondContact O-ND1 3.49Å; C584-H587 CarbonylContact O-C 3.58Å; C584-H587 PolarHBondContact O-N 3.34Å; C584-H587 VanDerWaalsContact O-N 3.14Å; E585-H587 PolarHBondContact O-N 3.11Å; E585-H587 VanDerWaalsContact O-N 3.08Å; H587-V589 HydrophobicContact CB-CG2 4.22Å; H587-V589 PolarHBondContact O-N 3.02Å
588N94.4Very high96.6Very high149 Ų14957.4 Ų57.480%0.79730%0.302SS*.THydrogen-bonded Turntrans52.339.5-176.9-57.3-57.7000113.5C584 E585C584-N588 PolarHBondContact O-N 3.31Å; E585-N588 PolarHBondContact O-N 2.81Å; E585-N588 VanDerWaalsContact O-N 3.15Å
589V96.3Very high96.7Very high12 Ų1255.4 Ų55.47%0.07329%0.291CS..  trans-90.8126.5173.5177.60000109L561 I568 C584 H587 L591L561-V589 HydrophobicContact CD2-CG2 3.36Å; L561-V589 HydrophobicContact CG-CG2 4.46Å; I568-V589 HydrophobicContact CB-CG1 4.44Å; I568-V589 HydrophobicContact CD1-CG1 3.8Å; I568-V589 HydrophobicContact CG1-CG1 3.84Å; C584-V589 HydrophobicContact CB-CB 4.05Å; C584-V589 PolarHBondContact O-N 2.93Å; H587-V589 HydrophobicContact CB-CG2 4.22Å; H587-V589 PolarHBondContact O-N 3.02Å; V589-L591 PolarHBondContact O-N 3.36Å
590L96.5Very high96.7Very high22 Ų2254.4 Ų54.412%0.11528%0.28CS..EExtended strand (participates in β ladder)trans-70.4113173.9-171.4155000109.3F415 G421 M422 Q566 S567 I568 V592F415-L590 HydrophobicContact CD2-CD2 3.82Å; F415-L590 HydrophobicContact CD2-CG 4.26Å; F415-L590 HydrophobicContact CE1-CD1 4.1Å; F415-L590 HydrophobicContact CE2-CD1 3.97Å; F415-L590 HydrophobicContact CE2-CD2 3.58Å; F415-L590 HydrophobicContact CE2-CG 3.5Å; F415-L590 VanDerWaalsContact CE2-CG 3.5Å; F415-L590 HydrophobicContact CZ-CD1 3.59Å; F415-L590 HydrophobicContact CZ-CD2 4.08Å; F415-L590 HydrophobicContact CZ-CG 3.64Å; G421-L590 VanDerWaalsContact C-CD1 3.48Å; M422-L590 HydrophobicContact CB-CD1 4.15Å; M422-L590 HydrophobicContact CE-CD1 4.38Å; M422-L590 HydrophobicContact CE-CD2 3.51Å; M422-L590 HydrophobicContact SD-CD1 4.45Å; M422-L590 HydrophobicContact SD-CD2 4.37Å; Q566-L590 PolarHBondContact O-N 3.39Å; S567-L590 CarbonylContact C-O 3.55Å; S567-L590 VanDerWaalsContact CA-O 3.23Å; S567-L590 WeakPolarHBondContact CA-O 3.17Å; I568-L590 PolarHBondContact N-O 3.32Å; L590-V592 HydrophobicContact CD2-CG2 3.53Å
591L96.8Very high96.7Very high30 Ų3061.5 Ų61.516%0.15731%0.312CS..EExtended strand (participates in β ladder)trans-103127.5178.4-17963.4000110.5I568 V570 I580 V581 C584 V589 F593I568-L591 HydrophobicContact CB-CD1 4.12Å; I568-L591 HydrophobicContact CG2-CD1 3.85Å; V570-L591 HydrophobicContact CG1-CD1 3.79Å; I580-L591 HydrophobicContact CG2-CD1 4.47Å; I580-L591 HydrophobicContact CG2-CD2 4.07Å; V581-L591 HydrophobicContact CG2-CD2 3.98Å; C584-L591 HydrophobicContact CB-CB 4.07Å; C584-L591 HydrophobicContact CB-CD2 4.35Å; V589-L591 PolarHBondContact O-N 3.36Å; L591-F593 HydrophobicContact CD2-CD2 4.38Å; L591-F593 HydrophobicContact CD2-CE1 4.31Å; L591-F593 HydrophobicContact CD2-CE2 3.79Å; L591-F593 HydrophobicContact CD2-CZ 3.74Å; L591-F593 HydrophobicContact CG-CE2 4.47Å; L591-F593 HydrophobicContact CG-CZ 4.48Å
592V97Very high96.7Very high1 Ų163 Ų631%0.00632%0.318CS..EExtended strand (participates in β ladder)trans-115.2117.6170.3-170.70000108.2W414 F415 M422 L430 I568 L569 V570 L590W414-V592 HydrophobicContact CB-CG1 3.57Å; F415-V592 HydrophobicContact CB-CG1 4.32Å; F415-V592 HydrophobicContact CB-CG2 4.15Å; F415-V592 HydrophobicContact CD2-CG2 3.9Å; F415-V592 HydrophobicContact CG-CG2 4.33Å; M422-V592 HydrophobicContact CE-CG2 3.43Å; M422-V592 VanDerWaalsContact CE-CG2 3.43Å; L430-V592 HydrophobicContact CD1-CG2 4.01Å; I568-V592 PolarHBondContact O-N 3.14Å; L569-V592 WeakPolarHBondContact CA-O 3.42Å; L569-V592 HydrophobicContact CD1-CB 3.74Å; L569-V592 HydrophobicContact CD1-CG1 3.58Å; V570-V592 PolarHBondContact N-O 3.14Å; L590-V592 HydrophobicContact CD2-CG2 3.53Å
593F96.9Very high96.7Very high54 Ų5462.1 Ų62.124%0.23731%0.313CS..EExtended strand (participates in β ladder)trans-87.4138.6168.5-78.5-53.8000110.7W414 V570 D577 V581 L591W414-F593 WeakPolarHBondContact CB-O 3.49Å; V570-F593 HydrophobicContact CG1-CD1 3.88Å; V570-F593 HydrophobicContact CG1-CE1 3.86Å; V570-F593 VanDerWaalsContact O-CA 3.31Å; V570-F593 WeakPolarHBondContact O-CA 3.48Å; D577-F593 HydrophobicContact CB-CZ 4.06Å; V581-F593 HydrophobicContact CG2-CE2 3.58Å; V581-F593 HydrophobicContact CG2-CZ 4.12Å; L591-F593 HydrophobicContact CD2-CD2 4.38Å; L591-F593 HydrophobicContact CD2-CE1 4.31Å; L591-F593 HydrophobicContact CD2-CE2 3.79Å; L591-F593 HydrophobicContact CD2-CZ 3.74Å; L591-F593 HydrophobicContact CG-CE2 4.47Å; L591-F593 HydrophobicContact CG-CZ 4.48Å
594T96.5Very high96.7Very high8 Ų864.8 Ų64.85%0.04932%0.324CS..EExtended strand (participates in β ladder)trans-117.5153.8171.3172.30000110.7W414 L569 V570 P571 S572 T596W414-T594 VanDerWaalsContact CH2-OG1 3.23Å; W414-T594 WeakPolarHBondContact CH2-OG1 3.3Å; W414-T594 WeakPolarHBondContact CZ2-OG1 3.16Å; L569-T594 HydrophobicContact CD1-CG2 3.97Å; L569-T594 HydrophobicContact CG-CG2 4.44Å; V570-T594 PolarHBondContact O-N 3.1Å; P571-T594 VanDerWaalsContact CA-O 3.23Å; P571-T594 WeakPolarHBondContact CA-O 3.36Å; P571-T594 HydrophobicContact CB-CG2 4.37Å; P571-T594 HydrophobicContact CG-CG2 4.05Å; S572-T594 PolarHBondContact N-O 2.96Å; T594-T596 VanDerWaalsContact C-N 3.26Å; T594-T596 WeakPolarHBondContact OG1-CB 3.28Å; T594-T596 PolarHBondContact OG1-N 3.35Å
595D94.8Very high96.7Very high124 Ų12468.5 Ų68.566%0.66334%0.343SS*.SBendtrans-84-1.4168.559.8-10.1000112.7W414W414-D595 PolarHBondContact NE1-OD1 3.36Å; W414-D595 VanDerWaalsContact NE1-OD1 3.11Å
596T96.7Very high96.7Very high34 Ų3464.6 Ų64.621%0.20933%0.326CS..  trans-110107.5-169.4-580000111.8A404 P571 T594 L598A404-T596 HydrophobicContact CB-CG2 3.84Å; P571-T596 WeakPolarHBondContact CG-O 3.41Å; T594-T596 VanDerWaalsContact C-N 3.26Å; T594-T596 WeakPolarHBondContact OG1-CB 3.28Å; T594-T596 PolarHBondContact OG1-N 3.35Å; T596-L598 HydrophobicContact CG2-CD2 3.75Å
597R97.7Very high96.7Very high157 Ų15763.8 Ų63.859%0.59231%0.305SS*.  trans-82.6138.5170.5-169.4173.966.4-172.8-1.3111D548 F599D548-R597 WeakPolarHBondContact O-CG 3.37Å; R597-F599 HydrophobicContact CG-CD1 4.14Å; R597-F599 HydrophobicContact CG-CD2 4.28Å; R597-F599 HydrophobicContact CG-CE1 4.21Å; R597-F599 HydrophobicContact CG-CE2 4.36Å; R597-F599 HydrophobicContact CG-CG 4.18Å; R597-F599 HydrophobicContact CG-CZ 4.33Å
598L98.4Very high96.8Very high6 Ų662 Ų623%0.03130%0.297CS..  trans-116.540.3-169.2-59173.5000113.6I406 A434 V437 K438 D548 T596I406-L598 HydrophobicContact CD1-CD1 3.57Å; I406-L598 HydrophobicContact CD1-CD2 3.63Å; I406-L598 HydrophobicContact CD1-CG 4.23Å; A434-L598 HydrophobicContact CB-CD1 4.43Å; V437-L598 HydrophobicContact CG2-CD1 3.77Å; K438-L598 HydrophobicContact CB-CD2 4.46Å; K438-L598 HydrophobicContact CG-CD2 4.47Å; D548-L598 HydrophobicContact CB-CB 3.93Å; D548-L598 PolarHBondContact O-N 3.29Å; T596-L598 HydrophobicContact CG2-CD2 3.75Å
599F98.5Very high97Very high81 Ų8155.3 Ų55.336%0.35526%0.259SS..  trans-64.9140.2178.4-70.4-19.2000112.9S442 N443 D548 R597S442-F599 VanDerWaalsContact OG-CA 3.25Å; S442-F599 WeakPolarHBondContact OG-CA 3.19Å; N443-F599 VanDerWaalsContact OD1-CE1 3.25Å; N443-F599 WeakPolarHBondContact OD1-CE1 3.39Å; D548-F599 HydrophobicContact CB-CD1 4.49Å; R597-F599 HydrophobicContact CG-CD1 4.14Å; R597-F599 HydrophobicContact CG-CD2 4.28Å; R597-F599 HydrophobicContact CG-CE1 4.21Å; R597-F599 HydrophobicContact CG-CE2 4.36Å; R597-F599 HydrophobicContact CG-CG 4.18Å; R597-F599 HydrophobicContact CG-CZ 4.33Å
600H98.4Very high97.1Very high40 Ų4058.9 Ų58.919%0.18528%0.275CS..  trans-143.1127.4-179.8-179.775.8000111.1N257 A440 Q441 S442N257-H600 PolarHBondContact OD1-CE1 3.07Å; A440-H600 WeakPolarHBondContact O-CB 3.42Å; Q441-H600 PolarHBondContact NE2-CD2 2.86Å; Q441-H600 PolarHBondContact NE2-NE2 3.46Å; Q441-H600 VanDerWaalsContact NE2-NE2 3.15Å; S442-H600 PolarHBondContact N-O 3.37Å; S442-H600 PolarHBondContact OG-N 3.09Å
601H96.9Very high97.1Very high150 Ų15062.3 Ų62.369%0.69429%0.289SS*.  trans-149.60-174.4-71-58.9000112.4R390 S442R390-H601 VanDerWaalsContact NH1-C 3.32Å; R390-H601 PolarHBondContact NH1-O 2.97Å; S442-H601 PolarHBondContact O-CE1 3.14Å

Retrieved 601 of 601 residues in 911.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).