A0A3Q0KJ00_SCHMA Loading...

Putative nad dependent epimerase/dehydratase

AlphaFold DB , UniProt , Accession A0A3Q0KJ00, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 250 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
1M33.3Very low67.7Low240 Ų24090.8 Ų90.8100%1.18249%0.493SS*.  0113.60-72.5-177.2-82.900106.1E3M1-E3 PolarHBondContact O-N 3.42Å
2S34.3Very low70.1Confident109 Ų10983.3 Ų83.376%0.76245%0.452SS*.  trans-61.7117.2171.950.70000107.4T4S2-T4 PolarHBondContact O-N 3.2Å
3E41.9Very low72Confident194 Ų19476.8 Ų76.891%0.90742%0.417SS*.  trans-57.2104.8168.8-76.2177.9164.100107M1 Q5M1-E3 PolarHBondContact O-N 3.42Å; E3-Q5 PolarHBondContact O-N 3.19Å
4T46.3Very low73.6Confident124 Ų12471.4 Ų71.476%0.76139%0.387SS*.  trans-62.7109170.131.90000106.3S2 T6S2-T4 PolarHBondContact O-N 3.2Å; T4-T6 PolarHBondContact O-N 2.86Å
5Q54.2Low75Confident146 Ų14666.7 Ų66.768%0.68236%0.362SS*.  trans-49114.5177-168.7172.61100108.5E3 S7E3-Q5 PolarHBondContact O-N 3.19Å; Q5-S7 PolarHBondContact O-N 3.48Å; Q5-S7 VanDerWaalsContact O-N 3.11Å
6T64.9Low76.2Confident46 Ų4662.7 Ų62.728%0.28234%0.34SS..PPolyproline II helixtrans-61.9117.9-178.8-50.50000108.2T4T4-T6 PolarHBondContact O-N 2.86Å
7S88Confident77.2Confident64 Ų6460.8 Ų60.845%0.44833%0.327SS..PPolyproline II helixtrans-90.5142.3177.2-172.40000109.7Q5 L9Q5-S7 PolarHBondContact O-N 3.48Å; Q5-S7 VanDerWaalsContact O-N 3.11Å; S7-L9 PolarHBondContact O-N 3.34Å
8V94.4Very high78.2Confident1 Ų157.7 Ų57.71%0.00631%0.31CS..PPolyproline II helixtrans-68.3122.5177.2174.10000109.1I11 L76 V82 Y98 A101V8-I11 HydrophobicContact CG1-CG1 4.02Å; V8-L76 HydrophobicContact CG2-CB 4.27Å; V8-L76 HydrophobicContact CG2-CD1 4.23Å; V8-V82 HydrophobicContact CG1-CG1 3.96Å; V8-Y98 HydrophobicContact CB-CD1 3.9Å; V8-Y98 HydrophobicContact CB-CD2 3.82Å; V8-Y98 HydrophobicContact CB-CE1 4.02Å; V8-Y98 HydrophobicContact CB-CE2 3.94Å; V8-Y98 HydrophobicContact CB-CG 3.8Å; V8-Y98 HydrophobicContact CG1-CD2 4.38Å; V8-Y98 HydrophobicContact CG2-CD1 4.36Å; V8-Y98 HydrophobicContact CG2-CD2 4.21Å; V8-Y98 HydrophobicContact CG2-CE1 3.96Å; V8-Y98 HydrophobicContact CG2-CE2 3.79Å; V8-Y98 HydrophobicContact CG2-CG 4.48Å; V8-A101 WeakPolarHBondContact O-CB 3.34Å
9L95.3Very high79Confident73 Ų7355.7 Ų55.738%0.38231%0.306SS..  trans-96.1-29.8-179.9-59.5177000112.5S7 Y31 G80 A101 K102S7-L9 PolarHBondContact O-N 3.34Å; L9-Y31 HydrophobicContact CD1-CD1 3.78Å; L9-Y31 HydrophobicContact CD1-CE1 3.77Å; L9-Y31 HydrophobicContact CD1-CG 4.44Å; L9-G80 PolarHBondContact N-O 3.43Å; L9-A101 CarbonylContact O-C 3.56Å; L9-A101 VanDerWaalsContact O-CA 3.26Å; L9-A101 WeakPolarHBondContact O-CA 3.24Å; L9-K102 PolarHBondContact O-N 3.01Å
10V96.1Very high79.8Confident0 Ų053.3 Ų53.30%029%0.292CS..EExtended strand (participates in β ladder)trans-135.8128-176.5-172.90000110.7V12 L27 Y31 S81 V82 K102 V104 L207V10-V12 HydrophobicContact CG1-CG2 4.11Å; V10-L27 HydrophobicContact CB-CD1 4.32Å; V10-L27 HydrophobicContact CB-CD2 4.1Å; V10-L27 HydrophobicContact CG1-CD1 4.07Å; V10-L27 HydrophobicContact CG1-CD2 4.01Å; V10-L27 HydrophobicContact CG2-CD2 3.98Å; V10-Y31 HydrophobicContact CG2-CE2 3.74Å; V10-S81 WeakPolarHBondContact O-CA 3.42Å; V10-S81 WeakPolarHBondContact O-CB 3.44Å; V10-V82 PolarHBondContact O-N 3.44Å; V10-K102 WeakPolarHBondContact CA-O 3.34Å; V10-V104 HydrophobicContact CG1-CG2 3.93Å; V10-L207 HydrophobicContact CG1-CD2 4.39Å; V10-L207 HydrophobicContact CG2-CD1 4.19Å; V10-L207 HydrophobicContact CG2-CD2 3.59Å
11I96Very high80.4Confident2 Ų250.9 Ų50.91%0.0128%0.279CS..EExtended strand (participates in β ladder)trans-109.4109.6173.2-59.4159.4000107.5V8 V82 M94 M95 A101 K102 V103 V104V8-I11 HydrophobicContact CG1-CG1 4.02Å; I11-V82 HydrophobicContact CB-CG1 4.35Å; I11-V82 HydrophobicContact CG1-CG1 4.12Å; I11-V82 HydrophobicContact CG2-CG1 4.3Å; I11-M94 HydrophobicContact CD1-CB 3.63Å; I11-M94 HydrophobicContact CG1-CB 4.38Å; I11-M94 HydrophobicContact CG2-SD 4.17Å; I11-M95 HydrophobicContact CD1-CG 4.3Å; I11-A101 HydrophobicContact CD1-CB 3.76Å; I11-A101 HydrophobicContact CG1-CB 4.09Å; I11-K102 PolarHBondContact N-O 2.82Å; I11-V103 HydrophobicContact CB-CG2 4.4Å; I11-V103 CarbonylContact O-C 3.58Å; I11-V103 VanDerWaalsContact O-CA 3.31Å; I11-V103 WeakPolarHBondContact O-CA 3.26Å; I11-V104 PolarHBondContact O-N 3.28Å
12V96Very high83.3Confident0 Ų039.8 Ų39.80%023%0.225CC..EExtended strand (participates in β ladder)trans-92.4113.7172.5-172.90000108.9V10 M23 L27 V82 V83 N84 V104 T106V10-V12 HydrophobicContact CG1-CG2 4.11Å; V12-M23 HydrophobicContact CG1-CB 4.39Å; V12-M23 HydrophobicContact CG1-CG 4.29Å; V12-M23 HydrophobicContact CG2-CB 4.43Å; V12-M23 HydrophobicContact CG2-CE 4.29Å; V12-L27 HydrophobicContact CG2-CD1 3.61Å; V12-V82 PolarHBondContact N-O 2.87Å; V12-V83 HydrophobicContact CB-CB 4.17Å; V12-V83 HydrophobicContact CB-CG1 4.11Å; V12-V83 HydrophobicContact CB-CG2 3.8Å; V12-V83 HydrophobicContact CG1-CG1 4.14Å; V12-V83 HydrophobicContact CG1-CG2 4.41Å; V12-V83 HydrophobicContact CG2-CG2 3.75Å; V12-N84 PolarHBondContact O-N 3.43Å; V12-V104 CarbonylContact C-O 3.52Å; V12-V104 VanDerWaalsContact CA-O 3.23Å; V12-V104 WeakPolarHBondContact CA-O 3.34Å; V12-V104 HydrophobicContact CG2-CB 4.28Å; V12-T106 HydrophobicContact CG1-CG2 4.12Å
13A95.1Very high86.2Confident0 Ų034.6 Ų34.60%019%0.189CC..  trans-110.215-17100000113.9C88 V103 V104 H178 F182A13-C88 HydrophobicContact CB-CB 4.23Å; A13-C88 VanDerWaalsContact O-CB 3.27Å; A13-C88 WeakPolarHBondContact O-CB 3.4Å; A13-V103 HydrophobicContact CB-CG1 4.2Å; A13-V104 PolarHBondContact N-O 3.28Å; A13-H178 PolarHBondContact O-NE2 3.45Å; A13-F182 HydrophobicContact CB-CD1 4.06Å; A13-F182 HydrophobicContact CB-CE1 3.19Å; A13-F182 HydrophobicContact CB-CZ 3.63Å
14G94.6Very high88.8Confident0 Ų026 Ų260%015%0.148CC..PPolyproline II helixtrans-69.2149.5171.300000112.3T106G14-T106 WeakPolarHBondContact CA-OG1 3.43Å
15L95Very high91.1Very high1 Ų122.5 Ų22.51%0.00512%0.123CC..PPolyproline II helixtrans-66.8164.2178-70.3165.5000111.4R17 T18 W113 L154 A157 F158 Y175 H178L15-R17 PolarHBondContact O-N 3.11Å; L15-T18 HydrophobicContact CB-CG2 4.39Å; L15-T18 PolarHBondContact O-N 2.9Å; L15-T18 PolarHBondContact O-OG1 2.98Å; L15-W113 HydrophobicContact CD1-CZ2 4.38Å; L15-L154 HydrophobicContact CD2-CD2 4.16Å; L15-A157 HydrophobicContact CD2-CB 4.17Å; L15-F158 HydrophobicContact CD1-CE1 3.55Å; L15-F158 HydrophobicContact CD1-CZ 4.06Å; L15-F158 HydrophobicContact CD2-CE1 4.04Å; L15-F158 HydrophobicContact CD2-CZ 4.24Å; L15-F158 HydrophobicContact CG-CE1 4.47Å; L15-Y175 HydrophobicContact CD1-CD2 3.51Å; L15-Y175 HydrophobicContact CD1-CE2 4.01Å; L15-H178 HydrophobicContact CD1-CB 4.16Å
16P93.6Very high93.1Very high3 Ų315.6 Ų15.62%0.0199%0.09CC..THydrogen-bonded Turntrans-48.3143.8168-19.223.8000111.6T18 T85 W113 F121 L154P16-T18 VanDerWaalsContact C-N 3.34Å; P16-T18 PolarHBondContact O-N 3.38Å; P16-T85 HydrophobicContact CB-CG2 4.24Å; P16-T85 HydrophobicContact CG-CG2 4.18Å; P16-W113 PolarHBondContact O-NE1 3.14Å; P16-F121 HydrophobicContact CB-CD1 4.35Å; P16-F121 HydrophobicContact CB-CD2 3.56Å; P16-F121 HydrophobicContact CB-CE1 4.42Å; P16-F121 HydrophobicContact CB-CE2 3.61Å; P16-F121 HydrophobicContact CB-CG 3.94Å; P16-F121 HydrophobicContact CB-CZ 4.04Å; P16-F121 HydrophobicContact CG-CD1 4.39Å; P16-F121 HydrophobicContact CG-CD2 4.05Å; P16-F121 HydrophobicContact CG-CE1 4Å; P16-F121 HydrophobicContact CG-CE2 3.6Å; P16-F121 HydrophobicContact CG-CG 4.4Å; P16-F121 HydrophobicContact CG-CZ 3.55Å; P16-L154 HydrophobicContact CG-CD2 4.49Å
17R93.8Very high94.7Very high31 Ų3113.4 Ų13.412%0.1178%0.077CC..THydrogen-bonded Turntrans7313.8175.4-42.8-50.8-58.4167.34.5116.3L15 G19 R108 S116 F117 V120 F121 N221L15-R17 PolarHBondContact O-N 3.11Å; R17-G19 VanDerWaalsContact C-N 3.35Å; R17-R108 VanDerWaalsContact O-CD 3.28Å; R17-R108 WeakPolarHBondContact O-CD 3.48Å; R17-R108 PolarHBondContact O-NH1 3.33Å; R17-S116 PolarHBondContact NE-OG 2.85Å; R17-S116 VanDerWaalsContact NE-OG 3.14Å; R17-S116 PolarHBondContact NH2-OG 3.42Å; R17-F117 HydrophobicContact CG-CB 4.38Å; R17-F117 HydrophobicContact CG-CD2 4.48Å; R17-V120 VanDerWaalsContact NH1-CG1 3.33Å; R17-F121 HydrophobicContact CG-CB 4.14Å; R17-N221 VanDerWaalsContact NH1-CG 3.31Å; R17-N221 PolarHBondContact NH1-ND2 2.86Å; R17-N221 PolarHBondContact NH1-OD1 3.31Å; R17-N221 PolarHBondContact NH2-O 2.72Å
18T95.2Very high95Very high4 Ų412.9 Ų12.93%0.0257%0.067CC..SBendtrans-94.617.917064.20000113.5L15 P16 T106 Y175 V196L15-T18 HydrophobicContact CB-CG2 4.39Å; L15-T18 PolarHBondContact O-N 2.9Å; L15-T18 PolarHBondContact O-OG1 2.98Å; P16-T18 VanDerWaalsContact C-N 3.34Å; P16-T18 PolarHBondContact O-N 3.38Å; T18-T106 VanDerWaalsContact CB-O 3.24Å; T18-T106 WeakPolarHBondContact CB-O 3.5Å; T18-T106 WeakPolarHBondContact CG2-O 3.25Å; T18-T106 WeakPolarHBondContact O-CB 3.37Å; T18-T106 WeakPolarHBondContact OG1-CB 3.44Å; T18-T106 PolarHBondContact OG1-O 3.33Å; T18-T106 PolarHBondContact OG1-OG1 3.02Å; T18-Y175 HydrophobicContact CG2-CE2 4Å; T18-V196 WeakPolarHBondContact O-CG2 3.46Å
19G93.8Very high95.1Very high21 Ų2115.7 Ų15.722%0.2168%0.081CC..SBendtrans88.828.5-178.700000114.4R17 T21 T22 M23R17-G19 VanDerWaalsContact C-N 3.35Å; G19-T21 PolarHBondContact O-N 3.05Å; G19-T22 WeakPolarHBondContact O-CB 3.47Å; G19-T22 PolarHBondContact O-N 3.34Å; G19-M23 PolarHBondContact O-N 3.37Å
20T93.3Very high95.2Very high7 Ų713.6 Ų13.64%0.0437%0.071CC..Hα-helixtrans-59.9-38.9-179.357.30000114.1M23 K24 H37 V83 T85T20-M23 PolarHBondContact O-N 3.12Å; T20-K24 PolarHBondContact O-N 2.98Å; T20-H37 PolarHBondContact OG1-NE2 2.76Å; T20-V83 VanDerWaalsContact CB-CG1 3.41Å; T20-V83 HydrophobicContact CG2-CG1 3.82Å; T20-T85 HydrophobicContact CG2-CG2 3.66Å
21T92.9Very high95.2Very high3 Ų315.8 Ų15.82%0.0188%0.079CC..Hα-helixtrans-67.5-37.9176.6-50.70000111.8G19 K24 K25 H37 Y39 A220 N221G19-T21 PolarHBondContact O-N 3.05Å; T21-K24 WeakPolarHBondContact O-CB 3.24Å; T21-K24 PolarHBondContact O-N 2.95Å; T21-K25 PolarHBondContact O-N 3.15Å; T21-H37 PolarHBondContact OG1-CE1 3.07Å; T21-H37 PolarHBondContact OG1-NE2 3.06Å; T21-Y39 HydrophobicContact CG2-CD2 4.44Å; T21-Y39 HydrophobicContact CG2-CE2 4.01Å; T21-A220 HydrophobicContact CG2-CB 3.98Å; T21-N221 HydrophobicContact CG2-CB 4.13Å; T21-N221 PolarHBondContact OG1-ND2 3.37Å
22T94.5Very high95.1Very high6 Ų621 Ų214%0.03712%0.115CC..Hα-helixtrans-61.4-45.9171.9-65.40000110.9G19 K24 K25 A26 V196 F217 P218 A220G19-T22 WeakPolarHBondContact O-CB 3.47Å; G19-T22 PolarHBondContact O-N 3.34Å; T22-K24 VanDerWaalsContact C-N 3.34Å; T22-K24 PolarHBondContact O-N 3.4Å; T22-K25 PolarHBondContact O-N 3.49Å; T22-A26 WeakPolarHBondContact O-CB 2.95Å; T22-A26 PolarHBondContact O-N 2.86Å; T22-V196 HydrophobicContact CG2-CG1 3.34Å; T22-F217 HydrophobicContact CG2-CD1 4.07Å; T22-F217 HydrophobicContact CG2-CE1 3.35Å; T22-F217 HydrophobicContact CG2-CZ 3.97Å; T22-P218 HydrophobicContact CG2-CB 4.44Å; T22-P218 HydrophobicContact CG2-CG 4.12Å; T22-P218 WeakPolarHBondContact CG2-O 3.36Å; T22-A220 PolarHBondContact OG1-N 2.79Å
23M95.8Very high95Very high0 Ų025.2 Ų25.20%014%0.135CC..Hα-helixtrans-60.3-41176.5-73.3-53.3-58.200113.1V12 G19 T20 K25 A26 L27 V83 V104 T106 Y194 V196 L203 F217V12-M23 HydrophobicContact CG1-CB 4.39Å; V12-M23 HydrophobicContact CG1-CG 4.29Å; V12-M23 HydrophobicContact CG2-CB 4.43Å; V12-M23 HydrophobicContact CG2-CE 4.29Å; G19-M23 PolarHBondContact O-N 3.37Å; T20-M23 PolarHBondContact O-N 3.12Å; M23-K25 VanDerWaalsContact C-N 3.34Å; M23-K25 PolarHBondContact O-N 3.03Å; M23-A26 PolarHBondContact O-N 3.36Å; M23-L27 HydrophobicContact CE-CD1 4.41Å; M23-L27 HydrophobicContact CE-CG 4.37Å; M23-L27 WeakPolarHBondContact O-CB 3.34Å; M23-L27 VanDerWaalsContact O-CG 3.29Å; M23-L27 WeakPolarHBondContact O-CG 3.34Å; M23-L27 PolarHBondContact O-N 3.25Å; M23-V83 HydrophobicContact CB-CG2 4.19Å; M23-V104 HydrophobicContact CE-CG1 4.22Å; M23-T106 HydrophobicContact CG-CG2 3.46Å; M23-T106 VanDerWaalsContact CG-CG2 3.46Å; M23-T106 HydrophobicContact SD-CG2 4.12Å; M23-Y194 HydrophobicContact CE-CE1 4.42Å; M23-Y194 HydrophobicContact SD-CD1 3.75Å; M23-Y194 HydrophobicContact SD-CE1 3.42Å; M23-Y194 WeakPolarHBondContact SD-CE1 3.3Å; M23-V196 HydrophobicContact CG-CG2 4.23Å; M23-V196 HydrophobicContact SD-CG2 4.37Å; M23-L203 HydrophobicContact CE-CD1 3.83Å; M23-L203 HydrophobicContact CE-CD2 3.8Å; M23-L203 HydrophobicContact CE-CG 4.49Å; M23-L203 HydrophobicContact SD-CD2 4.4Å; M23-F217 HydrophobicContact SD-CZ 4.45Å
24K95.1Very high95Very high15 Ų1527.8 Ų27.87%0.06515%0.152CC..Hα-helixtrans-52.6-54.4173.7-178.3-161.3178.7-78.70110.4T20 T21 T22 A26 L27 E28 C35 H37 V83T20-K24 PolarHBondContact O-N 2.98Å; T21-K24 WeakPolarHBondContact O-CB 3.24Å; T21-K24 PolarHBondContact O-N 2.95Å; T22-K24 VanDerWaalsContact C-N 3.34Å; T22-K24 PolarHBondContact O-N 3.4Å; K24-A26 PolarHBondContact O-N 3.49Å; K24-L27 PolarHBondContact O-N 3.21Å; K24-E28 IonicContact NZ-OE1 2.69Å; K24-E28 PolarHBondContact NZ-OE1 3.34Å; K24-E28 IonicContact NZ-OE2 2.87Å; K24-E28 PolarHBondContact NZ-OE2 2.85Å; K24-E28 WeakPolarHBondContact O-CG 2.94Å; K24-E28 PolarHBondContact O-N 2.62Å; K24-C35 HydrophobicContact CB-CB 4.46Å; K24-C35 WeakPolarHBondContact CE-O 3.38Å; K24-C35 HydrophobicContact CG-CB 3.75Å; K24-H37 HydrophobicContact CB-CB 4.37Å; K24-H37 HydrophobicContact CD-CB 3.63Å; K24-H37 HydrophobicContact CG-CB 4.04Å; K24-V83 HydrophobicContact CB-CG2 4.41Å
25K95.1Very high95Very high50 Ų5027.8 Ų27.822%0.21715%0.152CC..Hα-helixtrans-62.8-41.4-179.8-67.2-172.5177.4-169.30111.9T21 T22 M23 L27 E28 I29 P218 A220 Q248 L250T21-K25 PolarHBondContact O-N 3.15Å; T22-K25 PolarHBondContact O-N 3.49Å; M23-K25 VanDerWaalsContact C-N 3.34Å; M23-K25 PolarHBondContact O-N 3.03Å; K25-L27 PolarHBondContact O-N 3.47Å; K25-E28 PolarHBondContact O-N 3.28Å; K25-I29 WeakPolarHBondContact O-CD1 3.49Å; K25-I29 VanDerWaalsContact O-CG1 3.26Å; K25-I29 WeakPolarHBondContact O-CG1 3.48Å; K25-I29 PolarHBondContact O-N 3.41Å; K25-P218 HydrophobicContact CB-CB 3.88Å; K25-P218 HydrophobicContact CB-CG 3.97Å; K25-A220 HydrophobicContact CD-CB 4.05Å; K25-Q248 PolarHBondContact NZ-O 3.41Å; K25-L250 WeakPolarHBondContact CE-O 3.42Å
26A97.2Very high95Very high0 Ų027.8 Ų27.80%015%0.152CC..Hα-helixtrans-61.7-44.8179.200000111.8T22 M23 K24 I29 L30 W200 L203 F217 P218T22-A26 WeakPolarHBondContact O-CB 2.95Å; T22-A26 PolarHBondContact O-N 2.86Å; M23-A26 PolarHBondContact O-N 3.36Å; K24-A26 PolarHBondContact O-N 3.49Å; A26-I29 PolarHBondContact O-N 2.8Å; A26-L30 WeakPolarHBondContact O-CG 3.43Å; A26-L30 PolarHBondContact O-N 3.21Å; A26-W200 HydrophobicContact CB-CH2 3.91Å; A26-W200 HydrophobicContact CB-CZ3 3.84Å; A26-L203 HydrophobicContact CB-CD2 4.32Å; A26-F217 HydrophobicContact CB-CE2 3.87Å; A26-F217 HydrophobicContact CB-CZ 4.11Å; A26-P218 HydrophobicContact CB-CG 3.79Å
27L97Very high95Very high0 Ų028.1 Ų28.10%015%0.153CC..Hα-helixtrans-70.3-35.4179.6-66.9169.8000112.5V10 V12 M23 K24 K25 I29 L30 Y31 V83 L207V10-L27 HydrophobicContact CB-CD1 4.32Å; V10-L27 HydrophobicContact CB-CD2 4.1Å; V10-L27 HydrophobicContact CG1-CD1 4.07Å; V10-L27 HydrophobicContact CG1-CD2 4.01Å; V10-L27 HydrophobicContact CG2-CD2 3.98Å; V12-L27 HydrophobicContact CG2-CD1 3.61Å; M23-L27 HydrophobicContact CE-CD1 4.41Å; M23-L27 HydrophobicContact CE-CG 4.37Å; M23-L27 WeakPolarHBondContact O-CB 3.34Å; M23-L27 VanDerWaalsContact O-CG 3.29Å; M23-L27 WeakPolarHBondContact O-CG 3.34Å; M23-L27 PolarHBondContact O-N 3.25Å; K24-L27 PolarHBondContact O-N 3.21Å; K25-L27 PolarHBondContact O-N 3.47Å; L27-I29 VanDerWaalsContact C-N 3.33Å; L27-L30 PolarHBondContact O-N 3.41Å; L27-Y31 HydrophobicContact CD2-CD2 4.29Å; L27-Y31 HydrophobicContact CD2-CE2 3.95Å; L27-Y31 WeakPolarHBondContact O-CD2 3.09Å; L27-Y31 PolarHBondContact O-N 2.88Å; L27-V83 HydrophobicContact CD1-CG2 4.32Å; L27-L207 HydrophobicContact CD2-CD1 3.94Å
28E95.8Very high94.8Very high53 Ų5327.5 Ų27.525%0.24816%0.156CC..Hα-helixtrans-64.3-38.1172.6-74.6175.9158.300111.8K24 K25 S32 H33 C35K24-E28 IonicContact NZ-OE1 2.69Å; K24-E28 PolarHBondContact NZ-OE1 3.34Å; K24-E28 IonicContact NZ-OE2 2.87Å; K24-E28 PolarHBondContact NZ-OE2 2.85Å; K24-E28 WeakPolarHBondContact O-CG 2.94Å; K24-E28 PolarHBondContact O-N 2.62Å; K25-E28 PolarHBondContact O-N 3.28Å; E28-S32 VanDerWaalsContact O-CA 3.25Å; E28-S32 WeakPolarHBondContact O-CA 3.38Å; E28-S32 PolarHBondContact O-N 3.46Å; E28-H33 WeakPolarHBondContact CG-O 3.28Å; E28-C35 HydrophobicContact CG-CB 3.69Å; E28-C35 PolarHBondContact OE1-N 2.97Å; E28-C35 VanDerWaalsContact OE1-N 3.15Å
29I96.7Very high94.6Very high60 Ų6028.9 Ų28.931%0.30816%0.162SC..Hα-helixtrans-64.9-47.7173.2-68.8161.8000110.8K25 A26 L27 W200 P212 I215 P218K25-I29 WeakPolarHBondContact O-CD1 3.49Å; K25-I29 VanDerWaalsContact O-CG1 3.26Å; K25-I29 WeakPolarHBondContact O-CG1 3.48Å; K25-I29 PolarHBondContact O-N 3.41Å; A26-I29 PolarHBondContact O-N 2.8Å; L27-I29 VanDerWaalsContact C-N 3.33Å; I29-W200 HydrophobicContact CB-CH2 4.09Å; I29-W200 HydrophobicContact CD1-CH2 4.28Å; I29-W200 HydrophobicContact CD1-CZ2 4.29Å; I29-W200 HydrophobicContact CG2-CH2 3.94Å; I29-W200 HydrophobicContact CG2-CZ2 4.14Å; I29-P212 HydrophobicContact CG2-CB 4.12Å; I29-P212 HydrophobicContact CG2-CG 3.83Å; I29-I215 HydrophobicContact CD1-CG2 4.15Å; I29-I215 HydrophobicContact CG2-CD1 4.06Å; I29-I215 HydrophobicContact CG2-CG2 4.3Å; I29-P218 HydrophobicContact CD1-CG 4.26Å
30L97.4Very high94.5Very high29 Ų2928.1 Ų28.115%0.15215%0.152CC..Hα-helixtrans-66.9-42.7-175.6-71.5173000113.2A26 L27 W200 L203 L207 V209 P212A26-L30 WeakPolarHBondContact O-CG 3.43Å; A26-L30 PolarHBondContact O-N 3.21Å; L27-L30 PolarHBondContact O-N 3.41Å; L30-W200 HydrophobicContact CD1-CE3 4.35Å; L30-W200 HydrophobicContact CD1-CZ3 3.77Å; L30-W200 HydrophobicContact CD2-CE3 4.13Å; L30-W200 HydrophobicContact CD2-CH2 4.45Å; L30-W200 HydrophobicContact CD2-CZ3 3.77Å; L30-W200 HydrophobicContact CG-CE3 4.36Å; L30-W200 HydrophobicContact CG-CH2 4.23Å; L30-W200 HydrophobicContact CG-CZ3 3.59Å; L30-L203 HydrophobicContact CD1-CD2 4.13Å; L30-L203 HydrophobicContact CD1-CG 4.42Å; L30-L207 HydrophobicContact CD1-CD1 4.01Å; L30-V209 HydrophobicContact CD1-CG2 4.29Å; L30-V209 HydrophobicContact CD2-CG2 3.95Å; L30-P212 HydrophobicContact CD2-CG 3.61Å
31Y95.6Very high94.6Very high47 Ų4727.9 Ų27.918%0.18415%0.151CC..Hα-helixtrans-104.1-8.9-171.8-67.2-69.9000114L9 V10 L27 H33 L207 V209L9-Y31 HydrophobicContact CD1-CD1 3.78Å; L9-Y31 HydrophobicContact CD1-CE1 3.77Å; L9-Y31 HydrophobicContact CD1-CG 4.44Å; V10-Y31 HydrophobicContact CG2-CE2 3.74Å; L27-Y31 HydrophobicContact CD2-CD2 4.29Å; L27-Y31 HydrophobicContact CD2-CE2 3.95Å; L27-Y31 WeakPolarHBondContact O-CD2 3.09Å; L27-Y31 PolarHBondContact O-N 2.88Å; Y31-H33 PolarHBondContact O-CD2 2.91Å; Y31-H33 PolarHBondContact O-N 3.21Å; Y31-L207 HydrophobicContact CE2-CD1 4.17Å; Y31-V209 HydrophobicContact CE1-CG1 4.18Å
32S94.5Very high94.5Very high110 Ų11028.1 Ų28.177%0.76915%0.152SC*.SBendtrans51.130.2-172.8-60.30000113.1E28E28-S32 VanDerWaalsContact O-CA 3.25Å; E28-S32 WeakPolarHBondContact O-CA 3.38Å; E28-S32 PolarHBondContact O-N 3.46Å
33H93.5Very high94.4Very high89 Ų8928.8 Ų28.841%0.41216%0.156SC..SBendtrans-128.9146.8180-83.7-70.8000110E28 Y31E28-H33 WeakPolarHBondContact CG-O 3.28Å; Y31-H33 PolarHBondContact O-CD2 2.91Å; Y31-H33 PolarHBondContact O-N 3.21Å
34P94Very high94.2Very high55 Ų5535.5 Ų35.536%0.35718%0.182SC..  trans-56.1140.8179.1-25.134.5000112.6Y79 G80P34-Y79 HydrophobicContact CB-CD1 3.64Å; P34-Y79 HydrophobicContact CB-CE1 3.87Å; P34-Y79 HydrophobicContact CB-CG 4.5Å; P34-Y79 WeakPolarHBondContact O-CA 3.47Å; P34-G80 PolarHBondContact O-N 2.92Å
35C94.6Very high94.2Very high0 Ų037 Ų370%019%0.188CC..EExtended strand (participates in β ladder)trans-110122172.4-176.90000110.1K24 E28 S81 V83K24-C35 HydrophobicContact CB-CB 4.46Å; K24-C35 WeakPolarHBondContact CE-O 3.38Å; K24-C35 HydrophobicContact CG-CB 3.75Å; E28-C35 HydrophobicContact CG-CB 3.69Å; E28-C35 PolarHBondContact OE1-N 2.97Å; E28-C35 VanDerWaalsContact OE1-N 3.15Å; C35-S81 WeakPolarHBondContact CA-O 3.27Å; C35-S81 VanDerWaalsContact CB-OG 3.26Å; C35-S81 WeakPolarHBondContact CB-OG 3.48Å; C35-S81 PolarHBondContact SG-OG 3.25Å; C35-V83 VanDerWaalsContact SG-CG2 3.51Å
36Y94.7Very high94.1Very high0 Ų037.1 Ų37.10%019%0.19CC..EExtended strand (participates in β ladder)trans-72.4134.3179.7-165-67.8000109.3E40 L41 K45 D48 W52 I75 L76 Y79 S81 V83Y36-E40 HydrophobicContact CD1-CB 4.49Å; Y36-E40 HydrophobicContact CD1-CG 4.36Å; Y36-E40 HydrophobicContact CE1-CB 4.21Å; Y36-E40 HydrophobicContact CG-CG 4.35Å; Y36-L41 WeakPolarHBondContact OH-CD2 3.3Å; Y36-K45 HydrophobicContact CE2-CD 4.11Å; Y36-D48 WeakPolarHBondContact OH-CB 3.4Å; Y36-D48 PolarHBondContact OH-OD2 2.73Å; Y36-W52 HydrophobicContact CE1-CZ2 4.09Å; Y36-W52 AromaticContact CE1-NE1 3.84Å; Y36-W52 AromaticContact CZ-NE1 3.69Å; Y36-W52 PolarHBondContact OH-NE1 2.64Å; Y36-I75 HydrophobicContact CD2-CG2 4.31Å; Y36-I75 HydrophobicContact CE1-CG2 4.5Å; Y36-I75 HydrophobicContact CE2-CG2 3.5Å; Y36-L76 HydrophobicContact CD2-CD2 3.89Å; Y36-L76 HydrophobicContact CG-CD2 3.9Å; Y36-Y79 HydrophobicContact CD2-CD1 4.27Å; Y36-Y79 AromaticContact CD2-CD2 3.68Å; Y36-Y79 HydrophobicContact CD2-CD2 3.68Å; Y36-Y79 AromaticContact CD2-CE1 3.98Å; Y36-Y79 HydrophobicContact CD2-CE1 3.98Å; Y36-Y79 AromaticContact CD2-CE2 3.36Å; Y36-Y79 HydrophobicContact CD2-CE2 3.36Å; Y36-Y79 HydrophobicContact CD2-CG 4.1Å; Y36-Y79 AromaticContact CD2-CZ 3.5Å; Y36-Y79 VanDerWaalsContact CD2-CZ 3.5Å; Y36-Y79 AromaticContact CE2-CE2 3.97Å; Y36-Y79 HydrophobicContact CE2-CE2 3.97Å; Y36-Y79 HydrophobicContact CG-CD1 4.42Å; Y36-Y79 HydrophobicContact CG-CE1 4.26Å; Y36-Y79 HydrophobicContact CG-CE2 4.36Å; Y36-S81 PolarHBondContact N-O 3.14Å; Y36-V83 PolarHBondContact O-N 2.81Å
37H93.7Very high93.9Very high10 Ų1041.4 Ų41.45%0.04622%0.218CC..  trans-146.4165.3-178.4-178.9-98.3000110.3T20 T21 K24 Y39 E40T20-H37 PolarHBondContact OG1-NE2 2.76Å; T21-H37 PolarHBondContact OG1-CE1 3.07Å; T21-H37 PolarHBondContact OG1-NE2 3.06Å; K24-H37 HydrophobicContact CB-CB 4.37Å; K24-H37 HydrophobicContact CD-CB 3.63Å; K24-H37 HydrophobicContact CG-CB 4.04Å; H37-Y39 AromaticContact CE1-CD2 3.52Å; H37-Y39 AromaticContact CE1-CE2 3.97Å; H37-Y39 AromaticContact ND1-CD2 3.36Å; H37-Y39 WeakPolarHBondContact ND1-CD2 3.47Å; H37-Y39 AromaticContact ND1-CG 3.81Å; H37-Y39 PolarHBondContact ND1-N 3.07Å; H37-Y39 VanDerWaalsContact ND1-N 3.18Å; H37-Y39 PolarHBondContact O-N 2.96Å; H37-E40 WeakPolarHBondContact O-CB 3.4Å; H37-E40 WeakPolarHBondContact O-CG 3.42Å; H37-E40 PolarHBondContact O-N 3.15Å
38G90.2Very high93.8Very high18 Ų1841.5 Ų41.519%0.18622%0.219CC..THydrogen-bonded Turntrans-56.2-23.1176.200000114.8E40 L41G38-E40 PolarHBondContact O-N 3.27Å; G38-L41 PolarHBondContact O-N 3.11Å
39Y91.2Very high93.8Very high34 Ų3439.3 Ų39.313%0.13321%0.209CC..THydrogen-bonded Turntrans-65.1-25.6173.5-81.1-53.5000112.8T21 H37 L41 V42 T43 L229 L250T21-Y39 HydrophobicContact CG2-CD2 4.44Å; T21-Y39 HydrophobicContact CG2-CE2 4.01Å; H37-Y39 AromaticContact CE1-CD2 3.52Å; H37-Y39 AromaticContact CE1-CE2 3.97Å; H37-Y39 AromaticContact ND1-CD2 3.36Å; H37-Y39 WeakPolarHBondContact ND1-CD2 3.47Å; H37-Y39 AromaticContact ND1-CG 3.81Å; H37-Y39 PolarHBondContact ND1-N 3.07Å; H37-Y39 VanDerWaalsContact ND1-N 3.18Å; H37-Y39 PolarHBondContact O-N 2.96Å; Y39-L41 VanDerWaalsContact C-N 3.25Å; Y39-L41 PolarHBondContact O-N 3.22Å; Y39-V42 HydrophobicContact CD1-CG2 3.95Å; Y39-V42 VanDerWaalsContact O-CG2 3.3Å; Y39-V42 WeakPolarHBondContact O-CG2 3.47Å; Y39-V42 PolarHBondContact O-N 3.46Å; Y39-T43 WeakPolarHBondContact O-CB 3.4Å; Y39-T43 VanDerWaalsContact O-CG2 3.32Å; Y39-T43 WeakPolarHBondContact O-CG2 3.4Å; Y39-T43 PolarHBondContact O-N 3.33Å; Y39-T43 PolarHBondContact O-OG1 3.19Å; Y39-L229 HydrophobicContact CE1-CD2 4.28Å; Y39-L250 HydrophobicContact CD1-CD2 3.81Å; Y39-L250 VanDerWaalsContact CD2-OXT 3.29Å; Y39-L250 WeakPolarHBondContact CD2-OXT 3.5Å; Y39-L250 HydrophobicContact CE1-CD2 3.62Å; Y39-L250 HydrophobicContact CE2-CD2 4.35Å; Y39-L250 HydrophobicContact CG-CB 4.48Å; Y39-L250 HydrophobicContact CG-CD2 4.29Å
40E92.7Very high93.7Very high5 Ų539.6 Ų39.62%0.02322%0.22CC..Hα-helixtrans-61.1-38.5176.7-56.1-53.7163.400111.8Y36 H37 G38 V42 T43 R44 K45 Y79Y36-E40 HydrophobicContact CD1-CB 4.49Å; Y36-E40 HydrophobicContact CD1-CG 4.36Å; Y36-E40 HydrophobicContact CE1-CB 4.21Å; Y36-E40 HydrophobicContact CG-CG 4.35Å; H37-E40 WeakPolarHBondContact O-CB 3.4Å; H37-E40 WeakPolarHBondContact O-CG 3.42Å; H37-E40 PolarHBondContact O-N 3.15Å; G38-E40 PolarHBondContact O-N 3.27Å; E40-V42 PolarHBondContact O-N 3.27Å; E40-T43 PolarHBondContact O-N 3.41Å; E40-R44 PolarHBondContact O-N 3.49Å; E40-R44 IonicContact OE1-CZ 2.73Å; E40-R44 VanDerWaalsContact OE1-CZ 3.29Å; E40-R44 IonicContact OE1-NE 2.72Å; E40-R44 IonicContact OE1-NH1 3.62Å; E40-R44 IonicContact OE1-NH2 2.81Å; E40-R44 PolarHBondContact OE1-NH2 3.5Å; E40-R44 VanDerWaalsContact OE2-CD 3.28Å; E40-R44 WeakPolarHBondContact OE2-CD 3.5Å; E40-R44 WeakPolarHBondContact OE2-CG 3.29Å; E40-R44 IonicContact OE2-CZ 3.2Å; E40-R44 IonicContact OE2-NE 3.19Å; E40-R44 PolarHBondContact OE2-NE 3.44Å; E40-R44 IonicContact OE2-NH1 2.83Å; E40-R44 IonicContact OE2-NH2 3.88Å; E40-R44 PolarHBondContact OE2-NH2 3.43Å; E40-K45 WeakPolarHBondContact O-CA 3.46Å; E40-K45 WeakPolarHBondContact O-CB 3.36Å; E40-K45 PolarHBondContact O-N 3.37Å; E40-Y79 HydrophobicContact CG-CE1 4.47Å
41L93.7Very high93.6Very high1 Ų141.4 Ų41.41%0.00523%0.227CC..Hα-helixtrans-69.2-17.4179.5-61.2178.6000114.1Y36 G38 Y39 Q46 D48 I49 L146 L149Y36-L41 WeakPolarHBondContact OH-CD2 3.3Å; G38-L41 PolarHBondContact O-N 3.11Å; Y39-L41 VanDerWaalsContact C-N 3.25Å; Y39-L41 PolarHBondContact O-N 3.22Å; L41-Q46 WeakPolarHBondContact O-CA 3.45Å; L41-Q46 WeakPolarHBondContact O-CG 3.37Å; L41-D48 HydrophobicContact CD2-CB 3.75Å; L41-I49 HydrophobicContact CB-CG1 4.16Å; L41-I49 HydrophobicContact CD2-CG1 4.21Å; L41-L146 HydrophobicContact CB-CD1 4.38Å; L41-L146 HydrophobicContact CD1-CD1 4.01Å; L41-L149 HydrophobicContact CD1-CD2 4.03Å
42V92.3Very high93.6Very high9 Ų939.2 Ų39.26%0.05522%0.218CC..Hα-helixtrans-110-14.4-180-62.20000112.9Y39 E40 I142 L146 I239Y39-V42 HydrophobicContact CD1-CG2 3.95Å; Y39-V42 VanDerWaalsContact O-CG2 3.3Å; Y39-V42 WeakPolarHBondContact O-CG2 3.47Å; Y39-V42 PolarHBondContact O-N 3.46Å; E40-V42 PolarHBondContact O-N 3.27Å; V42-I142 HydrophobicContact CB-CD1 4.48Å; V42-I142 HydrophobicContact CB-CG1 4.13Å; V42-I142 HydrophobicContact CG1-CD1 4.18Å; V42-I142 HydrophobicContact CG1-CG1 3.96Å; V42-I142 HydrophobicContact CG1-CG2 3.97Å; V42-L146 HydrophobicContact CG1-CD2 3.42Å; V42-L146 VanDerWaalsContact CG1-CD2 3.42Å; V42-I239 HydrophobicContact CB-CD1 4.42Å; V42-I239 HydrophobicContact CB-CG2 4.18Å; V42-I239 HydrophobicContact CG2-CD1 3.78Å; V42-I239 WeakPolarHBondContact O-CG2 3.41Å
43T92.4Very high93.7Very high20 Ų2035.8 Ų35.812%0.12319%0.19CC..Hα-helixtrans-110.8-41-173.454.90000114.9Y39 E40 I239 A243 L250Y39-T43 WeakPolarHBondContact O-CB 3.4Å; Y39-T43 VanDerWaalsContact O-CG2 3.32Å; Y39-T43 WeakPolarHBondContact O-CG2 3.4Å; Y39-T43 PolarHBondContact O-N 3.33Å; Y39-T43 PolarHBondContact O-OG1 3.19Å; E40-T43 PolarHBondContact O-N 3.41Å; T43-I239 HydrophobicContact CG2-CG1 4.26Å; T43-A243 HydrophobicContact CG2-CB 3.57Å; T43-L250 HydrophobicContact CG2-CD1 3.49Å; T43-L250 VanDerWaalsContact CG2-CD1 3.49Å
44R91.8Very high93.7Very high140 Ų14034.9 Ų34.953%0.52819%0.191SC..THydrogen-bonded Turntrans-142-15.6-171.867.2177.8-171-135.1-10.2115.3E40 Y79E40-R44 PolarHBondContact O-N 3.49Å; E40-R44 IonicContact OE1-CZ 2.73Å; E40-R44 VanDerWaalsContact OE1-CZ 3.29Å; E40-R44 IonicContact OE1-NE 2.72Å; E40-R44 IonicContact OE1-NH1 3.62Å; E40-R44 IonicContact OE1-NH2 2.81Å; E40-R44 PolarHBondContact OE1-NH2 3.5Å; E40-R44 VanDerWaalsContact OE2-CD 3.28Å; E40-R44 WeakPolarHBondContact OE2-CD 3.5Å; E40-R44 WeakPolarHBondContact OE2-CG 3.29Å; E40-R44 IonicContact OE2-CZ 3.2Å; E40-R44 IonicContact OE2-NE 3.19Å; E40-R44 PolarHBondContact OE2-NE 3.44Å; E40-R44 IonicContact OE2-NH1 2.83Å; E40-R44 IonicContact OE2-NH2 3.88Å; E40-R44 PolarHBondContact OE2-NH2 3.43Å; R44-Y79 PolarHBondContact NE-OH 3.03Å; R44-Y79 VanDerWaalsContact NH2-CE1 3.31Å; R44-Y79 PolarHBondContact NH2-OH 3.07Å
45K93.6Very high93.8Very high47 Ų4732.3 Ų32.320%0.20417%0.174CC..  trans-129.341.9-175.6-62.1-144.5175-168.60112.4Y36 E40 C47 D48 I75 Y79Y36-K45 HydrophobicContact CE2-CD 4.11Å; E40-K45 WeakPolarHBondContact O-CA 3.46Å; E40-K45 WeakPolarHBondContact O-CB 3.36Å; E40-K45 PolarHBondContact O-N 3.37Å; K45-C47 PolarHBondContact O-N 2.93Å; K45-C47 VanDerWaalsContact O-N 3.15Å; K45-D48 HydrophobicContact CB-CB 4.26Å; K45-D48 WeakPolarHBondContact CD-OD2 3.46Å; K45-D48 IonicContact NZ-OD2 3.84Å; K45-D48 WeakPolarHBondContact O-CB 3.45Å; K45-D48 PolarHBondContact O-N 2.78Å; K45-I75 PolarHBondContact NZ-O 3.01Å; K45-Y79 WeakPolarHBondContact CE-OH 3.4Å
46Q93.4Very high93.8Very high53 Ų5332.4 Ų32.425%0.24818%0.175CC..THydrogen-bonded Turntrans-55.7-32.8176.5-59.4-159.81.100112.6L41 D48 I49 G141 P143 E240L41-Q46 WeakPolarHBondContact O-CA 3.45Å; L41-Q46 WeakPolarHBondContact O-CG 3.37Å; Q46-D48 PolarHBondContact O-N 3.33Å; Q46-I49 HydrophobicContact CB-CD1 4.49Å; Q46-I49 VanDerWaalsContact O-CB 3.3Å; Q46-I49 WeakPolarHBondContact O-CB 3.48Å; Q46-I49 WeakPolarHBondContact O-CD1 3.27Å; Q46-I49 VanDerWaalsContact O-CG1 3.23Å; Q46-I49 WeakPolarHBondContact O-CG1 3.42Å; Q46-I49 PolarHBondContact O-N 3.15Å; Q46-I49 VanDerWaalsContact O-N 3.07Å; Q46-G141 PolarHBondContact NE2-O 3.03Å; Q46-G141 VanDerWaalsContact NE2-O 3.11Å; Q46-P143 HydrophobicContact CB-CG 4.41Å; Q46-P143 HydrophobicContact CG-CG 4.42Å; Q46-E240 WeakPolarHBondContact CG-OE1 3.49Å; Q46-E240 PolarHBondContact NE2-OE1 2.52Å
47C93.6Very high93.8Very high89 Ų8939.2 Ų39.260%0.60120%0.201SC*.THydrogen-bonded Turntrans-62.8-22.2176.162.50000113.9K45 I49K45-C47 PolarHBondContact O-N 2.93Å; K45-C47 VanDerWaalsContact O-N 3.15Å; C47-I49 PolarHBondContact O-N 2.95Å
48D95Very high93.8Very high2 Ų239.8 Ų39.81%0.01120%0.204CC..Hα-helixtrans-73.5-15.1176.1-74.7-7.1000112.2Y36 L41 K45 Q46 A50 K51 W52Y36-D48 WeakPolarHBondContact OH-CB 3.4Å; Y36-D48 PolarHBondContact OH-OD2 2.73Å; L41-D48 HydrophobicContact CD2-CB 3.75Å; K45-D48 HydrophobicContact CB-CB 4.26Å; K45-D48 WeakPolarHBondContact CD-OD2 3.46Å; K45-D48 IonicContact NZ-OD2 3.84Å; K45-D48 WeakPolarHBondContact O-CB 3.45Å; K45-D48 PolarHBondContact O-N 2.78Å; Q46-D48 PolarHBondContact O-N 3.33Å; D48-A50 VanDerWaalsContact C-N 3.26Å; D48-A50 PolarHBondContact O-N 3.35Å; D48-K51 WeakPolarHBondContact O-CB 3.44Å; D48-K51 PolarHBondContact O-N 3.4Å; D48-K51 WeakPolarHBondContact OD1-CD 3.47Å; D48-K51 WeakPolarHBondContact OD1-CE 3.3Å; D48-K51 IonicContact OD1-NZ 2.75Å; D48-K51 PolarHBondContact OD1-NZ 2.83Å; D48-W52 PolarHBondContact O-N 2.74Å
49I95.3Very high93.9Very high8 Ų839.7 Ų39.74%0.04120%0.2CC..Hα-helixtrans-55-46.1175.4-65.5168.4000110.2L41 Q46 C47 K51 W52 Q53 P143 E145 L146 L149L41-I49 HydrophobicContact CB-CG1 4.16Å; L41-I49 HydrophobicContact CD2-CG1 4.21Å; Q46-I49 HydrophobicContact CB-CD1 4.49Å; Q46-I49 VanDerWaalsContact O-CB 3.3Å; Q46-I49 WeakPolarHBondContact O-CB 3.48Å; Q46-I49 WeakPolarHBondContact O-CD1 3.27Å; Q46-I49 VanDerWaalsContact O-CG1 3.23Å; Q46-I49 WeakPolarHBondContact O-CG1 3.42Å; Q46-I49 PolarHBondContact O-N 3.15Å; Q46-I49 VanDerWaalsContact O-N 3.07Å; C47-I49 PolarHBondContact O-N 2.95Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.35Å; I49-W52 PolarHBondContact O-N 3.2Å; I49-Q53 WeakPolarHBondContact O-CB 3.38Å; I49-Q53 PolarHBondContact O-N 3.31Å; I49-P143 HydrophobicContact CD1-CB 4.06Å; I49-P143 HydrophobicContact CD1-CG 3.86Å; I49-E145 HydrophobicContact CG2-CB 3.89Å; I49-L146 HydrophobicContact CD1-CB 4.14Å; I49-L146 HydrophobicContact CG1-CD1 4.42Å; I49-L149 HydrophobicContact CG2-CB 4.44Å; I49-L149 HydrophobicContact CG2-CD2 4.16Å
50A95.4Very high93.9Very high65 Ų6543.2 Ų43.254%0.53721%0.213SC..Hα-helixtrans-65.1-37.5177.800000112.2D48 Q53 T54D48-A50 VanDerWaalsContact C-N 3.26Å; D48-A50 PolarHBondContact O-N 3.35Å; A50-Q53 PolarHBondContact O-N 3.22Å; A50-T54 PolarHBondContact O-N 2.97Å; A50-T54 PolarHBondContact O-OG1 3.18Å; A50-T54 VanDerWaalsContact O-OG1 3.12Å
51K95.3Very high93.9Very high68 Ų6846.4 Ų46.430%0.29623%0.233SC..Hα-helixtrans-66.8-43.4177.8-59-178.2-170.8158.60111.7D48 I49 Q53 T54 L55 I75D48-K51 WeakPolarHBondContact O-CB 3.44Å; D48-K51 PolarHBondContact O-N 3.4Å; D48-K51 WeakPolarHBondContact OD1-CD 3.47Å; D48-K51 WeakPolarHBondContact OD1-CE 3.3Å; D48-K51 IonicContact OD1-NZ 2.75Å; D48-K51 PolarHBondContact OD1-NZ 2.83Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.35Å; K51-Q53 VanDerWaalsContact C-N 3.31Å; K51-Q53 PolarHBondContact O-N 3.34Å; K51-T54 WeakPolarHBondContact O-CB 3.27Å; K51-T54 PolarHBondContact O-N 2.89Å; K51-T54 VanDerWaalsContact O-N 3.17Å; K51-L55 PolarHBondContact O-N 2.63Å; K51-I75 HydrophobicContact CB-CD1 3.79Å; K51-I75 HydrophobicContact CB-CG1 4.02Å; K51-I75 HydrophobicContact CD-CG1 3.96Å
52W95.7Very high93.7Very high0 Ų049.6 Ų49.60%025%0.252CS..Hα-helixtrans-62.8-38.6173.4-76.1114.7000112.1Y36 D48 I49 T54 L55 V56 L72 I75 H86 A87 L90 M94 L149Y36-W52 HydrophobicContact CE1-CZ2 4.09Å; Y36-W52 AromaticContact CE1-NE1 3.84Å; Y36-W52 AromaticContact CZ-NE1 3.69Å; Y36-W52 PolarHBondContact OH-NE1 2.64Å; D48-W52 PolarHBondContact O-N 2.74Å; I49-W52 PolarHBondContact O-N 3.2Å; W52-T54 VanDerWaalsContact C-N 3.31Å; W52-T54 PolarHBondContact O-N 3.19Å; W52-L55 HydrophobicContact CD2-CD1 4.33Å; W52-L55 HydrophobicContact CE3-CD1 3.48Å; W52-L55 VanDerWaalsContact CE3-CD1 3.48Å; W52-L55 HydrophobicContact CZ3-CD1 3.59Å; W52-L55 WeakPolarHBondContact O-CB 3.45Å; W52-L55 PolarHBondContact O-N 2.99Å; W52-L55 VanDerWaalsContact O-N 3.15Å; W52-V56 WeakPolarHBondContact O-CG2 3.37Å; W52-V56 PolarHBondContact O-N 2.9Å; W52-L72 HydrophobicContact CH2-CD2 4.08Å; W52-L72 HydrophobicContact CZ3-CD2 3.98Å; W52-I75 HydrophobicContact CD2-CD1 3.84Å; W52-I75 HydrophobicContact CE3-CD1 4.2Å; W52-I75 HydrophobicContact CG-CD1 4.2Å; W52-I75 HydrophobicContact CH2-CG2 4.37Å; W52-I75 HydrophobicContact CZ2-CB 4.45Å; W52-I75 HydrophobicContact CZ2-CD1 4.23Å; W52-I75 HydrophobicContact CZ2-CG2 3.48Å; W52-I75 VanDerWaalsContact CZ2-CG2 3.48Å; W52-I75 HydrophobicContact CZ3-CD1 4.49Å; W52-H86 AromaticContact CD1-CD2 3.98Å; W52-H86 AromaticContact CD1-NE2 3.6Å; W52-H86 AromaticContact CD2-CD2 3.57Å; W52-H86 AromaticContact CD2-NE2 3.41Å; W52-H86 AromaticContact CE2-CD2 3.75Å; W52-H86 AromaticContact CE2-NE2 3.05Å; W52-H86 AromaticContact CG-CD2 3.73Å; W52-H86 AromaticContact CG-NE2 3.73Å; W52-H86 AromaticContact CZ2-NE2 3.45Å; W52-H86 WeakPolarHBondContact CZ2-NE2 3.31Å; W52-H86 AromaticContact NE1-CD2 3.99Å; W52-H86 AromaticContact NE1-NE2 3.19Å; W52-H86 PolarHBondContact NE1-NE2 2.91Å; W52-H86 VanDerWaalsContact NE1-NE2 3.19Å; W52-A87 HydrophobicContact CE3-CB 3.91Å; W52-A87 HydrophobicContact CH2-CB 3.64Å; W52-A87 HydrophobicContact CZ3-CB 3.27Å; W52-L90 HydrophobicContact CZ3-CD1 3.89Å; W52-M94 HydrophobicContact CH2-CE 4.05Å; W52-M94 HydrophobicContact CZ3-CE 4.33Å; W52-L149 HydrophobicContact CB-CD1 3.67Å; W52-L149 HydrophobicContact CB-CD2 3.61Å; W52-L149 HydrophobicContact CB-CG 4.3Å; W52-L149 HydrophobicContact CG-CD2 4.3Å
53Q95.3Very high93.6Very high38 Ų3858.3 Ų58.318%0.17828%0.284CS..Hα-helixtrans-65.2-35.1174.2-168.367.753.700112I49 A50 K51 V56 Y57 D152I49-Q53 WeakPolarHBondContact O-CB 3.38Å; I49-Q53 PolarHBondContact O-N 3.31Å; A50-Q53 PolarHBondContact O-N 3.22Å; K51-Q53 VanDerWaalsContact C-N 3.31Å; K51-Q53 PolarHBondContact O-N 3.34Å; Q53-V56 WeakPolarHBondContact O-CB 3.36Å; Q53-V56 PolarHBondContact O-N 3.4Å; Q53-Y57 PolarHBondContact O-N 2.95Å; Q53-D152 PolarHBondContact NE2-OD2 3.15Å
54T94.6Very high93.7Very high70 Ų7059.5 Ų59.543%0.42929%0.293SS..Hα-helixtrans-62.4-42.3170.3-610000111.3A50 K51 W52 V56 Y57 E58A50-T54 PolarHBondContact O-N 2.97Å; A50-T54 PolarHBondContact O-OG1 3.18Å; A50-T54 VanDerWaalsContact O-OG1 3.12Å; K51-T54 WeakPolarHBondContact O-CB 3.27Å; K51-T54 PolarHBondContact O-N 2.89Å; K51-T54 VanDerWaalsContact O-N 3.17Å; W52-T54 VanDerWaalsContact C-N 3.31Å; W52-T54 PolarHBondContact O-N 3.19Å; T54-V56 PolarHBondContact O-N 3.05Å; T54-Y57 WeakPolarHBondContact O-CB 3.3Å; T54-Y57 PolarHBondContact O-N 3.27Å; T54-Y57 VanDerWaalsContact O-N 3.17Å; T54-E58 HydrophobicContact CG2-CG 4.17Å; T54-E58 WeakPolarHBondContact O-CG 3.37Å; T54-E58 PolarHBondContact O-N 2.98Å
55L95.4Very high93.7Very high2 Ų258 Ų581%0.0129%0.292CS..Hα-helixtrans-60.4-44.8174.4-79.2170.1000112.2K51 W52 Y57 E58 V59 I68 C71 L72 I75 W89 L90K51-L55 PolarHBondContact O-N 2.63Å; W52-L55 HydrophobicContact CD2-CD1 4.33Å; W52-L55 HydrophobicContact CE3-CD1 3.48Å; W52-L55 VanDerWaalsContact CE3-CD1 3.48Å; W52-L55 HydrophobicContact CZ3-CD1 3.59Å; W52-L55 WeakPolarHBondContact O-CB 3.45Å; W52-L55 PolarHBondContact O-N 2.99Å; W52-L55 VanDerWaalsContact O-N 3.15Å; L55-Y57 VanDerWaalsContact C-N 3.28Å; L55-Y57 PolarHBondContact O-N 2.89Å; L55-E58 PolarHBondContact O-N 2.9Å; L55-V59 WeakPolarHBondContact O-CG2 3.29Å; L55-V59 PolarHBondContact O-N 3Å; L55-I68 HydrophobicContact CD2-CB 4.22Å; L55-I68 HydrophobicContact CD2-CG1 4.39Å; L55-I68 HydrophobicContact CD2-CG2 3.89Å; L55-C71 HydrophobicContact CD1-CB 4.4Å; L55-C71 HydrophobicContact CD2-CB 3.83Å; L55-C71 HydrophobicContact CG-CB 4.03Å; L55-L72 HydrophobicContact CD1-CD2 3.91Å; L55-L72 HydrophobicContact CD1-CG 4.22Å; L55-L72 HydrophobicContact CD2-CG 4.36Å; L55-I75 HydrophobicContact CD1-CD1 3.65Å; L55-W89 HydrophobicContact CB-CH2 4.28Å; L55-L90 HydrophobicContact CB-CD1 4.4Å; L55-L90 HydrophobicContact CD1-CD1 4.17Å
56V94.5Very high93.8Very high2 Ų261.9 Ų61.91%0.01231%0.31CS..Hα-helixtrans-54.1-47.3173166.20000110.4W52 Q53 T54 R60 W89 L149 D152 L156W52-V56 WeakPolarHBondContact O-CG2 3.37Å; W52-V56 PolarHBondContact O-N 2.9Å; Q53-V56 WeakPolarHBondContact O-CB 3.36Å; Q53-V56 PolarHBondContact O-N 3.4Å; T54-V56 PolarHBondContact O-N 3.05Å; V56-R60 WeakPolarHBondContact O-CB 3.49Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.36Å; V56-R60 PolarHBondContact O-N 3.01Å; V56-R60 VanDerWaalsContact O-N 3.14Å; V56-W89 HydrophobicContact CG2-CH2 4.19Å; V56-W89 HydrophobicContact CG2-CZ2 3.66Å; V56-L149 HydrophobicContact CG2-CD1 4.02Å; V56-D152 HydrophobicContact CG1-CB 3.71Å; V56-L156 HydrophobicContact CB-CD1 4.14Å; V56-L156 HydrophobicContact CG1-CD1 3.87Å; V56-L156 HydrophobicContact CG2-CD1 4.03Å
57Y94.3Very high93.8Very high142 Ų14263.8 Ų63.856%0.55732%0.318SS*.Hα-helixtrans-63.7-50179.2174.6-94.3000112.3Q53 T54 L55 V59 R60 T61Q53-Y57 PolarHBondContact O-N 2.95Å; T54-Y57 WeakPolarHBondContact O-CB 3.3Å; T54-Y57 PolarHBondContact O-N 3.27Å; T54-Y57 VanDerWaalsContact O-N 3.17Å; L55-Y57 VanDerWaalsContact C-N 3.28Å; L55-Y57 PolarHBondContact O-N 2.89Å; Y57-V59 VanDerWaalsContact C-N 3.32Å; Y57-V59 PolarHBondContact O-N 3.49Å; Y57-R60 PolarHBondContact O-N 3.06Å; Y57-T61 HydrophobicContact CD2-CG2 4.02Å; Y57-T61 HydrophobicContact CE1-CG2 4.5Å; Y57-T61 WeakPolarHBondContact CE1-OG1 3.32Å; Y57-T61 HydrophobicContact CE2-CG2 3.68Å; Y57-T61 WeakPolarHBondContact O-CB 3.41Å; Y57-T61 WeakPolarHBondContact O-CG2 3.26Å; Y57-T61 PolarHBondContact O-N 2.9Å; Y57-T61 PolarHBondContact O-OG1 3.5Å
58E94.4Very high93.9Very high23 Ų2359.7 Ų59.711%0.10729%0.29CS..Hα-helixtrans-61.7-40-177.3-69.3-72.1176.100110.9T54 L55 T61 T62 R63 K67 I68T54-E58 HydrophobicContact CG2-CG 4.17Å; T54-E58 WeakPolarHBondContact O-CG 3.37Å; T54-E58 PolarHBondContact O-N 2.98Å; L55-E58 PolarHBondContact O-N 2.9Å; E58-T61 PolarHBondContact O-N 3.07Å; E58-T62 PolarHBondContact O-N 3.46Å; E58-T62 PolarHBondContact O-OG1 3.27Å; E58-T62 WeakPolarHBondContact OE2-CB 3.17Å; E58-T62 VanDerWaalsContact OE2-CG2 3.24Å; E58-T62 WeakPolarHBondContact OE2-CG2 3.45Å; E58-T62 PolarHBondContact OE2-OG1 3.02Å; E58-R63 PolarHBondContact O-N 3.21Å; E58-K67 WeakPolarHBondContact OE1-CD 3.5Å; E58-K67 IonicContact OE1-NZ 3.03Å; E58-K67 PolarHBondContact OE1-NZ 3.12Å; E58-K67 WeakPolarHBondContact OE2-CD 3.41Å; E58-K67 IonicContact OE2-NZ 3.45Å; E58-K67 PolarHBondContact OE2-NZ 3.37Å; E58-I68 HydrophobicContact CB-CG1 4.29Å
59V91.9Very high93.8Very high16 Ų1661 Ų6110%0.09730%0.296CS..Hα-helixtrans-70.5-33.4177.6171.80000113.2L55 Y57 R63 I68 W89 L90 L156L55-V59 WeakPolarHBondContact O-CG2 3.29Å; L55-V59 PolarHBondContact O-N 3Å; Y57-V59 VanDerWaalsContact C-N 3.32Å; Y57-V59 PolarHBondContact O-N 3.49Å; V59-R63 WeakPolarHBondContact O-CG 3.26Å; V59-R63 PolarHBondContact O-NE 3.38Å; V59-I68 HydrophobicContact CG2-CD1 3.65Å; V59-I68 HydrophobicContact CG2-CG1 4.04Å; V59-W89 HydrophobicContact CB-CE3 4.46Å; V59-W89 HydrophobicContact CB-CH2 4.27Å; V59-W89 HydrophobicContact CB-CZ3 3.57Å; V59-W89 HydrophobicContact CG1-CE3 4.07Å; V59-W89 HydrophobicContact CG1-CZ3 3.66Å; V59-W89 HydrophobicContact CG2-CE3 4.49Å; V59-W89 HydrophobicContact CG2-CH2 4.09Å; V59-W89 HydrophobicContact CG2-CZ3 3.45Å; V59-W89 VanDerWaalsContact CG2-CZ3 3.45Å; V59-L90 HydrophobicContact CG2-CD2 3.72Å; V59-L156 HydrophobicContact CG1-CD2 4.46Å
60R90.9Very high93.8Very high107 Ų10767 Ų6740%0.40432%0.318SS..Hα-helixtrans-76.3-23176.2-69.2-179.894.4-165.24.1113.3V56 Y57 L156 D161V56-R60 WeakPolarHBondContact O-CB 3.49Å; V56-R60 VanDerWaalsContact O-CG 3.26Å; V56-R60 WeakPolarHBondContact O-CG 3.36Å; V56-R60 PolarHBondContact O-N 3.01Å; V56-R60 VanDerWaalsContact O-N 3.14Å; Y57-R60 PolarHBondContact O-N 3.06Å; R60-L156 HydrophobicContact CG-CD1 4.26Å; R60-L156 HydrophobicContact CG-CD2 3.7Å; R60-L156 HydrophobicContact CG-CG 4.28Å; R60-D161 IonicContact CZ-OD1 2.67Å; R60-D161 IonicContact NE-OD1 3.83Å; R60-D161 IonicContact NH2-OD1 3.84Å; R60-D161 PolarHBondContact NH2-OD1 3.03Å; R60-D161 IonicContact NH2-OD2 2.81Å
61T92.9Very high93.7Very high72 Ų7264.9 Ų64.944%0.44230%0.299SS..THydrogen-bonded Turntrans-116.6-71.2-17159.50000113.3Y57 E58Y57-T61 HydrophobicContact CD2-CG2 4.02Å; Y57-T61 HydrophobicContact CE1-CG2 4.5Å; Y57-T61 WeakPolarHBondContact CE1-OG1 3.32Å; Y57-T61 HydrophobicContact CE2-CG2 3.68Å; Y57-T61 WeakPolarHBondContact O-CB 3.41Å; Y57-T61 WeakPolarHBondContact O-CG2 3.26Å; Y57-T61 PolarHBondContact O-N 2.9Å; Y57-T61 PolarHBondContact O-OG1 3.5Å; E58-T61 PolarHBondContact O-N 3.07Å
62T90.4Very high93.6Very high68 Ų6861.6 Ų61.642%0.41729%0.285SS..THydrogen-bonded Turntrans-87.4-32.2-169.575.60000113.2E58 C64E58-T62 PolarHBondContact O-N 3.46Å; E58-T62 PolarHBondContact O-OG1 3.27Å; E58-T62 WeakPolarHBondContact OE2-CB 3.17Å; E58-T62 VanDerWaalsContact OE2-CG2 3.24Å; E58-T62 WeakPolarHBondContact OE2-CG2 3.45Å; E58-T62 PolarHBondContact OE2-OG1 3.02Å; T62-C64 PolarHBondContact O-N 3.2Å; T62-C64 WeakPolarHBondContact OG1-CB 3.43Å; T62-C64 PolarHBondContact OG1-N 3.4Å; T62-C64 VanDerWaalsContact OG1-N 3.08Å
63R90.5Very high93.5Very high193 Ų19363.1 Ų63.173%0.72830%0.296SS*.  trans4933.2-167.4-62.6-178177.2-176.50.9113.2E58 V59 E65E58-R63 PolarHBondContact O-N 3.21Å; V59-R63 WeakPolarHBondContact O-CG 3.26Å; V59-R63 PolarHBondContact O-NE 3.38Å; R63-E65 PolarHBondContact O-N 3.25Å
64C93.4Very high93.5Very high44 Ų4466.5 Ų66.530%0.29731%0.311SS..  trans-72.1101.4179.1-178.50000110.3T62 E66 K67 I68T62-C64 PolarHBondContact O-N 3.2Å; T62-C64 WeakPolarHBondContact OG1-CB 3.43Å; T62-C64 PolarHBondContact OG1-N 3.4Å; T62-C64 VanDerWaalsContact OG1-N 3.08Å; C64-E66 VanDerWaalsContact C-N 3.3Å; C64-E66 PolarHBondContact O-N 2.93Å; C64-K67 HydrophobicContact CB-CB 4.17Å; C64-K67 HydrophobicContact CB-CD 3.97Å; C64-K67 HydrophobicContact CB-CG 4.15Å; C64-K67 PolarHBondContact O-N 3.4Å; C64-K67 VanDerWaalsContact O-N 3.13Å; C64-I68 WeakPolarHBondContact O-CG1 3.45Å; C64-I68 PolarHBondContact O-N 2.99Å
65E93Very high93.4Very high108 Ų10863.1 Ų63.151%0.50529%0.291SS..Hα-helixtrans-53.8-43.8-177-172.2176.8158.700112.5R63 K67 I68 H69R63-E65 PolarHBondContact O-N 3.25Å; E65-K67 PolarHBondContact O-N 2.89Å; E65-I68 PolarHBondContact O-N 3.15Å; E65-H69 WeakPolarHBondContact CG-CE1 3.28Å; E65-H69 WeakPolarHBondContact O-CB 3.46Å; E65-H69 VanDerWaalsContact O-CG 3.27Å; E65-H69 PolarHBondContact O-N 2.91Å; E65-H69 IonicContact OE1-CE1 3.61Å; E65-H69 PolarHBondContact OE1-CE1 2.75Å; E65-H69 IonicContact OE1-ND1 2.57Å; E65-H69 IonicContact OE1-NE2 3.92Å
66E94.1Very high93.4Very high129 Ų12963.1 Ų63.160%0.60329%0.29SS*.Hα-helixtrans-59.9-43.7179.2-166.6-164.3150.300112.3C64 R70C64-E66 VanDerWaalsContact C-N 3.3Å; C64-E66 PolarHBondContact O-N 2.93Å; E66-R70 VanDerWaalsContact O-CB 3.29Å; E66-R70 WeakPolarHBondContact O-CB 3.21Å; E66-R70 PolarHBondContact O-N 2.93Å; E66-R70 IonicContact OE1-CZ 2.76Å; E66-R70 IonicContact OE1-NH2 2.86Å; E66-R70 PolarHBondContact OE1-NH2 2.81Å
67K94.6Very high93.3Very high93 Ų9367.4 Ų67.440%0.40431%0.314SS..Hα-helixtrans-67.3-42.7177.7-72.9-177.8178.7-176.40111.6E58 C64 E65 R70 C71E58-K67 WeakPolarHBondContact OE1-CD 3.5Å; E58-K67 IonicContact OE1-NZ 3.03Å; E58-K67 PolarHBondContact OE1-NZ 3.12Å; E58-K67 WeakPolarHBondContact OE2-CD 3.41Å; E58-K67 IonicContact OE2-NZ 3.45Å; E58-K67 PolarHBondContact OE2-NZ 3.37Å; C64-K67 HydrophobicContact CB-CB 4.17Å; C64-K67 HydrophobicContact CB-CD 3.97Å; C64-K67 HydrophobicContact CB-CG 4.15Å; C64-K67 PolarHBondContact O-N 3.4Å; C64-K67 VanDerWaalsContact O-N 3.13Å; E65-K67 PolarHBondContact O-N 2.89Å; K67-R70 PolarHBondContact O-N 3.05Å; K67-C71 WeakPolarHBondContact O-CB 3.47Å; K67-C71 PolarHBondContact O-N 3.33Å
68I94.3Very high93.3Very high3 Ų362.2 Ų62.22%0.01530%0.303CS..Hα-helixtrans-61-49.7178.4-66.7160.9000109.3L55 E58 V59 C64 E65 R70 C71 L72 L90 E93L55-I68 HydrophobicContact CD2-CB 4.22Å; L55-I68 HydrophobicContact CD2-CG1 4.39Å; L55-I68 HydrophobicContact CD2-CG2 3.89Å; E58-I68 HydrophobicContact CB-CG1 4.29Å; V59-I68 HydrophobicContact CG2-CD1 3.65Å; V59-I68 HydrophobicContact CG2-CG1 4.04Å; C64-I68 WeakPolarHBondContact O-CG1 3.45Å; C64-I68 PolarHBondContact O-N 2.99Å; E65-I68 PolarHBondContact O-N 3.15Å; I68-R70 PolarHBondContact O-N 2.94Å; I68-C71 PolarHBondContact O-N 3.48Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.35Å; I68-L72 WeakPolarHBondContact O-CB 3.45Å; I68-L72 WeakPolarHBondContact O-CG 3.28Å; I68-L72 PolarHBondContact O-N 2.57Å; I68-L90 HydrophobicContact CG2-CD2 4.08Å; I68-E93 HydrophobicContact CG2-CB 3.99Å; I68-E93 HydrophobicContact CG2-CG 4Å
69H94.1Very high93.3Very high29 Ų2961.5 Ų61.513%0.13430%0.299CS..Hα-helixtrans-63.5-39.8179.8-72.7-176.6000112.9E65 S73 E93 L97E65-H69 WeakPolarHBondContact CG-CE1 3.28Å; E65-H69 WeakPolarHBondContact O-CB 3.46Å; E65-H69 VanDerWaalsContact O-CG 3.27Å; E65-H69 PolarHBondContact O-N 2.91Å; E65-H69 IonicContact OE1-CE1 3.61Å; E65-H69 PolarHBondContact OE1-CE1 2.75Å; E65-H69 IonicContact OE1-ND1 2.57Å; E65-H69 IonicContact OE1-NE2 3.92Å; H69-S73 WeakPolarHBondContact O-CB 3.42Å; H69-S73 PolarHBondContact O-N 2.97Å; H69-S73 PolarHBondContact O-OG 2.9Å; H69-E93 PolarHBondContact NE2-O 2.76Å; H69-L97 HydrophobicContact CB-CD1 4Å; H69-L97 HydrophobicContact CB-CD2 4.37Å
70R94.4Very high93.4Very high136 Ų13660.8 Ų60.851%0.51330%0.295SS..Hα-helixtrans-60.8-50.4174.7-170.3-174.5-54.3174.12111.4E66 K67 I68 S73 E74E66-R70 VanDerWaalsContact O-CB 3.29Å; E66-R70 WeakPolarHBondContact O-CB 3.21Å; E66-R70 PolarHBondContact O-N 2.93Å; E66-R70 IonicContact OE1-CZ 2.76Å; E66-R70 IonicContact OE1-NH2 2.86Å; E66-R70 PolarHBondContact OE1-NH2 2.81Å; K67-R70 PolarHBondContact O-N 3.05Å; I68-R70 PolarHBondContact O-N 2.94Å; R70-S73 PolarHBondContact O-N 3.03Å; R70-E74 WeakPolarHBondContact O-CG 3.39Å; R70-E74 PolarHBondContact O-N 3.11Å
71C93.9Very high93.6Very high19 Ų1955.7 Ų55.713%0.12828%0.276CS..Hα-helixtrans-65.8-40.9-179.4-169.20000112L55 K67 I68 S73 E74 I75L55-C71 HydrophobicContact CD1-CB 4.4Å; L55-C71 HydrophobicContact CD2-CB 3.83Å; L55-C71 HydrophobicContact CG-CB 4.03Å; K67-C71 WeakPolarHBondContact O-CB 3.47Å; K67-C71 PolarHBondContact O-N 3.33Å; I68-C71 PolarHBondContact O-N 3.48Å; C71-S73 PolarHBondContact O-N 3.38Å; C71-E74 PolarHBondContact O-N 3.12Å; C71-I75 VanDerWaalsContact O-CG1 3.3Å; C71-I75 WeakPolarHBondContact O-CG1 3.43Å; C71-I75 PolarHBondContact O-N 3.47Å
72L94Very high93.7Very high0 Ų052.3 Ų52.30%026%0.255CS..Hα-helixtrans-58.2-47.1172.8-79.1175.4000112W52 L55 I68 E74 I75 L76 L90 E93 M94 L97W52-L72 HydrophobicContact CH2-CD2 4.08Å; W52-L72 HydrophobicContact CZ3-CD2 3.98Å; L55-L72 HydrophobicContact CD1-CD2 3.91Å; L55-L72 HydrophobicContact CD1-CG 4.22Å; L55-L72 HydrophobicContact CD2-CG 4.36Å; I68-L72 HydrophobicContact CG2-CD1 3.83Å; I68-L72 HydrophobicContact CG2-CG 4.35Å; I68-L72 WeakPolarHBondContact O-CB 3.45Å; I68-L72 WeakPolarHBondContact O-CG 3.28Å; I68-L72 PolarHBondContact O-N 2.57Å; L72-E74 VanDerWaalsContact C-N 3.32Å; L72-E74 PolarHBondContact O-N 3.4Å; L72-I75 PolarHBondContact O-N 2.86Å; L72-L76 HydrophobicContact CD2-CD1 4.41Å; L72-L76 WeakPolarHBondContact O-CB 3.39Å; L72-L76 WeakPolarHBondContact O-CG 3.24Å; L72-L76 PolarHBondContact O-N 2.94Å; L72-L90 HydrophobicContact CD2-CD1 3.99Å; L72-E93 HydrophobicContact CD1-CB 4.28Å; L72-M94 HydrophobicContact CD1-CG 3.96Å; L72-M94 HydrophobicContact CD2-CE 3.4Å; L72-M94 VanDerWaalsContact CD2-CE 3.4Å; L72-M94 HydrophobicContact CD2-CG 4.31Å; L72-L97 HydrophobicContact CB-CD2 3.75Å; L72-L97 HydrophobicContact CD1-CD2 4.3Å
73S93.2Very high93.7Very high32 Ų3249 Ų4922%0.22424%0.235CC..Hα-helixtrans-61.7-39.7179.2-60.10000111.9H69 R70 C71 N77H69-S73 WeakPolarHBondContact O-CB 3.42Å; H69-S73 PolarHBondContact O-N 2.97Å; H69-S73 PolarHBondContact O-OG 2.9Å; R70-S73 PolarHBondContact O-N 3.03Å; C71-S73 PolarHBondContact O-N 3.38Å; S73-N77 WeakPolarHBondContact O-CB 3.35Å; S73-N77 PolarHBondContact O-N 3.47Å
74E93.7Very high92.7Very high108 Ų10839.9 Ų39.951%0.50520%0.2SC..Hα-helixtrans-66.1-43.9176.6-74.1174.7-164.900112.8R70 C71 L72R70-E74 WeakPolarHBondContact O-CG 3.39Å; R70-E74 PolarHBondContact O-N 3.11Å; C71-E74 PolarHBondContact O-N 3.12Å; L72-E74 VanDerWaalsContact C-N 3.32Å; L72-E74 PolarHBondContact O-N 3.4Å
75I94Very high91.4Very high0 Ų038.3 Ų38.30%019%0.19CC..Hα-helixtrans-67.5-45.8-178.7-67.8167.6000110.9Y36 K45 K51 W52 L55 C71 L72 N77Y36-I75 HydrophobicContact CD2-CG2 4.31Å; Y36-I75 HydrophobicContact CE1-CG2 4.5Å; Y36-I75 HydrophobicContact CE2-CG2 3.5Å; K45-I75 PolarHBondContact NZ-O 3.01Å; K51-I75 HydrophobicContact CB-CD1 3.79Å; K51-I75 HydrophobicContact CB-CG1 4.02Å; K51-I75 HydrophobicContact CD-CG1 3.96Å; W52-I75 HydrophobicContact CD2-CD1 3.84Å; W52-I75 HydrophobicContact CE3-CD1 4.2Å; W52-I75 HydrophobicContact CG-CD1 4.2Å; W52-I75 HydrophobicContact CH2-CG2 4.37Å; W52-I75 HydrophobicContact CZ2-CB 4.45Å; W52-I75 HydrophobicContact CZ2-CD1 4.23Å; W52-I75 HydrophobicContact CZ2-CG2 3.48Å; W52-I75 VanDerWaalsContact CZ2-CG2 3.48Å; W52-I75 HydrophobicContact CZ3-CD1 4.49Å; L55-I75 HydrophobicContact CD1-CD1 3.65Å; C71-I75 VanDerWaalsContact O-CG1 3.3Å; C71-I75 WeakPolarHBondContact O-CG1 3.43Å; C71-I75 PolarHBondContact O-N 3.47Å; L72-I75 PolarHBondContact O-N 2.86Å; I75-N77 VanDerWaalsContact C-N 3.35Å
76L93.8Very high90.3Very high1 Ų133.3 Ų33.31%0.00517%0.166CC..Hα-helixtrans-89.11.1-172.9-59178.4000113.4V8 Y36 L72 G78 Y79 V82 M94 Y98V8-L76 HydrophobicContact CG2-CB 4.27Å; V8-L76 HydrophobicContact CG2-CD1 4.23Å; Y36-L76 HydrophobicContact CD2-CD2 3.89Å; Y36-L76 HydrophobicContact CG-CD2 3.9Å; L72-L76 HydrophobicContact CD2-CD1 4.41Å; L72-L76 WeakPolarHBondContact O-CB 3.39Å; L72-L76 WeakPolarHBondContact O-CG 3.24Å; L72-L76 PolarHBondContact O-N 2.94Å; L76-G78 PolarHBondContact O-N 3.01Å; L76-Y79 WeakPolarHBondContact O-CB 3.43Å; L76-Y79 PolarHBondContact O-N 3.24Å; L76-V82 HydrophobicContact CD2-CB 4.08Å; L76-V82 HydrophobicContact CD2-CG2 3.71Å; L76-M94 HydrophobicContact CD1-CE 4.41Å; L76-Y98 HydrophobicContact CD1-CE2 4.09Å
77N93.4Very high89.2Confident93 Ų9327.1 Ų27.150%0.49714%0.138SC..THydrogen-bonded Turntrans-54.8127.4175.1-172.955.2000111.4S73 I75S73-N77 WeakPolarHBondContact O-CB 3.35Å; S73-N77 PolarHBondContact O-N 3.47Å; I75-N77 VanDerWaalsContact C-N 3.35Å
78G93.4Very high88.8Confident32 Ų3222.8 Ų22.833%0.3312%0.119SC..THydrogen-bonded Turntrans84.31.5-178.600000115.6L76L76-G78 PolarHBondContact O-N 3.01Å
79Y94.4Very high88.5Confident8 Ų823.8 Ų23.83%0.03112%0.123CC..  trans-103.3130.5176.5-67.8-89.4000111.4P34 Y36 E40 R44 K45 L76P34-Y79 HydrophobicContact CB-CD1 3.64Å; P34-Y79 HydrophobicContact CB-CE1 3.87Å; P34-Y79 HydrophobicContact CB-CG 4.5Å; P34-Y79 WeakPolarHBondContact O-CA 3.47Å; Y36-Y79 HydrophobicContact CD2-CD1 4.27Å; Y36-Y79 AromaticContact CD2-CD2 3.68Å; Y36-Y79 HydrophobicContact CD2-CD2 3.68Å; Y36-Y79 AromaticContact CD2-CE1 3.98Å; Y36-Y79 HydrophobicContact CD2-CE1 3.98Å; Y36-Y79 AromaticContact CD2-CE2 3.36Å; Y36-Y79 HydrophobicContact CD2-CE2 3.36Å; Y36-Y79 HydrophobicContact CD2-CG 4.1Å; Y36-Y79 AromaticContact CD2-CZ 3.5Å; Y36-Y79 VanDerWaalsContact CD2-CZ 3.5Å; Y36-Y79 AromaticContact CE2-CE2 3.97Å; Y36-Y79 HydrophobicContact CE2-CE2 3.97Å; Y36-Y79 HydrophobicContact CG-CD1 4.42Å; Y36-Y79 HydrophobicContact CG-CE1 4.26Å; Y36-Y79 HydrophobicContact CG-CE2 4.36Å; E40-Y79 HydrophobicContact CG-CE1 4.47Å; R44-Y79 PolarHBondContact NE-OH 3.03Å; R44-Y79 VanDerWaalsContact NH2-CE1 3.31Å; R44-Y79 PolarHBondContact NH2-OH 3.07Å; K45-Y79 WeakPolarHBondContact CE-OH 3.4Å; L76-Y79 WeakPolarHBondContact O-CB 3.43Å; L76-Y79 PolarHBondContact O-N 3.24Å
80G94.1Very high88.4Confident1 Ų122.4 Ų22.41%0.0112%0.116CC..SBendtrans-84.4-15.717600000113.1L9 P34L9-G80 PolarHBondContact N-O 3.43Å; P34-G80 PolarHBondContact O-N 2.92Å
81S95.2Very high88.2Confident1 Ų116.6 Ų16.61%0.0079%0.094CC..EExtended strand (participates in β ladder)trans-153162.9177.457.50000111V10 C35 Y36V10-S81 WeakPolarHBondContact O-CA 3.42Å; V10-S81 WeakPolarHBondContact O-CB 3.44Å; C35-S81 WeakPolarHBondContact CA-O 3.27Å; C35-S81 VanDerWaalsContact CB-OG 3.26Å; C35-S81 WeakPolarHBondContact CB-OG 3.48Å; C35-S81 PolarHBondContact SG-OG 3.25Å; Y36-S81 PolarHBondContact N-O 3.14Å
82V95Very high88.1Confident0 Ų020.7 Ų20.70%011%0.11CC..EExtended strand (participates in β ladder)trans-137.9131.8-179.462.60000110.5V8 V10 I11 V12 L76 N84 M94V8-V82 HydrophobicContact CG1-CG1 3.96Å; V10-V82 PolarHBondContact O-N 3.44Å; I11-V82 HydrophobicContact CB-CG1 4.35Å; I11-V82 HydrophobicContact CG1-CG1 4.12Å; I11-V82 HydrophobicContact CG2-CG1 4.3Å; V12-V82 PolarHBondContact N-O 2.87Å; L76-V82 HydrophobicContact CD2-CB 4.08Å; L76-V82 HydrophobicContact CD2-CG2 3.71Å; V82-N84 VanDerWaalsContact CG1-ND2 3.35Å; V82-N84 WeakPolarHBondContact CG1-ND2 3.31Å; V82-N84 HydrophobicContact CG2-CB 4.33Å; V82-N84 WeakPolarHBondContact CG2-ND2 3.1Å; V82-N84 WeakPolarHBondContact CG2-OD1 3.23Å; V82-M94 HydrophobicContact CG1-SD 4.35Å
83V91.7Very high88.1Confident0 Ų022.9 Ų22.90%012%0.12CC..EExtended strand (participates in β ladder)trans-111.295.9171.7-178.80000108.5V12 T20 M23 K24 L27 C35 Y36 T85V12-V83 HydrophobicContact CB-CB 4.17Å; V12-V83 HydrophobicContact CB-CG1 4.11Å; V12-V83 HydrophobicContact CB-CG2 3.8Å; V12-V83 HydrophobicContact CG1-CG1 4.14Å; V12-V83 HydrophobicContact CG1-CG2 4.41Å; V12-V83 HydrophobicContact CG2-CG2 3.75Å; T20-V83 VanDerWaalsContact CB-CG1 3.41Å; T20-V83 HydrophobicContact CG2-CG1 3.82Å; M23-V83 HydrophobicContact CB-CG2 4.19Å; K24-V83 HydrophobicContact CB-CG2 4.41Å; L27-V83 HydrophobicContact CD1-CG2 4.32Å; C35-V83 VanDerWaalsContact SG-CG2 3.51Å; Y36-V83 PolarHBondContact O-N 2.81Å; V83-T85 PolarHBondContact O-N 3.26Å
84N69Low88.1Confident0 Ų021.4 Ų21.40%011%0.11CC..  trans-95.975.5-165.1-84.4-41.1000112.5V12 V82 H86 A87 C88 M94V12-N84 PolarHBondContact O-N 3.43Å; V82-N84 VanDerWaalsContact CG1-ND2 3.35Å; V82-N84 WeakPolarHBondContact CG1-ND2 3.31Å; V82-N84 HydrophobicContact CG2-CB 4.33Å; V82-N84 WeakPolarHBondContact CG2-ND2 3.1Å; V82-N84 WeakPolarHBondContact CG2-OD1 3.23Å; N84-H86 PolarHBondContact O-N 2.88Å; N84-A87 HydrophobicContact CB-CB 3.9Å; N84-A87 PolarHBondContact O-N 3.12Å; N84-C88 WeakPolarHBondContact O-CA 3.45Å; N84-C88 VanDerWaalsContact O-CB 3.3Å; N84-C88 WeakPolarHBondContact O-CB 3.49Å; N84-C88 PolarHBondContact O-N 2.87Å; N84-M94 WeakPolarHBondContact ND2-CE 3.49Å; N84-M94 PolarHBondContact ND2-SD 3.46Å
85T65.3Low88Confident12 Ų1217.4 Ų17.47%0.0749%0.091CC..THydrogen-bonded Turntrans-61.4-35.4171.245.40000112.6P16 T20 V83P16-T85 HydrophobicContact CB-CG2 4.24Å; P16-T85 HydrophobicContact CG-CG2 4.18Å; T20-T85 HydrophobicContact CG2-CG2 3.66Å; V83-T85 PolarHBondContact O-N 3.26Å
86H71.2Confident88Confident2 Ų221.4 Ų21.41%0.00912%0.116CC..THydrogen-bonded Turntrans-101.61.7-178.858.8-72.9000113.7W52 N84 W89 L150 S153W52-H86 AromaticContact CD1-CD2 3.98Å; W52-H86 AromaticContact CD1-NE2 3.6Å; W52-H86 AromaticContact CD2-CD2 3.57Å; W52-H86 AromaticContact CD2-NE2 3.41Å; W52-H86 AromaticContact CE2-CD2 3.75Å; W52-H86 AromaticContact CE2-NE2 3.05Å; W52-H86 AromaticContact CG-CD2 3.73Å; W52-H86 AromaticContact CG-NE2 3.73Å; W52-H86 AromaticContact CZ2-NE2 3.45Å; W52-H86 WeakPolarHBondContact CZ2-NE2 3.31Å; W52-H86 AromaticContact NE1-CD2 3.99Å; W52-H86 AromaticContact NE1-NE2 3.19Å; W52-H86 PolarHBondContact NE1-NE2 2.91Å; W52-H86 VanDerWaalsContact NE1-NE2 3.19Å; N84-H86 PolarHBondContact O-N 2.88Å; H86-W89 PolarHBondContact O-NE1 2.8Å; H86-L150 HydrophobicContact CB-CD2 4.11Å; H86-S153 WeakPolarHBondContact O-CB 3.38Å; H86-S153 PolarHBondContact O-OG 3.06Å
87A70.9Confident88Confident0 Ų023.4 Ų23.40%013%0.126CC..THydrogen-bonded Turntrans-140.417.3-17800000112.9W52 N84 W89 L90 M94W52-A87 HydrophobicContact CE3-CB 3.91Å; W52-A87 HydrophobicContact CH2-CB 3.64Å; W52-A87 HydrophobicContact CZ3-CB 3.27Å; N84-A87 HydrophobicContact CB-CB 3.9Å; N84-A87 PolarHBondContact O-N 3.12Å; A87-W89 PolarHBondContact O-N 3.38Å; A87-W89 VanDerWaalsContact O-N 3.13Å; A87-L90 HydrophobicContact CB-CD1 4.13Å; A87-L90 WeakPolarHBondContact O-CB 3.29Å; A87-L90 PolarHBondContact O-N 3.34Å; A87-M94 HydrophobicContact CB-CE 4.09Å
88C84.9Confident88Confident2 Ų220 Ų201%0.01411%0.107CC..G310 helixtrans-56.4-29.617652.80000111.2A13 N84 L90 Y91 A157 F182A13-C88 HydrophobicContact CB-CB 4.23Å; A13-C88 VanDerWaalsContact O-CB 3.27Å; A13-C88 WeakPolarHBondContact O-CB 3.4Å; N84-C88 WeakPolarHBondContact O-CA 3.45Å; N84-C88 VanDerWaalsContact O-CB 3.3Å; N84-C88 WeakPolarHBondContact O-CB 3.49Å; N84-C88 PolarHBondContact O-N 2.87Å; C88-L90 PolarHBondContact O-N 3.19Å; C88-Y91 WeakPolarHBondContact O-CD1 3.12Å; C88-Y91 PolarHBondContact O-N 3.44Å; C88-A157 VanDerWaalsContact SG-CB 3.54Å; C88-F182 WeakPolarHBondContact O-CZ 3.39Å
89W88.4Confident88.1Confident24 Ų2422.2 Ų22.29%0.09112%0.115CC..G310 helixtrans-64.1-19.3174.153.5-91.8000115L55 V56 V59 H86 A87 Y91 S153 L156 A157L55-W89 HydrophobicContact CB-CH2 4.28Å; V56-W89 HydrophobicContact CG2-CH2 4.19Å; V56-W89 HydrophobicContact CG2-CZ2 3.66Å; V59-W89 HydrophobicContact CB-CE3 4.46Å; V59-W89 HydrophobicContact CB-CH2 4.27Å; V59-W89 HydrophobicContact CB-CZ3 3.57Å; V59-W89 HydrophobicContact CG1-CE3 4.07Å; V59-W89 HydrophobicContact CG1-CZ3 3.66Å; V59-W89 HydrophobicContact CG2-CE3 4.49Å; V59-W89 HydrophobicContact CG2-CH2 4.09Å; V59-W89 HydrophobicContact CG2-CZ3 3.45Å; V59-W89 VanDerWaalsContact CG2-CZ3 3.45Å; H86-W89 PolarHBondContact O-NE1 2.8Å; A87-W89 PolarHBondContact O-N 3.38Å; A87-W89 VanDerWaalsContact O-N 3.13Å; W89-Y91 VanDerWaalsContact C-N 3.28Å; W89-Y91 PolarHBondContact O-N 2.85Å; W89-S153 VanDerWaalsContact CD1-O 3.23Å; W89-L156 HydrophobicContact CB-CB 4.03Å; W89-L156 HydrophobicContact CD2-CB 3.77Å; W89-L156 HydrophobicContact CD2-CD1 3.78Å; W89-L156 HydrophobicContact CD2-CG 4.35Å; W89-L156 HydrophobicContact CE3-CB 4.25Å; W89-L156 HydrophobicContact CE3-CD1 3.83Å; W89-L156 HydrophobicContact CE3-CG 4.48Å; W89-L156 HydrophobicContact CG-CB 3.63Å; W89-L156 HydrophobicContact CH2-CD1 3.83Å; W89-L156 HydrophobicContact CZ2-CD1 3.76Å; W89-L156 HydrophobicContact CZ3-CD1 3.84Å; W89-A157 HydrophobicContact CB-CB 4.37Å
90L92.4Very high88.1Confident0 Ų029 Ų290%015%0.152CC..G310 helixtrans-86.515.2176.7-75.5168.6000113.9W52 L55 V59 I68 L72 A87 C88 K92 E93 M94W52-L90 HydrophobicContact CZ3-CD1 3.89Å; L55-L90 HydrophobicContact CB-CD1 4.4Å; L55-L90 HydrophobicContact CD1-CD1 4.17Å; V59-L90 HydrophobicContact CG2-CD2 3.72Å; I68-L90 HydrophobicContact CG2-CD2 4.08Å; L72-L90 HydrophobicContact CD2-CD1 3.99Å; A87-L90 HydrophobicContact CB-CD1 4.13Å; A87-L90 WeakPolarHBondContact O-CB 3.29Å; A87-L90 PolarHBondContact O-N 3.34Å; C88-L90 PolarHBondContact O-N 3.19Å; L90-K92 PolarHBondContact O-N 3.27Å; L90-E93 WeakPolarHBondContact CA-OE2 3.3Å; L90-E93 HydrophobicContact CD2-CB 4.27Å; L90-E93 HydrophobicContact CD2-CG 4.22Å; L90-E93 PolarHBondContact O-N 2.88Å; L90-M94 HydrophobicContact CB-CE 3.83Å; L90-M94 HydrophobicContact CB-CG 4.35Å; L90-M94 HydrophobicContact CB-SD 4.48Å; L90-M94 HydrophobicContact CD1-CE 4.28Å; L90-M94 WeakPolarHBondContact O-CB 3.35Å; L90-M94 WeakPolarHBondContact O-CG 3.39Å; L90-M94 PolarHBondContact O-N 2.89Å
91Y90.6Very high88.1Confident14 Ų1429 Ų296%0.05515%0.152CC..Hα-helixtrans-58.9-34.9-174.370.1-84.7000112.9C88 W89 M95 F182 N185 I186C88-Y91 WeakPolarHBondContact O-CD1 3.12Å; C88-Y91 PolarHBondContact O-N 3.44Å; W89-Y91 VanDerWaalsContact C-N 3.28Å; W89-Y91 PolarHBondContact O-N 2.85Å; Y91-M95 HydrophobicContact CD2-SD 4.31Å; Y91-M95 VanDerWaalsContact O-CB 3.26Å; Y91-M95 WeakPolarHBondContact O-CB 3.19Å; Y91-M95 WeakPolarHBondContact O-CG 3.4Å; Y91-M95 PolarHBondContact O-N 2.78Å; Y91-F182 AromaticContact CD1-CE1 3.81Å; Y91-F182 HydrophobicContact CD1-CE1 3.81Å; Y91-F182 AromaticContact CD1-CE2 3.92Å; Y91-F182 HydrophobicContact CD1-CE2 3.92Å; Y91-F182 AromaticContact CD1-CZ 3.34Å; Y91-F182 HydrophobicContact CD1-CZ 3.34Å; Y91-F182 HydrophobicContact CD2-CE1 4.15Å; Y91-F182 HydrophobicContact CD2-CZ 4.48Å; Y91-F182 HydrophobicContact CE1-CE1 4.4Å; Y91-F182 AromaticContact CE1-CE2 3.95Å; Y91-F182 HydrophobicContact CE1-CE2 3.95Å; Y91-F182 AromaticContact CE1-CZ 3.85Å; Y91-F182 HydrophobicContact CE1-CZ 3.85Å; Y91-F182 AromaticContact CG-CE1 3.64Å; Y91-F182 HydrophobicContact CG-CE1 3.64Å; Y91-F182 AromaticContact CG-CZ 3.69Å; Y91-F182 HydrophobicContact CG-CZ 3.69Å; Y91-N185 HydrophobicContact CE2-CB 4.2Å; Y91-N185 WeakPolarHBondContact OH-CB 3.45Å; Y91-I186 HydrophobicContact CD2-CD1 3.59Å; Y91-I186 HydrophobicContact CD2-CG1 3.88Å; Y91-I186 HydrophobicContact CE2-CD1 3.97Å; Y91-I186 HydrophobicContact CE2-CG1 3.82Å; Y91-I186 HydrophobicContact CG-CD1 4.39Å
92K91.8Very high88.1Confident104 Ų10431 Ų3145%0.45216%0.16SC..Hα-helixtrans-67.1-51.2179.5-67.4-173.7175.1179.40110.8L90 M94 M95 T96 N185L90-K92 PolarHBondContact O-N 3.27Å; K92-M94 VanDerWaalsContact C-N 3.34Å; K92-M94 PolarHBondContact O-N 3.18Å; K92-M95 PolarHBondContact O-N 2.9Å; K92-T96 PolarHBondContact O-N 3.29Å; K92-T96 PolarHBondContact O-OG1 2.96Å; K92-N185 PolarHBondContact NZ-OD1 3.02Å
93E93.4Very high88.2Confident47 Ų4731 Ų3122%0.2216%0.16CC..Hα-helixtrans-62.6-42178.9-62.884.2172.900110.9I68 H69 L72 L90 M95 T96 L97I68-E93 HydrophobicContact CG2-CB 3.99Å; I68-E93 HydrophobicContact CG2-CG 4Å; H69-E93 PolarHBondContact NE2-O 2.76Å; L72-E93 HydrophobicContact CD1-CB 4.28Å; L90-E93 WeakPolarHBondContact CA-OE2 3.3Å; L90-E93 HydrophobicContact CD2-CB 4.27Å; L90-E93 HydrophobicContact CD2-CG 4.22Å; L90-E93 PolarHBondContact O-N 2.88Å; E93-M95 PolarHBondContact O-N 2.73Å; E93-T96 PolarHBondContact O-N 3.29Å; E93-L97 WeakPolarHBondContact O-CB 3.44Å; E93-L97 PolarHBondContact O-N 2.97Å
94M93.2Very high88.5Confident1 Ų131 Ų311%0.00516%0.16CC..Hα-helixtrans-66.1-37174.7-69.8-179.8-173.100112.7I11 W52 L72 L76 V82 N84 A87 L90 K92 T96 L97 Y98I11-M94 HydrophobicContact CD1-CB 3.63Å; I11-M94 HydrophobicContact CG1-CB 4.38Å; I11-M94 HydrophobicContact CG2-SD 4.17Å; W52-M94 HydrophobicContact CH2-CE 4.05Å; W52-M94 HydrophobicContact CZ3-CE 4.33Å; L72-M94 HydrophobicContact CD1-CG 3.96Å; L72-M94 HydrophobicContact CD2-CE 3.4Å; L72-M94 VanDerWaalsContact CD2-CE 3.4Å; L72-M94 HydrophobicContact CD2-CG 4.31Å; L76-M94 HydrophobicContact CD1-CE 4.41Å; V82-M94 HydrophobicContact CG1-SD 4.35Å; N84-M94 WeakPolarHBondContact ND2-CE 3.49Å; N84-M94 PolarHBondContact ND2-SD 3.46Å; A87-M94 HydrophobicContact CB-CE 4.09Å; L90-M94 HydrophobicContact CB-CE 3.83Å; L90-M94 HydrophobicContact CB-CG 4.35Å; L90-M94 HydrophobicContact CB-SD 4.48Å; L90-M94 HydrophobicContact CD1-CE 4.28Å; L90-M94 WeakPolarHBondContact O-CB 3.35Å; L90-M94 WeakPolarHBondContact O-CG 3.39Å; L90-M94 PolarHBondContact O-N 2.89Å; K92-M94 VanDerWaalsContact C-N 3.34Å; K92-M94 PolarHBondContact O-N 3.18Å; M94-T96 VanDerWaalsContact C-N 3.33Å; M94-L97 PolarHBondContact O-N 3.07Å; M94-Y98 HydrophobicContact CB-CD2 4.44Å; M94-Y98 WeakPolarHBondContact O-CA 2.97Å; M94-Y98 WeakPolarHBondContact O-CB 3.3Å; M94-Y98 VanDerWaalsContact O-CD2 3.3Å; M94-Y98 WeakPolarHBondContact O-CD2 3.38Å; M94-Y98 PolarHBondContact O-N 3.36Å
95M93.2Very high89.8Confident24 Ų2431 Ų3112%0.11816%0.16CC..Hα-helixtrans-69.3-31.6176.3-78.6175.769.400112.7I11 Y91 K92 E93 Y98 P99 V103 I186I11-M95 HydrophobicContact CD1-CG 4.3Å; Y91-M95 HydrophobicContact CD2-SD 4.31Å; Y91-M95 VanDerWaalsContact O-CB 3.26Å; Y91-M95 WeakPolarHBondContact O-CB 3.19Å; Y91-M95 WeakPolarHBondContact O-CG 3.4Å; Y91-M95 PolarHBondContact O-N 2.78Å; K92-M95 PolarHBondContact O-N 2.9Å; E93-M95 PolarHBondContact O-N 2.73Å; M95-Y98 CarbonylContact O-C 3.37Å; M95-P99 WeakPolarHBondContact O-CA 3.48Å; M95-V103 HydrophobicContact CG-CG2 3.86Å; M95-V103 HydrophobicContact SD-CG2 3.72Å; M95-I186 HydrophobicContact CE-CG2 3.87Å; M95-I186 HydrophobicContact SD-CD1 4.05Å; M95-I186 HydrophobicContact SD-CG1 4.12Å; M95-I186 HydrophobicContact SD-CG2 4.1Å
96T94.1Very high91.3Very high84 Ų8430.5 Ų30.552%0.51516%0.158SC..Hα-helixtrans-70.1-46.5171.7-58.90000110.8K92 E93 M94 Y98K92-T96 PolarHBondContact O-N 3.29Å; K92-T96 PolarHBondContact O-OG1 2.96Å; E93-T96 PolarHBondContact O-N 3.29Å; M94-T96 VanDerWaalsContact C-N 3.33Å; T96-Y98 VanDerWaalsContact C-N 3.35Å; T96-Y98 PolarHBondContact O-N 3.33Å
97L93.4Very high92.5Very high43 Ų4331.4 Ų31.423%0.22516%0.163CC..Hα-helixtrans-66.2-36179.1-175.759000112.7H69 L72 E93 M94 P99H69-L97 HydrophobicContact CB-CD1 4Å; H69-L97 HydrophobicContact CB-CD2 4.37Å; L72-L97 HydrophobicContact CB-CD2 3.75Å; L72-L97 HydrophobicContact CD1-CD2 4.3Å; E93-L97 WeakPolarHBondContact O-CB 3.44Å; E93-L97 PolarHBondContact O-N 2.97Å; M94-L97 PolarHBondContact O-N 3.07Å; L97-P99 WeakPolarHBondContact O-CD 3.38Å
98Y93.7Very high93.7Very high21 Ų2136 Ų368%0.08218%0.18CC..SBendtrans-121.377.1179.7-51.7-70.2000110.1V8 L76 M94 M95 T96 N100 A101 R190V8-Y98 HydrophobicContact CB-CD1 3.9Å; V8-Y98 HydrophobicContact CB-CD2 3.82Å; V8-Y98 HydrophobicContact CB-CE1 4.02Å; V8-Y98 HydrophobicContact CB-CE2 3.94Å; V8-Y98 HydrophobicContact CB-CG 3.8Å; V8-Y98 HydrophobicContact CG1-CD2 4.38Å; V8-Y98 HydrophobicContact CG2-CD1 4.36Å; V8-Y98 HydrophobicContact CG2-CD2 4.21Å; V8-Y98 HydrophobicContact CG2-CE1 3.96Å; V8-Y98 HydrophobicContact CG2-CE2 3.79Å; V8-Y98 HydrophobicContact CG2-CG 4.48Å; L76-Y98 HydrophobicContact CD1-CE2 4.09Å; M94-Y98 HydrophobicContact CB-CD2 4.44Å; M94-Y98 WeakPolarHBondContact O-CA 2.97Å; M94-Y98 WeakPolarHBondContact O-CB 3.3Å; M94-Y98 VanDerWaalsContact O-CD2 3.3Å; M94-Y98 WeakPolarHBondContact O-CD2 3.38Å; M94-Y98 PolarHBondContact O-N 3.36Å; M95-Y98 CarbonylContact O-C 3.37Å; T96-Y98 VanDerWaalsContact C-N 3.35Å; T96-Y98 PolarHBondContact O-N 3.33Å; Y98-N100 PolarHBondContact O-N 2.9Å; Y98-N100 VanDerWaalsContact O-N 3.13Å; Y98-A101 VanDerWaalsContact O-CB 3.29Å; Y98-A101 WeakPolarHBondContact O-CB 3.43Å; Y98-A101 PolarHBondContact O-N 3.1Å; Y98-R190 PolarHBondContact O-NH2 2.95Å
99P94.5Very high94.3Very high79 Ų7939.6 Ų39.651%0.51320%0.2SC..THydrogen-bonded Turntrans-63-25.6-17223.7-34.6000113.8M95 L97 R190M95-P99 WeakPolarHBondContact O-CA 3.48Å; L97-P99 WeakPolarHBondContact O-CD 3.38Å; P99-R190 PolarHBondContact O-NH1 3.4Å; P99-R190 PolarHBondContact O-NH2 3.15Å
100N93.8Very high94.8Very high149 Ų14941.6 Ų41.680%0.79721%0.209SC*.THydrogen-bonded Turntrans-89.8-6.3178.1-62.5-31.9000113.3Y98Y98-N100 PolarHBondContact O-N 2.9Å; Y98-N100 VanDerWaalsContact O-N 3.13Å
101A94.8Very high95Very high1 Ų145.6 Ų45.61%0.00823%0.23CC..  trans-68.2137.3-179.300000110.9V8 L9 I11 Y98 R190V8-A101 WeakPolarHBondContact O-CB 3.34Å; L9-A101 CarbonylContact O-C 3.56Å; L9-A101 VanDerWaalsContact O-CA 3.26Å; L9-A101 WeakPolarHBondContact O-CA 3.24Å; I11-A101 HydrophobicContact CD1-CB 3.76Å; I11-A101 HydrophobicContact CG1-CB 4.09Å; Y98-A101 VanDerWaalsContact O-CB 3.29Å; Y98-A101 WeakPolarHBondContact O-CB 3.43Å; Y98-A101 PolarHBondContact O-N 3.1Å; A101-R190 PolarHBondContact O-NE 3.4Å; A101-R190 PolarHBondContact O-NH2 3.31Å
102K95.8Very high95.3Very high43 Ų4349 Ų4919%0.18725%0.249CC..EExtended strand (participates in β ladder)trans-91148.2169.4-71.3-177.9176.7171.90110.1L9 V10 I11 F206 L207 N208L9-K102 PolarHBondContact O-N 3.01Å; V10-K102 WeakPolarHBondContact CA-O 3.34Å; I11-K102 PolarHBondContact N-O 2.82Å; K102-F206 HydrophobicContact CB-CE1 3.62Å; K102-F206 HydrophobicContact CB-CZ 3.81Å; K102-F206 HydrophobicContact CD-CD1 4.32Å; K102-F206 HydrophobicContact CD-CE1 3.99Å; K102-F206 HydrophobicContact CD-CE2 4.39Å; K102-F206 HydrophobicContact CD-CZ 4.01Å; K102-F206 WeakPolarHBondContact CD-O 3.29Å; K102-F206 WeakPolarHBondContact CE-O 3.42Å; K102-F206 HydrophobicContact CG-CE1 4.26Å; K102-F206 HydrophobicContact CG-CZ 4.14Å; K102-F206 PolarHBondContact NZ-O 3.4Å; K102-L207 HydrophobicContact CB-CD2 4.17Å; K102-L207 HydrophobicContact CD-CD2 4.15Å; K102-N208 PolarHBondContact NZ-ND2 2.94Å
103V96.4Very high95.6Very high0 Ų044 Ų440%023%0.228CC..EExtended strand (participates in β ladder)trans-105128.7179.3-176.30000109.9I11 A13 M95 F182 I186 R190 L191 L192I11-V103 HydrophobicContact CB-CG2 4.4Å; I11-V103 CarbonylContact O-C 3.58Å; I11-V103 VanDerWaalsContact O-CA 3.31Å; I11-V103 WeakPolarHBondContact O-CA 3.26Å; A13-V103 HydrophobicContact CB-CG1 4.2Å; M95-V103 HydrophobicContact CG-CG2 3.86Å; M95-V103 HydrophobicContact SD-CG2 3.72Å; V103-F182 HydrophobicContact CG1-CD1 4.49Å; V103-I186 HydrophobicContact CB-CD1 4.24Å; V103-I186 HydrophobicContact CG1-CD1 3.85Å; V103-I186 HydrophobicContact CG2-CD1 4.26Å; V103-R190 PolarHBondContact N-O 3.46Å; V103-L191 HydrophobicContact CB-CD1 4.21Å; V103-L191 HydrophobicContact CG1-CD1 3.92Å; V103-L191 WeakPolarHBondContact O-CA 3.4Å; V103-L192 PolarHBondContact O-N 2.97Å
104V96.9Very high95.8Very high0 Ų042.6 Ų42.60%022%0.222CC..EExtended strand (participates in β ladder)trans-113.9119.4172-178.70000108.5V10 I11 V12 A13 M23 L192 Y194 L203 F206V10-V104 HydrophobicContact CG1-CG2 3.93Å; I11-V104 PolarHBondContact O-N 3.28Å; V12-V104 CarbonylContact C-O 3.52Å; V12-V104 VanDerWaalsContact CA-O 3.23Å; V12-V104 WeakPolarHBondContact CA-O 3.34Å; V12-V104 HydrophobicContact CG2-CB 4.28Å; A13-V104 PolarHBondContact N-O 3.28Å; M23-V104 HydrophobicContact CE-CG1 4.22Å; V104-L192 CarbonylContact C-O 3.58Å; V104-L192 WeakPolarHBondContact CA-O 3.33Å; V104-L192 HydrophobicContact CG1-CD2 4.46Å; V104-L192 HydrophobicContact CG2-CB 4.45Å; V104-Y194 HydrophobicContact CG1-CD1 4.23Å; V104-Y194 HydrophobicContact CG1-CG 4.21Å; V104-L203 HydrophobicContact CG2-CD1 4.18Å; V104-F206 HydrophobicContact CG2-CD1 4.27Å; V104-F206 HydrophobicContact CG2-CE1 4.03Å
105L96.8Very high96Very high1 Ų146.1 Ų46.11%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-99.4101.9173.5179.270.5000108.8V107 I179 F182 L191 L192 V193 Y194L105-V107 HydrophobicContact CD2-CG1 4.12Å; L105-V107 HydrophobicContact CG-CG1 3.96Å; L105-I179 HydrophobicContact CD2-CB 4.33Å; L105-I179 HydrophobicContact CD2-CG1 4.35Å; L105-I179 HydrophobicContact CD2-CG2 4Å; L105-F182 HydrophobicContact CD1-CB 4.46Å; L105-F182 HydrophobicContact CD1-CD1 4.19Å; L105-F182 HydrophobicContact CD1-CD2 4.45Å; L105-F182 HydrophobicContact CD1-CG 4.09Å; L105-F182 HydrophobicContact CD2-CB 3.78Å; L105-F182 HydrophobicContact CD2-CG 4.31Å; L105-L191 HydrophobicContact CB-CD1 3.97Å; L105-L192 PolarHBondContact N-O 3.43Å; L105-V193 HydrophobicContact CD2-CG2 4.3Å; L105-Y194 PolarHBondContact O-N 3.17Å
106T96.9Very high96.1Very high2 Ų245.8 Ų45.81%0.01224%0.243CC..EExtended strand (participates in β ladder)trans-74.3127.1174.739.60000111.5V12 G14 T18 M23 Y194 V196V12-T106 HydrophobicContact CG1-CG2 4.12Å; G14-T106 WeakPolarHBondContact CA-OG1 3.43Å; T18-T106 VanDerWaalsContact CB-O 3.24Å; T18-T106 WeakPolarHBondContact CB-O 3.5Å; T18-T106 WeakPolarHBondContact CG2-O 3.25Å; T18-T106 WeakPolarHBondContact O-CB 3.37Å; T18-T106 WeakPolarHBondContact OG1-CB 3.44Å; T18-T106 PolarHBondContact OG1-O 3.33Å; T18-T106 PolarHBondContact OG1-OG1 3.02Å; M23-T106 HydrophobicContact CG-CG2 3.46Å; M23-T106 VanDerWaalsContact CG-CG2 3.46Å; M23-T106 HydrophobicContact SD-CG2 4.12Å; T106-Y194 CarbonylContact C-O 3.5Å; T106-Y194 VanDerWaalsContact CA-O 3.27Å; T106-Y194 WeakPolarHBondContact CA-O 3.41Å; T106-Y194 HydrophobicContact CG2-CD1 4Å; T106-V196 HydrophobicContact CG2-CG2 3.78Å
107V96.7Very high96.2Very high21 Ų2141.8 Ų41.813%0.12722%0.219CC..EExtended strand (participates in β ladder)trans-129.9164.1-178.7-58.60000111.3L105 I179 V193 Y194 Q195L105-V107 HydrophobicContact CD2-CG1 4.12Å; L105-V107 HydrophobicContact CG-CG1 3.96Å; V107-I179 HydrophobicContact CB-CD1 4.15Å; V107-I179 HydrophobicContact CG1-CD1 3.63Å; V107-I179 HydrophobicContact CG1-CG1 3.78Å; V107-I179 HydrophobicContact CG1-CG2 4.31Å; V107-V193 HydrophobicContact CG1-CG1 3.93Å; V107-V193 HydrophobicContact CG2-CG1 3.72Å; V107-Y194 PolarHBondContact N-O 3.47Å; V107-Q195 HydrophobicContact CG2-CG 3.94Å
108R96.2Very high96.3Very high96 Ų9641 Ų4136%0.36221%0.213SC..  trans-157.5176.9171.364.4-178.7-60.61549.3109.1R17 K110 D112 W113 Y175R17-R108 VanDerWaalsContact O-CD 3.28Å; R17-R108 WeakPolarHBondContact O-CD 3.48Å; R17-R108 PolarHBondContact O-NH1 3.33Å; R108-K110 PolarHBondContact O-N 2.88Å; R108-D112 IonicContact NH2-OD2 3.08Å; R108-W113 HydrophobicContact CG-CB 3.76Å; R108-Y175 PolarHBondContact N-OH 3.35Å; R108-Y175 VanDerWaalsContact N-OH 3.07Å; R108-Y175 PolarHBondContact O-OH 3.28Å
109D97.6Very high96.3Very high78 Ų7844.1 Ų44.142%0.41723%0.228SC..  trans-52.5135.4170.8175.7-93.3000111N111 D112 W113D109-N111 VanDerWaalsContact C-N 3.34Å; D109-N111 PolarHBondContact O-N 3.04Å; D109-N111 WeakPolarHBondContact OD1-CA 3.5Å; D109-N111 WeakPolarHBondContact OD1-CB 3.33Å; D109-N111 PolarHBondContact OD1-N 3.04Å; D109-D112 HydrophobicContact CB-CB 4.06Å; D109-D112 PolarHBondContact O-N 2.8Å; D109-D112 PolarHBondContact OD1-N 3.11Å; D109-W113 WeakPolarHBondContact O-CB 3.34Å; D109-W113 PolarHBondContact O-N 2.77Å
110K97.7Very high96.1Very high66 Ų6641.9 Ų41.929%0.28721%0.213SC..Hα-helixtrans-67.4-33.7-172.568.2-178.6-174.2-178.30113R108 W113 L114 L172 Y175 E176R108-K110 PolarHBondContact O-N 2.88Å; K110-W113 PolarHBondContact O-N 3.17Å; K110-L114 WeakPolarHBondContact O-CB 3.39Å; K110-L114 PolarHBondContact O-N 3.04Å; K110-L172 HydrophobicContact CB-CD2 3.82Å; K110-L172 HydrophobicContact CD-CD2 4.25Å; K110-L172 HydrophobicContact CG-CD2 3.9Å; K110-L172 WeakPolarHBondContact O-CD2 3.23Å; K110-Y175 HydrophobicContact CB-CD1 3.84Å; K110-Y175 HydrophobicContact CB-CE1 4.08Å; K110-E176 VanDerWaalsContact CD-CD 3.47Å; K110-E176 HydrophobicContact CD-CG 3.96Å; K110-E176 VanDerWaalsContact CD-OE1 3.25Å; K110-E176 WeakPolarHBondContact CD-OE1 3.41Å; K110-E176 WeakPolarHBondContact CE-OE1 3Å; K110-E176 IonicContact NZ-OE1 3.76Å; K110-E176 PolarHBondContact NZ-OE1 2.68Å; K110-E176 IonicContact NZ-OE2 3.89Å; K110-E176 PolarHBondContact NZ-OE2 3Å
111N98.2Very high96Very high83 Ų8336.4 Ų36.444%0.44418%0.182SC..Hα-helixtrans-75.5-39.2179.5-56.2-65.3000110.4D109 W113 L114 T115D109-N111 VanDerWaalsContact C-N 3.34Å; D109-N111 PolarHBondContact O-N 3.04Å; D109-N111 WeakPolarHBondContact OD1-CA 3.5Å; D109-N111 WeakPolarHBondContact OD1-CB 3.33Å; D109-N111 PolarHBondContact OD1-N 3.04Å; N111-W113 VanDerWaalsContact C-N 3.34Å; N111-L114 PolarHBondContact O-N 3.13Å; N111-T115 WeakPolarHBondContact O-CB 3.4Å; N111-T115 PolarHBondContact O-N 3.14Å; N111-T115 PolarHBondContact O-OG1 3.39Å
112D97.1Very high96Very high86 Ų8637.9 Ų37.946%0.4619%0.189SC..Hα-helixtrans-62.1-42.4171-78.1-2.7000111.8R108 D109 S116R108-D112 IonicContact NH2-OD2 3.08Å; D109-D112 HydrophobicContact CB-CB 4.06Å; D109-D112 PolarHBondContact O-N 2.8Å; D109-D112 PolarHBondContact OD1-N 3.11Å; D112-S116 PolarHBondContact O-N 3.47Å
113W97.1Very high96Very high0 Ų036.5 Ų36.50%019%0.185CC..Hα-helixtrans-59.2-53174.4168.576000110.7L15 P16 R108 D109 K110 N111 T115 S116 F117 F158 L171 L172 Y175L15-W113 HydrophobicContact CD1-CZ2 4.38Å; P16-W113 PolarHBondContact O-NE1 3.14Å; R108-W113 HydrophobicContact CG-CB 3.76Å; D109-W113 WeakPolarHBondContact O-CB 3.34Å; D109-W113 PolarHBondContact O-N 2.77Å; K110-W113 PolarHBondContact O-N 3.17Å; N111-W113 VanDerWaalsContact C-N 3.34Å; W113-T115 VanDerWaalsContact C-N 3.33Å; W113-T115 PolarHBondContact O-N 3.23Å; W113-S116 PolarHBondContact O-N 3.4Å; W113-F117 HydrophobicContact CZ2-CB 4.48Å; W113-F117 AromaticContact CZ2-CD2 3.86Å; W113-F117 HydrophobicContact CZ2-CD2 3.86Å; W113-F117 HydrophobicContact CZ2-CE2 4.28Å; W113-F117 HydrophobicContact CZ2-CG 4.14Å; W113-F117 VanDerWaalsContact O-CB 3.23Å; W113-F117 WeakPolarHBondContact O-CB 3.38Å; W113-F117 PolarHBondContact O-N 3Å; W113-F158 HydrophobicContact CH2-CZ 4.15Å; W113-F158 HydrophobicContact CZ2-CZ 4.26Å; W113-L171 HydrophobicContact CH2-CB 4.31Å; W113-L171 HydrophobicContact CZ3-CB 4.33Å; W113-L172 HydrophobicContact CE3-CD2 4.48Å; W113-Y175 HydrophobicContact CB-CE2 4.23Å; W113-Y175 AromaticContact CD1-CE2 3.69Å; W113-Y175 AromaticContact CD2-CD2 3.34Å; W113-Y175 HydrophobicContact CD2-CD2 3.34Å; W113-Y175 AromaticContact CD2-CE2 3.63Å; W113-Y175 HydrophobicContact CD2-CE2 3.63Å; W113-Y175 AromaticContact CD2-CG 3.91Å; W113-Y175 HydrophobicContact CD2-CG 3.91Å; W113-Y175 AromaticContact CE2-CD2 3.45Å; W113-Y175 VanDerWaalsContact CE2-CD2 3.45Å; W113-Y175 AromaticContact CE2-CE2 3.82Å; W113-Y175 HydrophobicContact CE3-CD1 4.34Å; W113-Y175 AromaticContact CE3-CD2 3.61Å; W113-Y175 HydrophobicContact CE3-CD2 3.61Å; W113-Y175 HydrophobicContact CE3-CE2 4.27Å; W113-Y175 AromaticContact CE3-CG 3.68Å; W113-Y175 HydrophobicContact CE3-CG 3.68Å; W113-Y175 AromaticContact CG-CD2 3.84Å; W113-Y175 HydrophobicContact CG-CD2 3.84Å; W113-Y175 AromaticContact CG-CE2 3.57Å; W113-Y175 HydrophobicContact CG-CE2 3.57Å; W113-Y175 HydrophobicContact CH2-CD2 4.04Å; W113-Y175 HydrophobicContact CH2-CG 4.33Å; W113-Y175 AromaticContact CZ2-CD2 3.81Å; W113-Y175 HydrophobicContact CZ2-CD2 3.81Å; W113-Y175 AromaticContact CZ3-CD2 3.96Å; W113-Y175 HydrophobicContact CZ3-CD2 3.96Å; W113-Y175 AromaticContact CZ3-CG 3.91Å; W113-Y175 HydrophobicContact CZ3-CG 3.91Å; W113-Y175 AromaticContact NE1-CD2 3.92Å; W113-Y175 AromaticContact NE1-CE2 3.82Å
114L98.1Very high96Very high17 Ų1739.2 Ų39.29%0.08920%0.197CC..Hα-helixtrans-58.8-45.5-179.5177.468.1000111.1K110 N111 S116 F117 R118 D168 L171 L172K110-L114 WeakPolarHBondContact O-CB 3.39Å; K110-L114 PolarHBondContact O-N 3.04Å; N111-L114 PolarHBondContact O-N 3.13Å; L114-S116 PolarHBondContact O-N 2.91Å; L114-F117 WeakPolarHBondContact O-CB 3.33Å; L114-F117 PolarHBondContact O-N 3.25Å; L114-R118 HydrophobicContact CD1-CG 4.21Å; L114-R118 HydrophobicContact CG-CG 4.44Å; L114-R118 WeakPolarHBondContact O-CG 3.4Å; L114-R118 PolarHBondContact O-N 2.96Å; L114-D168 HydrophobicContact CD2-CB 3.69Å; L114-L171 HydrophobicContact CD1-CB 4.16Å; L114-L171 HydrophobicContact CD1-CD1 3.98Å; L114-L172 HydrophobicContact CB-CD2 3.82Å; L114-L172 HydrophobicContact CB-CG 4.49Å; L114-L172 HydrophobicContact CD2-CD1 3.9Å; L114-L172 HydrophobicContact CD2-CD2 4.07Å; L114-L172 HydrophobicContact CD2-CG 3.9Å; L114-L172 HydrophobicContact CG-CD2 4.47Å
115T97.1Very high95.9Very high75 Ų7543.2 Ų43.246%0.4622%0.224SC..Hα-helixtrans-56.1-51.5176.8-59.10000110.6N111 W113 F117 R118 E119N111-T115 WeakPolarHBondContact O-CB 3.4Å; N111-T115 PolarHBondContact O-N 3.14Å; N111-T115 PolarHBondContact O-OG1 3.39Å; W113-T115 VanDerWaalsContact C-N 3.33Å; W113-T115 PolarHBondContact O-N 3.23Å; T115-F117 VanDerWaalsContact C-N 3.33Å; T115-F117 PolarHBondContact O-N 3.04Å; T115-R118 PolarHBondContact O-N 2.83Å; T115-E119 WeakPolarHBondContact O-CB 3.33Å; T115-E119 WeakPolarHBondContact O-CG 3.23Å; T115-E119 PolarHBondContact O-N 2.96Å
116S95.2Very high95.8Very high17 Ų1749.2 Ų49.212%0.11926%0.256CS..Hα-helixtrans-66.4-34.5178.5-167.30000113.1R17 D112 W113 L114 E119 V120R17-S116 PolarHBondContact NE-OG 2.85Å; R17-S116 VanDerWaalsContact NE-OG 3.14Å; R17-S116 PolarHBondContact NH2-OG 3.42Å; D112-S116 PolarHBondContact O-N 3.47Å; W113-S116 PolarHBondContact O-N 3.4Å; L114-S116 PolarHBondContact O-N 2.91Å; S116-E119 PolarHBondContact O-N 3.35Å; S116-V120 PolarHBondContact O-N 3.4Å
117F95.5Very high95.7Very high0 Ų051.2 Ų51.20%027%0.267CS..Iπ-helixtrans-61.7-48.3176.1-174-92.5000110.7R17 W113 L114 T115 F121 M122 L154 L171R17-F117 HydrophobicContact CG-CB 4.38Å; R17-F117 HydrophobicContact CG-CD2 4.48Å; W113-F117 HydrophobicContact CZ2-CB 4.48Å; W113-F117 AromaticContact CZ2-CD2 3.86Å; W113-F117 HydrophobicContact CZ2-CD2 3.86Å; W113-F117 HydrophobicContact CZ2-CE2 4.28Å; W113-F117 HydrophobicContact CZ2-CG 4.14Å; W113-F117 VanDerWaalsContact O-CB 3.23Å; W113-F117 WeakPolarHBondContact O-CB 3.38Å; W113-F117 PolarHBondContact O-N 3Å; L114-F117 WeakPolarHBondContact O-CB 3.33Å; L114-F117 PolarHBondContact O-N 3.25Å; T115-F117 VanDerWaalsContact C-N 3.33Å; T115-F117 PolarHBondContact O-N 3.04Å; F117-F121 HydrophobicContact CD2-CB 4.09Å; F117-F121 AromaticContact CD2-CD1 3.97Å; F117-F121 HydrophobicContact CD2-CD1 3.97Å; F117-F121 HydrophobicContact CD2-CG 4.25Å; F117-F121 HydrophobicContact CE2-CB 4.29Å; F117-F121 AromaticContact CE2-CD1 3.31Å; F117-F121 HydrophobicContact CE2-CD1 3.31Å; F117-F121 AromaticContact CE2-CE1 3.89Å; F117-F121 HydrophobicContact CE2-CE1 3.89Å; F117-F121 HydrophobicContact CE2-CG 4.02Å; F117-F121 HydrophobicContact CG-CB 4.49Å; F117-F121 AromaticContact CZ-CD1 3.64Å; F117-F121 HydrophobicContact CZ-CD1 3.64Å; F117-F121 HydrophobicContact CZ-CE1 4.15Å; F117-F121 WeakPolarHBondContact O-CA 3.49Å; F117-F121 WeakPolarHBondContact O-CB 3.36Å; F117-F121 PolarHBondContact O-N 3.38Å; F117-M122 HydrophobicContact CD1-CB 4.3Å; F117-M122 HydrophobicContact CE1-CB 3.62Å; F117-M122 HydrophobicContact CE1-CG 4.34Å; F117-M122 HydrophobicContact CE1-SD 4.25Å; F117-M122 HydrophobicContact CZ-CB 3.87Å; F117-M122 HydrophobicContact CZ-SD 4.26Å; F117-M122 PolarHBondContact O-N 3.44Å; F117-L154 HydrophobicContact CE2-CD1 4.07Å; F117-L154 HydrophobicContact CZ-CD1 3.71Å; F117-L171 HydrophobicContact CD1-CD1 4.28Å; F117-L171 HydrophobicContact CE1-CD1 4.04Å
118R96.3Very high95.5Very high26 Ų2655.2 Ų55.210%0.09829%0.294CS..Iπ-helixtrans-64-40.1175.4-68.1-54.6-169.7-171.2-0.6113.3L114 T115 M122 P123 F165 D166 D168 L171L114-R118 HydrophobicContact CD1-CG 4.21Å; L114-R118 HydrophobicContact CG-CG 4.44Å; L114-R118 WeakPolarHBondContact O-CG 3.4Å; L114-R118 PolarHBondContact O-N 2.96Å; T115-R118 PolarHBondContact O-N 2.83Å; R118-M122 WeakPolarHBondContact CD-O 3.39Å; R118-M122 PolarHBondContact NH1-O 2.87Å; R118-P123 VanDerWaalsContact O-CA 3.24Å; R118-P123 WeakPolarHBondContact O-CA 3.44Å; R118-P123 WeakPolarHBondContact O-CB 3.42Å; R118-F165 PolarHBondContact NH1-O 3.21Å; R118-F165 PolarHBondContact NH2-O 2.99Å; R118-D166 PolarHBondContact NH2-O 3.44Å; R118-D168 IonicContact CZ-OD1 2.75Å; R118-D168 IonicContact NE-OD1 3.75Å; R118-D168 PolarHBondContact NE-OD1 3.47Å; R118-D168 IonicContact NH2-OD1 2.87Å; R118-D168 PolarHBondContact NH2-OD1 3.02Å; R118-L171 VanDerWaalsContact NH2-CD1 3.34Å
119E93.1Very high95.3Very high87 Ų8756.7 Ų56.741%0.40730%0.299SS..Iπ-helixtrans-73-33.7-176.2-75.7-174.2160.400114.1T115 S116 Q223T115-E119 WeakPolarHBondContact O-CB 3.33Å; T115-E119 WeakPolarHBondContact O-CG 3.23Å; T115-E119 PolarHBondContact O-N 2.96Å; S116-E119 PolarHBondContact O-N 3.35Å; E119-Q223 PolarHBondContact OE2-NE2 3.41Å
120V90.8Very high95.1Very high31 Ų3153.7 Ų53.719%0.18828%0.284CS..Iπ-helixtrans-121-36.3-167-177.40000113.5R17 S116 L226R17-V120 VanDerWaalsContact NH1-CG1 3.33Å; S116-V120 PolarHBondContact O-N 3.4Å; V120-L226 HydrophobicContact CB-CD1 4.2Å; V120-L226 HydrophobicContact CG1-CD1 3.53Å; V120-L226 HydrophobicContact CG1-CD2 4.22Å; V120-L226 HydrophobicContact CG2-CD1 3.53Å
121F92.3Very high94.9Very high35 Ų3557.6 Ų57.615%0.15430%0.301CS..Iπ-helixtrans-100-55.2-169.7-168-92.1000112.1P16 R17 F117 L150 L154P16-F121 HydrophobicContact CB-CD1 4.35Å; P16-F121 HydrophobicContact CB-CD2 3.56Å; P16-F121 HydrophobicContact CB-CE1 4.42Å; P16-F121 HydrophobicContact CB-CE2 3.61Å; P16-F121 HydrophobicContact CB-CG 3.94Å; P16-F121 HydrophobicContact CB-CZ 4.04Å; P16-F121 HydrophobicContact CG-CD1 4.39Å; P16-F121 HydrophobicContact CG-CD2 4.05Å; P16-F121 HydrophobicContact CG-CE1 4Å; P16-F121 HydrophobicContact CG-CE2 3.6Å; P16-F121 HydrophobicContact CG-CG 4.4Å; P16-F121 HydrophobicContact CG-CZ 3.55Å; R17-F121 HydrophobicContact CG-CB 4.14Å; F117-F121 HydrophobicContact CD2-CB 4.09Å; F117-F121 AromaticContact CD2-CD1 3.97Å; F117-F121 HydrophobicContact CD2-CD1 3.97Å; F117-F121 HydrophobicContact CD2-CG 4.25Å; F117-F121 HydrophobicContact CE2-CB 4.29Å; F117-F121 AromaticContact CE2-CD1 3.31Å; F117-F121 HydrophobicContact CE2-CD1 3.31Å; F117-F121 AromaticContact CE2-CE1 3.89Å; F117-F121 HydrophobicContact CE2-CE1 3.89Å; F117-F121 HydrophobicContact CE2-CG 4.02Å; F117-F121 HydrophobicContact CG-CB 4.49Å; F117-F121 AromaticContact CZ-CD1 3.64Å; F117-F121 HydrophobicContact CZ-CD1 3.64Å; F117-F121 HydrophobicContact CZ-CE1 4.15Å; F117-F121 WeakPolarHBondContact O-CA 3.49Å; F117-F121 WeakPolarHBondContact O-CB 3.36Å; F117-F121 PolarHBondContact O-N 3.38Å; F121-L150 HydrophobicContact CE1-CB 4.49Å; F121-L150 HydrophobicContact CE1-CD1 4.47Å; F121-L150 HydrophobicContact CE2-CD1 4.09Å; F121-L150 HydrophobicContact CE2-CD2 4.36Å; F121-L150 HydrophobicContact CZ-CB 4.12Å; F121-L150 HydrophobicContact CZ-CD1 3.77Å; F121-L150 HydrophobicContact CZ-CD2 3.91Å; F121-L150 HydrophobicContact CZ-CG 4.11Å; F121-L154 HydrophobicContact CE1-CD1 3.77Å
122M94Very high94.6Very high31 Ų3159.5 Ų59.515%0.15331%0.307CS..  trans-147.185.8-174.1-171.6176.2-72.800110.9F117 R118 L154 F165F117-M122 HydrophobicContact CD1-CB 4.3Å; F117-M122 HydrophobicContact CE1-CB 3.62Å; F117-M122 HydrophobicContact CE1-CG 4.34Å; F117-M122 HydrophobicContact CE1-SD 4.25Å; F117-M122 HydrophobicContact CZ-CB 3.87Å; F117-M122 HydrophobicContact CZ-SD 4.26Å; F117-M122 PolarHBondContact O-N 3.44Å; R118-M122 WeakPolarHBondContact CD-O 3.39Å; R118-M122 PolarHBondContact NH1-O 2.87Å; M122-L154 HydrophobicContact CE-CD1 4.01Å; M122-F165 HydrophobicContact CE-CD1 4.11Å; M122-F165 HydrophobicContact CE-CE1 4.09Å; M122-F165 HydrophobicContact SD-CB 3.79Å; M122-F165 HydrophobicContact SD-CD1 3.2Å; M122-F165 WeakPolarHBondContact SD-CD1 3.49Å; M122-F165 HydrophobicContact SD-CD2 4.43Å; M122-F165 HydrophobicContact SD-CE1 3.79Å; M122-F165 HydrophobicContact SD-CG 3.56Å; M122-F165 VanDerWaalsContact SD-CG 3.56Å
123P95.8Very high94.3Very high15 Ų1557.1 Ų57.110%0.09729%0.294CS..  trans-60.7157.2169.328.2-35.7000110.8R118 N127 T130 M133R118-P123 VanDerWaalsContact O-CA 3.24Å; R118-P123 WeakPolarHBondContact O-CA 3.44Å; R118-P123 WeakPolarHBondContact O-CB 3.42Å; P123-N127 HydrophobicContact CB-CB 4.25Å; P123-T130 WeakPolarHBondContact CB-OG1 3.41Å; P123-T130 VanDerWaalsContact CG-OG1 3.27Å; P123-T130 WeakPolarHBondContact CG-OG1 3.5Å; P123-M133 VanDerWaalsContact CD-CE 3.43Å; P123-M133 VanDerWaalsContact CD-SD 3.55Å; P123-M133 HydrophobicContact CG-CE 3.66Å; P123-M133 HydrophobicContact CG-SD 3.97Å
124K96.9Very high94.1Very high57 Ų5762.9 Ų62.925%0.24832%0.316CS..  trans-60.5149.4173.7-66.5-166.8179.7-164.70111.5D126 N127 T130 D166 D168K124-D126 WeakPolarHBondContact CB-OD1 3.49Å; K124-D126 PolarHBondContact O-N 2.91Å; K124-N127 HydrophobicContact CB-CB 4.42Å; K124-N127 VanDerWaalsContact O-CB 3.23Å; K124-N127 WeakPolarHBondContact O-CB 3.24Å; K124-N127 PolarHBondContact O-N 2.77Å; K124-T130 PolarHBondContact O-OG1 3.19Å; K124-D166 WeakPolarHBondContact CA-OD1 3.19Å; K124-D166 VanDerWaalsContact CE-O 3.26Å; K124-D166 WeakPolarHBondContact CE-O 3.01Å; K124-D166 PolarHBondContact NZ-O 3.47Å; K124-D166 VanDerWaalsContact NZ-O 3.15Å; K124-D168 WeakPolarHBondContact CE-OD1 3.43Å; K124-D168 WeakPolarHBondContact CE-OD2 3.45Å; K124-D168 VanDerWaalsContact NZ-CG 3.33Å; K124-D168 IonicContact NZ-OD1 3.74Å; K124-D168 IonicContact NZ-OD2 2.7Å; K124-D168 PolarHBondContact NZ-OD2 3.36Å
125S94.9Very high93.9Very high83 Ų8365.3 Ų65.358%0.5833%0.327SS*.THydrogen-bonded Turntrans-58.7-34.8-177.669.90000112.8N127 D166S125-N127 VanDerWaalsContact C-N 3.32Å; S125-D166 WeakPolarHBondContact CB-OD2 3.24Å; S125-D166 PolarHBondContact N-OD1 3.07Å; S125-D166 PolarHBondContact OG-OD2 3.41Å
126D94.7Very high93.6Very high127 Ų12763.4 Ų63.468%0.67932%0.319SS*.THydrogen-bonded Turntrans-80.1-8.8177.771.4-14.2000114.1K124 P128K124-D126 WeakPolarHBondContact CB-OD1 3.49Å; K124-D126 PolarHBondContact O-N 2.91Å; D126-P128 WeakPolarHBondContact O-CD 3.45Å
127N94.4Very high93.6Very high44 Ų4464.3 Ų64.324%0.23532%0.32CS..  trans-72.7126.1-178.2-162-62.4000110.4P123 K124 S125 R129 T130P123-N127 HydrophobicContact CB-CB 4.25Å; K124-N127 HydrophobicContact CB-CB 4.42Å; K124-N127 VanDerWaalsContact O-CB 3.23Å; K124-N127 WeakPolarHBondContact O-CB 3.24Å; K124-N127 PolarHBondContact O-N 2.77Å; S125-N127 VanDerWaalsContact C-N 3.32Å; N127-R129 PolarHBondContact O-N 3.07Å; N127-R129 VanDerWaalsContact OD1-CB 3.24Å; N127-R129 WeakPolarHBondContact OD1-CB 3.49Å; N127-R129 WeakPolarHBondContact OD1-CG 3.4Å; N127-R129 PolarHBondContact OD1-N 3.44Å; N127-R129 PolarHBondContact OD1-NE 2.93Å; N127-T130 WeakPolarHBondContact O-CB 3.43Å; N127-T130 PolarHBondContact O-N 3.48Å; N127-T130 PolarHBondContact O-OG1 2.84Å; N127-T130 VanDerWaalsContact O-OG1 3.09Å
128P92.8Very high93.5Very high106 Ų10672.6 Ų72.669%0.68835%0.352SS*.Hα-helixtrans-56.9-25.9177.8-27.435.6000114.3D126 T130D126-P128 WeakPolarHBondContact O-CD 3.45Å; P128-T130 PolarHBondContact O-N 3.34Å
129R91.9Very high93.3Very high126 Ų12678.1 Ų78.148%0.47537%0.373SS..Hα-helixtrans-67-21.5176.2-65.3-177-78-178-5112.9N127 K131 Q132 M133N127-R129 PolarHBondContact O-N 3.07Å; N127-R129 VanDerWaalsContact OD1-CB 3.24Å; N127-R129 WeakPolarHBondContact OD1-CB 3.49Å; N127-R129 WeakPolarHBondContact OD1-CG 3.4Å; N127-R129 PolarHBondContact OD1-N 3.44Å; N127-R129 PolarHBondContact OD1-NE 2.93Å; R129-K131 VanDerWaalsContact C-N 3.35Å; R129-K131 PolarHBondContact O-N 2.87Å; R129-Q132 WeakPolarHBondContact O-CB 3.49Å; R129-Q132 PolarHBondContact O-N 2.93Å; R129-Q132 VanDerWaalsContact O-N 3.14Å; R129-M133 WeakPolarHBondContact O-CB 3.5Å; R129-M133 PolarHBondContact O-N 3.37Å
130T93.5Very high93.3Very high16 Ų1674.3 Ų74.310%0.09836%0.356CS..Hα-helixtrans-59-46179.5-620000111.2P123 K124 N127 P128 Q132 M133 Y134P123-T130 WeakPolarHBondContact CB-OG1 3.41Å; P123-T130 VanDerWaalsContact CG-OG1 3.27Å; P123-T130 WeakPolarHBondContact CG-OG1 3.5Å; K124-T130 PolarHBondContact O-OG1 3.19Å; N127-T130 WeakPolarHBondContact O-CB 3.43Å; N127-T130 PolarHBondContact O-N 3.48Å; N127-T130 PolarHBondContact O-OG1 2.84Å; N127-T130 VanDerWaalsContact O-OG1 3.09Å; P128-T130 PolarHBondContact O-N 3.34Å; T130-Q132 PolarHBondContact O-N 3.19Å; T130-M133 WeakPolarHBondContact O-CB 3.27Å; T130-M133 PolarHBondContact O-N 3.13Å; T130-Y134 HydrophobicContact CG2-CD2 3.91Å; T130-Y134 HydrophobicContact CG2-CE2 3.44Å; T130-Y134 VanDerWaalsContact CG2-CE2 3.44Å; T130-Y134 WeakPolarHBondContact O-CD2 3.45Å; T130-Y134 PolarHBondContact O-N 3.23Å; T130-Y134 VanDerWaalsContact O-N 3.08Å
131K92.8Very high93.5Very high147 Ų14774.6 Ų74.664%0.63937%0.365SS*.Hα-helixtrans-60.8-44.2174.5-175.1177.1177.1-179.30112.1R129 M133 Y134 E135R129-K131 VanDerWaalsContact C-N 3.35Å; R129-K131 PolarHBondContact O-N 2.87Å; K131-M133 VanDerWaalsContact C-N 3.3Å; K131-M133 PolarHBondContact O-N 3.03Å; K131-Y134 PolarHBondContact O-N 3.37Å; K131-E135 WeakPolarHBondContact CE-OE1 3.46Å; K131-E135 WeakPolarHBondContact O-CG 3.48Å; K131-E135 PolarHBondContact O-N 3.42Å
132Q91.7Very high93.6Very high123 Ų12374.4 Ų74.458%0.57537%0.366SS*.Hα-helixtrans-63.3-37.8178.7-60.61770.100111.8R129 T130 A136R129-Q132 WeakPolarHBondContact O-CB 3.49Å; R129-Q132 PolarHBondContact O-N 2.93Å; R129-Q132 VanDerWaalsContact O-N 3.14Å; T130-Q132 PolarHBondContact O-N 3.19Å; Q132-A136 VanDerWaalsContact O-CB 3.31Å; Q132-A136 WeakPolarHBondContact O-CB 3.48Å; Q132-A136 PolarHBondContact O-N 3.25Å
133M92.4Very high93.6Very high37 Ų3774.2 Ų74.218%0.18237%0.366CS..Hα-helixtrans-64.4-47.5176.8-174.7-177.767.100111.3P123 R129 T130 K131 E135 A136 K137P123-M133 VanDerWaalsContact CD-CE 3.43Å; P123-M133 VanDerWaalsContact CD-SD 3.55Å; P123-M133 HydrophobicContact CG-CE 3.66Å; P123-M133 HydrophobicContact CG-SD 3.97Å; R129-M133 WeakPolarHBondContact O-CB 3.5Å; R129-M133 PolarHBondContact O-N 3.37Å; T130-M133 WeakPolarHBondContact O-CB 3.27Å; T130-M133 PolarHBondContact O-N 3.13Å; K131-M133 VanDerWaalsContact C-N 3.3Å; K131-M133 PolarHBondContact O-N 3.03Å; M133-E135 PolarHBondContact O-N 2.84Å; M133-A136 WeakPolarHBondContact O-CB 3.44Å; M133-A136 PolarHBondContact O-N 3.42Å; M133-K137 WeakPolarHBondContact O-CG 3.3Å; M133-K137 PolarHBondContact O-N 3.35Å
134Y92.8Very high93.5Very high121 Ų12178.4 Ų78.448%0.47539%0.392SS..Hα-helixtrans-63.6-40.7177-72.1-60.6000112.5T130 K131 A136 K137 R138 D147T130-Y134 HydrophobicContact CG2-CD2 3.91Å; T130-Y134 HydrophobicContact CG2-CE2 3.44Å; T130-Y134 VanDerWaalsContact CG2-CE2 3.44Å; T130-Y134 WeakPolarHBondContact O-CD2 3.45Å; T130-Y134 PolarHBondContact O-N 3.23Å; T130-Y134 VanDerWaalsContact O-N 3.08Å; K131-Y134 PolarHBondContact O-N 3.37Å; Y134-A136 VanDerWaalsContact C-N 3.32Å; Y134-A136 PolarHBondContact O-N 3.14Å; Y134-K137 PolarHBondContact O-N 2.88Å; Y134-R138 WeakPolarHBondContact O-CB 3.38Å; Y134-R138 PolarHBondContact O-N 3.37Å; Y134-D147 WeakPolarHBondContact CE1-OD2 3.33Å
135E92.6Very high93.4Very high67 Ų6781 Ų8131%0.31341%0.405SS..Hα-helixtrans-64.3-35.7173.9-72.6174.418000112.5K131 M133 R139K131-E135 WeakPolarHBondContact CE-OE1 3.46Å; K131-E135 WeakPolarHBondContact O-CG 3.48Å; K131-E135 PolarHBondContact O-N 3.42Å; M133-E135 PolarHBondContact O-N 2.84Å; E135-R139 WeakPolarHBondContact O-CB 3.09Å; E135-R139 WeakPolarHBondContact O-CG 3.35Å; E135-R139 PolarHBondContact O-N 2.9Å
136A91.9Very high93.4Very high35 Ų3577.7 Ų77.729%0.28938%0.38SS..Hα-helixtrans-67.8-44.5173.900000111.9Q132 M133 Y134 R139 A140Q132-A136 VanDerWaalsContact O-CB 3.31Å; Q132-A136 WeakPolarHBondContact O-CB 3.48Å; Q132-A136 PolarHBondContact O-N 3.25Å; M133-A136 WeakPolarHBondContact O-CB 3.44Å; M133-A136 PolarHBondContact O-N 3.42Å; Y134-A136 VanDerWaalsContact C-N 3.32Å; Y134-A136 PolarHBondContact O-N 3.14Å; A136-R139 PolarHBondContact O-N 3.43Å; A136-A140 WeakPolarHBondContact O-CB 3.11Å; A136-A140 PolarHBondContact O-N 2.94Å
137K93.8Very high93.3Very high36 Ų3672.8 Ų72.816%0.15735%0.354CS..Hα-helixtrans-58-47.6174.6-75.3178.4176.11780111.6M133 Y134 R139 A140 G141 I142 D147M133-K137 WeakPolarHBondContact O-CG 3.3Å; M133-K137 PolarHBondContact O-N 3.35Å; Y134-K137 PolarHBondContact O-N 2.88Å; K137-R139 PolarHBondContact O-N 3.5Å; K137-A140 WeakPolarHBondContact O-CB 3.14Å; K137-A140 PolarHBondContact O-N 2.63Å; K137-A140 VanDerWaalsContact O-N 3.1Å; K137-G141 PolarHBondContact O-N 3.45Å; K137-I142 HydrophobicContact CB-CB 4.11Å; K137-I142 HydrophobicContact CB-CD1 4.46Å; K137-I142 HydrophobicContact CB-CG2 4.43Å; K137-I142 HydrophobicContact CG-CD1 4.18Å; K137-I142 HydrophobicContact CG-CG2 4.49Å; K137-I142 WeakPolarHBondContact O-CB 3.26Å; K137-I142 PolarHBondContact O-N 2.94Å; K137-D147 IonicContact NZ-OD1 3.29Å; K137-D147 PolarHBondContact NZ-OD1 3.21Å
138R93.8Very high93.3Very high174 Ų17478.6 Ų78.666%0.65737%0.373SS*.Hα-helixtrans-58.8-47.1176.6-172.9-177.468.8-127.1-0.2111.9Y134 A140 G141Y134-R138 WeakPolarHBondContact O-CB 3.38Å; Y134-R138 PolarHBondContact O-N 3.37Å; R138-A140 VanDerWaalsContact C-N 3.26Å; R138-A140 PolarHBondContact O-N 3.41Å; R138-G141 PolarHBondContact O-N 3.35Å; R138-G141 VanDerWaalsContact O-N 3.14Å
139R91.9Very high93.4Very high142 Ų14273.6 Ų73.654%0.53634%0.34SS..Hα-helixtrans-63.8-31.7176.2-77.8-173.2-65.7-178.5-3.8112.9E135 A136 K137 G141E135-R139 WeakPolarHBondContact O-CB 3.09Å; E135-R139 WeakPolarHBondContact O-CG 3.35Å; E135-R139 PolarHBondContact O-N 2.9Å; A136-R139 PolarHBondContact O-N 3.43Å; K137-R139 PolarHBondContact O-N 3.5Å; R139-G141 PolarHBondContact O-N 3.01Å
140A93.8Very high93.5Very high7 Ų768.6 Ų68.66%0.05832%0.323CS..THydrogen-bonded Turntrans-74.9-8.517700000113.4A136 K137 R138 I142 V233 S238 I239A136-A140 WeakPolarHBondContact O-CB 3.11Å; A136-A140 PolarHBondContact O-N 2.94Å; K137-A140 WeakPolarHBondContact O-CB 3.14Å; K137-A140 PolarHBondContact O-N 2.63Å; K137-A140 VanDerWaalsContact O-N 3.1Å; R138-A140 VanDerWaalsContact C-N 3.26Å; R138-A140 PolarHBondContact O-N 3.41Å; A140-I142 VanDerWaalsContact C-N 3.35Å; A140-I142 HydrophobicContact CB-CD1 4.04Å; A140-I142 HydrophobicContact CB-CG1 4Å; A140-V233 HydrophobicContact CB-CG1 3.71Å; A140-S238 WeakPolarHBondContact O-CA 3.2Å; A140-I239 HydrophobicContact CB-CB 4.31Å; A140-I239 WeakPolarHBondContact O-CG2 3.48Å; A140-I239 PolarHBondContact O-N 3.04Å
141G94.7Very high93.6Very high37 Ų3769.9 Ų69.938%0.38133%0.331SS..THydrogen-bonded Turntrans75.322.7-173.300000113.5Q46 K137 R138 R139Q46-G141 PolarHBondContact NE2-O 3.03Å; Q46-G141 VanDerWaalsContact NE2-O 3.11Å; K137-G141 PolarHBondContact O-N 3.45Å; R138-G141 PolarHBondContact O-N 3.35Å; R138-G141 VanDerWaalsContact O-N 3.14Å; R139-G141 PolarHBondContact O-N 3.01Å
142I94.5Very high93.7Very high32 Ų3264.1 Ų64.116%0.16431%0.307CS..  trans-80.4124.1177-65.1174.4000109.1V42 K137 A140 L146 I239V42-I142 HydrophobicContact CB-CD1 4.48Å; V42-I142 HydrophobicContact CB-CG1 4.13Å; V42-I142 HydrophobicContact CG1-CD1 4.18Å; V42-I142 HydrophobicContact CG1-CG1 3.96Å; V42-I142 HydrophobicContact CG1-CG2 3.97Å; K137-I142 HydrophobicContact CB-CB 4.11Å; K137-I142 HydrophobicContact CB-CD1 4.46Å; K137-I142 HydrophobicContact CB-CG2 4.43Å; K137-I142 HydrophobicContact CG-CD1 4.18Å; K137-I142 HydrophobicContact CG-CG2 4.49Å; K137-I142 WeakPolarHBondContact O-CB 3.26Å; K137-I142 PolarHBondContact O-N 2.94Å; A140-I142 VanDerWaalsContact C-N 3.35Å; A140-I142 HydrophobicContact CB-CD1 4.04Å; A140-I142 HydrophobicContact CB-CG1 4Å; I142-L146 HydrophobicContact CG2-CB 4.46Å; I142-L146 HydrophobicContact CG2-CD2 3.71Å; I142-I239 HydrophobicContact CG1-CG2 4.12Å
143P93.4Very high93.8Very high26 Ų2658.3 Ų58.317%0.16928%0.28CS..  trans-63.4142.7179-23.635000112.9Q46 I49 E145 L146Q46-P143 HydrophobicContact CB-CG 4.41Å; Q46-P143 HydrophobicContact CG-CG 4.42Å; I49-P143 HydrophobicContact CD1-CB 4.06Å; I49-P143 HydrophobicContact CD1-CG 3.86Å; P143-E145 VanDerWaalsContact CB-OE2 3.29Å; P143-E145 WeakPolarHBondContact CB-OE2 3.49Å; P143-E145 PolarHBondContact O-N 3.13Å; P143-L146 VanDerWaalsContact O-CB 3.3Å; P143-L146 WeakPolarHBondContact O-CB 3.45Å; P143-L146 PolarHBondContact O-N 2.88Å
144V93.8Very high93.9Very high103 Ų10356.7 Ų56.762%0.62427%0.272SS*.THydrogen-bonded Turntrans-68.2-25.9178.466.30000111.9L146 D147V144-L146 PolarHBondContact O-N 3.19Å; V144-D147 WeakPolarHBondContact O-CB 3.32Å; V144-D147 PolarHBondContact O-N 3.45Å
145E95.2Very high94.1Very high112 Ų11253.1 Ų53.152%0.52326%0.259SS..Hα-helixtrans-59.4-26.8175.1-64.975.6-169.200111.9I49 P143 D147 R148 L149I49-E145 HydrophobicContact CG2-CB 3.89Å; P143-E145 VanDerWaalsContact CB-OE2 3.29Å; P143-E145 WeakPolarHBondContact CB-OE2 3.49Å; P143-E145 PolarHBondContact O-N 3.13Å; E145-D147 VanDerWaalsContact C-N 3.3Å; E145-D147 PolarHBondContact O-N 3Å; E145-R148 PolarHBondContact O-N 2.92Å; E145-L149 PolarHBondContact O-N 3.08Å
146L94.5Very high94.2Very high13 Ų1351.3 Ų51.37%0.06825%0.251CS..Hα-helixtrans-61.7-39.7174.1-177.260.4000111.2L41 V42 I49 I142 P143 V144 R148 L149 L150L41-L146 HydrophobicContact CB-CD1 4.38Å; L41-L146 HydrophobicContact CD1-CD1 4.01Å; V42-L146 HydrophobicContact CG1-CD2 3.42Å; V42-L146 VanDerWaalsContact CG1-CD2 3.42Å; I49-L146 HydrophobicContact CD1-CB 4.14Å; I49-L146 HydrophobicContact CG1-CD1 4.42Å; I142-L146 HydrophobicContact CG2-CB 4.46Å; I142-L146 HydrophobicContact CG2-CD2 3.71Å; P143-L146 VanDerWaalsContact O-CB 3.3Å; P143-L146 WeakPolarHBondContact O-CB 3.45Å; P143-L146 PolarHBondContact O-N 2.88Å; V144-L146 PolarHBondContact O-N 3.19Å; L146-R148 VanDerWaalsContact C-N 3.3Å; L146-R148 PolarHBondContact O-N 3.5Å; L146-L149 HydrophobicContact CD1-CD2 4.3Å; L146-L149 PolarHBondContact O-N 3.07Å; L146-L150 HydrophobicContact CD1-CD1 4.45Å; L146-L150 HydrophobicContact CD1-CD2 4.21Å; L146-L150 HydrophobicContact CD1-CG 4.09Å; L146-L150 HydrophobicContact CG-CD1 4.07Å; L146-L150 HydrophobicContact CG-CG 4.16Å; L146-L150 VanDerWaalsContact O-CG 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 2.9Å
147D93.4Very high94.3Very high25 Ų2549.9 Ų49.913%0.13424%0.24CC..Hα-helixtrans-64.1-38.3-178.9-67.6-42.1000111.7Y134 K137 V144 E145 T151Y134-D147 WeakPolarHBondContact CE1-OD2 3.33Å; K137-D147 IonicContact NZ-OD1 3.29Å; K137-D147 PolarHBondContact NZ-OD1 3.21Å; V144-D147 WeakPolarHBondContact O-CB 3.32Å; V144-D147 PolarHBondContact O-N 3.45Å; E145-D147 VanDerWaalsContact C-N 3.3Å; E145-D147 PolarHBondContact O-N 3Å; D147-T151 WeakPolarHBondContact O-CB 3.44Å; D147-T151 PolarHBondContact O-N 3.23Å; D147-T151 PolarHBondContact O-OG1 3.21Å
148R94.2Very high94.3Very high166 Ų16648.4 Ų48.463%0.62623%0.233SC*.Hα-helixtrans-62.9-49.2172.4-179.1-179.5179171.42.1111E145 L146 L150 T151 D152E145-R148 PolarHBondContact O-N 2.92Å; L146-R148 VanDerWaalsContact C-N 3.3Å; L146-R148 PolarHBondContact O-N 3.5Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 3.34Å; R148-T151 PolarHBondContact O-N 3.07Å; R148-D152 IonicContact NE-OD2 3.62Å; R148-D152 PolarHBondContact O-N 2.94Å
149L95.1Very high94.3Very high0 Ų045.8 Ų45.80%023%0.228CC..Hα-helixtrans-57.1-47.3178.8171.561.3000111.4L41 I49 W52 V56 E145 L146 T151 D152 S153L41-L149 HydrophobicContact CD1-CD2 4.03Å; I49-L149 HydrophobicContact CG2-CB 4.44Å; I49-L149 HydrophobicContact CG2-CD2 4.16Å; W52-L149 HydrophobicContact CB-CD1 3.67Å; W52-L149 HydrophobicContact CB-CD2 3.61Å; W52-L149 HydrophobicContact CB-CG 4.3Å; W52-L149 HydrophobicContact CG-CD2 4.3Å; V56-L149 HydrophobicContact CG2-CD1 4.02Å; E145-L149 PolarHBondContact O-N 3.08Å; L146-L149 HydrophobicContact CD1-CD2 4.3Å; L146-L149 PolarHBondContact O-N 3.07Å; L149-T151 VanDerWaalsContact C-N 3.33Å; L149-T151 PolarHBondContact O-N 3.19Å; L149-D152 PolarHBondContact O-N 2.79Å; L149-S153 WeakPolarHBondContact O-CB 3.23Å; L149-S153 PolarHBondContact O-N 3.49Å; L149-S153 PolarHBondContact O-OG 3.44Å
150L94.1Very high94.4Very high22 Ų2241.5 Ų41.512%0.11521%0.213CC..Hα-helixtrans-62.1-42179.9-65.6179000111.6H86 F121 L146 R148 L154H86-L150 HydrophobicContact CB-CD2 4.11Å; F121-L150 HydrophobicContact CE1-CB 4.49Å; F121-L150 HydrophobicContact CE1-CD1 4.47Å; F121-L150 HydrophobicContact CE2-CD1 4.09Å; F121-L150 HydrophobicContact CE2-CD2 4.36Å; F121-L150 HydrophobicContact CZ-CB 4.12Å; F121-L150 HydrophobicContact CZ-CD1 3.77Å; F121-L150 HydrophobicContact CZ-CD2 3.91Å; F121-L150 HydrophobicContact CZ-CG 4.11Å; L146-L150 HydrophobicContact CD1-CD1 4.45Å; L146-L150 HydrophobicContact CD1-CD2 4.21Å; L146-L150 HydrophobicContact CD1-CG 4.09Å; L146-L150 HydrophobicContact CG-CD1 4.07Å; L146-L150 HydrophobicContact CG-CG 4.16Å; L146-L150 VanDerWaalsContact O-CG 3.25Å; L146-L150 WeakPolarHBondContact O-CG 3.3Å; L146-L150 PolarHBondContact O-N 2.9Å; R148-L150 VanDerWaalsContact C-N 3.33Å; R148-L150 PolarHBondContact O-N 3.34Å; L150-L154 WeakPolarHBondContact O-CG 3.5Å; L150-L154 PolarHBondContact O-N 3.26Å
151T94.6Very high94.4Very high43 Ų4345.9 Ų45.926%0.26424%0.236SC..Hα-helixtrans-63.5-52.4177.9-57.20000111.2D147 R148 L149 S153 L154 K155 F165D147-T151 WeakPolarHBondContact O-CB 3.44Å; D147-T151 PolarHBondContact O-N 3.23Å; D147-T151 PolarHBondContact O-OG1 3.21Å; R148-T151 PolarHBondContact O-N 3.07Å; L149-T151 VanDerWaalsContact C-N 3.33Å; L149-T151 PolarHBondContact O-N 3.19Å; T151-S153 VanDerWaalsContact C-N 3.29Å; T151-S153 PolarHBondContact O-N 3.4Å; T151-L154 PolarHBondContact O-N 3.33Å; T151-K155 WeakPolarHBondContact O-CG 3.36Å; T151-K155 PolarHBondContact O-N 2.92Å; T151-K155 VanDerWaalsContact O-N 3.1Å; T151-F165 HydrophobicContact CG2-CD2 4.27Å; T151-F165 HydrophobicContact CG2-CE2 3.39Å; T151-F165 HydrophobicContact CG2-CZ 3.83Å
152D95Very high94.4Very high25 Ų2549.5 Ų49.513%0.13425%0.247CC..Hα-helixtrans-63.4-37.5-179.9-73.4-22.5000111.6Q53 V56 R148 L149 K155 L156Q53-D152 PolarHBondContact NE2-OD2 3.15Å; V56-D152 HydrophobicContact CG1-CB 3.71Å; R148-D152 IonicContact NE-OD2 3.62Å; R148-D152 PolarHBondContact O-N 2.94Å; L149-D152 PolarHBondContact O-N 2.79Å; D152-K155 PolarHBondContact O-N 3.28Å; D152-L156 PolarHBondContact O-N 2.76Å; D152-L156 VanDerWaalsContact O-N 3.09Å
153S95Very high94.4Very high2 Ų248.5 Ų48.51%0.01424%0.241CC..Hα-helixtrans-65.3-39.8177.1-62.60000112.7H86 W89 L149 T151 L156 A157H86-S153 WeakPolarHBondContact O-CB 3.38Å; H86-S153 PolarHBondContact O-OG 3.06Å; W89-S153 VanDerWaalsContact CD1-O 3.23Å; L149-S153 WeakPolarHBondContact O-CB 3.23Å; L149-S153 PolarHBondContact O-N 3.49Å; L149-S153 PolarHBondContact O-OG 3.44Å; T151-S153 VanDerWaalsContact C-N 3.29Å; T151-S153 PolarHBondContact O-N 3.4Å; S153-L156 PolarHBondContact O-N 2.88Å; S153-A157 WeakPolarHBondContact O-CB 3.46Å; S153-A157 PolarHBondContact O-N 2.81Å
154L94.8Very high94.6Very high3 Ų351 Ų512%0.01625%0.254CS..Hα-helixtrans-68.7-39.2176.6-77175.2000111.7L15 P16 F117 F121 M122 L150 T151 L156 A157 F158 F165L15-L154 HydrophobicContact CD2-CD2 4.16Å; P16-L154 HydrophobicContact CG-CD2 4.49Å; F117-L154 HydrophobicContact CE2-CD1 4.07Å; F117-L154 HydrophobicContact CZ-CD1 3.71Å; F121-L154 HydrophobicContact CE1-CD1 3.77Å; M122-L154 HydrophobicContact CE-CD1 4.01Å; L150-L154 WeakPolarHBondContact O-CG 3.5Å; L150-L154 PolarHBondContact O-N 3.26Å; T151-L154 PolarHBondContact O-N 3.33Å; L154-L156 VanDerWaalsContact C-N 3.28Å; L154-L156 PolarHBondContact O-N 3.04Å; L154-A157 PolarHBondContact O-N 3.33Å; L154-F158 HydrophobicContact CB-CD2 4.18Å; L154-F158 HydrophobicContact CB-CE2 4.11Å; L154-F158 HydrophobicContact CD2-CE2 3.84Å; L154-F158 HydrophobicContact CD2-CZ 4.15Å; L154-F158 HydrophobicContact CG-CE2 4.44Å; L154-F158 WeakPolarHBondContact O-CB 3.44Å; L154-F158 WeakPolarHBondContact O-CD2 3.21Å; L154-F158 WeakPolarHBondContact O-CG 3.44Å; L154-F158 PolarHBondContact O-N 3.49Å; L154-F165 HydrophobicContact CB-CE1 3.84Å; L154-F165 HydrophobicContact CB-CZ 3.98Å; L154-F165 HydrophobicContact CD1-CE1 3.75Å; L154-F165 HydrophobicContact CD1-CZ 4.45Å; L154-F165 HydrophobicContact CG-CE1 4.48Å
155K95.3Very high94.7Very high46 Ų4647.5 Ų47.520%0.223%0.23CC..Hα-helixtrans-59-41.3173.6-70.3-174.9175.7-154.10112T151 D152 Q159 K160 D161 L163 F165T151-K155 WeakPolarHBondContact O-CG 3.36Å; T151-K155 PolarHBondContact O-N 2.92Å; T151-K155 VanDerWaalsContact O-N 3.1Å; D152-K155 PolarHBondContact O-N 3.28Å; K155-Q159 WeakPolarHBondContact O-CA 3.33Å; K155-Q159 PolarHBondContact O-N 3.41Å; K155-K160 WeakPolarHBondContact CB-O 3.3Å; K155-K160 PolarHBondContact O-N 3.32Å; K155-D161 WeakPolarHBondContact CE-O 3.32Å; K155-D161 PolarHBondContact NZ-O 2.88Å; K155-L163 HydrophobicContact CG-CB 4.22Å; K155-L163 HydrophobicContact CG-CD2 4.26Å; K155-F165 HydrophobicContact CG-CE2 4.3Å; K155-F165 HydrophobicContact CG-CZ 4.18Å
156L94.5Very high94.9Very high29 Ų2944.6 Ų44.615%0.15222%0.218CC..Hα-helixtrans-65.1-47.1173.4-80.3171.5000112.5V56 V59 R60 W89 D152 S153 L154 F158 Q159V56-L156 HydrophobicContact CB-CD1 4.14Å; V56-L156 HydrophobicContact CG1-CD1 3.87Å; V56-L156 HydrophobicContact CG2-CD1 4.03Å; V59-L156 HydrophobicContact CG1-CD2 4.46Å; R60-L156 HydrophobicContact CG-CD1 4.26Å; R60-L156 HydrophobicContact CG-CD2 3.7Å; R60-L156 HydrophobicContact CG-CG 4.28Å; W89-L156 HydrophobicContact CB-CB 4.03Å; W89-L156 HydrophobicContact CD2-CB 3.77Å; W89-L156 HydrophobicContact CD2-CD1 3.78Å; W89-L156 HydrophobicContact CD2-CG 4.35Å; W89-L156 HydrophobicContact CE3-CB 4.25Å; W89-L156 HydrophobicContact CE3-CD1 3.83Å; W89-L156 HydrophobicContact CE3-CG 4.48Å; W89-L156 HydrophobicContact CG-CB 3.63Å; W89-L156 HydrophobicContact CH2-CD1 3.83Å; W89-L156 HydrophobicContact CZ2-CD1 3.76Å; W89-L156 HydrophobicContact CZ3-CD1 3.84Å; D152-L156 PolarHBondContact O-N 2.76Å; D152-L156 VanDerWaalsContact O-N 3.09Å; S153-L156 PolarHBondContact O-N 2.88Å; L154-L156 VanDerWaalsContact C-N 3.28Å; L154-L156 PolarHBondContact O-N 3.04Å; L156-F158 PolarHBondContact O-N 3.03Å; L156-Q159 PolarHBondContact O-N 2.69Å; L156-Q159 VanDerWaalsContact O-N 3.1Å
157A94.1Very high95Very high5 Ų546.9 Ų46.94%0.04123%0.23CC..Hα-helixtrans-58.5-45.8177.900000112.5L15 C88 W89 S153 L154 Q159L15-A157 HydrophobicContact CD2-CB 4.17Å; C88-A157 VanDerWaalsContact SG-CB 3.54Å; W89-A157 HydrophobicContact CB-CB 4.37Å; S153-A157 WeakPolarHBondContact O-CB 3.46Å; S153-A157 PolarHBondContact O-N 2.81Å; L154-A157 PolarHBondContact O-N 3.33Å; A157-Q159 PolarHBondContact O-N 2.73Å
158F94.8Very high95.3Very high5 Ų548 Ų482%0.02224%0.236CC..THydrogen-bonded Turntrans-80.1-5.5178.7-61.7-43.9000113.8L15 W113 L154 L156 K160 L163 L171 C174 H178L15-F158 HydrophobicContact CD1-CE1 3.55Å; L15-F158 HydrophobicContact CD1-CZ 4.06Å; L15-F158 HydrophobicContact CD2-CE1 4.04Å; L15-F158 HydrophobicContact CD2-CZ 4.24Å; L15-F158 HydrophobicContact CG-CE1 4.47Å; W113-F158 HydrophobicContact CH2-CZ 4.15Å; W113-F158 HydrophobicContact CZ2-CZ 4.26Å; L154-F158 HydrophobicContact CB-CD2 4.18Å; L154-F158 HydrophobicContact CB-CE2 4.11Å; L154-F158 HydrophobicContact CD2-CE2 3.84Å; L154-F158 HydrophobicContact CD2-CZ 4.15Å; L154-F158 HydrophobicContact CG-CE2 4.44Å; L154-F158 WeakPolarHBondContact O-CB 3.44Å; L154-F158 WeakPolarHBondContact O-CD2 3.21Å; L154-F158 WeakPolarHBondContact O-CG 3.44Å; L154-F158 PolarHBondContact O-N 3.49Å; L156-F158 PolarHBondContact O-N 3.03Å; F158-K160 HydrophobicContact CB-CB 4.43Å; F158-K160 PolarHBondContact O-N 2.87Å; F158-L163 HydrophobicContact CD2-CD1 4.4Å; F158-L163 HydrophobicContact CD2-CD2 3.54Å; F158-L163 HydrophobicContact CE2-CD2 4.18Å; F158-L171 HydrophobicContact CE2-CD2 4.18Å; F158-C174 HydrophobicContact CB-CB 3.91Å; F158-C174 HydrophobicContact CD1-CB 3.46Å; F158-C174 VanDerWaalsContact CD1-CB 3.46Å; F158-C174 HydrophobicContact CD2-CB 4.21Å; F158-C174 HydrophobicContact CE1-CB 3.87Å; F158-C174 HydrophobicContact CG-CB 3.62Å; F158-C174 HydrophobicContact CZ-CB 4.41Å; F158-H178 HydrophobicContact CD1-CB 4.48Å
159Q93.5Very high95.5Very high119 Ų11943.3 Ų43.356%0.55623%0.233SC*.THydrogen-bonded Turntrans51.544-176.3-56.9170.737.200111.4K155 L156 A157K155-Q159 WeakPolarHBondContact O-CA 3.33Å; K155-Q159 PolarHBondContact O-N 3.41Å; L156-Q159 PolarHBondContact O-N 2.69Å; L156-Q159 VanDerWaalsContact O-N 3.1Å; A157-Q159 PolarHBondContact O-N 2.73Å
160K94.8Very high95.6Very high51 Ų5145.1 Ų45.122%0.22224%0.242CC..  trans-143.5106.2-173.8-168.1170.7173.555.70110.8K155 F158 D162 L163 M170K155-K160 WeakPolarHBondContact CB-O 3.3Å; K155-K160 PolarHBondContact O-N 3.32Å; F158-K160 HydrophobicContact CB-CB 4.43Å; F158-K160 PolarHBondContact O-N 2.87Å; K160-D162 WeakPolarHBondContact CE-OD1 3.47Å; K160-D162 WeakPolarHBondContact CG-OD1 3.26Å; K160-D162 IonicContact NZ-OD1 2.63Å; K160-D162 PolarHBondContact NZ-OD1 2.81Å; K160-D162 IonicContact NZ-OD2 3.88Å; K160-D162 PolarHBondContact NZ-OD2 2.72Å; K160-L163 HydrophobicContact CB-CB 4.35Å; K160-L163 HydrophobicContact CD-CD1 4.12Å; K160-L163 HydrophobicContact CG-CB 4.22Å; K160-L163 WeakPolarHBondContact O-CB 3.25Å; K160-M170 HydrophobicContact CD-CG 4.29Å; K160-M170 HydrophobicContact CD-SD 4Å; K160-M170 WeakPolarHBondContact CE-SD 3.41Å
161D93Very high95.8Very high99 Ų9944 Ų4453%0.52924%0.236SC..THydrogen-bonded Turntrans-77.3-34-177.5-76.2-29.7000113R60 K155 L163R60-D161 IonicContact CZ-OD1 2.67Å; R60-D161 IonicContact NE-OD1 3.83Å; R60-D161 IonicContact NH2-OD1 3.84Å; R60-D161 PolarHBondContact NH2-OD1 3.03Å; R60-D161 IonicContact NH2-OD2 2.81Å; K155-D161 WeakPolarHBondContact CE-O 3.32Å; K155-D161 PolarHBondContact NZ-O 2.88Å; D161-L163 PolarHBondContact O-N 3.47Å
162D94.7Very high96Very high114 Ų11443.3 Ų43.361%0.6123%0.23SC*.THydrogen-bonded Turntrans-87.923.9176.668.5-36000112.3K160 D164K160-D162 WeakPolarHBondContact CE-OD1 3.47Å; K160-D162 WeakPolarHBondContact CG-OD1 3.26Å; K160-D162 IonicContact NZ-OD1 2.63Å; K160-D162 PolarHBondContact NZ-OD1 2.81Å; K160-D162 IonicContact NZ-OD2 3.88Å; K160-D162 PolarHBondContact NZ-OD2 2.72Å; D162-D164 PolarHBondContact O-N 3.34Å
163L95Very high96.1Very high10 Ų1048.4 Ų48.45%0.05225%0.254CS..  trans-60.4118.6178.4-176.869.2000110.6K155 F158 K160 D161 F165 M170 L171K155-L163 HydrophobicContact CG-CB 4.22Å; K155-L163 HydrophobicContact CG-CD2 4.26Å; F158-L163 HydrophobicContact CD2-CD1 4.4Å; F158-L163 HydrophobicContact CD2-CD2 3.54Å; F158-L163 HydrophobicContact CE2-CD2 4.18Å; K160-L163 HydrophobicContact CB-CB 4.35Å; K160-L163 HydrophobicContact CD-CD1 4.12Å; K160-L163 HydrophobicContact CG-CB 4.22Å; K160-L163 WeakPolarHBondContact O-CB 3.25Å; D161-L163 PolarHBondContact O-N 3.47Å; L163-F165 HydrophobicContact CD2-CD1 3.96Å; L163-F165 HydrophobicContact CD2-CE1 3.38Å; L163-F165 HydrophobicContact CD2-CE2 4.03Å; L163-F165 HydrophobicContact CD2-CZ 3.45Å; L163-F165 VanDerWaalsContact CD2-CZ 3.45Å; L163-F165 HydrophobicContact CG-CD1 4.4Å; L163-F165 HydrophobicContact CG-CE1 4.26Å; L163-F165 HydrophobicContact CG-CE2 4.44Å; L163-F165 HydrophobicContact CG-CZ 4.31Å; L163-M170 HydrophobicContact CD1-CG 4.05Å; L163-M170 HydrophobicContact CD1-SD 3.88Å; L163-L171 HydrophobicContact CD1-CD2 4.3Å
164D97.3Very high96.2Very high79 Ų7948.7 Ų48.742%0.42226%0.256SS..  trans-85.7110167-174.2-6.6000108.7D162 D166 D167 M170D162-D164 PolarHBondContact O-N 3.34Å; D164-D166 PolarHBondContact O-N 3.28Å; D164-D166 PolarHBondContact OD1-N 2.91Å; D164-D167 HydrophobicContact CB-CB 4.08Å; D164-D167 PolarHBondContact O-N 2.9Å; D164-M170 HydrophobicContact CB-CE 4.22Å; D164-M170 HydrophobicContact CB-SD 4.1Å; D164-M170 PolarHBondContact N-SD 3.21Å; D164-M170 VanDerWaalsContact N-SD 3.35Å
165F96.6Very high96.3Very high30 Ų3048.8 Ų48.813%0.13226%0.256CS..THydrogen-bonded Turntrans-73.1-12.5179.2-73-77.3000113R118 M122 T151 L154 K155 L163 L171R118-F165 PolarHBondContact NH1-O 3.21Å; R118-F165 PolarHBondContact NH2-O 2.99Å; M122-F165 HydrophobicContact CE-CD1 4.11Å; M122-F165 HydrophobicContact CE-CE1 4.09Å; M122-F165 HydrophobicContact SD-CB 3.79Å; M122-F165 HydrophobicContact SD-CD1 3.2Å; M122-F165 WeakPolarHBondContact SD-CD1 3.49Å; M122-F165 HydrophobicContact SD-CD2 4.43Å; M122-F165 HydrophobicContact SD-CE1 3.79Å; M122-F165 HydrophobicContact SD-CG 3.56Å; M122-F165 VanDerWaalsContact SD-CG 3.56Å; T151-F165 HydrophobicContact CG2-CD2 4.27Å; T151-F165 HydrophobicContact CG2-CE2 3.39Å; T151-F165 HydrophobicContact CG2-CZ 3.83Å; L154-F165 HydrophobicContact CB-CE1 3.84Å; L154-F165 HydrophobicContact CB-CZ 3.98Å; L154-F165 HydrophobicContact CD1-CE1 3.75Å; L154-F165 HydrophobicContact CD1-CZ 4.45Å; L154-F165 HydrophobicContact CG-CE1 4.48Å; K155-F165 HydrophobicContact CG-CE2 4.3Å; K155-F165 HydrophobicContact CG-CZ 4.18Å; L163-F165 HydrophobicContact CD2-CD1 3.96Å; L163-F165 HydrophobicContact CD2-CE1 3.38Å; L163-F165 HydrophobicContact CD2-CE2 4.03Å; L163-F165 HydrophobicContact CD2-CZ 3.45Å; L163-F165 VanDerWaalsContact CD2-CZ 3.45Å; L163-F165 HydrophobicContact CG-CD1 4.4Å; L163-F165 HydrophobicContact CG-CE1 4.26Å; L163-F165 HydrophobicContact CG-CE2 4.44Å; L163-F165 HydrophobicContact CG-CZ 4.31Å; F165-L171 HydrophobicContact CD1-CD2 4.26Å
166D97.7Very high96.4Very high51 Ų5151 Ų5127%0.27327%0.267SS..THydrogen-bonded Turntrans-91-12.7176.9-71.5-31.5000113.3R118 K124 S125 D164 D168R118-D166 PolarHBondContact NH2-O 3.44Å; K124-D166 WeakPolarHBondContact CA-OD1 3.19Å; K124-D166 VanDerWaalsContact CE-O 3.26Å; K124-D166 WeakPolarHBondContact CE-O 3.01Å; K124-D166 PolarHBondContact NZ-O 3.47Å; K124-D166 VanDerWaalsContact NZ-O 3.15Å; S125-D166 WeakPolarHBondContact CB-OD2 3.24Å; S125-D166 PolarHBondContact N-OD1 3.07Å; S125-D166 PolarHBondContact OG-OD2 3.41Å; D164-D166 PolarHBondContact O-N 3.28Å; D164-D166 PolarHBondContact OD1-N 2.91Å; D166-D168 PolarHBondContact O-N 3.3Å
167D98.1Very high96.5Very high60 Ų6054.5 Ų54.532%0.32128%0.281SS..  trans-83.6104.5175.4-172.7-16.5000111.2D164 A169 M170 L171D164-D167 HydrophobicContact CB-CB 4.08Å; D164-D167 PolarHBondContact O-N 2.9Å; D167-A169 WeakPolarHBondContact OD1-CB 3.49Å; D167-A169 PolarHBondContact OD1-N 3.16Å; D167-M170 HydrophobicContact CB-CB 3.79Å; D167-M170 PolarHBondContact O-N 3.3Å; D167-M170 PolarHBondContact OD1-N 3.33Å; D167-L171 WeakPolarHBondContact O-CG 3.46Å; D167-L171 PolarHBondContact O-N 3.45Å; D167-L171 VanDerWaalsContact O-N 3.08Å
168D98.4Very high96.6Very high49 Ų4954.5 Ų54.526%0.26228%0.28SS..Hα-helixtrans-65.8-35.8178.3-71.9-24.2000112.8L114 R118 K124 D166 L171 L172L114-D168 HydrophobicContact CD2-CB 3.69Å; R118-D168 IonicContact CZ-OD1 2.75Å; R118-D168 IonicContact NE-OD1 3.75Å; R118-D168 PolarHBondContact NE-OD1 3.47Å; R118-D168 IonicContact NH2-OD1 2.87Å; R118-D168 PolarHBondContact NH2-OD1 3.02Å; K124-D168 WeakPolarHBondContact CE-OD1 3.43Å; K124-D168 WeakPolarHBondContact CE-OD2 3.45Å; K124-D168 VanDerWaalsContact NZ-CG 3.33Å; K124-D168 IonicContact NZ-OD1 3.74Å; K124-D168 IonicContact NZ-OD2 2.7Å; K124-D168 PolarHBondContact NZ-OD2 3.36Å; D166-D168 PolarHBondContact O-N 3.3Å; D168-L171 PolarHBondContact O-N 3.43Å; D168-L172 VanDerWaalsContact O-CG 3.26Å; D168-L172 WeakPolarHBondContact O-CG 3.16Å; D168-L172 PolarHBondContact O-N 3.01Å
169A98.3Very high96.6Very high67 Ų6755.6 Ų55.655%0.55429%0.286SS*.Hα-helixtrans-67.4-42.2179.700000110.2D167 L172 E173D167-A169 WeakPolarHBondContact OD1-CB 3.49Å; D167-A169 PolarHBondContact OD1-N 3.16Å; A169-L172 PolarHBondContact O-N 2.89Å; A169-E173 PolarHBondContact O-N 2.87Å
170M98.1Very high96.8Very high38 Ų3855.5 Ų55.519%0.18728%0.283CS..Hα-helixtrans-62-43.8174.7-171.5179.9-63.800112.1K160 L163 D164 D167 L172 E173 C174K160-M170 HydrophobicContact CD-CG 4.29Å; K160-M170 HydrophobicContact CD-SD 4Å; K160-M170 WeakPolarHBondContact CE-SD 3.41Å; L163-M170 HydrophobicContact CD1-CG 4.05Å; L163-M170 HydrophobicContact CD1-SD 3.88Å; D164-M170 HydrophobicContact CB-CE 4.22Å; D164-M170 HydrophobicContact CB-SD 4.1Å; D164-M170 PolarHBondContact N-SD 3.21Å; D164-M170 VanDerWaalsContact N-SD 3.35Å; D167-M170 HydrophobicContact CB-CB 3.79Å; D167-M170 PolarHBondContact O-N 3.3Å; D167-M170 PolarHBondContact OD1-N 3.33Å; M170-L172 VanDerWaalsContact C-N 3.35Å; M170-L172 PolarHBondContact O-N 3.09Å; M170-E173 PolarHBondContact O-N 3.22Å; M170-C174 WeakPolarHBondContact O-CB 3.34Å; M170-C174 PolarHBondContact O-N 3.27Å; M170-C174 PolarHBondContact O-SG 2.94Å
171L98Very high96.8Very high0 Ų053.9 Ų53.90%028%0.278CS..Hα-helixtrans-62.8-40.1177.1-72.9-178.8000112.5W113 L114 F117 R118 F158 L163 F165 D167 D168 C174 Y175W113-L171 HydrophobicContact CH2-CB 4.31Å; W113-L171 HydrophobicContact CZ3-CB 4.33Å; L114-L171 HydrophobicContact CD1-CB 4.16Å; L114-L171 HydrophobicContact CD1-CD1 3.98Å; F117-L171 HydrophobicContact CD1-CD1 4.28Å; F117-L171 HydrophobicContact CE1-CD1 4.04Å; R118-L171 VanDerWaalsContact NH2-CD1 3.34Å; F158-L171 HydrophobicContact CE2-CD2 4.18Å; L163-L171 HydrophobicContact CD1-CD2 4.3Å; F165-L171 HydrophobicContact CD1-CD2 4.26Å; D167-L171 WeakPolarHBondContact O-CG 3.46Å; D167-L171 PolarHBondContact O-N 3.45Å; D167-L171 VanDerWaalsContact O-N 3.08Å; D168-L171 PolarHBondContact O-N 3.43Å; L171-C174 PolarHBondContact O-N 2.98Å; L171-Y175 WeakPolarHBondContact O-CB 3.42Å; L171-Y175 PolarHBondContact O-N 2.87Å
172L98.4Very high96.9Very high27 Ų2749.3 Ų49.314%0.14125%0.253CS..Hα-helixtrans-65.3-44177-71.4169.9000111.9K110 W113 L114 D168 A169 M170 C174 Y175 E176K110-L172 HydrophobicContact CB-CD2 3.82Å; K110-L172 HydrophobicContact CD-CD2 4.25Å; K110-L172 HydrophobicContact CG-CD2 3.9Å; K110-L172 WeakPolarHBondContact O-CD2 3.23Å; W113-L172 HydrophobicContact CE3-CD2 4.48Å; L114-L172 HydrophobicContact CB-CD2 3.82Å; L114-L172 HydrophobicContact CB-CG 4.49Å; L114-L172 HydrophobicContact CD2-CD1 3.9Å; L114-L172 HydrophobicContact CD2-CD2 4.07Å; L114-L172 HydrophobicContact CD2-CG 3.9Å; L114-L172 HydrophobicContact CG-CD2 4.47Å; D168-L172 VanDerWaalsContact O-CG 3.26Å; D168-L172 WeakPolarHBondContact O-CG 3.16Å; D168-L172 PolarHBondContact O-N 3.01Å; A169-L172 PolarHBondContact O-N 2.89Å; M170-L172 VanDerWaalsContact C-N 3.35Å; M170-L172 PolarHBondContact O-N 3.09Å; L172-C174 VanDerWaalsContact C-N 3.33Å; L172-C174 PolarHBondContact O-N 3.29Å; L172-Y175 WeakPolarHBondContact O-CB 3.33Å; L172-Y175 PolarHBondContact O-N 2.74Å; L172-E176 PolarHBondContact O-N 2.67Å; L172-E176 VanDerWaalsContact O-N 3.07Å
173E98Very high97Very high133 Ų13349 Ų4962%0.62125%0.248SC*.Hα-helixtrans-60.8-44.2174.8-173.9-174.717000111A169 M170 Y175 E176 K177A169-E173 PolarHBondContact O-N 2.87Å; M170-E173 PolarHBondContact O-N 3.22Å; E173-Y175 VanDerWaalsContact C-N 3.33Å; E173-Y175 PolarHBondContact O-N 2.82Å; E173-E176 PolarHBondContact O-N 3.34Å; E173-K177 VanDerWaalsContact O-CB 3.29Å; E173-K177 WeakPolarHBondContact O-CB 3.3Å; E173-K177 PolarHBondContact O-N 3.4Å
174C97.3Very high97.1Very high8 Ų854.6 Ų54.65%0.05427%0.274CS..Hα-helixtrans-63.5-38177.8-70.50000112.3F158 M170 L171 L172 H178F158-C174 HydrophobicContact CB-CB 3.91Å; F158-C174 HydrophobicContact CD1-CB 3.46Å; F158-C174 VanDerWaalsContact CD1-CB 3.46Å; F158-C174 HydrophobicContact CD2-CB 4.21Å; F158-C174 HydrophobicContact CE1-CB 3.87Å; F158-C174 HydrophobicContact CG-CB 3.62Å; F158-C174 HydrophobicContact CZ-CB 4.41Å; M170-C174 WeakPolarHBondContact O-CB 3.34Å; M170-C174 PolarHBondContact O-N 3.27Å; M170-C174 PolarHBondContact O-SG 2.94Å; L171-C174 PolarHBondContact O-N 2.98Å; L172-C174 VanDerWaalsContact C-N 3.33Å; L172-C174 PolarHBondContact O-N 3.29Å; C174-H178 VanDerWaalsContact O-CB 3.32Å; C174-H178 WeakPolarHBondContact O-CB 3.46Å; C174-H178 PolarHBondContact O-N 3.48Å
175Y97.1Very high97Very high5 Ų554.4 Ų54.42%0.0227%0.273CS..Hα-helixtrans-61.9-49.6174.8-179.2-98.8000112.1L15 T18 R108 K110 W113 L171 L172 E173 H178 I179L15-Y175 HydrophobicContact CD1-CD2 3.51Å; L15-Y175 HydrophobicContact CD1-CE2 4.01Å; T18-Y175 HydrophobicContact CG2-CE2 4Å; R108-Y175 PolarHBondContact N-OH 3.35Å; R108-Y175 VanDerWaalsContact N-OH 3.07Å; R108-Y175 PolarHBondContact O-OH 3.28Å; K110-Y175 HydrophobicContact CB-CD1 3.84Å; K110-Y175 HydrophobicContact CB-CE1 4.08Å; W113-Y175 HydrophobicContact CB-CE2 4.23Å; W113-Y175 AromaticContact CD1-CE2 3.69Å; W113-Y175 AromaticContact CD2-CD2 3.34Å; W113-Y175 HydrophobicContact CD2-CD2 3.34Å; W113-Y175 AromaticContact CD2-CE2 3.63Å; W113-Y175 HydrophobicContact CD2-CE2 3.63Å; W113-Y175 AromaticContact CD2-CG 3.91Å; W113-Y175 HydrophobicContact CD2-CG 3.91Å; W113-Y175 AromaticContact CE2-CD2 3.45Å; W113-Y175 VanDerWaalsContact CE2-CD2 3.45Å; W113-Y175 AromaticContact CE2-CE2 3.82Å; W113-Y175 HydrophobicContact CE3-CD1 4.34Å; W113-Y175 AromaticContact CE3-CD2 3.61Å; W113-Y175 HydrophobicContact CE3-CD2 3.61Å; W113-Y175 HydrophobicContact CE3-CE2 4.27Å; W113-Y175 AromaticContact CE3-CG 3.68Å; W113-Y175 HydrophobicContact CE3-CG 3.68Å; W113-Y175 AromaticContact CG-CD2 3.84Å; W113-Y175 HydrophobicContact CG-CD2 3.84Å; W113-Y175 AromaticContact CG-CE2 3.57Å; W113-Y175 HydrophobicContact CG-CE2 3.57Å; W113-Y175 HydrophobicContact CH2-CD2 4.04Å; W113-Y175 HydrophobicContact CH2-CG 4.33Å; W113-Y175 AromaticContact CZ2-CD2 3.81Å; W113-Y175 HydrophobicContact CZ2-CD2 3.81Å; W113-Y175 AromaticContact CZ3-CD2 3.96Å; W113-Y175 HydrophobicContact CZ3-CD2 3.96Å; W113-Y175 AromaticContact CZ3-CG 3.91Å; W113-Y175 HydrophobicContact CZ3-CG 3.91Å; W113-Y175 AromaticContact NE1-CD2 3.92Å; W113-Y175 AromaticContact NE1-CE2 3.82Å; L171-Y175 WeakPolarHBondContact O-CB 3.42Å; L171-Y175 PolarHBondContact O-N 2.87Å; L172-Y175 WeakPolarHBondContact O-CB 3.33Å; L172-Y175 PolarHBondContact O-N 2.74Å; E173-Y175 VanDerWaalsContact C-N 3.33Å; E173-Y175 PolarHBondContact O-N 2.82Å; Y175-H178 WeakPolarHBondContact O-CB 3.32Å; Y175-H178 PolarHBondContact O-N 2.99Å; Y175-I179 HydrophobicContact CD1-CD1 3.95Å; Y175-I179 HydrophobicContact CE1-CD1 3.41Å; Y175-I179 VanDerWaalsContact CE1-CD1 3.41Å; Y175-I179 HydrophobicContact CE2-CD1 4.47Å; Y175-I179 PolarHBondContact O-N 3.39Å; Y175-I179 VanDerWaalsContact O-N 3.16Å
176E97.7Very high97Very high92 Ų9253.3 Ų53.343%0.4327%0.268SS..Hα-helixtrans-63.9-43178.8-69.4178.9124.700111.3K110 L172 E173 H178 I179 K180K110-E176 VanDerWaalsContact CD-CD 3.47Å; K110-E176 HydrophobicContact CD-CG 3.96Å; K110-E176 VanDerWaalsContact CD-OE1 3.25Å; K110-E176 WeakPolarHBondContact CD-OE1 3.41Å; K110-E176 WeakPolarHBondContact CE-OE1 3Å; K110-E176 IonicContact NZ-OE1 3.76Å; K110-E176 PolarHBondContact NZ-OE1 2.68Å; K110-E176 IonicContact NZ-OE2 3.89Å; K110-E176 PolarHBondContact NZ-OE2 3Å; L172-E176 PolarHBondContact O-N 2.67Å; L172-E176 VanDerWaalsContact O-N 3.07Å; E173-E176 PolarHBondContact O-N 3.34Å; E176-H178 VanDerWaalsContact C-N 3.35Å; E176-H178 PolarHBondContact O-N 3.44Å; E176-I179 PolarHBondContact O-N 3.08Å; E176-K180 PolarHBondContact O-N 3.35Å
177K96.6Very high96.9Very high102 Ų10253.7 Ų53.744%0.44327%0.274SS..Hα-helixtrans-62.7-39.1175.6-175.5-178175.8-171.10112.4E173 K180 T181E173-K177 VanDerWaalsContact O-CB 3.29Å; E173-K177 WeakPolarHBondContact O-CB 3.3Å; E173-K177 PolarHBondContact O-N 3.4Å; K177-K180 PolarHBondContact O-N 2.9Å; K177-T181 WeakPolarHBondContact O-CB 3.37Å; K177-T181 PolarHBondContact O-N 3.42Å; K177-T181 PolarHBondContact O-OG1 2.88Å
178H95Very high96.8Very high6 Ų655.7 Ų55.73%0.02829%0.292CS..Hα-helixtrans-58.3-49.8175.1179.884.4000110.4A13 L15 F158 C174 Y175 E176 K180 T181 F182A13-H178 PolarHBondContact O-NE2 3.45Å; L15-H178 HydrophobicContact CD1-CB 4.16Å; F158-H178 HydrophobicContact CD1-CB 4.48Å; C174-H178 VanDerWaalsContact O-CB 3.32Å; C174-H178 WeakPolarHBondContact O-CB 3.46Å; C174-H178 PolarHBondContact O-N 3.48Å; Y175-H178 WeakPolarHBondContact O-CB 3.32Å; Y175-H178 PolarHBondContact O-N 2.99Å; E176-H178 VanDerWaalsContact C-N 3.35Å; E176-H178 PolarHBondContact O-N 3.44Å; H178-K180 PolarHBondContact O-N 3.41Å; H178-T181 WeakPolarHBondContact O-CB 3.22Å; H178-T181 PolarHBondContact O-N 3.32Å; H178-F182 AromaticContact CE1-CD2 3.94Å; H178-F182 AromaticContact CE1-CE2 3.22Å; H178-F182 WeakPolarHBondContact CE1-CE2 3.37Å; H178-F182 AromaticContact CE1-CZ 3.93Å; H178-F182 AromaticContact ND1-CE2 3.8Å; H178-F182 AromaticContact NE2-CD2 3.9Å; H178-F182 AromaticContact NE2-CE2 3.49Å; H178-F182 WeakPolarHBondContact NE2-CE2 3.29Å; H178-F182 VanDerWaalsContact O-CD2 3.3Å; H178-F182 WeakPolarHBondContact O-CD2 3.16Å; H178-F182 PolarHBondContact O-N 2.89Å
179I96.1Very high96.7Very high27 Ų2759.7 Ų59.714%0.13831%0.309CS..Hα-helixtrans-59.3-49.9178.8-65.5168.9000111.2L105 V107 Y175 E176 T181 F182 Q183L105-I179 HydrophobicContact CD2-CB 4.33Å; L105-I179 HydrophobicContact CD2-CG1 4.35Å; L105-I179 HydrophobicContact CD2-CG2 4Å; V107-I179 HydrophobicContact CB-CD1 4.15Å; V107-I179 HydrophobicContact CG1-CD1 3.63Å; V107-I179 HydrophobicContact CG1-CG1 3.78Å; V107-I179 HydrophobicContact CG1-CG2 4.31Å; Y175-I179 HydrophobicContact CD1-CD1 3.95Å; Y175-I179 HydrophobicContact CE1-CD1 3.41Å; Y175-I179 VanDerWaalsContact CE1-CD1 3.41Å; Y175-I179 HydrophobicContact CE2-CD1 4.47Å; Y175-I179 PolarHBondContact O-N 3.39Å; Y175-I179 VanDerWaalsContact O-N 3.16Å; E176-I179 PolarHBondContact O-N 3.08Å; I179-T181 VanDerWaalsContact C-N 3.31Å; I179-T181 PolarHBondContact O-N 2.89Å; I179-F182 PolarHBondContact O-N 2.64Å; I179-Q183 WeakPolarHBondContact O-CG 3.33Å; I179-Q183 PolarHBondContact O-N 3.27Å; I179-Q183 VanDerWaalsContact O-N 3.13Å
180K96.8Very high96.6Very high117 Ų11759.2 Ų59.251%0.50929%0.293SS..Hα-helixtrans-58.4-43.1179.1-178.7174.4172.8178.90112E176 K177 H178 F182 Q183 E184E176-K180 PolarHBondContact O-N 3.35Å; K177-K180 PolarHBondContact O-N 2.9Å; H178-K180 PolarHBondContact O-N 3.41Å; K180-F182 VanDerWaalsContact C-N 3.3Å; K180-F182 PolarHBondContact O-N 2.8Å; K180-Q183 PolarHBondContact O-N 3.34Å; K180-E184 WeakPolarHBondContact CE-OE1 3.2Å; K180-E184 HydrophobicContact CG-CG 4.27Å; K180-E184 IonicContact NZ-OE1 3.78Å; K180-E184 WeakPolarHBondContact O-CB 3.14Å; K180-E184 WeakPolarHBondContact O-CG 3.27Å; K180-E184 PolarHBondContact O-N 3.28Å
181T95.5Very high96.5Very high17 Ų1758.3 Ų58.310%0.10429%0.289CS..Hα-helixtrans-56.3-45.2178.1-61.10000111.2K177 H178 I179 E184 N185K177-T181 WeakPolarHBondContact O-CB 3.37Å; K177-T181 PolarHBondContact O-N 3.42Å; K177-T181 PolarHBondContact O-OG1 2.88Å; H178-T181 WeakPolarHBondContact O-CB 3.22Å; H178-T181 PolarHBondContact O-N 3.32Å; I179-T181 VanDerWaalsContact C-N 3.31Å; I179-T181 PolarHBondContact O-N 2.89Å; T181-E184 PolarHBondContact O-N 3.47Å; T181-N185 VanDerWaalsContact O-CB 3.29Å; T181-N185 WeakPolarHBondContact O-CB 3.43Å; T181-N185 PolarHBondContact O-N 3.18Å; T181-N185 PolarHBondContact O-ND2 3.45Å
182F95.3Very high96.6Very high3 Ų359.7 Ų59.71%0.01330%0.296CS..Hα-helixtrans-65.2-44.8179.1-87.6-105.7000112.1A13 C88 Y91 V103 L105 H178 I179 K180 E184 N185 I186A13-F182 HydrophobicContact CB-CD1 4.06Å; A13-F182 HydrophobicContact CB-CE1 3.19Å; A13-F182 HydrophobicContact CB-CZ 3.63Å; C88-F182 WeakPolarHBondContact O-CZ 3.39Å; Y91-F182 AromaticContact CD1-CE1 3.81Å; Y91-F182 HydrophobicContact CD1-CE1 3.81Å; Y91-F182 AromaticContact CD1-CE2 3.92Å; Y91-F182 HydrophobicContact CD1-CE2 3.92Å; Y91-F182 AromaticContact CD1-CZ 3.34Å; Y91-F182 HydrophobicContact CD1-CZ 3.34Å; Y91-F182 HydrophobicContact CD2-CE1 4.15Å; Y91-F182 HydrophobicContact CD2-CZ 4.48Å; Y91-F182 HydrophobicContact CE1-CE1 4.4Å; Y91-F182 AromaticContact CE1-CE2 3.95Å; Y91-F182 HydrophobicContact CE1-CE2 3.95Å; Y91-F182 AromaticContact CE1-CZ 3.85Å; Y91-F182 HydrophobicContact CE1-CZ 3.85Å; Y91-F182 AromaticContact CG-CE1 3.64Å; Y91-F182 HydrophobicContact CG-CE1 3.64Å; Y91-F182 AromaticContact CG-CZ 3.69Å; Y91-F182 HydrophobicContact CG-CZ 3.69Å; V103-F182 HydrophobicContact CG1-CD1 4.49Å; L105-F182 HydrophobicContact CD1-CB 4.46Å; L105-F182 HydrophobicContact CD1-CD1 4.19Å; L105-F182 HydrophobicContact CD1-CD2 4.45Å; L105-F182 HydrophobicContact CD1-CG 4.09Å; L105-F182 HydrophobicContact CD2-CB 3.78Å; L105-F182 HydrophobicContact CD2-CG 4.31Å; H178-F182 AromaticContact CE1-CD2 3.94Å; H178-F182 AromaticContact CE1-CE2 3.22Å; H178-F182 WeakPolarHBondContact CE1-CE2 3.37Å; H178-F182 AromaticContact CE1-CZ 3.93Å; H178-F182 AromaticContact ND1-CE2 3.8Å; H178-F182 AromaticContact NE2-CD2 3.9Å; H178-F182 AromaticContact NE2-CE2 3.49Å; H178-F182 WeakPolarHBondContact NE2-CE2 3.29Å; H178-F182 VanDerWaalsContact O-CD2 3.3Å; H178-F182 WeakPolarHBondContact O-CD2 3.16Å; H178-F182 PolarHBondContact O-N 2.89Å; I179-F182 PolarHBondContact O-N 2.64Å; K180-F182 VanDerWaalsContact C-N 3.3Å; K180-F182 PolarHBondContact O-N 2.8Å; F182-E184 VanDerWaalsContact C-N 3.26Å; F182-E184 PolarHBondContact O-N 3.22Å; F182-N185 PolarHBondContact O-N 2.97Å; F182-I186 HydrophobicContact CD1-CD1 3.45Å; F182-I186 VanDerWaalsContact CD1-CD1 3.45Å; F182-I186 HydrophobicContact CE1-CD1 3.94Å; F182-I186 HydrophobicContact CG-CD1 4.32Å; F182-I186 WeakPolarHBondContact O-CB 3.36Å; F182-I186 WeakPolarHBondContact O-CG1 3.44Å; F182-I186 PolarHBondContact O-N 3.39Å
183Q96.3Very high96.5Very high107 Ų10761.1 Ų61.150%0.531%0.306SS..Hα-helixtrans-62.9-32.7177.9-67.3176.3-58.200112.6I179 K180 L191 V193I179-Q183 WeakPolarHBondContact O-CG 3.33Å; I179-Q183 PolarHBondContact O-N 3.27Å; I179-Q183 VanDerWaalsContact O-N 3.13Å; K180-Q183 PolarHBondContact O-N 3.34Å; Q183-L191 HydrophobicContact CG-CD2 4.29Å; Q183-V193 HydrophobicContact CG-CG2 3.9Å
184E96.5Very high96.5Very high129 Ų12954.8 Ų54.860%0.60328%0.276SS*.Hα-helixtrans-82.1-29.8178.9-71.2176160.900113.6K180 T181 F182K180-E184 WeakPolarHBondContact CE-OE1 3.2Å; K180-E184 HydrophobicContact CG-CG 4.27Å; K180-E184 IonicContact NZ-OE1 3.78Å; K180-E184 WeakPolarHBondContact O-CB 3.14Å; K180-E184 WeakPolarHBondContact O-CG 3.27Å; K180-E184 PolarHBondContact O-N 3.28Å; T181-E184 PolarHBondContact O-N 3.47Å; F182-E184 VanDerWaalsContact C-N 3.26Å; F182-E184 PolarHBondContact O-N 3.22Å
185N96Very high96.5Very high75 Ų7559 Ų5940%0.40130%0.295SS..Hα-helixtrans-103.2-11.7-171.5-74.2-102000114.2Y91 K92 T181 F182Y91-N185 HydrophobicContact CE2-CB 4.2Å; Y91-N185 WeakPolarHBondContact OH-CB 3.45Å; K92-N185 PolarHBondContact NZ-OD1 3.02Å; T181-N185 VanDerWaalsContact O-CB 3.29Å; T181-N185 WeakPolarHBondContact O-CB 3.43Å; T181-N185 PolarHBondContact O-N 3.18Å; T181-N185 PolarHBondContact O-ND2 3.45Å; F182-N185 PolarHBondContact O-N 2.97Å
186I95.8Very high96.3Very high6 Ų660 Ų603%0.03130%0.302CS..SBendtrans-117125.8-179-53.8-178.4000109Y91 M95 V103 F182 S188 R190 L191Y91-I186 HydrophobicContact CD2-CD1 3.59Å; Y91-I186 HydrophobicContact CD2-CG1 3.88Å; Y91-I186 HydrophobicContact CE2-CD1 3.97Å; Y91-I186 HydrophobicContact CE2-CG1 3.82Å; Y91-I186 HydrophobicContact CG-CD1 4.39Å; M95-I186 HydrophobicContact CE-CG2 3.87Å; M95-I186 HydrophobicContact SD-CD1 4.05Å; M95-I186 HydrophobicContact SD-CG1 4.12Å; M95-I186 HydrophobicContact SD-CG2 4.1Å; V103-I186 HydrophobicContact CB-CD1 4.24Å; V103-I186 HydrophobicContact CG1-CD1 3.85Å; V103-I186 HydrophobicContact CG2-CD1 4.26Å; F182-I186 HydrophobicContact CD1-CD1 3.45Å; F182-I186 VanDerWaalsContact CD1-CD1 3.45Å; F182-I186 HydrophobicContact CE1-CD1 3.94Å; F182-I186 HydrophobicContact CG-CD1 4.32Å; F182-I186 WeakPolarHBondContact O-CB 3.36Å; F182-I186 WeakPolarHBondContact O-CG1 3.44Å; F182-I186 PolarHBondContact O-N 3.39Å; I186-S188 PolarHBondContact O-N 3.2Å; I186-R190 HydrophobicContact CG2-CB 4.24Å; I186-L191 HydrophobicContact CB-CB 4.2Å; I186-L191 HydrophobicContact CB-CD2 4.29Å; I186-L191 HydrophobicContact CD1-CD1 4.35Å; I186-L191 HydrophobicContact CG2-CB 3.77Å
187P95.9Very high96.1Very high59 Ų5960.3 Ų60.338%0.38332%0.32SS..  trans-55.6136.4176.2-23.933.1000111.8E189 R190 L191P187-E189 HydrophobicContact CB-CG 4.36Å; P187-E189 WeakPolarHBondContact CB-OE1 3.14Å; P187-E189 VanDerWaalsContact CB-OE2 3.27Å; P187-E189 WeakPolarHBondContact CB-OE2 3.12Å; P187-E189 PolarHBondContact O-N 3.36Å; P187-E189 VanDerWaalsContact O-N 3.12Å; P187-R190 WeakPolarHBondContact O-CA 3.25Å; P187-R190 PolarHBondContact O-N 3.19Å; P187-L191 PolarHBondContact O-N 3.19Å
188S95.4Very high96.1Very high102 Ų10259.3 Ų59.371%0.71332%0.32SS*.G310 helixtrans-57.7-29.5-173.259.10000114I186 R190 L191I186-S188 PolarHBondContact O-N 3.2Å; S188-R190 PolarHBondContact O-N 3.36Å; S188-L191 PolarHBondContact O-N 3.05Å
189E96.2Very high96.2Very high133 Ų13359.6 Ų59.662%0.62132%0.324SS*.G310 helixtrans-70.2-20.2176.266.9-83.7-165.400113.4P187P187-E189 HydrophobicContact CB-CG 4.36Å; P187-E189 WeakPolarHBondContact CB-OE1 3.14Å; P187-E189 VanDerWaalsContact CB-OE2 3.27Å; P187-E189 WeakPolarHBondContact CB-OE2 3.12Å; P187-E189 PolarHBondContact O-N 3.36Å; P187-E189 VanDerWaalsContact O-N 3.12Å
190R96.2Very high96.3Very high58 Ų5859.4 Ų59.422%0.21932%0.322CS..G310 helixtrans-104.9-3.1175.2-72.2-16870.3-177.30.9113.3Y98 P99 A101 V103 I186 P187 S188Y98-R190 PolarHBondContact O-NH2 2.95Å; P99-R190 PolarHBondContact O-NH1 3.4Å; P99-R190 PolarHBondContact O-NH2 3.15Å; A101-R190 PolarHBondContact O-NE 3.4Å; A101-R190 PolarHBondContact O-NH2 3.31Å; V103-R190 PolarHBondContact N-O 3.46Å; I186-R190 HydrophobicContact CG2-CB 4.24Å; P187-R190 WeakPolarHBondContact O-CA 3.25Å; P187-R190 PolarHBondContact O-N 3.19Å; S188-R190 PolarHBondContact O-N 3.36Å
191L97.7Very high96.4Very high19 Ų1960.6 Ų60.610%0.09933%0.329CS..EExtended strand (participates in β ladder)trans-120126.7-177.3-179.163.2000112V103 L105 Q183 I186 P187 S188 V193V103-L191 HydrophobicContact CB-CD1 4.21Å; V103-L191 HydrophobicContact CG1-CD1 3.92Å; V103-L191 WeakPolarHBondContact O-CA 3.4Å; L105-L191 HydrophobicContact CB-CD1 3.97Å; Q183-L191 HydrophobicContact CG-CD2 4.29Å; I186-L191 HydrophobicContact CB-CB 4.2Å; I186-L191 HydrophobicContact CB-CD2 4.29Å; I186-L191 HydrophobicContact CD1-CD1 4.35Å; I186-L191 HydrophobicContact CG2-CB 3.77Å; P187-L191 PolarHBondContact O-N 3.19Å; S188-L191 PolarHBondContact O-N 3.05Å; L191-V193 HydrophobicContact CD2-CG2 4.15Å; L191-V193 HydrophobicContact CG-CG2 4.3Å
192L98Very high96.5Very high29 Ų2961.9 Ų61.915%0.15234%0.338CS..EExtended strand (participates in β ladder)trans-109.3116.7162.3-179.770.4000109.7V103 V104 L105 Y194 L203 F206V103-L192 PolarHBondContact O-N 2.97Å; V104-L192 CarbonylContact C-O 3.58Å; V104-L192 WeakPolarHBondContact CA-O 3.33Å; V104-L192 HydrophobicContact CG1-CD2 4.46Å; V104-L192 HydrophobicContact CG2-CB 4.45Å; L105-L192 PolarHBondContact N-O 3.43Å; L192-Y194 HydrophobicContact CD2-CD2 3.81Å; L192-Y194 HydrophobicContact CD2-CG 4.12Å; L192-Y194 HydrophobicContact CG-CD2 4.45Å; L192-L203 HydrophobicContact CD2-CD1 4.26Å; L192-F206 HydrophobicContact CB-CB 4.33Å; L192-F206 HydrophobicContact CB-CD1 3.45Å; L192-F206 VanDerWaalsContact CB-CD1 3.45Å; L192-F206 HydrophobicContact CB-CD2 3.94Å; L192-F206 HydrophobicContact CB-CE1 3.53Å; L192-F206 HydrophobicContact CB-CE2 4.04Å; L192-F206 HydrophobicContact CB-CG 3.64Å; L192-F206 HydrophobicContact CB-CZ 3.84Å; L192-F206 HydrophobicContact CD1-CB 4.24Å; L192-F206 HydrophobicContact CD1-CG 4.35Å; L192-F206 HydrophobicContact CD2-CB 3.85Å; L192-F206 HydrophobicContact CD2-CD1 3.87Å; L192-F206 HydrophobicContact CD2-CG 4.01Å; L192-F206 HydrophobicContact CG-CB 4.36Å; L192-F206 HydrophobicContact CG-CD1 4.22Å; L192-F206 HydrophobicContact CG-CG 4.2Å
193V97.7Very high96.7Very high56 Ų5661.7 Ų61.734%0.33934%0.337SS..EExtended strand (participates in β ladder)trans-83.1117.8164.5-176.70000107.5L105 V107 Q183 L191L105-V193 HydrophobicContact CD2-CG2 4.3Å; V107-V193 HydrophobicContact CG1-CG1 3.93Å; V107-V193 HydrophobicContact CG2-CG1 3.72Å; Q183-V193 HydrophobicContact CG-CG2 3.9Å; L191-V193 HydrophobicContact CD2-CG2 4.15Å; L191-V193 HydrophobicContact CG-CG2 4.3Å
194Y97.7Very high96.8Very high1 Ų156.7 Ų56.70%0.00431%0.314CS..EExtended strand (participates in β ladder)trans-131.2128.1-161-176.6-112.9000112M23 V104 L105 T106 V107 L192 V196 D198 G199 P202 L203 F217M23-Y194 HydrophobicContact CE-CE1 4.42Å; M23-Y194 HydrophobicContact SD-CD1 3.75Å; M23-Y194 HydrophobicContact SD-CE1 3.42Å; M23-Y194 WeakPolarHBondContact SD-CE1 3.3Å; V104-Y194 HydrophobicContact CG1-CD1 4.23Å; V104-Y194 HydrophobicContact CG1-CG 4.21Å; L105-Y194 PolarHBondContact O-N 3.17Å; T106-Y194 CarbonylContact C-O 3.5Å; T106-Y194 VanDerWaalsContact CA-O 3.27Å; T106-Y194 WeakPolarHBondContact CA-O 3.41Å; T106-Y194 HydrophobicContact CG2-CD1 4Å; V107-Y194 PolarHBondContact N-O 3.47Å; L192-Y194 HydrophobicContact CD2-CD2 3.81Å; L192-Y194 HydrophobicContact CD2-CG 4.12Å; L192-Y194 HydrophobicContact CG-CD2 4.45Å; Y194-V196 HydrophobicContact CD1-CG2 4.3Å; Y194-V196 HydrophobicContact CE1-CB 4.45Å; Y194-V196 HydrophobicContact CE1-CG2 4.09Å; Y194-D198 HydrophobicContact CE2-CB 4.08Å; Y194-G199 PolarHBondContact OH-N 2.93Å; Y194-G199 PolarHBondContact OH-O 3.32Å; Y194-P202 HydrophobicContact CE2-CG 4.05Å; Y194-L203 HydrophobicContact CE2-CB 3.96Å; Y194-F217 HydrophobicContact CE1-CZ 4.23Å; Y194-F217 WeakPolarHBondContact OH-CE2 3.26Å; Y194-F217 WeakPolarHBondContact OH-CZ 3.44Å
195Q96.8Very high96.8Very high96 Ų9658.5 Ų58.545%0.44932%0.32SS..EExtended strand (participates in β ladder)trans-94.9128.8164.7-65.4-175.984.700108.7V107 A197 D198V107-Q195 HydrophobicContact CG2-CG 3.94Å; Q195-A197 PolarHBondContact O-N 3.46Å; Q195-D198 PolarHBondContact N-OD2 2.98Å; Q195-D198 VanDerWaalsContact O-CB 3.24Å; Q195-D198 WeakPolarHBondContact O-CB 3.38Å; Q195-D198 VanDerWaalsContact O-CG 3.31Å; Q195-D198 PolarHBondContact O-N 3.32Å
196V93.1Very high97Very high27 Ų2756.4 Ų56.416%0.16431%0.307CS..G310 helixtrans-60.8-22.8-178.2175.60000112.5T18 T22 M23 T106 Y194 D198 G199 F217T18-V196 WeakPolarHBondContact O-CG2 3.46Å; T22-V196 HydrophobicContact CG2-CG1 3.34Å; M23-V196 HydrophobicContact CG-CG2 4.23Å; M23-V196 HydrophobicContact SD-CG2 4.37Å; T106-V196 HydrophobicContact CG2-CG2 3.78Å; Y194-V196 HydrophobicContact CD1-CG2 4.3Å; Y194-V196 HydrophobicContact CE1-CB 4.45Å; Y194-V196 HydrophobicContact CE1-CG2 4.09Å; V196-D198 PolarHBondContact O-N 3.17Å; V196-G199 PolarHBondContact O-N 3.12Å; V196-F217 HydrophobicContact CG1-CE1 3.76Å; V196-F217 HydrophobicContact CG1-CZ 4.45Å; V196-F217 WeakPolarHBondContact O-CE1 3.21Å
197A93.8Very high97Very high98 Ų9856.7 Ų56.781%0.8131%0.308SS*.G310 helixtrans-67-19.3172.800000113.9Q195 G199Q195-A197 PolarHBondContact O-N 3.46Å; A197-G199 PolarHBondContact O-N 2.82Å
198D96.5Very high97.1Very high81 Ų8160.2 Ų60.243%0.43332%0.324SS..G310 helixtrans-74.1-13.3-178.8-58.5-25.5000112.7Y194 Q195 V196 P202Y194-D198 HydrophobicContact CE2-CB 4.08Å; Q195-D198 PolarHBondContact N-OD2 2.98Å; Q195-D198 VanDerWaalsContact O-CB 3.24Å; Q195-D198 WeakPolarHBondContact O-CB 3.38Å; Q195-D198 VanDerWaalsContact O-CG 3.31Å; Q195-D198 PolarHBondContact O-N 3.32Å; V196-D198 PolarHBondContact O-N 3.17Å; D198-P202 HydrophobicContact CB-CG 3.62Å
199G97.4Very high97.2Very high12 Ų1257.5 Ų57.512%0.12430%0.303CS..  trans68.5-156.8171.900000114.6Y194 V196 A197 E201Y194-G199 PolarHBondContact OH-N 2.93Å; Y194-G199 PolarHBondContact OH-O 3.32Å; V196-G199 PolarHBondContact O-N 3.12Å; A197-G199 PolarHBondContact O-N 2.82Å; G199-E201 PolarHBondContact O-N 3.38Å
200W98.5Very high97.3Very high22 Ų2258.3 Ų58.38%0.08331%0.312CS..Hα-helixtrans-64.5-39.6-168.8-75.2126.5000114.6A26 I29 L30 L203 C204 I211 P212 I215 F217A26-W200 HydrophobicContact CB-CH2 3.91Å; A26-W200 HydrophobicContact CB-CZ3 3.84Å; I29-W200 HydrophobicContact CB-CH2 4.09Å; I29-W200 HydrophobicContact CD1-CH2 4.28Å; I29-W200 HydrophobicContact CD1-CZ2 4.29Å; I29-W200 HydrophobicContact CG2-CH2 3.94Å; I29-W200 HydrophobicContact CG2-CZ2 4.14Å; L30-W200 HydrophobicContact CD1-CE3 4.35Å; L30-W200 HydrophobicContact CD1-CZ3 3.77Å; L30-W200 HydrophobicContact CD2-CE3 4.13Å; L30-W200 HydrophobicContact CD2-CH2 4.45Å; L30-W200 HydrophobicContact CD2-CZ3 3.77Å; L30-W200 HydrophobicContact CG-CE3 4.36Å; L30-W200 HydrophobicContact CG-CH2 4.23Å; L30-W200 HydrophobicContact CG-CZ3 3.59Å; W200-L203 PolarHBondContact O-N 3.45Å; W200-C204 WeakPolarHBondContact O-CB 3.29Å; W200-C204 PolarHBondContact O-N 3.08Å; W200-C204 PolarHBondContact O-SG 3.24Å; W200-I211 HydrophobicContact CB-CD1 4.41Å; W200-I211 HydrophobicContact CB-CG1 4.2Å; W200-I211 HydrophobicContact CB-CG2 3.79Å; W200-I211 HydrophobicContact CG-CG2 3.97Å; W200-P212 HydrophobicContact CD2-CG 4.47Å; W200-P212 HydrophobicContact CH2-CG 4.14Å; W200-P212 HydrophobicContact CZ2-CG 4.06Å; W200-P212 HydrophobicContact CZ3-CG 4.38Å; W200-I215 HydrophobicContact CZ2-CG2 4.41Å; W200-I215 PolarHBondContact NE1-O 3.24Å; W200-F217 HydrophobicContact CB-CD2 4.45Å; W200-F217 HydrophobicContact CD2-CB 4.43Å; W200-F217 AromaticContact CD2-CD2 3.48Å; W200-F217 HydrophobicContact CD2-CD2 3.48Å; W200-F217 VanDerWaalsContact CD2-CD2 3.48Å; W200-F217 HydrophobicContact CD2-CE2 4.24Å; W200-F217 HydrophobicContact CD2-CG 4.43Å; W200-F217 AromaticContact CE2-CD2 3.78Å; W200-F217 AromaticContact CE3-CD2 3.64Å; W200-F217 HydrophobicContact CE3-CD2 3.64Å; W200-F217 AromaticContact CE3-CE2 3.92Å; W200-F217 HydrophobicContact CE3-CE2 3.92Å; W200-F217 HydrophobicContact CG-CB 4.28Å; W200-F217 AromaticContact CG-CD2 3.83Å; W200-F217 HydrophobicContact CG-CD2 3.83Å; W200-F217 HydrophobicContact CH2-CD2 4.34Å; W200-F217 HydrophobicContact CZ2-CD2 4.22Å; W200-F217 HydrophobicContact CZ3-CD2 4.06Å; W200-F217 HydrophobicContact CZ3-CE2 4.13Å; W200-F217 VanDerWaalsContact NE1-N 3.19Å
201E98Very high97.4Very high143 Ų14359.8 Ų59.867%0.66832%0.323SS*.Hα-helixtrans-60.5-57-162.8-179.6177.5179.500113.7G199 L203 C204 K205 I211G199-E201 PolarHBondContact O-N 3.38Å; E201-L203 VanDerWaalsContact C-N 3.28Å; E201-L203 PolarHBondContact O-N 3.01Å; E201-C204 PolarHBondContact O-N 3.44Å; E201-K205 VanDerWaalsContact O-CB 3.24Å; E201-K205 WeakPolarHBondContact O-CB 3.49Å; E201-K205 PolarHBondContact O-N 2.95Å; E201-I211 HydrophobicContact CB-CD1 4.27Å
202P98.2Very high97.3Very high43 Ų4360 Ų6028%0.27933%0.326SS..Hα-helixtrans-64.5-33.9179.213.3-18.6000112.8Y194 D198 F206Y194-P202 HydrophobicContact CE2-CG 4.05Å; D198-P202 HydrophobicContact CB-CG 3.62Å; P202-F206 VanDerWaalsContact O-CB 3.28Å; P202-F206 WeakPolarHBondContact O-CB 3.33Å; P202-F206 PolarHBondContact O-N 3.15Å
203L98.4Very high97.2Very high0 Ų062.6 Ų62.60%035%0.351CS..Hα-helixtrans-66.5-52.4178.2-178.963000111.7M23 A26 L30 V104 L192 Y194 W200 E201 F206 L207 F217M23-L203 HydrophobicContact CE-CD1 3.83Å; M23-L203 HydrophobicContact CE-CD2 3.8Å; M23-L203 HydrophobicContact CE-CG 4.49Å; M23-L203 HydrophobicContact SD-CD2 4.4Å; A26-L203 HydrophobicContact CB-CD2 4.32Å; L30-L203 HydrophobicContact CD1-CD2 4.13Å; L30-L203 HydrophobicContact CD1-CG 4.42Å; V104-L203 HydrophobicContact CG2-CD1 4.18Å; L192-L203 HydrophobicContact CD2-CD1 4.26Å; Y194-L203 HydrophobicContact CE2-CB 3.96Å; W200-L203 PolarHBondContact O-N 3.45Å; E201-L203 VanDerWaalsContact C-N 3.28Å; E201-L203 PolarHBondContact O-N 3.01Å; L203-F206 PolarHBondContact O-N 3.4Å; L203-L207 HydrophobicContact CD1-CD1 3.71Å; L203-L207 HydrophobicContact CD1-CG 4.14Å; L203-L207 HydrophobicContact CG-CD1 3.95Å; L203-L207 WeakPolarHBondContact O-CB 3.31Å; L203-L207 VanDerWaalsContact O-CG 3.3Å; L203-L207 WeakPolarHBondContact O-CG 3.33Å; L203-L207 PolarHBondContact O-N 2.7Å; L203-F217 HydrophobicContact CD2-CE2 4.05Å
204C98.5Very high97.1Very high2 Ų268.2 Ų68.21%0.01438%0.379CS..Hα-helixtrans-65.5-41.7-177.6-62.80000111.1W200 E201 F206 L207 N208 V209 I211W200-C204 WeakPolarHBondContact O-CB 3.29Å; W200-C204 PolarHBondContact O-N 3.08Å; W200-C204 PolarHBondContact O-SG 3.24Å; E201-C204 PolarHBondContact O-N 3.44Å; C204-F206 PolarHBondContact O-N 2.7Å; C204-L207 CarbonylContact O-C 3.56Å; C204-L207 PolarHBondContact O-N 3.08Å; C204-N208 PolarHBondContact O-N 3.47Å; C204-V209 HydrophobicContact CB-CG2 4.14Å; C204-V209 WeakPolarHBondContact CB-O 3.44Å; C204-V209 PolarHBondContact O-N 3.4Å; C204-V209 VanDerWaalsContact O-N 3.11Å; C204-I211 HydrophobicContact CB-CG1 3.82Å
205K98.2Very high97Very high167 Ų16772 Ų7273%0.72640%0.398SS*.Hα-helixtrans-57.3-48.5173.2-179.4178.8179.7178.10111.5E201 L207 N208E201-K205 VanDerWaalsContact O-CB 3.24Å; E201-K205 WeakPolarHBondContact O-CB 3.49Å; E201-K205 PolarHBondContact O-N 2.95Å; K205-L207 VanDerWaalsContact C-N 3.34Å; K205-L207 PolarHBondContact O-N 2.9Å; K205-N208 PolarHBondContact O-N 3.39Å; K205-N208 PolarHBondContact O-OD1 3.45Å
206F98.3Very high97Very high31 Ų3173.4 Ų73.414%0.13641%0.414CS..Hα-helixtrans-65.1-38.9178.9174.2-111.9000112.1K102 V104 L192 P202 L203 C204 N208K102-F206 HydrophobicContact CB-CE1 3.62Å; K102-F206 HydrophobicContact CB-CZ 3.81Å; K102-F206 HydrophobicContact CD-CD1 4.32Å; K102-F206 HydrophobicContact CD-CE1 3.99Å; K102-F206 HydrophobicContact CD-CE2 4.39Å; K102-F206 HydrophobicContact CD-CZ 4.01Å; K102-F206 WeakPolarHBondContact CD-O 3.29Å; K102-F206 WeakPolarHBondContact CE-O 3.42Å; K102-F206 HydrophobicContact CG-CE1 4.26Å; K102-F206 HydrophobicContact CG-CZ 4.14Å; K102-F206 PolarHBondContact NZ-O 3.4Å; V104-F206 HydrophobicContact CG2-CD1 4.27Å; V104-F206 HydrophobicContact CG2-CE1 4.03Å; L192-F206 HydrophobicContact CB-CB 4.33Å; L192-F206 HydrophobicContact CB-CD1 3.45Å; L192-F206 VanDerWaalsContact CB-CD1 3.45Å; L192-F206 HydrophobicContact CB-CD2 3.94Å; L192-F206 HydrophobicContact CB-CE1 3.53Å; L192-F206 HydrophobicContact CB-CE2 4.04Å; L192-F206 HydrophobicContact CB-CG 3.64Å; L192-F206 HydrophobicContact CB-CZ 3.84Å; L192-F206 HydrophobicContact CD1-CB 4.24Å; L192-F206 HydrophobicContact CD1-CG 4.35Å; L192-F206 HydrophobicContact CD2-CB 3.85Å; L192-F206 HydrophobicContact CD2-CD1 3.87Å; L192-F206 HydrophobicContact CD2-CG 4.01Å; L192-F206 HydrophobicContact CG-CB 4.36Å; L192-F206 HydrophobicContact CG-CD1 4.22Å; L192-F206 HydrophobicContact CG-CG 4.2Å; P202-F206 VanDerWaalsContact O-CB 3.28Å; P202-F206 WeakPolarHBondContact O-CB 3.33Å; P202-F206 PolarHBondContact O-N 3.15Å; L203-F206 PolarHBondContact O-N 3.4Å; C204-F206 PolarHBondContact O-N 2.7Å; F206-N208 VanDerWaalsContact C-N 3.29Å; F206-N208 PolarHBondContact O-N 3.07Å
207L97.5Very high97.2Very high11 Ų1173.5 Ų73.56%0.05841%0.412CS..Hα-helixtrans-79.3-8.8-179.2-67-179.7000113.7V10 L27 L30 Y31 K102 L203 C204 K205 V209V10-L207 HydrophobicContact CG1-CD2 4.39Å; V10-L207 HydrophobicContact CG2-CD1 4.19Å; V10-L207 HydrophobicContact CG2-CD2 3.59Å; L27-L207 HydrophobicContact CD2-CD1 3.94Å; L30-L207 HydrophobicContact CD1-CD1 4.01Å; Y31-L207 HydrophobicContact CE2-CD1 4.17Å; K102-L207 HydrophobicContact CB-CD2 4.17Å; K102-L207 HydrophobicContact CD-CD2 4.15Å; L203-L207 HydrophobicContact CD1-CD1 3.71Å; L203-L207 HydrophobicContact CD1-CG 4.14Å; L203-L207 HydrophobicContact CG-CD1 3.95Å; L203-L207 WeakPolarHBondContact O-CB 3.31Å; L203-L207 VanDerWaalsContact O-CG 3.3Å; L203-L207 WeakPolarHBondContact O-CG 3.33Å; L203-L207 PolarHBondContact O-N 2.7Å; C204-L207 CarbonylContact O-C 3.56Å; C204-L207 PolarHBondContact O-N 3.08Å; K205-L207 VanDerWaalsContact C-N 3.34Å; K205-L207 PolarHBondContact O-N 2.9Å; L207-V209 HydrophobicContact CB-CG2 3.99Å
208N97.1Very high97.2Very high134 Ų13469.6 Ų69.672%0.71738%0.379SS*.THydrogen-bonded Turntrans57.247.2-173.9-59-35.6000112.4K102 C204 K205 F206K102-N208 PolarHBondContact NZ-ND2 2.94Å; C204-N208 PolarHBondContact O-N 3.47Å; K205-N208 PolarHBondContact O-N 3.39Å; K205-N208 PolarHBondContact O-OD1 3.45Å; F206-N208 VanDerWaalsContact C-N 3.29Å; F206-N208 PolarHBondContact O-N 3.07Å
209V97.4Very high97Very high44 Ų4470.8 Ų70.827%0.26739%0.389SS..  trans-128.3158.2176-61.60000109.9L30 Y31 C204 L207L30-V209 HydrophobicContact CD1-CG2 4.29Å; L30-V209 HydrophobicContact CD2-CG2 3.95Å; Y31-V209 HydrophobicContact CE1-CG1 4.18Å; C204-V209 HydrophobicContact CB-CG2 4.14Å; C204-V209 WeakPolarHBondContact CB-O 3.44Å; C204-V209 PolarHBondContact O-N 3.4Å; C204-V209 VanDerWaalsContact O-N 3.11Å; L207-V209 HydrophobicContact CB-CG2 3.99Å
210D97.7Very high96.6Very high150 Ų15070.7 Ų70.780%0.80239%0.387SS*.PPolyproline II helixtrans-72.4147.8176.3-65-39.8000111.4
211I98.1Very high96.1Very high90 Ų9070.8 Ų70.846%0.46239%0.389SS..PPolyproline II helixtrans-67.3128.3170.7-63.4176000108.3W200 E201 C204 A213W200-I211 HydrophobicContact CB-CD1 4.41Å; W200-I211 HydrophobicContact CB-CG1 4.2Å; W200-I211 HydrophobicContact CB-CG2 3.79Å; W200-I211 HydrophobicContact CG-CG2 3.97Å; E201-I211 HydrophobicContact CB-CD1 4.27Å; C204-I211 HydrophobicContact CB-CG1 3.82Å; I211-A213 PolarHBondContact O-N 3.01Å
212P97.5Very high95.6Very high24 Ų2468.7 Ų68.716%0.15638%0.379CS..PPolyproline II helixtrans-57.9121.4179.2-27.736.3000112.6I29 L30 W200 N214 I215I29-P212 HydrophobicContact CG2-CB 4.12Å; I29-P212 HydrophobicContact CG2-CG 3.83Å; L30-P212 HydrophobicContact CD2-CG 3.61Å; W200-P212 HydrophobicContact CD2-CG 4.47Å; W200-P212 HydrophobicContact CH2-CG 4.14Å; W200-P212 HydrophobicContact CZ2-CG 4.06Å; W200-P212 HydrophobicContact CZ3-CG 4.38Å; P212-N214 PolarHBondContact O-N 2.98Å; P212-I215 HydrophobicContact CB-CB 4.06Å; P212-I215 HydrophobicContact CB-CD1 4.12Å; P212-I215 HydrophobicContact CB-CG1 4.42Å
213A95.7Very high94.8Very high82 Ų8271 Ų7168%0.67839%0.386SS*.THydrogen-bonded Turntrans-64.1131.9178.800000111.1I211 I215I211-A213 PolarHBondContact O-N 3.01Å; A213-I215 PolarHBondContact O-N 3.13Å
214N94.6Very high94.3Very high174 Ų17474.7 Ų74.793%0.9341%0.411SS*.THydrogen-bonded Turntrans60.719.6176.1-51.3-49.9000115.9P212P212-N214 PolarHBondContact O-N 2.98Å
215I96.3Very high93.8Very high80 Ų8077.1 Ų77.141%0.4142%0.424SS..  trans-117.8115.5175.5-57.9176000108.9I29 W200 P212 A213I29-I215 HydrophobicContact CD1-CG2 4.15Å; I29-I215 HydrophobicContact CG2-CD1 4.06Å; I29-I215 HydrophobicContact CG2-CG2 4.3Å; W200-I215 HydrophobicContact CZ2-CG2 4.41Å; W200-I215 PolarHBondContact NE1-O 3.24Å; P212-I215 HydrophobicContact CB-CB 4.06Å; P212-I215 HydrophobicContact CB-CD1 4.12Å; P212-I215 HydrophobicContact CB-CG1 4.42Å; A213-I215 PolarHBondContact O-N 3.13Å
216T96.1Very high93.3Very high126 Ų12669.9 Ų69.977%0.77339%0.393SS*.PPolyproline II helixtrans-65.7147.1173.153.90000110.5
217F97.1Very high92.9Very high30 Ų3073.5 Ų73.513%0.13241%0.411CS..PPolyproline II helixtrans-56.6131.4175.8-169.2-97.7000109.7T22 M23 A26 Y194 V196 W200 L203T22-F217 HydrophobicContact CG2-CD1 4.07Å; T22-F217 HydrophobicContact CG2-CE1 3.35Å; T22-F217 HydrophobicContact CG2-CZ 3.97Å; M23-F217 HydrophobicContact SD-CZ 4.45Å; A26-F217 HydrophobicContact CB-CE2 3.87Å; A26-F217 HydrophobicContact CB-CZ 4.11Å; Y194-F217 HydrophobicContact CE1-CZ 4.23Å; Y194-F217 WeakPolarHBondContact OH-CE2 3.26Å; Y194-F217 WeakPolarHBondContact OH-CZ 3.44Å; V196-F217 HydrophobicContact CG1-CE1 3.76Å; V196-F217 HydrophobicContact CG1-CZ 4.45Å; V196-F217 WeakPolarHBondContact O-CE1 3.21Å; W200-F217 HydrophobicContact CB-CD2 4.45Å; W200-F217 HydrophobicContact CD2-CB 4.43Å; W200-F217 AromaticContact CD2-CD2 3.48Å; W200-F217 HydrophobicContact CD2-CD2 3.48Å; W200-F217 VanDerWaalsContact CD2-CD2 3.48Å; W200-F217 HydrophobicContact CD2-CE2 4.24Å; W200-F217 HydrophobicContact CD2-CG 4.43Å; W200-F217 AromaticContact CE2-CD2 3.78Å; W200-F217 AromaticContact CE3-CD2 3.64Å; W200-F217 HydrophobicContact CE3-CD2 3.64Å; W200-F217 AromaticContact CE3-CE2 3.92Å; W200-F217 HydrophobicContact CE3-CE2 3.92Å; W200-F217 HydrophobicContact CG-CB 4.28Å; W200-F217 AromaticContact CG-CD2 3.83Å; W200-F217 HydrophobicContact CG-CD2 3.83Å; W200-F217 HydrophobicContact CH2-CD2 4.34Å; W200-F217 HydrophobicContact CZ2-CD2 4.22Å; W200-F217 HydrophobicContact CZ3-CD2 4.06Å; W200-F217 HydrophobicContact CZ3-CE2 4.13Å; W200-F217 VanDerWaalsContact NE1-N 3.19Å; L203-F217 HydrophobicContact CD2-CE2 4.05Å
218P94.8Very high92.6Very high16 Ų1678 Ų7810%0.10443%0.43CS..PPolyproline II helixtrans-63.2152.3-174.622.2-30000110.9T22 K25 A26 I29T22-P218 HydrophobicContact CG2-CB 4.44Å; T22-P218 HydrophobicContact CG2-CG 4.12Å; T22-P218 WeakPolarHBondContact CG2-O 3.36Å; K25-P218 HydrophobicContact CB-CB 3.88Å; K25-P218 HydrophobicContact CB-CG 3.97Å; A26-P218 HydrophobicContact CB-CG 3.79Å; I29-P218 HydrophobicContact CD1-CG 4.26Å
219V91.8Very high92.4Very high106 Ų10672.5 Ų72.564%0.64240%0.4SS*.  trans-137116.7176.6177.10000105.9H222V219-H222 VanDerWaalsContact CG1-CD2 3.47Å; V219-H222 WeakPolarHBondContact CG1-CD2 2.76Å; V219-H222 WeakPolarHBondContact CG1-NE2 3.18Å
220A89.8Confident92.1Very high10 Ų1076.4 Ų76.48%0.08341%0.41CS..  trans-148.1160.8-17000000112.4T21 T22 K25 H222T21-A220 HydrophobicContact CG2-CB 3.98Å; T22-A220 PolarHBondContact OG1-N 2.79Å; K25-A220 HydrophobicContact CD-CB 4.05Å; A220-H222 VanDerWaalsContact C-N 3.34Å
221N87.2Confident91.9Very high24 Ų2473.4 Ų73.413%0.12839%0.391CS..  trans67.334176.3-159.2-5.2000113.1R17 T21 D225 L226R17-N221 VanDerWaalsContact NH1-CG 3.31Å; R17-N221 PolarHBondContact NH1-ND2 2.86Å; R17-N221 PolarHBondContact NH1-OD1 3.31Å; R17-N221 PolarHBondContact NH2-O 2.72Å; T21-N221 HydrophobicContact CG2-CB 4.13Å; T21-N221 PolarHBondContact OG1-ND2 3.37Å; N221-D225 PolarHBondContact N-OD2 3.1Å; N221-L226 VanDerWaalsContact OD1-CD2 3.3Å; N221-L226 WeakPolarHBondContact OD1-CD2 3.36Å
222H86.7Confident91.8Very high99 Ų9969.8 Ų69.846%0.45837%0.373SS..  trans-75.8168.2166.3-71.8-79.7000111.2V219 A220 S224 D225 L226V219-H222 VanDerWaalsContact CG1-CD2 3.47Å; V219-H222 WeakPolarHBondContact CG1-CD2 2.76Å; V219-H222 WeakPolarHBondContact CG1-NE2 3.18Å; A220-H222 VanDerWaalsContact C-N 3.34Å; H222-S224 PolarHBondContact O-N 2.87Å; H222-D225 PolarHBondContact N-OD2 2.97Å; H222-D225 WeakPolarHBondContact O-CB 3.29Å; H222-D225 PolarHBondContact O-N 2.99Å; H222-L226 PolarHBondContact O-N 3.41Å
223Q82.7Confident91.6Very high92 Ų9269.5 Ų69.543%0.4337%0.371SS..Hα-helixtrans-55.1-37.2178.1-71.4-67-5.100112.3E119 L226 Q227E119-Q223 PolarHBondContact OE2-NE2 3.41Å; Q223-L226 PolarHBondContact O-N 3.1Å; Q223-Q227 WeakPolarHBondContact O-CB 3.17Å; Q223-Q227 PolarHBondContact O-N 3.4Å
224S86.8Confident91.5Very high76 Ų7672.8 Ų72.853%0.53137%0.37SS..Hα-helixtrans-62.4-41.5174.751.90000113H222 Q227 K228H222-S224 PolarHBondContact O-N 2.87Å; S224-Q227 PolarHBondContact O-N 3.24Å; S224-K228 WeakPolarHBondContact O-CB 3.44Å; S224-K228 PolarHBondContact O-N 3.39Å
225D88.6Confident91.4Very high54 Ų5471.7 Ų71.729%0.28936%0.359SS..Hα-helixtrans-66.7-42.5178.4-57-37.9000110.6N221 H222 K228 L229N221-D225 PolarHBondContact N-OD2 3.1Å; H222-D225 PolarHBondContact N-OD2 2.97Å; H222-D225 WeakPolarHBondContact O-CB 3.29Å; H222-D225 PolarHBondContact O-N 2.99Å; D225-K228 PolarHBondContact O-N 3.22Å; D225-L229 WeakPolarHBondContact O-CB 3.13Å; D225-L229 PolarHBondContact O-N 3.4Å
226L88.1Confident91.3Very high14 Ų1469.4 Ų69.47%0.07335%0.35CS..Hα-helixtrans-65.3-38.7177.1-68.2172000112V120 N221 H222 Q223 L229 R230V120-L226 HydrophobicContact CB-CD1 4.2Å; V120-L226 HydrophobicContact CG1-CD1 3.53Å; V120-L226 HydrophobicContact CG1-CD2 4.22Å; V120-L226 HydrophobicContact CG2-CD1 3.53Å; N221-L226 VanDerWaalsContact OD1-CD2 3.3Å; N221-L226 WeakPolarHBondContact OD1-CD2 3.36Å; H222-L226 PolarHBondContact O-N 3.41Å; Q223-L226 PolarHBondContact O-N 3.1Å; L226-L229 PolarHBondContact O-N 3.45Å; L226-R230 VanDerWaalsContact O-CG 3.27Å; L226-R230 WeakPolarHBondContact O-CG 3.41Å; L226-R230 PolarHBondContact O-N 2.91Å
227Q89.5Confident91.2Very high108 Ų10865.7 Ų65.751%0.50534%0.337SS..Hα-helixtrans-62.8-49.6173.7179.8175.3-700110.9Q223 S224 L229 R230 E231Q223-Q227 WeakPolarHBondContact O-CB 3.17Å; Q223-Q227 PolarHBondContact O-N 3.4Å; S224-Q227 PolarHBondContact O-N 3.24Å; Q227-L229 VanDerWaalsContact C-N 3.3Å; Q227-L229 PolarHBondContact O-N 3.05Å; Q227-R230 WeakPolarHBondContact O-CB 3.37Å; Q227-R230 PolarHBondContact O-N 2.75Å; Q227-R230 VanDerWaalsContact O-N 3.12Å; Q227-E231 WeakPolarHBondContact CG-OE1 3.39Å; Q227-E231 PolarHBondContact NE2-OE1 2.91Å; Q227-E231 VanDerWaalsContact NE2-OE1 3.12Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 3.07Å
228K92.1Very high91Very high106 Ų10665.7 Ų65.746%0.46134%0.341SS..Hα-helixtrans-58.1-42.8177.1-173.2177.5-176.7177.40111.8S224 D225 R230 E231 L232 I249S224-K228 WeakPolarHBondContact O-CB 3.44Å; S224-K228 PolarHBondContact O-N 3.39Å; D225-K228 PolarHBondContact O-N 3.22Å; K228-R230 PolarHBondContact O-N 3.09Å; K228-E231 PolarHBondContact O-N 2.81Å; K228-L232 HydrophobicContact CG-CD1 4.17Å; K228-L232 WeakPolarHBondContact O-CG 3.46Å; K228-L232 PolarHBondContact O-N 3.14Å; K228-I249 HydrophobicContact CD-CD1 4.07Å; K228-I249 HydrophobicContact CG-CD1 4.28Å
229L92.3Very high91Very high18 Ų1865.3 Ų65.39%0.09434%0.337CS..Hα-helixtrans-60-45.8175.2178.258.7000111.5Y39 D225 L226 Q227 E231 L232 V233 I239 V242 I249 L250Y39-L229 HydrophobicContact CE1-CD2 4.28Å; D225-L229 WeakPolarHBondContact O-CB 3.13Å; D225-L229 PolarHBondContact O-N 3.4Å; L226-L229 PolarHBondContact O-N 3.45Å; Q227-L229 VanDerWaalsContact C-N 3.3Å; Q227-L229 PolarHBondContact O-N 3.05Å; L229-E231 VanDerWaalsContact C-N 3.3Å; L229-E231 PolarHBondContact O-N 3.38Å; L229-L232 PolarHBondContact O-N 3.49Å; L229-V233 HydrophobicContact CD1-CG2 4.14Å; L229-V233 HydrophobicContact CG-CG2 4.5Å; L229-V233 VanDerWaalsContact O-CG2 3.3Å; L229-V233 WeakPolarHBondContact O-CG2 3.44Å; L229-V233 PolarHBondContact O-N 3.01Å; L229-I239 HydrophobicContact CD1-CD1 4.48Å; L229-I239 HydrophobicContact CD1-CG1 4.41Å; L229-I239 HydrophobicContact CD2-CD1 4.36Å; L229-V242 HydrophobicContact CD1-CG1 3.87Å; L229-I249 HydrophobicContact CB-CG2 4.28Å; L229-I249 HydrophobicContact CD1-CG2 4.3Å; L229-L250 HydrophobicContact CD1-CD2 3.76Å; L229-L250 HydrophobicContact CD1-CG 4.49Å; L229-L250 HydrophobicContact CD2-CD2 3.76Å; L229-L250 HydrophobicContact CG-CD2 4.39Å
230R91.5Very high91.1Very high125 Ų12564.1 Ų64.147%0.47233%0.325SS..Hα-helixtrans-61.5-38.2176.9-71.2170.4-168143.11.6112.3L226 Q227 K228 K234L226-R230 VanDerWaalsContact O-CG 3.27Å; L226-R230 WeakPolarHBondContact O-CG 3.41Å; L226-R230 PolarHBondContact O-N 2.91Å; Q227-R230 WeakPolarHBondContact O-CB 3.37Å; Q227-R230 PolarHBondContact O-N 2.75Å; Q227-R230 VanDerWaalsContact O-N 3.12Å; K228-R230 PolarHBondContact O-N 3.09Å; R230-K234 WeakPolarHBondContact O-CG 3.41Å; R230-K234 PolarHBondContact O-N 3.17Å
231E93.6Very high91.3Very high87 Ų8766.5 Ų66.541%0.40733%0.334SS..Hα-helixtrans-66.7-45.6177.1-72.7169.1-173.100111.3Q227 K228 L229 K234 Q235Q227-E231 WeakPolarHBondContact CG-OE1 3.39Å; Q227-E231 PolarHBondContact NE2-OE1 2.91Å; Q227-E231 VanDerWaalsContact NE2-OE1 3.12Å; Q227-E231 WeakPolarHBondContact O-CG 3.46Å; Q227-E231 PolarHBondContact O-N 3.07Å; K228-E231 PolarHBondContact O-N 2.81Å; L229-E231 VanDerWaalsContact C-N 3.3Å; L229-E231 PolarHBondContact O-N 3.38Å; E231-K234 WeakPolarHBondContact O-CB 3.44Å; E231-K234 PolarHBondContact O-N 3Å; E231-Q235 WeakPolarHBondContact O-CG 3.26Å; E231-Q235 PolarHBondContact O-N 3.38Å; E231-Q235 VanDerWaalsContact O-N 3.15Å
232L94.4Very high91.7Very high15 Ų1565.3 Ų65.38%0.07933%0.328CS..Hα-helixtrans-66.7-38.1177.7-70.8170.7000112.6K228 L229 K234 Q235 C236 V242 H246 I249K228-L232 HydrophobicContact CG-CD1 4.17Å; K228-L232 WeakPolarHBondContact O-CG 3.46Å; K228-L232 PolarHBondContact O-N 3.14Å; L229-L232 PolarHBondContact O-N 3.49Å; L232-K234 PolarHBondContact O-N 3.38Å; L232-Q235 PolarHBondContact O-N 3.34Å; L232-C236 WeakPolarHBondContact O-CB 3.37Å; L232-C236 PolarHBondContact O-N 3.13Å; L232-V242 VanDerWaalsContact C-CG2 3.47Å; L232-V242 HydrophobicContact CB-CG1 3.97Å; L232-V242 HydrophobicContact CB-CG2 3.74Å; L232-V242 HydrophobicContact CD1-CG1 4.21Å; L232-H246 HydrophobicContact CD1-CB 4.36Å; L232-I249 HydrophobicContact CD1-CD1 2.97Å; L232-I249 HydrophobicContact CD1-CG1 4.43Å; L232-I249 HydrophobicContact CG-CD1 4.46Å
233V94.3Very high92Very high18 Ų1861.7 Ų61.711%0.10932%0.315CS..Hα-helixtrans-60.6-37.3174168.10000111A140 L229 Q235 G237 I239 V242A140-V233 HydrophobicContact CB-CG1 3.71Å; L229-V233 HydrophobicContact CD1-CG2 4.14Å; L229-V233 HydrophobicContact CG-CG2 4.5Å; L229-V233 VanDerWaalsContact O-CG2 3.3Å; L229-V233 WeakPolarHBondContact O-CG2 3.44Å; L229-V233 PolarHBondContact O-N 3.01Å; V233-Q235 VanDerWaalsContact C-N 3.31Å; V233-Q235 PolarHBondContact O-N 3.02Å; V233-G237 WeakPolarHBondContact O-CA 3.36Å; V233-G237 PolarHBondContact O-N 2.85Å; V233-I239 HydrophobicContact CG2-CB 4.2Å; V233-V242 HydrophobicContact CB-CG2 4.48Å; V233-V242 HydrophobicContact CG2-CG2 3.9Å
234K92.8Very high92.4Very high151 Ų15165.2 Ų65.266%0.65732%0.324SS*.Hα-helixtrans-66.3-32.8174.4-69.9172-176.1177.50112.6R230 E231 L232R230-K234 WeakPolarHBondContact O-CG 3.41Å; R230-K234 PolarHBondContact O-N 3.17Å; E231-K234 WeakPolarHBondContact O-CB 3.44Å; E231-K234 PolarHBondContact O-N 3Å; L232-K234 PolarHBondContact O-N 3.38Å
235Q94Very high92.7Very high151 Ų15166 Ų6671%0.70632%0.321SS*.Hα-helixtrans-80.6-43.7-179.4-68.9174.1-0.900112.5E231 L232 V233E231-Q235 WeakPolarHBondContact O-CG 3.26Å; E231-Q235 PolarHBondContact O-N 3.38Å; E231-Q235 VanDerWaalsContact O-N 3.15Å; L232-Q235 PolarHBondContact O-N 3.34Å; V233-Q235 VanDerWaalsContact C-N 3.31Å; V233-Q235 PolarHBondContact O-N 3.02Å
236C93.5Very high92.8Very high31 Ų3165.8 Ų65.821%0.20932%0.318CS..Hα-helixtrans-87.4-18.5-176.2-63.70000113.4L232 S238 E241 V242L232-C236 WeakPolarHBondContact O-CB 3.37Å; L232-C236 PolarHBondContact O-N 3.13Å; C236-S238 VanDerWaalsContact C-N 3.33Å; C236-S238 PolarHBondContact O-N 3.28Å; C236-E241 HydrophobicContact CB-CB 3.98Å; C236-E241 HydrophobicContact CB-CG 3.8Å; C236-V242 HydrophobicContact CB-CG2 3.8Å
237G93.2Very high92.7Very high49 Ų4969.2 Ų69.251%0.50534%0.341SS..SBendtrans88.2-21.7177.600000115.4V233V233-G237 WeakPolarHBondContact O-CA 3.36Å; V233-G237 PolarHBondContact O-N 2.85Å
238S93.6Very high92.3Very high30 Ų3069.7 Ų69.721%0.2134%0.343CS..SBendtrans-149.9161.2173.775.20000111.9A140 C236 E240 E241 V242A140-S238 WeakPolarHBondContact O-CA 3.2Å; C236-S238 VanDerWaalsContact C-N 3.33Å; C236-S238 PolarHBondContact O-N 3.28Å; S238-E240 VanDerWaalsContact C-N 3.32Å; S238-E241 PolarHBondContact O-N 3.35Å; S238-E241 WeakPolarHBondContact OG-CB 3.49Å; S238-E241 PolarHBondContact OG-N 3.19Å; S238-E241 VanDerWaalsContact OG-N 3.12Å; S238-V242 WeakPolarHBondContact O-CG2 3.22Å; S238-V242 PolarHBondContact O-N 2.87Å
239I93.9Very high91.7Very high7 Ų765.7 Ų65.74%0.03633%0.327CS..Hα-helixtrans-70.4-28.9174.3-169.9165.4000112.4V42 T43 A140 I142 L229 V233 E241 V242 A243 L250V42-I239 HydrophobicContact CB-CD1 4.42Å; V42-I239 HydrophobicContact CB-CG2 4.18Å; V42-I239 HydrophobicContact CG2-CD1 3.78Å; V42-I239 WeakPolarHBondContact O-CG2 3.41Å; T43-I239 HydrophobicContact CG2-CG1 4.26Å; A140-I239 HydrophobicContact CB-CB 4.31Å; A140-I239 WeakPolarHBondContact O-CG2 3.48Å; A140-I239 PolarHBondContact O-N 3.04Å; I142-I239 HydrophobicContact CG1-CG2 4.12Å; L229-I239 HydrophobicContact CD1-CD1 4.48Å; L229-I239 HydrophobicContact CD1-CG1 4.41Å; L229-I239 HydrophobicContact CD2-CD1 4.36Å; V233-I239 HydrophobicContact CG2-CB 4.2Å; I239-E241 VanDerWaalsContact C-N 3.34Å; I239-V242 PolarHBondContact O-N 2.75Å; I239-A243 PolarHBondContact O-N 2.97Å; I239-L250 HydrophobicContact CG1-CD1 4.2Å
240E94.1Very high91Very high82 Ų8265.6 Ų65.638%0.38333%0.326SS..Hα-helixtrans-63.5-42.4174.5-58.9-171.9156.100110.8Q46 S238 A243 R244Q46-E240 WeakPolarHBondContact CG-OE1 3.49Å; Q46-E240 PolarHBondContact NE2-OE1 2.52Å; S238-E240 VanDerWaalsContact C-N 3.32Å; E240-A243 WeakPolarHBondContact O-CB 3.09Å; E240-A243 PolarHBondContact O-N 3.38Å; E240-R244 PolarHBondContact O-N 3.21Å
241E94.7Very high91Very high59 Ų5962.7 Ų62.728%0.27632%0.319SS..Hα-helixtrans-69.5-35.4177.8-171.864-177.600111.6C236 S238 I239 R244 M245C236-E241 HydrophobicContact CB-CB 3.98Å; C236-E241 HydrophobicContact CB-CG 3.8Å; S238-E241 PolarHBondContact O-N 3.35Å; S238-E241 WeakPolarHBondContact OG-CB 3.49Å; S238-E241 PolarHBondContact OG-N 3.19Å; S238-E241 VanDerWaalsContact OG-N 3.12Å; I239-E241 VanDerWaalsContact C-N 3.34Å; E241-R244 VanDerWaalsContact CD-NE 3.33Å; E241-R244 PolarHBondContact O-N 3.38Å; E241-R244 IonicContact OE1-CZ 2.73Å; E241-R244 VanDerWaalsContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NE 2.63Å; E241-R244 PolarHBondContact OE1-NE 3.4Å; E241-R244 IonicContact OE1-NH2 3.31Å; E241-R244 PolarHBondContact OE1-NH2 3.08Å; E241-R244 IonicContact OE2-CZ 2.74Å; E241-R244 IonicContact OE2-NE 3.82Å; E241-R244 PolarHBondContact OE2-NE 2.68Å; E241-R244 IonicContact OE2-NH2 3.75Å; E241-M245 HydrophobicContact CG-CG 4.5Å; E241-M245 HydrophobicContact CG-SD 4.03Å; E241-M245 WeakPolarHBondContact O-CB 3.41Å; E241-M245 WeakPolarHBondContact O-CG 3.49Å; E241-M245 PolarHBondContact O-N 3.19Å
242V94.5Very high90.8Very high0 Ų061.4 Ų61.40%032%0.315CS..Hα-helixtrans-61.8-43.2169.6177.50000111.2L229 L232 V233 C236 S238 I239 R244 M245 H246L229-V242 HydrophobicContact CD1-CG1 3.87Å; L232-V242 VanDerWaalsContact C-CG2 3.47Å; L232-V242 HydrophobicContact CB-CG1 3.97Å; L232-V242 HydrophobicContact CB-CG2 3.74Å; L232-V242 HydrophobicContact CD1-CG1 4.21Å; V233-V242 HydrophobicContact CB-CG2 4.48Å; V233-V242 HydrophobicContact CG2-CG2 3.9Å; C236-V242 HydrophobicContact CB-CG2 3.8Å; S238-V242 WeakPolarHBondContact O-CG2 3.22Å; S238-V242 PolarHBondContact O-N 2.87Å; I239-V242 PolarHBondContact O-N 2.75Å; V242-R244 VanDerWaalsContact C-N 3.28Å; V242-R244 PolarHBondContact O-N 2.87Å; V242-M245 PolarHBondContact O-N 2.67Å; V242-H246 HydrophobicContact CG1-CB 4.39Å; V242-H246 CarbonylContact O-C 3.59Å; V242-H246 WeakPolarHBondContact O-CA 3.43Å; V242-H246 WeakPolarHBondContact O-CB 3.42Å; V242-H246 PolarHBondContact O-N 2.79Å
243A93.1Very high90.6Very high23 Ų2363.9 Ų63.919%0.1933%0.328CS..Hα-helixtrans-62.6-36.817800000112.1T43 I239 E240 P247 L250T43-A243 HydrophobicContact CG2-CB 3.57Å; I239-A243 PolarHBondContact O-N 2.97Å; E240-A243 WeakPolarHBondContact O-CB 3.09Å; E240-A243 PolarHBondContact O-N 3.38Å; A243-P247 WeakPolarHBondContact O-CA 3.24Å; A243-L250 HydrophobicContact CB-CD1 3.69Å
244R92.9Very high90.4Very high165 Ų16566.6 Ų66.662%0.62334%0.341SS*.Hα-helixtrans-68.4-43.4176.4-167-170.670.973.8-0.7112.5E240 E241 V242E240-R244 PolarHBondContact O-N 3.21Å; E241-R244 VanDerWaalsContact CD-NE 3.33Å; E241-R244 PolarHBondContact O-N 3.38Å; E241-R244 IonicContact OE1-CZ 2.73Å; E241-R244 VanDerWaalsContact OE1-CZ 3.31Å; E241-R244 IonicContact OE1-NE 2.63Å; E241-R244 PolarHBondContact OE1-NE 3.4Å; E241-R244 IonicContact OE1-NH2 3.31Å; E241-R244 PolarHBondContact OE1-NH2 3.08Å; E241-R244 IonicContact OE2-CZ 2.74Å; E241-R244 IonicContact OE2-NE 3.82Å; E241-R244 PolarHBondContact OE2-NE 2.68Å; E241-R244 IonicContact OE2-NH2 3.75Å; V242-R244 VanDerWaalsContact C-N 3.28Å; V242-R244 PolarHBondContact O-N 2.87Å
245M93Very high90.3Very high92 Ų9261.4 Ų61.445%0.45332%0.321SS..Hα-helixtrans-88.5-28.6-174.1-66.2-176.66800113.9E241 V242E241-M245 HydrophobicContact CG-CG 4.5Å; E241-M245 HydrophobicContact CG-SD 4.03Å; E241-M245 WeakPolarHBondContact O-CB 3.41Å; E241-M245 WeakPolarHBondContact O-CG 3.49Å; E241-M245 PolarHBondContact O-N 3.19Å; V242-M245 PolarHBondContact O-N 2.67Å
246H90.2Very high90Very high50 Ų5055.4 Ų55.423%0.23130%0.295CS..  trans-13858.2-172.8-55.8-69.4000112.2L232 V242 Q248 I249L232-H246 HydrophobicContact CD1-CB 4.36Å; V242-H246 HydrophobicContact CG1-CB 4.39Å; V242-H246 CarbonylContact O-C 3.59Å; V242-H246 WeakPolarHBondContact O-CA 3.43Å; V242-H246 WeakPolarHBondContact O-CB 3.42Å; V242-H246 PolarHBondContact O-N 2.79Å; H246-Q248 PolarHBondContact O-N 2.52Å; H246-I249 HydrophobicContact CB-CD1 3.72Å; H246-I249 HydrophobicContact CB-CG1 4.2Å; H246-I249 PolarHBondContact O-N 3Å; H246-I249 VanDerWaalsContact O-N 3.11Å
247P85.6Confident89.8Confident86 Ų8657.1 Ų57.156%0.55830%0.301SS*.G310 helixtrans-57.5-27.1-172.623.4-35.1000114.3A243 I249 L250A243-P247 WeakPolarHBondContact O-CA 3.24Å; P247-I249 PolarHBondContact O-N 3.45Å; P247-L250 PolarHBondContact O-N 3.03Å
248Q81.8Confident89.5Confident118 Ų11857.8 Ų57.855%0.55129%0.286SS*.G310 helixtrans-67-16.4-179.571-78.28.400114.8K25 H246K25-Q248 PolarHBondContact NZ-O 3.41Å; H246-Q248 PolarHBondContact O-N 2.52Å
249I79.7Confident89.2Confident23 Ų2360.1 Ų60.112%0.11829%0.292CS..G310 helixtrans-80.4-26.5-176.8-66.3-179.2000111.7K228 L229 L232 H246 P247K228-I249 HydrophobicContact CD-CD1 4.07Å; K228-I249 HydrophobicContact CG-CD1 4.28Å; L229-I249 HydrophobicContact CB-CG2 4.28Å; L229-I249 HydrophobicContact CD1-CG2 4.3Å; L232-I249 HydrophobicContact CD1-CD1 2.97Å; L232-I249 HydrophobicContact CD1-CG1 4.43Å; L232-I249 HydrophobicContact CG-CD1 4.46Å; H246-I249 HydrophobicContact CB-CD1 3.72Å; H246-I249 HydrophobicContact CB-CG1 4.2Å; H246-I249 PolarHBondContact O-N 3Å; H246-I249 VanDerWaalsContact O-N 3.11Å; P247-I249 PolarHBondContact O-N 3.45Å
250L76.8Confident88.8Confident16 Ų1664.9 Ų64.98%0.08432%0.315CS..  trans-104.90-173.6-61.2175.4000112.6K25 Y39 T43 L229 I239 A243 P247K25-L250 WeakPolarHBondContact CE-O 3.42Å; Y39-L250 HydrophobicContact CD1-CD2 3.81Å; Y39-L250 VanDerWaalsContact CD2-OXT 3.29Å; Y39-L250 WeakPolarHBondContact CD2-OXT 3.5Å; Y39-L250 HydrophobicContact CE1-CD2 3.62Å; Y39-L250 HydrophobicContact CE2-CD2 4.35Å; Y39-L250 HydrophobicContact CG-CB 4.48Å; Y39-L250 HydrophobicContact CG-CD2 4.29Å; T43-L250 HydrophobicContact CG2-CD1 3.49Å; T43-L250 VanDerWaalsContact CG2-CD1 3.49Å; L229-L250 HydrophobicContact CD1-CD2 3.76Å; L229-L250 HydrophobicContact CD1-CG 4.49Å; L229-L250 HydrophobicContact CD2-CD2 3.76Å; L229-L250 HydrophobicContact CG-CD2 4.39Å; I239-L250 HydrophobicContact CG1-CD1 4.2Å; A243-L250 HydrophobicContact CB-CD1 3.69Å; P247-L250 PolarHBondContact O-N 3.03Å

Retrieved 250 of 250 residues in 117.1 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).