A0A096MVW4_PAPAN Loading...

Cyclin-I

AlphaFold DB (A0A2K6QNG1), UniProt , Accession A0A096MVW4, Species PAPAN (Papio anubis, Olive baboon), Gene CCNI, Length 377 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
1M42.3Very low61.8Low190 Ų190123.5 Ų123.594%0.93661%0.605SS**  0119.90-75.8170.2171.900106.9L166M1-L166 HydrophobicContact SD-CD1 4.45Å
2K38.5Very low64Low211 Ų211115.4 Ų115.492%0.91757%0.566SS**  trans-71.8134.2174.8-78.8178.1175.8177.10107.6
3F46.2Very low65.8Low175 Ų175109.8 Ų109.877%0.76855%0.546SS*.  trans-58.9137.7173.8-74.7-88.2000109.5G5F3-G5 PolarHBondContact O-N 3.03Å; F3-G5 VanDerWaalsContact O-N 3.09Å
4P51.2Low67.6Low37 Ų37111.5 Ų111.524%0.2455%0.549CS..  trans-63.6114.6173.824.4-29.8000108.4E8 S160P4-E8 WeakPolarHBondContact CA-OE2 3.31Å; P4-E8 HydrophobicContact CB-CB 4.06Å; P4-E8 WeakPolarHBondContact CB-OE2 3.49Å; P4-S160 WeakPolarHBondContact CG-OG 3.48Å
5G56.7Low69.3Low29 Ų29108.7 Ų108.730%0.29954%0.536SS..  trans-69.3170.3179.800000112.2F3 L7 E8F3-G5 PolarHBondContact O-N 3.03Å; F3-G5 VanDerWaalsContact O-N 3.09Å; G5-L7 PolarHBondContact O-N 3.09Å; G5-E8 PolarHBondContact O-N 3.49Å
6P61.6Low70.7Confident107 Ų107102.2 Ų102.270%0.69550%0.504SS*.Hα-helixtrans-51.5-31.7176.3-25.232.7000113.8N9 Q10P6-N9 PolarHBondContact O-N 2.93Å; P6-Q10 WeakPolarHBondContact O-CG 3.12Å; P6-Q10 PolarHBondContact O-N 3.32Å; P6-Q10 VanDerWaalsContact O-N 3.15Å
7L62.6Low71.9Confident134 Ų134102.6 Ų102.670%0.70251%0.505SS*.Hα-helixtrans-67.6-33.9177.8-64.6170.2000113.2G5 Q10 R11G5-L7 PolarHBondContact O-N 3.09Å; L7-Q10 PolarHBondContact O-N 3.47Å; L7-R11 WeakPolarHBondContact O-CB 3.5Å; L7-R11 PolarHBondContact O-N 3.02Å
8E73.6Confident73.1Confident107 Ų107104.8 Ų104.850%0.551%0.511SS..Hα-helixtrans-71.2-39.3177.6-73-174.5-17600110.9P4 G5 Q10 R11 L12P4-E8 WeakPolarHBondContact CA-OE2 3.31Å; P4-E8 HydrophobicContact CB-CB 4.06Å; P4-E8 WeakPolarHBondContact CB-OE2 3.49Å; G5-E8 PolarHBondContact O-N 3.49Å; E8-Q10 PolarHBondContact O-N 3.15Å; E8-R11 PolarHBondContact O-N 2.87Å; E8-L12 WeakPolarHBondContact O-CB 3.42Å; E8-L12 VanDerWaalsContact O-CG 3.31Å; E8-L12 WeakPolarHBondContact O-CG 3.45Å; E8-L12 PolarHBondContact O-N 2.99Å
9N75.9Confident74Confident60 Ų6099.8 Ų99.832%0.32149%0.489SS..Hα-helixtrans-65-37.3174.5-76.1-30000112.7P6 S13P6-N9 PolarHBondContact O-N 2.93Å; N9-S13 WeakPolarHBondContact O-CB 3Å; N9-S13 PolarHBondContact O-N 3.24Å; N9-S13 PolarHBondContact O-OG 2.98Å
10Q82.8Confident74.9Confident128 Ų12896 Ų9660%0.59847%0.47SS*.Hα-helixtrans-64.7-44.2172.5-75.4177.5-15.900111.4P6 L7 E8 S13 F14P6-Q10 WeakPolarHBondContact O-CG 3.12Å; P6-Q10 PolarHBondContact O-N 3.32Å; P6-Q10 VanDerWaalsContact O-N 3.15Å; L7-Q10 PolarHBondContact O-N 3.47Å; E8-Q10 PolarHBondContact O-N 3.15Å; Q10-S13 PolarHBondContact O-N 3.5Å; Q10-F14 PolarHBondContact O-N 2.79Å
11R88Confident75.7Confident180 Ų18095.1 Ų95.168%0.67947%0.471SS*.Hα-helixtrans-62-44.6176.7-174.3178.6178.8-177.4-0.1112.1L7 E8 S13 F14 L15L7-R11 WeakPolarHBondContact O-CB 3.5Å; L7-R11 PolarHBondContact O-N 3.02Å; E8-R11 PolarHBondContact O-N 2.87Å; R11-S13 VanDerWaalsContact C-N 3.33Å; R11-S13 PolarHBondContact O-N 3.49Å; R11-F14 PolarHBondContact O-N 3.29Å; R11-L15 HydrophobicContact CG-CD1 4.36Å; R11-L15 WeakPolarHBondContact O-CG 3.4Å; R11-L15 PolarHBondContact O-N 2.93Å
12L88.6Confident78Confident27 Ų2789 Ų8914%0.14144%0.437CS..Hα-helixtrans-63.5-39.6177.4-71.3173.1000111.9E8 L15 L16 A156 I157E8-L12 WeakPolarHBondContact O-CB 3.42Å; E8-L12 VanDerWaalsContact O-CG 3.31Å; E8-L12 WeakPolarHBondContact O-CG 3.45Å; E8-L12 PolarHBondContact O-N 2.99Å; L12-L15 PolarHBondContact O-N 3.38Å; L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 PolarHBondContact O-N 2.93Å; L12-A156 HydrophobicContact CD1-CB 3.99Å; L12-A156 HydrophobicContact CD2-CB 3.76Å; L12-I157 HydrophobicContact CB-CD1 4.42Å; L12-I157 HydrophobicContact CB-CG1 3.91Å; L12-I157 HydrophobicContact CD1-CG1 4.02Å; L12-I157 HydrophobicContact CG-CG1 4.48Å
13S87.8Confident80.4Confident43 Ų4379.5 Ų79.530%0.30140%0.396SS..Hα-helixtrans-64.4-42.7176-57.20000111.5N9 Q10 R11 L16 E17N9-S13 WeakPolarHBondContact O-CB 3Å; N9-S13 PolarHBondContact O-N 3.24Å; N9-S13 PolarHBondContact O-OG 2.98Å; Q10-S13 PolarHBondContact O-N 3.5Å; R11-S13 VanDerWaalsContact C-N 3.33Å; R11-S13 PolarHBondContact O-N 3.49Å; S13-L16 WeakPolarHBondContact O-CB 3.49Å; S13-L16 PolarHBondContact O-N 3.33Å; S13-E17 PolarHBondContact O-N 3.06Å
14F90.9Very high82.4Confident133 Ų13373.9 Ų73.958%0.58338%0.382SS*.Hα-helixtrans-63.4-42.1175176.8-99.1000112.6Q10 R11 L16 E17 K18Q10-F14 PolarHBondContact O-N 2.79Å; R11-F14 PolarHBondContact O-N 3.29Å; F14-L16 VanDerWaalsContact C-N 3.32Å; F14-L16 PolarHBondContact O-N 3.5Å; F14-E17 PolarHBondContact O-N 2.94Å; F14-K18 WeakPolarHBondContact O-CB 3.33Å; F14-K18 PolarHBondContact O-N 3.44Å
15L92.2Very high84Confident70 Ų7078.5 Ų78.537%0.36640%0.4SS..Hα-helixtrans-62.4-41.3175.3-72.1173.4000111.5R11 L12 K18 A19 I153R11-L15 HydrophobicContact CG-CD1 4.36Å; R11-L15 WeakPolarHBondContact O-CG 3.4Å; R11-L15 PolarHBondContact O-N 2.93Å; L12-L15 PolarHBondContact O-N 3.38Å; L15-K18 PolarHBondContact O-N 3.42Å; L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 3.19Å; L15-I153 HydrophobicContact CB-CD1 4.2Å; L15-I153 HydrophobicContact CB-CG1 4.48Å
16L92.2Very high85.1Confident4 Ų478.7 Ų78.72%0.02139%0.394CS..Hα-helixtrans-62.4-49.8176.6-176.757.1000111.4L12 S13 F14 K18 A19 I20 F150 I153 F154 I157 K228L12-L16 WeakPolarHBondContact O-CB 3.33Å; L12-L16 PolarHBondContact O-N 2.93Å; S13-L16 WeakPolarHBondContact O-CB 3.49Å; S13-L16 PolarHBondContact O-N 3.33Å; F14-L16 VanDerWaalsContact C-N 3.32Å; F14-L16 PolarHBondContact O-N 3.5Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.03Å; L16-A19 PolarHBondContact O-N 3.43Å; L16-I20 HydrophobicContact CD1-CD1 3.8Å; L16-I20 HydrophobicContact CD1-CG1 4.14Å; L16-I20 HydrophobicContact CD2-CD1 4.47Å; L16-I20 HydrophobicContact CG-CD1 3.67Å; L16-I20 HydrophobicContact CG-CG1 4.44Å; L16-I20 WeakPolarHBondContact O-CD1 3.43Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 2.73Å; L16-F150 HydrophobicContact CD1-CD1 4.07Å; L16-F150 HydrophobicContact CD1-CE1 4.25Å; L16-I153 HydrophobicContact CB-CG2 3.86Å; L16-I153 HydrophobicContact CD1-CG2 4.06Å; L16-I153 HydrophobicContact CG-CG2 4.41Å; L16-F154 HydrophobicContact CD1-CD1 4.38Å; L16-F154 HydrophobicContact CD1-CE1 3.6Å; L16-F154 HydrophobicContact CD1-CZ 4Å; L16-F154 HydrophobicContact CD2-CE1 4.02Å; L16-F154 HydrophobicContact CG-CE1 4.49Å; L16-I157 HydrophobicContact CD2-CD1 4.1Å; L16-K228 HydrophobicContact CD2-CB 4.02Å
17E91.9Very high85.8Confident109 Ų10977 Ų7751%0.50937%0.373SS..Hα-helixtrans-58.3-43.9176.9-89.7-174.6149.500112.3S13 F14 A19 I20 T21S13-E17 PolarHBondContact O-N 3.06Å; F14-E17 PolarHBondContact O-N 2.94Å; E17-A19 PolarHBondContact O-N 3.38Å; E17-I20 PolarHBondContact O-N 3.24Å; E17-T21 WeakPolarHBondContact O-CB 3.31Å; E17-T21 PolarHBondContact O-N 2.69Å; E17-T21 PolarHBondContact O-OG1 3.47Å
18K92.1Very high86Confident142 Ų14277.4 Ų77.462%0.61737%0.37SS*.Hα-helixtrans-61.1-45.1176.7-174.9-179.2177.5-176.40111.2F14 L15 L16 R22F14-K18 WeakPolarHBondContact O-CB 3.33Å; F14-K18 PolarHBondContact O-N 3.44Å; L15-K18 PolarHBondContact O-N 3.42Å; L16-K18 VanDerWaalsContact C-N 3.32Å; L16-K18 PolarHBondContact O-N 3.03Å; K18-R22 VanDerWaalsContact O-CB 3.31Å; K18-R22 WeakPolarHBondContact O-CB 3.3Å; K18-R22 PolarHBondContact O-N 2.86Å
19A91.8Very high85.2Confident11 Ų1176.9 Ų76.99%0.09137%0.373CS..Hα-helixtrans-65-42.5178.900000112L15 L16 E17 R22 E23 A145 F150 I153L15-A19 WeakPolarHBondContact O-CB 3.45Å; L15-A19 PolarHBondContact O-N 3.19Å; L16-A19 PolarHBondContact O-N 3.43Å; E17-A19 PolarHBondContact O-N 3.38Å; A19-R22 WeakPolarHBondContact O-CB 3.45Å; A19-R22 PolarHBondContact O-N 3.45Å; A19-E23 WeakPolarHBondContact O-CB 3.31Å; A19-E23 PolarHBondContact O-N 2.93Å; A19-A145 HydrophobicContact CB-CB 4.24Å; A19-A145 WeakPolarHBondContact O-CB 3.28Å; A19-F150 HydrophobicContact CB-CD1 4.21Å; A19-F150 HydrophobicContact CB-CE1 3.5Å; A19-F150 VanDerWaalsContact CB-CE1 3.5Å; A19-F150 HydrophobicContact CB-CZ 3.77Å; A19-I153 HydrophobicContact CB-CD1 4.19Å
20I91.9Very high84.1Confident22 Ų2277.1 Ų77.111%0.11338%0.375CS..Hα-helixtrans-64.9-46.8177.6-68161.8000111.2L16 E17 R22 E23 A24 F150 A229L16-I20 HydrophobicContact CD1-CD1 3.8Å; L16-I20 HydrophobicContact CD1-CG1 4.14Å; L16-I20 HydrophobicContact CD2-CD1 4.47Å; L16-I20 HydrophobicContact CG-CD1 3.67Å; L16-I20 HydrophobicContact CG-CG1 4.44Å; L16-I20 WeakPolarHBondContact O-CD1 3.43Å; L16-I20 VanDerWaalsContact O-CG1 3.26Å; L16-I20 WeakPolarHBondContact O-CG1 3.32Å; L16-I20 PolarHBondContact O-N 2.73Å; E17-I20 PolarHBondContact O-N 3.24Å; I20-R22 PolarHBondContact O-N 2.92Å; I20-E23 PolarHBondContact O-N 3.16Å; I20-A24 WeakPolarHBondContact O-CB 3.36Å; I20-A24 PolarHBondContact O-N 2.98Å; I20-F150 HydrophobicContact CG1-CE1 3.94Å; I20-A229 VanDerWaalsContact CD1-CA 3.46Å; I20-A229 HydrophobicContact CD1-CB 3.96Å
21T91.1Very high82.3Confident79 Ų7976.1 Ų76.149%0.48538%0.377SS..Hα-helixtrans-57.2-41.6177.3-57.10000109.9E17 A24 Q25E17-T21 WeakPolarHBondContact O-CB 3.31Å; E17-T21 PolarHBondContact O-N 2.69Å; E17-T21 PolarHBondContact O-OG1 3.47Å; T21-A24 PolarHBondContact O-N 3.01Å; T21-Q25 WeakPolarHBondContact O-CG 3.31Å; T21-Q25 PolarHBondContact O-N 2.92Å; T21-Q25 VanDerWaalsContact O-N 3.11Å
22R89.4Confident80.5Confident60 Ų6075.6 Ų75.623%0.22638%0.375CS..Hα-helixtrans-68.3-43.6178.9-172.554.4167.3-176.3-1.8113K18 A19 I20 A24 Q25 M26 D141 H143 A145K18-R22 VanDerWaalsContact O-CB 3.31Å; K18-R22 WeakPolarHBondContact O-CB 3.3Å; K18-R22 PolarHBondContact O-N 2.86Å; A19-R22 WeakPolarHBondContact O-CB 3.45Å; A19-R22 PolarHBondContact O-N 3.45Å; I20-R22 PolarHBondContact O-N 2.92Å; R22-A24 VanDerWaalsContact C-N 3.34Å; R22-Q25 PolarHBondContact O-N 2.95Å; R22-M26 HydrophobicContact CG-CE 4.25Å; R22-M26 PolarHBondContact O-N 2.78Å; R22-D141 IonicContact CZ-OD1 3.89Å; R22-D141 IonicContact CZ-OD2 3.96Å; R22-D141 IonicContact NH1-OD2 3.4Å; R22-D141 PolarHBondContact NH1-OD2 2.95Å; R22-D141 IonicContact NH2-OD1 3.56Å; R22-D141 PolarHBondContact NH2-OD1 3.44Å; R22-D141 IonicContact NH2-OD2 2.68Å; R22-D141 PolarHBondContact NH2-OD2 3.42Å; R22-H143 VanDerWaalsContact CZ-O 3.27Å; R22-H143 PolarHBondContact NE-O 3.44Å; R22-H143 PolarHBondContact NH2-O 3.01Å; R22-A145 HydrophobicContact CB-CB 4.23Å; R22-A145 HydrophobicContact CG-CB 4.31Å
23E90.4Very high78.4Confident13 Ų1381.8 Ų81.86%0.06140%0.401CS..Hα-helixtrans-59.5-45.9173.8-177.8179.9-119.200110.6A19 I20 Q25 M26 W27 A145 F150 R198 G199 S200A19-E23 WeakPolarHBondContact O-CB 3.31Å; A19-E23 PolarHBondContact O-N 2.93Å; I20-E23 PolarHBondContact O-N 3.16Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.05Å; E23-M26 PolarHBondContact O-N 3.04Å; E23-M26 VanDerWaalsContact O-N 3.16Å; E23-W27 WeakPolarHBondContact O-CA 3.47Å; E23-W27 WeakPolarHBondContact O-CB 3.26Å; E23-W27 PolarHBondContact O-N 2.88Å; E23-A145 HydrophobicContact CB-CB 4.38Å; E23-F150 HydrophobicContact CB-CE2 4.22Å; E23-F150 HydrophobicContact CB-CZ 3.95Å; E23-F150 HydrophobicContact CG-CE2 4.46Å; E23-R198 WeakPolarHBondContact OE1-CB 3.22Å; E23-G199 WeakPolarHBondContact OE1-CA 3.38Å; E23-G199 PolarHBondContact OE1-N 2.96Å; E23-S200 PolarHBondContact OE1-N 3.13Å; E23-S200 PolarHBondContact OE1-OG 3.1Å; E23-S200 VanDerWaalsContact OE2-CB 3.3Å; E23-S200 WeakPolarHBondContact OE2-CB 3.34Å; E23-S200 PolarHBondContact OE2-OG 3Å
24A86.8Confident76.2Confident57 Ų5787.6 Ų87.647%0.47143%0.425SS..Hα-helixtrans-61.8-38.4-179.700000113.2I20 T21 R22 M26I20-A24 WeakPolarHBondContact O-CB 3.36Å; I20-A24 PolarHBondContact O-N 2.98Å; T21-A24 PolarHBondContact O-N 3.01Å; R22-A24 VanDerWaalsContact C-N 3.34Å; A24-M26 VanDerWaalsContact C-N 3.3Å; A24-M26 PolarHBondContact O-N 2.9Å
25Q84.9Confident74.3Confident133 Ų13386.1 Ų86.162%0.62143%0.429SS*.Hα-helixtrans-65.1-33.4176.7-75173.8-5.200112.9T21 R22 E23T21-Q25 WeakPolarHBondContact O-CG 3.31Å; T21-Q25 PolarHBondContact O-N 2.92Å; T21-Q25 VanDerWaalsContact O-N 3.11Å; R22-Q25 PolarHBondContact O-N 2.95Å; E23-Q25 VanDerWaalsContact C-N 3.34Å; E23-Q25 PolarHBondContact O-N 3.05Å
26M79.4Confident72.5Confident34 Ų3485.2 Ų85.217%0.16743%0.428CS..Hα-helixtrans-106.3-14.4-170.9-60.8-155.1-54.900114R22 E23 A24 K28 H143 T144R22-M26 HydrophobicContact CG-CE 4.25Å; R22-M26 PolarHBondContact O-N 2.78Å; E23-M26 PolarHBondContact O-N 3.04Å; E23-M26 VanDerWaalsContact O-N 3.16Å; A24-M26 VanDerWaalsContact C-N 3.3Å; A24-M26 PolarHBondContact O-N 2.9Å; M26-K28 PolarHBondContact O-N 3.4Å; M26-H143 WeakPolarHBondContact CE-O 3.42Å; M26-T144 VanDerWaalsContact CE-CB 3.4Å; M26-T144 WeakPolarHBondContact CE-OG1 3.41Å
27W76.8Confident70.9Confident70 Ų7093 Ų9327%0.26547%0.47SS..  trans-66.997.1179.5-178.1-99.1000110.3E23 F197 R198E23-W27 WeakPolarHBondContact O-CA 3.47Å; E23-W27 WeakPolarHBondContact O-CB 3.26Å; E23-W27 PolarHBondContact O-N 2.88Å; W27-F197 WeakPolarHBondContact CH2-O 3.49Å; W27-F197 WeakPolarHBondContact CZ3-O 3.31Å; W27-R198 HydrophobicContact CD2-CG 3.65Å; W27-R198 HydrophobicContact CE3-CG 3.92Å; W27-R198 HydrophobicContact CG-CG 4.1Å; W27-R198 HydrophobicContact CH2-CG 4.36Å; W27-R198 HydrophobicContact CZ2-CG 4.09Å; W27-R198 HydrophobicContact CZ3-CG 4.27Å
28K67.3Low69.6Low144 Ų14494.6 Ų94.663%0.62648%0.478SS*.  trans-93.9120.3160.7-64.9179.7-177.3176.90105.9M26 N30M26-K28 PolarHBondContact O-N 3.4Å; K28-N30 PolarHBondContact O-N 3.49Å
29V56.9Low69.1Low95 Ų9589.9 Ų89.958%0.57646%0.459SS*.  trans-55.2113.4172.6-179.90000106.4V31V29-V31 HydrophobicContact CB-CG2 4.12Å; V29-V31 HydrophobicContact CG1-CG2 3.64Å; V29-V31 PolarHBondContact O-N 2.95Å
30N52.4Low68.8Low66 Ų6690.8 Ų90.835%0.35346%0.463SS..  trans-70.273.6169.4-83.5-27.9000107.2K28 R32 A78K28-N30 PolarHBondContact O-N 3.49Å; N30-R32 PolarHBondContact O-N 3.19Å; N30-R32 VanDerWaalsContact O-N 3.1Å; N30-A78 VanDerWaalsContact OD1-CB 3.3Å; N30-A78 WeakPolarHBondContact OD1-CB 3.45Å
31V46.2Very low68.6Low106 Ų10691.1 Ų91.164%0.64247%0.468SS*.  trans-60.6118171.6179.60000105.2V29 K33V29-V31 HydrophobicContact CB-CG2 4.12Å; V29-V31 HydrophobicContact CG1-CG2 3.64Å; V29-V31 PolarHBondContact O-N 2.95Å; V31-K33 VanDerWaalsContact C-N 3.3Å; V31-K33 PolarHBondContact O-N 3.45Å
32R48.4Very low68.4Low169 Ų16990.4 Ų90.464%0.63847%0.465SS*.  trans-47.794.6177.2-66.2178.8-176.11733.9108.6N30 M34 Q196N30-R32 PolarHBondContact O-N 3.19Å; N30-R32 VanDerWaalsContact O-N 3.1Å; R32-M34 PolarHBondContact O-N 3.4Å; R32-Q196 VanDerWaalsContact NH2-OE1 3.08Å
33K45.5Very low68.4Low157 Ų15790.8 Ų90.868%0.68348%0.477SS*.  trans-68.3126.5172.7-73.6179.1-177.3168.50105.6V31V31-K33 VanDerWaalsContact C-N 3.3Å; V31-K33 PolarHBondContact O-N 3.45Å
34M41.9Very low68.4Low166 Ų16693 Ų9382%0.81849%0.487SS*.  trans-46.8135.4176.3-72.7-69.8-78.900109.5R32 S36R32-M34 PolarHBondContact O-N 3.4Å; M34-S36 PolarHBondContact O-N 2.99Å
35P51.3Low68.7Low101 Ų10190.7 Ų90.766%0.65647%0.466SS*.  trans-64.6105.2-178.125.3-31.5000108.6
36S54.3Low69.1Low51 Ų5185.8 Ų85.836%0.35744%0.444SS..  trans-80.2138.7156.571.30000107M34 Q38 N39M34-S36 PolarHBondContact O-N 2.99Å; S36-Q38 PolarHBondContact O-N 2.95Å; S36-N39 PolarHBondContact O-N 3.45Å; S36-N39 PolarHBondContact OG-ND2 3.37Å
37N58.1Low69.8Low167 Ų16790.2 Ų90.289%0.89346%0.464SS*.THydrogen-bonded Turntrans-55.7-7.5-179.5-66.8-14.4000115.1
38Q65.1Low70.7Confident144 Ų14487.5 Ų87.567%0.67346%0.456SS*.THydrogen-bonded Turntrans-100.6-7.1179.2-64177.2-3.100114.5S36S36-Q38 PolarHBondContact O-N 2.95Å
39N81.3Confident72Confident42 Ų4280.7 Ų80.723%0.22543%0.426CS..SBendtrans-106154.5-178.9-70.8-26.7000111.4S36 S41S36-N39 PolarHBondContact O-N 3.45Å; S36-N39 PolarHBondContact OG-ND2 3.37Å; N39-S41 PolarHBondContact O-N 3.12Å
40V84.4Confident73.8Confident30 Ų3081 Ų8118%0.18242%0.421CS..  trans-56.7125.2172.2174.20000110.5Q44 R45 L77 A82 L87V40-Q44 HydrophobicContact CG1-CB 4.18Å; V40-R45 HydrophobicContact CG1-CB 4.3Å; V40-L77 HydrophobicContact CG1-CD1 4.4Å; V40-L77 HydrophobicContact CG2-CD2 4.18Å; V40-A82 HydrophobicContact CG2-CB 4.25Å; V40-A82 PolarHBondContact N-O 3.45Å; V40-L87 HydrophobicContact CG1-CD1 4.09Å; V40-L87 HydrophobicContact CG1-CD2 3.71Å; V40-L87 HydrophobicContact CG2-CB 4.36Å; V40-L87 HydrophobicContact CG2-CD1 3.95Å; V40-L87 HydrophobicContact CG2-CD2 4.24Å; V40-L87 HydrophobicContact CG2-CG 4.4Å
41S88Confident75.9Confident30 Ų3080.4 Ų80.421%0.2141%0.414CS..  trans-77.9155.417573.70000111.3N39 S43 Q44 R45N39-S41 PolarHBondContact O-N 3.12Å; S41-S43 PolarHBondContact O-N 3.02Å; S41-S43 PolarHBondContact OG-OG 3.28Å; S41-Q44 PolarHBondContact O-N 2.91Å; S41-Q44 VanDerWaalsContact OG-CG 3.26Å; S41-Q44 WeakPolarHBondContact OG-CG 3.27Å; S41-Q44 PolarHBondContact OG-N 3.4Å; S41-Q44 PolarHBondContact OG-OE1 2.97Å; S41-R45 PolarHBondContact O-N 3.17Å; S41-R45 VanDerWaalsContact O-N 3.09Å
42P87.6Confident78.3Confident64 Ų6475.3 Ų75.342%0.41638%0.383SS..Hα-helixtrans-51.7-39.4171-32.739.4000114.2R45 D46 N192P42-R45 PolarHBondContact O-N 2.89Å; P42-D46 PolarHBondContact O-N 3.27Å; P42-N192 HydrophobicContact CB-CB 4.09Å
43S89.1Confident80.5Confident68 Ų6868.3 Ų68.348%0.47636%0.361SS..Hα-helixtrans-66.5-42179.158.70000112.5S41 R45 D46 E47S41-S43 PolarHBondContact O-N 3.02Å; S41-S43 PolarHBondContact OG-OG 3.28Å; S43-R45 VanDerWaalsContact C-N 3.3Å; S43-R45 PolarHBondContact O-N 3.49Å; S43-D46 PolarHBondContact O-N 3.29Å; S43-E47 WeakPolarHBondContact O-CG 3.43Å; S43-E47 PolarHBondContact O-N 2.98Å
44Q91.5Very high82.9Confident60 Ų6067.5 Ų67.528%0.2836%0.358SS..Hα-helixtrans-64.1-37.5176.3-73.3169.3-20.800111.6V40 S41 V48 L87V40-Q44 HydrophobicContact CG1-CB 4.18Å; S41-Q44 PolarHBondContact O-N 2.91Å; S41-Q44 VanDerWaalsContact OG-CG 3.26Å; S41-Q44 WeakPolarHBondContact OG-CG 3.27Å; S41-Q44 PolarHBondContact OG-N 3.4Å; S41-Q44 PolarHBondContact OG-OE1 2.97Å; Q44-V48 WeakPolarHBondContact O-CB 3.46Å; Q44-V48 WeakPolarHBondContact O-CG2 3.33Å; Q44-V48 PolarHBondContact O-N 3.44Å; Q44-V48 VanDerWaalsContact O-N 3.08Å; Q44-L87 HydrophobicContact CB-CD2 3.89Å
45R93.1Very high85.4Confident8 Ų859.8 Ų59.83%0.0332%0.32CS..Hα-helixtrans-62.2-46.5173.6-178.6-92176.8-151.8-2.5111V40 S41 P42 S43 V48 I49 D74 L77 M189V40-R45 HydrophobicContact CG1-CB 4.3Å; S41-R45 PolarHBondContact O-N 3.17Å; S41-R45 VanDerWaalsContact O-N 3.09Å; P42-R45 PolarHBondContact O-N 2.89Å; S43-R45 VanDerWaalsContact C-N 3.3Å; S43-R45 PolarHBondContact O-N 3.49Å; R45-V48 PolarHBondContact O-N 3.34Å; R45-I49 HydrophobicContact CG-CG1 4.45Å; R45-I49 VanDerWaalsContact CZ-CG1 3.47Å; R45-I49 WeakPolarHBondContact O-CG1 3.33Å; R45-I49 PolarHBondContact O-N 2.9Å; R45-D74 IonicContact CZ-OD1 3.49Å; R45-D74 IonicContact CZ-OD2 3.64Å; R45-D74 IonicContact NE-OD1 2.82Å; R45-D74 PolarHBondContact NE-OD1 3.11Å; R45-D74 IonicContact NE-OD2 3.75Å; R45-D74 IonicContact NH2-OD1 3.33Å; R45-D74 PolarHBondContact NH2-OD1 3.08Å; R45-D74 IonicContact NH2-OD2 2.75Å; R45-D74 PolarHBondContact NH2-OD2 3.43Å; R45-L77 HydrophobicContact CG-CD1 4.46Å; R45-M189 PolarHBondContact NH1-O 3.36Å; R45-M189 PolarHBondContact NH2-O 3.43Å
46D92.4Very high87.5Confident30 Ų3056.2 Ų56.216%0.1629%0.294CS..Hα-helixtrans-64-41.7-179.6-71.9-4.7000111.9P42 S43 V48 I49 Q50 A190 N192P42-D46 PolarHBondContact O-N 3.27Å; S43-D46 PolarHBondContact O-N 3.29Å; D46-V48 VanDerWaalsContact C-N 3.35Å; D46-V48 PolarHBondContact O-N 2.93Å; D46-I49 PolarHBondContact O-N 3.39Å; D46-Q50 VanDerWaalsContact O-CG 3.28Å; D46-Q50 WeakPolarHBondContact O-CG 3.31Å; D46-Q50 PolarHBondContact O-N 2.88Å; D46-A190 VanDerWaalsContact CB-O 3.26Å; D46-A190 WeakPolarHBondContact CB-O 3.38Å; D46-N192 VanDerWaalsContact CG-N 3.34Å; D46-N192 VanDerWaalsContact OD1-CB 3.31Å; D46-N192 WeakPolarHBondContact OD1-CB 3.46Å; D46-N192 PolarHBondContact OD1-N 3.42Å; D46-N192 WeakPolarHBondContact OD2-CB 3.43Å; D46-N192 PolarHBondContact OD2-N 2.81Å
47E93.7Very high89.4Confident126 Ų12659.3 Ų59.359%0.58930%0.299SS*.Hα-helixtrans-59-44.4173.8-74171.2-161.800112.2S43 Q50 W51S43-E47 WeakPolarHBondContact O-CG 3.43Å; S43-E47 PolarHBondContact O-N 2.98Å; E47-Q50 PolarHBondContact O-N 3.13Å; E47-W51 PolarHBondContact O-N 3.33Å
48V95.5Very high91.2Very high14 Ų1456.4 Ų56.49%0.08528%0.279CS..Hα-helixtrans-71.1-36.3-178.6165.90000112.1Q44 R45 D46 W51 L52 L73 L87 A91Q44-V48 WeakPolarHBondContact O-CB 3.46Å; Q44-V48 WeakPolarHBondContact O-CG2 3.33Å; Q44-V48 PolarHBondContact O-N 3.44Å; Q44-V48 VanDerWaalsContact O-N 3.08Å; R45-V48 PolarHBondContact O-N 3.34Å; D46-V48 VanDerWaalsContact C-N 3.35Å; D46-V48 PolarHBondContact O-N 2.93Å; V48-W51 HydrophobicContact CG1-CE3 4.26Å; V48-W51 WeakPolarHBondContact O-CB 3.37Å; V48-W51 PolarHBondContact O-N 3.48Å; V48-L52 WeakPolarHBondContact O-CG 3.1Å; V48-L52 PolarHBondContact O-N 3.26Å; V48-L73 HydrophobicContact CG1-CD2 4.11Å; V48-L87 HydrophobicContact CB-CD2 4.22Å; V48-L87 HydrophobicContact CB-CG 4.36Å; V48-L87 HydrophobicContact CG1-CG 4.32Å; V48-L87 HydrophobicContact CG2-CD2 3.62Å; V48-L87 HydrophobicContact CG2-CG 3.85Å; V48-A91 HydrophobicContact CG1-CB 3.2Å
49I95.3Very high92.6Very high0 Ų051.4 Ų51.40%026%0.256CS..Hα-helixtrans-68.7-39.2174.6-64.6-85.9000110.6R45 D46 W51 L52 A53 F66 L73 A190R45-I49 HydrophobicContact CG-CG1 4.45Å; R45-I49 VanDerWaalsContact CZ-CG1 3.47Å; R45-I49 WeakPolarHBondContact O-CG1 3.33Å; R45-I49 PolarHBondContact O-N 2.9Å; D46-I49 PolarHBondContact O-N 3.39Å; I49-W51 VanDerWaalsContact C-N 3.27Å; I49-W51 PolarHBondContact O-N 3.47Å; I49-L52 PolarHBondContact O-N 2.86Å; I49-A53 PolarHBondContact O-N 2.59Å; I49-F66 HydrophobicContact CG2-CE2 3.99Å; I49-F66 HydrophobicContact CG2-CZ 3.63Å; I49-F66 WeakPolarHBondContact O-CE2 3.32Å; I49-L73 HydrophobicContact CD1-CD2 3.82Å; I49-L73 HydrophobicContact CG1-CD2 4.28Å; I49-A190 HydrophobicContact CB-CB 4.36Å; I49-A190 HydrophobicContact CG2-CB 3.7Å
50Q94.6Very high93.2Very high102 Ų10254.9 Ų54.948%0.47727%0.274SS..Hα-helixtrans-61.7-37.2171.2-71.3174.539.700112D46 E47 A53 K54 A190D46-Q50 VanDerWaalsContact O-CG 3.28Å; D46-Q50 WeakPolarHBondContact O-CG 3.31Å; D46-Q50 PolarHBondContact O-N 2.88Å; E47-Q50 PolarHBondContact O-N 3.13Å; Q50-A53 WeakPolarHBondContact O-CB 3.35Å; Q50-A53 PolarHBondContact O-N 3.48Å; Q50-K54 WeakPolarHBondContact O-CG 3.48Å; Q50-K54 PolarHBondContact O-N 2.99Å; Q50-K54 VanDerWaalsContact O-N 3.13Å; Q50-A190 HydrophobicContact CG-CB 3.94Å
51W96.1Very high93.8Very high53 Ų5353.7 Ų53.720%0.20127%0.267CS..Hα-helixtrans-63.4-46.3172.6170.969.6000111.9E47 V48 I49 A53 K54 L55 A91 I92 S118 C120E47-W51 PolarHBondContact O-N 3.33Å; V48-W51 HydrophobicContact CG1-CE3 4.26Å; V48-W51 WeakPolarHBondContact O-CB 3.37Å; V48-W51 PolarHBondContact O-N 3.48Å; I49-W51 VanDerWaalsContact C-N 3.27Å; I49-W51 PolarHBondContact O-N 3.47Å; W51-A53 VanDerWaalsContact C-N 3.26Å; W51-A53 PolarHBondContact O-N 3.49Å; W51-K54 WeakPolarHBondContact O-CB 3.23Å; W51-K54 PolarHBondContact O-N 2.93Å; W51-K54 VanDerWaalsContact O-N 3.08Å; W51-L55 HydrophobicContact CD2-CD1 4.15Å; W51-L55 HydrophobicContact CE3-CD1 4.43Å; W51-L55 HydrophobicContact CH2-CD1 4.12Å; W51-L55 HydrophobicContact CZ2-CD1 3.77Å; W51-L55 HydrophobicContact CZ3-CD1 4.41Å; W51-L55 PolarHBondContact O-N 2.83Å; W51-A91 HydrophobicContact CZ3-CB 4.03Å; W51-I92 HydrophobicContact CH2-CB 3.94Å; W51-I92 HydrophobicContact CH2-CD1 4.08Å; W51-I92 HydrophobicContact CH2-CG1 4.42Å; W51-I92 HydrophobicContact CZ3-CB 4.42Å; W51-S118 VanDerWaalsContact CZ2-O 3.31Å; W51-S118 WeakPolarHBondContact CZ2-O 3.28Å; W51-S118 PolarHBondContact NE1-O 3.3Å; W51-C120 HydrophobicContact CH2-CB 3.65Å; W51-C120 HydrophobicContact CZ2-CB 3.79Å
52L97.1Very high94.1Very high0 Ų056.9 Ų56.90%028%0.275CS..Hα-helixtrans-58.7-37.4173.6-68.1-173.6000112.4V48 I49 K54 L55 K56 F66 A69 A91 F95V48-L52 WeakPolarHBondContact O-CG 3.1Å; V48-L52 PolarHBondContact O-N 3.26Å; I49-L52 PolarHBondContact O-N 2.86Å; L52-K54 VanDerWaalsContact C-N 3.32Å; L52-K54 PolarHBondContact O-N 3.23Å; L52-L55 HydrophobicContact CD2-CD1 4.15Å; L52-L55 PolarHBondContact O-N 2.96Å; L52-K56 PolarHBondContact O-N 3.4Å; L52-F66 HydrophobicContact CB-CD2 4.03Å; L52-F66 HydrophobicContact CB-CE2 3.93Å; L52-A69 HydrophobicContact CD1-CB 4.41Å; L52-A91 HydrophobicContact CD1-CB 4.27Å; L52-A91 HydrophobicContact CD2-CB 4.31Å; L52-A91 HydrophobicContact CG-CB 4.44Å; L52-F95 HydrophobicContact CD2-CB 3.8Å; L52-F95 HydrophobicContact CD2-CD2 4.08Å; L52-F95 HydrophobicContact CD2-CG 4.06Å
53A94.7Very high94.5Very high21 Ų2155.1 Ų55.117%0.17426%0.263CS..Hα-helixtrans-62.4-40.517600000111.4I49 Q50 W51 K56 Y57 F66I49-A53 PolarHBondContact O-N 2.59Å; Q50-A53 WeakPolarHBondContact O-CB 3.35Å; Q50-A53 PolarHBondContact O-N 3.48Å; W51-A53 VanDerWaalsContact C-N 3.26Å; W51-A53 PolarHBondContact O-N 3.49Å; A53-K56 PolarHBondContact O-N 3.42Å; A53-Y57 WeakPolarHBondContact O-CD2 3.32Å; A53-Y57 PolarHBondContact O-N 3.5Å; A53-F66 HydrophobicContact CB-CD2 4.21Å; A53-F66 HydrophobicContact CB-CE2 3.65Å; A53-F66 HydrophobicContact CB-CZ 3.98Å
54K95.2Very high94.8Very high141 Ų14154.7 Ų54.761%0.61325%0.254SS*.Hα-helixtrans-63.8-43.6174-66.7169.3-174.9174.10111.4Q50 W51 L52 K56 Y57 Q58Q50-K54 WeakPolarHBondContact O-CG 3.48Å; Q50-K54 PolarHBondContact O-N 2.99Å; Q50-K54 VanDerWaalsContact O-N 3.13Å; W51-K54 WeakPolarHBondContact O-CB 3.23Å; W51-K54 PolarHBondContact O-N 2.93Å; W51-K54 VanDerWaalsContact O-N 3.08Å; L52-K54 VanDerWaalsContact C-N 3.32Å; L52-K54 PolarHBondContact O-N 3.23Å; K54-K56 VanDerWaalsContact C-N 3.33Å; K54-K56 PolarHBondContact O-N 3.39Å; K54-Y57 PolarHBondContact O-N 3.21Å; K54-Y57 VanDerWaalsContact O-N 3.13Å; K54-Q58 PolarHBondContact O-N 3.44Å
55L95.9Very high95.1Very high3 Ų351.8 Ų51.82%0.01624%0.241CC..Hα-helixtrans-60.9-41.3177.1-64.1-175.8000112W51 L52 Y57 Q58 F59 I92 F95W51-L55 HydrophobicContact CD2-CD1 4.15Å; W51-L55 HydrophobicContact CE3-CD1 4.43Å; W51-L55 HydrophobicContact CH2-CD1 4.12Å; W51-L55 HydrophobicContact CZ2-CD1 3.77Å; W51-L55 HydrophobicContact CZ3-CD1 4.41Å; W51-L55 PolarHBondContact O-N 2.83Å; L52-L55 HydrophobicContact CD2-CD1 4.15Å; L52-L55 PolarHBondContact O-N 2.96Å; L55-Y57 PolarHBondContact O-N 3.08Å; L55-Q58 PolarHBondContact O-N 3.32Å; L55-Q58 VanDerWaalsContact O-N 3.09Å; L55-F59 HydrophobicContact CB-CD2 4.33Å; L55-F59 HydrophobicContact CD2-CE2 4.21Å; L55-F59 WeakPolarHBondContact O-CD2 3.43Å; L55-F59 PolarHBondContact O-N 2.99Å; L55-I92 HydrophobicContact CD1-CD1 3.59Å; L55-F95 HydrophobicContact CB-CE1 4.18Å; L55-F95 HydrophobicContact CB-CZ 4.01Å
56K95.4Very high95.2Very high27 Ų2751.4 Ų51.412%0.11724%0.239CC..Hα-helixtrans-53.8-40.9174.4174.6-98.1174.1-167.60112.1L52 A53 K54 N60 L61 F66 F95L52-K56 PolarHBondContact O-N 3.4Å; A53-K56 PolarHBondContact O-N 3.42Å; K54-K56 VanDerWaalsContact C-N 3.33Å; K54-K56 PolarHBondContact O-N 3.39Å; K56-N60 PolarHBondContact O-N 2.93Å; K56-N60 VanDerWaalsContact O-N 3.15Å; K56-L61 WeakPolarHBondContact CE-O 3.2Å; K56-L61 HydrophobicContact CG-CB 4.44Å; K56-L61 PolarHBondContact O-N 2.84Å; K56-F66 HydrophobicContact CB-CB 4.14Å; K56-F66 HydrophobicContact CG-CB 3.99Å; K56-F95 HydrophobicContact CB-CE2 4.21Å; K56-F95 HydrophobicContact CB-CZ 4.38Å
57Y94.2Very high95.4Very high116 Ų11650 Ų5046%0.45523%0.231SC..Hα-helixtrans-74-40175-67.1-70.4000112.8A53 K54 L55 F59 N60A53-Y57 WeakPolarHBondContact O-CD2 3.32Å; A53-Y57 PolarHBondContact O-N 3.5Å; K54-Y57 PolarHBondContact O-N 3.21Å; K54-Y57 VanDerWaalsContact O-N 3.13Å; L55-Y57 PolarHBondContact O-N 3.08Å; Y57-F59 VanDerWaalsContact C-N 3.34Å; Y57-F59 PolarHBondContact O-N 3.43Å; Y57-N60 PolarHBondContact O-N 3.3Å
58Q95.3Very high95.5Very high105 Ų10544.8 Ų44.849%0.49121%0.207SC..Hα-helixtrans-61.3-40.9179.3-178.9177.8-25.500112.5K54 L55 D117K54-Q58 PolarHBondContact O-N 3.44Å; L55-Q58 PolarHBondContact O-N 3.32Å; L55-Q58 VanDerWaalsContact O-N 3.09Å; Q58-D117 PolarHBondContact NE2-O 3.44Å
59F94.6Very high95.6Very high40 Ų4044.1 Ų44.118%0.17520%0.203CC..THydrogen-bonded Turntrans-93.92.1179-68.7-77.6000113.6L55 Y57 L61 P109 V113 L114 D117L55-F59 HydrophobicContact CB-CD2 4.33Å; L55-F59 HydrophobicContact CD2-CE2 4.21Å; L55-F59 WeakPolarHBondContact O-CD2 3.43Å; L55-F59 PolarHBondContact O-N 2.99Å; Y57-F59 VanDerWaalsContact C-N 3.34Å; Y57-F59 PolarHBondContact O-N 3.43Å; F59-L61 VanDerWaalsContact C-N 3.28Å; F59-L61 HydrophobicContact CB-CD1 4.35Å; F59-L61 HydrophobicContact CB-CD2 4.24Å; F59-L61 HydrophobicContact CB-CG 3.88Å; F59-L61 PolarHBondContact O-N 3.14Å; F59-P109 HydrophobicContact CD1-CB 3.83Å; F59-P109 HydrophobicContact CD1-CG 4.46Å; F59-P109 HydrophobicContact CE1-CB 4.03Å; F59-V113 HydrophobicContact CE1-CG1 4.48Å; F59-L114 HydrophobicContact CD2-CD1 4.13Å; F59-L114 HydrophobicContact CE1-CD1 4.37Å; F59-L114 HydrophobicContact CE2-CD1 3.58Å; F59-L114 HydrophobicContact CZ-CD1 3.72Å; F59-D117 HydrophobicContact CZ-CB 3.96Å
60N94.5Very high95.6Very high114 Ų11444.1 Ų44.161%0.6120%0.203SC*.THydrogen-bonded Turntrans52.243-179.9-165.433.7000113.8K56 Y57 R107K56-N60 PolarHBondContact O-N 2.93Å; K56-N60 VanDerWaalsContact O-N 3.15Å; Y57-N60 PolarHBondContact O-N 3.3Å; N60-R107 PolarHBondContact ND2-NH2 3.36Å; N60-R107 PolarHBondContact O-NH2 2.93Å
61L95.4Very high95.5Very high6 Ų640 Ų403%0.03119%0.186CC..  trans-84.9163178.1-58-170.1000111.3K56 F59 T65 F95 A99 E103K56-L61 WeakPolarHBondContact CE-O 3.2Å; K56-L61 HydrophobicContact CG-CB 4.44Å; K56-L61 PolarHBondContact O-N 2.84Å; F59-L61 VanDerWaalsContact C-N 3.28Å; F59-L61 HydrophobicContact CB-CD1 4.35Å; F59-L61 HydrophobicContact CB-CD2 4.24Å; F59-L61 HydrophobicContact CB-CG 3.88Å; F59-L61 PolarHBondContact O-N 3.14Å; L61-T65 HydrophobicContact CB-CG2 4.41Å; L61-T65 HydrophobicContact CD1-CG2 3.9Å; L61-F95 HydrophobicContact CD1-CE1 3.67Å; L61-F95 HydrophobicContact CD1-CE2 4.36Å; L61-F95 HydrophobicContact CD1-CZ 3.48Å; L61-F95 VanDerWaalsContact CD1-CZ 3.48Å; L61-F95 HydrophobicContact CG-CZ 4.45Å; L61-A99 HydrophobicContact CD1-CB 4.18Å; L61-E103 WeakPolarHBondContact CB-OE1 3.49Å; L61-E103 HydrophobicContact CD2-CG 4.1Å
62Y95.7Very high95.4Very high96 Ų9637.5 Ų37.538%0.37618%0.176SC..  trans-67.6150176.5-70.3-62.9000112.3E64 T65 E103Y62-E64 WeakPolarHBondContact CB-OE2 3.23Å; Y62-E64 PolarHBondContact O-N 3.21Å; Y62-T65 WeakPolarHBondContact O-CB 3.34Å; Y62-T65 PolarHBondContact O-N 2.76Å; Y62-E103 WeakPolarHBondContact CB-OE1 3.48Å; Y62-E103 VanDerWaalsContact CD2-CD 3.47Å; Y62-E103 WeakPolarHBondContact CD2-OE1 3.46Å; Y62-E103 WeakPolarHBondContact CD2-OE2 3.22Å; Y62-E103 WeakPolarHBondContact CE2-OE2 3.43Å; Y62-E103 PolarHBondContact N-OE1 2.95Å
63P95.6Very high95.3Very high27 Ų2737.5 Ų37.518%0.17518%0.176CC..Hα-helixtrans-60.7-29.4174.924.4-31.4000112.9T65 F66 A67 L148 T182 L186P63-T65 VanDerWaalsContact C-N 3.32Å; P63-T65 PolarHBondContact O-N 3.11Å; P63-F66 PolarHBondContact O-N 2.87Å; P63-A67 PolarHBondContact O-N 3.38Å; P63-L148 HydrophobicContact CB-CD2 3.99Å; P63-L148 HydrophobicContact CG-CD2 4.37Å; P63-T182 HydrophobicContact CB-CG2 3.62Å; P63-T182 HydrophobicContact CG-CG2 3.87Å; P63-L186 HydrophobicContact CB-CD1 3.81Å
64E95.6Very high95.2Very high59 Ų5937.5 Ų37.528%0.27617%0.174SC..Hα-helixtrans-58.8-41.6174.2-68.281.5176.900111.7Y62 F66 A67 L68 V102 L148 H152Y62-E64 WeakPolarHBondContact CB-OE2 3.23Å; Y62-E64 PolarHBondContact O-N 3.21Å; E64-F66 VanDerWaalsContact C-N 3.35Å; E64-F66 PolarHBondContact O-N 2.99Å; E64-A67 PolarHBondContact O-N 2.85Å; E64-L68 WeakPolarHBondContact O-CB 3.49Å; E64-L68 PolarHBondContact O-N 3.43Å; E64-V102 HydrophobicContact CB-CG1 3.67Å; E64-L148 HydrophobicContact CB-CD2 4.45Å; E64-L148 HydrophobicContact CG-CD2 3.97Å; E64-H152 IonicContact OE1-CE1 2.76Å; E64-H152 PolarHBondContact OE1-CE1 3.47Å
65T96.6Very high95Very high0 Ų033 Ų330%015%0.153CC..Hα-helixtrans-60.8-43.9176.9-62.80000111.6L61 Y62 P63 A69 A98 A99 V102 E103L61-T65 HydrophobicContact CB-CG2 4.41Å; L61-T65 HydrophobicContact CD1-CG2 3.9Å; Y62-T65 WeakPolarHBondContact O-CB 3.34Å; Y62-T65 PolarHBondContact O-N 2.76Å; P63-T65 VanDerWaalsContact C-N 3.32Å; P63-T65 PolarHBondContact O-N 3.11Å; T65-A69 VanDerWaalsContact O-CB 3.25Å; T65-A69 WeakPolarHBondContact O-CB 3.3Å; T65-A69 PolarHBondContact O-N 2.77Å; T65-A98 HydrophobicContact CG2-CB 4.14Å; T65-A98 WeakPolarHBondContact O-CB 3.34Å; T65-A99 HydrophobicContact CG2-CB 4.02Å; T65-V102 WeakPolarHBondContact OG1-CG1 3.47Å; T65-E103 WeakPolarHBondContact CB-OE1 3.39Å; T65-E103 HydrophobicContact CG2-CG 4.47Å; T65-E103 WeakPolarHBondContact OG1-CG 3.47Å; T65-E103 PolarHBondContact OG1-OE1 3.43Å
66F96.8Very high94.9Very high0 Ų033 Ų330%015%0.153CC..Hα-helixtrans-67.8-42.2175.8167.8-93000112.5I49 L52 A53 K56 P63 E64 L68 A69 S70 L186 M189I49-F66 HydrophobicContact CG2-CE2 3.99Å; I49-F66 HydrophobicContact CG2-CZ 3.63Å; I49-F66 WeakPolarHBondContact O-CE2 3.32Å; L52-F66 HydrophobicContact CB-CD2 4.03Å; L52-F66 HydrophobicContact CB-CE2 3.93Å; A53-F66 HydrophobicContact CB-CD2 4.21Å; A53-F66 HydrophobicContact CB-CE2 3.65Å; A53-F66 HydrophobicContact CB-CZ 3.98Å; K56-F66 HydrophobicContact CB-CB 4.14Å; K56-F66 HydrophobicContact CG-CB 3.99Å; P63-F66 PolarHBondContact O-N 2.87Å; E64-F66 VanDerWaalsContact C-N 3.35Å; E64-F66 PolarHBondContact O-N 2.99Å; F66-L68 VanDerWaalsContact C-N 3.32Å; F66-L68 PolarHBondContact O-N 2.84Å; F66-A69 PolarHBondContact O-N 2.88Å; F66-S70 WeakPolarHBondContact CZ-OG 3.36Å; F66-S70 WeakPolarHBondContact O-CB 3.46Å; F66-S70 PolarHBondContact O-N 3.22Å; F66-S70 PolarHBondContact O-OG 3.29Å; F66-L186 HydrophobicContact CD1-CB 4.1Å; F66-L186 HydrophobicContact CD1-CD1 3.78Å; F66-L186 HydrophobicContact CD1-CD2 3.63Å; F66-L186 HydrophobicContact CD1-CG 4Å; F66-L186 HydrophobicContact CE1-CB 3.82Å; F66-L186 HydrophobicContact CE1-CD1 4.35Å; F66-L186 HydrophobicContact CE1-CD2 3.96Å; F66-L186 HydrophobicContact CE1-CG 4.21Å; F66-L186 HydrophobicContact CG-CD1 4.45Å; F66-M189 HydrophobicContact CE1-CB 4.46Å
67A95.8Very high94.6Very high0 Ų033.6 Ų33.60%016%0.157CC..Hα-helixtrans-62.7-41.6179.400000111.5P63 E64 S71 T146 L148 M189P63-A67 PolarHBondContact O-N 3.38Å; E64-A67 PolarHBondContact O-N 2.85Å; A67-S71 WeakPolarHBondContact O-CB 3.39Å; A67-S71 PolarHBondContact O-N 3.29Å; A67-S71 VanDerWaalsContact O-N 3.1Å; A67-S71 PolarHBondContact O-OG 2.59Å; A67-T146 HydrophobicContact CB-CG2 4.18Å; A67-L148 HydrophobicContact CB-CB 3.93Å; A67-L148 HydrophobicContact CB-CD2 4.06Å; A67-M189 HydrophobicContact CB-CE 4.1Å; A67-M189 HydrophobicContact CB-SD 4.16Å
68L95.7Very high94.3Very high16 Ų1629.5 Ų29.58%0.08415%0.147CC..Hα-helixtrans-66.7-48174179.159.7000111.7E64 F66 S70 S71 L72 A98 T101 V102 L142 T144E64-L68 WeakPolarHBondContact O-CB 3.49Å; E64-L68 PolarHBondContact O-N 3.43Å; F66-L68 VanDerWaalsContact C-N 3.32Å; F66-L68 PolarHBondContact O-N 2.84Å; L68-S70 VanDerWaalsContact C-N 3.28Å; L68-S70 PolarHBondContact O-N 3.33Å; L68-S71 PolarHBondContact O-N 2.57Å; L68-S71 VanDerWaalsContact O-N 3.1Å; L68-L72 HydrophobicContact CD1-CD1 4.23Å; L68-L72 HydrophobicContact CD1-CD2 4.37Å; L68-L72 HydrophobicContact CD1-CG 4.01Å; L68-L72 HydrophobicContact CG-CD1 4.05Å; L68-L72 HydrophobicContact CG-CG 4.28Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 3.43Å; L68-A98 HydrophobicContact CB-CB 4.05Å; L68-A98 HydrophobicContact CD2-CB 4Å; L68-A98 HydrophobicContact CG-CB 3.89Å; L68-T101 WeakPolarHBondContact CD2-OG1 3.27Å; L68-V102 HydrophobicContact CD2-CG2 3.61Å; L68-L142 WeakPolarHBondContact CD1-O 3.31Å; L68-T144 HydrophobicContact CD1-CG2 3.52Å
69A97Very high94Very high0 Ų027.8 Ų27.80%014%0.144CC..Hα-helixtrans-55.5-44.517800000112.2L52 T65 F66 L72 L73 F95 A98L52-A69 HydrophobicContact CD1-CB 4.41Å; T65-A69 VanDerWaalsContact O-CB 3.25Å; T65-A69 WeakPolarHBondContact O-CB 3.3Å; T65-A69 PolarHBondContact O-N 2.77Å; F66-A69 PolarHBondContact O-N 2.88Å; A69-L72 PolarHBondContact O-N 3.08Å; A69-L73 WeakPolarHBondContact O-CB 3.27Å; A69-L73 PolarHBondContact O-N 3.1Å; A69-F95 HydrophobicContact CB-CB 4.26Å; A69-F95 HydrophobicContact CB-CD2 3.98Å; A69-A98 HydrophobicContact CB-CB 3.79Å
70S94.9Very high93.7Very high0 Ų027.5 Ų27.50%015%0.145CC..Hα-helixtrans-61.8-45.5176.6-58.20000111.4F66 L68 L72 L73 D74F66-S70 WeakPolarHBondContact CZ-OG 3.36Å; F66-S70 WeakPolarHBondContact O-CB 3.46Å; F66-S70 PolarHBondContact O-N 3.22Å; F66-S70 PolarHBondContact O-OG 3.29Å; L68-S70 VanDerWaalsContact C-N 3.28Å; L68-S70 PolarHBondContact O-N 3.33Å; S70-L72 PolarHBondContact O-N 3.21Å; S70-L73 PolarHBondContact O-N 3.42Å; S70-D74 PolarHBondContact O-N 2.85Å
71S93.4Very high93.3Very high16 Ų1629.5 Ų29.511%0.11215%0.148CC..Hα-helixtrans-65.2-38.8178.7-57.40000112.4A67 L68 R75A67-S71 WeakPolarHBondContact O-CB 3.39Å; A67-S71 PolarHBondContact O-N 3.29Å; A67-S71 VanDerWaalsContact O-N 3.1Å; A67-S71 PolarHBondContact O-OG 2.59Å; L68-S71 PolarHBondContact O-N 2.57Å; L68-S71 VanDerWaalsContact O-N 3.1Å; S71-R75 WeakPolarHBondContact O-CB 3.27Å; S71-R75 WeakPolarHBondContact O-CG 3.42Å; S71-R75 PolarHBondContact O-N 2.68Å
72L94.9Very high93Very high0 Ų029.7 Ų29.70%015%0.151CC..Hα-helixtrans-65.8-43.4175.3-68.8176000111.4L68 A69 S70 R75 F76 C94 L97 A98 L138 L142L68-L72 HydrophobicContact CD1-CD1 4.23Å; L68-L72 HydrophobicContact CD1-CD2 4.37Å; L68-L72 HydrophobicContact CD1-CG 4.01Å; L68-L72 HydrophobicContact CG-CD1 4.05Å; L68-L72 HydrophobicContact CG-CG 4.28Å; L68-L72 WeakPolarHBondContact O-CG 3.4Å; L68-L72 PolarHBondContact O-N 3.43Å; A69-L72 PolarHBondContact O-N 3.08Å; S70-L72 PolarHBondContact O-N 3.21Å; L72-R75 PolarHBondContact O-N 3.34Å; L72-F76 VanDerWaalsContact O-CB 3.32Å; L72-F76 WeakPolarHBondContact O-CB 3.31Å; L72-F76 PolarHBondContact O-N 3.48Å; L72-C94 HydrophobicContact CB-CB 4.2Å; L72-L97 HydrophobicContact CD1-CD2 4.29Å; L72-L97 HydrophobicContact CD1-CG 4.4Å; L72-A98 HydrophobicContact CD1-CB 4.44Å; L72-L138 HydrophobicContact CD2-CD1 3.76Å; L72-L142 HydrophobicContact CD1-CD2 4.36Å; L72-L142 HydrophobicContact CD2-CB 4.46Å; L72-L142 HydrophobicContact CD2-CD2 3.76Å
73L94.9Very high92.7Very high0 Ų028.1 Ų28.10%015%0.147CC..Hα-helixtrans-58.9-50.6175.6179.561.9000111V48 I49 A69 S70 R75 F76 L77 L87 I90 A91 C94V48-L73 HydrophobicContact CG1-CD2 4.11Å; I49-L73 HydrophobicContact CD1-CD2 3.82Å; I49-L73 HydrophobicContact CG1-CD2 4.28Å; A69-L73 WeakPolarHBondContact O-CB 3.27Å; A69-L73 PolarHBondContact O-N 3.1Å; S70-L73 PolarHBondContact O-N 3.42Å; L73-R75 PolarHBondContact O-N 2.98Å; L73-F76 PolarHBondContact O-N 3.45Å; L73-L77 HydrophobicContact CD1-CD1 3.93Å; L73-L77 HydrophobicContact CD1-CG 4.06Å; L73-L77 HydrophobicContact CG-CD1 3.96Å; L73-L77 HydrophobicContact CG-CG 4.43Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 VanDerWaalsContact O-CG 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.5Å; L73-L87 HydrophobicContact CD1-CD1 4.26Å; L73-I90 HydrophobicContact CD1-CB 4.4Å; L73-I90 HydrophobicContact CD1-CG2 3.58Å; L73-A91 HydrophobicContact CD1-CB 4.39Å; L73-A91 HydrophobicContact CD2-CB 4.12Å; L73-C94 HydrophobicContact CB-CB 4.47Å
74D91.9Very high92.4Very high21 Ų2128.3 Ų28.311%0.11215%0.148CC..Hα-helixtrans-63.6-40.8-178.8-68.5-30.8000111.8R45 S70 L77 A78R45-D74 IonicContact CZ-OD1 3.49Å; R45-D74 IonicContact CZ-OD2 3.64Å; R45-D74 IonicContact NE-OD1 2.82Å; R45-D74 PolarHBondContact NE-OD1 3.11Å; R45-D74 IonicContact NE-OD2 3.75Å; R45-D74 IonicContact NH2-OD1 3.33Å; R45-D74 PolarHBondContact NH2-OD1 3.08Å; R45-D74 IonicContact NH2-OD2 2.75Å; R45-D74 PolarHBondContact NH2-OD2 3.43Å; S70-D74 PolarHBondContact O-N 2.85Å; D74-L77 PolarHBondContact O-N 3.48Å; D74-A78 WeakPolarHBondContact O-CB 3.16Å; D74-A78 PolarHBondContact O-N 3.19Å
75R91Very high92.2Very high46 Ų4631.6 Ų31.617%0.17416%0.162CC..Hα-helixtrans-63.5-40.4175-75.5172.964.7-152.4-3.5112.4S71 L72 L73 A78 T79 L138 D141S71-R75 WeakPolarHBondContact O-CB 3.27Å; S71-R75 WeakPolarHBondContact O-CG 3.42Å; S71-R75 PolarHBondContact O-N 2.68Å; L72-R75 PolarHBondContact O-N 3.34Å; L73-R75 PolarHBondContact O-N 2.98Å; R75-A78 PolarHBondContact O-N 3.2Å; R75-T79 PolarHBondContact O-N 2.72Å; R75-T79 PolarHBondContact O-OG1 3.43Å; R75-L138 HydrophobicContact CB-CD2 3.96Å; R75-D141 VanDerWaalsContact CZ-O 3.26Å; R75-D141 PolarHBondContact NH1-O 2.92Å; R75-D141 PolarHBondContact NH2-O 3.49Å
76F92.7Very high92.1Very high5 Ų533.5 Ų33.52%0.02217%0.169CC..Hα-helixtrans-66.5-47.8177.9-177.5-95.7000111.2L72 L73 A78 T79 V80 I90 M130 I133 I134 K137L72-F76 VanDerWaalsContact O-CB 3.32Å; L72-F76 WeakPolarHBondContact O-CB 3.31Å; L72-F76 PolarHBondContact O-N 3.48Å; L73-F76 PolarHBondContact O-N 3.45Å; F76-A78 VanDerWaalsContact C-N 3.27Å; F76-A78 PolarHBondContact O-N 3Å; F76-T79 PolarHBondContact O-N 3.36Å; F76-V80 HydrophobicContact CD2-CG2 4.4Å; F76-V80 HydrophobicContact CE1-CB 4.2Å; F76-V80 HydrophobicContact CE1-CG1 4.47Å; F76-V80 HydrophobicContact CE1-CG2 4.45Å; F76-V80 HydrophobicContact CE2-CG2 3.97Å; F76-V80 HydrophobicContact CZ-CB 4.19Å; F76-V80 HydrophobicContact CZ-CG1 4.35Å; F76-V80 HydrophobicContact CZ-CG2 4Å; F76-V80 PolarHBondContact O-N 2.93Å; F76-I90 HydrophobicContact CD1-CD1 4.45Å; F76-I90 HydrophobicContact CD1-CG2 3.54Å; F76-I90 HydrophobicContact CE1-CD1 3.86Å; F76-I90 HydrophobicContact CE1-CG1 4.03Å; F76-I90 HydrophobicContact CE1-CG2 3.8Å; F76-I90 HydrophobicContact CG-CG2 4.35Å; F76-M130 HydrophobicContact CZ-SD 4.49Å; F76-I133 HydrophobicContact CE2-CG2 4.17Å; F76-I133 HydrophobicContact CZ-CG2 4.2Å; F76-I134 HydrophobicContact CD2-CB 4.2Å; F76-I134 HydrophobicContact CD2-CG1 3.76Å; F76-I134 HydrophobicContact CD2-CG2 4.31Å; F76-I134 HydrophobicContact CE2-CB 4.36Å; F76-I134 HydrophobicContact CE2-CG1 3.79Å; F76-I134 HydrophobicContact CG-CG1 4.22Å; F76-I134 HydrophobicContact CZ-CG1 4.27Å; F76-K137 HydrophobicContact CD2-CB 4.16Å; F76-K137 HydrophobicContact CE2-CB 3.96Å; F76-K137 HydrophobicContact CE2-CG 4.02Å
77L90.8Very high92Very high39 Ų3933.7 Ų33.720%0.20417%0.17CC..Hα-helixtrans-65.1-29.1177.4-66.5178.2000112.9V40 R45 L73 D74 T79 A82 L87V40-L77 HydrophobicContact CG1-CD1 4.4Å; V40-L77 HydrophobicContact CG2-CD2 4.18Å; R45-L77 HydrophobicContact CG-CD1 4.46Å; L73-L77 HydrophobicContact CD1-CD1 3.93Å; L73-L77 HydrophobicContact CD1-CG 4.06Å; L73-L77 HydrophobicContact CG-CD1 3.96Å; L73-L77 HydrophobicContact CG-CG 4.43Å; L73-L77 WeakPolarHBondContact O-CB 3.38Å; L73-L77 VanDerWaalsContact O-CG 3.32Å; L73-L77 WeakPolarHBondContact O-CG 3.42Å; L73-L77 PolarHBondContact O-N 3.5Å; D74-L77 PolarHBondContact O-N 3.48Å; L77-T79 VanDerWaalsContact C-N 3.27Å; L77-T79 PolarHBondContact O-N 2.83Å; L77-A82 HydrophobicContact CD2-CB 3.69Å; L77-L87 HydrophobicContact CD1-CD1 4.13Å; L77-L87 HydrophobicContact CD2-CD1 4.32Å
78A87.8Confident92Very high30 Ų3036 Ų3625%0.24819%0.186CC..Hα-helixtrans-67.1-29.717200000112.6N30 D74 R75 F76N30-A78 VanDerWaalsContact OD1-CB 3.3Å; N30-A78 WeakPolarHBondContact OD1-CB 3.45Å; D74-A78 WeakPolarHBondContact O-CB 3.16Å; D74-A78 PolarHBondContact O-N 3.19Å; R75-A78 PolarHBondContact O-N 3.2Å; F76-A78 VanDerWaalsContact C-N 3.27Å; F76-A78 PolarHBondContact O-N 3Å
79T87.4Confident92.1Very high69 Ų6935.6 Ų35.642%0.42319%0.185SC..Hα-helixtrans-94.2-31.5-174.6-540000112.6R75 F76 L77R75-T79 PolarHBondContact O-N 2.72Å; R75-T79 PolarHBondContact O-OG1 3.43Å; F76-T79 PolarHBondContact O-N 3.36Å; L77-T79 VanDerWaalsContact C-N 3.27Å; L77-T79 PolarHBondContact O-N 2.83Å
80V88.4Confident92.1Very high33 Ų3335.8 Ų35.820%0.219%0.186CC..SBendtrans-123.5134.3-172.5-177.60000110.9F76 A82 K137F76-V80 HydrophobicContact CD2-CG2 4.4Å; F76-V80 HydrophobicContact CE1-CB 4.2Å; F76-V80 HydrophobicContact CE1-CG1 4.47Å; F76-V80 HydrophobicContact CE1-CG2 4.45Å; F76-V80 HydrophobicContact CE2-CG2 3.97Å; F76-V80 HydrophobicContact CZ-CB 4.19Å; F76-V80 HydrophobicContact CZ-CG1 4.35Å; F76-V80 HydrophobicContact CZ-CG2 4Å; F76-V80 PolarHBondContact O-N 2.93Å; V80-A82 PolarHBondContact O-N 3.4Å; V80-A82 VanDerWaalsContact O-N 3.08Å; V80-K137 HydrophobicContact CG2-CB 4.37Å; V80-K137 HydrophobicContact CG2-CD 4.11Å; V80-K137 HydrophobicContact CG2-CG 3.97Å
81K87.9Confident92.2Very high156 Ų15635.8 Ų35.868%0.67819%0.186SC*.  trans-73.595.9166.9-68.8-177.5-176.4175.70109
82A87.9Confident92.4Very high10 Ų1035 Ų358%0.08318%0.18CC..  trans-93137179.400000111.4V40 L77 V80 I90V40-A82 HydrophobicContact CG2-CB 4.25Å; V40-A82 PolarHBondContact N-O 3.45Å; L77-A82 HydrophobicContact CD2-CB 3.69Å; V80-A82 PolarHBondContact O-N 3.4Å; V80-A82 VanDerWaalsContact O-N 3.08Å; A82-I90 HydrophobicContact CB-CD1 3.71Å
83H89.9Confident92.6Very high64 Ų6435 Ų3530%0.29618%0.18SC..  trans-79138171.3-163.3-54.2000110.1K85 Y86H83-K85 HydrophobicContact CB-CG 4.16Å; H83-K85 PolarHBondContact ND1-N 2.82Å; H83-K85 PolarHBondContact O-N 3.26Å; H83-Y86 HydrophobicContact CB-CD2 4.1Å; H83-Y86 HydrophobicContact CB-CE2 4.44Å; H83-Y86 PolarHBondContact O-N 3.48Å
84P90.2Very high92.7Very high31 Ų3135 Ų3520%0.20118%0.18CC..G310 helixtrans-48.8-32.7179.3-32.132.1000116.2Y86 L87P84-Y86 PolarHBondContact O-N 3.15Å; P84-L87 VanDerWaalsContact O-CB 3.24Å; P84-L87 WeakPolarHBondContact O-CB 3.36Å; P84-L87 PolarHBondContact O-N 3Å
85K91Very high93Very high128 Ų12834 Ų3456%0.55718%0.175SC*.G310 helixtrans-60.9-25.2178.966.5179.7165.5158.90114H83H83-K85 HydrophobicContact CB-CG 4.16Å; H83-K85 PolarHBondContact ND1-N 2.82Å; H83-K85 PolarHBondContact O-N 3.26Å
86Y93.1Very high93.3Very high39 Ų3932.4 Ų32.415%0.15317%0.169CC..G310 helixtrans-97.8-2.6179.1-58.5-58.9000112.9H83 P84 S88 C89 I90 Y334 I337H83-Y86 HydrophobicContact CB-CD2 4.1Å; H83-Y86 HydrophobicContact CB-CE2 4.44Å; H83-Y86 PolarHBondContact O-N 3.48Å; P84-Y86 PolarHBondContact O-N 3.15Å; Y86-S88 PolarHBondContact O-N 3.23Å; Y86-C89 WeakPolarHBondContact O-CB 3.28Å; Y86-C89 PolarHBondContact O-N 2.93Å; Y86-C89 VanDerWaalsContact O-N 3.13Å; Y86-I90 VanDerWaalsContact O-CG1 3.3Å; Y86-I90 WeakPolarHBondContact O-CG1 3.4Å; Y86-I90 PolarHBondContact O-N 3.32Å; Y86-Y334 HydrophobicContact CE2-CD1 4.34Å; Y86-Y334 AromaticContact CE2-CE1 3.93Å; Y86-Y334 HydrophobicContact CE2-CE1 3.93Å; Y86-I337 HydrophobicContact CE1-CG2 4.12Å; Y86-I337 HydrophobicContact CE2-CD1 4.37Å; Y86-I337 VanDerWaalsContact OH-CG2 3.29Å; Y86-I337 WeakPolarHBondContact OH-CG2 3.31Å
87L95.3Very high93.6Very high5 Ų532.6 Ų32.63%0.02617%0.17CC..Hα-helixtrans-61.2-43.1-171.4-177.661.1000112.3V40 Q44 V48 L73 L77 P84 C89 I90 A91V40-L87 HydrophobicContact CG1-CD1 4.09Å; V40-L87 HydrophobicContact CG1-CD2 3.71Å; V40-L87 HydrophobicContact CG2-CB 4.36Å; V40-L87 HydrophobicContact CG2-CD1 3.95Å; V40-L87 HydrophobicContact CG2-CD2 4.24Å; V40-L87 HydrophobicContact CG2-CG 4.4Å; Q44-L87 HydrophobicContact CB-CD2 3.89Å; V48-L87 HydrophobicContact CB-CD2 4.22Å; V48-L87 HydrophobicContact CB-CG 4.36Å; V48-L87 HydrophobicContact CG1-CG 4.32Å; V48-L87 HydrophobicContact CG2-CD2 3.62Å; V48-L87 HydrophobicContact CG2-CG 3.85Å; L73-L87 HydrophobicContact CD1-CD1 4.26Å; L77-L87 HydrophobicContact CD1-CD1 4.13Å; L77-L87 HydrophobicContact CD2-CD1 4.32Å; P84-L87 VanDerWaalsContact O-CB 3.24Å; P84-L87 WeakPolarHBondContact O-CB 3.36Å; P84-L87 PolarHBondContact O-N 3Å; L87-C89 VanDerWaalsContact C-N 3.31Å; L87-C89 PolarHBondContact O-N 3.04Å; L87-I90 PolarHBondContact O-N 2.85Å; L87-A91 VanDerWaalsContact O-CB 3.3Å; L87-A91 WeakPolarHBondContact O-CB 3.21Å; L87-A91 PolarHBondContact O-N 2.95Å
88S96.1Very high93.9Very high47 Ų4730.7 Ų30.733%0.32916%0.16SC..Hα-helixtrans-61.9-39.2176.8-520000112.3Y86 A91 I92Y86-S88 PolarHBondContact O-N 3.23Å; S88-A91 PolarHBondContact O-N 2.81Å; S88-I92 WeakPolarHBondContact O-CG2 3.45Å; S88-I92 PolarHBondContact O-N 3.38Å
89C96.8Very high94.3Very high9 Ų929.3 Ų29.36%0.06115%0.149CC..Hα-helixtrans-66-45176.3-170.10000111.6Y86 L87 I92 S93 C122Y86-C89 WeakPolarHBondContact O-CB 3.28Å; Y86-C89 PolarHBondContact O-N 2.93Å; Y86-C89 VanDerWaalsContact O-N 3.13Å; L87-C89 VanDerWaalsContact C-N 3.31Å; L87-C89 PolarHBondContact O-N 3.04Å; C89-I92 WeakPolarHBondContact O-CG2 3.41Å; C89-S93 VanDerWaalsContact O-CB 3.29Å; C89-S93 WeakPolarHBondContact O-CB 3.38Å; C89-S93 PolarHBondContact O-N 3.5Å; C89-S93 VanDerWaalsContact O-N 3.08Å; C89-S93 PolarHBondContact O-OG 3.02Å; C89-C122 VanDerWaalsContact CA-SG 3.6Å; C89-C122 WeakPolarHBondContact CB-SG 3.28Å
90I97.7Very high94.7Very high4 Ų430.1 Ų30.12%0.02115%0.146CC..Hα-helixtrans-60.7-48.9176.5-63.8160.4000109.4L73 F76 A82 Y86 L87 S93 C94 M130 I134L73-I90 HydrophobicContact CD1-CB 4.4Å; L73-I90 HydrophobicContact CD1-CG2 3.58Å; F76-I90 HydrophobicContact CD1-CD1 4.45Å; F76-I90 HydrophobicContact CD1-CG2 3.54Å; F76-I90 HydrophobicContact CE1-CD1 3.86Å; F76-I90 HydrophobicContact CE1-CG1 4.03Å; F76-I90 HydrophobicContact CE1-CG2 3.8Å; F76-I90 HydrophobicContact CG-CG2 4.35Å; A82-I90 HydrophobicContact CB-CD1 3.71Å; Y86-I90 VanDerWaalsContact O-CG1 3.3Å; Y86-I90 WeakPolarHBondContact O-CG1 3.4Å; Y86-I90 PolarHBondContact O-N 3.32Å; L87-I90 PolarHBondContact O-N 2.85Å; I90-S93 PolarHBondContact O-N 3.31Å; I90-C94 PolarHBondContact O-N 3.26Å; I90-C94 PolarHBondContact O-SG 2.81Å; I90-C94 VanDerWaalsContact O-SG 3.38Å; I90-M130 HydrophobicContact CG1-CE 3.75Å; I90-M130 HydrophobicContact CG1-CG 4.24Å; I90-M130 HydrophobicContact CG1-SD 3.67Å; I90-I134 HydrophobicContact CG2-CD1 4.37Å
91A97.7Very high95.1Very high0 Ų031.7 Ų31.70%016%0.156CC..Hα-helixtrans-64.4-45.3-176.700000113.2V48 W51 L52 L73 L87 S88 S93 C94 F95V48-A91 HydrophobicContact CG1-CB 3.2Å; W51-A91 HydrophobicContact CZ3-CB 4.03Å; L52-A91 HydrophobicContact CD1-CB 4.27Å; L52-A91 HydrophobicContact CD2-CB 4.31Å; L52-A91 HydrophobicContact CG-CB 4.44Å; L73-A91 HydrophobicContact CD1-CB 4.39Å; L73-A91 HydrophobicContact CD2-CB 4.12Å; L87-A91 VanDerWaalsContact O-CB 3.3Å; L87-A91 WeakPolarHBondContact O-CB 3.21Å; L87-A91 PolarHBondContact O-N 2.95Å; S88-A91 PolarHBondContact O-N 2.81Å; A91-S93 VanDerWaalsContact C-N 3.26Å; A91-S93 PolarHBondContact O-N 3.42Å; A91-C94 PolarHBondContact O-N 3.12Å; A91-F95 WeakPolarHBondContact O-CB 3.32Å; A91-F95 PolarHBondContact O-N 3.01Å
92I97.9Very high95.4Very high0 Ų027 Ų270%014%0.14CC..Hα-helixtrans-66-32.4176.9-162.362.1000111.8W51 L55 S88 C89 F95 F96 L114 C120 I127W51-I92 HydrophobicContact CH2-CB 3.94Å; W51-I92 HydrophobicContact CH2-CD1 4.08Å; W51-I92 HydrophobicContact CH2-CG1 4.42Å; W51-I92 HydrophobicContact CZ3-CB 4.42Å; L55-I92 HydrophobicContact CD1-CD1 3.59Å; S88-I92 WeakPolarHBondContact O-CG2 3.45Å; S88-I92 PolarHBondContact O-N 3.38Å; C89-I92 WeakPolarHBondContact O-CG2 3.41Å; I92-F95 HydrophobicContact CD1-CD1 4.32Å; I92-F95 PolarHBondContact O-N 3.19Å; I92-F96 WeakPolarHBondContact O-CB 3.42Å; I92-F96 PolarHBondContact O-N 2.98Å; I92-L114 HydrophobicContact CD1-CD1 3.88Å; I92-L114 HydrophobicContact CD1-CD2 4.23Å; I92-L114 HydrophobicContact CD1-CG 3.96Å; I92-L114 HydrophobicContact CG1-CD2 4.28Å; I92-L114 HydrophobicContact CG1-CG 4.2Å; I92-C120 HydrophobicContact CB-CB 4.28Å; I92-C120 HydrophobicContact CG1-CB 4.4Å; I92-C120 HydrophobicContact CG2-CB 4.22Å; I92-I127 HydrophobicContact CG1-CD1 4.41Å; I92-I127 HydrophobicContact CG2-CD1 3.95Å; I92-I127 HydrophobicContact CG2-CG1 3.85Å
93S98.1Very high95.8Very high0 Ų027 Ų270%014%0.139CC..Hα-helixtrans-69.7-43.2176.1-550000111.3C89 I90 A91 F95 F96 L97 I127 M130C89-S93 VanDerWaalsContact O-CB 3.29Å; C89-S93 WeakPolarHBondContact O-CB 3.38Å; C89-S93 PolarHBondContact O-N 3.5Å; C89-S93 VanDerWaalsContact O-N 3.08Å; C89-S93 PolarHBondContact O-OG 3.02Å; I90-S93 PolarHBondContact O-N 3.31Å; A91-S93 VanDerWaalsContact C-N 3.26Å; A91-S93 PolarHBondContact O-N 3.42Å; S93-F95 VanDerWaalsContact C-N 3.28Å; S93-F95 PolarHBondContact O-N 3.08Å; S93-F96 PolarHBondContact O-N 3.26Å; S93-L97 VanDerWaalsContact O-CB 3.28Å; S93-L97 WeakPolarHBondContact O-CB 3.49Å; S93-L97 PolarHBondContact O-N 3.33Å; S93-I127 PolarHBondContact OG-O 2.94Å; S93-M130 WeakPolarHBondContact OG-CB 3Å; S93-M130 WeakPolarHBondContact OG-CG 3.48Å
94C97.9Very high95.9Very high0 Ų029.8 Ų29.80%015%0.152CC..Hα-helixtrans-59.1-40.2170.9-710000111.8L72 L73 I90 A91 A98L72-C94 HydrophobicContact CB-CB 4.2Å; L73-C94 HydrophobicContact CB-CB 4.47Å; I90-C94 PolarHBondContact O-N 3.26Å; I90-C94 PolarHBondContact O-SG 2.81Å; I90-C94 VanDerWaalsContact O-SG 3.38Å; A91-C94 PolarHBondContact O-N 3.12Å; C94-A98 VanDerWaalsContact O-CB 3.32Å; C94-A98 WeakPolarHBondContact O-CB 3.5Å; C94-A98 PolarHBondContact O-N 2.58Å
95F97.7Very high95.9Very high0 Ų035.2 Ų35.20%018%0.179CC..Hα-helixtrans-66.4-44.6178.1-172.9-101.5000112.5L52 L55 K56 L61 A69 A91 I92 S93 A98 A99 L114L52-F95 HydrophobicContact CD2-CB 3.8Å; L52-F95 HydrophobicContact CD2-CD2 4.08Å; L52-F95 HydrophobicContact CD2-CG 4.06Å; L55-F95 HydrophobicContact CB-CE1 4.18Å; L55-F95 HydrophobicContact CB-CZ 4.01Å; K56-F95 HydrophobicContact CB-CE2 4.21Å; K56-F95 HydrophobicContact CB-CZ 4.38Å; L61-F95 HydrophobicContact CD1-CE1 3.67Å; L61-F95 HydrophobicContact CD1-CE2 4.36Å; L61-F95 HydrophobicContact CD1-CZ 3.48Å; L61-F95 VanDerWaalsContact CD1-CZ 3.48Å; L61-F95 HydrophobicContact CG-CZ 4.45Å; A69-F95 HydrophobicContact CB-CB 4.26Å; A69-F95 HydrophobicContact CB-CD2 3.98Å; A91-F95 WeakPolarHBondContact O-CB 3.32Å; A91-F95 PolarHBondContact O-N 3.01Å; I92-F95 HydrophobicContact CD1-CD1 4.32Å; I92-F95 PolarHBondContact O-N 3.19Å; S93-F95 VanDerWaalsContact C-N 3.28Å; S93-F95 PolarHBondContact O-N 3.08Å; F95-A98 PolarHBondContact O-N 3.42Å; F95-A99 WeakPolarHBondContact O-CB 3.42Å; F95-A99 PolarHBondContact O-N 2.82Å; F95-L114 HydrophobicContact CD1-CD1 4.28Å; F95-L114 HydrophobicContact CE1-CD1 4.28Å
96F97.8Very high95.9Very high12 Ų1238.1 Ų38.15%0.05320%0.195CC..Hα-helixtrans-64-41.7175.5-175.1-127.5000112I92 S93 A99 K100 I108 L111 L114 I127 L128I92-F96 WeakPolarHBondContact O-CB 3.42Å; I92-F96 PolarHBondContact O-N 2.98Å; S93-F96 PolarHBondContact O-N 3.26Å; F96-A99 WeakPolarHBondContact O-CB 3.22Å; F96-A99 PolarHBondContact O-N 2.77Å; F96-K100 HydrophobicContact CE1-CD 4.34Å; F96-K100 HydrophobicContact CZ-CD 4.48Å; F96-K100 PolarHBondContact O-N 2.9Å; F96-I108 HydrophobicContact CE2-CG2 4.03Å; F96-L111 HydrophobicContact CD1-CD1 3.93Å; F96-L111 HydrophobicContact CD2-CD1 4.36Å; F96-L111 HydrophobicContact CE1-CB 4.39Å; F96-L111 HydrophobicContact CE1-CD1 3.8Å; F96-L111 HydrophobicContact CE1-CD2 4.15Å; F96-L111 HydrophobicContact CE1-CG 4.33Å; F96-L111 HydrophobicContact CE2-CB 4.32Å; F96-L111 HydrophobicContact CE2-CD1 4.29Å; F96-L111 HydrophobicContact CG-CD1 4.19Å; F96-L111 HydrophobicContact CZ-CB 3.9Å; F96-L111 HydrophobicContact CZ-CD1 4Å; F96-L111 HydrophobicContact CZ-CD2 4.45Å; F96-L111 HydrophobicContact CZ-CG 4.33Å; F96-L114 HydrophobicContact CB-CD2 3.76Å; F96-L114 HydrophobicContact CD2-CD2 3.65Å; F96-L114 HydrophobicContact CG-CD2 3.98Å; F96-I127 HydrophobicContact CD1-CG2 4.42Å; F96-L128 HydrophobicContact CE1-CD2 4.4Å
97L97.5Very high95.8Very high8 Ų840.3 Ų40.34%0.04220%0.203CC..Hα-helixtrans-63.5-44.2176.5-173.558.4000111.5L72 S93 A99 K100 T101 E131 I134 L135 L142L72-L97 HydrophobicContact CD1-CD2 4.29Å; L72-L97 HydrophobicContact CD1-CG 4.4Å; S93-L97 VanDerWaalsContact O-CB 3.28Å; S93-L97 WeakPolarHBondContact O-CB 3.49Å; S93-L97 PolarHBondContact O-N 3.33Å; L97-A99 VanDerWaalsContact C-N 3.33Å; L97-A99 PolarHBondContact O-N 3.44Å; L97-K100 PolarHBondContact O-N 3.16Å; L97-T101 WeakPolarHBondContact O-CG2 3.1Å; L97-T101 PolarHBondContact O-N 2.77Å; L97-T101 PolarHBondContact O-OG1 2.89Å; L97-E131 HydrophobicContact CD1-CG 4.27Å; L97-I134 HydrophobicContact CD2-CG2 4.17Å; L97-L135 HydrophobicContact CD1-CD1 4.44Å; L97-L135 HydrophobicContact CD1-CD2 4.16Å; L97-L135 HydrophobicContact CD1-CG 4.43Å; L97-L135 HydrophobicContact CD2-CD2 4.01Å; L97-L135 HydrophobicContact CD2-CG 4.12Å; L97-L142 HydrophobicContact CD1-CD1 3.77Å; L97-L142 HydrophobicContact CD2-CD1 3.99Å; L97-L142 HydrophobicContact CD2-CD2 3.58Å; L97-L142 HydrophobicContact CD2-CG 4.45Å; L97-L142 HydrophobicContact CG-CD1 3.81Å; L97-L142 HydrophobicContact CG-CD2 4.25Å
98A97.3Very high95.7Very high0 Ų041.8 Ų41.80%021%0.21CC..Hα-helixtrans-61.5-4117500000112.1T65 L68 A69 L72 C94 F95 K100 T101 V102T65-A98 HydrophobicContact CG2-CB 4.14Å; T65-A98 WeakPolarHBondContact O-CB 3.34Å; L68-A98 HydrophobicContact CB-CB 4.05Å; L68-A98 HydrophobicContact CD2-CB 4Å; L68-A98 HydrophobicContact CG-CB 3.89Å; A69-A98 HydrophobicContact CB-CB 3.79Å; L72-A98 HydrophobicContact CD1-CB 4.44Å; C94-A98 VanDerWaalsContact O-CB 3.32Å; C94-A98 WeakPolarHBondContact O-CB 3.5Å; C94-A98 PolarHBondContact O-N 2.58Å; F95-A98 PolarHBondContact O-N 3.42Å; A98-K100 VanDerWaalsContact C-N 3.35Å; A98-K100 PolarHBondContact O-N 2.92Å; A98-T101 WeakPolarHBondContact CA-OG1 3.49Å; A98-T101 PolarHBondContact O-N 2.82Å; A98-T101 VanDerWaalsContact O-N 3.13Å; A98-T101 PolarHBondContact O-OG1 3.26Å; A98-V102 PolarHBondContact O-N 3.4Å; A98-V102 VanDerWaalsContact O-N 3.08Å
99A96.9Very high95.6Very high0 Ų040.2 Ų40.20%020%0.199CC..Hα-helixtrans-59.9-45.4176.300000111L61 T65 F95 F96 L97 T101 V102 E103L61-A99 HydrophobicContact CD1-CB 4.18Å; T65-A99 HydrophobicContact CG2-CB 4.02Å; F95-A99 WeakPolarHBondContact O-CB 3.42Å; F95-A99 PolarHBondContact O-N 2.82Å; F96-A99 WeakPolarHBondContact O-CB 3.22Å; F96-A99 PolarHBondContact O-N 2.77Å; L97-A99 VanDerWaalsContact C-N 3.33Å; L97-A99 PolarHBondContact O-N 3.44Å; A99-T101 PolarHBondContact O-N 2.72Å; A99-V102 PolarHBondContact O-N 3.32Å; A99-E103 HydrophobicContact CB-CG 4.23Å; A99-E103 WeakPolarHBondContact O-CB 3.45Å; A99-E103 PolarHBondContact O-N 2.78Å
100K96.3Very high95.5Very high86 Ų8644.6 Ų44.637%0.37423%0.225SC..Hα-helixtrans-60.8-27.3175.6-71.4178.3179.8172.10114.6F96 L97 A98 I108 E131F96-K100 HydrophobicContact CE1-CD 4.34Å; F96-K100 HydrophobicContact CZ-CD 4.48Å; F96-K100 PolarHBondContact O-N 2.9Å; L97-K100 PolarHBondContact O-N 3.16Å; A98-K100 VanDerWaalsContact C-N 3.35Å; A98-K100 PolarHBondContact O-N 2.92Å; K100-I108 HydrophobicContact CG-CD1 4.35Å; K100-I108 HydrophobicContact CG-CG2 4.42Å; K100-E131 VanDerWaalsContact NZ-CD 3.29Å; K100-E131 IonicContact NZ-OE1 3.39Å; K100-E131 PolarHBondContact NZ-OE1 3.31Å; K100-E131 IonicContact NZ-OE2 2.69Å; K100-E131 PolarHBondContact NZ-OE2 3.43Å
101T95.5Very high95.4Very high66 Ų6645.5 Ų45.541%0.40523%0.23SC..Hα-helixtrans-90-26.4-176.651.50000114.3L68 L97 A98 A99 L142L68-T101 WeakPolarHBondContact CD2-OG1 3.27Å; L97-T101 WeakPolarHBondContact O-CG2 3.1Å; L97-T101 PolarHBondContact O-N 2.77Å; L97-T101 PolarHBondContact O-OG1 2.89Å; A98-T101 WeakPolarHBondContact CA-OG1 3.49Å; A98-T101 PolarHBondContact O-N 2.82Å; A98-T101 VanDerWaalsContact O-N 3.13Å; A98-T101 PolarHBondContact O-OG1 3.26Å; A99-T101 PolarHBondContact O-N 2.72Å; T101-L142 HydrophobicContact CG2-CD1 3.61Å
102V95.1Very high95.2Very high57 Ų5753.3 Ų53.335%0.34526%0.264SS..Hα-helixtrans-115.1-38.2-169.8173.10000112.1E64 T65 L68 A98 A99E64-V102 HydrophobicContact CB-CG1 3.67Å; T65-V102 WeakPolarHBondContact OG1-CG1 3.47Å; L68-V102 HydrophobicContact CD2-CG2 3.61Å; A98-V102 PolarHBondContact O-N 3.4Å; A98-V102 VanDerWaalsContact O-N 3.08Å; A99-V102 PolarHBondContact O-N 3.32Å
103E95.4Very high95.1Very high12 Ų1255.7 Ų55.76%0.05628%0.278CS..SBendtrans-80.8155.9-177.3-57.1-70.8152.200111.4L61 Y62 T65 A99 R107 I108L61-E103 WeakPolarHBondContact CB-OE1 3.49Å; L61-E103 HydrophobicContact CD2-CG 4.1Å; Y62-E103 WeakPolarHBondContact CB-OE1 3.48Å; Y62-E103 VanDerWaalsContact CD2-CD 3.47Å; Y62-E103 WeakPolarHBondContact CD2-OE1 3.46Å; Y62-E103 WeakPolarHBondContact CD2-OE2 3.22Å; Y62-E103 WeakPolarHBondContact CE2-OE2 3.43Å; Y62-E103 PolarHBondContact N-OE1 2.95Å; T65-E103 WeakPolarHBondContact CB-OE1 3.39Å; T65-E103 HydrophobicContact CG2-CG 4.47Å; T65-E103 WeakPolarHBondContact OG1-CG 3.47Å; T65-E103 PolarHBondContact OG1-OE1 3.43Å; A99-E103 HydrophobicContact CB-CG 4.23Å; A99-E103 WeakPolarHBondContact O-CB 3.45Å; A99-E103 PolarHBondContact O-N 2.78Å; E103-R107 HydrophobicContact CB-CB 4.19Å; E103-R107 IonicContact OE2-NE 3.07Å; E103-I108 HydrophobicContact CB-CG1 4.07Å
104E93.7Very high94.9Very high121 Ų12155.7 Ų55.757%0.56528%0.278SS*.  trans-70.5150.2166.6-61.7171.5171.200110.2E106 R107 I108E104-E106 PolarHBondContact O-N 3.47Å; E104-R107 HydrophobicContact CB-CG 4.46Å; E104-R107 PolarHBondContact O-N 3.41Å; E104-I108 PolarHBondContact O-N 2.98Å
105D89.8Confident94.8Very high146 Ų14656.2 Ų56.278%0.78128%0.283SS*.THydrogen-bonded Turntrans-52.8-34.6-174.8-74.4-22.4000113.8R107 I108D105-R107 VanDerWaalsContact C-N 3.31Å; D105-R107 PolarHBondContact O-N 3.02Å; D105-I108 PolarHBondContact O-N 2.9Å
106E89.9Confident94.7Very high189 Ų18964 Ų6488%0.88331%0.312SS*.THydrogen-bonded Turntrans-70.9-24.2179.1-59.5-176.9179.400113.6E104E104-E106 PolarHBondContact O-N 3.47Å
107R90.8Very high94.5Very high85 Ų8565.4 Ų65.432%0.32132%0.321SS..THydrogen-bonded Turntrans-91.7-16.8-179.7-57.3-1707784.13.9112.6N60 E103 E104 D105 P109N60-R107 PolarHBondContact ND2-NH2 3.36Å; N60-R107 PolarHBondContact O-NH2 2.93Å; E103-R107 HydrophobicContact CB-CB 4.19Å; E103-R107 IonicContact OE2-NE 3.07Å; E104-R107 HydrophobicContact CB-CG 4.46Å; E104-R107 PolarHBondContact O-N 3.41Å; D105-R107 VanDerWaalsContact C-N 3.31Å; D105-R107 PolarHBondContact O-N 3.02Å; R107-P109 WeakPolarHBondContact O-CD 3.36Å
108I94.7Very high94.3Very high35 Ų3565.1 Ų65.118%0.17932%0.319CS..SBendtrans-65.7121179-59.7171000108.9F96 K100 E103 E104 D105 V110F96-I108 HydrophobicContact CE2-CG2 4.03Å; K100-I108 HydrophobicContact CG-CD1 4.35Å; K100-I108 HydrophobicContact CG-CG2 4.42Å; E103-I108 HydrophobicContact CB-CG1 4.07Å; E104-I108 PolarHBondContact O-N 2.98Å; D105-I108 PolarHBondContact O-N 2.9Å; I108-V110 PolarHBondContact O-N 3.43Å
109P92.1Very high94.1Very high15 Ų1573.6 Ų73.610%0.09736%0.356CS..PPolyproline II helixtrans-66.6135.6-179.927.3-33.8000110.4F59 R107 L111 L114F59-P109 HydrophobicContact CD1-CB 3.83Å; F59-P109 HydrophobicContact CD1-CG 4.46Å; F59-P109 HydrophobicContact CE1-CB 4.03Å; R107-P109 WeakPolarHBondContact O-CD 3.36Å; P109-L111 PolarHBondContact O-N 2.86Å; P109-L114 HydrophobicContact CB-CB 4.27Å; P109-L114 HydrophobicContact CG-CB 4.36Å; P109-L114 HydrophobicContact CG-CD1 4.07Å; P109-L114 HydrophobicContact CG-CD2 4.27Å; P109-L114 HydrophobicContact CG-CG 4.47Å
110V95.1Very high93.7Very high101 Ų10174.1 Ų74.161%0.61236%0.36SS*.PPolyproline II helixtrans-56.6128.1173.3177.70000109I108 K112 V113 L114I108-V110 PolarHBondContact O-N 3.43Å; V110-K112 VanDerWaalsContact C-N 3.26Å; V110-K112 PolarHBondContact O-N 3.31Å; V110-K112 VanDerWaalsContact O-N 3.09Å; V110-V113 HydrophobicContact CB-CB 4.31Å; V110-V113 HydrophobicContact CB-CG2 4.02Å; V110-V113 HydrophobicContact CG1-CG2 4.41Å; V110-V113 CarbonylContact O-C 3.53Å; V110-V113 WeakPolarHBondContact O-CA 3.09Å; V110-V113 WeakPolarHBondContact O-CB 3.12Å; V110-V113 PolarHBondContact O-N 3.21Å; V110-L114 PolarHBondContact O-N 3.42Å
111L95.3Very high93.5Very high23 Ų2373.7 Ų73.712%0.1238%0.38CS..Hα-helixtrans-54.8-38.1-170.5-179.259.5000114.2F96 P109 V113 L114 A115 I127 L128F96-L111 HydrophobicContact CD1-CD1 3.93Å; F96-L111 HydrophobicContact CD2-CD1 4.36Å; F96-L111 HydrophobicContact CE1-CB 4.39Å; F96-L111 HydrophobicContact CE1-CD1 3.8Å; F96-L111 HydrophobicContact CE1-CD2 4.15Å; F96-L111 HydrophobicContact CE1-CG 4.33Å; F96-L111 HydrophobicContact CE2-CB 4.32Å; F96-L111 HydrophobicContact CE2-CD1 4.29Å; F96-L111 HydrophobicContact CG-CD1 4.19Å; F96-L111 HydrophobicContact CZ-CB 3.9Å; F96-L111 HydrophobicContact CZ-CD1 4Å; F96-L111 HydrophobicContact CZ-CD2 4.45Å; F96-L111 HydrophobicContact CZ-CG 4.33Å; P109-L111 PolarHBondContact O-N 2.86Å; L111-V113 VanDerWaalsContact C-N 3.34Å; L111-L114 PolarHBondContact O-N 3.32Å; L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 2.72Å; L111-I127 HydrophobicContact CD1-CB 4.08Å; L111-I127 HydrophobicContact CD1-CD1 4Å; L111-I127 HydrophobicContact CD1-CG2 3.68Å; L111-L128 HydrophobicContact CD2-CD1 3.95Å; L111-L128 HydrophobicContact CD2-CD2 3.66Å; L111-L128 HydrophobicContact CD2-CG 3.53Å
112K94.8Very high93.4Very high164 Ų16471.6 Ų71.671%0.71337%0.367SS*.Hα-helixtrans-64.3-38.7176-68.6-176.3179.5-179.20112.3V110 R116V110-K112 VanDerWaalsContact C-N 3.26Å; V110-K112 PolarHBondContact O-N 3.31Å; V110-K112 VanDerWaalsContact O-N 3.09Å; K112-R116 WeakPolarHBondContact O-CB 3.5Å; K112-R116 PolarHBondContact O-N 3.13Å; K112-R116 VanDerWaalsContact O-N 3.17Å
113V95.1Very high93.4Very high49 Ų4971.2 Ų71.230%0.29737%0.367SS..Hα-helixtrans-70-44.9176.7179.10000109.6F59 V110 L111 A115 R116 D117F59-V113 HydrophobicContact CE1-CG1 4.48Å; V110-V113 HydrophobicContact CB-CB 4.31Å; V110-V113 HydrophobicContact CB-CG2 4.02Å; V110-V113 HydrophobicContact CG1-CG2 4.41Å; V110-V113 CarbonylContact O-C 3.53Å; V110-V113 WeakPolarHBondContact O-CA 3.09Å; V110-V113 WeakPolarHBondContact O-CB 3.12Å; V110-V113 PolarHBondContact O-N 3.21Å; L111-V113 VanDerWaalsContact C-N 3.34Å; V113-A115 PolarHBondContact O-N 2.88Å; V113-R116 PolarHBondContact O-N 3.22Å; V113-D117 VanDerWaalsContact CG1-OD2 3.22Å; V113-D117 WeakPolarHBondContact CG1-OD2 3.48Å; V113-D117 WeakPolarHBondContact O-CB 3.32Å; V113-D117 PolarHBondContact O-N 3.46Å
114L95.3Very high93.4Very high0 Ų072 Ų720%037%0.374CS..Hα-helixtrans-57.9-48.6175.8-177.464.5000111.7F59 I92 F95 F96 P109 V110 L111 R116 S118F59-L114 HydrophobicContact CD2-CD1 4.13Å; F59-L114 HydrophobicContact CE1-CD1 4.37Å; F59-L114 HydrophobicContact CE2-CD1 3.58Å; F59-L114 HydrophobicContact CZ-CD1 3.72Å; I92-L114 HydrophobicContact CD1-CD1 3.88Å; I92-L114 HydrophobicContact CD1-CD2 4.23Å; I92-L114 HydrophobicContact CD1-CG 3.96Å; I92-L114 HydrophobicContact CG1-CD2 4.28Å; I92-L114 HydrophobicContact CG1-CG 4.2Å; F95-L114 HydrophobicContact CD1-CD1 4.28Å; F95-L114 HydrophobicContact CE1-CD1 4.28Å; F96-L114 HydrophobicContact CB-CD2 3.76Å; F96-L114 HydrophobicContact CD2-CD2 3.65Å; F96-L114 HydrophobicContact CG-CD2 3.98Å; P109-L114 HydrophobicContact CB-CB 4.27Å; P109-L114 HydrophobicContact CG-CB 4.36Å; P109-L114 HydrophobicContact CG-CD1 4.07Å; P109-L114 HydrophobicContact CG-CD2 4.27Å; P109-L114 HydrophobicContact CG-CG 4.47Å; V110-L114 PolarHBondContact O-N 3.42Å; L111-L114 PolarHBondContact O-N 3.32Å; L114-R116 PolarHBondContact O-N 3.46Å; L114-S118 WeakPolarHBondContact O-CB 3.43Å; L114-S118 PolarHBondContact O-N 3.27Å; L114-S118 PolarHBondContact O-OG 3.26Å
115A95.1Very high93.5Very high12 Ų1270.2 Ų70.210%0.09938%0.375CS..Hα-helixtrans-59.4-45.2179.300000112.1L111 V113 S118 I127L111-A115 WeakPolarHBondContact O-CB 3.48Å; L111-A115 PolarHBondContact O-N 2.72Å; V113-A115 PolarHBondContact O-N 2.88Å; A115-S118 PolarHBondContact O-OG 3.38Å; A115-I127 HydrophobicContact CB-CD1 3.75Å
116R95.2Very high93.8Very high162 Ų16265 Ų6561%0.61135%0.346SS*.Hα-helixtrans-68.7-52.3-179.9-174.1-170.167.7-160.3-5.3112.3K112 V113 L114 F119K112-R116 WeakPolarHBondContact O-CB 3.5Å; K112-R116 PolarHBondContact O-N 3.13Å; K112-R116 VanDerWaalsContact O-N 3.17Å; V113-R116 PolarHBondContact O-N 3.22Å; L114-R116 PolarHBondContact O-N 3.46Å; R116-F119 PolarHBondContact O-N 3.47Å
117D94.7Very high94.2Very high43 Ų4356 Ų5623%0.2330%0.304CS..Hα-helixtrans-83.6-15.7-168.2-63.2-6.5000112.7Q58 F59 V113 F119Q58-D117 PolarHBondContact NE2-O 3.44Å; F59-D117 HydrophobicContact CZ-CB 3.96Å; V113-D117 VanDerWaalsContact CG1-OD2 3.22Å; V113-D117 WeakPolarHBondContact CG1-OD2 3.48Å; V113-D117 WeakPolarHBondContact O-CB 3.32Å; V113-D117 PolarHBondContact O-N 3.46Å; D117-F119 VanDerWaalsContact C-N 3.31Å; D117-F119 WeakPolarHBondContact O-CD2 3.34Å; D117-F119 WeakPolarHBondContact O-CE2 3.44Å
118S92.9Very high94.5Very high1 Ų155.9 Ų55.91%0.00731%0.309CS..THydrogen-bonded Turntrans-78.1-15.2171.863.30000113.7W51 L114 A115 C120W51-S118 VanDerWaalsContact CZ2-O 3.31Å; W51-S118 WeakPolarHBondContact CZ2-O 3.28Å; W51-S118 PolarHBondContact NE1-O 3.3Å; L114-S118 WeakPolarHBondContact O-CB 3.43Å; L114-S118 PolarHBondContact O-N 3.27Å; L114-S118 PolarHBondContact O-OG 3.26Å; A115-S118 PolarHBondContact O-OG 3.38Å; S118-C120 PolarHBondContact O-N 3.04Å; S118-C120 WeakPolarHBondContact OG-CB 3.35Å; S118-C120 PolarHBondContact OG-N 3.34Å; S118-C120 PolarHBondContact OG-SG 2.95Å; S118-C120 VanDerWaalsContact OG-SG 3.4Å
119F92.4Very high94.6Very high179 Ų17957.9 Ų57.979%0.78532%0.315SS*.THydrogen-bonded Turntrans53.430.6-172-55.7-83.7000113.3R116 D117 G121R116-F119 PolarHBondContact O-N 3.47Å; D117-F119 VanDerWaalsContact C-N 3.31Å; D117-F119 WeakPolarHBondContact O-CD2 3.34Å; D117-F119 WeakPolarHBondContact O-CE2 3.44Å; F119-G121 PolarHBondContact O-N 3.35Å
120C89.3Confident94.9Very high10 Ų1057.8 Ų57.87%0.06831%0.313CS..  trans-69.1-11.8-178.265.80000114.3W51 I92 S118 C122W51-C120 HydrophobicContact CH2-CB 3.65Å; W51-C120 HydrophobicContact CZ2-CB 3.79Å; I92-C120 HydrophobicContact CB-CB 4.28Å; I92-C120 HydrophobicContact CG1-CB 4.4Å; I92-C120 HydrophobicContact CG2-CB 4.22Å; S118-C120 PolarHBondContact O-N 3.04Å; S118-C120 WeakPolarHBondContact OG-CB 3.35Å; S118-C120 PolarHBondContact OG-N 3.34Å; S118-C120 PolarHBondContact OG-SG 2.95Å; S118-C120 VanDerWaalsContact OG-SG 3.4Å; C120-C122 PolarHBondContact O-N 3.08Å; C120-C122 PolarHBondContact O-SG 2.71Å; C120-C122 VanDerWaalsContact O-SG 3.38Å; C120-C122 PolarHBondContact SG-N 3.44Å
121G91.4Very high95Very high78 Ų7853.8 Ų53.880%0.80429%0.288SS*.SBendtrans71.411-176.900000114.5F119F119-G121 PolarHBondContact O-N 3.35Å
122C92.6Very high95.1Very high21 Ų2161 Ų6114%0.14231%0.313CS..  trans-111.5143.9-177.8-52.90000111C89 C120 E126 I127C89-C122 VanDerWaalsContact CA-SG 3.6Å; C89-C122 WeakPolarHBondContact CB-SG 3.28Å; C120-C122 PolarHBondContact O-N 3.08Å; C120-C122 PolarHBondContact O-SG 2.71Å; C120-C122 VanDerWaalsContact O-SG 3.38Å; C120-C122 PolarHBondContact SG-N 3.44Å; C122-E126 HydrophobicContact CB-CB 4.46Å; C122-I127 HydrophobicContact CB-CD1 4.49Å; C122-I127 HydrophobicContact CB-CG1 4.09Å
123S95.4Very high95.2Very high49 Ų4955.4 Ų55.434%0.34329%0.291SS..  trans-76.5159.2169.465.30000111.7S125 E126 I127S123-S125 PolarHBondContact O-N 3.4Å; S123-S125 PolarHBondContact OG-OG 3.41Å; S123-S125 VanDerWaalsContact OG-OG 3.05Å; S123-E126 WeakPolarHBondContact CB-OE2 3.15Å; S123-E126 PolarHBondContact N-OE2 3.4Å; S123-E126 PolarHBondContact O-N 3.4Å; S123-E126 VanDerWaalsContact OG-CD 3.29Å; S123-E126 VanDerWaalsContact OG-CG 3.26Å; S123-E126 WeakPolarHBondContact OG-CG 3.44Å; S123-E126 PolarHBondContact OG-N 2.96Å; S123-E126 PolarHBondContact OG-OE2 3.33Å; S123-I127 WeakPolarHBondContact O-CG1 3.25Å; S123-I127 PolarHBondContact O-N 2.68Å; S123-I127 VanDerWaalsContact O-N 3.12Å
124S96.3Very high95.3Very high29 Ų2953 Ų5320%0.20328%0.276CS..Hα-helixtrans-60.4-33.3177.3-57.40000113.1I127 L128S124-I127 PolarHBondContact O-N 3.02Å; S124-L128 WeakPolarHBondContact O-CG 3.42Å; S124-L128 PolarHBondContact O-N 2.58Å
125S96.4Very high95.4Very high84 Ų8453.9 Ų53.959%0.58728%0.281SS*.Hα-helixtrans-67.6-40.2176.848.50000111.9S123 I127 L128 R129S123-S125 PolarHBondContact O-N 3.4Å; S123-S125 PolarHBondContact OG-OG 3.41Å; S123-S125 VanDerWaalsContact OG-OG 3.05Å; S125-I127 VanDerWaalsContact C-N 3.35Å; S125-L128 PolarHBondContact O-N 3.21Å; S125-R129 WeakPolarHBondContact O-CB 3.34Å; S125-R129 PolarHBondContact O-N 3.46Å
126E96.2Very high95.5Very high37 Ų3757.3 Ų57.317%0.17330%0.297CS..Hα-helixtrans-63.2-41.3174.6-72.3165.8125.500111.8C122 S123 R129 M130 Y341C122-E126 HydrophobicContact CB-CB 4.46Å; S123-E126 WeakPolarHBondContact CB-OE2 3.15Å; S123-E126 PolarHBondContact N-OE2 3.4Å; S123-E126 PolarHBondContact O-N 3.4Å; S123-E126 VanDerWaalsContact OG-CD 3.29Å; S123-E126 VanDerWaalsContact OG-CG 3.26Å; S123-E126 WeakPolarHBondContact OG-CG 3.44Å; S123-E126 PolarHBondContact OG-N 2.96Å; S123-E126 PolarHBondContact OG-OE2 3.33Å; E126-R129 PolarHBondContact O-N 3.32Å; E126-M130 WeakPolarHBondContact O-CB 3.43Å; E126-M130 PolarHBondContact O-N 2.74Å; E126-Y341 VanDerWaalsContact OE1-CE1 3.31Å; E126-Y341 WeakPolarHBondContact OE1-CE1 3.4Å; E126-Y341 VanDerWaalsContact OE1-CZ 3.28Å; E126-Y341 PolarHBondContact OE1-OH 3.48Å
127I97.4Very high95.4Very high0 Ų054.6 Ų54.60%029%0.29CS..Hα-helixtrans-63.3-46.5176.9-61.5171.9000110.7I92 S93 F96 L111 A115 C122 S123 S124 S125 R129 M130 E131I92-I127 HydrophobicContact CG1-CD1 4.41Å; I92-I127 HydrophobicContact CG2-CD1 3.95Å; I92-I127 HydrophobicContact CG2-CG1 3.85Å; S93-I127 PolarHBondContact OG-O 2.94Å; F96-I127 HydrophobicContact CD1-CG2 4.42Å; L111-I127 HydrophobicContact CD1-CB 4.08Å; L111-I127 HydrophobicContact CD1-CD1 4Å; L111-I127 HydrophobicContact CD1-CG2 3.68Å; A115-I127 HydrophobicContact CB-CD1 3.75Å; C122-I127 HydrophobicContact CB-CD1 4.49Å; C122-I127 HydrophobicContact CB-CG1 4.09Å; S123-I127 WeakPolarHBondContact O-CG1 3.25Å; S123-I127 PolarHBondContact O-N 2.68Å; S123-I127 VanDerWaalsContact O-N 3.12Å; S124-I127 PolarHBondContact O-N 3.02Å; S125-I127 VanDerWaalsContact C-N 3.35Å; I127-R129 VanDerWaalsContact C-N 3.32Å; I127-R129 PolarHBondContact O-N 3.26Å; I127-M130 PolarHBondContact O-N 2.98Å; I127-E131 WeakPolarHBondContact O-CB 3.36Å; I127-E131 PolarHBondContact O-N 3.22Å
128L97.6Very high95.3Very high81 Ų8152.9 Ų52.942%0.42428%0.281SS..Hα-helixtrans-63.8-37.4177.3-70.6173.5000112.6F96 L111 S124 S125 E131 R132F96-L128 HydrophobicContact CE1-CD2 4.4Å; L111-L128 HydrophobicContact CD2-CD1 3.95Å; L111-L128 HydrophobicContact CD2-CD2 3.66Å; L111-L128 HydrophobicContact CD2-CG 3.53Å; S124-L128 WeakPolarHBondContact O-CG 3.42Å; S124-L128 PolarHBondContact O-N 2.58Å; S125-L128 PolarHBondContact O-N 3.21Å; L128-E131 WeakPolarHBondContact CD2-OE2 3.37Å; L128-R132 PolarHBondContact O-N 2.84Å
129R97.1Very high95.4Very high77 Ų7759.4 Ų59.429%0.29132%0.316SS..Hα-helixtrans-65.2-45.1176-172.3-17965.780.60.7110.7S125 E126 I127 R132 I133S125-R129 WeakPolarHBondContact O-CB 3.34Å; S125-R129 PolarHBondContact O-N 3.46Å; E126-R129 PolarHBondContact O-N 3.32Å; I127-R129 VanDerWaalsContact C-N 3.32Å; I127-R129 PolarHBondContact O-N 3.26Å; R129-R132 PolarHBondContact O-N 3.22Å; R129-I133 HydrophobicContact CG-CD1 4.4Å; R129-I133 WeakPolarHBondContact O-CG1 3.37Å; R129-I133 PolarHBondContact O-N 3.41Å
130M97.8Very high95.4Very high13 Ų1359 Ų596%0.06431%0.309CS..Hα-helixtrans-67.5-38.6178-176.159.471.600112F76 I90 S93 E126 I127 R132 I133 I134F76-M130 HydrophobicContact CZ-SD 4.49Å; I90-M130 HydrophobicContact CG1-CE 3.75Å; I90-M130 HydrophobicContact CG1-CG 4.24Å; I90-M130 HydrophobicContact CG1-SD 3.67Å; S93-M130 WeakPolarHBondContact OG-CB 3Å; S93-M130 WeakPolarHBondContact OG-CG 3.48Å; E126-M130 WeakPolarHBondContact O-CB 3.43Å; E126-M130 PolarHBondContact O-N 2.74Å; I127-M130 PolarHBondContact O-N 2.98Å; M130-R132 VanDerWaalsContact C-N 3.32Å; M130-R132 PolarHBondContact O-N 3.45Å; M130-I133 PolarHBondContact O-N 3.49Å; M130-I133 HydrophobicContact SD-CB 4.46Å; M130-I134 HydrophobicContact CG-CD1 3.89Å; M130-I134 HydrophobicContact CG-CG1 4.42Å; M130-I134 VanDerWaalsContact O-CG1 3.31Å; M130-I134 WeakPolarHBondContact O-CG1 3.35Å; M130-I134 PolarHBondContact O-N 2.74Å; M130-I134 HydrophobicContact SD-CD1 4.47Å; M130-I134 HydrophobicContact SD-CG1 4.42Å
131E97.5Very high95.5Very high17 Ų1760.8 Ų60.88%0.07932%0.318CS..Hα-helixtrans-53.2-48.5172.1175.9179.1-139.100111.3L97 K100 I127 L128 I133 I134 L135L97-E131 HydrophobicContact CD1-CG 4.27Å; K100-E131 VanDerWaalsContact NZ-CD 3.29Å; K100-E131 IonicContact NZ-OE1 3.39Å; K100-E131 PolarHBondContact NZ-OE1 3.31Å; K100-E131 IonicContact NZ-OE2 2.69Å; K100-E131 PolarHBondContact NZ-OE2 3.43Å; I127-E131 WeakPolarHBondContact O-CB 3.36Å; I127-E131 PolarHBondContact O-N 3.22Å; L128-E131 WeakPolarHBondContact CD2-OE2 3.37Å; E131-I133 PolarHBondContact O-N 3.45Å; E131-I134 PolarHBondContact O-N 2.97Å; E131-L135 HydrophobicContact CG-CD1 4.08Å; E131-L135 WeakPolarHBondContact O-CG 3.42Å; E131-L135 PolarHBondContact O-N 3.19Å
132R97.4Very high95.5Very high175 Ų17558.1 Ų58.166%0.6629%0.285SS*.Hα-helixtrans-61.8-43.6177.4-169.1176.2-60.4-150.2-0.9112.3L128 R129 M130 I134 L135 D136L128-R132 PolarHBondContact O-N 2.84Å; R129-R132 PolarHBondContact O-N 3.22Å; M130-R132 VanDerWaalsContact C-N 3.32Å; M130-R132 PolarHBondContact O-N 3.45Å; R132-I134 VanDerWaalsContact C-N 3.31Å; R132-I134 PolarHBondContact O-N 3.25Å; R132-L135 PolarHBondContact O-N 3.43Å; R132-D136 VanDerWaalsContact O-CG 3.29Å; R132-D136 PolarHBondContact O-N 2.94Å
133I97.3Very high95.1Very high46 Ų4664.4 Ų64.424%0.23631%0.312CS..Hα-helixtrans-60.8-42.7177.1-66.5165.7000110.8F76 R129 M130 E131 D136 K137F76-I133 HydrophobicContact CE2-CG2 4.17Å; F76-I133 HydrophobicContact CZ-CG2 4.2Å; R129-I133 HydrophobicContact CG-CD1 4.4Å; R129-I133 WeakPolarHBondContact O-CG1 3.37Å; R129-I133 PolarHBondContact O-N 3.41Å; M130-I133 PolarHBondContact O-N 3.49Å; M130-I133 HydrophobicContact SD-CB 4.46Å; E131-I133 PolarHBondContact O-N 3.45Å; I133-D136 PolarHBondContact O-N 3.04Å; I133-K137 HydrophobicContact CG2-CG 4.31Å; I133-K137 WeakPolarHBondContact O-CB 3.48Å; I133-K137 VanDerWaalsContact O-CG 3.24Å; I133-K137 WeakPolarHBondContact O-CG 3.21Å; I133-K137 PolarHBondContact O-N 3.35Å
134I97.1Very high94.6Very high0 Ų063.4 Ų63.40%030%0.304CS..Hα-helixtrans-62.6-48.5177.6-68.7159.8000110.1F76 I90 L97 M130 E131 R132 D136 K137 L138F76-I134 HydrophobicContact CD2-CB 4.2Å; F76-I134 HydrophobicContact CD2-CG1 3.76Å; F76-I134 HydrophobicContact CD2-CG2 4.31Å; F76-I134 HydrophobicContact CE2-CB 4.36Å; F76-I134 HydrophobicContact CE2-CG1 3.79Å; F76-I134 HydrophobicContact CG-CG1 4.22Å; F76-I134 HydrophobicContact CZ-CG1 4.27Å; I90-I134 HydrophobicContact CG2-CD1 4.37Å; L97-I134 HydrophobicContact CD2-CG2 4.17Å; M130-I134 HydrophobicContact CG-CD1 3.89Å; M130-I134 HydrophobicContact CG-CG1 4.42Å; M130-I134 VanDerWaalsContact O-CG1 3.31Å; M130-I134 WeakPolarHBondContact O-CG1 3.35Å; M130-I134 PolarHBondContact O-N 2.74Å; M130-I134 HydrophobicContact SD-CD1 4.47Å; M130-I134 HydrophobicContact SD-CG1 4.42Å; E131-I134 PolarHBondContact O-N 2.97Å; R132-I134 VanDerWaalsContact C-N 3.31Å; R132-I134 PolarHBondContact O-N 3.25Å; I134-D136 PolarHBondContact O-N 3.24Å; I134-K137 PolarHBondContact O-N 2.84Å; I134-L138 HydrophobicContact CG2-CD1 3.77Å; I134-L138 HydrophobicContact CG2-CG 4.33Å; I134-L138 WeakPolarHBondContact O-CB 3.49Å; I134-L138 VanDerWaalsContact O-CG 3.3Å; I134-L138 WeakPolarHBondContact O-CG 3.43Å; I134-L138 PolarHBondContact O-N 3.18Å
135L97.2Very high94.4Very high17 Ų1762.6 Ų62.69%0.08930%0.299CS..Hα-helixtrans-56.2-49.4177.3-76.2165.5000111.7L97 E131 R132 K137 L138 N139 W140 L142L97-L135 HydrophobicContact CD1-CD1 4.44Å; L97-L135 HydrophobicContact CD1-CD2 4.16Å; L97-L135 HydrophobicContact CD1-CG 4.43Å; L97-L135 HydrophobicContact CD2-CD2 4.01Å; L97-L135 HydrophobicContact CD2-CG 4.12Å; E131-L135 HydrophobicContact CG-CD1 4.08Å; E131-L135 WeakPolarHBondContact O-CG 3.42Å; E131-L135 PolarHBondContact O-N 3.19Å; R132-L135 PolarHBondContact O-N 3.43Å; L135-K137 PolarHBondContact O-N 3.35Å; L135-L138 CarbonylContact O-C 3.6Å; L135-L138 PolarHBondContact O-N 2.96Å; L135-N139 PolarHBondContact O-N 3.42Å; L135-N139 VanDerWaalsContact O-N 3.08Å; L135-W140 HydrophobicContact CB-CD2 4.19Å; L135-W140 HydrophobicContact CB-CZ2 4.3Å; L135-W140 HydrophobicContact CD1-CE3 4.37Å; L135-W140 HydrophobicContact CD1-CH2 4Å; L135-W140 HydrophobicContact CD1-CZ2 4.42Å; L135-W140 HydrophobicContact CD1-CZ3 3.96Å; L135-W140 HydrophobicContact CD2-CD2 4.26Å; L135-W140 HydrophobicContact CD2-CE3 3.94Å; L135-W140 HydrophobicContact CD2-CZ3 4.31Å; L135-W140 PolarHBondContact O-N 2.92Å; L135-L142 HydrophobicContact CD2-CD1 3.94Å; L135-L142 HydrophobicContact CD2-CD2 3.99Å; L135-L142 HydrophobicContact CD2-CG 4.19Å
136D96.5Very high94.2Very high84 Ų8458.9 Ų58.945%0.44927%0.273SS..Hα-helixtrans-63.9-42.4-179.5-68.5-22.8000111.7R132 I133 I134 L138 N139 W140R132-D136 VanDerWaalsContact O-CG 3.29Å; R132-D136 PolarHBondContact O-N 2.94Å; I133-D136 PolarHBondContact O-N 3.04Å; I134-D136 PolarHBondContact O-N 3.24Å; D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 2.76Å; D136-N139 PolarHBondContact O-N 2.93Å; D136-W140 PolarHBondContact OD1-NE1 3.07Å
137K93.7Very high94.1Very high105 Ų10557.9 Ų57.946%0.45727%0.27SS..Hα-helixtrans-70.9-24.7178.8-68.8-62.7-179.9-169.10113.7F76 V80 I133 I134 L135F76-K137 HydrophobicContact CD2-CB 4.16Å; F76-K137 HydrophobicContact CE2-CB 3.96Å; F76-K137 HydrophobicContact CE2-CG 4.02Å; V80-K137 HydrophobicContact CG2-CB 4.37Å; V80-K137 HydrophobicContact CG2-CD 4.11Å; V80-K137 HydrophobicContact CG2-CG 3.97Å; I133-K137 HydrophobicContact CG2-CG 4.31Å; I133-K137 WeakPolarHBondContact O-CB 3.48Å; I133-K137 VanDerWaalsContact O-CG 3.24Å; I133-K137 WeakPolarHBondContact O-CG 3.21Å; I133-K137 PolarHBondContact O-N 3.35Å; I134-K137 PolarHBondContact O-N 2.84Å; L135-K137 PolarHBondContact O-N 3.35Å
138L92.7Very high94Very high8 Ų857.9 Ų57.94%0.04227%0.27CS..THydrogen-bonded Turntrans-94.28.1174.4-61.6-176.9000112.6L72 R75 I134 L135 D136 W140 D141 L142L72-L138 HydrophobicContact CD2-CD1 3.76Å; R75-L138 HydrophobicContact CB-CD2 3.96Å; I134-L138 HydrophobicContact CG2-CD1 3.77Å; I134-L138 HydrophobicContact CG2-CG 4.33Å; I134-L138 WeakPolarHBondContact O-CB 3.49Å; I134-L138 VanDerWaalsContact O-CG 3.3Å; I134-L138 WeakPolarHBondContact O-CG 3.43Å; I134-L138 PolarHBondContact O-N 3.18Å; L135-L138 CarbonylContact O-C 3.6Å; L135-L138 PolarHBondContact O-N 2.96Å; D136-L138 VanDerWaalsContact C-N 3.3Å; D136-L138 PolarHBondContact O-N 2.76Å; L138-W140 PolarHBondContact O-N 3.46Å; L138-D141 WeakPolarHBondContact O-CB 3.43Å; L138-D141 PolarHBondContact O-N 3.31Å; L138-L142 HydrophobicContact CD1-CD2 4.49Å
139N93.3Very high93.8Very high138 Ų13856.8 Ų56.874%0.73826%0.264SS*.THydrogen-bonded Turntrans52.438.1-176.6-56.9-47.9000112.9L135 D136 D141L135-N139 PolarHBondContact O-N 3.42Å; L135-N139 VanDerWaalsContact O-N 3.08Å; D136-N139 PolarHBondContact O-N 2.93Å; N139-D141 PolarHBondContact O-N 3.26Å
140W93.9Very high93.7Very high169 Ų16953.1 Ų53.164%0.6425%0.25SS*.THydrogen-bonded Turntrans59.412.9-176.6-65.471.1000114.2L135 D136 L138 L142L135-W140 HydrophobicContact CB-CD2 4.19Å; L135-W140 HydrophobicContact CB-CZ2 4.3Å; L135-W140 HydrophobicContact CD1-CE3 4.37Å; L135-W140 HydrophobicContact CD1-CH2 4Å; L135-W140 HydrophobicContact CD1-CZ2 4.42Å; L135-W140 HydrophobicContact CD1-CZ3 3.96Å; L135-W140 HydrophobicContact CD2-CD2 4.26Å; L135-W140 HydrophobicContact CD2-CE3 3.94Å; L135-W140 HydrophobicContact CD2-CZ3 4.31Å; L135-W140 PolarHBondContact O-N 2.92Å; D136-W140 PolarHBondContact OD1-NE1 3.07Å; L138-W140 PolarHBondContact O-N 3.46Å; W140-L142 PolarHBondContact O-N 3.44Å
141D91.9Very high93.6Very high48 Ų4852.5 Ų52.526%0.25725%0.247SC..  trans-92.990.7-178-169.83.6000111.6R22 R75 L138 N139 H143R22-D141 IonicContact CZ-OD1 3.89Å; R22-D141 IonicContact CZ-OD2 3.96Å; R22-D141 IonicContact NH1-OD2 3.4Å; R22-D141 PolarHBondContact NH1-OD2 2.95Å; R22-D141 IonicContact NH2-OD1 3.56Å; R22-D141 PolarHBondContact NH2-OD1 3.44Å; R22-D141 IonicContact NH2-OD2 2.68Å; R22-D141 PolarHBondContact NH2-OD2 3.42Å; R75-D141 VanDerWaalsContact CZ-O 3.26Å; R75-D141 PolarHBondContact NH1-O 2.92Å; R75-D141 PolarHBondContact NH2-O 3.49Å; L138-D141 WeakPolarHBondContact O-CB 3.43Å; L138-D141 PolarHBondContact O-N 3.31Å; N139-D141 PolarHBondContact O-N 3.26Å; D141-H143 PolarHBondContact OD1-N 3.29Å
142L90.3Very high93.4Very high23 Ų2354 Ų5412%0.1225%0.254CS..  trans-90.8-15.8179.6-54.8-179.2000113.3L68 L72 L97 T101 L135 L138 W140 T144L68-L142 WeakPolarHBondContact CD1-O 3.31Å; L72-L142 HydrophobicContact CD1-CD2 4.36Å; L72-L142 HydrophobicContact CD2-CB 4.46Å; L72-L142 HydrophobicContact CD2-CD2 3.76Å; L97-L142 HydrophobicContact CD1-CD1 3.77Å; L97-L142 HydrophobicContact CD2-CD1 3.99Å; L97-L142 HydrophobicContact CD2-CD2 3.58Å; L97-L142 HydrophobicContact CD2-CG 4.45Å; L97-L142 HydrophobicContact CG-CD1 3.81Å; L97-L142 HydrophobicContact CG-CD2 4.25Å; T101-L142 HydrophobicContact CG2-CD1 3.61Å; L135-L142 HydrophobicContact CD2-CD1 3.94Å; L135-L142 HydrophobicContact CD2-CD2 3.99Å; L135-L142 HydrophobicContact CD2-CG 4.19Å; L138-L142 HydrophobicContact CD1-CD2 4.49Å; W140-L142 PolarHBondContact O-N 3.44Å; L142-T144 PolarHBondContact O-N 3.2Å; L142-T144 VanDerWaalsContact O-N 3.08Å
143H85.3Confident93.3Very high153 Ų15346.5 Ų46.571%0.70823%0.227SC*.  trans-73107.2-175-70.8-62.4000110.5R22 M26 D141R22-H143 VanDerWaalsContact CZ-O 3.27Å; R22-H143 PolarHBondContact NE-O 3.44Å; R22-H143 PolarHBondContact NH2-O 3.01Å; M26-H143 WeakPolarHBondContact CE-O 3.42Å; D141-H143 PolarHBondContact OD1-N 3.29Å
144T84.9Confident93.1Very high27 Ų2744.3 Ų44.317%0.16622%0.216CC..  trans-122.9139.5176.4-167.10000112.1M26 L68 L142 T146M26-T144 VanDerWaalsContact CE-CB 3.4Å; M26-T144 WeakPolarHBondContact CE-OG1 3.41Å; L68-T144 HydrophobicContact CD1-CG2 3.52Å; L142-T144 PolarHBondContact O-N 3.2Å; L142-T144 VanDerWaalsContact O-N 3.08Å; T144-T146 HydrophobicContact CG2-CG2 3.75Å; T144-T146 PolarHBondContact O-N 3.39Å
145A90.2Very high92.8Very high13 Ų1344.9 Ų44.911%0.10722%0.219CC..  trans-73.8105.7165.300000106.8A19 R22 E23 F150A19-A145 HydrophobicContact CB-CB 4.24Å; A19-A145 WeakPolarHBondContact O-CB 3.28Å; R22-A145 HydrophobicContact CB-CB 4.23Å; R22-A145 HydrophobicContact CG-CB 4.31Å; E23-A145 HydrophobicContact CB-CB 4.38Å; A145-F150 HydrophobicContact CB-CE2 3.81Å; A145-F150 HydrophobicContact CB-CZ 3.99Å
146T92.8Very high92.5Very high6 Ų645.6 Ų45.64%0.03723%0.227CC..  trans-82.3157178.867.10000110A67 T144 L148 D149 F150A67-T146 HydrophobicContact CB-CG2 4.18Å; T144-T146 HydrophobicContact CG2-CG2 3.75Å; T144-T146 PolarHBondContact O-N 3.39Å; T146-L148 PolarHBondContact O-N 2.94Å; T146-L148 VanDerWaalsContact O-N 3.1Å; T146-L148 PolarHBondContact OG1-N 3.18Å; T146-D149 WeakPolarHBondContact CB-OD2 3.37Å; T146-D149 PolarHBondContact N-OD2 3.5Å; T146-D149 PolarHBondContact O-N 3.39Å; T146-D149 VanDerWaalsContact O-N 3.11Å; T146-D149 PolarHBondContact OG1-N 3.33Å; T146-D149 PolarHBondContact OG1-OD2 3.4Å; T146-F150 VanDerWaalsContact O-CD2 3.27Å; T146-F150 WeakPolarHBondContact O-CD2 3.41Å; T146-F150 PolarHBondContact O-N 3.39Å
147P93.6Very high92.2Very high16 Ų1642 Ų4210%0.10421%0.207CC..Hα-helixtrans-53.8-28.6168.8-23.632.4000112.9F150 L151 L185 M189 L202 A203P147-F150 PolarHBondContact O-N 3.48Å; P147-L151 PolarHBondContact O-N 3.1Å; P147-L185 HydrophobicContact CB-CD1 3.97Å; P147-L185 HydrophobicContact CB-CD2 4.17Å; P147-M189 HydrophobicContact CB-SD 4.39Å; P147-M189 HydrophobicContact CG-CE 4.15Å; P147-M189 HydrophobicContact CG-CG 4.44Å; P147-M189 HydrophobicContact CG-SD 4.25Å; P147-L202 HydrophobicContact CB-CD2 4.34Å; P147-A203 WeakPolarHBondContact O-CB 3.44Å
148L95.3Very high92Very high0 Ų037 Ų370%019%0.186CC..Hα-helixtrans-69.9-39179.2-176.560.6000112.2P63 E64 A67 T146 F150 L151 H152 T182 L185P63-L148 HydrophobicContact CB-CD2 3.99Å; P63-L148 HydrophobicContact CG-CD2 4.37Å; E64-L148 HydrophobicContact CB-CD2 4.45Å; E64-L148 HydrophobicContact CG-CD2 3.97Å; A67-L148 HydrophobicContact CB-CB 3.93Å; A67-L148 HydrophobicContact CB-CD2 4.06Å; T146-L148 PolarHBondContact O-N 2.94Å; T146-L148 VanDerWaalsContact O-N 3.1Å; T146-L148 PolarHBondContact OG1-N 3.18Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.31Å; L148-L151 HydrophobicContact CD1-CD2 4.15Å; L148-L151 WeakPolarHBondContact O-CB 3.44Å; L148-L151 PolarHBondContact O-N 2.97Å; L148-H152 WeakPolarHBondContact CD1-NE2 3.47Å; L148-H152 PolarHBondContact O-N 2.8Å; L148-T182 HydrophobicContact CD1-CG2 3.65Å; L148-L185 HydrophobicContact CB-CD2 4.04Å; L148-L185 HydrophobicContact CD1-CD2 4.01Å
149D94.2Very high91.7Very high57 Ų5738 Ų3831%0.30519%0.192SC..Hα-helixtrans-59.8-45.7175-59.7-54000110.9T146 L151 H152 I153T146-D149 WeakPolarHBondContact CB-OD2 3.37Å; T146-D149 PolarHBondContact N-OD2 3.5Å; T146-D149 PolarHBondContact O-N 3.39Å; T146-D149 VanDerWaalsContact O-N 3.11Å; T146-D149 PolarHBondContact OG1-N 3.33Å; T146-D149 PolarHBondContact OG1-OD2 3.4Å; D149-L151 VanDerWaalsContact C-N 3.35Å; D149-L151 PolarHBondContact O-N 2.85Å; D149-H152 PolarHBondContact O-N 3.1Å; D149-I153 WeakPolarHBondContact O-CD1 3.46Å; D149-I153 VanDerWaalsContact O-CG1 3.23Å; D149-I153 WeakPolarHBondContact O-CG1 3.47Å; D149-I153 PolarHBondContact O-N 2.92Å
150F95.2Very high91.3Very high0 Ų032.5 Ų32.50%017%0.165CC..Hα-helixtrans-63.6-40.2176.1-69.8-68.3000112.3L16 A19 I20 E23 A145 T146 P147 L148 H152 I153 F154 A203L16-F150 HydrophobicContact CD1-CD1 4.07Å; L16-F150 HydrophobicContact CD1-CE1 4.25Å; A19-F150 HydrophobicContact CB-CD1 4.21Å; A19-F150 HydrophobicContact CB-CE1 3.5Å; A19-F150 VanDerWaalsContact CB-CE1 3.5Å; A19-F150 HydrophobicContact CB-CZ 3.77Å; I20-F150 HydrophobicContact CG1-CE1 3.94Å; E23-F150 HydrophobicContact CB-CE2 4.22Å; E23-F150 HydrophobicContact CB-CZ 3.95Å; E23-F150 HydrophobicContact CG-CE2 4.46Å; A145-F150 HydrophobicContact CB-CE2 3.81Å; A145-F150 HydrophobicContact CB-CZ 3.99Å; T146-F150 VanDerWaalsContact O-CD2 3.27Å; T146-F150 WeakPolarHBondContact O-CD2 3.41Å; T146-F150 PolarHBondContact O-N 3.39Å; P147-F150 PolarHBondContact O-N 3.48Å; L148-F150 VanDerWaalsContact C-N 3.32Å; L148-F150 PolarHBondContact O-N 3.31Å; F150-H152 VanDerWaalsContact C-N 3.35Å; F150-H152 PolarHBondContact O-N 2.99Å; F150-I153 PolarHBondContact O-N 3.34Å; F150-F154 HydrophobicContact CB-CD2 4.21Å; F150-F154 HydrophobicContact CB-CE2 3.94Å; F150-F154 HydrophobicContact CD1-CE2 4.44Å; F150-F154 HydrophobicContact CD1-CZ 4.41Å; F150-F154 WeakPolarHBondContact O-CB 3.3Å; F150-F154 WeakPolarHBondContact O-CD2 3.37Å; F150-F154 VanDerWaalsContact O-CG 3.28Å; F150-F154 WeakPolarHBondContact O-CG 3.21Å; F150-F154 PolarHBondContact O-N 3.47Å; F150-A203 HydrophobicContact CB-CB 3.55Å
151L95.5Very high90.8Very high0 Ų027.3 Ų27.30%015%0.152CC..Hα-helixtrans-59.4-47.1176.3179.268.9000111.2P147 L148 D149 H155 L178 L181 L185 A203 V207P147-L151 PolarHBondContact O-N 3.1Å; L148-L151 HydrophobicContact CD1-CD2 4.15Å; L148-L151 WeakPolarHBondContact O-CB 3.44Å; L148-L151 PolarHBondContact O-N 2.97Å; D149-L151 VanDerWaalsContact C-N 3.35Å; D149-L151 PolarHBondContact O-N 2.85Å; L151-H155 WeakPolarHBondContact O-CB 3.14Å; L151-H155 PolarHBondContact O-N 3Å; L151-L178 HydrophobicContact CG-CD1 4.49Å; L151-L181 HydrophobicContact CD1-CB 4.19Å; L151-L181 HydrophobicContact CD1-CD1 4.38Å; L151-L181 HydrophobicContact CD2-CB 3.95Å; L151-L181 HydrophobicContact CG-CB 4.49Å; L151-L185 HydrophobicContact CB-CD2 3.89Å; L151-L185 HydrophobicContact CD2-CB 4.01Å; L151-L185 HydrophobicContact CD2-CD2 3.69Å; L151-L185 HydrophobicContact CD2-CG 4.48Å; L151-L185 HydrophobicContact CG-CD2 4.37Å; L151-A203 HydrophobicContact CB-CB 4.24Å; L151-V207 HydrophobicContact CD1-CG2 3.63Å
152H94.3Very high90.4Very high49 Ų4925.7 Ų25.723%0.22714%0.142CC..Hα-helixtrans-61.5-45177.6-68.5173.9000111.8E64 L148 D149 F150 A156E64-H152 IonicContact OE1-CE1 2.76Å; E64-H152 PolarHBondContact OE1-CE1 3.47Å; L148-H152 WeakPolarHBondContact CD1-NE2 3.47Å; L148-H152 PolarHBondContact O-N 2.8Å; D149-H152 PolarHBondContact O-N 3.1Å; F150-H152 VanDerWaalsContact C-N 3.35Å; F150-H152 PolarHBondContact O-N 2.99Å; H152-A156 VanDerWaalsContact O-CB 3.31Å; H152-A156 WeakPolarHBondContact O-CB 3.41Å; H152-A156 PolarHBondContact O-N 3.15Å
153I93.6Very high89.6Confident18 Ų1826.5 Ų26.59%0.09215%0.149CC..Hα-helixtrans-64.6-49.6179.2-67.1164.2000111L15 L16 A19 D149 F150 H155 A156 I157L15-I153 HydrophobicContact CB-CD1 4.2Å; L15-I153 HydrophobicContact CB-CG1 4.48Å; L16-I153 HydrophobicContact CB-CG2 3.86Å; L16-I153 HydrophobicContact CD1-CG2 4.06Å; L16-I153 HydrophobicContact CG-CG2 4.41Å; A19-I153 HydrophobicContact CB-CD1 4.19Å; D149-I153 WeakPolarHBondContact O-CD1 3.46Å; D149-I153 VanDerWaalsContact O-CG1 3.23Å; D149-I153 WeakPolarHBondContact O-CG1 3.47Å; D149-I153 PolarHBondContact O-N 2.92Å; F150-I153 PolarHBondContact O-N 3.34Å; I153-H155 PolarHBondContact O-N 3.21Å; I153-A156 PolarHBondContact O-N 3.47Å; I153-I157 HydrophobicContact CG2-CD1 3.82Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.35Å; I153-I157 PolarHBondContact O-N 2.69Å
154F93.6Very high88.9Confident0 Ų023.8 Ų23.80%014%0.136CC..Hα-helixtrans-65.3-39.5-179.3-68.6-37.8000112.5L16 F150 I157 A158 S200 A203 L204 V207 L225 A229L16-F154 HydrophobicContact CD1-CD1 4.38Å; L16-F154 HydrophobicContact CD1-CE1 3.6Å; L16-F154 HydrophobicContact CD1-CZ 4Å; L16-F154 HydrophobicContact CD2-CE1 4.02Å; L16-F154 HydrophobicContact CG-CE1 4.49Å; F150-F154 HydrophobicContact CB-CD2 4.21Å; F150-F154 HydrophobicContact CB-CE2 3.94Å; F150-F154 HydrophobicContact CD1-CE2 4.44Å; F150-F154 HydrophobicContact CD1-CZ 4.41Å; F150-F154 WeakPolarHBondContact O-CB 3.3Å; F150-F154 WeakPolarHBondContact O-CD2 3.37Å; F150-F154 VanDerWaalsContact O-CG 3.28Å; F150-F154 WeakPolarHBondContact O-CG 3.21Å; F150-F154 PolarHBondContact O-N 3.47Å; F154-I157 PolarHBondContact O-N 3.04Å; F154-A158 VanDerWaalsContact O-CB 3.28Å; F154-A158 WeakPolarHBondContact O-CB 3.37Å; F154-A158 PolarHBondContact O-N 3.37Å; F154-S200 WeakPolarHBondContact CE2-O 3.44Å; F154-A203 HydrophobicContact CD2-CB 3.99Å; F154-A203 HydrophobicContact CE2-CB 4.14Å; F154-L204 HydrophobicContact CD2-CB 4.22Å; F154-L204 HydrophobicContact CE2-CB 3.85Å; F154-L204 HydrophobicContact CZ-CB 4.42Å; F154-V207 HydrophobicContact CB-CG2 4.06Å; F154-L225 HydrophobicContact CB-CD1 4.43Å; F154-L225 HydrophobicContact CD1-CD2 4.03Å; F154-A229 HydrophobicContact CE1-CB 4.14Å; F154-A229 HydrophobicContact CZ-CB 4Å
155H91.9Very high88.1Confident12 Ų1222.6 Ų22.66%0.05613%0.129CC..Hα-helixtrans-62.5-45.6174.1-179.4-90.5000111.5L151 I153 I157 A158 V159 P174 H177 L178L151-H155 WeakPolarHBondContact O-CB 3.14Å; L151-H155 PolarHBondContact O-N 3Å; I153-H155 PolarHBondContact O-N 3.21Å; H155-I157 PolarHBondContact O-N 3.29Å; H155-A158 PolarHBondContact O-N 2.87Å; H155-V159 WeakPolarHBondContact O-CG2 3.09Å; H155-V159 PolarHBondContact O-N 3.36Å; H155-P174 PolarHBondContact CE1-O 3.04Å; H155-H177 AromaticContact CD2-ND1 3.78Å; H155-H177 AromaticContact NE2-CG 3.95Å; H155-H177 AromaticContact NE2-ND1 3.21Å; H155-H177 PolarHBondContact NE2-ND1 3.4Å; H155-L178 HydrophobicContact CB-CD1 3.85Å
156A90.8Very high86.9Confident32 Ų3224.9 Ų24.926%0.26414%0.139SC..Hα-helixtrans-61.2-42.5177.300000112.1L12 H152 I153 S160L12-A156 HydrophobicContact CD1-CB 3.99Å; L12-A156 HydrophobicContact CD2-CB 3.76Å; H152-A156 VanDerWaalsContact O-CB 3.31Å; H152-A156 WeakPolarHBondContact O-CB 3.41Å; H152-A156 PolarHBondContact O-N 3.15Å; I153-A156 PolarHBondContact O-N 3.47Å; A156-S160 VanDerWaalsContact O-CB 3.28Å; A156-S160 WeakPolarHBondContact O-CB 3.27Å; A156-S160 PolarHBondContact O-N 3.07Å; A156-S160 PolarHBondContact O-OG 2.95Å
157I90Very high85.5Confident7 Ų733.3 Ų33.34%0.03618%0.176CC..Hα-helixtrans-64-46.7174.8-65.1167.6000110.3L12 L16 I153 F154 H155 V159 S160 T161 L225L12-I157 HydrophobicContact CB-CD1 4.42Å; L12-I157 HydrophobicContact CB-CG1 3.91Å; L12-I157 HydrophobicContact CD1-CG1 4.02Å; L12-I157 HydrophobicContact CG-CG1 4.48Å; L16-I157 HydrophobicContact CD2-CD1 4.1Å; I153-I157 HydrophobicContact CG2-CD1 3.82Å; I153-I157 VanDerWaalsContact O-CG1 3.3Å; I153-I157 WeakPolarHBondContact O-CG1 3.35Å; I153-I157 PolarHBondContact O-N 2.69Å; F154-I157 PolarHBondContact O-N 3.04Å; H155-I157 PolarHBondContact O-N 3.29Å; I157-V159 PolarHBondContact O-N 2.9Å; I157-S160 PolarHBondContact O-N 3.39Å; I157-T161 WeakPolarHBondContact O-CB 3.41Å; I157-T161 PolarHBondContact O-N 2.9Å; I157-T161 PolarHBondContact O-OG1 3.36Å; I157-L225 HydrophobicContact CB-CD2 3.96Å; I157-L225 HydrophobicContact CD1-CD2 4.35Å; I157-L225 HydrophobicContact CG2-CD2 3.52Å
158A88.3Confident84Confident0 Ų035 Ų350%019%0.187CC..Hα-helixtrans-58.2-48.3-179.900000112.1F154 H155 S160 T161 R162 L165 M211 L221F154-A158 VanDerWaalsContact O-CB 3.28Å; F154-A158 WeakPolarHBondContact O-CB 3.37Å; F154-A158 PolarHBondContact O-N 3.37Å; H155-A158 PolarHBondContact O-N 2.87Å; A158-S160 VanDerWaalsContact C-N 3.31Å; A158-S160 PolarHBondContact O-N 2.92Å; A158-T161 PolarHBondContact O-N 2.91Å; A158-R162 PolarHBondContact O-N 3.42Å; A158-L165 HydrophobicContact CB-CD1 4.16Å; A158-L165 WeakPolarHBondContact O-CD1 3.34Å; A158-M211 HydrophobicContact CB-SD 4.32Å; A158-L221 HydrophobicContact CB-CD1 4.38Å; A158-L221 HydrophobicContact CB-CD2 3.86Å
159V86.3Confident82.5Confident29 Ų2935.6 Ų35.618%0.17619%0.191CC..Hα-helixtrans-65.2-35.4178.3173.70000111.6H155 I157 R162 L166H155-V159 WeakPolarHBondContact O-CG2 3.09Å; H155-V159 PolarHBondContact O-N 3.36Å; I157-V159 PolarHBondContact O-N 2.9Å; V159-R162 CarbonylContact O-C 3.58Å; V159-L166 HydrophobicContact CG1-CD2 3.87Å; V159-L166 HydrophobicContact CG1-CG 4.48Å
160S85.4Confident80.8Confident24 Ų2437 Ų3717%0.16820%0.203CC..Hα-helixtrans-72.2-41.8178.7-58.40000112.6P4 A156 I157 A158P4-S160 WeakPolarHBondContact CG-OG 3.48Å; A156-S160 VanDerWaalsContact O-CB 3.28Å; A156-S160 WeakPolarHBondContact O-CB 3.27Å; A156-S160 PolarHBondContact O-N 3.07Å; A156-S160 PolarHBondContact O-OG 2.95Å; I157-S160 PolarHBondContact O-N 3.39Å; A158-S160 VanDerWaalsContact C-N 3.31Å; A158-S160 PolarHBondContact O-N 2.92Å
161T83.7Confident79.3Confident59 Ų5947.4 Ų47.436%0.36225%0.248SC..Hα-helixtrans-75.5-35-179.7-55.60000112.1I157 A158I157-T161 WeakPolarHBondContact O-CB 3.41Å; I157-T161 PolarHBondContact O-N 2.9Å; I157-T161 PolarHBondContact O-OG1 3.36Å; A158-T161 PolarHBondContact O-N 2.91Å
162R82.4Confident78.2Confident14 Ų1450.6 Ų50.65%0.05327%0.265CS..  trans-126.879.9-177.8-68.5-173.1175.966.8-3.1110.9A158 V159 Q164 L165 D217 E224A158-R162 PolarHBondContact O-N 3.42Å; V159-R162 CarbonylContact O-C 3.58Å; R162-Q164 HydrophobicContact CB-CG 4.18Å; R162-Q164 PolarHBondContact O-N 2.84Å; R162-L165 HydrophobicContact CB-CD1 4.14Å; R162-L165 HydrophobicContact CB-CG 4.3Å; R162-L165 WeakPolarHBondContact O-CB 3.46Å; R162-L165 WeakPolarHBondContact O-CG 3.24Å; R162-L165 PolarHBondContact O-N 3.43Å; R162-D217 IonicContact CZ-OD2 2.76Å; R162-D217 IonicContact NE-OD2 2.57Å; R162-D217 PolarHBondContact NE-OD2 3.14Å; R162-D217 IonicContact NH2-OD2 3.78Å; R162-D217 PolarHBondContact NH2-OD2 3.42Å; R162-E224 IonicContact CZ-OE1 3.24Å; R162-E224 IonicContact NH1-OE1 2.73Å; R162-E224 IonicContact NH1-OE2 3.42Å; R162-E224 PolarHBondContact NH1-OE2 3.18Å; R162-E224 IonicContact NH2-OE1 3.47Å; R162-E224 PolarHBondContact NH2-OE1 3.13Å
163P74.1Confident77.7Confident41 Ų4150.3 Ų50.327%0.26627%0.268SS..THydrogen-bonded Turntrans-59.6-19.9177.5-21.832.8000113.4L165 L166P163-L165 PolarHBondContact O-N 2.85Å; P163-L165 VanDerWaalsContact O-N 3.13Å; P163-L166 WeakPolarHBondContact O-CB 3.45Å; P163-L166 VanDerWaalsContact O-CG 3.31Å; P163-L166 WeakPolarHBondContact O-CG 3.43Å; P163-L166 PolarHBondContact O-N 3.26Å
164Q70.3Confident77.1Confident95 Ų9550.8 Ų50.844%0.44427%0.273SS..THydrogen-bonded Turntrans-53.6-28.3171.455.7-94.632.200113.2R162 L166 F167 S168 I215R162-Q164 HydrophobicContact CB-CG 4.18Å; R162-Q164 PolarHBondContact O-N 2.84Å; Q164-L166 PolarHBondContact O-N 3.36Å; Q164-L166 VanDerWaalsContact O-N 3.16Å; Q164-F167 PolarHBondContact O-N 2.96Å; Q164-S168 PolarHBondContact O-N 3.33Å; Q164-S168 PolarHBondContact O-OG 2.87Å; Q164-I215 HydrophobicContact CG-CG2 4.39Å
165L68Low76.7Confident3 Ų354.8 Ų54.82%0.01630%0.301CS..Hα-helixtrans-55.2-33174-72167.5000112.4A158 R162 P163 F167 S168 L169 M211 L214 I215A158-L165 HydrophobicContact CB-CD1 4.16Å; A158-L165 WeakPolarHBondContact O-CD1 3.34Å; R162-L165 HydrophobicContact CB-CD1 4.14Å; R162-L165 HydrophobicContact CB-CG 4.3Å; R162-L165 WeakPolarHBondContact O-CB 3.46Å; R162-L165 WeakPolarHBondContact O-CG 3.24Å; R162-L165 PolarHBondContact O-N 3.43Å; P163-L165 PolarHBondContact O-N 2.85Å; P163-L165 VanDerWaalsContact O-N 3.13Å; L165-F167 PolarHBondContact O-N 3.39Å; L165-S168 PolarHBondContact O-N 3.39Å; L165-L169 WeakPolarHBondContact O-CB 3.5Å; L165-L169 WeakPolarHBondContact O-CD1 3.41Å; L165-L169 WeakPolarHBondContact O-CG 3.43Å; L165-L169 PolarHBondContact O-N 3.25Å; L165-L169 VanDerWaalsContact O-N 3.08Å; L165-M211 HydrophobicContact CD1-SD 3.64Å; L165-M211 HydrophobicContact CD2-CE 4.23Å; L165-M211 HydrophobicContact CD2-SD 3.54Å; L165-M211 VanDerWaalsContact CD2-SD 3.54Å; L165-M211 HydrophobicContact CG-SD 4.26Å; L165-L214 HydrophobicContact CD2-CB 3.99Å; L165-L214 HydrophobicContact CD2-CD1 4.16Å; L165-I215 HydrophobicContact CD2-CD1 4.36Å; L165-I215 HydrophobicContact CD2-CG1 4.31Å; L165-I215 HydrophobicContact CD2-CG2 3.54Å; L165-I215 HydrophobicContact CG-CG2 4.2Å
166L65.1Low76.5Confident61 Ų6158.9 Ų58.932%0.31932%0.32SS..Hα-helixtrans-63-28.3176.8-57.9-179.7000112.9M1 V159 P163 Q164 P174M1-L166 HydrophobicContact SD-CD1 4.45Å; V159-L166 HydrophobicContact CG1-CD2 3.87Å; V159-L166 HydrophobicContact CG1-CG 4.48Å; P163-L166 WeakPolarHBondContact O-CB 3.45Å; P163-L166 VanDerWaalsContact O-CG 3.31Å; P163-L166 WeakPolarHBondContact O-CG 3.43Å; P163-L166 PolarHBondContact O-N 3.26Å; Q164-L166 PolarHBondContact O-N 3.36Å; Q164-L166 VanDerWaalsContact O-N 3.16Å; L166-P174 HydrophobicContact CD2-CB 4.23Å; L166-P174 HydrophobicContact CD2-CG 3.16Å
167F63.3Low76.3Confident183 Ų18358 Ų5880%0.80331%0.31SS*.Hα-helixtrans-96.4-30.2-179.7-59.4-79.5000112.3Q164 L165Q164-F167 PolarHBondContact O-N 2.96Å; L165-F167 PolarHBondContact O-N 3.39Å
168S62.7Low76.4Confident50 Ų5059.5 Ų59.535%0.3532%0.318SS..Hα-helixtrans-77-21.7178.2-46.20000113.5Q164 L165 P170 L214Q164-S168 PolarHBondContact O-N 3.33Å; Q164-S168 PolarHBondContact O-OG 2.87Å; L165-S168 PolarHBondContact O-N 3.39Å; S168-P170 WeakPolarHBondContact O-CD 3.32Å; S168-L214 WeakPolarHBondContact CB-O 3.5Å
169L63.8Low76.5Confident13 Ų1362.4 Ų62.47%0.06834%0.342CS..SBendtrans-65.1122.9178.7-87.1156.5000110.4L165 K171 H177 L214L165-L169 WeakPolarHBondContact O-CB 3.5Å; L165-L169 WeakPolarHBondContact O-CD1 3.41Å; L165-L169 WeakPolarHBondContact O-CG 3.43Å; L165-L169 PolarHBondContact O-N 3.25Å; L165-L169 VanDerWaalsContact O-N 3.08Å; L169-K171 PolarHBondContact O-N 3.16Å; L169-H177 HydrophobicContact CD1-CB 4.24Å; L169-H177 HydrophobicContact CD2-CB 3.75Å; L169-H177 VanDerWaalsContact CD2-CG 3.42Å; L169-L214 HydrophobicContact CD2-CD1 4.03Å; L169-L214 HydrophobicContact CD2-CD2 4.36Å; L169-L214 HydrophobicContact CG-CD1 4.34Å
170P59.2Low76.7Confident87 Ų8764.2 Ų64.257%0.56535%0.353SS*.SBendtrans-66.997179.923.9-30.3000110.1S168 L172S168-P170 WeakPolarHBondContact O-CD 3.32Å; P170-L172 WeakPolarHBondContact O-CD1 3.28Å; P170-L172 WeakPolarHBondContact O-CG 3.33Å; P170-L172 PolarHBondContact O-N 3.33Å
171K64.1Low77Confident218 Ų21863 Ų6395%0.94835%0.345SS*.SBendtrans555.8173.7-60.5178.9179.61770116.9L169L169-K171 PolarHBondContact O-N 3.16Å
172L71.8Confident77.5Confident68 Ų6860.8 Ų60.836%0.35633%0.331SS..  trans-100.3132.3-176.1-76.5145.6000110.3P170 Q176P170-L172 WeakPolarHBondContact O-CD1 3.28Å; P170-L172 WeakPolarHBondContact O-CG 3.33Å; P170-L172 PolarHBondContact O-N 3.33Å; L172-Q176 HydrophobicContact CB-CB 4.35Å; L172-Q176 HydrophobicContact CD2-CB 3.6Å; L172-Q176 HydrophobicContact CD2-CG 4.5Å
173S82.5Confident77.9Confident42 Ų4265.4 Ų65.429%0.29435%0.352SS..  trans-65.9157.4169.970.10000110.6S175 Q176 H177S173-S175 PolarHBondContact O-N 3.25Å; S173-S175 VanDerWaalsContact O-N 3.14Å; S173-S175 PolarHBondContact OG-OG 3.13Å; S173-Q176 PolarHBondContact O-N 3.44Å; S173-Q176 VanDerWaalsContact OG-CG 3.23Å; S173-Q176 WeakPolarHBondContact OG-CG 3.25Å; S173-Q176 PolarHBondContact OG-N 3.43Å; S173-H177 PolarHBondContact O-N 3.06Å
174P82.3Confident78.8Confident28 Ų2865.6 Ų65.618%0.18235%0.349CS..Hα-helixtrans-55.9-34.1177.1-28.537.7000113.3H155 L166 H177 L178H155-P174 PolarHBondContact CE1-O 3.04Å; L166-P174 HydrophobicContact CD2-CB 4.23Å; L166-P174 HydrophobicContact CD2-CG 3.16Å; P174-H177 PolarHBondContact O-N 3.02Å; P174-L178 WeakPolarHBondContact O-CB 3.49Å; P174-L178 PolarHBondContact O-N 3.3Å
175S85.3Confident80Confident84 Ų8461 Ų6159%0.58733%0.328SS*.Hα-helixtrans-69.1-40.2175.256.10000112.7S173 L178 A179S173-S175 PolarHBondContact O-N 3.25Å; S173-S175 VanDerWaalsContact O-N 3.14Å; S173-S175 PolarHBondContact OG-OG 3.13Å; S175-L178 PolarHBondContact O-N 2.7Å; S175-A179 WeakPolarHBondContact O-CB 3.38Å; S175-A179 PolarHBondContact O-N 3.24Å
176Q86.6Confident81.1Confident98 Ų9861.3 Ų61.346%0.45833%0.329SS..Hα-helixtrans-67.6-39174.5-70.4168.4-11.800111.2L172 S173 A179 V180L172-Q176 HydrophobicContact CB-CB 4.35Å; L172-Q176 HydrophobicContact CD2-CB 3.6Å; L172-Q176 HydrophobicContact CD2-CG 4.5Å; S173-Q176 PolarHBondContact O-N 3.44Å; S173-Q176 VanDerWaalsContact OG-CG 3.23Å; S173-Q176 WeakPolarHBondContact OG-CG 3.25Å; S173-Q176 PolarHBondContact OG-N 3.43Å; Q176-A179 WeakPolarHBondContact O-CB 3.26Å; Q176-A179 PolarHBondContact O-N 2.84Å; Q176-V180 WeakPolarHBondContact O-CG2 3.4Å; Q176-V180 PolarHBondContact O-N 2.99Å
177H87.9Confident82.4Confident13 Ų1361.8 Ų61.86%0.0633%0.329CS..Hα-helixtrans-59.3-49.8173.2-178-142000110.9H155 L169 S173 P174 A179 V180 L181H155-H177 AromaticContact CD2-ND1 3.78Å; H155-H177 AromaticContact NE2-CG 3.95Å; H155-H177 AromaticContact NE2-ND1 3.21Å; H155-H177 PolarHBondContact NE2-ND1 3.4Å; L169-H177 HydrophobicContact CD1-CB 4.24Å; L169-H177 HydrophobicContact CD2-CB 3.75Å; L169-H177 VanDerWaalsContact CD2-CG 3.42Å; S173-H177 PolarHBondContact O-N 3.06Å; P174-H177 PolarHBondContact O-N 3.02Å; H177-A179 VanDerWaalsContact C-N 3.27Å; H177-A179 PolarHBondContact O-N 2.97Å; H177-V180 PolarHBondContact O-N 3.41Å; H177-V180 VanDerWaalsContact O-N 3.12Å; H177-L181 WeakPolarHBondContact O-CG 3.3Å; H177-L181 PolarHBondContact O-N 3.15Å
178L90.8Very high83.8Confident39 Ų3953 Ų5320%0.20429%0.291CS..Hα-helixtrans-58.9-38.2176.3-172.358.1000112.3L151 H155 P174 S175 V180 L181 T182L151-L178 HydrophobicContact CG-CD1 4.49Å; H155-L178 HydrophobicContact CB-CD1 3.85Å; P174-L178 WeakPolarHBondContact O-CB 3.49Å; P174-L178 PolarHBondContact O-N 3.3Å; S175-L178 PolarHBondContact O-N 2.7Å; L178-V180 PolarHBondContact O-N 3.45Å; L178-L181 PolarHBondContact O-N 3.26Å; L178-T182 VanDerWaalsContact O-CB 3.27Å; L178-T182 WeakPolarHBondContact O-CB 3.37Å; L178-T182 PolarHBondContact O-N 2.96Å; L178-T182 PolarHBondContact O-OG1 2.74Å
179A90.8Very high85.1Confident61 Ų6151.1 Ų51.150%0.50428%0.277SS..Hα-helixtrans-64.5-38.2176.700000112.6S175 Q176 H177 K183S175-A179 WeakPolarHBondContact O-CB 3.38Å; S175-A179 PolarHBondContact O-N 3.24Å; Q176-A179 WeakPolarHBondContact O-CB 3.26Å; Q176-A179 PolarHBondContact O-N 2.84Å; H177-A179 VanDerWaalsContact C-N 3.27Å; H177-A179 PolarHBondContact O-N 2.97Å; A179-K183 WeakPolarHBondContact O-CB 3.22Å; A179-K183 PolarHBondContact O-N 3.1Å
180V90.3Very high86.3Confident67 Ų6751 Ų5141%0.40628%0.277SS..Hα-helixtrans-65.2-48174.2173.80000110.6Q176 H177 L178 T182 K183 Q184Q176-V180 WeakPolarHBondContact O-CG2 3.4Å; Q176-V180 PolarHBondContact O-N 2.99Å; H177-V180 PolarHBondContact O-N 3.41Å; H177-V180 VanDerWaalsContact O-N 3.12Å; L178-V180 PolarHBondContact O-N 3.45Å; V180-T182 VanDerWaalsContact C-N 3.32Å; V180-T182 PolarHBondContact O-N 2.9Å; V180-K183 WeakPolarHBondContact O-CB 3.24Å; V180-K183 PolarHBondContact O-N 2.88Å; V180-Q184 WeakPolarHBondContact O-CG 3.38Å; V180-Q184 PolarHBondContact O-N 3.02Å
181L92Very high87.6Confident0 Ų047.5 Ų47.50%026%0.255CS..Hα-helixtrans-59.6-44.1176.9-64.1180000111.7L151 H177 L178 K183 Q184 L185 E210L151-L181 HydrophobicContact CD1-CB 4.19Å; L151-L181 HydrophobicContact CD1-CD1 4.38Å; L151-L181 HydrophobicContact CD2-CB 3.95Å; L151-L181 HydrophobicContact CG-CB 4.49Å; H177-L181 WeakPolarHBondContact O-CG 3.3Å; H177-L181 PolarHBondContact O-N 3.15Å; L178-L181 PolarHBondContact O-N 3.26Å; L181-K183 VanDerWaalsContact C-N 3.33Å; L181-K183 PolarHBondContact O-N 3.06Å; L181-Q184 PolarHBondContact O-N 3.45Å; L181-L185 WeakPolarHBondContact O-CB 3.36Å; L181-L185 PolarHBondContact O-N 2.89Å; L181-E210 HydrophobicContact CD2-CB 3.88Å; L181-E210 HydrophobicContact CD2-CG 3.44Å; L181-E210 VanDerWaalsContact CD2-CG 3.44Å
182T94.1Very high88.6Confident11 Ų1139 Ų397%0.06722%0.22CC..Hα-helixtrans-57.9-48.8176.6-63.30000109.9P63 L148 L178 V180 Q184 L185 L186P63-T182 HydrophobicContact CB-CG2 3.62Å; P63-T182 HydrophobicContact CG-CG2 3.87Å; L148-T182 HydrophobicContact CD1-CG2 3.65Å; L178-T182 VanDerWaalsContact O-CB 3.27Å; L178-T182 WeakPolarHBondContact O-CB 3.37Å; L178-T182 PolarHBondContact O-N 2.96Å; L178-T182 PolarHBondContact O-OG1 2.74Å; V180-T182 VanDerWaalsContact C-N 3.32Å; V180-T182 PolarHBondContact O-N 2.9Å; T182-Q184 PolarHBondContact O-N 3.47Å; T182-L185 PolarHBondContact O-N 3.01Å; T182-L186 VanDerWaalsContact O-CG 3.31Å; T182-L186 WeakPolarHBondContact O-CG 3.32Å; T182-L186 PolarHBondContact O-N 3.3Å
183K91.9Very high89.2Confident112 Ų11240.8 Ų40.849%0.48723%0.227SC..Hα-helixtrans-57.5-49.2176.7-175.4-179.7178.2-176.40111A179 V180 L181 L185 L186 H187A179-K183 WeakPolarHBondContact O-CB 3.22Å; A179-K183 PolarHBondContact O-N 3.1Å; V180-K183 WeakPolarHBondContact O-CB 3.24Å; V180-K183 PolarHBondContact O-N 2.88Å; L181-K183 VanDerWaalsContact C-N 3.33Å; L181-K183 PolarHBondContact O-N 3.06Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 PolarHBondContact O-N 3.47Å; K183-L186 PolarHBondContact O-N 3.36Å; K183-H187 PolarHBondContact O-N 2.93Å; K183-H187 PolarHBondContact O-ND1 3.26Å
184Q92.8Very high89.4Confident44 Ų4439 Ų3921%0.20621%0.214CC..Hα-helixtrans-59.2-43.1178.5-70.3169.9-47.800111.6V180 L181 T182 L186 H187 C188 M206 E210 L247V180-Q184 WeakPolarHBondContact O-CG 3.38Å; V180-Q184 PolarHBondContact O-N 3.02Å; L181-Q184 PolarHBondContact O-N 3.45Å; T182-Q184 PolarHBondContact O-N 3.47Å; Q184-L186 PolarHBondContact O-N 3.49Å; Q184-H187 PolarHBondContact O-N 2.91Å; Q184-H187 VanDerWaalsContact O-N 3.16Å; Q184-C188 PolarHBondContact O-N 3.17Å; Q184-C188 PolarHBondContact O-SG 3.23Å; Q184-M206 HydrophobicContact CB-CE 3.49Å; Q184-M206 VanDerWaalsContact CB-CE 3.49Å; Q184-E210 PolarHBondContact NE2-OE1 3.08Å; Q184-L247 HydrophobicContact CB-CD2 3.99Å; Q184-L247 HydrophobicContact CG-CD2 4.23Å
185L94.6Very high89.4Confident0 Ų039.3 Ų39.30%021%0.214CC..Hα-helixtrans-61.8-43.6179.5176.567.5000111.6P147 L148 L151 L181 T182 K183 H187 C188 M189 L202 M206P147-L185 HydrophobicContact CB-CD1 3.97Å; P147-L185 HydrophobicContact CB-CD2 4.17Å; L148-L185 HydrophobicContact CB-CD2 4.04Å; L148-L185 HydrophobicContact CD1-CD2 4.01Å; L151-L185 HydrophobicContact CB-CD2 3.89Å; L151-L185 HydrophobicContact CD2-CB 4.01Å; L151-L185 HydrophobicContact CD2-CD2 3.69Å; L151-L185 HydrophobicContact CD2-CG 4.48Å; L151-L185 HydrophobicContact CG-CD2 4.37Å; L181-L185 WeakPolarHBondContact O-CB 3.36Å; L181-L185 PolarHBondContact O-N 2.89Å; T182-L185 PolarHBondContact O-N 3.01Å; K183-L185 VanDerWaalsContact C-N 3.32Å; K183-L185 PolarHBondContact O-N 3.47Å; L185-H187 PolarHBondContact O-N 3.48Å; L185-C188 WeakPolarHBondContact O-CA 3.32Å; L185-C188 WeakPolarHBondContact O-CB 3.25Å; L185-C188 PolarHBondContact O-N 3.17Å; L185-M189 HydrophobicContact CD1-CG 4.41Å; L185-M189 HydrophobicContact CG-CG 4.4Å; L185-M189 HydrophobicContact CG-SD 4.41Å; L185-M189 WeakPolarHBondContact O-CG 3.46Å; L185-M189 PolarHBondContact O-N 2.92Å; L185-L202 HydrophobicContact CD1-CD2 3.85Å; L185-L202 HydrophobicContact CD1-CG 3.91Å; L185-M206 VanDerWaalsContact CA-CE 3.45Å; L185-M206 VanDerWaalsContact CA-SD 3.51Å; L185-M206 HydrophobicContact CB-CE 3.75Å; L185-M206 HydrophobicContact CB-SD 3.61Å; L185-M206 HydrophobicContact CD1-SD 3.36Å; L185-M206 WeakPolarHBondContact CD1-SD 3.32Å; L185-M206 HydrophobicContact CG-SD 4.07Å
186L92.4Very high89.4Confident8 Ų838.6 Ų38.64%0.04220%0.201CC..Hα-helixtrans-60.5-33.3178.5-62.1-162.1000112.3P63 F66 T182 K183 Q184 M189P63-L186 HydrophobicContact CB-CD1 3.81Å; F66-L186 HydrophobicContact CD1-CB 4.1Å; F66-L186 HydrophobicContact CD1-CD1 3.78Å; F66-L186 HydrophobicContact CD1-CD2 3.63Å; F66-L186 HydrophobicContact CD1-CG 4Å; F66-L186 HydrophobicContact CE1-CB 3.82Å; F66-L186 HydrophobicContact CE1-CD1 4.35Å; F66-L186 HydrophobicContact CE1-CD2 3.96Å; F66-L186 HydrophobicContact CE1-CG 4.21Å; F66-L186 HydrophobicContact CG-CD1 4.45Å; T182-L186 VanDerWaalsContact O-CG 3.31Å; T182-L186 WeakPolarHBondContact O-CG 3.32Å; T182-L186 PolarHBondContact O-N 3.3Å; K183-L186 PolarHBondContact O-N 3.36Å; Q184-L186 PolarHBondContact O-N 3.49Å; L186-M189 HydrophobicContact CD2-SD 4.21Å
187H91.3Very high89.5Confident71 Ų7134.4 Ų34.433%0.32918%0.181SC..Hα-helixtrans-70.6-43.2173.3-65.179.1000111.1K183 Q184 L185 M189 A190 L250K183-H187 PolarHBondContact O-N 2.93Å; K183-H187 PolarHBondContact O-ND1 3.26Å; Q184-H187 PolarHBondContact O-N 2.91Å; Q184-H187 VanDerWaalsContact O-N 3.16Å; L185-H187 PolarHBondContact O-N 3.48Å; H187-M189 VanDerWaalsContact C-N 3.27Å; H187-M189 PolarHBondContact O-N 3.2Å; H187-A190 VanDerWaalsContact O-CB 3.28Å; H187-A190 WeakPolarHBondContact O-CB 3.31Å; H187-A190 PolarHBondContact O-N 2.89Å; H187-L250 HydrophobicContact CB-CD1 3.82Å
188C92.1Very high89.6Confident0 Ų038.6 Ų38.60%020%0.197CC..Hα-helixtrans-58.8-37.3175.1-68.80000112.7Q184 L185 A190 C191 L194 L202 M206Q184-C188 PolarHBondContact O-N 3.17Å; Q184-C188 PolarHBondContact O-SG 3.23Å; L185-C188 WeakPolarHBondContact O-CA 3.32Å; L185-C188 WeakPolarHBondContact O-CB 3.25Å; L185-C188 PolarHBondContact O-N 3.17Å; C188-A190 PolarHBondContact O-N 3.29Å; C188-C191 WeakPolarHBondContact O-CB 3.35Å; C188-C191 PolarHBondContact O-N 3.36Å; C188-L194 HydrophobicContact CB-CD1 3.63Å; C188-L202 HydrophobicContact CB-CD1 4.32Å; C188-M206 HydrophobicContact CB-SD 4.39Å
189M90.7Very high89.6Confident9 Ų937.2 Ų37.24%0.04419%0.192CC..THydrogen-bonded Turntrans-63.1-20.6175.9-70.5-177.369.400113.1R45 F66 A67 P147 L185 L186 H187 C191R45-M189 PolarHBondContact NH1-O 3.36Å; R45-M189 PolarHBondContact NH2-O 3.43Å; F66-M189 HydrophobicContact CE1-CB 4.46Å; A67-M189 HydrophobicContact CB-CE 4.1Å; A67-M189 HydrophobicContact CB-SD 4.16Å; P147-M189 HydrophobicContact CB-SD 4.39Å; P147-M189 HydrophobicContact CG-CE 4.15Å; P147-M189 HydrophobicContact CG-CG 4.44Å; P147-M189 HydrophobicContact CG-SD 4.25Å; L185-M189 HydrophobicContact CD1-CG 4.41Å; L185-M189 HydrophobicContact CG-CG 4.4Å; L185-M189 HydrophobicContact CG-SD 4.41Å; L185-M189 WeakPolarHBondContact O-CG 3.46Å; L185-M189 PolarHBondContact O-N 2.92Å; L186-M189 HydrophobicContact CD2-SD 4.21Å; H187-M189 VanDerWaalsContact C-N 3.27Å; H187-M189 PolarHBondContact O-N 3.2Å; M189-C191 VanDerWaalsContact C-N 3.3Å
190A88.4Confident89.7Confident10 Ų1034.4 Ų34.48%0.08317%0.168CC..THydrogen-bonded Turntrans-82.6-2.3174.800000113.8D46 I49 Q50 H187 C188D46-A190 VanDerWaalsContact CB-O 3.26Å; D46-A190 WeakPolarHBondContact CB-O 3.38Å; I49-A190 HydrophobicContact CB-CB 4.36Å; I49-A190 HydrophobicContact CG2-CB 3.7Å; Q50-A190 HydrophobicContact CG-CB 3.94Å; H187-A190 VanDerWaalsContact O-CB 3.28Å; H187-A190 WeakPolarHBondContact O-CB 3.31Å; H187-A190 PolarHBondContact O-N 2.89Å; C188-A190 PolarHBondContact O-N 3.29Å
191C87.4Confident89.8Confident15 Ų1531.8 Ų31.810%0.10115%0.152CC..  trans-102.4115.6179-174.50000111.3C188 M189 Q193 L194C188-C191 WeakPolarHBondContact O-CB 3.35Å; C188-C191 PolarHBondContact O-N 3.36Å; M189-C191 VanDerWaalsContact C-N 3.3Å; C191-Q193 PolarHBondContact O-N 2.95Å; C191-L194 HydrophobicContact CB-CD1 4.14Å; C191-L194 HydrophobicContact CB-CG 4.32Å; C191-L194 PolarHBondContact O-N 3.38Å; C191-L194 VanDerWaalsContact O-N 3.1Å
192N84.3Confident89.9Confident40 Ų4032.2 Ų32.221%0.21415%0.154CC..G310 helixtrans-61-28.8-179.7174.387.1000113.6P42 D46 L194 L195P42-N192 HydrophobicContact CB-CB 4.09Å; D46-N192 VanDerWaalsContact CG-N 3.34Å; D46-N192 VanDerWaalsContact OD1-CB 3.31Å; D46-N192 WeakPolarHBondContact OD1-CB 3.46Å; D46-N192 PolarHBondContact OD1-N 3.42Å; D46-N192 WeakPolarHBondContact OD2-CB 3.43Å; D46-N192 PolarHBondContact OD2-N 2.81Å; N192-L194 PolarHBondContact O-N 2.89Å; N192-L195 HydrophobicContact CB-CD1 4.31Å; N192-L195 WeakPolarHBondContact O-CB 3.4Å; N192-L195 PolarHBondContact O-N 3.25Å
193Q85.1Confident90Very high105 Ų10531.7 Ų31.749%0.49115%0.151SC..G310 helixtrans-62.3-30178.5-64.8-177.2-5.500112.3C191 Q196C191-Q193 PolarHBondContact O-N 2.95Å; Q193-Q196 VanDerWaalsContact O-CD 3.3Å; Q193-Q196 VanDerWaalsContact O-CG 3.25Å; Q193-Q196 WeakPolarHBondContact O-CG 3.29Å
194L86.4Confident90.1Very high4 Ų426.3 Ų26.32%0.02113%0.127CC..G310 helixtrans-82.8-16.7-179.7-63.6176.1000112.8C188 C191 N192 Q196 F197 L202 L242 V243C188-L194 HydrophobicContact CB-CD1 3.63Å; C191-L194 HydrophobicContact CB-CD1 4.14Å; C191-L194 HydrophobicContact CB-CG 4.32Å; C191-L194 PolarHBondContact O-N 3.38Å; C191-L194 VanDerWaalsContact O-N 3.1Å; N192-L194 PolarHBondContact O-N 2.89Å; L194-Q196 PolarHBondContact O-N 2.75Å; L194-F197 HydrophobicContact CD2-CE2 4.47Å; L194-F197 PolarHBondContact O-N 2.82Å; L194-L202 HydrophobicContact CB-CD1 4.3Å; L194-L202 HydrophobicContact CD1-CD1 4.11Å; L194-L202 HydrophobicContact CD2-CD1 4.4Å; L194-L242 HydrophobicContact CD2-CB 3.75Å; L194-V243 HydrophobicContact CD1-CG2 4.22Å; L194-V243 HydrophobicContact CD2-CG2 3.78Å
195L82.3Confident90.2Very high35 Ų3524.2 Ų24.218%0.18312%0.118CC..G310 helixtrans-68.5-11.8176.7-64172.7000114.1N192 F197N192-L195 HydrophobicContact CB-CD1 4.31Å; N192-L195 WeakPolarHBondContact O-CB 3.4Å; N192-L195 PolarHBondContact O-N 3.25Å; L195-F197 PolarHBondContact O-N 3Å
196Q84.8Confident90.1Very high68 Ų6824.4 Ų24.432%0.31812%0.118SC..G310 helixtrans-69.9-18.6174.374.2-170.111.500112.3R32 Q193 L194 H238R32-Q196 VanDerWaalsContact NH2-OE1 3.08Å; Q193-Q196 VanDerWaalsContact O-CD 3.3Å; Q193-Q196 VanDerWaalsContact O-CG 3.25Å; Q193-Q196 WeakPolarHBondContact O-CG 3.29Å; L194-Q196 PolarHBondContact O-N 2.75Å; Q196-H238 PolarHBondContact NE2-NE2 3.33Å
197F88.3Confident90.1Very high11 Ų1124.1 Ų24.15%0.04812%0.117CC..SBendtrans-100.2151.4178.7-54.9-75.5000111.6W27 L194 L195 M201 H238 C239 L242W27-F197 WeakPolarHBondContact CH2-O 3.49Å; W27-F197 WeakPolarHBondContact CZ3-O 3.31Å; L194-F197 HydrophobicContact CD2-CE2 4.47Å; L194-F197 PolarHBondContact O-N 2.82Å; L195-F197 PolarHBondContact O-N 3Å; F197-M201 HydrophobicContact CB-CB 4.12Å; F197-M201 HydrophobicContact CB-CG 4.25Å; F197-M201 HydrophobicContact CD1-CG 4.27Å; F197-H238 AromaticContact CE1-CD2 3.89Å; F197-H238 HydrophobicContact CZ-CB 4.41Å; F197-H238 AromaticContact CZ-CD2 3.41Å; F197-H238 VanDerWaalsContact CZ-CD2 3.41Å; F197-H238 WeakPolarHBondContact CZ-CD2 3.42Å; F197-C239 HydrophobicContact CD1-CB 3.98Å; F197-C239 HydrophobicContact CD2-CB 4.11Å; F197-C239 HydrophobicContact CE1-CB 3.83Å; F197-C239 HydrophobicContact CE2-CB 3.97Å; F197-C239 HydrophobicContact CG-CB 4.1Å; F197-C239 HydrophobicContact CZ-CB 3.81Å; F197-L242 HydrophobicContact CE2-CD1 3.63Å; F197-L242 HydrophobicContact CZ-CD1 3.87Å
198R90Very high90.2Very high101 Ų10120.7 Ų20.738%0.38110%0.101SC..  trans-57.3149.4168.9-72.9-174.2-173.4176.44.6110.8E23 W27 S200 M201 L202E23-R198 WeakPolarHBondContact OE1-CB 3.22Å; W27-R198 HydrophobicContact CD2-CG 3.65Å; W27-R198 HydrophobicContact CE3-CG 3.92Å; W27-R198 HydrophobicContact CG-CG 4.1Å; W27-R198 HydrophobicContact CH2-CG 4.36Å; W27-R198 HydrophobicContact CZ2-CG 4.09Å; W27-R198 HydrophobicContact CZ3-CG 4.27Å; R198-S200 PolarHBondContact O-N 3.19Å; R198-M201 HydrophobicContact CB-CB 4.27Å; R198-M201 WeakPolarHBondContact O-CA 3.22Å; R198-M201 WeakPolarHBondContact O-CB 3.28Å; R198-M201 PolarHBondContact O-N 3.19Å; R198-L202 PolarHBondContact O-N 3.05Å
199G90.6Very high90.2Very high10 Ų1021.8 Ų21.810%0.10311%0.107CC..Hα-helixtrans-60.4-36.7176.400000112.3E23 M201 L202 A203E23-G199 WeakPolarHBondContact OE1-CA 3.38Å; E23-G199 PolarHBondContact OE1-N 2.96Å; G199-M201 VanDerWaalsContact C-N 3.33Å; G199-M201 PolarHBondContact O-N 3.49Å; G199-L202 PolarHBondContact O-N 3.41Å; G199-A203 WeakPolarHBondContact O-CB 3.44Å; G199-A203 PolarHBondContact O-N 3.37Å
200S93.6Very high90.1Very high1 Ų122.4 Ų22.41%0.00711%0.11CC..Hα-helixtrans-58.8-42170.756.80000112.6E23 F154 R198 L204E23-S200 PolarHBondContact OE1-N 3.13Å; E23-S200 PolarHBondContact OE1-OG 3.1Å; E23-S200 VanDerWaalsContact OE2-CB 3.3Å; E23-S200 WeakPolarHBondContact OE2-CB 3.34Å; E23-S200 PolarHBondContact OE2-OG 3Å; F154-S200 WeakPolarHBondContact CE2-O 3.44Å; R198-S200 PolarHBondContact O-N 3.19Å; S200-L204 VanDerWaalsContact O-CB 3.31Å; S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 PolarHBondContact O-N 3.27Å
201M93.4Very high90Very high13 Ų1322 Ų226%0.06411%0.106CC..Hα-helixtrans-66.2-45.9177.3-166.467.562.400112.4F197 R198 G199 L204 A205 M231 Q235 L236 C239F197-M201 HydrophobicContact CB-CB 4.12Å; F197-M201 HydrophobicContact CB-CG 4.25Å; F197-M201 HydrophobicContact CD1-CG 4.27Å; R198-M201 HydrophobicContact CB-CB 4.27Å; R198-M201 WeakPolarHBondContact O-CA 3.22Å; R198-M201 WeakPolarHBondContact O-CB 3.28Å; R198-M201 PolarHBondContact O-N 3.19Å; G199-M201 VanDerWaalsContact C-N 3.33Å; G199-M201 PolarHBondContact O-N 3.49Å; M201-L204 PolarHBondContact O-N 2.65Å; M201-A205 VanDerWaalsContact O-CB 3.28Å; M201-A205 WeakPolarHBondContact O-CB 3.37Å; M201-A205 PolarHBondContact O-N 3.4Å; M201-M231 HydrophobicContact CB-CE 3.76Å; M201-M231 HydrophobicContact CE-CB 3.87Å; M201-M231 HydrophobicContact CE-CE 3.31Å; M201-M231 HydrophobicContact CE-CG 4.17Å; M201-M231 HydrophobicContact CG-CE 4.18Å; M201-M231 HydrophobicContact SD-CE 3.39Å; M201-M231 WeakPolarHBondContact SD-CE 3.26Å; M201-Q235 HydrophobicContact CE-CB 3.99Å; M201-Q235 HydrophobicContact SD-CB 4.28Å; M201-L236 HydrophobicContact SD-CB 3.96Å; M201-L236 HydrophobicContact SD-CD1 4.09Å; M201-C239 HydrophobicContact CG-CB 4.01Å
202L93.7Very high90.2Very high8 Ų825.6 Ų25.64%0.04212%0.121CC..Hα-helixtrans-60.5-47.2176.6178.759.8000111.3P147 L185 C188 L194 R198 G199 A205 M206 V243P147-L202 HydrophobicContact CB-CD2 4.34Å; L185-L202 HydrophobicContact CD1-CD2 3.85Å; L185-L202 HydrophobicContact CD1-CG 3.91Å; C188-L202 HydrophobicContact CB-CD1 4.32Å; L194-L202 HydrophobicContact CB-CD1 4.3Å; L194-L202 HydrophobicContact CD1-CD1 4.11Å; L194-L202 HydrophobicContact CD2-CD1 4.4Å; R198-L202 PolarHBondContact O-N 3.05Å; G199-L202 PolarHBondContact O-N 3.41Å; L202-A205 PolarHBondContact O-N 3.08Å; L202-M206 WeakPolarHBondContact O-CG 3.45Å; L202-M206 PolarHBondContact O-N 3.44Å; L202-V243 HydrophobicContact CD1-CG2 3.54Å
203A95.3Very high90.3Very high0 Ų030.5 Ų30.50%014%0.141CC..Hα-helixtrans-63.2-44.617900000112.3P147 F150 L151 F154 G199 M206 V207P147-A203 WeakPolarHBondContact O-CB 3.44Å; F150-A203 HydrophobicContact CB-CB 3.55Å; L151-A203 HydrophobicContact CB-CB 4.24Å; F154-A203 HydrophobicContact CD2-CB 3.99Å; F154-A203 HydrophobicContact CE2-CB 4.14Å; G199-A203 WeakPolarHBondContact O-CB 3.44Å; G199-A203 PolarHBondContact O-N 3.37Å; A203-M206 PolarHBondContact O-N 2.99Å; A203-V207 WeakPolarHBondContact O-CG2 3.36Å; A203-V207 PolarHBondContact O-N 3.22Å
204L94.8Very high90.2Very high0 Ų027 Ų270%013%0.125CC..Hα-helixtrans-65.1-42.2178-177.959.4000111.8F154 S200 M201 M206 V207 S208 L225 L226 M231 L236F154-L204 HydrophobicContact CD2-CB 4.22Å; F154-L204 HydrophobicContact CE2-CB 3.85Å; F154-L204 HydrophobicContact CZ-CB 4.42Å; S200-L204 VanDerWaalsContact O-CB 3.31Å; S200-L204 WeakPolarHBondContact O-CB 3.49Å; S200-L204 PolarHBondContact O-N 3.27Å; M201-L204 PolarHBondContact O-N 2.65Å; L204-M206 VanDerWaalsContact C-N 3.32Å; L204-M206 PolarHBondContact O-N 3.19Å; L204-V207 PolarHBondContact O-N 2.91Å; L204-S208 WeakPolarHBondContact O-CB 3.34Å; L204-S208 PolarHBondContact O-N 3.44Å; L204-S208 PolarHBondContact O-OG 3.33Å; L204-L225 HydrophobicContact CD1-CB 3.62Å; L204-L225 HydrophobicContact CD1-CD1 3.92Å; L204-L225 HydrophobicContact CD1-CG 4.44Å; L204-L226 HydrophobicContact CD2-CB 4.07Å; L204-L226 HydrophobicContact CD2-CD1 3.79Å; L204-M231 HydrophobicContact CB-CE 4.12Å; L204-M231 HydrophobicContact CD2-CE 3.76Å; L204-M231 HydrophobicContact CD2-SD 4.22Å; L204-L236 HydrophobicContact CB-CD1 4.49Å; L204-L236 HydrophobicContact CD2-CD1 4.26Å; L204-L236 HydrophobicContact CD2-CD2 4.44Å; L204-L236 HydrophobicContact CG-CD1 4.1Å
205A94.5Very high90Very high0 Ų027.2 Ų27.20%013%0.126CC..Hα-helixtrans-58.1-46175.500000111M201 L202 S208 L209 L236 C239 R240 V243M201-A205 VanDerWaalsContact O-CB 3.28Å; M201-A205 WeakPolarHBondContact O-CB 3.37Å; M201-A205 PolarHBondContact O-N 3.4Å; L202-A205 PolarHBondContact O-N 3.08Å; A205-S208 PolarHBondContact O-N 2.91Å; A205-S208 PolarHBondContact O-OG 2.97Å; A205-L209 WeakPolarHBondContact O-CG 3.47Å; A205-L209 PolarHBondContact O-N 3.02Å; A205-L209 VanDerWaalsContact O-N 3.08Å; A205-L236 HydrophobicContact CB-CD1 4.07Å; A205-C239 HydrophobicContact CB-CB 4.08Å; A205-R240 HydrophobicContact CB-CG 3.77Å; A205-V243 HydrophobicContact CB-CG2 4.42Å
206M93.3Very high90.1Very high3 Ų331.9 Ų31.92%0.01516%0.159CC..Hα-helixtrans-61.5-48.6176-75.1-171.171.300113.2Q184 L185 C188 L202 A203 L204 S208 L209 E210 V243Q184-M206 HydrophobicContact CB-CE 3.49Å; Q184-M206 VanDerWaalsContact CB-CE 3.49Å; L185-M206 VanDerWaalsContact CA-CE 3.45Å; L185-M206 VanDerWaalsContact CA-SD 3.51Å; L185-M206 HydrophobicContact CB-CE 3.75Å; L185-M206 HydrophobicContact CB-SD 3.61Å; L185-M206 HydrophobicContact CD1-SD 3.36Å; L185-M206 WeakPolarHBondContact CD1-SD 3.32Å; L185-M206 HydrophobicContact CG-SD 4.07Å; C188-M206 HydrophobicContact CB-SD 4.39Å; L202-M206 WeakPolarHBondContact O-CG 3.45Å; L202-M206 PolarHBondContact O-N 3.44Å; A203-M206 PolarHBondContact O-N 2.99Å; L204-M206 VanDerWaalsContact C-N 3.32Å; L204-M206 PolarHBondContact O-N 3.19Å; M206-S208 VanDerWaalsContact C-N 3.31Å; M206-S208 PolarHBondContact O-N 3.41Å; M206-L209 PolarHBondContact O-N 3.25Å; M206-E210 WeakPolarHBondContact O-CG 3.48Å; M206-E210 PolarHBondContact O-N 2.8Å; M206-V243 HydrophobicContact CG-CG1 3.74Å
207V92.3Very high90.1Very high2 Ų231.9 Ų31.91%0.01216%0.161CC..Hα-helixtrans-59.9-44.9176.8172.80000110.1L151 F154 A203 L204 L209 E210 M211 L225L151-V207 HydrophobicContact CD1-CG2 3.63Å; F154-V207 HydrophobicContact CB-CG2 4.06Å; A203-V207 WeakPolarHBondContact O-CG2 3.36Å; A203-V207 PolarHBondContact O-N 3.22Å; L204-V207 PolarHBondContact O-N 2.91Å; V207-L209 PolarHBondContact O-N 3.45Å; V207-E210 PolarHBondContact O-N 2.88Å; V207-E210 VanDerWaalsContact O-N 3.15Å; V207-M211 HydrophobicContact CG1-CE 4.46Å; V207-M211 HydrophobicContact CG1-CG 3.86Å; V207-M211 WeakPolarHBondContact O-CB 3.46Å; V207-M211 WeakPolarHBondContact O-CG 3.32Å; V207-M211 PolarHBondContact O-N 2.91Å; V207-L225 HydrophobicContact CG1-CD1 4.46Å
208S93.2Very high90.2Very high0 Ų033.8 Ų33.80%017%0.168CC..Hα-helixtrans-60.9-41.9-178.572.90000113.3L204 A205 M206 E210 M211 E212 R240L204-S208 WeakPolarHBondContact O-CB 3.34Å; L204-S208 PolarHBondContact O-N 3.44Å; L204-S208 PolarHBondContact O-OG 3.33Å; A205-S208 PolarHBondContact O-N 2.91Å; A205-S208 PolarHBondContact O-OG 2.97Å; M206-S208 VanDerWaalsContact C-N 3.31Å; M206-S208 PolarHBondContact O-N 3.41Å; S208-E210 VanDerWaalsContact C-N 3.27Å; S208-E210 PolarHBondContact O-N 2.9Å; S208-M211 PolarHBondContact O-N 3.46Å; S208-E212 WeakPolarHBondContact O-CB 3.4Å; S208-E212 PolarHBondContact O-N 2.94Å; S208-R240 WeakPolarHBondContact OG-CD 3.28Å; S208-R240 WeakPolarHBondContact OG-CG 3.4Å; S208-R240 PolarHBondContact OG-NE 2.94Å
209L91.8Very high90.2Very high22 Ų2233.4 Ų33.412%0.11517%0.173CC..Hα-helixtrans-64.6-32.9177.2-73.3169.5000112.2A205 M206 V207 R240 V243 A244A205-L209 WeakPolarHBondContact O-CG 3.47Å; A205-L209 PolarHBondContact O-N 3.02Å; A205-L209 VanDerWaalsContact O-N 3.08Å; M206-L209 PolarHBondContact O-N 3.25Å; V207-L209 PolarHBondContact O-N 3.45Å; L209-R240 HydrophobicContact CD2-CB 4.35Å; L209-R240 HydrophobicContact CG-CB 4.45Å; L209-R240 HydrophobicContact CG-CG 4.42Å; L209-V243 HydrophobicContact CD1-CB 3.98Å; L209-V243 HydrophobicContact CD1-CG1 3.63Å; L209-A244 HydrophobicContact CD1-CB 4.1Å; L209-A244 HydrophobicContact CD2-CB 4.17Å
210E88.9Confident90.2Very high22 Ų2235.3 Ų35.310%0.10318%0.184CC..Hα-helixtrans-83.4-35.2179.9-65.4-70.6163.500110.9L181 Q184 M206 V207 S208 E212 K213 L214L181-E210 HydrophobicContact CD2-CB 3.88Å; L181-E210 HydrophobicContact CD2-CG 3.44Å; L181-E210 VanDerWaalsContact CD2-CG 3.44Å; Q184-E210 PolarHBondContact NE2-OE1 3.08Å; M206-E210 WeakPolarHBondContact O-CG 3.48Å; M206-E210 PolarHBondContact O-N 2.8Å; V207-E210 PolarHBondContact O-N 2.88Å; V207-E210 VanDerWaalsContact O-N 3.15Å; S208-E210 VanDerWaalsContact C-N 3.27Å; S208-E210 PolarHBondContact O-N 2.9Å; E210-E212 VanDerWaalsContact C-N 3.31Å; E210-E212 PolarHBondContact O-N 3.41Å; E210-K213 PolarHBondContact O-N 3.23Å; E210-K213 IonicContact OE1-NZ 3.07Å; E210-K213 PolarHBondContact OE1-NZ 3.31Å; E210-K213 IonicContact OE2-NZ 3.38Å; E210-K213 PolarHBondContact OE2-NZ 3Å; E210-K213 VanDerWaalsContact OE2-NZ 3.07Å; E210-L214 WeakPolarHBondContact O-CG 3.38Å; E210-L214 PolarHBondContact O-N 3.01Å
211M87Confident90Very high3 Ų335.2 Ų35.22%0.01518%0.184CC..Hα-helixtrans-63.7-36.7171.6-66.3-56.1104.300112A158 L165 V207 S208 K213 L214 I215 W218 L221A158-M211 HydrophobicContact CB-SD 4.32Å; L165-M211 HydrophobicContact CD1-SD 3.64Å; L165-M211 HydrophobicContact CD2-CE 4.23Å; L165-M211 HydrophobicContact CD2-SD 3.54Å; L165-M211 VanDerWaalsContact CD2-SD 3.54Å; L165-M211 HydrophobicContact CG-SD 4.26Å; V207-M211 HydrophobicContact CG1-CE 4.46Å; V207-M211 HydrophobicContact CG1-CG 3.86Å; V207-M211 WeakPolarHBondContact O-CB 3.46Å; V207-M211 WeakPolarHBondContact O-CG 3.32Å; V207-M211 PolarHBondContact O-N 2.91Å; S208-M211 PolarHBondContact O-N 3.46Å; M211-K213 PolarHBondContact O-N 3.36Å; M211-L214 HydrophobicContact CE-CD1 4Å; M211-L214 PolarHBondContact O-N 3.41Å; M211-I215 HydrophobicContact CB-CD1 4.49Å; M211-I215 HydrophobicContact CB-CG1 4.32Å; M211-I215 WeakPolarHBondContact O-CG1 3.42Å; M211-I215 PolarHBondContact O-N 3.41Å; M211-W218 HydrophobicContact CB-CB 3.98Å; M211-L221 HydrophobicContact CB-CD2 4.5Å; M211-L221 HydrophobicContact CG-CD2 3.8Å; M211-L221 HydrophobicContact SD-CD2 3.92Å
212E90.1Very high89.8Confident89 Ų8934.9 Ų34.942%0.41618%0.183SC..Hα-helixtrans-56.8-32.2176.1178.8174-159.100113S208 E210 W218 R240S208-E212 WeakPolarHBondContact O-CB 3.4Å; S208-E212 PolarHBondContact O-N 2.94Å; E210-E212 VanDerWaalsContact C-N 3.31Å; E210-E212 PolarHBondContact O-N 3.41Å; E212-W218 HydrophobicContact CB-CB 4.49Å; E212-W218 HydrophobicContact CB-CD2 3.91Å; E212-W218 HydrophobicContact CB-CE3 4.35Å; E212-W218 HydrophobicContact CB-CG 3.97Å; E212-W218 HydrophobicContact CG-CD2 4.21Å; E212-W218 HydrophobicContact CG-CG 4.4Å; E212-W218 HydrophobicContact CG-CZ2 4.36Å; E212-R240 IonicContact OE1-NH2 3.06Å; E212-R240 IonicContact OE2-CZ 3.5Å; E212-R240 IonicContact OE2-NH2 3.77Å; E212-R240 PolarHBondContact OE2-NH2 3.46Å
213K86.4Confident89.6Confident143 Ų14338.1 Ų38.162%0.62220%0.199SC*.Hα-helixtrans-79.5-23.3177-59.4171.4-165.2166.50113.1E210 M211E210-K213 PolarHBondContact O-N 3.23Å; E210-K213 IonicContact OE1-NZ 3.07Å; E210-K213 PolarHBondContact OE1-NZ 3.31Å; E210-K213 IonicContact OE2-NZ 3.38Å; E210-K213 PolarHBondContact OE2-NZ 3Å; E210-K213 VanDerWaalsContact OE2-NZ 3.07Å; M211-K213 PolarHBondContact O-N 3.36Å
214L83.8Confident89.4Confident32 Ų3241.3 Ų41.317%0.16821%0.214CC..Hα-helixtrans-103.3-35.9-167.8-65.2175.5000113.3L165 S168 L169 E210 M211L165-L214 HydrophobicContact CD2-CB 3.99Å; L165-L214 HydrophobicContact CD2-CD1 4.16Å; S168-L214 WeakPolarHBondContact CB-O 3.5Å; L169-L214 HydrophobicContact CD2-CD1 4.03Å; L169-L214 HydrophobicContact CD2-CD2 4.36Å; L169-L214 HydrophobicContact CG-CD1 4.34Å; E210-L214 WeakPolarHBondContact O-CG 3.38Å; E210-L214 PolarHBondContact O-N 3.01Å; M211-L214 HydrophobicContact CE-CD1 4Å; M211-L214 PolarHBondContact O-N 3.41Å
215I83.1Confident89.2Confident8 Ų841.5 Ų41.54%0.04122%0.215CC..  trans-134.6142.9-172.955.3165.9000112.4Q164 L165 M211 D217 W218 L221Q164-I215 HydrophobicContact CG-CG2 4.39Å; L165-I215 HydrophobicContact CD2-CD1 4.36Å; L165-I215 HydrophobicContact CD2-CG1 4.31Å; L165-I215 HydrophobicContact CD2-CG2 3.54Å; L165-I215 HydrophobicContact CG-CG2 4.2Å; M211-I215 HydrophobicContact CB-CD1 4.49Å; M211-I215 HydrophobicContact CB-CG1 4.32Å; M211-I215 WeakPolarHBondContact O-CG1 3.42Å; M211-I215 PolarHBondContact O-N 3.41Å; I215-D217 VanDerWaalsContact C-N 3.29Å; I215-D217 PolarHBondContact O-N 2.69Å; I215-W218 HydrophobicContact CD1-CB 4.44Å; I215-W218 HydrophobicContact CG1-CB 4.01Å; I215-L221 HydrophobicContact CD1-CD2 4.03Å
216P83.5Confident89Confident133 Ų13342.3 Ų42.386%0.86422%0.219SC*.THydrogen-bonded Turntrans-70-25.9176.827.7-34.2000113W218P216-W218 VanDerWaalsContact C-N 3.32Å; P216-W218 PolarHBondContact O-N 3.09Å
217D85.2Confident88.8Confident68 Ų6848.7 Ų48.736%0.36425%0.249SC..THydrogen-bonded Turntrans-96.129.5-178.3-169.439.7000112.8R162 I215 L219 S220 L221R162-D217 IonicContact CZ-OD2 2.76Å; R162-D217 IonicContact NE-OD2 2.57Å; R162-D217 PolarHBondContact NE-OD2 3.14Å; R162-D217 IonicContact NH2-OD2 3.78Å; R162-D217 PolarHBondContact NH2-OD2 3.42Å; I215-D217 VanDerWaalsContact C-N 3.29Å; I215-D217 PolarHBondContact O-N 2.69Å; D217-L219 PolarHBondContact O-N 3.29Å; D217-S220 PolarHBondContact O-N 2.85Å; D217-S220 WeakPolarHBondContact OD1-CB 3.38Å; D217-S220 PolarHBondContact OD1-OG 3.09Å; D217-L221 PolarHBondContact O-N 2.89Å
218W89.1Confident88.6Confident52 Ų5253.5 Ų53.520%0.19727%0.27CS..Hα-helixtrans-61.8-32.4-177.567.7-92.6000112.7M211 E212 I215 P216 T222M211-W218 HydrophobicContact CB-CB 3.98Å; E212-W218 HydrophobicContact CB-CB 4.49Å; E212-W218 HydrophobicContact CB-CD2 3.91Å; E212-W218 HydrophobicContact CB-CE3 4.35Å; E212-W218 HydrophobicContact CB-CG 3.97Å; E212-W218 HydrophobicContact CG-CD2 4.21Å; E212-W218 HydrophobicContact CG-CG 4.4Å; E212-W218 HydrophobicContact CG-CZ2 4.36Å; I215-W218 HydrophobicContact CD1-CB 4.44Å; I215-W218 HydrophobicContact CG1-CB 4.01Å; P216-W218 VanDerWaalsContact C-N 3.32Å; P216-W218 PolarHBondContact O-N 3.09Å; W218-T222 WeakPolarHBondContact O-CB 3.09Å; W218-T222 PolarHBondContact O-N 3.45Å; W218-T222 PolarHBondContact O-OG1 3.03Å
219L90.3Very high88.4Confident92 Ų9253.6 Ų53.648%0.48227%0.271SS..Hα-helixtrans-68.7-45.3-177.1-176.762.8000111.2D217 L221 T222 I223D217-L219 PolarHBondContact O-N 3.29Å; L219-L221 VanDerWaalsContact C-N 3.35Å; L219-L221 PolarHBondContact O-N 2.9Å; L219-T222 WeakPolarHBondContact O-CB 3.39Å; L219-T222 PolarHBondContact O-N 3.3Å; L219-T222 VanDerWaalsContact O-N 3.13Å; L219-I223 HydrophobicContact CD1-CD1 4.3Å; L219-I223 HydrophobicContact CD1-CG1 4.49Å; L219-I223 HydrophobicContact CG-CD1 4Å; L219-I223 WeakPolarHBondContact O-CG1 3.33Å; L219-I223 PolarHBondContact O-N 2.83Å
220S90.6Very high88.1Confident50 Ų5059.9 Ų59.935%0.3530%0.3SS..Hα-helixtrans-61.1-44.7177.5-51.40000111.1D217 T222 I223 E224D217-S220 PolarHBondContact O-N 2.85Å; D217-S220 WeakPolarHBondContact OD1-CB 3.38Å; D217-S220 PolarHBondContact OD1-OG 3.09Å; S220-T222 VanDerWaalsContact C-N 3.3Å; S220-T222 PolarHBondContact O-N 3.17Å; S220-I223 PolarHBondContact O-N 3.32Å; S220-E224 WeakPolarHBondContact O-CG 3.36Å; S220-E224 PolarHBondContact O-N 2.89Å
221L89.1Confident88Confident0 Ų059.9 Ų59.90%030%0.3CS..Hα-helixtrans-57.4-44.9173.3179.158.2000111.8A158 M211 I215 D217 L219 I223 E224 L225A158-L221 HydrophobicContact CB-CD1 4.38Å; A158-L221 HydrophobicContact CB-CD2 3.86Å; M211-L221 HydrophobicContact CB-CD2 4.5Å; M211-L221 HydrophobicContact CG-CD2 3.8Å; M211-L221 HydrophobicContact SD-CD2 3.92Å; I215-L221 HydrophobicContact CD1-CD2 4.03Å; D217-L221 PolarHBondContact O-N 2.89Å; L219-L221 VanDerWaalsContact C-N 3.35Å; L219-L221 PolarHBondContact O-N 2.9Å; L221-I223 VanDerWaalsContact C-N 3.33Å; L221-I223 PolarHBondContact O-N 3.43Å; L221-E224 PolarHBondContact O-N 2.95Å; L221-L225 HydrophobicContact CD1-CD1 4.2Å; L221-L225 HydrophobicContact CD1-CG 4.19Å; L221-L225 HydrophobicContact CG-CD1 4.2Å; L221-L225 WeakPolarHBondContact O-CG 3.34Å; L221-L225 PolarHBondContact O-N 3.4Å
222T90.1Very high87.7Confident6 Ų664 Ų644%0.03732%0.322CS..Hα-helixtrans-64.6-40.2-178.6-58.30000111.1W218 L219 S220 L225 L226 L236W218-T222 WeakPolarHBondContact O-CB 3.09Å; W218-T222 PolarHBondContact O-N 3.45Å; W218-T222 PolarHBondContact O-OG1 3.03Å; L219-T222 WeakPolarHBondContact O-CB 3.39Å; L219-T222 PolarHBondContact O-N 3.3Å; L219-T222 VanDerWaalsContact O-N 3.13Å; S220-T222 VanDerWaalsContact C-N 3.3Å; S220-T222 PolarHBondContact O-N 3.17Å; T222-L225 PolarHBondContact O-N 2.94Å; T222-L226 VanDerWaalsContact O-CB 3.27Å; T222-L226 WeakPolarHBondContact O-CB 3.04Å; T222-L226 PolarHBondContact O-N 2.98Å; T222-L236 HydrophobicContact CG2-CD2 3.6Å
223I89.9Confident87.4Confident75 Ų7563.1 Ų63.139%0.38533%0.326SS..Hα-helixtrans-66.1-43.9175.9-67.1166.5000110.9L219 S220 L221 L225 L226 Q227L219-I223 HydrophobicContact CD1-CD1 4.3Å; L219-I223 HydrophobicContact CD1-CG1 4.49Å; L219-I223 HydrophobicContact CG-CD1 4Å; L219-I223 WeakPolarHBondContact O-CG1 3.33Å; L219-I223 PolarHBondContact O-N 2.83Å; S220-I223 PolarHBondContact O-N 3.32Å; L221-I223 VanDerWaalsContact C-N 3.33Å; L221-I223 PolarHBondContact O-N 3.43Å; I223-L225 VanDerWaalsContact C-N 3.33Å; I223-L225 PolarHBondContact O-N 3.43Å; I223-L226 PolarHBondContact O-N 3.09Å; I223-Q227 HydrophobicContact CG2-CG 4.35Å; I223-Q227 WeakPolarHBondContact O-CB 3.22Å; I223-Q227 VanDerWaalsContact O-CG 3.31Å; I223-Q227 WeakPolarHBondContact O-CG 3.32Å; I223-Q227 PolarHBondContact O-N 3.21Å
224E90.2Very high87.3Confident68 Ų6859.3 Ų59.332%0.31832%0.317SS..Hα-helixtrans-57.6-45.8175.6-72.3164.7-144.200111.4R162 S220 L221 Q227 K228R162-E224 IonicContact CZ-OE1 3.24Å; R162-E224 IonicContact NH1-OE1 2.73Å; R162-E224 IonicContact NH1-OE2 3.42Å; R162-E224 PolarHBondContact NH1-OE2 3.18Å; R162-E224 IonicContact NH2-OE1 3.47Å; R162-E224 PolarHBondContact NH2-OE1 3.13Å; S220-E224 WeakPolarHBondContact O-CG 3.36Å; S220-E224 PolarHBondContact O-N 2.89Å; L221-E224 PolarHBondContact O-N 2.95Å; E224-Q227 PolarHBondContact O-N 3.08Å; E224-K228 WeakPolarHBondContact O-CB 3.49Å; E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-N 2.72Å
225L90.1Very high87.4Confident3 Ų362 Ų622%0.01633%0.329CS..Hα-helixtrans-66.8-41.6177.7-69.2177.9000112.1F154 I157 L204 V207 L221 T222 I223 K228 A229F154-L225 HydrophobicContact CB-CD1 4.43Å; F154-L225 HydrophobicContact CD1-CD2 4.03Å; I157-L225 HydrophobicContact CB-CD2 3.96Å; I157-L225 HydrophobicContact CD1-CD2 4.35Å; I157-L225 HydrophobicContact CG2-CD2 3.52Å; L204-L225 HydrophobicContact CD1-CB 3.62Å; L204-L225 HydrophobicContact CD1-CD1 3.92Å; L204-L225 HydrophobicContact CD1-CG 4.44Å; V207-L225 HydrophobicContact CG1-CD1 4.46Å; L221-L225 HydrophobicContact CD1-CD1 4.2Å; L221-L225 HydrophobicContact CD1-CG 4.19Å; L221-L225 HydrophobicContact CG-CD1 4.2Å; L221-L225 WeakPolarHBondContact O-CG 3.34Å; L221-L225 PolarHBondContact O-N 3.4Å; T222-L225 PolarHBondContact O-N 2.94Å; I223-L225 VanDerWaalsContact C-N 3.33Å; I223-L225 PolarHBondContact O-N 3.43Å; L225-K228 PolarHBondContact O-N 3.34Å; L225-A229 VanDerWaalsContact O-CB 3.27Å; L225-A229 WeakPolarHBondContact O-CB 3.3Å; L225-A229 PolarHBondContact O-N 2.94Å
226L91.4Very high87.7Confident17 Ų1762.3 Ų62.39%0.08933%0.331CS..Hα-helixtrans-59.8-45.4175.8-173.591.1000111.3L204 T222 I223 A229 Q230 M231 L236L204-L226 HydrophobicContact CD2-CB 4.07Å; L204-L226 HydrophobicContact CD2-CD1 3.79Å; T222-L226 VanDerWaalsContact O-CB 3.27Å; T222-L226 WeakPolarHBondContact O-CB 3.04Å; T222-L226 PolarHBondContact O-N 2.98Å; I223-L226 PolarHBondContact O-N 3.09Å; L226-A229 CarbonylContact O-C 3.5Å; L226-A229 PolarHBondContact O-N 3.3Å; L226-Q230 PolarHBondContact O-N 3.09Å; L226-M231 HydrophobicContact CD1-CB 3.66Å; L226-M231 HydrophobicContact CG-CB 4.16Å; L226-M231 WeakPolarHBondContact CG-O 3.31Å; L226-M231 PolarHBondContact O-N 3.02Å; L226-M231 VanDerWaalsContact O-N 3.17Å; L226-L236 HydrophobicContact CD1-CB 4.4Å; L226-L236 HydrophobicContact CD1-CD2 4.06Å
227Q89.9Confident87.9Confident138 Ų13860.9 Ų60.965%0.64531%0.314SS*.Hα-helixtrans-64.7-46.4177.6-74.7177.3-6.700111.5I223 E224 A229 Q230I223-Q227 HydrophobicContact CG2-CG 4.35Å; I223-Q227 WeakPolarHBondContact O-CB 3.22Å; I223-Q227 VanDerWaalsContact O-CG 3.31Å; I223-Q227 WeakPolarHBondContact O-CG 3.32Å; I223-Q227 PolarHBondContact O-N 3.21Å; E224-Q227 PolarHBondContact O-N 3.08Å; Q227-A229 PolarHBondContact O-N 3.13Å; Q227-Q230 PolarHBondContact O-N 3.44Å; Q227-Q230 VanDerWaalsContact O-N 3.12Å
228K87.8Confident88.2Confident102 Ų10261.3 Ų61.344%0.44331%0.314SS..Hα-helixtrans-59.5-33.1174.9-77.6178.2176.9-66.70112.2L16 E224 L225L16-K228 HydrophobicContact CD2-CB 4.02Å; E224-K228 WeakPolarHBondContact O-CB 3.49Å; E224-K228 WeakPolarHBondContact O-CG 3.37Å; E224-K228 PolarHBondContact O-N 2.72Å; L225-K228 PolarHBondContact O-N 3.34Å
229A87.8Confident88.3Confident3 Ų358.8 Ų58.83%0.02531%0.305CS..THydrogen-bonded Turntrans-89.1-2.3179.700000114.9I20 F154 L225 L226 Q227 M231I20-A229 VanDerWaalsContact CD1-CA 3.46Å; I20-A229 HydrophobicContact CD1-CB 3.96Å; F154-A229 HydrophobicContact CE1-CB 4.14Å; F154-A229 HydrophobicContact CZ-CB 4Å; L225-A229 VanDerWaalsContact O-CB 3.27Å; L225-A229 WeakPolarHBondContact O-CB 3.3Å; L225-A229 PolarHBondContact O-N 2.94Å; L226-A229 CarbonylContact O-C 3.5Å; L226-A229 PolarHBondContact O-N 3.3Å; Q227-A229 PolarHBondContact O-N 3.13Å; A229-M231 VanDerWaalsContact C-N 3.29Å; A229-M231 HydrophobicContact CB-CG 3.92Å; A229-M231 HydrophobicContact CB-SD 3.31Å; A229-M231 WeakPolarHBondContact CB-SD 3.39Å; A229-M231 WeakPolarHBondContact O-CG 3.43Å; A229-M231 PolarHBondContact O-N 3.37Å
230Q86.9Confident88.4Confident153 Ų15356.4 Ų56.472%0.71529%0.289SS*.THydrogen-bonded Turntrans54.242.2-178.8-54.4-179.134.800113.2L226 Q227L226-Q230 PolarHBondContact O-N 3.09Å; Q227-Q230 PolarHBondContact O-N 3.44Å; Q227-Q230 VanDerWaalsContact O-N 3.12Å
231M85.6Confident88.5Confident22 Ų2259.7 Ų59.711%0.10830%0.299CS..  trans-104.3149.9-174.3-72.5161.962.500112.5M201 L204 L226 A229M201-M231 HydrophobicContact CB-CE 3.76Å; M201-M231 HydrophobicContact CE-CB 3.87Å; M201-M231 HydrophobicContact CE-CE 3.31Å; M201-M231 HydrophobicContact CE-CG 4.17Å; M201-M231 HydrophobicContact CG-CE 4.18Å; M201-M231 HydrophobicContact SD-CE 3.39Å; M201-M231 WeakPolarHBondContact SD-CE 3.26Å; L204-M231 HydrophobicContact CB-CE 4.12Å; L204-M231 HydrophobicContact CD2-CE 3.76Å; L204-M231 HydrophobicContact CD2-SD 4.22Å; L226-M231 HydrophobicContact CD1-CB 3.66Å; L226-M231 HydrophobicContact CG-CB 4.16Å; L226-M231 WeakPolarHBondContact CG-O 3.31Å; L226-M231 PolarHBondContact O-N 3.02Å; L226-M231 VanDerWaalsContact O-N 3.17Å; A229-M231 VanDerWaalsContact C-N 3.29Å; A229-M231 HydrophobicContact CB-CG 3.92Å; A229-M231 HydrophobicContact CB-SD 3.31Å; A229-M231 WeakPolarHBondContact CB-SD 3.39Å; A229-M231 WeakPolarHBondContact O-CG 3.43Å; A229-M231 PolarHBondContact O-N 3.37Å
232D81.4Confident88.6Confident90 Ų9061.4 Ų61.448%0.48131%0.308SS..  trans-77.8126.5175.4-178.78.1000111.2S234D232-S234 PolarHBondContact O-N 2.99Å; D232-S234 PolarHBondContact OD1-N 3.36Å; D232-S234 PolarHBondContact OD1-OG 2.95Å; D232-S234 WeakPolarHBondContact OD2-CB 3.42Å; D232-S234 PolarHBondContact OD2-OG 3.04Å
233S84.4Confident88.7Confident71 Ų7161.1 Ų61.150%0.49731%0.306SS..Hα-helixtrans-62.8-26.4176.250.50000113.5Q235 L236S233-Q235 VanDerWaalsContact C-N 3.31Å; S233-Q235 PolarHBondContact O-N 3.05Å; S233-L236 PolarHBondContact O-N 3.37Å
234S83.1Confident88.8Confident63 Ų6359.6 Ų59.644%0.44131%0.305SS..Hα-helixtrans-63.2-38.5-17780.60000112.1D232D232-S234 PolarHBondContact O-N 2.99Å; D232-S234 PolarHBondContact OD1-N 3.36Å; D232-S234 PolarHBondContact OD1-OG 2.95Å; D232-S234 WeakPolarHBondContact OD2-CB 3.42Å; D232-S234 PolarHBondContact OD2-OG 3.04Å
235Q85.6Confident88.8Confident88 Ų8862 Ų6241%0.41132%0.316SS..Hα-helixtrans-78.1-24.7-179.8-62.9-59.8-46.500112.5M201 S233 C239M201-Q235 HydrophobicContact CE-CB 3.99Å; M201-Q235 HydrophobicContact SD-CB 4.28Å; S233-Q235 VanDerWaalsContact C-N 3.31Å; S233-Q235 PolarHBondContact O-N 3.05Å; Q235-C239 VanDerWaalsContact O-CB 3.27Å; Q235-C239 WeakPolarHBondContact O-CB 3.36Å; Q235-C239 PolarHBondContact O-N 3.12Å
236L89.4Confident88.8Confident15 Ų1563.7 Ų63.78%0.07932%0.324CS..Hα-helixtrans-65.7-43.9-177.218063.7000111.6M201 L204 A205 T222 L226 S233 H238 C239 R240M201-L236 HydrophobicContact SD-CB 3.96Å; M201-L236 HydrophobicContact SD-CD1 4.09Å; L204-L236 HydrophobicContact CB-CD1 4.49Å; L204-L236 HydrophobicContact CD2-CD1 4.26Å; L204-L236 HydrophobicContact CD2-CD2 4.44Å; L204-L236 HydrophobicContact CG-CD1 4.1Å; A205-L236 HydrophobicContact CB-CD1 4.07Å; T222-L236 HydrophobicContact CG2-CD2 3.6Å; L226-L236 HydrophobicContact CD1-CB 4.4Å; L226-L236 HydrophobicContact CD1-CD2 4.06Å; S233-L236 PolarHBondContact O-N 3.37Å; L236-H238 PolarHBondContact O-N 2.68Å; L236-C239 PolarHBondContact O-N 3.2Å; L236-R240 HydrophobicContact CD1-CG 4.14Å; L236-R240 HydrophobicContact CG-CG 4.33Å; L236-R240 WeakPolarHBondContact O-CB 3.4Å; L236-R240 VanDerWaalsContact O-CG 3.25Å; L236-R240 WeakPolarHBondContact O-CG 3.44Å; L236-R240 PolarHBondContact O-N 3.28Å
237I89.3Confident88.6Confident102 Ų10264.3 Ų64.352%0.52333%0.327SS..Hα-helixtrans-60.9-49.8-179.7-60.4173.3000109.8C239 R240 E241I237-C239 VanDerWaalsContact C-N 3.34Å; I237-C239 PolarHBondContact O-N 3.5Å; I237-R240 PolarHBondContact O-N 3.23Å; I237-E241 WeakPolarHBondContact O-CG 3.35Å; I237-E241 PolarHBondContact O-N 3.27Å
238H90.3Very high88.5Confident77 Ų7760.7 Ų60.736%0.35632%0.317SS..Hα-helixtrans-61.9-41.1178.9-174.444.2000112.4Q196 F197 L236 E241 L242Q196-H238 PolarHBondContact NE2-NE2 3.33Å; F197-H238 AromaticContact CE1-CD2 3.89Å; F197-H238 HydrophobicContact CZ-CB 4.41Å; F197-H238 AromaticContact CZ-CD2 3.41Å; F197-H238 VanDerWaalsContact CZ-CD2 3.41Å; F197-H238 WeakPolarHBondContact CZ-CD2 3.42Å; L236-H238 PolarHBondContact O-N 2.68Å; H238-E241 PolarHBondContact O-N 3.08Å; H238-L242 WeakPolarHBondContact O-CG 3.39Å; H238-L242 PolarHBondContact O-N 3.38Å; H238-L242 VanDerWaalsContact O-N 3.15Å
239C91.9Very high88.3Confident0 Ų058.5 Ų58.50%031%0.312CS..Hα-helixtrans-63.5-44.1175.9-168.80000111.6F197 M201 A205 Q235 L236 I237 E241 L242 V243F197-C239 HydrophobicContact CD1-CB 3.98Å; F197-C239 HydrophobicContact CD2-CB 4.11Å; F197-C239 HydrophobicContact CE1-CB 3.83Å; F197-C239 HydrophobicContact CE2-CB 3.97Å; F197-C239 HydrophobicContact CG-CB 4.1Å; F197-C239 HydrophobicContact CZ-CB 3.81Å; M201-C239 HydrophobicContact CG-CB 4.01Å; A205-C239 HydrophobicContact CB-CB 4.08Å; Q235-C239 VanDerWaalsContact O-CB 3.27Å; Q235-C239 WeakPolarHBondContact O-CB 3.36Å; Q235-C239 PolarHBondContact O-N 3.12Å; L236-C239 PolarHBondContact O-N 3.2Å; I237-C239 VanDerWaalsContact C-N 3.34Å; I237-C239 PolarHBondContact O-N 3.5Å; C239-E241 PolarHBondContact O-N 2.87Å; C239-L242 PolarHBondContact O-N 3.42Å; C239-V243 WeakPolarHBondContact O-CB 3.3Å; C239-V243 VanDerWaalsContact O-CG2 3.24Å; C239-V243 WeakPolarHBondContact O-CG2 3.35Å; C239-V243 PolarHBondContact O-N 2.88Å
240R92.8Very high87.5Confident41 Ų4160.8 Ų60.816%0.15532%0.324CS..Hα-helixtrans-59.5-45.8176.9-75176.674.3-138.1-0.2112A205 S208 L209 E212 L236 I237 L242 V243 A244A205-R240 HydrophobicContact CB-CG 3.77Å; S208-R240 WeakPolarHBondContact OG-CD 3.28Å; S208-R240 WeakPolarHBondContact OG-CG 3.4Å; S208-R240 PolarHBondContact OG-NE 2.94Å; L209-R240 HydrophobicContact CD2-CB 4.35Å; L209-R240 HydrophobicContact CG-CB 4.45Å; L209-R240 HydrophobicContact CG-CG 4.42Å; E212-R240 IonicContact OE1-NH2 3.06Å; E212-R240 IonicContact OE2-CZ 3.5Å; E212-R240 IonicContact OE2-NH2 3.77Å; E212-R240 PolarHBondContact OE2-NH2 3.46Å; L236-R240 HydrophobicContact CD1-CG 4.14Å; L236-R240 HydrophobicContact CG-CG 4.33Å; L236-R240 WeakPolarHBondContact O-CB 3.4Å; L236-R240 VanDerWaalsContact O-CG 3.25Å; L236-R240 WeakPolarHBondContact O-CG 3.44Å; L236-R240 PolarHBondContact O-N 3.28Å; I237-R240 PolarHBondContact O-N 3.23Å; R240-L242 PolarHBondContact O-N 2.98Å; R240-V243 PolarHBondContact O-N 3.42Å; R240-A244 VanDerWaalsContact O-CB 3.26Å; R240-A244 WeakPolarHBondContact O-CB 3.31Å; R240-A244 PolarHBondContact O-N 3.47Å
241E91.4Very high86.4Confident120 Ų12060.8 Ų60.856%0.56132%0.324SS*.Hα-helixtrans-60-46.8178.1-72171.5174.100111.8I237 H238 C239 A244 H245I237-E241 WeakPolarHBondContact O-CG 3.35Å; I237-E241 PolarHBondContact O-N 3.27Å; H238-E241 PolarHBondContact O-N 3.08Å; C239-E241 PolarHBondContact O-N 2.87Å; E241-A244 PolarHBondContact O-N 3.4Å; E241-H245 WeakPolarHBondContact O-CB 3.44Å; E241-H245 PolarHBondContact O-N 3.46Å
242L91.6Very high85.1Confident36 Ų3664.3 Ų64.319%0.18835%0.35CS..Hα-helixtrans-65.7-41.1179-72.9175.6000112.4L194 F197 H238 C239 R240 H246L194-L242 HydrophobicContact CD2-CB 3.75Å; F197-L242 HydrophobicContact CE2-CD1 3.63Å; F197-L242 HydrophobicContact CZ-CD1 3.87Å; H238-L242 WeakPolarHBondContact O-CG 3.39Å; H238-L242 PolarHBondContact O-N 3.38Å; H238-L242 VanDerWaalsContact O-N 3.15Å; C239-L242 PolarHBondContact O-N 3.42Å; R240-L242 PolarHBondContact O-N 2.98Å; L242-H246 WeakPolarHBondContact O-CB 3.36Å; L242-H246 PolarHBondContact O-N 3.17Å
243V92.8Very high83.8Confident0 Ų064.1 Ų64.10%036%0.356CS..Hα-helixtrans-63.7-47175.31710000110.6L194 L202 A205 M206 L209 C239 R240 H245 H246 L247L194-V243 HydrophobicContact CD1-CG2 4.22Å; L194-V243 HydrophobicContact CD2-CG2 3.78Å; L202-V243 HydrophobicContact CD1-CG2 3.54Å; A205-V243 HydrophobicContact CB-CG2 4.42Å; M206-V243 HydrophobicContact CG-CG1 3.74Å; L209-V243 HydrophobicContact CD1-CB 3.98Å; L209-V243 HydrophobicContact CD1-CG1 3.63Å; C239-V243 WeakPolarHBondContact O-CB 3.3Å; C239-V243 VanDerWaalsContact O-CG2 3.24Å; C239-V243 WeakPolarHBondContact O-CG2 3.35Å; C239-V243 PolarHBondContact O-N 2.88Å; R240-V243 PolarHBondContact O-N 3.42Å; V243-H245 VanDerWaalsContact C-N 3.34Å; V243-H245 PolarHBondContact O-N 2.97Å; V243-H246 PolarHBondContact O-N 2.92Å; V243-L247 HydrophobicContact CG1-CD1 3.81Å; V243-L247 HydrophobicContact CG1-CG 4.24Å; V243-L247 WeakPolarHBondContact O-CB 3.26Å; V243-L247 VanDerWaalsContact O-CG 3.32Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 3.23Å
244A91.3Very high82.1Confident42 Ų4265.1 Ų65.135%0.34736%0.355SS..Hα-helixtrans-61.2-43179.200000111.8L209 R240 E241 S248L209-A244 HydrophobicContact CD1-CB 4.1Å; L209-A244 HydrophobicContact CD2-CB 4.17Å; R240-A244 VanDerWaalsContact O-CB 3.26Å; R240-A244 WeakPolarHBondContact O-CB 3.31Å; R240-A244 PolarHBondContact O-N 3.47Å; E241-A244 PolarHBondContact O-N 3.4Å; A244-S248 WeakPolarHBondContact O-CB 3.46Å; A244-S248 PolarHBondContact O-N 2.78Å; A244-S248 PolarHBondContact O-OG 3.07Å
245H90.3Very high80.1Confident120 Ų12066.6 Ų66.656%0.55636%0.364SS*.Hα-helixtrans-62.6-45.2174.4-176.6-82.7000111.6E241 V243 S248 T249E241-H245 WeakPolarHBondContact O-CB 3.44Å; E241-H245 PolarHBondContact O-N 3.46Å; V243-H245 VanDerWaalsContact C-N 3.34Å; V243-H245 PolarHBondContact O-N 2.97Å; H245-S248 PolarHBondContact O-N 3.4Å; H245-S248 PolarHBondContact O-OG 3.2Å; H245-T249 VanDerWaalsContact O-CG2 3.32Å; H245-T249 WeakPolarHBondContact O-CG2 3.48Å; H245-T249 PolarHBondContact O-N 3.33Å; H245-T249 VanDerWaalsContact O-N 3.09Å; H245-T249 PolarHBondContact O-OG1 2.65Å
246H89.4Confident78.1Confident38 Ų3870.8 Ų70.818%0.17639%0.388CS..Hα-helixtrans-63.3-46178.6-172.562.7000112L242 V243 S248 T249 L250L242-H246 WeakPolarHBondContact O-CB 3.36Å; L242-H246 PolarHBondContact O-N 3.17Å; V243-H246 PolarHBondContact O-N 2.92Å; H246-S248 VanDerWaalsContact C-N 3.34Å; H246-S248 PolarHBondContact O-N 3.44Å; H246-T249 PolarHBondContact O-N 3.13Å; H246-T249 PolarHBondContact O-OG1 3.39Å; H246-L250 WeakPolarHBondContact O-CG 3.34Å; H246-L250 PolarHBondContact O-N 3.4Å; H246-L250 VanDerWaalsContact O-N 3.14Å
247L88.5Confident75.8Confident29 Ų2977.3 Ų77.315%0.15242%0.423CS..Hα-helixtrans-64.3-36.4178.8-67.5177.7000112.7Q184 V243 L250 Q251Q184-L247 HydrophobicContact CB-CD2 3.99Å; Q184-L247 HydrophobicContact CG-CD2 4.23Å; V243-L247 HydrophobicContact CG1-CD1 3.81Å; V243-L247 HydrophobicContact CG1-CG 4.24Å; V243-L247 WeakPolarHBondContact O-CB 3.26Å; V243-L247 VanDerWaalsContact O-CG 3.32Å; V243-L247 WeakPolarHBondContact O-CG 3.45Å; V243-L247 PolarHBondContact O-N 3.23Å; L247-L250 HydrophobicContact CD2-CD1 4.3Å; L247-L250 PolarHBondContact O-N 2.9Å; L247-Q251 PolarHBondContact O-N 3.07Å; L247-Q251 VanDerWaalsContact O-N 3.13Å
248S87.2Confident74Confident62 Ų6275.2 Ų75.243%0.43442%0.417SS..Hα-helixtrans-68.9-38.3176.670.10000112.3A244 H245 H246 L250 Q251 S252A244-S248 WeakPolarHBondContact O-CB 3.46Å; A244-S248 PolarHBondContact O-N 2.78Å; A244-S248 PolarHBondContact O-OG 3.07Å; H245-S248 PolarHBondContact O-N 3.4Å; H245-S248 PolarHBondContact O-OG 3.2Å; H246-S248 VanDerWaalsContact C-N 3.34Å; H246-S248 PolarHBondContact O-N 3.44Å; S248-L250 VanDerWaalsContact C-N 3.3Å; S248-L250 PolarHBondContact O-N 3.46Å; S248-Q251 PolarHBondContact O-N 3.34Å; S248-S252 PolarHBondContact O-N 3.28Å; S248-S252 PolarHBondContact O-OG 3.47Å
249T82.8Confident71.6Confident56 Ų5677.5 Ų77.534%0.34444%0.436SS..Hα-helixtrans-63.8-34.9174.560.30000112.8H245 H246 S252 S253H245-T249 VanDerWaalsContact O-CG2 3.32Å; H245-T249 WeakPolarHBondContact O-CG2 3.48Å; H245-T249 PolarHBondContact O-N 3.33Å; H245-T249 VanDerWaalsContact O-N 3.09Å; H245-T249 PolarHBondContact O-OG1 2.65Å; H246-T249 PolarHBondContact O-N 3.13Å; H246-T249 PolarHBondContact O-OG1 3.39Å; T249-S252 WeakPolarHBondContact CA-OG 3.38Å; T249-S252 PolarHBondContact O-OG 2.94Å; T249-S252 VanDerWaalsContact O-OG 3.07Å; T249-S253 WeakPolarHBondContact O-CB 3.43Å; T249-S253 PolarHBondContact O-N 3.27Å; T249-S253 PolarHBondContact O-OG 3.08Å
250L71.6Confident69.6Low52 Ų5286.4 Ų86.427%0.27247%0.471SS..Hα-helixtrans-66-41.8173.6-70167.8000111H187 H246 L247 S248 S253 L254H187-L250 HydrophobicContact CB-CD1 3.82Å; H246-L250 WeakPolarHBondContact O-CG 3.34Å; H246-L250 PolarHBondContact O-N 3.4Å; H246-L250 VanDerWaalsContact O-N 3.14Å; L247-L250 HydrophobicContact CD2-CD1 4.3Å; L247-L250 PolarHBondContact O-N 2.9Å; S248-L250 VanDerWaalsContact C-N 3.3Å; S248-L250 PolarHBondContact O-N 3.46Å; L250-S253 PolarHBondContact O-N 2.75Å; L250-S253 PolarHBondContact O-OG 3.47Å; L250-L254 PolarHBondContact O-N 3.42Å
251Q64.4Low67.1Low153 Ų15389.8 Ų89.872%0.71550%0.496SS*.Hα-helixtrans-69.4-33.5179.3-168.3169.6-0.100113L247 S248L247-Q251 PolarHBondContact O-N 3.07Å; L247-Q251 VanDerWaalsContact O-N 3.13Å; S248-Q251 PolarHBondContact O-N 3.34Å
252S58.7Low64.5Low95 Ų9593.5 Ų93.566%0.66451%0.506SS*.Hα-helixtrans-77.7-26.4175.963.90000113.6S248 T249 L254S248-S252 PolarHBondContact O-N 3.28Å; S248-S252 PolarHBondContact O-OG 3.47Å; T249-S252 WeakPolarHBondContact CA-OG 3.38Å; T249-S252 PolarHBondContact O-OG 2.94Å; T249-S252 VanDerWaalsContact O-OG 3.07Å; S252-L254 VanDerWaalsContact C-N 3.26Å; S252-L254 PolarHBondContact O-N 3.31Å
253S53.2Low61.6Low87 Ų87102.2 Ų102.261%0.60854%0.537SS*.Hα-helixtrans-73.3-16.3174.473.90000114T249 L250T249-S253 WeakPolarHBondContact O-CB 3.43Å; T249-S253 PolarHBondContact O-N 3.27Å; T249-S253 PolarHBondContact O-OG 3.08Å; L250-S253 PolarHBondContact O-N 2.75Å; L250-S253 PolarHBondContact O-OG 3.47Å
254L48.1Very low58.7Low91 Ų91105.7 Ų105.748%0.47656%0.559SS.*SBendtrans-88.6119.3172-68.8162.8000108.3L250 S252 L256L250-L254 PolarHBondContact O-N 3.42Å; S252-L254 VanDerWaalsContact C-N 3.26Å; S252-L254 PolarHBondContact O-N 3.31Å; L254-L256 PolarHBondContact O-N 3.2Å
255P41.3Very low56.1Low95 Ų95110.5 Ų110.562%0.61758%0.579SS**  trans-60.5132.5175.423.9-30.7000109.3N257 S258P255-N257 PolarHBondContact O-N 2.97Å; P255-S258 PolarHBondContact O-N 2.89Å
256L43.8Very low53.5Low176 Ų176113.7 Ų113.792%0.92159%0.591SS**THydrogen-bonded Turntrans-52.4-6.8-173.3-87.4132.8000116.2L254L254-L256 PolarHBondContact O-N 3.2Å
257N41.1Very low51Low152 Ų152119 Ų11981%0.81362%0.615SS**THydrogen-bonded Turntrans-137.240.1-176.2-73.3-35.3000113.8P255 V259P255-N257 PolarHBondContact O-N 2.97Å; N257-V259 PolarHBondContact O-N 3.24Å; N257-V259 VanDerWaalsContact O-N 3.08Å
258S51Low48.5Very low58 Ų58123.1 Ų123.141%0.40664%0.642SS.*  trans-75.196.3166.755.90000110.3P255 Y260P255-S258 PolarHBondContact O-N 2.89Å; S258-Y260 PolarHBondContact O-N 3.31Å
259V40.2Very low46.1Very low125 Ų125127.3 Ų127.376%0.75866%0.659SS**  trans-67.1109.2166178.20000107.8N257 V261N257-V259 PolarHBondContact O-N 3.24Å; N257-V259 VanDerWaalsContact O-N 3.08Å; V259-V261 HydrophobicContact CG1-CG2 4.31Å; V259-V261 PolarHBondContact O-N 3.32Å
260Y50.2Low44Very low187 Ų187130.1 Ų130.173%0.73368%0.676SS**  trans-69.8100.1166.7-70-88.4000107.9S258 Y262S258-Y260 PolarHBondContact O-N 3.31Å; Y260-Y262 VanDerWaalsContact C-N 3.31Å; Y260-Y262 PolarHBondContact O-N 3.07Å
261V41.2Very low42.3Very low112 Ų112134.1 Ų134.168%0.67970%0.702SS**  trans-70.294.9168.2-178.70000107V259 R263V259-V261 HydrophobicContact CG1-CG2 4.31Å; V259-V261 PolarHBondContact O-N 3.32Å; V261-R263 HydrophobicContact CG1-CG 4.41Å; V261-R263 PolarHBondContact O-N 2.53Å
262Y35.9Very low41Very low197 Ų197132.2 Ų132.277%0.77371%0.705SS**  trans-60.8104.3162.2-177-102.9000107.1Y260 P264Y260-Y262 VanDerWaalsContact C-N 3.31Å; Y260-Y262 PolarHBondContact O-N 3.07Å; Y262-P264 HydrophobicContact CD1-CB 4.32Å; Y262-P264 HydrophobicContact CD1-CG 3.96Å; Y262-P264 HydrophobicContact CE1-CB 3.68Å; Y262-P264 HydrophobicContact CE1-CG 3.76Å; Y262-P264 WeakPolarHBondContact O-CD 3.29Å
263R30.2Very low40.4Very low219 Ų219135.5 Ų135.583%0.82672%0.715SS**  trans-90.4101.5163.2-101.3-176.9-177.3142.31106.6V261 L265V261-R263 HydrophobicContact CG1-CG 4.41Å; V261-R263 PolarHBondContact O-N 2.53Å; R263-L265 PolarHBondContact O-N 3.18Å
264P33.1Very low40.1Very low73 Ų73141 Ų14147%0.47473%0.727SS.*  trans-60.7127.8164.111.9-5.3000106.8Y262 K266Y262-P264 HydrophobicContact CD1-CB 4.32Å; Y262-P264 HydrophobicContact CD1-CG 3.96Å; Y262-P264 HydrophobicContact CE1-CB 3.68Å; Y262-P264 HydrophobicContact CE1-CG 3.76Å; Y262-P264 WeakPolarHBondContact O-CD 3.29Å; P264-K266 VanDerWaalsContact C-N 3.3Å; P264-K266 PolarHBondContact O-N 2.99Å
265L37.1Very low39.7Very low144 Ų144140.2 Ų140.275%0.75474%0.742SS**  trans-5799.4165.2-88.6138.3000107.2R263 H267R263-L265 PolarHBondContact O-N 3.18Å; L265-H267 PolarHBondContact O-N 3Å
266K35.3Very low39.4Very low186 Ų186141.5 Ų141.581%0.80975%0.748SS**  trans-7190.6164.9-71-171.9179.2-175.80106.3P264 T268P264-K266 VanDerWaalsContact C-N 3.3Å; P264-K266 PolarHBondContact O-N 2.99Å; K266-T268 VanDerWaalsContact C-N 3.31Å; K266-T268 PolarHBondContact O-N 3.47Å
267H36.8Very low38.8Very low149 Ų149142.5 Ų142.569%0.6975%0.745SS**  trans-69.696.3160.7-70.1-76.6000106.9L265 L269L265-H267 PolarHBondContact O-N 3Å; H267-L269 VanDerWaalsContact C-N 3.28Å; H267-L269 PolarHBondContact O-N 3.18Å
268T35.5Very low38.4Very low117 Ų117145.6 Ų145.672%0.71875%0.745SS**  trans-7194164.9-45.90000106.5K266 V270K266-T268 VanDerWaalsContact C-N 3.31Å; K266-T268 PolarHBondContact O-N 3.47Å; T268-V270 VanDerWaalsContact C-N 3.34Å; T268-V270 HydrophobicContact CG2-CG2 3.92Å; T268-V270 PolarHBondContact O-N 3.19Å
269L36.4Very low37.4Very low150 Ų150151.3 Ų151.379%0.78577%0.77SS**  trans-67.698.1166.1-71.7172000107.2H267H267-L269 VanDerWaalsContact C-N 3.28Å; H267-L269 PolarHBondContact O-N 3.18Å
270V39.5Very low37Very low115 Ų115153.2 Ų153.270%0.69777%0.771SS**  trans-89.4111.9163.6-179.20000106.4T268 C272T268-V270 VanDerWaalsContact C-N 3.34Å; T268-V270 HydrophobicContact CG2-CG2 3.92Å; T268-V270 PolarHBondContact O-N 3.19Å; V270-C272 PolarHBondContact O-N 2.87Å
271T35.6Very low36.1Very low135 Ų135150.1 Ų150.183%0.82877%0.773SS**  trans-65.9125.4167.4470000108.6
272C36.8Very low35.6Very low114 Ų114150 Ų15077%0.7778%0.777SS**  trans-125127.8167.6-146.30000108.3V270 K274V270-C272 PolarHBondContact O-N 2.87Å; C272-K274 PolarHBondContact O-N 3.24Å
273D45.6Very low35.4Very low163 Ų163146.1 Ų146.187%0.87278%0.78SS**SBendtrans-59.2128.7176.7-86.3-39.8000109.8
274K46.7Very low35.6Very low202 Ų202141.9 Ų141.988%0.87878%0.778SS**SBendtrans89.457.6-176-51.8179.2179.81790116.3C272 V276C272-K274 PolarHBondContact O-N 3.24Å; K274-V276 PolarHBondContact O-N 2.72Å
275G41.3Very low35.6Very low76 Ų76144.1 Ų144.178%0.78479%0.792SS**  58.724.9122.300000121.2
276V33.9Very low35.4Very low122 Ų122140.2 Ų140.274%0.73979%0.787SS**  trans-139.4117.5170.2-1760000110.9K274K274-V276 PolarHBondContact O-N 2.72Å
277F32.2Very low35.3Very low197 Ų197137.3 Ų137.386%0.86479%0.787SS**  trans-85.1118.4173.1-67.9-82.9000110.2
278R32.4Very low34.9Very low216 Ų216137.7 Ų137.782%0.81579%0.794SS**  trans-114.2132.6160.8-76.6-163.8-158-1575.7110
279L29.9Very low34.6Very low178 Ų178142 Ų14293%0.93280%0.803SS**  trans-83.1120.3169.7-75.1154.3000108.9
280H32.1Very low34.3Very low166 Ų166140.8 Ų140.877%0.76981%0.807SS**  trans-113.3133.4164.5-99.2-70.7000109.6S282H280-S282 PolarHBondContact O-N 3.2Å
281P30.3Very low33.8Very low121 Ų121144.7 Ų144.779%0.78682%0.815SS**  trans-73.7123.5169.18.33.4000109.5S283P281-S283 PolarHBondContact O-N 3.33Å
282S30.8Very low33.3Very low109 Ų109145.8 Ų145.876%0.76282%0.816SS**  trans-75.4115.7174.163.20000110.6H280H280-S282 PolarHBondContact O-N 3.2Å
283S32.6Very low32.9Very low117 Ų117147.1 Ų147.182%0.81882%0.815SS**PPolyproline II helixtrans-66.8129.916250.50000110.2P281P281-S283 PolarHBondContact O-N 3.33Å
284V34.1Very low32Very low130 Ų130145.3 Ų145.379%0.78882%0.815SS**PPolyproline II helixtrans-99.7136.1169.7-176.60000109.1
285P33.4Very low31.1Very low119 Ų119145.3 Ų145.377%0.77382%0.815SS**PPolyproline II helixtrans-77.9146.2-179.6-2.320.6000112
286G31.3Very low30.9Very low63 Ų63146.9 Ų146.965%0.64981%0.812SS**PPolyproline II helixtrans-78.9161.5168.400000112.2
287P34.7Very low30.4Very low124 Ų124150.3 Ų150.381%0.80582%0.819SS**PPolyproline II helixtrans-82131.3-177.331.7-31.1000112.2
288D27.4Very low30.3Very low157 Ų157146.7 Ų146.784%0.8481%0.813SS**PPolyproline II helixtrans-76136.7169.5-80.4-42.5000111.6
289F29.3Very low30.1Very low209 Ų209142.4 Ų142.492%0.91781%0.814SS**  trans-137127.3152-84.4-77000109.7
290S30Very low30Very low123 Ų123139.8 Ų139.886%0.8680%0.804SS**  trans-84147.5-172.245.90000114.4
291K29.4Very low29.7Very low198 Ų198143.2 Ų143.286%0.86181%0.811SS**  trans-37146.3176.7-69.5167.9171.8174.10118.1
292D25.8Very low29.5Very low158 Ų158141.1 Ų141.185%0.84581%0.811SS**  -153.9154.7119.1-127.9-21.8000114.8
293N27.7Very low29.4Very low141 Ų141142.7 Ų142.775%0.75482%0.816SS**  trans-79.7142.8-163.1-73.4-51.3000116.3
294S27.1Very low28.9Very low126 Ų126141 Ų14188%0.88181%0.809SS**  161.7135.9122.845.90000112.8
295K27.1Very low28.6Very low202 Ų202139.5 Ų139.588%0.87881%0.81SS**  trans-90.4176.2176.6-98.9-176.8179.71800110.6
296P37.7Very low28.2Very low109 Ų109142.2 Ų142.271%0.70881%0.811SS**  cis-131.7160.2-27.634.5-18.2000112.5
297E23.5Very low27.8Very low193 Ų193150.5 Ų150.590%0.90282%0.824SS**  trans-173.3152.6136.7-105.5172.8-173.400112.8
298V29.8Very low27.5Very low121 Ų121153.4 Ų153.473%0.73383%0.826SS**  trans-41.9147.8-166.3-173.30000117.2V300V298-V300 HydrophobicContact CG1-CG2 4.33Å
299P29.1Very low27.4Very low127 Ų127154 Ų15483%0.82582%0.824SS**  -138.2156.7125.328-9000116
300V26.9Very low27.2Very low122 Ų122151.8 Ų151.874%0.73982%0.821SS**  trans-86.8145-171.6162.10000112.4V298V298-V300 HydrophobicContact CG1-CG2 4.33Å
301R25.5Very low27.2Very low238 Ų238151.4 Ų151.490%0.89882%0.815SS**  trans45.1117.7157.5-82.4177.8170.4170.9-2.6119.8
302G26.3Very low27Very low77 Ų77146.9 Ų146.979%0.79482%0.815SS**  trans-160.199.5148.100000109.4
303T27.9Very low27Very low143 Ų143144.3 Ų144.388%0.87782%0.815SS**  trans-64.1124.8-173.534.60000113.6
304A24.1Very low26.9Very low81 Ų81143.4 Ų143.467%0.66982%0.82SS**  trans-102.1135.6155.400000109
305A25.8Very low26.8Very low98 Ų98141.2 Ų141.281%0.8182%0.817SS**  trans-137.899.2162.600000105.4
306F25.9Very low26.6Very low177 Ų177137.6 Ų137.678%0.77682%0.816SS**  47.4102.776.9-73.2-72.8000113.4H308F306-H308 PolarHBondContact O-N 3.4Å
307Y23.4Very low26Very low236 Ų236141.9 Ų141.993%0.92582%0.823SS**PPolyproline II helixtrans-61.1122.8167.4-73.2-91.8000109.9
308H28.2Very low26.2Very low185 Ų185142 Ų14286%0.85682%0.824SS**PPolyproline II helixtrans-91.3128.3169.1-82.9-75.6000110.6F306F306-H308 PolarHBondContact O-N 3.4Å
309H25.5Very low25.9Very low171 Ų171142.4 Ų142.479%0.79283%0.827SS**PPolyproline II helixtrans-79.8170158.9-85.1-71.8000111.4
310L25.3Very low25.8Very low162 Ų162142.6 Ų142.685%0.84883%0.831SS**  trans105.8155.7162.8-68.8127.7000116
311P29.8Very low25.7Very low115 Ų115141.2 Ų141.275%0.74783%0.833SS**  -138.5-174.1-52.237.8-19.4000113
312A24.7Very low25.8Very low103 Ų103139.1 Ų139.185%0.85183%0.83SS**  trans-64.8151.8175.900000114.6
313A26.4Very low25.8Very low104 Ų104146.8 Ų146.886%0.8684%0.835SS**  trans-141.7142.9163.700000111.7
314S25.7Very low25.8Very low121 Ų121149 Ų14985%0.84683%0.833SS**  trans-85.1141.8-173.649.10000114.5
315G23.3Very low26Very low80 Ų80151.6 Ų151.683%0.82584%0.84SS**  trans77.8114.7133.100000120.3
316C23.2Very low26.6Very low127 Ų127155.4 Ų155.486%0.85884%0.841SS**  trans-159.7130.9133.4-160.10000110.9
317K25.1Very low26.8Very low198 Ų198155.3 Ų155.386%0.86184%0.843SS**  trans-87.5142.3173.2-69.6177176.4178.20109.2
318Q27.3Very low27.5Very low196 Ų196153 Ų15392%0.91684%0.843SS**  trans-156.6142.8144.5-108.817027.700111.5
319T24.3Very low27.8Very low129 Ų129151.5 Ų151.579%0.79184%0.836SS**  trans-89.5147-166.547.60000113
320S27.2Very low28.8Very low131 Ų131148.4 Ų148.492%0.91683%0.829SS**  trans-166.4136.7140.2-87.50000112.2
321A25.6Very low29.3Very low94 Ų94146 Ų14678%0.77782%0.817SS**  trans-96.1143.5-17600000112.2
322K26.3Very low29.7Very low193 Ų193147.3 Ų147.384%0.83982%0.818SS**  171.4136.4121.3-96.6170.9-179.2173.10114.2
323R26.7Very low30.7Very low238 Ų238148.3 Ų148.390%0.89880%0.803SS**  trans85.6109.6150-76.3-178.7178.1160.3-1.1120.2
324K28.1Very low31.5Very low190 Ų190146.4 Ų146.483%0.82677%0.774SS**  trans-43.7131.2160.4-80-178.7163.6-165.60113.7
325V28.6Very low32.3Very low135 Ų135144.1 Ų144.182%0.81875%0.753SS**  trans-132.8125.5136.3173.30000104.5E327V325-E327 PolarHBondContact O-N 3.14Å
326E37.4Very low33.1Very low179 Ų179142.4 Ų142.484%0.83674%0.735SS**  trans-67.7100.2179-80.9172.6169.800109.4
327E31.1Very low33.9Very low174 Ų174137.1 Ų137.181%0.81370%0.698SS**  trans-106.2123.8162.4-114179.717000106.9V325 E329V325-E327 PolarHBondContact O-N 3.14Å; E327-E329 PolarHBondContact O-N 3.03Å; E327-E329 VanDerWaalsContact O-N 3.14Å
328M37Very low34.6Very low189 Ų189134.9 Ų134.993%0.93169%0.688SS**  trans-62.3112.6179.1-166.5157.561.400109.1
329E35.3Very low35.4Very low153 Ų153134.8 Ų134.872%0.71568%0.679SS**  trans-65.4139.4-168-71.5-175.5161.700113.1E327 D331E327-E329 PolarHBondContact O-N 3.03Å; E327-E329 VanDerWaalsContact O-N 3.14Å; E329-D331 PolarHBondContact O-N 3.3Å
330V47.1Very low36.4Very low106 Ų106134 Ų13464%0.64267%0.67SS**THydrogen-bonded Turntrans-75.4-2.7-179.6170.60000112.6Y334V330-Y334 HydrophobicContact CG1-CD2 4.48Å; V330-Y334 HydrophobicContact CG1-CE2 4.22Å
331D35.6Very low37.3Very low111 Ų111134 Ų13459%0.59465%0.65SS**Hα-helixtrans-78.9-26.7-171.9-83.8-17.5000114.1E329 F333 Y334 D335E329-D331 PolarHBondContact O-N 3.3Å; D331-F333 PolarHBondContact O-N 3.31Å; D331-Y334 PolarHBondContact O-N 3.34Å; D331-D335 PolarHBondContact O-N 3.19Å
332D37.8Very low37.9Very low143 Ų143136.1 Ų136.177%0.76565%0.649SS**Hα-helixtrans-65.6-24177.1-75.8-23.2000113.1
333F45.2Very low38.7Very low123 Ų123135.2 Ų135.254%0.53965%0.647SS.*Hα-helixtrans-76.8-33.4-179-176.7-102.4000113D331 I337D331-F333 PolarHBondContact O-N 3.31Å; F333-I337 HydrophobicContact CE1-CD1 4.48Å
334Y43.2Very low39.3Very low65 Ų65131.2 Ų131.226%0.25564%0.644SS.*Hα-helixtrans-89.2-21.3-179-74.4-77.4000113Y86 V330 D331 G336 I337 K338Y86-Y334 HydrophobicContact CE2-CD1 4.34Å; Y86-Y334 AromaticContact CE2-CE1 3.93Å; Y86-Y334 HydrophobicContact CE2-CE1 3.93Å; V330-Y334 HydrophobicContact CG1-CD2 4.48Å; V330-Y334 HydrophobicContact CG1-CE2 4.22Å; D331-Y334 PolarHBondContact O-N 3.34Å; Y334-G336 VanDerWaalsContact C-N 3.32Å; Y334-I337 HydrophobicContact CD1-CD1 4.11Å; Y334-I337 HydrophobicContact CE1-CD1 4.48Å; Y334-I337 PolarHBondContact O-N 3.09Å; Y334-I337 VanDerWaalsContact O-N 3.11Å; Y334-K338 PolarHBondContact O-N 3.1Å; Y334-K338 VanDerWaalsContact O-N 3.1Å
335D42.6Very low39.5Very low73 Ų73129.5 Ų129.539%0.3964%0.644SS.*Hα-helixtrans-66.7-33.5172.6-96-1.9000112.7D331 I337 K338 R339D331-D335 PolarHBondContact O-N 3.19Å; D335-I337 PolarHBondContact O-N 3.11Å; D335-K338 PolarHBondContact O-N 2.78Å; D335-R339 PolarHBondContact O-N 2.95Å; D335-R339 VanDerWaalsContact O-N 3.09Å
336G41.3Very low39.6Very low43 Ų43130.1 Ų130.144%0.44365%0.648SS.*Hα-helixtrans-62-28.7170.400000113.3Y334 L340Y334-G336 VanDerWaalsContact C-N 3.32Å; G336-L340 WeakPolarHBondContact O-CD1 3.26Å; G336-L340 WeakPolarHBondContact O-CG 3.24Å
337I39.8Very low39.3Very low17 Ų17126.9 Ų126.99%0.08765%0.645CS.*Hα-helixtrans-83-29.8176.9-58.5172000110.9Y86 F333 Y334 D335 Y341Y86-I337 HydrophobicContact CE1-CG2 4.12Å; Y86-I337 HydrophobicContact CE2-CD1 4.37Å; Y86-I337 VanDerWaalsContact OH-CG2 3.29Å; Y86-I337 WeakPolarHBondContact OH-CG2 3.31Å; F333-I337 HydrophobicContact CE1-CD1 4.48Å; Y334-I337 HydrophobicContact CD1-CD1 4.11Å; Y334-I337 HydrophobicContact CE1-CD1 4.48Å; Y334-I337 PolarHBondContact O-N 3.09Å; Y334-I337 VanDerWaalsContact O-N 3.11Å; D335-I337 PolarHBondContact O-N 3.11Å; I337-Y341 HydrophobicContact CG2-CE2 4.07Å; I337-Y341 VanDerWaalsContact O-CD2 3.23Å; I337-Y341 WeakPolarHBondContact O-CD2 3.23Å; I337-Y341 WeakPolarHBondContact O-CE2 3.48Å
338K39.6Very low39.2Very low151 Ų151127.4 Ų127.466%0.65765%0.647SS**Hα-helixtrans-76.1-34.1-180-160.3175-176.9-177.30113.1Y334 D335 L340Y334-K338 PolarHBondContact O-N 3.1Å; Y334-K338 VanDerWaalsContact O-N 3.1Å; D335-K338 PolarHBondContact O-N 2.78Å; K338-L340 PolarHBondContact O-N 3.46Å
339R44.5Very low38.7Very low194 Ų194125.4 Ų125.473%0.73264%0.64SS**THydrogen-bonded Turntrans-68.5-11.8176.8-71.6-177.7-174.4155.47114.2D335D335-R339 PolarHBondContact O-N 2.95Å; D335-R339 VanDerWaalsContact O-N 3.09Å
340L45.1Very low38.4Very low113 Ų113124.7 Ų124.759%0.59265%0.646SS**THydrogen-bonded Turntrans-92.3-3-177.8-68.4169.3000114.7G336 K338G336-L340 WeakPolarHBondContact O-CD1 3.26Å; G336-L340 WeakPolarHBondContact O-CG 3.24Å; K338-L340 PolarHBondContact O-N 3.46Å
341Y45Very low37.3Very low130 Ų130123.2 Ų123.251%0.5165%0.653SS.*SBendtrans-111.54.3-179.8-69.2-79.1000114.4E126 I337E126-Y341 VanDerWaalsContact OE1-CE1 3.31Å; E126-Y341 WeakPolarHBondContact OE1-CE1 3.4Å; E126-Y341 VanDerWaalsContact OE1-CZ 3.28Å; E126-Y341 PolarHBondContact OE1-OH 3.48Å; I337-Y341 HydrophobicContact CG2-CE2 4.07Å; I337-Y341 VanDerWaalsContact O-CD2 3.23Å; I337-Y341 WeakPolarHBondContact O-CD2 3.23Å; I337-Y341 WeakPolarHBondContact O-CE2 3.48Å
342N39.8Very low36.9Very low138 Ų138123.1 Ų123.174%0.73866%0.661SS**SBendtrans-113.211.6-174.1-88-0.9000115.1
343E41.5Very low36.3Very low174 Ų174122.3 Ų122.381%0.81366%0.66SS**SBendtrans-105.731.5-178-74.6-105.9133.200113.4
344D39.9Very low35.4Very low154 Ų154122.6 Ų122.682%0.82468%0.677SS**SBendtrans-150.474.1167.1-79.6-46000110
345N33.3Very low34.6Very low154 Ų154122.7 Ų122.782%0.82470%0.697SS**  trans178.184.4151.6-92.1-27.2000110.1
346V29.8Very low33.9Very low149 Ų149126.1 Ų126.190%0.90372%0.721SS**  trans-129.486.9151.3-1750000107.3
347S30.6Very low33.1Very low111 Ų111131.7 Ų131.778%0.77674%0.741SS**  trans-86.6133.8159.1-70.10000109.2
348E29.6Very low32.7Very low184 Ų184138.7 Ų138.786%0.8678%0.777SS**  trans-27.4133.1169.2-59170.315000116.3
349N26.3Very low32.2Very low147 Ų147135.8 Ų135.879%0.78678%0.776SS**  -169.4117.8113.1-123.9-1.3000114.2
350V28Very low31.4Very low138 Ų138138 Ų13884%0.83678%0.784SS**  trans42.1124.5137.4-175.40000121.5
351G25.8Very low30.6Very low76 Ų76141.3 Ų141.378%0.78480%0.797SS**  trans-171.783.3159.300000113.6
352S25.4Very low29.9Very low109 Ų109144.4 Ų144.476%0.76282%0.816SS**  trans-25.8138.9168.3-168.80000118.3
353V26.1Very low29.3Very low125 Ų125141 Ų14176%0.75881%0.814SS**  172.8126109.4160.10000111.8
354C25.6Very low28.8Very low130 Ų130141.8 Ų141.888%0.87882%0.817SS**  trans36.9130.8153-71.90000123.8
355G26.6Very low28.4Very low67 Ų67138.7 Ų138.769%0.69181%0.812SS**  149.884.4127.400000118.6
356T28.6Very low28.8Very low144 Ų144136.5 Ų136.588%0.88381%0.809SS**  trans62.5117.2141.918.10000121.3
357D25.4Very low29.6Very low161 Ų161135.4 Ų135.486%0.86181%0.805SS**  trans-56.1141.9165.6-71.2-56.1000114.7
358L30.8Very low29.7Very low164 Ų164135.9 Ų135.986%0.85981%0.807SS**  trans-148.597.5156.4-104146.5000110.7
359S28.5Very low30.3Very low90 Ų90132.9 Ų132.963%0.62980%0.804SS**  trans40.3130.9137.161.80000123.5
360R27.2Very low30.8Very low240 Ų240132 Ų13291%0.90681%0.806SS**  trans62.9133.2137.7-70.5174.6128.4164-3.6116.3
361Q29.3Very low31.1Very low183 Ų183133.7 Ų133.786%0.85581%0.809SS**  178.3153.264.1-164.1162.17.900110
362E29.9Very low31.9Very low195 Ų195139 Ų13991%0.91181%0.814SS**  trans-63.4157.6177.3-62.9162.7129.500114.2
363G28.1Very low32.7Very low67 Ų67139.6 Ų139.669%0.69182%0.815SS**  trans163.991.1160.500000118
364H29.4Very low33.1Very low190 Ų190140.1 Ų140.188%0.8882%0.818SS**  trans54.3119.9136.6-73.1-82.5000123.8
365A31.8Very low33.7Very low88 Ų88139.6 Ų139.673%0.72782%0.816SS**  81.7114.7120.900000120.7
366S41.1Very low34.2Very low109 Ų109143 Ų14376%0.76282%0.823SS**  trans-57.5166.6151.643.90000113.4
367P47.1Very low34.7Very low126 Ų126148.6 Ų148.682%0.81884%0.842SS**  -143.2123.9124.232.6-15.6000113.7
368C33.1Very low35.2Very low121 Ų121148 Ų14882%0.81884%0.842SS**PPolyproline II helixtrans-99138.1154.4-71.70000108.3
369P41.6Very low35.4Very low121 Ų121147.2 Ų147.279%0.78684%0.841SS**PPolyproline II helixtrans-83.9147.4175.232-30.9000112
370P37.4Very low35.8Very low127 Ų127150.3 Ų150.383%0.82585%0.852SS**PPolyproline II helixtrans-88141.517933.3-31.3000112.7
371L34.8Very low36.3Very low175 Ų175145.1 Ų145.192%0.91685%0.849SS**PPolyproline II helixtrans-90.4127.9172.3-67.7165.8000110
372Q42Very low36.8Very low187 Ų187142.7 Ų142.787%0.87485%0.849SS**PPolyproline II helixtrans-86.4145.6169.2-75.4-175.1-50.200111.2
373P43.4Very low37.2Very low121 Ų121139.2 Ų139.279%0.78685%0.845SS**PPolyproline II helixtrans-86.3142.1171.431.9-30.2000112.8
374V33.4Very low37.9Very low137 Ų137144.4 Ų144.483%0.8386%0.856SS**PPolyproline II helixtrans-70.6124.8172.8175.40000109.7
375S37.8Very low38.6Very low119 Ų119140.8 Ų140.883%0.83285%0.854SS**PPolyproline II helixtrans-90.1132.1165.3-80.60000110.4
376V38.4Very low39.1Very low138 Ų138145.3 Ų145.384%0.83686%0.864SS**PPolyproline II helixtrans-82.6125.7169.7174.70000108.5
377M39.3Very low38.9Very low262 Ų262148.5 Ų148.5100%1.29187%0.874SS**  trans-161.70137.3-112.3-179.3-178.800110.2

Retrieved 377 of 377 residues in 190.4 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).