A0A3Q0KFX5_SCHMA Loading...

Palmitoyltransferase

AlphaFold DB , UniProt , Accession A0A3Q0KFX5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 414 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M54.3Low72.8Confident165 Ų165102 Ų10281%0.81348%0.482SS*.  0-10.80-74.4-57.8-173.200116.7E234M1-E234 HydrophobicContact CE-CG 3.97Å; M1-E234 WeakPolarHBondContact CE-OE1 2.79Å; M1-E234 WeakPolarHBondContact CG-OE1 3.29Å
2D68.3Low73.3Confident95 Ų9599.6 Ų99.651%0.50848%0.484SS..Hα-helixtrans-83.8-10.5177.1-78-53.8000116R5D2-R5 WeakPolarHBondContact O-CB 3.34Å; D2-R5 IonicContact OD1-CZ 2.77Å; D2-R5 IonicContact OD1-NH1 3.66Å; D2-R5 PolarHBondContact OD1-NH1 3.46Å; D2-R5 IonicContact OD1-NH2 3.38Å
3Y62Low73.5Confident140 Ų140102.6 Ų102.655%0.54949%0.494SS..Hα-helixtrans-91.4-33.5-170.1-62.2-80.5000114.2R5 N6 I7 M252Y3-R5 PolarHBondContact O-N 3.23Å; Y3-N6 PolarHBondContact O-N 3.4Å; Y3-I7 PolarHBondContact O-N 3.13Å; Y3-M252 HydrophobicContact CD1-CE 3.94Å; Y3-M252 HydrophobicContact CD1-SD 3.99Å; Y3-M252 HydrophobicContact CE1-CE 3.84Å; Y3-M252 HydrophobicContact CE1-SD 4.44Å; Y3-M252 HydrophobicContact CG-CE 4.47Å; Y3-M252 HydrophobicContact CG-SD 4.47Å
4L75.8Confident73.6Confident83 Ų8398.2 Ų98.244%0.43548%0.479SS..Hα-helixtrans-56.8-38.3168.7-178.264.1000109.8N6 I7 I8L4-N6 PolarHBondContact O-N 3.4Å; L4-I7 PolarHBondContact O-N 3.09Å; L4-I8 HydrophobicContact CD1-CD1 3.92Å; L4-I8 HydrophobicContact CD1-CG1 4.08Å; L4-I8 HydrophobicContact CD2-CD1 4.23Å; L4-I8 HydrophobicContact CG-CD1 3.63Å; L4-I8 HydrophobicContact CG-CG1 4.21Å; L4-I8 VanDerWaalsContact O-CB 3.22Å; L4-I8 WeakPolarHBondContact O-CB 3.27Å; L4-I8 WeakPolarHBondContact O-CG1 3.39Å; L4-I8 PolarHBondContact O-N 2.96Å
5R78.9Confident73.7Confident135 Ų13593.9 Ų93.951%0.50947%0.47SS..Hα-helixtrans-58.3-46.4172-168.7-177.773.1-126.4-1.3111.7D2 Y3 L9D2-R5 WeakPolarHBondContact O-CB 3.34Å; D2-R5 IonicContact OD1-CZ 2.77Å; D2-R5 IonicContact OD1-NH1 3.66Å; D2-R5 PolarHBondContact OD1-NH1 3.46Å; D2-R5 IonicContact OD1-NH2 3.38Å; Y3-R5 PolarHBondContact O-N 3.23Å; R5-L9 HydrophobicContact CG-CD1 3.99Å; R5-L9 HydrophobicContact CG-CG 4.42Å; R5-L9 VanDerWaalsContact O-CB 3.26Å; R5-L9 WeakPolarHBondContact O-CB 3.44Å; R5-L9 WeakPolarHBondContact O-CG 3.3Å; R5-L9 PolarHBondContact O-N 3.37Å
6N75.4Confident73.9Confident76 Ų7690.1 Ų90.141%0.40646%0.463SS..Hα-helixtrans-67.7-40.2-180-68.8-29000112.9Y3 L4 L9 Y10Y3-N6 PolarHBondContact O-N 3.4Å; L4-N6 PolarHBondContact O-N 3.4Å; N6-L9 PolarHBondContact O-N 3.44Å; N6-Y10 WeakPolarHBondContact O-CB 3.43Å; N6-Y10 PolarHBondContact O-N 3.48Å
7I74Confident73.9Confident27 Ų2792.4 Ų92.414%0.13847%0.469CS..Hα-helixtrans-67.8-44.8175.7-68.6173.1000110.4Y3 L4 L9 Y10 L11 Q248 F251Y3-I7 PolarHBondContact O-N 3.13Å; L4-I7 PolarHBondContact O-N 3.09Å; I7-L9 VanDerWaalsContact C-N 3.3Å; I7-L9 PolarHBondContact O-N 3.03Å; I7-Y10 PolarHBondContact O-N 3.18Å; I7-L11 HydrophobicContact CG2-CD1 3.66Å; I7-L11 HydrophobicContact CG2-CG 4.1Å; I7-L11 VanDerWaalsContact O-CB 3.3Å; I7-L11 WeakPolarHBondContact O-CB 3.44Å; I7-L11 VanDerWaalsContact O-CG 3.31Å; I7-L11 WeakPolarHBondContact O-CG 3.46Å; I7-L11 PolarHBondContact O-N 3.47Å; I7-Q248 HydrophobicContact CD1-CB 4.39Å; I7-Q248 HydrophobicContact CD1-CG 3.83Å; I7-F251 HydrophobicContact CD1-CD1 4.08Å; I7-F251 HydrophobicContact CG1-CD1 4.16Å; I7-F251 HydrophobicContact CG1-CE1 4.18Å
8I79.1Confident73.9Confident87 Ų8793.4 Ų93.445%0.44648%0.475SS..Hα-helixtrans-59.7-43.2173.5-70.5172.3000109.7L4 S12L4-I8 HydrophobicContact CD1-CD1 3.92Å; L4-I8 HydrophobicContact CD1-CG1 4.08Å; L4-I8 HydrophobicContact CD2-CD1 4.23Å; L4-I8 HydrophobicContact CG-CD1 3.63Å; L4-I8 HydrophobicContact CG-CG1 4.21Å; L4-I8 VanDerWaalsContact O-CB 3.22Å; L4-I8 WeakPolarHBondContact O-CB 3.27Å; L4-I8 WeakPolarHBondContact O-CG1 3.39Å; L4-I8 PolarHBondContact O-N 2.96Å; I8-S12 WeakPolarHBondContact O-CA 3.45Å; I8-S12 WeakPolarHBondContact O-CB 3.36Å; I8-S12 PolarHBondContact O-N 3.09Å; I8-S12 PolarHBondContact O-OG 2.72Å
9L77.9Confident73.9Confident100 Ų10094.1 Ų94.152%0.52448%0.479SS..Hα-helixtrans-62.5-44.7176.7-77.7168.4000111.4R5 N6 I7 F13R5-L9 HydrophobicContact CG-CD1 3.99Å; R5-L9 HydrophobicContact CG-CG 4.42Å; R5-L9 VanDerWaalsContact O-CB 3.26Å; R5-L9 WeakPolarHBondContact O-CB 3.44Å; R5-L9 WeakPolarHBondContact O-CG 3.3Å; R5-L9 PolarHBondContact O-N 3.37Å; N6-L9 PolarHBondContact O-N 3.44Å; I7-L9 VanDerWaalsContact C-N 3.3Å; I7-L9 PolarHBondContact O-N 3.03Å; L9-F13 WeakPolarHBondContact O-CB 3.38Å; L9-F13 PolarHBondContact O-N 3.26Å
10Y75.9Confident73.9Confident111 Ų11192.8 Ų92.844%0.43547%0.47SS..Hα-helixtrans-66.9-46.3179.2-179.6-95.8000112.7N6 I7 F13 S14N6-Y10 WeakPolarHBondContact O-CB 3.43Å; N6-Y10 PolarHBondContact O-N 3.48Å; I7-Y10 PolarHBondContact O-N 3.18Å; Y10-F13 PolarHBondContact O-N 3.39Å; Y10-S14 WeakPolarHBondContact O-CB 3.36Å; Y10-S14 PolarHBondContact O-N 3.11Å; Y10-S14 PolarHBondContact O-OG 2.86Å
11L78.7Confident73.8Confident103 Ų10395.1 Ų95.154%0.53947%0.474SS..Hα-helixtrans-67.8-37.7176.3-69.2177.2000111.4I7 G15I7-L11 HydrophobicContact CG2-CD1 3.66Å; I7-L11 HydrophobicContact CG2-CG 4.1Å; I7-L11 VanDerWaalsContact O-CB 3.3Å; I7-L11 WeakPolarHBondContact O-CB 3.44Å; I7-L11 VanDerWaalsContact O-CG 3.31Å; I7-L11 WeakPolarHBondContact O-CG 3.46Å; I7-L11 PolarHBondContact O-N 3.47Å; L11-G15 VanDerWaalsContact O-CA 3.27Å; L11-G15 WeakPolarHBondContact O-CA 3.33Å; L11-G15 PolarHBondContact O-N 3.41Å
12S79.1Confident74.8Confident73 Ų7391.8 Ų91.851%0.5147%0.466SS..Hα-helixtrans-67.9-37.3174.2-620000111.5I8 G16I8-S12 WeakPolarHBondContact O-CA 3.45Å; I8-S12 WeakPolarHBondContact O-CB 3.36Å; I8-S12 PolarHBondContact O-N 3.09Å; I8-S12 PolarHBondContact O-OG 2.72Å; S12-G16 VanDerWaalsContact O-CA 3.26Å; S12-G16 WeakPolarHBondContact O-CA 3.35Å; S12-G16 PolarHBondContact O-N 2.77Å
13F76.3Confident75.4Confident139 Ų13989.9 Ų89.961%0.6146%0.456SS*.Hα-helixtrans-66.2-54.6175-171.4-102.4000110.4L9 Y10 G16 F17L9-F13 WeakPolarHBondContact O-CB 3.38Å; L9-F13 PolarHBondContact O-N 3.26Å; Y10-F13 PolarHBondContact O-N 3.39Å; F13-G16 PolarHBondContact O-N 3.44Å; F13-F17 HydrophobicContact CD1-CD2 4.31Å; F13-F17 AromaticContact CD1-CE2 3.99Å; F13-F17 HydrophobicContact CD1-CE2 3.99Å; F13-F17 HydrophobicContact CD2-CE2 4.1Å; F13-F17 HydrophobicContact CE1-CD2 4.26Å; F13-F17 AromaticContact CE1-CE2 3.6Å; F13-F17 HydrophobicContact CE1-CE2 3.6Å; F13-F17 AromaticContact CE2-CE2 3.72Å; F13-F17 HydrophobicContact CE2-CE2 3.72Å; F13-F17 HydrophobicContact CE2-CZ 4.35Å; F13-F17 HydrophobicContact CG-CE2 4.24Å; F13-F17 AromaticContact CZ-CE2 3.47Å; F13-F17 HydrophobicContact CZ-CE2 3.47Å; F13-F17 VanDerWaalsContact CZ-CE2 3.47Å; F13-F17 HydrophobicContact CZ-CZ 4.11Å; F13-F17 WeakPolarHBondContact O-CD2 3.06Å; F13-F17 PolarHBondContact O-N 2.98Å
14S74.3Confident76Confident41 Ų4188.4 Ų88.429%0.28745%0.449SS..Hα-helixtrans-64.4-46-179.1-54.60000112.4Y10 G16 F17 L18Y10-S14 WeakPolarHBondContact O-CB 3.36Å; Y10-S14 PolarHBondContact O-N 3.11Å; Y10-S14 PolarHBondContact O-OG 2.86Å; S14-G16 VanDerWaalsContact C-N 3.35Å; S14-F17 PolarHBondContact O-N 2.98Å; S14-L18 PolarHBondContact O-N 3.17Å
15G76.2Confident76Confident33 Ų3391.3 Ų91.334%0.3446%0.46SS..Hα-helixtrans-67.1-33.3175.700000112.6L11 L18 L19L11-G15 VanDerWaalsContact O-CA 3.27Å; L11-G15 WeakPolarHBondContact O-CA 3.33Å; L11-G15 PolarHBondContact O-N 3.41Å; G15-L18 PolarHBondContact O-N 3.47Å; G15-L19 VanDerWaalsContact O-CB 3.23Å; G15-L19 WeakPolarHBondContact O-CB 3.4Å; G15-L19 PolarHBondContact O-N 3.25Å
16G76.6Confident76.2Confident34 Ų3487.5 Ų87.535%0.35145%0.452SS..Hα-helixtrans-62.9-42174.900000112.7S12 F13 S14 F20S12-G16 VanDerWaalsContact O-CA 3.26Å; S12-G16 WeakPolarHBondContact O-CA 3.35Å; S12-G16 PolarHBondContact O-N 2.77Å; F13-G16 PolarHBondContact O-N 3.44Å; S14-G16 VanDerWaalsContact C-N 3.35Å; G16-F20 VanDerWaalsContact O-CB 3.24Å; G16-F20 WeakPolarHBondContact O-CB 3.31Å; G16-F20 PolarHBondContact O-N 3.39Å
17F73.9Confident76.4Confident129 Ų12990.5 Ų90.557%0.56647%0.465SS*.Hα-helixtrans-65.2-42.2173.3-79-75.6000112.5F13 S14 F20 Y21F13-F17 HydrophobicContact CD1-CD2 4.31Å; F13-F17 AromaticContact CD1-CE2 3.99Å; F13-F17 HydrophobicContact CD1-CE2 3.99Å; F13-F17 HydrophobicContact CD2-CE2 4.1Å; F13-F17 HydrophobicContact CE1-CD2 4.26Å; F13-F17 AromaticContact CE1-CE2 3.6Å; F13-F17 HydrophobicContact CE1-CE2 3.6Å; F13-F17 AromaticContact CE2-CE2 3.72Å; F13-F17 HydrophobicContact CE2-CE2 3.72Å; F13-F17 HydrophobicContact CE2-CZ 4.35Å; F13-F17 HydrophobicContact CG-CE2 4.24Å; F13-F17 AromaticContact CZ-CE2 3.47Å; F13-F17 HydrophobicContact CZ-CE2 3.47Å; F13-F17 VanDerWaalsContact CZ-CE2 3.47Å; F13-F17 HydrophobicContact CZ-CZ 4.11Å; F13-F17 WeakPolarHBondContact O-CD2 3.06Å; F13-F17 PolarHBondContact O-N 2.98Å; S14-F17 PolarHBondContact O-N 2.98Å; F17-F20 PolarHBondContact O-N 2.83Å; F17-Y21 WeakPolarHBondContact O-CB 3.34Å; F17-Y21 PolarHBondContact O-N 2.83Å
18L73.5Confident76.7Confident110 Ų11095.1 Ų95.158%0.57649%0.487SS*.Hα-helixtrans-64.2-45.7176.1-80.6161.5000111.7S14 G15 Y21 C22S14-L18 PolarHBondContact O-N 3.17Å; G15-L18 PolarHBondContact O-N 3.47Å; L18-Y21 WeakPolarHBondContact O-CB 3.43Å; L18-Y21 PolarHBondContact O-N 3.44Å; L18-C22 WeakPolarHBondContact O-CB 3.24Å; L18-C22 PolarHBondContact O-N 2.93Å; L18-C22 PolarHBondContact O-SG 3.46Å
19L73.5Confident76.6Confident107 Ų10791 Ų9156%0.5647%0.467SS*.Hα-helixtrans-62.5-44.5177-173.272.9000110.8G15 Y21 C22 L23G15-L19 VanDerWaalsContact O-CB 3.23Å; G15-L19 WeakPolarHBondContact O-CB 3.4Å; G15-L19 PolarHBondContact O-N 3.25Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 3Å; L19-C22 PolarHBondContact O-N 3.37Å; L19-L23 HydrophobicContact CD1-CD1 3.96Å; L19-L23 HydrophobicContact CD1-CG 4.27Å; L19-L23 HydrophobicContact CD2-CD1 4.3Å; L19-L23 HydrophobicContact CG-CD1 3.77Å; L19-L23 HydrophobicContact CG-CG 4.31Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.21Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.21Å; L19-L23 PolarHBondContact O-N 2.82Å
20F74.1Confident76.7Confident67 Ų6793.4 Ų93.429%0.29447%0.469SS..Hα-helixtrans-60-41.9174.7-177.5-107.7000111.8G16 F17 L23 R24 L32 K33 L36G16-F20 VanDerWaalsContact O-CB 3.24Å; G16-F20 WeakPolarHBondContact O-CB 3.31Å; G16-F20 PolarHBondContact O-N 3.39Å; F17-F20 PolarHBondContact O-N 2.83Å; F20-L23 PolarHBondContact O-N 3.44Å; F20-R24 WeakPolarHBondContact O-CA 3.41Å; F20-R24 WeakPolarHBondContact O-CB 3.36Å; F20-R24 PolarHBondContact O-N 2.93Å; F20-L32 HydrophobicContact CD2-CD2 3.61Å; F20-L32 HydrophobicContact CE2-CB 4.28Å; F20-L32 HydrophobicContact CE2-CD2 4.06Å; F20-K33 HydrophobicContact CE2-CB 4.31Å; F20-K33 HydrophobicContact CZ-CB 4.19Å; F20-L36 HydrophobicContact CE2-CD1 4.27Å
21Y72.5Confident77Confident142 Ų14294 Ų9456%0.55747%0.474SS*.Hα-helixtrans-62.6-47.6175.7-178.8-92.7000112F17 L18 L19 L23 R24F17-Y21 WeakPolarHBondContact O-CB 3.34Å; F17-Y21 PolarHBondContact O-N 2.83Å; L18-Y21 WeakPolarHBondContact O-CB 3.43Å; L18-Y21 PolarHBondContact O-N 3.44Å; L19-Y21 VanDerWaalsContact C-N 3.31Å; L19-Y21 PolarHBondContact O-N 3Å; Y21-L23 PolarHBondContact O-N 3.34Å; Y21-R24 WeakPolarHBondContact O-CB 3.5Å; Y21-R24 WeakPolarHBondContact O-CD 3.46Å; Y21-R24 VanDerWaalsContact O-CG 3.25Å; Y21-R24 WeakPolarHBondContact O-CG 3.13Å; Y21-R24 PolarHBondContact O-N 3.4Å; Y21-R24 PolarHBondContact OH-NH1 3.29Å
22C75.6Confident76.9Confident95 Ų9592.5 Ų92.564%0.64247%0.466SS*.Hα-helixtrans-63.7-40177.7-69.60000112.1L18 L19L18-C22 WeakPolarHBondContact O-CB 3.24Å; L18-C22 PolarHBondContact O-N 2.93Å; L18-C22 PolarHBondContact O-SG 3.46Å; L19-C22 PolarHBondContact O-N 3.37Å
23L79.5Confident76.8Confident56 Ų5694.4 Ų94.429%0.29347%0.465SS..Hα-helixtrans-85-4-177.8-66.2179.9000113.7L19 F20 Y21 H25 T26 G29L19-L23 HydrophobicContact CD1-CD1 3.96Å; L19-L23 HydrophobicContact CD1-CG 4.27Å; L19-L23 HydrophobicContact CD2-CD1 4.3Å; L19-L23 HydrophobicContact CG-CD1 3.77Å; L19-L23 HydrophobicContact CG-CG 4.31Å; L19-L23 VanDerWaalsContact O-CB 3.28Å; L19-L23 WeakPolarHBondContact O-CB 3.21Å; L19-L23 VanDerWaalsContact O-CG 3.3Å; L19-L23 WeakPolarHBondContact O-CG 3.21Å; L19-L23 PolarHBondContact O-N 2.82Å; F20-L23 PolarHBondContact O-N 3.44Å; Y21-L23 PolarHBondContact O-N 3.34Å; L23-H25 PolarHBondContact O-N 3.16Å; L23-T26 HydrophobicContact CD2-CG2 3.93Å; L23-T26 WeakPolarHBondContact O-CB 3.43Å; L23-T26 PolarHBondContact O-N 3.41Å; L23-T26 PolarHBondContact O-OG1 3.45Å; L23-G29 VanDerWaalsContact O-CA 3.3Å; L23-G29 WeakPolarHBondContact O-CA 3.47Å
24R75Confident76.9Confident109 Ų10993.3 Ų93.341%0.41146%0.46SS..THydrogen-bonded Turntrans-53.5-26-168.276.6-173.6-173.5-159.9-5.8115.6F20 Y21F20-R24 WeakPolarHBondContact O-CA 3.41Å; F20-R24 WeakPolarHBondContact O-CB 3.36Å; F20-R24 PolarHBondContact O-N 2.93Å; Y21-R24 WeakPolarHBondContact O-CB 3.5Å; Y21-R24 WeakPolarHBondContact O-CD 3.46Å; Y21-R24 VanDerWaalsContact O-CG 3.25Å; Y21-R24 WeakPolarHBondContact O-CG 3.13Å; Y21-R24 PolarHBondContact O-N 3.4Å; Y21-R24 PolarHBondContact OH-NH1 3.29Å
25H76.9Confident77.2Confident143 Ų14396.2 Ų96.266%0.66247%0.472SS*.THydrogen-bonded Turntrans-99.8-9.7179.1-64.9-65.8000114.1L23L23-H25 PolarHBondContact O-N 3.16Å
26T81.5Confident77.3Confident55 Ų5599.5 Ų99.534%0.33748%0.481SS..SBendtrans-74.3164177.569.30000111.4L23 M28 G29 R30L23-T26 HydrophobicContact CD2-CG2 3.93Å; L23-T26 WeakPolarHBondContact O-CB 3.43Å; L23-T26 PolarHBondContact O-N 3.41Å; L23-T26 PolarHBondContact O-OG1 3.45Å; T26-M28 PolarHBondContact O-N 3.38Å; T26-G29 PolarHBondContact O-N 3Å; T26-G29 PolarHBondContact OG1-N 2.96Å; T26-R30 PolarHBondContact O-N 3.48Å
27M81.2Confident77.3Confident140 Ų140102.1 Ų102.169%0.6949%0.487SS*.Hα-helixtrans-57.5-40.7172.1-69.8-63.6-72.200111.5R30 F31M27-R30 PolarHBondContact O-N 3.15Å; M27-R30 PolarHBondContact SD-NH2 2.83Å; M27-F31 PolarHBondContact O-N 3.23Å
28M79.5Confident77.6Confident123 Ų123100.7 Ų100.761%0.60648%0.48SS*.Hα-helixtrans-62.8-46.4176.2-172.566.487.100111.8T26 R30 F31 L32T26-M28 PolarHBondContact O-N 3.38Å; M28-R30 VanDerWaalsContact C-N 3.34Å; M28-R30 PolarHBondContact O-N 3.27Å; M28-F31 PolarHBondContact O-N 3.41Å; M28-L32 PolarHBondContact O-N 3.44Å
29G78.1Confident77.9Confident1 Ų198.9 Ų98.91%0.0148%0.475CS..Hα-helixtrans-65.7-34.917700000113.1L23 T26 K33L23-G29 VanDerWaalsContact O-CA 3.3Å; L23-G29 WeakPolarHBondContact O-CA 3.47Å; T26-G29 PolarHBondContact O-N 3Å; T26-G29 PolarHBondContact OG1-N 2.96Å; G29-K33 WeakPolarHBondContact O-CB 3.49Å; G29-K33 PolarHBondContact O-N 3.39Å
30R79.6Confident78.1Confident150 Ų15096.4 Ų96.457%0.56647%0.47SS*.Hα-helixtrans-63.2-43171.3-78.5-172.1-92.6168.8-8.9111.8T26 M27 M28 F34T26-R30 PolarHBondContact O-N 3.48Å; M27-R30 PolarHBondContact O-N 3.15Å; M27-R30 PolarHBondContact SD-NH2 2.83Å; M28-R30 VanDerWaalsContact C-N 3.34Å; M28-R30 PolarHBondContact O-N 3.27Å; R30-F34 WeakPolarHBondContact O-CB 3.49Å; R30-F34 PolarHBondContact O-N 2.88Å
31F82Confident78.3Confident124 Ų12495 Ų9554%0.54447%0.468SS..Hα-helixtrans-65.2-45.8175.8-177.8-100.8000112.1M27 M28 K33 F34 L35M27-F31 PolarHBondContact O-N 3.23Å; M28-F31 PolarHBondContact O-N 3.41Å; F31-K33 PolarHBondContact O-N 3.44Å; F31-F34 WeakPolarHBondContact O-CB 3.26Å; F31-F34 PolarHBondContact O-N 3.4Å; F31-F34 VanDerWaalsContact O-N 3.17Å; F31-L35 PolarHBondContact O-N 3.48Å
32L77.1Confident78.8Confident72 Ų7291.6 Ų91.638%0.37746%0.463SS..Hα-helixtrans-64.8-40.9177.7-152.182.3000111.7F20 M28 F34 L35 L36F20-L32 HydrophobicContact CD2-CD2 3.61Å; F20-L32 HydrophobicContact CE2-CB 4.28Å; F20-L32 HydrophobicContact CE2-CD2 4.06Å; M28-L32 PolarHBondContact O-N 3.44Å; L32-F34 VanDerWaalsContact C-N 3.31Å; L32-F34 PolarHBondContact O-N 2.92Å; L32-L35 PolarHBondContact O-N 3.33Å; L32-L36 HydrophobicContact CD2-CD1 4.19Å; L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CB 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.08Å; L32-L36 PolarHBondContact O-N 3.02Å
33K75.9Confident79.1Confident113 Ų11391.9 Ų91.949%0.49146%0.457SS..Hα-helixtrans-61.4-41173.2-175.3177.4-178.4-179.60111.1F20 G29 F31 L37F20-K33 HydrophobicContact CE2-CB 4.31Å; F20-K33 HydrophobicContact CZ-CB 4.19Å; G29-K33 WeakPolarHBondContact O-CB 3.49Å; G29-K33 PolarHBondContact O-N 3.39Å; F31-K33 PolarHBondContact O-N 3.44Å; K33-L37 HydrophobicContact CD-CD1 4.1Å; K33-L37 VanDerWaalsContact CE-CD1 3.47Å; K33-L37 HydrophobicContact CG-CD1 3.43Å; K33-L37 VanDerWaalsContact CG-CD1 3.43Å; K33-L37 HydrophobicContact CG-CG 4.06Å; K33-L37 WeakPolarHBondContact O-CB 3.29Å; K33-L37 VanDerWaalsContact O-CG 3.31Å; K33-L37 WeakPolarHBondContact O-CG 3.49Å; K33-L37 PolarHBondContact O-N 3.04Å
34F78.8Confident79.2Confident116 Ų11693.3 Ų93.351%0.50946%0.458SS..Hα-helixtrans-60.8-50.1173.2178.6-90000110.7R30 F31 L32 L36 K38R30-F34 WeakPolarHBondContact O-CB 3.49Å; R30-F34 PolarHBondContact O-N 2.88Å; F31-F34 WeakPolarHBondContact O-CB 3.26Å; F31-F34 PolarHBondContact O-N 3.4Å; F31-F34 VanDerWaalsContact O-N 3.17Å; L32-F34 VanDerWaalsContact C-N 3.31Å; L32-F34 PolarHBondContact O-N 2.92Å; F34-L36 PolarHBondContact O-N 2.94Å; F34-K38 HydrophobicContact CD1-CG 4.1Å; F34-K38 HydrophobicContact CD2-CG 3.85Å; F34-K38 HydrophobicContact CE1-CD 4.2Å; F34-K38 HydrophobicContact CE1-CG 3.91Å; F34-K38 HydrophobicContact CE2-CD 3.93Å; F34-K38 HydrophobicContact CE2-CG 3.67Å; F34-K38 HydrophobicContact CG-CG 4.08Å; F34-K38 HydrophobicContact CZ-CD 3.7Å; F34-K38 HydrophobicContact CZ-CG 3.71Å; F34-K38 WeakPolarHBondContact O-CA 3.21Å; F34-K38 WeakPolarHBondContact O-CB 3.48Å; F34-K38 WeakPolarHBondContact O-CG 3.32Å; F34-K38 PolarHBondContact O-N 3.3Å
35L80.1Confident79.6Confident101 Ų10192.8 Ų92.853%0.52947%0.467SS..Hα-helixtrans-61.5-42.3-179.4-168.176.4000112.9F31 L32 P39F31-L35 PolarHBondContact O-N 3.48Å; L32-L35 PolarHBondContact O-N 3.33Å; L35-P39 WeakPolarHBondContact O-CD 3.29Å; L35-P39 WeakPolarHBondContact O-CG 3.12Å
36L77.6Confident80.2Confident103 Ų10392.1 Ų92.154%0.53947%0.467SS..Hα-helixtrans-77.4-39.6-178.6-69.3170.6000112.8F20 L32 F34F20-L36 HydrophobicContact CE2-CD1 4.27Å; L32-L36 HydrophobicContact CD2-CD1 4.19Å; L32-L36 HydrophobicContact CG-CD1 4.17Å; L32-L36 WeakPolarHBondContact O-CB 3.17Å; L32-L36 WeakPolarHBondContact O-CG 3.08Å; L32-L36 PolarHBondContact O-N 3.02Å; F34-L36 PolarHBondContact O-N 2.94Å
37L78.2Confident80.4Confident88 Ų8891.6 Ų91.646%0.46146%0.461SS..Hα-helixtrans-91-20.8-175.9-59.1-177.4000113.5K33 A40 S41K33-L37 HydrophobicContact CD-CD1 4.1Å; K33-L37 VanDerWaalsContact CE-CD1 3.47Å; K33-L37 HydrophobicContact CG-CD1 3.43Å; K33-L37 VanDerWaalsContact CG-CD1 3.43Å; K33-L37 HydrophobicContact CG-CG 4.06Å; K33-L37 WeakPolarHBondContact O-CB 3.29Å; K33-L37 VanDerWaalsContact O-CG 3.31Å; K33-L37 WeakPolarHBondContact O-CG 3.49Å; K33-L37 PolarHBondContact O-N 3.04Å; L37-A40 PolarHBondContact O-N 3.2Å; L37-S41 WeakPolarHBondContact O-CB 3.28Å; L37-S41 PolarHBondContact O-N 2.77Å; L37-S41 PolarHBondContact O-OG 3.05Å
38K78.8Confident80.9Confident100 Ų10089 Ų8944%0.43545%0.454SS..Hα-helixtrans-58.6-52.7175.7-100-110.8171.5165.10111.9F34 A40 S41 V42F34-K38 HydrophobicContact CD1-CG 4.1Å; F34-K38 HydrophobicContact CD2-CG 3.85Å; F34-K38 HydrophobicContact CE1-CD 4.2Å; F34-K38 HydrophobicContact CE1-CG 3.91Å; F34-K38 HydrophobicContact CE2-CD 3.93Å; F34-K38 HydrophobicContact CE2-CG 3.67Å; F34-K38 HydrophobicContact CG-CG 4.08Å; F34-K38 HydrophobicContact CZ-CD 3.7Å; F34-K38 HydrophobicContact CZ-CG 3.71Å; F34-K38 WeakPolarHBondContact O-CA 3.21Å; F34-K38 WeakPolarHBondContact O-CB 3.48Å; F34-K38 WeakPolarHBondContact O-CG 3.32Å; F34-K38 PolarHBondContact O-N 3.3Å; K38-A40 VanDerWaalsContact C-N 3.29Å; K38-A40 PolarHBondContact O-N 3.48Å; K38-S41 WeakPolarHBondContact CA-OG 3.18Å; K38-S41 CarbonylContact O-C 3.46Å; K38-S41 PolarHBondContact O-N 3.26Å; K38-S41 PolarHBondContact O-OG 2.73Å; K38-V42 WeakPolarHBondContact O-CG2 3.24Å; K38-V42 PolarHBondContact O-N 3.41Å
39P79.9Confident81.3Confident71 Ų7189.8 Ų89.846%0.46146%0.455SS..Hα-helixtrans-54.9-46.6176.9-25.333.7000111.5L35 S41 V42 I43L35-P39 WeakPolarHBondContact O-CD 3.29Å; L35-P39 WeakPolarHBondContact O-CG 3.12Å; P39-S41 VanDerWaalsContact C-N 3.34Å; P39-S41 PolarHBondContact O-N 2.87Å; P39-V42 PolarHBondContact O-N 3.27Å; P39-I43 WeakPolarHBondContact O-CB 3.19Å; P39-I43 WeakPolarHBondContact O-CG1 3.32Å; P39-I43 PolarHBondContact O-N 2.79Å
40A77.7Confident81.8Confident55 Ų5593 Ų9346%0.45548%0.481SS..Hα-helixtrans-60.2-41.4176.400000112.5L37 K38 W44L37-A40 PolarHBondContact O-N 3.2Å; K38-A40 VanDerWaalsContact C-N 3.29Å; K38-A40 PolarHBondContact O-N 3.48Å; A40-W44 WeakPolarHBondContact O-CB 3.38Å; A40-W44 PolarHBondContact O-N 3.03Å
41S78.4Confident82.2Confident37 Ų3788.6 Ų88.626%0.25947%0.471SS..Hα-helixtrans-69.5-35176.770.20000113.3L37 K38 P39 W44 V45L37-S41 WeakPolarHBondContact O-CB 3.28Å; L37-S41 PolarHBondContact O-N 2.77Å; L37-S41 PolarHBondContact O-OG 3.05Å; K38-S41 WeakPolarHBondContact CA-OG 3.18Å; K38-S41 CarbonylContact O-C 3.46Å; K38-S41 PolarHBondContact O-N 3.26Å; K38-S41 PolarHBondContact O-OG 2.73Å; P39-S41 VanDerWaalsContact C-N 3.34Å; P39-S41 PolarHBondContact O-N 2.87Å; S41-W44 WeakPolarHBondContact O-CB 3.47Å; S41-W44 PolarHBondContact O-N 2.99Å; S41-V45 VanDerWaalsContact O-CG2 3.27Å; S41-V45 WeakPolarHBondContact O-CG2 3.26Å; S41-V45 PolarHBondContact O-N 2.83Å
42V82.4Confident82.5Confident72 Ų7285.2 Ų85.244%0.43645%0.454SS..Hα-helixtrans-68-49.3175.4171.10000109.3K38 P39 W44 V45 I46K38-V42 WeakPolarHBondContact O-CG2 3.24Å; K38-V42 PolarHBondContact O-N 3.41Å; P39-V42 PolarHBondContact O-N 3.27Å; V42-W44 VanDerWaalsContact C-N 3.26Å; V42-W44 PolarHBondContact O-N 3.15Å; V42-V45 PolarHBondContact O-N 2.85Å; V42-V45 VanDerWaalsContact O-N 3.12Å; V42-I46 HydrophobicContact CG1-CD1 3.64Å; V42-I46 HydrophobicContact CG1-CG1 4.42Å; V42-I46 VanDerWaalsContact O-CG1 3.24Å; V42-I46 WeakPolarHBondContact O-CG1 3.27Å; V42-I46 PolarHBondContact O-N 2.86Å
43I82.8Confident82.9Confident101 Ų10186.8 Ų86.852%0.51846%0.458SS..Hα-helixtrans-56-43.7173.2-66.2165.2000110.2P39 V45 I46 M47P39-I43 WeakPolarHBondContact O-CB 3.19Å; P39-I43 WeakPolarHBondContact O-CG1 3.32Å; P39-I43 PolarHBondContact O-N 2.79Å; I43-V45 PolarHBondContact O-N 3.36Å; I43-I46 PolarHBondContact O-N 2.89Å; I43-M47 HydrophobicContact CG2-CE 4.45Å; I43-M47 WeakPolarHBondContact O-CG 3.45Å; I43-M47 PolarHBondContact O-N 2.85Å
44W82.6Confident83.6Confident86 Ų8687.2 Ų87.233%0.32646%0.464SS..Hα-helixtrans-60.9-43.5176.6-173.8-96.2000112.6A40 S41 V42 I46 M47 R52 I55 S56A40-W44 WeakPolarHBondContact O-CB 3.38Å; A40-W44 PolarHBondContact O-N 3.03Å; S41-W44 WeakPolarHBondContact O-CB 3.47Å; S41-W44 PolarHBondContact O-N 2.99Å; V42-W44 VanDerWaalsContact C-N 3.26Å; V42-W44 PolarHBondContact O-N 3.15Å; W44-I46 VanDerWaalsContact C-N 3.35Å; W44-M47 HydrophobicContact CB-CE 4.43Å; W44-M47 HydrophobicContact CD2-CE 4.2Å; W44-M47 HydrophobicContact CE3-CE 3.46Å; W44-M47 VanDerWaalsContact CE3-CE 3.46Å; W44-M47 HydrophobicContact CZ3-CE 4.02Å; W44-M47 PolarHBondContact O-N 3.31Å; W44-R52 HydrophobicContact CD2-CG 4.01Å; W44-R52 HydrophobicContact CE3-CG 4.39Å; W44-R52 HydrophobicContact CG-CG 4.48Å; W44-R52 HydrophobicContact CH2-CB 4.31Å; W44-R52 HydrophobicContact CH2-CG 4.28Å; W44-R52 HydrophobicContact CZ2-CB 4.01Å; W44-R52 HydrophobicContact CZ2-CG 3.92Å; W44-R52 WeakPolarHBondContact O-CD 3.44Å; W44-R52 PolarHBondContact O-NE 3.45Å; W44-I55 HydrophobicContact CH2-CB 4.49Å; W44-I55 HydrophobicContact CH2-CG2 4.22Å; W44-I55 HydrophobicContact CZ3-CB 4.43Å; W44-I55 HydrophobicContact CZ3-CG2 3.94Å; W44-S56 WeakPolarHBondContact CH2-OG 2.92Å
45V83.5Confident84Confident97 Ų9784.3 Ų84.359%0.58845%0.453SS*.Hα-helixtrans-68.2-36.4178170.60000111.5S41 V42 I43S41-V45 VanDerWaalsContact O-CG2 3.27Å; S41-V45 WeakPolarHBondContact O-CG2 3.26Å; S41-V45 PolarHBondContact O-N 2.83Å; V42-V45 PolarHBondContact O-N 2.85Å; V42-V45 VanDerWaalsContact O-N 3.12Å; I43-V45 PolarHBondContact O-N 3.36Å
46I88.6Confident84.1Confident129 Ų12982.3 Ų82.366%0.66245%0.447SS*.Hα-helixtrans-70.2-32.6177-65.8167.1000111.3V42 I43 W44V42-I46 HydrophobicContact CG1-CD1 3.64Å; V42-I46 HydrophobicContact CG1-CG1 4.42Å; V42-I46 VanDerWaalsContact O-CG1 3.24Å; V42-I46 WeakPolarHBondContact O-CG1 3.27Å; V42-I46 PolarHBondContact O-N 2.86Å; I43-I46 PolarHBondContact O-N 2.89Å; W44-I46 VanDerWaalsContact C-N 3.35Å
47M86.1Confident84.5Confident45 Ų4582.3 Ų82.322%0.22244%0.444CS..SBendtrans-59.2133.2-179.6-85.3-166.4-72.300112.2I43 W44 V51 R52 I55I43-M47 HydrophobicContact CG2-CE 4.45Å; I43-M47 WeakPolarHBondContact O-CG 3.45Å; I43-M47 PolarHBondContact O-N 2.85Å; W44-M47 HydrophobicContact CB-CE 4.43Å; W44-M47 HydrophobicContact CD2-CE 4.2Å; W44-M47 HydrophobicContact CE3-CE 3.46Å; W44-M47 VanDerWaalsContact CE3-CE 3.46Å; W44-M47 HydrophobicContact CZ3-CE 4.02Å; W44-M47 PolarHBondContact O-N 3.31Å; M47-V51 HydrophobicContact SD-CG1 3.83Å; M47-R52 HydrophobicContact CB-CG 3.92Å; M47-R52 PolarHBondContact O-NE 3.14Å; M47-I55 HydrophobicContact CE-CD1 4.12Å; M47-I55 HydrophobicContact SD-CD1 3.75Å
48P90.3Very high84.7Confident84 Ų8481.8 Ų81.855%0.54545%0.445SS..  trans-50.8143.8174.9-26.433.5000111.7A50 V51 R52P48-A50 PolarHBondContact O-N 3.33Å; P48-V51 HydrophobicContact CB-CG2 4.19Å; P48-V51 HydrophobicContact CG-CG2 4.29Å; P48-V51 PolarHBondContact O-N 3.33Å; P48-R52 PolarHBondContact O-N 3.1Å
49F88.7Confident84.8Confident141 Ų14181 Ų8162%0.61844%0.444SS*.Hα-helixtrans-55.4-38.5-178.2177.2-99.2000112.5V51 R52 K53F49-V51 PolarHBondContact O-N 2.92Å; F49-R52 PolarHBondContact O-N 2.91Å; F49-K53 HydrophobicContact CE1-CD 4.32Å; F49-K53 VanDerWaalsContact O-CB 3.31Å; F49-K53 WeakPolarHBondContact O-CB 3.07Å; F49-K53 PolarHBondContact O-N 2.96Å
50A88.9Confident84.5Confident69 Ų6982.1 Ų82.157%0.5745%0.446SS*.Hα-helixtrans-60.3-43.4176.500000112.6P48 K53 M54P48-A50 PolarHBondContact O-N 3.33Å; A50-K53 PolarHBondContact O-N 3.29Å; A50-M54 WeakPolarHBondContact O-CB 3.41Å; A50-M54 PolarHBondContact O-N 3.09Å
51V88.4Confident84.5Confident57 Ų5785.2 Ų85.235%0.34545%0.446SS..Hα-helixtrans-67.2-46.1178178.10000110.5M47 P48 F49 K53 M54 I55M47-V51 HydrophobicContact SD-CG1 3.83Å; P48-V51 HydrophobicContact CB-CG2 4.19Å; P48-V51 HydrophobicContact CG-CG2 4.29Å; P48-V51 PolarHBondContact O-N 3.33Å; F49-V51 PolarHBondContact O-N 2.92Å; V51-K53 VanDerWaalsContact C-N 3.33Å; V51-K53 PolarHBondContact O-N 2.93Å; V51-M54 PolarHBondContact O-N 3.23Å; V51-I55 HydrophobicContact CG1-CD1 3.68Å; V51-I55 HydrophobicContact CG1-CG1 4.3Å; V51-I55 WeakPolarHBondContact O-CB 3.09Å; V51-I55 VanDerWaalsContact O-CG1 3.26Å; V51-I55 WeakPolarHBondContact O-CG1 3.42Å; V51-I55 PolarHBondContact O-N 3.33Å
52R86.9Confident84.3Confident52 Ų5287.9 Ų87.920%0.19645%0.453CS..Hα-helixtrans-57.5-45.6174.9-80.4-172.5-84.2170.87.9112.4W44 M47 P48 F49 I55 S56W44-R52 HydrophobicContact CD2-CG 4.01Å; W44-R52 HydrophobicContact CE3-CG 4.39Å; W44-R52 HydrophobicContact CG-CG 4.48Å; W44-R52 HydrophobicContact CH2-CB 4.31Å; W44-R52 HydrophobicContact CH2-CG 4.28Å; W44-R52 HydrophobicContact CZ2-CB 4.01Å; W44-R52 HydrophobicContact CZ2-CG 3.92Å; W44-R52 WeakPolarHBondContact O-CD 3.44Å; W44-R52 PolarHBondContact O-NE 3.45Å; M47-R52 HydrophobicContact CB-CG 3.92Å; M47-R52 PolarHBondContact O-NE 3.14Å; P48-R52 PolarHBondContact O-N 3.1Å; F49-R52 PolarHBondContact O-N 2.91Å; R52-I55 PolarHBondContact O-N 2.87Å; R52-S56 WeakPolarHBondContact O-CB 3.27Å; R52-S56 PolarHBondContact O-N 3.29Å; R52-S56 PolarHBondContact O-OG 3.24Å
53K87Confident83.8Confident106 Ų10688.2 Ų88.246%0.46145%0.452SS..Hα-helixtrans-61.3-50.9178.4-178.3-179.6172.1-1740110.4F49 A50 V51 I55 S56 E57F49-K53 HydrophobicContact CE1-CD 4.32Å; F49-K53 VanDerWaalsContact O-CB 3.31Å; F49-K53 WeakPolarHBondContact O-CB 3.07Å; F49-K53 PolarHBondContact O-N 2.96Å; A50-K53 PolarHBondContact O-N 3.29Å; V51-K53 VanDerWaalsContact C-N 3.33Å; V51-K53 PolarHBondContact O-N 2.93Å; K53-I55 VanDerWaalsContact C-N 3.35Å; K53-I55 PolarHBondContact O-N 3.35Å; K53-S56 PolarHBondContact O-N 2.08Å; K53-E57 WeakPolarHBondContact CE-OE1 3.45Å; K53-E57 HydrophobicContact CG-CG 4.39Å; K53-E57 IonicContact NZ-OE1 3.79Å; K53-E57 WeakPolarHBondContact O-CB 3.34Å; K53-E57 WeakPolarHBondContact O-CG 3.21Å; K53-E57 PolarHBondContact O-N 3.17Å
54M89.8Confident83.3Confident122 Ų12288.3 Ų88.360%0.60145%0.449SS*.Hα-helixtrans-56.9-46.1176.8-177.6-164.6-69.200111.8A50 V51 E57 T58A50-M54 WeakPolarHBondContact O-CB 3.41Å; A50-M54 PolarHBondContact O-N 3.09Å; V51-M54 PolarHBondContact O-N 3.23Å; M54-E57 PolarHBondContact O-N 2.91Å; M54-T58 VanDerWaalsContact O-CB 3.27Å; M54-T58 WeakPolarHBondContact O-CB 3.47Å; M54-T58 PolarHBondContact O-N 3.38Å; M54-T58 PolarHBondContact O-OG1 3.46Å
55I87.1Confident83Confident55 Ų5588.6 Ų88.628%0.28245%0.454SS..Hα-helixtrans-63.1-47.6177.5-68.8169.4000110.5W44 M47 V51 R52 K53 E57 T58 I59W44-I55 HydrophobicContact CH2-CB 4.49Å; W44-I55 HydrophobicContact CH2-CG2 4.22Å; W44-I55 HydrophobicContact CZ3-CB 4.43Å; W44-I55 HydrophobicContact CZ3-CG2 3.94Å; M47-I55 HydrophobicContact CE-CD1 4.12Å; M47-I55 HydrophobicContact SD-CD1 3.75Å; V51-I55 HydrophobicContact CG1-CD1 3.68Å; V51-I55 HydrophobicContact CG1-CG1 4.3Å; V51-I55 WeakPolarHBondContact O-CB 3.09Å; V51-I55 VanDerWaalsContact O-CG1 3.26Å; V51-I55 WeakPolarHBondContact O-CG1 3.42Å; V51-I55 PolarHBondContact O-N 3.33Å; R52-I55 PolarHBondContact O-N 2.87Å; K53-I55 VanDerWaalsContact C-N 3.35Å; K53-I55 PolarHBondContact O-N 3.35Å; I55-E57 VanDerWaalsContact C-N 3.35Å; I55-E57 PolarHBondContact O-N 3.21Å; I55-T58 PolarHBondContact O-N 3.25Å; I55-I59 HydrophobicContact CG2-CD1 3.51Å; I55-I59 HydrophobicContact CG2-CG1 4.2Å; I55-I59 VanDerWaalsContact O-CB 3.32Å; I55-I59 WeakPolarHBondContact O-CB 3.32Å; I55-I59 WeakPolarHBondContact O-CG1 3.44Å; I55-I59 PolarHBondContact O-N 2.78Å
56S83.2Confident82.7Confident58 Ų5888.8 Ų88.841%0.40644%0.444SS..Hα-helixtrans-61.2-42.1178-69.80000112.4W44 R52 K53 L60W44-S56 WeakPolarHBondContact CH2-OG 2.92Å; R52-S56 WeakPolarHBondContact O-CB 3.27Å; R52-S56 PolarHBondContact O-N 3.29Å; R52-S56 PolarHBondContact O-OG 3.24Å; K53-S56 PolarHBondContact O-N 2.08Å; S56-L60 WeakPolarHBondContact O-CB 3.35Å; S56-L60 PolarHBondContact O-N 3.28Å
57E85Confident82.4Confident103 Ų10385.4 Ų85.448%0.48143%0.426SS..Hα-helixtrans-67.8-43.1177.2-73.7173.6169.400111.2K53 M54 I55 L60 W61K53-E57 WeakPolarHBondContact CE-OE1 3.45Å; K53-E57 HydrophobicContact CG-CG 4.39Å; K53-E57 IonicContact NZ-OE1 3.79Å; K53-E57 WeakPolarHBondContact O-CB 3.34Å; K53-E57 WeakPolarHBondContact O-CG 3.21Å; K53-E57 PolarHBondContact O-N 3.17Å; M54-E57 PolarHBondContact O-N 2.91Å; I55-E57 VanDerWaalsContact C-N 3.35Å; I55-E57 PolarHBondContact O-N 3.21Å; E57-L60 PolarHBondContact O-N 2.87Å; E57-W61 WeakPolarHBondContact O-CB 3.49Å; E57-W61 PolarHBondContact O-N 2.85Å
58T83.2Confident82.5Confident78 Ų7886.6 Ų86.648%0.47944%0.438SS..Hα-helixtrans-64.9-42.8177.4-54.60000111.5M54 I55 W61 F62M54-T58 VanDerWaalsContact O-CB 3.27Å; M54-T58 WeakPolarHBondContact O-CB 3.47Å; M54-T58 PolarHBondContact O-N 3.38Å; M54-T58 PolarHBondContact O-OG1 3.46Å; I55-T58 PolarHBondContact O-N 3.25Å; T58-W61 PolarHBondContact O-N 2.86Å; T58-F62 VanDerWaalsContact O-CB 3.29Å; T58-F62 WeakPolarHBondContact O-CB 3.35Å; T58-F62 PolarHBondContact O-N 2.82Å
59I79.4Confident82.4Confident82 Ų8285.1 Ų85.142%0.42143%0.425SS..Hα-helixtrans-65-43.4175.2-69.9172.1000110.1I55 W61 L63I55-I59 HydrophobicContact CG2-CD1 3.51Å; I55-I59 HydrophobicContact CG2-CG1 4.2Å; I55-I59 VanDerWaalsContact O-CB 3.32Å; I55-I59 WeakPolarHBondContact O-CB 3.32Å; I55-I59 WeakPolarHBondContact O-CG1 3.44Å; I55-I59 PolarHBondContact O-N 2.78Å; I59-W61 VanDerWaalsContact C-N 3.33Å; I59-L63 HydrophobicContact CG2-CD1 3.69Å; I59-L63 HydrophobicContact CG2-CG 4.29Å; I59-L63 VanDerWaalsContact O-CB 3.24Å; I59-L63 WeakPolarHBondContact O-CB 3.48Å; I59-L63 WeakPolarHBondContact O-CG 3.48Å; I59-L63 PolarHBondContact O-N 3.43Å
60L75.4Confident82.4Confident96 Ų9680 Ų8050%0.50340%0.401SS..Hα-helixtrans-62.4-45.1178.4-174.567.8000110.8S56 E57 F64S56-L60 WeakPolarHBondContact O-CB 3.35Å; S56-L60 PolarHBondContact O-N 3.28Å; E57-L60 PolarHBondContact O-N 2.87Å; L60-F64 HydrophobicContact CD1-CB 3.92Å; L60-F64 HydrophobicContact CD1-CD2 3.71Å; L60-F64 HydrophobicContact CD1-CE2 4.43Å; L60-F64 HydrophobicContact CD1-CG 3.97Å; L60-F64 WeakPolarHBondContact O-CA 3.37Å; L60-F64 WeakPolarHBondContact O-CB 3.38Å; L60-F64 PolarHBondContact O-N 2.87Å
61W76.5Confident82.6Confident119 Ų11978.6 Ų78.645%0.45138%0.383SS..Hα-helixtrans-60.2-52.5177.4-175.881.7000111.2E57 T58 I59 E65 H67E57-W61 WeakPolarHBondContact O-CB 3.49Å; E57-W61 PolarHBondContact O-N 2.85Å; T58-W61 PolarHBondContact O-N 2.86Å; I59-W61 VanDerWaalsContact C-N 3.33Å; W61-E65 PolarHBondContact NE1-OE2 3.37Å; W61-E65 WeakPolarHBondContact O-CB 3.36Å; W61-E65 PolarHBondContact O-N 2.7Å; W61-H67 AromaticContact CH2-CD2 3.98Å; W61-H67 AromaticContact CH2-NE2 3.71Å
62F74Confident82.8Confident93 Ų9379.8 Ų79.841%0.40839%0.39SS..Hα-helixtrans-69.4-39.2-177.3-168.6-100.4000113.2T58 I69 Y70T58-F62 VanDerWaalsContact O-CB 3.29Å; T58-F62 WeakPolarHBondContact O-CB 3.35Å; T58-F62 PolarHBondContact O-N 2.82Å; F62-I69 HydrophobicContact CE2-CD1 3.68Å; F62-I69 HydrophobicContact CZ-CD1 3.82Å; F62-Y70 PolarHBondContact O-OH 3.46Å; F62-Y70 VanDerWaalsContact O-OH 3.1Å
63L73.1Confident83Confident80 Ų8080.5 Ų80.542%0.41940%0.4SS..Hα-helixtrans-93.6-24.2-172.2-64.2-177.3000115.3I59 Y70I59-L63 HydrophobicContact CG2-CD1 3.69Å; I59-L63 HydrophobicContact CG2-CG 4.29Å; I59-L63 VanDerWaalsContact O-CB 3.24Å; I59-L63 WeakPolarHBondContact O-CB 3.48Å; I59-L63 WeakPolarHBondContact O-CG 3.48Å; I59-L63 PolarHBondContact O-N 3.43Å; L63-Y70 VanDerWaalsContact CA-OH 3.32Å; L63-Y70 WeakPolarHBondContact CA-OH 3.24Å
64F71.8Confident83.2Confident102 Ų10276.6 Ų76.645%0.44738%0.383SS..Hα-helixtrans-127.3-8-168.4-58.3-89.8000114.7L60 R168L60-F64 HydrophobicContact CD1-CB 3.92Å; L60-F64 HydrophobicContact CD1-CD2 3.71Å; L60-F64 HydrophobicContact CD1-CE2 4.43Å; L60-F64 HydrophobicContact CD1-CG 3.97Å; L60-F64 WeakPolarHBondContact O-CA 3.37Å; L60-F64 WeakPolarHBondContact O-CB 3.38Å; L60-F64 PolarHBondContact O-N 2.87Å; F64-R168 PolarHBondContact O-NE 2.86Å
65E77Confident83.4Confident93 Ų9374.5 Ų74.544%0.43537%0.374SS..SBendtrans-86.9169171.2-64.8-170.4-169.700112.6W61 H67W61-E65 PolarHBondContact NE1-OE2 3.37Å; W61-E65 WeakPolarHBondContact O-CB 3.36Å; W61-E65 PolarHBondContact O-N 2.7Å; E65-H67 PolarHBondContact O-N 3.43Å
66R77.2Confident83.7Confident101 Ų10175 Ų7538%0.38138%0.382SS..  trans-72.9118.5174.1-77.1-172.5161.7-173.7-17.5109.5R168 C169 H179 N184R66-R168 WeakPolarHBondContact CD-O 3.47Å; R66-R168 HydrophobicContact CG-CB 4.05Å; R66-R168 VanDerWaalsContact CZ-O 3.32Å; R66-R168 PolarHBondContact NE-O 3.35Å; R66-R168 PolarHBondContact NH1-O 2.98Å; R66-C169 VanDerWaalsContact NH2-CB 3.28Å; R66-C169 PolarHBondContact NH2-SG 2.86Å; R66-H179 PolarHBondContact NE-CE1 2.89Å; R66-N184 WeakPolarHBondContact CB-OD1 3.34Å; R66-N184 WeakPolarHBondContact CG-OD1 3.5Å
67H81.6Confident84.1Confident58 Ų5876.3 Ų76.327%0.26939%0.39SS..  trans-145.5134.2176.1-149.5-67.2000110.7W61 E65 I69W61-H67 AromaticContact CH2-CD2 3.98Å; W61-H67 AromaticContact CH2-NE2 3.71Å; E65-H67 PolarHBondContact O-N 3.43Å; H67-I69 HydrophobicContact CB-CG2 3.86Å; H67-I69 WeakPolarHBondContact ND1-CB 3.26Å; H67-I69 PolarHBondContact ND1-N 2.99Å; H67-I69 PolarHBondContact O-N 3.42Å
68C88.4Confident84.4Confident70 Ų7072.4 Ų72.447%0.47337%0.372SS..THydrogen-bonded Turntrans-66.4-7.2176.563.10000113Y70 Q71 V72C68-Y70 VanDerWaalsContact C-N 3.26Å; C68-Y70 PolarHBondContact O-N 3.14Å; C68-Q71 WeakPolarHBondContact O-CB 3.43Å; C68-Q71 PolarHBondContact O-N 3.42Å; C68-V72 WeakPolarHBondContact O-CG2 3.37Å; C68-V72 PolarHBondContact O-N 3.12Å
69I88.6Confident84.8Confident53 Ų5373.8 Ų73.827%0.27238%0.38SS..Hα-helixtrans-61.9-36.5-178.4-165.1170.3000111.1F62 H67 Q71 V72 V73F62-I69 HydrophobicContact CE2-CD1 3.68Å; F62-I69 HydrophobicContact CZ-CD1 3.82Å; H67-I69 HydrophobicContact CB-CG2 3.86Å; H67-I69 WeakPolarHBondContact ND1-CB 3.26Å; H67-I69 PolarHBondContact ND1-N 2.99Å; H67-I69 PolarHBondContact O-N 3.42Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 3.22Å; I69-V72 PolarHBondContact O-N 2.91Å; I69-V73 HydrophobicContact CG1-CG2 4.34Å; I69-V73 WeakPolarHBondContact O-CB 3.45Å; I69-V73 VanDerWaalsContact O-CG2 3.24Å; I69-V73 WeakPolarHBondContact O-CG2 3.29Å; I69-V73 PolarHBondContact O-N 2.66Å
70Y88Confident85.4Confident33 Ų3375.9 Ų75.913%0.12939%0.386CS..Hα-helixtrans-64.8-35.6176-70.5-72.1000112.4F62 L63 C68 Y74 V181 W182F62-Y70 PolarHBondContact O-OH 3.46Å; F62-Y70 VanDerWaalsContact O-OH 3.1Å; L63-Y70 VanDerWaalsContact CA-OH 3.32Å; L63-Y70 WeakPolarHBondContact CA-OH 3.24Å; C68-Y70 VanDerWaalsContact C-N 3.26Å; C68-Y70 PolarHBondContact O-N 3.14Å; Y70-Y74 VanDerWaalsContact O-CB 3.26Å; Y70-Y74 WeakPolarHBondContact O-CB 3.07Å; Y70-Y74 PolarHBondContact O-N 2.89Å; Y70-V181 VanDerWaalsContact CB-O 3.3Å; Y70-V181 WeakPolarHBondContact CB-O 3.26Å; Y70-V181 HydrophobicContact CD2-CB 4.11Å; Y70-V181 HydrophobicContact CE2-CB 4.35Å; Y70-V181 HydrophobicContact CG-CB 4.3Å; Y70-W182 HydrophobicContact CD1-CE3 4.41Å; Y70-W182 HydrophobicContact CD1-CZ3 4.3Å
71Q92.4Very high86.2Confident40 Ų4072.2 Ų72.219%0.18737%0.372CS..Hα-helixtrans-70.1-42.8175.4-54.1178.3-6800110.4C68 I69 Y74 L75 Y117 T183 N184C68-Q71 WeakPolarHBondContact O-CB 3.43Å; C68-Q71 PolarHBondContact O-N 3.42Å; I69-Q71 VanDerWaalsContact C-N 3.3Å; I69-Q71 PolarHBondContact O-N 3.22Å; Q71-Y74 PolarHBondContact O-N 3.29Å; Q71-L75 WeakPolarHBondContact O-CB 3.37Å; Q71-L75 VanDerWaalsContact O-CG 3.28Å; Q71-L75 WeakPolarHBondContact O-CG 3.44Å; Q71-L75 PolarHBondContact O-N 2.92Å; Q71-Y117 WeakPolarHBondContact CA-OH 3.37Å; Q71-Y117 VanDerWaalsContact CB-OH 3.29Å; Q71-Y117 WeakPolarHBondContact CB-OH 3.29Å; Q71-Y117 VanDerWaalsContact CG-OH 3.31Å; Q71-Y117 WeakPolarHBondContact CG-OH 3.34Å; Q71-T183 PolarHBondContact NE2-O 3.47Å; Q71-N184 HydrophobicContact CG-CB 4.21Å
72V92.6Very high87Confident82 Ų8267.6 Ų67.650%0.49736%0.355SS..Hα-helixtrans-62.1-45.8175.2174.30000111.4C68 I69 L75 S76C68-V72 WeakPolarHBondContact O-CG2 3.37Å; C68-V72 PolarHBondContact O-N 3.12Å; I69-V72 PolarHBondContact O-N 2.91Å; V72-L75 PolarHBondContact O-N 3.44Å; V72-S76 VanDerWaalsContact O-CB 3.28Å; V72-S76 WeakPolarHBondContact O-CB 3.19Å; V72-S76 PolarHBondContact O-N 3.39Å; V72-S76 PolarHBondContact O-OG 3.29Å
73V91.5Very high87.8Confident66 Ų6669.2 Ų69.240%0.436%0.36SS..Hα-helixtrans-61.5-46.1177168.80000110.4I69 S76 C77I69-V73 HydrophobicContact CG1-CG2 4.34Å; I69-V73 WeakPolarHBondContact O-CB 3.45Å; I69-V73 VanDerWaalsContact O-CG2 3.24Å; I69-V73 WeakPolarHBondContact O-CG2 3.29Å; I69-V73 PolarHBondContact O-N 2.66Å; V73-S76 PolarHBondContact O-N 3.26Å; V73-C77 WeakPolarHBondContact O-CB 3.37Å; V73-C77 PolarHBondContact O-N 3.26Å; V73-C77 PolarHBondContact O-SG 2.74Å
74Y91.8Very high88.7Confident25 Ų2565.8 Ų65.810%0.09834%0.342CS..Hα-helixtrans-58.4-51.2176.7173.7-103.6000112.1Y70 Q71 S76 C77 L78 N113 Y117 F198Y70-Y74 VanDerWaalsContact O-CB 3.26Å; Y70-Y74 WeakPolarHBondContact O-CB 3.07Å; Y70-Y74 PolarHBondContact O-N 2.89Å; Q71-Y74 PolarHBondContact O-N 3.29Å; Y74-S76 VanDerWaalsContact C-N 3.32Å; Y74-S76 PolarHBondContact O-N 2.8Å; Y74-C77 PolarHBondContact O-N 3.33Å; Y74-L78 HydrophobicContact CD1-CD1 4.18Å; Y74-L78 HydrophobicContact CE1-CD1 3.5Å; Y74-L78 VanDerWaalsContact CE1-CD1 3.5Å; Y74-L78 HydrophobicContact CE1-CG 4.28Å; Y74-L78 HydrophobicContact CE2-CD1 4.25Å; Y74-L78 HydrophobicContact CE2-CD2 4.5Å; Y74-L78 HydrophobicContact CE2-CG 4.32Å; Y74-L78 PolarHBondContact O-N 3.4Å; Y74-N113 PolarHBondContact OH-OD1 2.76Å; Y74-Y117 HydrophobicContact CD1-CD1 4.21Å; Y74-Y117 AromaticContact CD1-CD2 4Å; Y74-Y117 HydrophobicContact CD1-CD2 4Å; Y74-Y117 AromaticContact CD1-CE1 3.8Å; Y74-Y117 HydrophobicContact CD1-CE1 3.8Å; Y74-Y117 AromaticContact CD1-CE2 3.57Å; Y74-Y117 HydrophobicContact CD1-CE2 3.57Å; Y74-Y117 HydrophobicContact CD1-CG 4.29Å; Y74-Y117 AromaticContact CD1-CZ 3.45Å; Y74-Y117 VanDerWaalsContact CD1-CZ 3.45Å; Y74-Y117 AromaticContact CE1-CD1 3.86Å; Y74-Y117 HydrophobicContact CE1-CD1 3.86Å; Y74-Y117 AromaticContact CE1-CD2 3.44Å; Y74-Y117 HydrophobicContact CE1-CD2 3.44Å; Y74-Y117 VanDerWaalsContact CE1-CD2 3.44Å; Y74-Y117 AromaticContact CE1-CE1 3.94Å; Y74-Y117 HydrophobicContact CE1-CE1 3.94Å; Y74-Y117 AromaticContact CE1-CE2 3.53Å; Y74-Y117 HydrophobicContact CE1-CE2 3.53Å; Y74-Y117 AromaticContact CE1-CG 3.6Å; Y74-Y117 HydrophobicContact CE1-CG 3.6Å; Y74-Y117 AromaticContact CE1-CZ 3.77Å; Y74-Y117 HydrophobicContact CG-CE2 4.34Å; Y74-F198 WeakPolarHBondContact OH-CE2 3.31Å
75L92.9Very high89.7Confident78 Ų7861.1 Ų61.141%0.40832%0.321SS..Hα-helixtrans-62.7-39.2178.3-68.7173.6000111.9Q71 V72 L78 V79 Y117Q71-L75 WeakPolarHBondContact O-CB 3.37Å; Q71-L75 VanDerWaalsContact O-CG 3.28Å; Q71-L75 WeakPolarHBondContact O-CG 3.44Å; Q71-L75 PolarHBondContact O-N 2.92Å; V72-L75 PolarHBondContact O-N 3.44Å; L75-L78 PolarHBondContact O-N 3.4Å; L75-V79 WeakPolarHBondContact O-CG2 3.4Å; L75-V79 PolarHBondContact O-N 2.81Å; L75-Y117 HydrophobicContact CD2-CD1 4.37Å; L75-Y117 HydrophobicContact CD2-CE1 4.2Å; L75-Y117 HydrophobicContact CG-CE1 4.44Å
76S93.1Very high90.4Very high66 Ų6660 Ų6046%0.46232%0.318SS..Hα-helixtrans-63-43.9176.7-58.40000111.5V72 V73 Y74 L78 V79 F80V72-S76 VanDerWaalsContact O-CB 3.28Å; V72-S76 WeakPolarHBondContact O-CB 3.19Å; V72-S76 PolarHBondContact O-N 3.39Å; V72-S76 PolarHBondContact O-OG 3.29Å; V73-S76 PolarHBondContact O-N 3.26Å; Y74-S76 VanDerWaalsContact C-N 3.32Å; Y74-S76 PolarHBondContact O-N 2.8Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.95Å; S76-V79 PolarHBondContact O-N 2.76Å; S76-F80 VanDerWaalsContact O-CB 3.24Å; S76-F80 WeakPolarHBondContact O-CB 3.21Å; S76-F80 PolarHBondContact O-N 2.75Å
77C92.3Very high91.2Very high84 Ų8459.8 Ų59.857%0.56832%0.322SS*.Hα-helixtrans-61.4-40.9174.9-71.90000112V73 Y74 G81V73-C77 WeakPolarHBondContact O-CB 3.37Å; V73-C77 PolarHBondContact O-N 3.26Å; V73-C77 PolarHBondContact O-SG 2.74Å; Y74-C77 PolarHBondContact O-N 3.33Å; C77-G81 PolarHBondContact O-N 3.18Å
78L92.1Very high91.7Very high22 Ų2258 Ų5812%0.11531%0.314CS..Hα-helixtrans-64.8-47.9176.8-71.7-175.2000112.4Y74 L75 S76 H82 L110 M205Y74-L78 HydrophobicContact CD1-CD1 4.18Å; Y74-L78 HydrophobicContact CE1-CD1 3.5Å; Y74-L78 VanDerWaalsContact CE1-CD1 3.5Å; Y74-L78 HydrophobicContact CE1-CG 4.28Å; Y74-L78 HydrophobicContact CE2-CD1 4.25Å; Y74-L78 HydrophobicContact CE2-CD2 4.5Å; Y74-L78 HydrophobicContact CE2-CG 4.32Å; Y74-L78 PolarHBondContact O-N 3.4Å; L75-L78 PolarHBondContact O-N 3.4Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.95Å; L78-H82 WeakPolarHBondContact O-CB 3.36Å; L78-H82 PolarHBondContact O-N 3.4Å; L78-H82 PolarHBondContact O-ND1 3.33Å; L78-L110 HydrophobicContact CB-CD1 4.45Å; L78-L110 HydrophobicContact CD1-CD1 4.48Å; L78-M205 HydrophobicContact CD2-CE 3.38Å; L78-M205 HydrophobicContact CD2-SD 4.42Å
79V90.8Very high92Very high106 Ų10654.6 Ų54.664%0.64229%0.292SS*.Hα-helixtrans-64.4-47.2-179.6171.50000110.6L75 S76 H82 Y83L75-V79 WeakPolarHBondContact O-CG2 3.4Å; L75-V79 PolarHBondContact O-N 2.81Å; S76-V79 PolarHBondContact O-N 2.76Å; V79-H82 PolarHBondContact O-N 2.77Å; V79-Y83 WeakPolarHBondContact O-CB 3.31Å; V79-Y83 PolarHBondContact O-N 3.46Å
80F92.1Very high92.2Very high126 Ų12653 Ų5355%0.55328%0.283SS*.Hα-helixtrans-65.4-42.6179.4-175.5-108.4000112.3S76 H82 Y83 I84S76-F80 VanDerWaalsContact O-CB 3.24Å; S76-F80 WeakPolarHBondContact O-CB 3.21Å; S76-F80 PolarHBondContact O-N 2.75Å; F80-H82 PolarHBondContact O-N 3.26Å; F80-Y83 WeakPolarHBondContact O-CB 3.48Å; F80-Y83 PolarHBondContact O-N 2.91Å; F80-I84 HydrophobicContact CD1-CD1 3.97Å; F80-I84 HydrophobicContact CE1-CD1 3.45Å; F80-I84 VanDerWaalsContact CE1-CD1 3.45Å; F80-I84 HydrophobicContact CE1-CG1 4.44Å; F80-I84 HydrophobicContact CE2-CD1 4.44Å; F80-I84 HydrophobicContact CZ-CD1 3.72Å; F80-I84 HydrophobicContact CZ-CG1 4.41Å; F80-I84 PolarHBondContact O-N 3.12Å
81G93.2Very high92.4Very high19 Ų1954.9 Ų54.920%0.19630%0.298CS..Hα-helixtrans-62-42.3175.400000112.5C77 I84 L85C77-G81 PolarHBondContact O-N 3.18Å; G81-I84 PolarHBondContact O-N 3.4Å; G81-L85 WeakPolarHBondContact O-CB 3.47Å; G81-L85 PolarHBondContact O-N 3.33Å
82H91.6Very high92.4Very high22 Ų2254 Ų5410%0.10230%0.296CS..Hα-helixtrans-71-32.8176.4-78.980.7000113.1L78 V79 F80 L85 I86 L110L78-H82 WeakPolarHBondContact O-CB 3.36Å; L78-H82 PolarHBondContact O-N 3.4Å; L78-H82 PolarHBondContact O-ND1 3.33Å; V79-H82 PolarHBondContact O-N 2.77Å; F80-H82 PolarHBondContact O-N 3.26Å; H82-L85 PolarHBondContact O-N 3.28Å; H82-I86 WeakPolarHBondContact O-CB 3.35Å; H82-I86 VanDerWaalsContact O-CG1 3.3Å; H82-I86 WeakPolarHBondContact O-CG1 3.42Å; H82-I86 PolarHBondContact O-N 3.37Å; H82-L110 HydrophobicContact CB-CD2 4.22Å; H82-L110 WeakPolarHBondContact NE2-CB 3.43Å
83Y91.9Very high92.4Very high127 Ų12750.2 Ų50.250%0.49827%0.273SS..Hα-helixtrans-59.2-48.8171.5170.5-95.9000111.2V79 F80 L85 I86 M87V79-Y83 WeakPolarHBondContact O-CB 3.31Å; V79-Y83 PolarHBondContact O-N 3.46Å; F80-Y83 WeakPolarHBondContact O-CB 3.48Å; F80-Y83 PolarHBondContact O-N 2.91Å; Y83-L85 VanDerWaalsContact C-N 3.35Å; Y83-L85 PolarHBondContact O-N 3.17Å; Y83-I86 PolarHBondContact O-N 3.08Å; Y83-M87 HydrophobicContact CD2-CE 4.45Å; Y83-M87 HydrophobicContact CD2-CG 3.93Å; Y83-M87 HydrophobicContact CE1-CG 4.41Å; Y83-M87 HydrophobicContact CE2-CE 4.03Å; Y83-M87 HydrophobicContact CE2-CG 3.56Å; Y83-M87 WeakPolarHBondContact O-CB 3.44Å; Y83-M87 WeakPolarHBondContact O-CG 3.5Å; Y83-M87 PolarHBondContact O-N 2.99Å
84I92.7Very high92.5Very high8 Ų853.5 Ų53.54%0.04128%0.279CS..Hα-helixtrans-60.9-45.3174.9-66.6172.8000110.4F80 G81 I86 M87 D88 R256 M260F80-I84 HydrophobicContact CD1-CD1 3.97Å; F80-I84 HydrophobicContact CE1-CD1 3.45Å; F80-I84 VanDerWaalsContact CE1-CD1 3.45Å; F80-I84 HydrophobicContact CE1-CG1 4.44Å; F80-I84 HydrophobicContact CE2-CD1 4.44Å; F80-I84 HydrophobicContact CZ-CD1 3.72Å; F80-I84 HydrophobicContact CZ-CG1 4.41Å; F80-I84 PolarHBondContact O-N 3.12Å; G81-I84 PolarHBondContact O-N 3.4Å; I84-I86 VanDerWaalsContact C-N 3.32Å; I84-I86 PolarHBondContact O-N 3.29Å; I84-M87 PolarHBondContact O-N 3.28Å; I84-D88 HydrophobicContact CG2-CB 4.34Å; I84-D88 VanDerWaalsContact O-CB 3.31Å; I84-D88 WeakPolarHBondContact O-CB 3.48Å; I84-D88 PolarHBondContact O-N 2.62Å; I84-R256 HydrophobicContact CD1-CB 4.4Å; I84-R256 HydrophobicContact CG2-CB 4.37Å; I84-M260 HydrophobicContact CB-CE 4.41Å; I84-M260 HydrophobicContact CB-SD 3.99Å; I84-M260 HydrophobicContact CG2-CE 3.71Å; I84-M260 HydrophobicContact CG2-SD 3.8Å
85L93.1Very high92.4Very high5 Ų561.2 Ų61.23%0.02631%0.308CS..Iπ-helixtrans-58.5-43.1178.5-170.873.3000111.9G81 H82 Y83 V89 I90 L212G81-L85 WeakPolarHBondContact O-CB 3.47Å; G81-L85 PolarHBondContact O-N 3.33Å; H82-L85 PolarHBondContact O-N 3.28Å; Y83-L85 VanDerWaalsContact C-N 3.35Å; Y83-L85 PolarHBondContact O-N 3.17Å; L85-V89 HydrophobicContact CD1-CB 4Å; L85-V89 HydrophobicContact CD1-CG1 4.09Å; L85-V89 HydrophobicContact CD1-CG2 4.18Å; L85-V89 CarbonylContact O-C 3.19Å; L85-V89 WeakPolarHBondContact O-CA 3.22Å; L85-V89 VanDerWaalsContact O-CB 3.26Å; L85-V89 WeakPolarHBondContact O-CB 3.13Å; L85-V89 PolarHBondContact O-N 3.25Å; L85-I90 HydrophobicContact CD2-CD1 4.5Å; L85-I90 HydrophobicContact CG-CD1 4.24Å; L85-I90 HydrophobicContact CG-CG1 4.46Å; L85-I90 WeakPolarHBondContact O-CG1 3.44Å; L85-I90 PolarHBondContact O-N 3.07Å; L85-L212 HydrophobicContact CD1-CB 4.06Å; L85-L212 HydrophobicContact CD1-CD1 4.1Å; L85-L212 HydrophobicContact CD2-CD1 4.12Å; L85-L212 HydrophobicContact CG-CD1 4.48Å
86I91.7Very high92.3Very high70 Ų7059 Ų5936%0.35929%0.294SS..Iπ-helixtrans-70.7-53.4179.6-68.7166.4000110.5H82 Y83 I84 I90 T91H82-I86 WeakPolarHBondContact O-CB 3.35Å; H82-I86 VanDerWaalsContact O-CG1 3.3Å; H82-I86 WeakPolarHBondContact O-CG1 3.42Å; H82-I86 PolarHBondContact O-N 3.37Å; Y83-I86 PolarHBondContact O-N 3.08Å; I84-I86 VanDerWaalsContact C-N 3.32Å; I84-I86 PolarHBondContact O-N 3.29Å; I86-I90 HydrophobicContact CG1-CD1 4.17Å; I86-T91 WeakPolarHBondContact O-CG2 3.32Å; I86-T91 PolarHBondContact O-N 3.41Å
87M92Very high92Very high96 Ų9656.6 Ų56.647%0.47328%0.277SS..Iπ-helixtrans-74.9-35.2-169.8-67.3-59.9175.200113.8Y83 I84 T91Y83-M87 HydrophobicContact CD2-CE 4.45Å; Y83-M87 HydrophobicContact CD2-CG 3.93Å; Y83-M87 HydrophobicContact CE1-CG 4.41Å; Y83-M87 HydrophobicContact CE2-CE 4.03Å; Y83-M87 HydrophobicContact CE2-CG 3.56Å; Y83-M87 WeakPolarHBondContact O-CB 3.44Å; Y83-M87 WeakPolarHBondContact O-CG 3.5Å; Y83-M87 PolarHBondContact O-N 2.99Å; I84-M87 PolarHBondContact O-N 3.28Å; M87-T91 WeakPolarHBondContact O-CG2 3.4Å; M87-T91 PolarHBondContact O-OG1 2.75Å
88D93.6Very high91.5Very high19 Ų1960.4 Ų60.410%0.10228%0.28CS..Iπ-helixtrans-107.4-29-172.1-58.1-23.5000112.9I84 V92 R256 V257I84-D88 HydrophobicContact CG2-CB 4.34Å; I84-D88 VanDerWaalsContact O-CB 3.31Å; I84-D88 WeakPolarHBondContact O-CB 3.48Å; I84-D88 PolarHBondContact O-N 2.62Å; D88-V92 VanDerWaalsContact O-CG2 3.31Å; D88-V92 WeakPolarHBondContact O-CG2 3.24Å; D88-R256 IonicContact OD1-CZ 2.69Å; D88-R256 IonicContact OD1-NE 2.8Å; D88-R256 IonicContact OD1-NH2 2.86Å; D88-R256 PolarHBondContact OD1-NH2 2.84Å; D88-R256 IonicContact OD2-CZ 3.86Å; D88-R256 VanDerWaalsContact OD2-CZ 3.23Å; D88-R256 IonicContact OD2-NE 3.8Å; D88-R256 PolarHBondContact OD2-NE 2.97Å; D88-R256 IonicContact OD2-NH2 3.6Å; D88-R256 PolarHBondContact OD2-NH2 2.88Å; D88-V257 HydrophobicContact CB-CG2 3.7Å
89V94.5Very high91.1Very high0 Ų065.6 Ų65.60%031%0.307CS..Iπ-helixtrans-101.5-57.2-174.8-174.60000110.9L85 T91 V92 L93 L212 M216 V257 M260L85-V89 HydrophobicContact CD1-CB 4Å; L85-V89 HydrophobicContact CD1-CG1 4.09Å; L85-V89 HydrophobicContact CD1-CG2 4.18Å; L85-V89 CarbonylContact O-C 3.19Å; L85-V89 WeakPolarHBondContact O-CA 3.22Å; L85-V89 VanDerWaalsContact O-CB 3.26Å; L85-V89 WeakPolarHBondContact O-CB 3.13Å; L85-V89 PolarHBondContact O-N 3.25Å; V89-T91 PolarHBondContact O-N 3.38Å; V89-V92 PolarHBondContact O-N 2.85Å; V89-L93 HydrophobicContact CG1-CD1 4.03Å; V89-L93 HydrophobicContact CG1-CG 4.37Å; V89-L93 VanDerWaalsContact O-CG 3.31Å; V89-L93 WeakPolarHBondContact O-CG 3.47Å; V89-L93 PolarHBondContact O-N 3.04Å; V89-L212 HydrophobicContact CG1-CB 4.19Å; V89-L212 WeakPolarHBondContact CG1-O 3.36Å; V89-M216 HydrophobicContact CG1-CB 3.67Å; V89-M216 HydrophobicContact CG1-CG 4.13Å; V89-M216 HydrophobicContact CG2-CE 4.16Å; V89-V257 HydrophobicContact CG2-CG1 4.31Å; V89-V257 HydrophobicContact CG2-CG2 4.13Å; V89-M260 HydrophobicContact CG2-CE 4.39Å
90I92.4Very high90.7Very high18 Ų1864.4 Ų64.49%0.09229%0.294CS..Iπ-helixtrans-67.6-38.1-174.1-67.4171.2000111.6L85 I86 V92 L93 Y94 L103L85-I90 HydrophobicContact CD2-CD1 4.5Å; L85-I90 HydrophobicContact CG-CD1 4.24Å; L85-I90 HydrophobicContact CG-CG1 4.46Å; L85-I90 WeakPolarHBondContact O-CG1 3.44Å; L85-I90 PolarHBondContact O-N 3.07Å; I86-I90 HydrophobicContact CG1-CD1 4.17Å; I90-V92 VanDerWaalsContact C-N 3.33Å; I90-V92 PolarHBondContact O-N 3.34Å; I90-L93 PolarHBondContact O-N 3.06Å; I90-Y94 WeakPolarHBondContact O-CB 3.5Å; I90-Y94 PolarHBondContact O-N 2.91Å; I90-L103 HydrophobicContact CD1-CD1 3.72Å; I90-L103 HydrophobicContact CG2-CB 4.25Å; I90-L103 HydrophobicContact CG2-CD1 4.34Å
91T92.1Very high90.1Very high73 Ų7363.3 Ų63.345%0.44830%0.295SS..Hα-helixtrans-55.4-46.9174.2500000112.1I86 M87 V89 Y94 R95I86-T91 WeakPolarHBondContact O-CG2 3.32Å; I86-T91 PolarHBondContact O-N 3.41Å; M87-T91 WeakPolarHBondContact O-CG2 3.4Å; M87-T91 PolarHBondContact O-OG1 2.75Å; V89-T91 PolarHBondContact O-N 3.38Å; T91-Y94 PolarHBondContact O-N 3.26Å; T91-R95 PolarHBondContact O-N 3.49Å
92V92.7Very high89.6Confident21 Ų2163.2 Ų63.213%0.12729%0.289CS..Hα-helixtrans-70.1-41.9178.4-179.60000110.9D88 V89 I90 Y94 R95 Y96 M216 F254D88-V92 VanDerWaalsContact O-CG2 3.31Å; D88-V92 WeakPolarHBondContact O-CG2 3.24Å; V89-V92 PolarHBondContact O-N 2.85Å; I90-V92 VanDerWaalsContact C-N 3.33Å; I90-V92 PolarHBondContact O-N 3.34Å; V92-Y94 VanDerWaalsContact C-N 3.29Å; V92-Y94 PolarHBondContact O-N 3.45Å; V92-R95 WeakPolarHBondContact O-CB 3.3Å; V92-R95 PolarHBondContact O-N 2.92Å; V92-Y96 HydrophobicContact CG1-CD2 3.72Å; V92-Y96 HydrophobicContact CG1-CE2 3.41Å; V92-Y96 VanDerWaalsContact CG1-CE2 3.41Å; V92-Y96 VanDerWaalsContact O-CD2 3.31Å; V92-Y96 WeakPolarHBondContact O-CD2 3.34Å; V92-Y96 PolarHBondContact O-N 3.49Å; V92-M216 HydrophobicContact CB-CG 3.72Å; V92-M216 HydrophobicContact CB-SD 4.11Å; V92-M216 HydrophobicContact CG1-CG 3.7Å; V92-M216 HydrophobicContact CG1-SD 3.82Å; V92-M216 HydrophobicContact CG2-SD 4.48Å; V92-F254 HydrophobicContact CG2-CE1 4.42Å
93L93.1Very high89.4Confident3 Ų365.7 Ų65.72%0.01630%0.303CS..Hα-helixtrans-60.7-38.1175.1-73.1-177.7000112.5V89 I90 R95 Y96 S97 L212 R215 M216 L219V89-L93 HydrophobicContact CG1-CD1 4.03Å; V89-L93 HydrophobicContact CG1-CG 4.37Å; V89-L93 VanDerWaalsContact O-CG 3.31Å; V89-L93 WeakPolarHBondContact O-CG 3.47Å; V89-L93 PolarHBondContact O-N 3.04Å; I90-L93 PolarHBondContact O-N 3.06Å; L93-R95 VanDerWaalsContact C-N 3.32Å; L93-Y96 PolarHBondContact O-N 3.2Å; L93-S97 CarbonylContact O-C 3.44Å; L93-S97 WeakPolarHBondContact O-CA 3.47Å; L93-S97 PolarHBondContact O-N 2.94Å; L93-S97 PolarHBondContact O-OG 3.1Å; L93-L212 HydrophobicContact CD1-CB 4.42Å; L93-L212 HydrophobicContact CD1-CD2 3.79Å; L93-R215 HydrophobicContact CD2-CG 4.25Å; L93-M216 HydrophobicContact CD2-CB 3.7Å; L93-M216 HydrophobicContact CD2-CG 4.23Å; L93-M216 HydrophobicContact CG-CB 3.89Å; L93-M216 HydrophobicContact CG-CG 4.22Å; L93-L219 HydrophobicContact CD2-CD1 3.87Å
94Y91.9Very high89.2Confident136 Ų13666.8 Ų66.853%0.53331%0.311SS..Hα-helixtrans-71.4-30.9178.5-152.6-110.9000111.8I90 T91 V92 W98I90-Y94 WeakPolarHBondContact O-CB 3.5Å; I90-Y94 PolarHBondContact O-N 2.91Å; T91-Y94 PolarHBondContact O-N 3.26Å; V92-Y94 VanDerWaalsContact C-N 3.29Å; V92-Y94 PolarHBondContact O-N 3.45Å; Y94-W98 HydrophobicContact CE2-CB 4.43Å; Y94-W98 WeakPolarHBondContact CE2-O 3.11Å; Y94-W98 WeakPolarHBondContact O-CA 3.31Å; Y94-W98 WeakPolarHBondContact O-CB 3.5Å; Y94-W98 PolarHBondContact O-N 3.09Å
95R91.5Very high89Confident187 Ų18771 Ų7171%0.70633%0.333SS*.Hα-helixtrans-62.7-41.7172.4-176178.2178.7-171.8-5.3112.5T91 V92 L93T91-R95 PolarHBondContact O-N 3.49Å; V92-R95 WeakPolarHBondContact O-CB 3.3Å; V92-R95 PolarHBondContact O-N 2.92Å; L93-R95 VanDerWaalsContact C-N 3.32Å
96Y90.9Very high88.8Confident32 Ų3270.8 Ų70.813%0.12533%0.332CS..Hα-helixtrans-96.7-25.8-175.2-61.5-52.6000114.3V92 L93 L219 F220 H223 E224V92-Y96 HydrophobicContact CG1-CD2 3.72Å; V92-Y96 HydrophobicContact CG1-CE2 3.41Å; V92-Y96 VanDerWaalsContact CG1-CE2 3.41Å; V92-Y96 VanDerWaalsContact O-CD2 3.31Å; V92-Y96 WeakPolarHBondContact O-CD2 3.34Å; V92-Y96 PolarHBondContact O-N 3.49Å; L93-Y96 PolarHBondContact O-N 3.2Å; Y96-L219 HydrophobicContact CD2-CB 4.24Å; Y96-F220 HydrophobicContact CE2-CB 4.27Å; Y96-F220 HydrophobicContact CE2-CD2 4.14Å; Y96-F220 WeakPolarHBondContact OH-CD2 3.24Å; Y96-H223 HydrophobicContact CD1-CB 3.59Å; Y96-H223 AromaticContact CD1-CD2 3.42Å; Y96-H223 VanDerWaalsContact CD1-CD2 3.42Å; Y96-H223 WeakPolarHBondContact CD1-CD2 3.21Å; Y96-H223 AromaticContact CD1-CG 3.33Å; Y96-H223 AromaticContact CD1-ND1 3.83Å; Y96-H223 AromaticContact CD1-NE2 3.97Å; Y96-H223 HydrophobicContact CE1-CB 3.35Å; Y96-H223 AromaticContact CE1-CG 3.68Å; Y96-H223 HydrophobicContact CG-CB 4.34Å; Y96-H223 AromaticContact CG-CD2 3.55Å; Y96-H223 AromaticContact CG-CG 3.96Å; Y96-E224 PolarHBondContact OH-OE1 2.9Å
97S86.4Confident88.7Confident15 Ų1569.9 Ų69.911%0.10533%0.332CS..  trans-141.755.3-172.955.30000112L93 L99 E100 R215L93-S97 CarbonylContact O-C 3.44Å; L93-S97 WeakPolarHBondContact O-CA 3.47Å; L93-S97 PolarHBondContact O-N 2.94Å; L93-S97 PolarHBondContact O-OG 3.1Å; S97-L99 PolarHBondContact O-N 3.13Å; S97-L99 VanDerWaalsContact O-N 3.13Å; S97-E100 PolarHBondContact O-N 3.1Å; S97-R215 PolarHBondContact OG-NH1 2.89Å; S97-R215 PolarHBondContact OG-NH2 2.65Å
98W82Confident88.7Confident164 Ų16467 Ų6762%0.62133%0.327SS*.THydrogen-bonded Turntrans-57.7-25.3-175.871.5-83.8000115.1Y94 E100Y94-W98 HydrophobicContact CE2-CB 4.43Å; Y94-W98 WeakPolarHBondContact CE2-O 3.11Å; Y94-W98 WeakPolarHBondContact O-CA 3.31Å; Y94-W98 WeakPolarHBondContact O-CB 3.5Å; Y94-W98 PolarHBondContact O-N 3.09Å; W98-E100 VanDerWaalsContact C-N 3.29Å; W98-E100 PolarHBondContact O-N 3.49Å
99L82.4Confident88.6Confident131 Ų13167.4 Ų67.469%0.68633%0.331SS*.THydrogen-bonded Turntrans-71.9-22.8176.9-70.3170.4000112.9S97 N101S97-L99 PolarHBondContact O-N 3.13Å; S97-L99 VanDerWaalsContact O-N 3.13Å; L99-N101 PolarHBondContact O-N 3.49Å
100E82.2Confident88.5Confident80 Ų8070 Ų7037%0.37435%0.345SS..SBendtrans-88.3112.2180-66.7-174.4-161.300111.2S97 W98 N102 R215S97-E100 PolarHBondContact O-N 3.1Å; W98-E100 VanDerWaalsContact C-N 3.29Å; W98-E100 PolarHBondContact O-N 3.49Å; E100-N102 WeakPolarHBondContact CB-ND2 3.48Å; E100-N102 PolarHBondContact O-N 2.76Å; E100-N102 PolarHBondContact OE2-ND2 3.09Å; E100-R215 VanDerWaalsContact CD-CZ 3.44Å; E100-R215 IonicContact OE1-CZ 3.9Å; E100-R215 IonicContact OE1-NE 3.56Å; E100-R215 IonicContact OE1-NH2 2.74Å; E100-R215 PolarHBondContact OE1-NH2 3.08Å; E100-R215 IonicContact OE2-CZ 3.16Å; E100-R215 IonicContact OE2-NE 3.46Å; E100-R215 PolarHBondContact OE2-NE 3.32Å; E100-R215 VanDerWaalsContact OE2-NE 3.16Å; E100-R215 IonicContact OE2-NH1 2.68Å; E100-R215 PolarHBondContact OE2-NH1 3.47Å; E100-R215 IonicContact OE2-NH2 3.24Å; E100-R215 PolarHBondContact OE2-NH2 2.9Å
101N80.3Confident88.6Confident104 Ų10476.4 Ų76.456%0.55637%0.372SS*.  trans-77.757.7-179.7-83-28000113.1L99 L103 F104L99-N101 PolarHBondContact O-N 3.49Å; N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 PolarHBondContact O-N 3.15Å; N101-F104 HydrophobicContact CB-CD2 4.05Å
102N83.4Confident88.8Confident16 Ų1677.6 Ų77.69%0.08638%0.375CS..Hα-helixtrans-66.2-23.5-177.9-73.8-50.3000113.7E100 G106 W211 L212E100-N102 WeakPolarHBondContact CB-ND2 3.48Å; E100-N102 PolarHBondContact O-N 2.76Å; E100-N102 PolarHBondContact OE2-ND2 3.09Å; N102-G106 PolarHBondContact O-N 3.17Å; N102-W211 WeakPolarHBondContact OD1-CZ3 3.49Å; N102-L212 HydrophobicContact CB-CD2 3.74Å
103L86Confident89Confident75 Ų7576.6 Ų76.639%0.39337%0.369SS..Hα-helixtrans-64.4-40.1-179.9178.462.1000112.9I90 N101 S107I90-L103 HydrophobicContact CD1-CD1 3.72Å; I90-L103 HydrophobicContact CG2-CB 4.25Å; I90-L103 HydrophobicContact CG2-CD1 4.34Å; N101-L103 VanDerWaalsContact C-N 3.26Å; N101-L103 PolarHBondContact O-N 3.15Å; L103-S107 VanDerWaalsContact O-CB 3.27Å; L103-S107 WeakPolarHBondContact O-CB 3.24Å; L103-S107 PolarHBondContact O-N 3.02Å; L103-S107 PolarHBondContact O-OG 2.83Å
104F87.4Confident89.1Confident150 Ų15077.6 Ų77.666%0.65838%0.38SS*.Hα-helixtrans-69.8-39.8-176.9-71.5-74.1000112.2N101 G108N101-F104 HydrophobicContact CB-CD2 4.05Å; F104-G108 WeakPolarHBondContact O-CA 3.21Å; F104-G108 PolarHBondContact O-N 3.47Å
105L88.5Confident89.4Confident95 Ų9574 Ų7450%0.49737%0.372SS..Hα-helixtrans-64.8-48.9177.8-178.959.6000110.9G108 C109 N208L105-G108 PolarHBondContact O-N 3.38Å; L105-C109 WeakPolarHBondContact O-CB 3.41Å; L105-C109 PolarHBondContact O-N 3.07Å; L105-C109 PolarHBondContact O-SG 3.5Å; L105-N208 VanDerWaalsContact CD2-OD1 3.24Å; L105-N208 WeakPolarHBondContact CD2-OD1 3.31Å
106G88.6Confident89.7Confident2 Ų266 Ų662%0.02134%0.343CS..Hα-helixtrans-59-49.9176.800000112.7N102 G108 C109 L110N102-G106 PolarHBondContact O-N 3.17Å; G106-G108 VanDerWaalsContact C-N 3.35Å; G106-G108 PolarHBondContact O-N 3.38Å; G106-C109 PolarHBondContact O-N 3.13Å; G106-L110 PolarHBondContact O-N 3.16Å; G106-L110 VanDerWaalsContact O-N 3.08Å
107S89.9Confident90Very high50 Ų5064.7 Ų64.735%0.3534%0.338SS..Hα-helixtrans-66.3-36.2179.6-53.10000112.4L103 L110 F111L103-S107 VanDerWaalsContact O-CB 3.27Å; L103-S107 WeakPolarHBondContact O-CB 3.24Å; L103-S107 PolarHBondContact O-N 3.02Å; L103-S107 PolarHBondContact O-OG 2.83Å; S107-L110 PolarHBondContact O-N 2.93Å; S107-F111 WeakPolarHBondContact O-CB 3.24Å; S107-F111 PolarHBondContact O-N 3.22Å
108G91.9Very high90.4Very high37 Ų3768.6 Ų68.638%0.38136%0.356SS..Hα-helixtrans-66.5-42.2175.500000112.6F104 L105 G106 F111 L112F104-G108 WeakPolarHBondContact O-CA 3.21Å; F104-G108 PolarHBondContact O-N 3.47Å; L105-G108 PolarHBondContact O-N 3.38Å; G106-G108 VanDerWaalsContact C-N 3.35Å; G106-G108 PolarHBondContact O-N 3.38Å; G108-F111 PolarHBondContact O-N 2.86Å; G108-L112 WeakPolarHBondContact O-CB 3.49Å; G108-L112 PolarHBondContact O-N 2.83Å
109C93Very high91.2Very high27 Ų2765.5 Ų65.518%0.18235%0.351CS..Hα-helixtrans-61.2-43.4173.2-72.80000111.9L105 G106 N113 M205L105-C109 WeakPolarHBondContact O-CB 3.41Å; L105-C109 PolarHBondContact O-N 3.07Å; L105-C109 PolarHBondContact O-SG 3.5Å; G106-C109 PolarHBondContact O-N 3.13Å; C109-N113 WeakPolarHBondContact O-CB 3.11Å; C109-N113 PolarHBondContact O-N 2.82Å; C109-M205 HydrophobicContact CB-CB 4.09Å; C109-M205 HydrophobicContact CB-CG 4.04Å
110L92.7Very high91.9Very high55 Ų5559.3 Ų59.329%0.28832%0.319SS..Hα-helixtrans-59.5-49.9174.3176.359.3000111.5L78 H82 G106 S107 N113 G114 M205L78-L110 HydrophobicContact CB-CD1 4.45Å; L78-L110 HydrophobicContact CD1-CD1 4.48Å; H82-L110 HydrophobicContact CB-CD2 4.22Å; H82-L110 WeakPolarHBondContact NE2-CB 3.43Å; G106-L110 PolarHBondContact O-N 3.16Å; G106-L110 VanDerWaalsContact O-N 3.08Å; S107-L110 PolarHBondContact O-N 2.93Å; L110-N113 PolarHBondContact O-N 3.05Å; L110-G114 PolarHBondContact O-N 2.82Å; L110-M205 HydrophobicContact CD1-SD 4.43Å
111F93.9Very high92.5Very high152 Ų15256.4 Ų56.467%0.66731%0.307SS*.Hα-helixtrans-61.7-48.9-177.8179.9-102.1000111.4S107 G108 N113 G114 V115S107-F111 WeakPolarHBondContact O-CB 3.24Å; S107-F111 PolarHBondContact O-N 3.22Å; G108-F111 PolarHBondContact O-N 2.86Å; F111-N113 PolarHBondContact O-N 3Å; F111-G114 PolarHBondContact O-N 2.99Å; F111-V115 HydrophobicContact CD1-CG2 4.37Å; F111-V115 HydrophobicContact CE1-CG2 3.98Å; F111-V115 HydrophobicContact CE2-CG2 4.13Å; F111-V115 HydrophobicContact CZ-CG2 3.85Å; F111-V115 WeakPolarHBondContact O-CG2 3.4Å; F111-V115 PolarHBondContact O-N 2.78Å
112L95.7Very high93.2Very high98 Ų9859.1 Ų59.151%0.51331%0.314SS..Hα-helixtrans-59.2-47.1177.1176.962.3000111.6G108 G114 V115 L116G108-L112 WeakPolarHBondContact O-CB 3.49Å; G108-L112 PolarHBondContact O-N 2.83Å; L112-G114 VanDerWaalsContact C-N 3.35Å; L112-G114 PolarHBondContact O-N 3.4Å; L112-V115 PolarHBondContact O-N 2.75Å; L112-L116 HydrophobicContact CD1-CD1 4.03Å; L112-L116 HydrophobicContact CD1-CG 4.27Å; L112-L116 HydrophobicContact CG-CD1 4Å; L112-L116 WeakPolarHBondContact O-CB 3.49Å; L112-L116 VanDerWaalsContact O-CG 3.31Å; L112-L116 WeakPolarHBondContact O-CG 2.93Å; L112-L116 PolarHBondContact O-N 2.85Å
113N96.8Very high93.7Very high0 Ų059.5 Ų59.50%032%0.318CS..Hα-helixtrans-63.6-41.3179-176.6-110.5000111.7Y74 C109 L110 F111 L116 Y117 S201 L202 M205Y74-N113 PolarHBondContact OH-OD1 2.76Å; C109-N113 WeakPolarHBondContact O-CB 3.11Å; C109-N113 PolarHBondContact O-N 2.82Å; L110-N113 PolarHBondContact O-N 3.05Å; F111-N113 PolarHBondContact O-N 3Å; N113-L116 PolarHBondContact O-N 3.22Å; N113-Y117 VanDerWaalsContact O-CB 3.28Å; N113-Y117 WeakPolarHBondContact O-CB 3.25Å; N113-Y117 PolarHBondContact O-N 2.82Å; N113-S201 PolarHBondContact ND2-OG 3.34Å; N113-L202 PolarHBondContact ND2-N 3.42Å; N113-M205 HydrophobicContact CB-CE 4.39Å; N113-M205 HydrophobicContact CB-SD 3.85Å; N113-M205 WeakPolarHBondContact OD1-CE 3.32Å
114G95.7Very high94.1Very high24 Ų2459.3 Ų59.325%0.24732%0.317CS..Hα-helixtrans-62.8-43.417600000112.8L110 F111 L112 Y117 M118L110-G114 PolarHBondContact O-N 2.82Å; F111-G114 PolarHBondContact O-N 2.99Å; L112-G114 VanDerWaalsContact C-N 3.35Å; L112-G114 PolarHBondContact O-N 3.4Å; G114-Y117 PolarHBondContact O-N 3.24Å; G114-M118 WeakPolarHBondContact O-CB 3.28Å; G114-M118 VanDerWaalsContact O-CG 3.28Å; G114-M118 WeakPolarHBondContact O-CG 3.46Å; G114-M118 PolarHBondContact O-N 2.92Å
115V97.1Very high94.5Very high59 Ų5952.1 Ų52.136%0.35829%0.286SS..Hα-helixtrans-62.4-48.5174.6171.20000110.6F111 L112 Y117 M118 L119F111-V115 HydrophobicContact CD1-CG2 4.37Å; F111-V115 HydrophobicContact CE1-CG2 3.98Å; F111-V115 HydrophobicContact CE2-CG2 4.13Å; F111-V115 HydrophobicContact CZ-CG2 3.85Å; F111-V115 WeakPolarHBondContact O-CG2 3.4Å; F111-V115 PolarHBondContact O-N 2.78Å; L112-V115 PolarHBondContact O-N 2.75Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.32Å; V115-M118 PolarHBondContact O-N 2.9Å; V115-L119 HydrophobicContact CG1-CD1 3.88Å; V115-L119 HydrophobicContact CG1-CG 4.29Å; V115-L119 WeakPolarHBondContact O-CB 3.21Å; V115-L119 VanDerWaalsContact O-CG 3.25Å; V115-L119 WeakPolarHBondContact O-CG 3.47Å; V115-L119 PolarHBondContact O-N 2.92Å
116L97.9Very high94.8Very high20 Ų2047.6 Ų47.611%0.10526%0.262CS..Hα-helixtrans-61.5-39.9177.9-71.2169.3000112.2L112 N113 L120 L194 T197 F198 S201L112-L116 HydrophobicContact CD1-CD1 4.03Å; L112-L116 HydrophobicContact CD1-CG 4.27Å; L112-L116 HydrophobicContact CG-CD1 4Å; L112-L116 WeakPolarHBondContact O-CB 3.49Å; L112-L116 VanDerWaalsContact O-CG 3.31Å; L112-L116 WeakPolarHBondContact O-CG 2.93Å; L112-L116 PolarHBondContact O-N 2.85Å; N113-L116 PolarHBondContact O-N 3.22Å; L116-L120 VanDerWaalsContact O-CB 3.26Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 PolarHBondContact O-N 3.14Å; L116-L194 HydrophobicContact CD2-CD1 3.85Å; L116-T197 HydrophobicContact CD1-CG2 4.09Å; L116-T197 HydrophobicContact CD2-CG2 3.96Å; L116-F198 HydrophobicContact CB-CB 4.29Å; L116-F198 HydrophobicContact CB-CD2 4.41Å; L116-S201 WeakPolarHBondContact CD1-OG 3.48Å
117Y97.5Very high95.2Very high4 Ų450.2 Ų50.22%0.01627%0.273CS..Hα-helixtrans-62.4-47.2175.8179-104.9000111.8Q71 Y74 L75 N113 G114 V115 L120 C121 W182 T183 F198Q71-Y117 WeakPolarHBondContact CA-OH 3.37Å; Q71-Y117 VanDerWaalsContact CB-OH 3.29Å; Q71-Y117 WeakPolarHBondContact CB-OH 3.29Å; Q71-Y117 VanDerWaalsContact CG-OH 3.31Å; Q71-Y117 WeakPolarHBondContact CG-OH 3.34Å; Y74-Y117 HydrophobicContact CD1-CD1 4.21Å; Y74-Y117 AromaticContact CD1-CD2 4Å; Y74-Y117 HydrophobicContact CD1-CD2 4Å; Y74-Y117 AromaticContact CD1-CE1 3.8Å; Y74-Y117 HydrophobicContact CD1-CE1 3.8Å; Y74-Y117 AromaticContact CD1-CE2 3.57Å; Y74-Y117 HydrophobicContact CD1-CE2 3.57Å; Y74-Y117 HydrophobicContact CD1-CG 4.29Å; Y74-Y117 AromaticContact CD1-CZ 3.45Å; Y74-Y117 VanDerWaalsContact CD1-CZ 3.45Å; Y74-Y117 AromaticContact CE1-CD1 3.86Å; Y74-Y117 HydrophobicContact CE1-CD1 3.86Å; Y74-Y117 AromaticContact CE1-CD2 3.44Å; Y74-Y117 HydrophobicContact CE1-CD2 3.44Å; Y74-Y117 VanDerWaalsContact CE1-CD2 3.44Å; Y74-Y117 AromaticContact CE1-CE1 3.94Å; Y74-Y117 HydrophobicContact CE1-CE1 3.94Å; Y74-Y117 AromaticContact CE1-CE2 3.53Å; Y74-Y117 HydrophobicContact CE1-CE2 3.53Å; Y74-Y117 AromaticContact CE1-CG 3.6Å; Y74-Y117 HydrophobicContact CE1-CG 3.6Å; Y74-Y117 AromaticContact CE1-CZ 3.77Å; Y74-Y117 HydrophobicContact CG-CE2 4.34Å; L75-Y117 HydrophobicContact CD2-CD1 4.37Å; L75-Y117 HydrophobicContact CD2-CE1 4.2Å; L75-Y117 HydrophobicContact CG-CE1 4.44Å; N113-Y117 VanDerWaalsContact O-CB 3.28Å; N113-Y117 WeakPolarHBondContact O-CB 3.25Å; N113-Y117 PolarHBondContact O-N 2.82Å; G114-Y117 PolarHBondContact O-N 3.24Å; V115-Y117 VanDerWaalsContact C-N 3.32Å; V115-Y117 PolarHBondContact O-N 3.32Å; Y117-L120 PolarHBondContact O-N 3.29Å; Y117-C121 VanDerWaalsContact CZ-SG 3.52Å; Y117-C121 PolarHBondContact O-N 2.69Å; Y117-C121 PolarHBondContact O-SG 3.4Å; Y117-W182 PolarHBondContact OH-O 2.85Å; Y117-T183 HydrophobicContact CD2-CG2 4.26Å; Y117-T183 HydrophobicContact CE2-CG2 3.93Å; Y117-F198 HydrophobicContact CD2-CD2 4.49Å; Y117-F198 AromaticContact CD2-CE2 3.71Å; Y117-F198 HydrophobicContact CD2-CE2 3.71Å; Y117-F198 AromaticContact CD2-CZ 3.78Å; Y117-F198 HydrophobicContact CD2-CZ 3.78Å; Y117-F198 HydrophobicContact CG-CE2 4.21Å
118M96.3Very high95.4Very high97 Ų9748 Ų4848%0.47826%0.258SS..Hα-helixtrans-62.6-49.2177.6-72.7-66.1-80.100111G114 V115 L120 C121 F122G114-M118 WeakPolarHBondContact O-CB 3.28Å; G114-M118 VanDerWaalsContact O-CG 3.28Å; G114-M118 WeakPolarHBondContact O-CG 3.46Å; G114-M118 PolarHBondContact O-N 2.92Å; V115-M118 PolarHBondContact O-N 2.9Å; M118-L120 PolarHBondContact O-N 2.89Å; M118-C121 PolarHBondContact O-N 2.94Å; M118-F122 HydrophobicContact CE-CE2 3.62Å; M118-F122 HydrophobicContact CE-CZ 4.39Å; M118-F122 WeakPolarHBondContact O-CD2 3.31Å; M118-F122 PolarHBondContact O-N 3.36Å; M118-F122 HydrophobicContact SD-CE2 4.12Å
119L97.2Very high95.5Very high100 Ų10049 Ų4952%0.52426%0.256SS..Hα-helixtrans-55.3-40.8175.9-70174.1000111.5V115 S123 L194V115-L119 HydrophobicContact CG1-CD1 3.88Å; V115-L119 HydrophobicContact CG1-CG 4.29Å; V115-L119 WeakPolarHBondContact O-CB 3.21Å; V115-L119 VanDerWaalsContact O-CG 3.25Å; V115-L119 WeakPolarHBondContact O-CG 3.47Å; V115-L119 PolarHBondContact O-N 2.92Å; L119-S123 WeakPolarHBondContact O-CB 3.29Å; L119-S123 PolarHBondContact O-N 3.18Å; L119-L194 HydrophobicContact CB-CD1 4.41Å; L119-L194 HydrophobicContact CB-CD2 3.99Å
120L96.8Very high95.5Very high0 Ų052.5 Ų52.50%028%0.281CS..Hα-helixtrans-68.8-43.3179.1-179.162.6000112.4L116 Y117 M118 F122 S123 T183 I187 N191 L194 F195 F198L116-L120 VanDerWaalsContact O-CB 3.26Å; L116-L120 WeakPolarHBondContact O-CB 3.2Å; L116-L120 PolarHBondContact O-N 3.14Å; Y117-L120 PolarHBondContact O-N 3.29Å; M118-L120 PolarHBondContact O-N 2.89Å; L120-F122 PolarHBondContact O-N 3.18Å; L120-S123 PolarHBondContact O-N 3.25Å; L120-S123 PolarHBondContact O-OG 3.02Å; L120-T183 HydrophobicContact CD2-CG2 3.5Å; L120-T183 VanDerWaalsContact CD2-CG2 3.5Å; L120-T183 HydrophobicContact CG-CG2 3.97Å; L120-I187 HydrophobicContact CD1-CD1 4.07Å; L120-N191 HydrophobicContact CD1-CB 4.38Å; L120-L194 HydrophobicContact CB-CD2 4.13Å; L120-L194 HydrophobicContact CB-CG 4.18Å; L120-L194 HydrophobicContact CD1-CB 4.48Å; L120-L194 HydrophobicContact CD1-CD2 4.32Å; L120-L194 HydrophobicContact CD1-CG 4.18Å; L120-F195 HydrophobicContact CD1-CB 4.08Å; L120-F195 HydrophobicContact CD2-CB 4.43Å; L120-F195 HydrophobicContact CD2-CD2 3.99Å; L120-F198 HydrophobicContact CD2-CB 4.04Å; L120-F198 HydrophobicContact CD2-CD1 3.67Å; L120-F198 HydrophobicContact CD2-CE1 4.37Å; L120-F198 HydrophobicContact CD2-CG 3.91Å
121C95.3Very high95.4Very high19 Ų1960.3 Ų60.313%0.12831%0.307CS..Hα-helixtrans-60-33.8178.4-69.30000112.5Y117 M118Y117-C121 VanDerWaalsContact CZ-SG 3.52Å; Y117-C121 PolarHBondContact O-N 2.69Å; Y117-C121 PolarHBondContact O-SG 3.4Å; M118-C121 PolarHBondContact O-N 2.94Å
122F94.7Very high95.4Very high162 Ų16254 Ų5471%0.71128%0.28SS*.THydrogen-bonded Turntrans-98.82.3179.3-60.7-67.8000114.2M118 L120M118-F122 HydrophobicContact CE-CE2 3.62Å; M118-F122 HydrophobicContact CE-CZ 4.39Å; M118-F122 WeakPolarHBondContact O-CD2 3.31Å; M118-F122 PolarHBondContact O-N 3.36Å; M118-F122 HydrophobicContact SD-CE2 4.12Å; L120-F122 PolarHBondContact O-N 3.18Å
123S94.4Very high95.2Very high24 Ų2453.3 Ų53.317%0.16827%0.273CS..SBendtrans-72.1145.9-179.164.70000112.8L119 L120 P125 N191L119-S123 WeakPolarHBondContact O-CB 3.29Å; L119-S123 PolarHBondContact O-N 3.18Å; L120-S123 PolarHBondContact O-N 3.25Å; L120-S123 PolarHBondContact O-OG 3.02Å; S123-P125 WeakPolarHBondContact O-CD 3.34Å; S123-N191 WeakPolarHBondContact OG-CB 3.49Å; S123-N191 PolarHBondContact OG-ND2 3.19Å
124D95.3Very high94.9Very high70 Ų7056.8 Ų56.837%0.37430%0.297SS..  trans-73.9120.5166.9-172-12000109.1G126 F127 Q190D124-G126 PolarHBondContact O-N 2.95Å; D124-G126 WeakPolarHBondContact OD1-CA 3.35Å; D124-G126 PolarHBondContact OD1-N 3.27Å; D124-F127 WeakPolarHBondContact OD1-CD2 3.26Å; D124-F127 PolarHBondContact OD1-N 3.09Å; D124-Q190 VanDerWaalsContact O-CB 3.26Å; D124-Q190 WeakPolarHBondContact O-CB 3.41Å; D124-Q190 PolarHBondContact OD2-OE1 3.01Å
125P95.7Very high94.7Very high0 Ų058.5 Ų58.50%030%0.302CS..  trans-70.6-11.2173.731.9-39.3000114.3S123 F127 I173 C186 G188 G189 Q190S123-P125 WeakPolarHBondContact O-CD 3.34Å; P125-F127 VanDerWaalsContact CD-CE2 3.41Å; P125-F127 HydrophobicContact CG-CD1 4.26Å; P125-F127 HydrophobicContact CG-CD2 4.04Å; P125-F127 HydrophobicContact CG-CE1 4Å; P125-F127 HydrophobicContact CG-CE2 3.76Å; P125-F127 HydrophobicContact CG-CG 4.28Å; P125-F127 HydrophobicContact CG-CZ 3.73Å; P125-I173 HydrophobicContact CB-CG2 3.91Å; P125-I173 HydrophobicContact CG-CD1 3.96Å; P125-I173 HydrophobicContact CG-CG2 4.33Å; P125-C186 HydrophobicContact CB-CB 3.82Å; P125-C186 VanDerWaalsContact CB-O 3.29Å; P125-C186 WeakPolarHBondContact CB-O 3.45Å; P125-C186 HydrophobicContact CG-CB 3.9Å; P125-G188 CarbonylContact O-C 3.6Å; P125-G188 VanDerWaalsContact O-CA 3.26Å; P125-G188 WeakPolarHBondContact O-CA 3.34Å; P125-G189 PolarHBondContact O-N 2.68Å; P125-Q190 PolarHBondContact O-N 3.31Å
126G94.7Very high94.6Very high0 Ų056.1 Ų56.10%029%0.287CS..  trans104.453.4-16900000111D124 I128 F174D124-G126 PolarHBondContact O-N 2.95Å; D124-G126 WeakPolarHBondContact OD1-CA 3.35Å; D124-G126 PolarHBondContact OD1-N 3.27Å; G126-I128 PolarHBondContact O-N 3.27Å; G126-F174 WeakPolarHBondContact O-CB 3.12Å; G126-F174 PolarHBondContact O-N 3.21Å
127F96Very high94.3Very high56 Ų5657.1 Ų57.125%0.24630%0.298CS..BIsolated β-bridgetrans-59128.7174.7-70-66.4000111.3D124 P125 T129 N132 C169 H171 I173D124-F127 WeakPolarHBondContact OD1-CD2 3.26Å; D124-F127 PolarHBondContact OD1-N 3.09Å; P125-F127 VanDerWaalsContact CD-CE2 3.41Å; P125-F127 HydrophobicContact CG-CD1 4.26Å; P125-F127 HydrophobicContact CG-CD2 4.04Å; P125-F127 HydrophobicContact CG-CE1 4Å; P125-F127 HydrophobicContact CG-CE2 3.76Å; P125-F127 HydrophobicContact CG-CG 4.28Å; P125-F127 HydrophobicContact CG-CZ 3.73Å; F127-T129 PolarHBondContact O-N 3.23Å; F127-N132 PolarHBondContact O-ND2 3.24Å; F127-C169 HydrophobicContact CE1-CB 4.23Å; F127-H171 HydrophobicContact CD1-CB 3.46Å; F127-H171 VanDerWaalsContact CD1-CB 3.46Å; F127-H171 AromaticContact CD1-CG 3.75Å; F127-H171 HydrophobicContact CE1-CB 3.81Å; F127-I173 HydrophobicContact CD1-CD1 3.42Å; F127-I173 VanDerWaalsContact CD1-CD1 3.42Å; F127-I173 HydrophobicContact CE1-CD1 3.49Å; F127-I173 VanDerWaalsContact CE1-CD1 3.49Å; F127-I173 HydrophobicContact CG-CD1 4.42Å
128I95.6Very high94Very high5 Ų563.6 Ų63.63%0.02633%0.333CS..  trans-86.6111.4176-54.1-176.3000108.2G126 N132 K133 Y136 P160 C172 F174G126-I128 PolarHBondContact O-N 3.27Å; I128-N132 WeakPolarHBondContact CA-OD1 3.18Å; I128-K133 HydrophobicContact CG2-CB 3.89Å; I128-Y136 HydrophobicContact CB-CD2 4.37Å; I128-Y136 HydrophobicContact CD1-CD2 4.44Å; I128-Y136 HydrophobicContact CG1-CD2 3.79Å; I128-Y136 HydrophobicContact CG1-CE2 4.18Å; I128-Y136 HydrophobicContact CG2-CD2 4.32Å; I128-P160 HydrophobicContact CD1-CG 3.9Å; I128-C172 HydrophobicContact CB-CB 3.96Å; I128-C172 HydrophobicContact CD1-CB 4.04Å; I128-C172 HydrophobicContact CG1-CB 4.24Å; I128-C172 WeakPolarHBondContact CG1-O 3.43Å; I128-C172 PolarHBondContact N-O 3.21Å; I128-F174 HydrophobicContact CD1-CB 4.3Å; I128-F174 HydrophobicContact CG1-CB 4.16Å
129T93.6Very high93.8Very high58 Ų5860.5 Ų60.536%0.35632%0.318SS..  trans-112.6167.717968.70000110F127 R131 N132 K133F127-T129 PolarHBondContact O-N 3.23Å; T129-R131 PolarHBondContact O-N 3.46Å; T129-R131 PolarHBondContact OG1-N 2.95Å; T129-N132 PolarHBondContact N-OD1 2.78Å; T129-N132 PolarHBondContact O-N 3.19Å; T129-N132 PolarHBondContact O-OD1 2.72Å; T129-N132 VanDerWaalsContact O-OD1 3.11Å; T129-N132 PolarHBondContact OG1-ND2 2.52Å; T129-N132 PolarHBondContact OG1-OD1 3.41Å; T129-K133 WeakPolarHBondContact O-CB 3.16Å; T129-K133 PolarHBondContact O-N 2.86Å
130S91.8Very high93.6Very high99 Ų9956.4 Ų56.469%0.69230%0.296SS*.THydrogen-bonded Turntrans-56.3-22.8173.7-66.20000114.1
131R91.5Very high93.4Very high220 Ų22063.8 Ų63.883%0.8333%0.33SS*.THydrogen-bonded Turntrans-81.5-38.8-178.7-61.6179.9-175.6166.11113T129T129-R131 PolarHBondContact O-N 3.46Å; T129-R131 PolarHBondContact OG1-N 2.95Å
132N93.2Very high93.4Very high19 Ų1965.4 Ų65.410%0.10233%0.334CS..THydrogen-bonded Turntrans-105.4-8.5-173.764.320.4000113.8F127 I128 T129 S134 V135 Y136F127-N132 PolarHBondContact O-ND2 3.24Å; I128-N132 WeakPolarHBondContact CA-OD1 3.18Å; T129-N132 PolarHBondContact N-OD1 2.78Å; T129-N132 PolarHBondContact O-N 3.19Å; T129-N132 PolarHBondContact O-OD1 2.72Å; T129-N132 VanDerWaalsContact O-OD1 3.11Å; T129-N132 PolarHBondContact OG1-ND2 2.52Å; T129-N132 PolarHBondContact OG1-OD1 3.41Å; N132-S134 VanDerWaalsContact C-N 3.26Å; N132-S134 PolarHBondContact O-N 2.97Å; N132-V135 WeakPolarHBondContact O-CB 3.46Å; N132-V135 PolarHBondContact O-N 3.3Å; N132-Y136 HydrophobicContact CB-CD2 4.18Å; N132-Y136 HydrophobicContact CB-CE2 3.94Å; N132-Y136 WeakPolarHBondContact ND2-CE2 3.5Å; N132-Y136 PolarHBondContact O-N 2.92Å; N132-Y136 WeakPolarHBondContact OD1-CE2 3.22Å
133K92Very high93.2Very high84 Ų8458.6 Ų58.637%0.36531%0.305SS..Hα-helixtrans-54-37.7-178.364.9179.8177.4-1750114.2I128 T129 A137 H157I128-K133 HydrophobicContact CG2-CB 3.89Å; T129-K133 WeakPolarHBondContact O-CB 3.16Å; T129-K133 PolarHBondContact O-N 2.86Å; K133-A137 VanDerWaalsContact O-CB 3.27Å; K133-A137 WeakPolarHBondContact O-CB 3.17Å; K133-A137 PolarHBondContact O-N 2.89Å; K133-H157 HydrophobicContact CD-CB 4.32Å
134S91.3Very high93Very high73 Ų7362.5 Ų62.551%0.5132%0.324SS..Hα-helixtrans-70.2-33.1178.7540000112.3N132 N138N132-S134 VanDerWaalsContact C-N 3.26Å; N132-S134 PolarHBondContact O-N 2.97Å; S134-N138 PolarHBondContact O-ND2 3.39Å
135V91Very high92.8Very high59 Ų5961.1 Ų61.136%0.35832%0.315SS..Hα-helixtrans-68.9-52.8175.2-179.90000109.1N132 A137 N138 I139 Y396N132-V135 WeakPolarHBondContact O-CB 3.46Å; N132-V135 PolarHBondContact O-N 3.3Å; V135-A137 VanDerWaalsContact C-N 3.29Å; V135-A137 PolarHBondContact O-N 3.43Å; V135-N138 PolarHBondContact O-N 3.04Å; V135-N138 VanDerWaalsContact O-N 3.15Å; V135-I139 WeakPolarHBondContact O-CG1 3.41Å; V135-Y396 HydrophobicContact CG1-CD1 4.06Å; V135-Y396 HydrophobicContact CG1-CE1 4.29Å
136Y93.7Very high92.6Very high10 Ų1061.8 Ų61.84%0.03932%0.318CS..Hα-helixtrans-63.1-32.5-179-67.5-39.7000113.8I128 N132 N138 I139 F174 Q190I128-Y136 HydrophobicContact CB-CD2 4.37Å; I128-Y136 HydrophobicContact CD1-CD2 4.44Å; I128-Y136 HydrophobicContact CG1-CD2 3.79Å; I128-Y136 HydrophobicContact CG1-CE2 4.18Å; I128-Y136 HydrophobicContact CG2-CD2 4.32Å; N132-Y136 HydrophobicContact CB-CD2 4.18Å; N132-Y136 HydrophobicContact CB-CE2 3.94Å; N132-Y136 WeakPolarHBondContact ND2-CE2 3.5Å; N132-Y136 PolarHBondContact O-N 2.92Å; N132-Y136 WeakPolarHBondContact OD1-CE2 3.22Å; Y136-N138 PolarHBondContact O-N 2.77Å; Y136-N138 VanDerWaalsContact O-N 3.14Å; Y136-I139 HydrophobicContact CD1-CD1 3.63Å; Y136-I139 HydrophobicContact CE1-CD1 4.26Å; Y136-I139 PolarHBondContact O-N 2.77Å; Y136-F174 HydrophobicContact CD1-CB 4.23Å; Y136-F174 AromaticContact CD1-CD1 3.97Å; Y136-F174 HydrophobicContact CD1-CD1 3.97Å; Y136-F174 AromaticContact CD1-CD2 3.59Å; Y136-F174 HydrophobicContact CD1-CD2 3.59Å; Y136-F174 HydrophobicContact CD1-CE1 4.23Å; Y136-F174 AromaticContact CD1-CE2 3.88Å; Y136-F174 HydrophobicContact CD1-CE2 3.88Å; Y136-F174 AromaticContact CD1-CG 3.64Å; Y136-F174 HydrophobicContact CD1-CG 3.64Å; Y136-F174 HydrophobicContact CD1-CZ 4.19Å; Y136-F174 HydrophobicContact CD2-CB 4.22Å; Y136-F174 HydrophobicContact CD2-CG 4.47Å; Y136-F174 HydrophobicContact CE1-CB 4.17Å; Y136-F174 AromaticContact CE1-CD1 3.73Å; Y136-F174 HydrophobicContact CE1-CD1 3.73Å; Y136-F174 HydrophobicContact CE1-CD2 4.18Å; Y136-F174 HydrophobicContact CE1-CE1 4.15Å; Y136-F174 AromaticContact CE1-CG 3.75Å; Y136-F174 HydrophobicContact CE1-CG 3.75Å; Y136-F174 HydrophobicContact CE2-CB 4.1Å; Y136-F174 HydrophobicContact CG-CB 4.27Å; Y136-F174 AromaticContact CG-CD2 3.82Å; Y136-F174 HydrophobicContact CG-CD2 3.82Å; Y136-F174 HydrophobicContact CG-CE2 4.39Å; Y136-F174 HydrophobicContact CG-CG 4.04Å; Y136-Q190 PolarHBondContact OH-NE2 2.89Å
137A92.7Very high92.6Very high41 Ų4162.5 Ų62.534%0.33932%0.321SS..THydrogen-bonded Turntrans-58.7-23.4176.600000113.9K133 V135K133-A137 VanDerWaalsContact O-CB 3.27Å; K133-A137 WeakPolarHBondContact O-CB 3.17Å; K133-A137 PolarHBondContact O-N 2.89Å; V135-A137 VanDerWaalsContact C-N 3.29Å; V135-A137 PolarHBondContact O-N 3.43Å
138N91.5Very high92.5Very high139 Ų13961.1 Ų61.174%0.74332%0.318SS*.THydrogen-bonded Turntrans-108.14.8-174.7-65.9-58.5000114S134 V135 Y136S134-N138 PolarHBondContact O-ND2 3.39Å; V135-N138 PolarHBondContact O-N 3.04Å; V135-N138 VanDerWaalsContact O-N 3.15Å; Y136-N138 PolarHBondContact O-N 2.77Å; Y136-N138 VanDerWaalsContact O-N 3.14Å
139I91.3Very high92.5Very high33 Ų3364.2 Ų64.217%0.16934%0.338CS..THydrogen-bonded Turntrans-82.4-37.5-177.4-62.6178.1000112.3V135 Y136 F174 Y396V135-I139 WeakPolarHBondContact O-CG1 3.41Å; Y136-I139 HydrophobicContact CD1-CD1 3.63Å; Y136-I139 HydrophobicContact CE1-CD1 4.26Å; Y136-I139 PolarHBondContact O-N 2.77Å; I139-F174 HydrophobicContact CB-CE2 4.22Å; I139-F174 HydrophobicContact CB-CZ 4.17Å; I139-F174 HydrophobicContact CD1-CE1 4.26Å; I139-F174 HydrophobicContact CD1-CE2 3.93Å; I139-F174 HydrophobicContact CD1-CZ 3.58Å; I139-F174 HydrophobicContact CG1-CZ 4.48Å; I139-F174 HydrophobicContact CG2-CE2 4.39Å; I139-F174 HydrophobicContact CG2-CZ 3.9Å; I139-Y396 HydrophobicContact CD1-CE1 3.75Å; I139-Y396 HydrophobicContact CD1-CE2 4.16Å; I139-Y396 WeakPolarHBondContact CD1-OH 3.24Å; I139-Y396 HydrophobicContact CG1-CE1 4.19Å
140Y93.2Very high92.5Very high14 Ų1466.9 Ų66.96%0.05535%0.345CS..SBendtrans-129.6139.2-177.2-62.6-62.3000110.1A161 R162 F174 R175 Y378 E388 Q392Y140-A161 WeakPolarHBondContact O-CB 3.26Å; Y140-R162 HydrophobicContact CD2-CB 4.01Å; Y140-R162 HydrophobicContact CD2-CG 3.94Å; Y140-R162 HydrophobicContact CE2-CB 4.31Å; Y140-R162 HydrophobicContact CE2-CG 4.42Å; Y140-R162 HydrophobicContact CG-CG 4.07Å; Y140-F174 AromaticContact CD2-CE2 3.78Å; Y140-F174 HydrophobicContact CD2-CE2 3.78Å; Y140-F174 AromaticContact CD2-CZ 3.97Å; Y140-F174 HydrophobicContact CD2-CZ 3.97Å; Y140-F174 HydrophobicContact CE2-CE1 4.34Å; Y140-F174 AromaticContact CE2-CE2 3.61Å; Y140-F174 HydrophobicContact CE2-CE2 3.61Å; Y140-F174 AromaticContact CE2-CZ 3.35Å; Y140-F174 HydrophobicContact CE2-CZ 3.35Å; Y140-R175 HydrophobicContact CE2-CB 4.38Å; Y140-R175 HydrophobicContact CE2-CG 4.44Å; Y140-R175 PolarHBondContact OH-NH1 3.38Å; Y140-Y378 HydrophobicContact CD1-CD1 4.12Å; Y140-Y378 HydrophobicContact CD1-CE1 4.37Å; Y140-Y378 HydrophobicContact CG-CE1 4.46Å; Y140-E388 VanDerWaalsContact CE1-OE1 3.25Å; Y140-E388 WeakPolarHBondContact CE1-OE1 3.44Å; Y140-E388 VanDerWaalsContact CZ-OE1 3.26Å; Y140-E388 VanDerWaalsContact OH-CD 3.25Å; Y140-E388 PolarHBondContact OH-OE1 3.15Å; Y140-Q392 PolarHBondContact OH-NE2 3.05Å
141E92.7Very high92.8Very high154 Ų15468.3 Ų68.372%0.7234%0.341SS*.  trans-75.6152.3169-63.4-176.8173.600110.6A161 F377 Y378E141-A161 WeakPolarHBondContact O-CB 3.46Å; E141-F377 HydrophobicContact CB-CZ 4.44Å; E141-Y378 WeakPolarHBondContact O-CE1 3.3Å; E141-Y378 PolarHBondContact O-OH 3.19Å; E141-Y378 VanDerWaalsContact O-OH 3.12Å
142Y94.6Very high93Very high53 Ų5358.1 Ų58.121%0.20830%0.304CS..  trans-77.5124.5173-66.5-85.7000110N144 P149 I159 A161Y142-N144 PolarHBondContact O-N 2.74Å; Y142-N144 PolarHBondContact O-ND2 2.92Å; Y142-P149 HydrophobicContact CD1-CG 4.36Å; Y142-P149 HydrophobicContact CD2-CG 3.94Å; Y142-P149 HydrophobicContact CE1-CG 4.34Å; Y142-P149 HydrophobicContact CE2-CG 3.93Å; Y142-P149 HydrophobicContact CG-CG 4.16Å; Y142-I159 PolarHBondContact OH-O 2.96Å; Y142-A161 HydrophobicContact CD1-CB 3.81Å; Y142-A161 HydrophobicContact CE1-CB 4.01Å; Y142-A161 HydrophobicContact CG-CB 4.1Å
143D91.4Very high93.1Very high20 Ų2063.3 Ų63.311%0.10734%0.336CS..  trans-72.2-12.7171.753.861000114.4F145 I146 Y147 Y374 F377 Y378D143-F145 PolarHBondContact O-N 3.37Å; D143-F145 PolarHBondContact OD1-N 2.71Å; D143-I146 PolarHBondContact OD1-N 3.26Å; D143-Y147 PolarHBondContact OD1-N 3.31Å; D143-Y147 WeakPolarHBondContact OD2-CD2 3.32Å; D143-Y374 HydrophobicContact CB-CD2 4.13Å; D143-Y374 HydrophobicContact CB-CE2 3.47Å; D143-Y374 VanDerWaalsContact CB-CE2 3.47Å; D143-Y374 WeakPolarHBondContact OD1-CE2 3.23Å; D143-Y374 PolarHBondContact OD2-OH 2.99Å; D143-F377 HydrophobicContact CB-CD1 3.79Å; D143-F377 HydrophobicContact CB-CD2 4.3Å; D143-F377 HydrophobicContact CB-CE1 3.87Å; D143-F377 HydrophobicContact CB-CE2 4.38Å; D143-F377 HydrophobicContact CB-CG 4.02Å; D143-F377 HydrophobicContact CB-CZ 4.18Å; D143-Y378 WeakPolarHBondContact OD2-CE2 3.09Å; D143-Y378 PolarHBondContact OD2-OH 2.94Å
144N91.2Very high93.3Very high105 Ų10563.8 Ų63.856%0.56134%0.341SS*.SBendtrans56.515.8-178-60.8-61.9000115.6Y142 Y147Y142-N144 PolarHBondContact O-N 2.74Å; Y142-N144 PolarHBondContact O-ND2 2.92Å; N144-Y147 VanDerWaalsContact CA-O 3.24Å; N144-Y147 WeakPolarHBondContact CA-O 3.36Å; N144-Y147 PolarHBondContact N-O 3.47Å
145F89.7Confident93.6Very high41 Ų4162.1 Ų62.118%0.1833%0.329CS..SBendtrans-112.3-62.4174.7178.8-109.1000110.5D143 L297 I298 Y374D143-F145 PolarHBondContact O-N 3.37Å; D143-F145 PolarHBondContact OD1-N 2.71Å; F145-L297 HydrophobicContact CD1-CD1 4.41Å; F145-L297 HydrophobicContact CE1-CB 4.36Å; F145-L297 HydrophobicContact CE1-CD1 4.18Å; F145-L297 HydrophobicContact CE2-CB 4.37Å; F145-L297 HydrophobicContact CZ-CB 3.85Å; F145-L297 HydrophobicContact CZ-CD1 4.28Å; F145-L297 WeakPolarHBondContact O-CD1 3.23Å; F145-I298 HydrophobicContact CZ-CG1 4.13Å; F145-Y374 HydrophobicContact CB-CD2 3.55Å; F145-Y374 HydrophobicContact CB-CE2 3.64Å; F145-Y374 HydrophobicContact CB-CG 4.47Å; F145-Y374 AromaticContact CD1-CD1 3.83Å; F145-Y374 HydrophobicContact CD1-CD1 3.83Å; F145-Y374 AromaticContact CD1-CD2 3.39Å; F145-Y374 HydrophobicContact CD1-CD2 3.39Å; F145-Y374 HydrophobicContact CD1-CE1 4.11Å; F145-Y374 AromaticContact CD1-CE2 3.6Å; F145-Y374 HydrophobicContact CD1-CE2 3.6Å; F145-Y374 AromaticContact CD1-CG 3.51Å; F145-Y374 HydrophobicContact CD1-CG 3.51Å; F145-Y374 HydrophobicContact CE1-CD1 4.18Å; F145-Y374 HydrophobicContact CE1-CD2 4.4Å; F145-Y374 HydrophobicContact CE1-CG 4.11Å; F145-Y374 AromaticContact CG-CD2 3.8Å; F145-Y374 HydrophobicContact CG-CD2 3.8Å; F145-Y374 HydrophobicContact CG-CE2 4.08Å; F145-Y374 HydrophobicContact CG-CG 4.26Å
146I91.8Very high93.7Very high15 Ų1563.6 Ų63.68%0.07734%0.341CS..SBendtrans-86.3-46.3170.6-61.9-172.6000109.6D143 E290 Q293 L297 Y374D143-I146 PolarHBondContact OD1-N 3.26Å; I146-E290 HydrophobicContact CD1-CB 4.3Å; I146-E290 VanDerWaalsContact CD1-O 3.23Å; I146-E290 WeakPolarHBondContact CD1-O 3.24Å; I146-Q293 HydrophobicContact CD1-CB 4.32Å; I146-Q293 HydrophobicContact CD1-CG 4.47Å; I146-Q293 HydrophobicContact CG1-CG 4.46Å; I146-Q293 HydrophobicContact CG2-CB 4.35Å; I146-Q293 HydrophobicContact CG2-CG 3.76Å; I146-L297 HydrophobicContact CG1-CD1 4.11Å; I146-Y374 HydrophobicContact CB-CE2 4.42Å; I146-Y374 VanDerWaalsContact CB-OH 3.22Å; I146-Y374 WeakPolarHBondContact CB-OH 3.47Å; I146-Y374 HydrophobicContact CD1-CD1 4.42Å; I146-Y374 HydrophobicContact CD1-CE1 3.35Å; I146-Y374 VanDerWaalsContact CD1-CZ 3.45Å; I146-Y374 WeakPolarHBondContact CD1-OH 3.31Å; I146-Y374 HydrophobicContact CG1-CE1 3.74Å; I146-Y374 HydrophobicContact CG1-CE2 4.08Å; I146-Y374 VanDerWaalsContact CG1-CZ 3.41Å; I146-Y374 WeakPolarHBondContact CG1-OH 3.39Å
147Y94Very high93.8Very high15 Ų1564 Ų646%0.05934%0.344CS..  trans-111.4118.8-174.9-57.3-68.9000110.5D143 N144 R162 Y289 E290 Y378D143-Y147 PolarHBondContact OD1-N 3.31Å; D143-Y147 WeakPolarHBondContact OD2-CD2 3.32Å; N144-Y147 VanDerWaalsContact CA-O 3.24Å; N144-Y147 WeakPolarHBondContact CA-O 3.36Å; N144-Y147 PolarHBondContact N-O 3.47Å; Y147-R162 HydrophobicContact CD2-CG 4.25Å; Y147-R162 VanDerWaalsContact CE2-CA 3.48Å; Y147-R162 HydrophobicContact CE2-CB 4.2Å; Y147-R162 HydrophobicContact CE2-CG 4.04Å; Y147-Y289 HydrophobicContact CE1-CE1 4.08Å; Y147-Y289 WeakPolarHBondContact OH-CD1 3.37Å; Y147-E290 HydrophobicContact CE2-CG 3.64Å; Y147-E290 VanDerWaalsContact CE2-OE1 3.31Å; Y147-E290 WeakPolarHBondContact CE2-OE1 3.31Å; Y147-E290 WeakPolarHBondContact OH-CG 3.3Å; Y147-E290 PolarHBondContact OH-OE1 3.43Å; Y147-Y378 HydrophobicContact CD2-CE2 4.34Å; Y147-Y378 HydrophobicContact CE2-CE2 4.49Å
148S94.2Very high94Very high27 Ų2766.3 Ų66.319%0.18935%0.349CS..  trans-127.7157.6166.641.60000109K150S148-K150 WeakPolarHBondContact O-CG 3.39Å; S148-K150 PolarHBondContact O-N 2.77Å; S148-K150 WeakPolarHBondContact OG-CE 3.32Å
149P95.2Very high94.3Very high69 Ų6961.2 Ų61.245%0.44832%0.322SS..  trans-56.3108.6177.6-24.133.2000110.7Y142 I158Y142-P149 HydrophobicContact CD1-CG 4.36Å; Y142-P149 HydrophobicContact CD2-CG 3.94Å; Y142-P149 HydrophobicContact CE1-CG 4.34Å; Y142-P149 HydrophobicContact CE2-CG 3.93Å; Y142-P149 HydrophobicContact CG-CG 4.16Å; P149-I158 HydrophobicContact CB-CG2 4.25Å
150K95.1Very high94.5Very high114 Ų11459.8 Ų59.850%0.49631%0.314SS..  trans-132.7137.9-179.9-72.3174.6-176.3168.90109.1S148 I158 I159S148-K150 WeakPolarHBondContact O-CG 3.39Å; S148-K150 PolarHBondContact O-N 2.77Å; S148-K150 WeakPolarHBondContact OG-CE 3.32Å; K150-I158 CarbonylContact O-C 3.53Å; K150-I158 WeakPolarHBondContact O-CA 3.42Å; K150-I159 PolarHBondContact O-N 2.81Å
151Q96.5Very high94.6Very high129 Ų12959.1 Ų59.160%0.60331%0.312SS*.BIsolated β-bridgetrans-80.7131.8174.3-171.5167-20.300110.2T153 H157 I158Q151-T153 PolarHBondContact O-N 2.93Å; Q151-H157 WeakPolarHBondContact CA-O 3.39Å; Q151-I158 HydrophobicContact CB-CD1 3.93Å
152C97.2Very high94.8Very high7 Ų751.8 Ų51.85%0.04728%0.278CS..  trans-73.1122.9165.4-172.20000108.7I154 C155 C156 H157 I159 H165 C172C152-I154 VanDerWaalsContact C-N 3.26Å; C152-I154 PolarHBondContact O-N 3.45Å; C152-C155 HydrophobicContact CB-CB 4.05Å; C152-C155 PolarHBondContact SG-N 2.9Å; C152-C155 VanDerWaalsContact SG-N 3.4Å; C152-C156 VanDerWaalsContact O-CA 3.29Å; C152-C156 WeakPolarHBondContact O-CA 3.33Å; C152-C156 PolarHBondContact O-N 2.96Å; C152-H157 PolarHBondContact N-O 2.92Å; C152-I159 HydrophobicContact CB-CD1 3.83Å; C152-I159 HydrophobicContact CB-CG1 3.68Å; C152-H165 PolarHBondContact SG-ND1 3.38Å; C152-H165 VanDerWaalsContact SG-ND1 3.44Å; C152-C172 VanDerWaalsContact SG-SG 3.67Å
153T95.6Very high94.9Very high127 Ų12749.5 Ų49.578%0.77927%0.269SS*.THydrogen-bonded Turntrans-70.4-24.2179.2520000112.8Q151Q151-T153 PolarHBondContact O-N 2.93Å
154I96.2Very high95.2Very high94 Ų9451.4 Ų51.448%0.48228%0.277SS..THydrogen-bonded Turntrans-90.2-52.1-179.1-59166.4000110.4C152 C156 H165C152-I154 VanDerWaalsContact C-N 3.26Å; C152-I154 PolarHBondContact O-N 3.45Å; I154-C156 VanDerWaalsContact C-N 3.32Å; I154-C156 PolarHBondContact O-N 2.78Å; I154-H165 WeakPolarHBondContact CD1-NE2 3.45Å
155C95.7Very high95.5Very high38 Ų3847.7 Ų47.726%0.25726%0.256SS..THydrogen-bonded Turntrans-81.8-7.4-178.6-60.80000114.1C152 H157 H165C152-C155 HydrophobicContact CB-CB 4.05Å; C152-C155 PolarHBondContact SG-N 2.9Å; C152-C155 VanDerWaalsContact SG-N 3.4Å; C155-H157 VanDerWaalsContact C-N 3.33Å; C155-H157 VanDerWaalsContact CB-CD2 3.44Å; C155-H157 WeakPolarHBondContact CB-CD2 3.41Å; C155-H157 WeakPolarHBondContact CB-NE2 3.39Å; C155-H157 PolarHBondContact O-CD2 2.73Å; C155-H157 PolarHBondContact O-N 3.07Å; C155-H165 PolarHBondContact SG-CE1 3.14Å; C155-H165 PolarHBondContact SG-ND1 3.44Å
156C95.1Very high95.8Very high90 Ų9045.8 Ų45.861%0.60825%0.248SC*.  trans53.938177.7-56.80000115.6C152 I154C152-C156 VanDerWaalsContact O-CA 3.29Å; C152-C156 WeakPolarHBondContact O-CA 3.33Å; C152-C156 PolarHBondContact O-N 2.96Å; I154-C156 VanDerWaalsContact C-N 3.32Å; I154-C156 PolarHBondContact O-N 2.78Å
157H95.1Very high95.8Very high20 Ų2049.6 Ų49.69%0.09328%0.276CS..SBendtrans-139.2162.8171.767.478.3000111.3K133 Q151 C152 C155 I159K133-H157 HydrophobicContact CD-CB 4.32Å; Q151-H157 WeakPolarHBondContact CA-O 3.39Å; C152-H157 PolarHBondContact N-O 2.92Å; C155-H157 VanDerWaalsContact C-N 3.33Å; C155-H157 VanDerWaalsContact CB-CD2 3.44Å; C155-H157 WeakPolarHBondContact CB-CD2 3.41Å; C155-H157 WeakPolarHBondContact CB-NE2 3.39Å; C155-H157 PolarHBondContact O-CD2 2.73Å; C155-H157 PolarHBondContact O-N 3.07Å; H157-I159 PolarHBondContact O-N 3.27Å
158I96.9Very high95.7Very high88 Ų8853.3 Ų53.345%0.45129%0.289SS..BIsolated β-bridgetrans-66.8126169.4-56.6-57.4000108.6P149 K150 Q151 P160P149-I158 HydrophobicContact CB-CG2 4.25Å; K150-I158 CarbonylContact O-C 3.53Å; K150-I158 WeakPolarHBondContact O-CA 3.42Å; Q151-I158 HydrophobicContact CB-CD1 3.93Å; I158-P160 VanDerWaalsContact O-CD 3.3Å; I158-P160 WeakPolarHBondContact O-CD 3.06Å
159I96.9Very high95.6Very high33 Ų3352.3 Ų52.317%0.16928%0.283CS..PPolyproline II helixtrans-72.3117.7179.4-59.2175.5000107.8Y142 K150 C152 H157 S163Y142-I159 PolarHBondContact OH-O 2.96Å; K150-I159 PolarHBondContact O-N 2.81Å; C152-I159 HydrophobicContact CB-CD1 3.83Å; C152-I159 HydrophobicContact CB-CG1 3.68Å; H157-I159 PolarHBondContact O-N 3.27Å; I159-S163 WeakPolarHBondContact CG2-O 3.47Å
160P96.3Very high95.5Very high2 Ų253.2 Ų53.21%0.01328%0.284CS..PPolyproline II helixtrans-56.3156.4176.1-27.638.5000112.7I128 I158 S163I128-P160 HydrophobicContact CD1-CG 3.9Å; I158-P160 VanDerWaalsContact O-CD 3.3Å; I158-P160 WeakPolarHBondContact O-CD 3.06Å; P160-S163 WeakPolarHBondContact O-CB 3.27Å; P160-S163 PolarHBondContact O-N 3.42Å; P160-S163 VanDerWaalsContact O-N 3.1Å; P160-S163 PolarHBondContact O-OG 2.84Å
161A95.7Very high95.6Very high1 Ų151.7 Ų51.71%0.00828%0.278CS..THydrogen-bonded Turntrans-55.5148.317500000111Y140 E141 Y142 S163Y140-A161 WeakPolarHBondContact O-CB 3.26Å; E141-A161 WeakPolarHBondContact O-CB 3.46Å; Y142-A161 HydrophobicContact CD1-CB 3.81Å; Y142-A161 HydrophobicContact CE1-CB 4.01Å; Y142-A161 HydrophobicContact CG-CB 4.1Å; A161-S163 PolarHBondContact O-N 3.21Å; A161-S163 VanDerWaalsContact O-N 3.08Å; A161-S163 PolarHBondContact O-OG 3.35Å
162R96Very high95.7Very high0 Ų045.6 Ų45.60%025%0.25CC..THydrogen-bonded Turntrans62.56.4-174.1-49.9-170.970.6177.96116.1Y140 Y147 R175 F176 N285 E290 Y378Y140-R162 HydrophobicContact CD2-CB 4.01Å; Y140-R162 HydrophobicContact CD2-CG 3.94Å; Y140-R162 HydrophobicContact CE2-CB 4.31Å; Y140-R162 HydrophobicContact CE2-CG 4.42Å; Y140-R162 HydrophobicContact CG-CG 4.07Å; Y147-R162 HydrophobicContact CD2-CG 4.25Å; Y147-R162 VanDerWaalsContact CE2-CA 3.48Å; Y147-R162 HydrophobicContact CE2-CB 4.2Å; Y147-R162 HydrophobicContact CE2-CG 4.04Å; R162-R175 CarbonylContact O-C 3.5Å; R162-R175 WeakPolarHBondContact O-CA 3.44Å; R162-R175 PolarHBondContact O-N 3.07Å; R162-F176 PolarHBondContact O-N 3.34Å; R162-N285 PolarHBondContact NH1-OD1 3.32Å; R162-N285 PolarHBondContact NH2-O 2.96Å; R162-E290 WeakPolarHBondContact CG-OE1 3.25Å; R162-E290 IonicContact CZ-OE1 2.72Å; R162-E290 IonicContact CZ-OE2 3.77Å; R162-E290 IonicContact NE-OE1 3.49Å; R162-E290 PolarHBondContact NE-OE1 3.06Å; R162-E290 IonicContact NE-OE2 3.62Å; R162-E290 IonicContact NH2-OE1 3.46Å; R162-E290 PolarHBondContact NH2-OE1 3.19Å; R162-E290 IonicContact NH2-OE2 3.41Å; R162-E290 PolarHBondContact NH2-OE2 3.37Å; R162-Y378 HydrophobicContact CG-CD1 4.29Å; R162-Y378 HydrophobicContact CG-CD2 4.24Å; R162-Y378 HydrophobicContact CG-CE1 3.77Å; R162-Y378 HydrophobicContact CG-CE2 3.75Å; R162-Y378 HydrophobicContact CG-CG 4.49Å; R162-Y378 VanDerWaalsContact CG-CZ 3.49Å
163S97.6Very high95.7Very high4 Ų445.2 Ų45.23%0.02825%0.247CC..  trans-107.2157.1-177.1-50.50000111.6I159 P160 A161 I173 F174I159-S163 WeakPolarHBondContact CG2-O 3.47Å; P160-S163 WeakPolarHBondContact O-CB 3.27Å; P160-S163 PolarHBondContact O-N 3.42Å; P160-S163 VanDerWaalsContact O-N 3.1Å; P160-S163 PolarHBondContact O-OG 2.84Å; A161-S163 PolarHBondContact O-N 3.21Å; A161-S163 VanDerWaalsContact O-N 3.08Å; A161-S163 PolarHBondContact O-OG 3.35Å; S163-I173 VanDerWaalsContact CA-O 3.24Å; S163-I173 WeakPolarHBondContact CA-O 3.35Å; S163-I173 VanDerWaalsContact CB-O 3.26Å; S163-I173 WeakPolarHBondContact CB-O 3.28Å; S163-F174 WeakPolarHBondContact OG-CA 3.25Å
164K96.9Very high95.8Very high61 Ų6139.3 Ų39.327%0.26521%0.211SC..EExtended strand (participates in β ladder)trans-151.8143.4179.8172.7171.5176-62.30112C166 C172 I173 F176 Y289K164-C166 PolarHBondContact O-N 3.37Å; K164-C172 WeakPolarHBondContact O-CA 3.28Å; K164-I173 PolarHBondContact N-O 3.07Å; K164-I173 PolarHBondContact O-N 3.36Å; K164-F176 HydrophobicContact CB-CB 3.99Å; K164-F176 HydrophobicContact CB-CD1 4.02Å; K164-F176 HydrophobicContact CB-CG 4.03Å; K164-F176 HydrophobicContact CD-CD1 3.93Å; K164-F176 HydrophobicContact CD-CE1 4.01Å; K164-F176 HydrophobicContact CG-CD1 4.34Å; K164-Y289 HydrophobicContact CD-CD1 4.43Å; K164-Y289 HydrophobicContact CD-CD2 4.07Å; K164-Y289 HydrophobicContact CD-CE1 3.92Å; K164-Y289 HydrophobicContact CD-CE2 3.53Å; K164-Y289 VanDerWaalsContact CD-CZ 3.45Å
165H97.9Very high95.7Very high26 Ų2635 Ų3512%0.1219%0.188CC..EExtended strand (participates in β ladder)trans-67.4119.7166.1-161.883.8000110.1C152 I154 C155 D170 H171C152-H165 PolarHBondContact SG-ND1 3.38Å; C152-H165 VanDerWaalsContact SG-ND1 3.44Å; I154-H165 WeakPolarHBondContact CD1-NE2 3.45Å; C155-H165 PolarHBondContact SG-CE1 3.14Å; C155-H165 PolarHBondContact SG-ND1 3.44Å; H165-D170 IonicContact CE1-OD1 3.23Å; H165-D170 PolarHBondContact CE1-OD1 3.38Å; H165-D170 IonicContact NE2-OD1 2.89Å; H165-D170 PolarHBondContact NE2-OD1 3.26Å; H165-H171 PolarHBondContact CE1-N 3.15Å
166C96Very high95.8Very high1 Ų133.7 Ų33.71%0.00718%0.178CC..EExtended strand (participates in β ladder)trans-93.2111.5169.3-1770000108.5K164 R168 C169 D170 H171 I173 F176 C186K164-C166 PolarHBondContact O-N 3.37Å; C166-R168 PolarHBondContact O-N 3.08Å; C166-C169 HydrophobicContact CB-CB 3.91Å; C166-C169 CarbonylContact O-C 3.6Å; C166-C169 PolarHBondContact O-N 3.49Å; C166-C169 VanDerWaalsContact O-N 3.09Å; C166-C169 VanDerWaalsContact SG-SG 3.63Å; C166-D170 WeakPolarHBondContact O-CA 3.45Å; C166-D170 PolarHBondContact O-N 3.07Å; C166-H171 PolarHBondContact N-O 3.02Å; C166-H171 PolarHBondContact O-N 3.35Å; C166-I173 HydrophobicContact CB-CG1 4.1Å; C166-F176 HydrophobicContact CB-CE2 3.99Å; C166-C186 WeakPolarHBondContact CB-SG 3.26Å; C166-C186 PolarHBondContact SG-SG 3.46Å
167S92.7Very high96Very high95 Ų9529.6 Ų29.666%0.66415%0.15SC*.THydrogen-bonded Turntrans-59.8-29.617852.30000113.3
168R90.3Very high96Very high93 Ų9330.3 Ų30.335%0.35115%0.154SC..THydrogen-bonded Turntrans-70.6-39.9175.4-64.3179-17395.72.2112.2F64 R66 C166 D170 H179F64-R168 PolarHBondContact O-NE 2.86Å; R66-R168 WeakPolarHBondContact CD-O 3.47Å; R66-R168 HydrophobicContact CG-CB 4.05Å; R66-R168 VanDerWaalsContact CZ-O 3.32Å; R66-R168 PolarHBondContact NE-O 3.35Å; R66-R168 PolarHBondContact NH1-O 2.98Å; C166-R168 PolarHBondContact O-N 3.08Å; R168-D170 VanDerWaalsContact C-N 3.33Å; R168-H179 WeakPolarHBondContact CD-CD2 3.44Å
169C92.5Very high95.9Very high7 Ų726.8 Ų26.85%0.04714%0.135CC..THydrogen-bonded Turntrans-86-10.8179.7-54.60000112.7R66 F127 C166 H171 I173 H179 C186R66-C169 VanDerWaalsContact NH2-CB 3.28Å; R66-C169 PolarHBondContact NH2-SG 2.86Å; F127-C169 HydrophobicContact CE1-CB 4.23Å; C166-C169 HydrophobicContact CB-CB 3.91Å; C166-C169 CarbonylContact O-C 3.6Å; C166-C169 PolarHBondContact O-N 3.49Å; C166-C169 VanDerWaalsContact O-N 3.09Å; C166-C169 VanDerWaalsContact SG-SG 3.63Å; C169-H171 PolarHBondContact O-N 3.06Å; C169-H171 VanDerWaalsContact O-N 3.17Å; C169-H171 PolarHBondContact O-ND1 2.88Å; C169-I173 HydrophobicContact CB-CD1 4.38Å; C169-H179 PolarHBondContact SG-ND1 2.98Å; C169-C186 WeakPolarHBondContact CB-SG 3.32Å; C169-C186 WeakPolarHBondContact SG-CB 3.41Å; C169-C186 CovalentContact SG-SG 2.08Å; C169-C186 PolarHBondContact SG-SG 3.28Å
170D94.4Very high95.8Very high88 Ų8825.8 Ų25.847%0.47113%0.131SC..THydrogen-bonded Turntrans42.536.6-167.2-157.429.6000115.5H165 C166 R168H165-D170 IonicContact CE1-OD1 3.23Å; H165-D170 PolarHBondContact CE1-OD1 3.38Å; H165-D170 IonicContact NE2-OD1 2.89Å; H165-D170 PolarHBondContact NE2-OD1 3.26Å; C166-D170 WeakPolarHBondContact O-CA 3.45Å; C166-D170 PolarHBondContact O-N 3.07Å; R168-D170 VanDerWaalsContact C-N 3.33Å
171H96Very high95.5Very high82 Ų8227.5 Ų27.538%0.3814%0.141SC..EExtended strand (participates in β ladder)trans-144151.7-179.5-75.679.7000110.6F127 H165 C166 C169 I173F127-H171 HydrophobicContact CD1-CB 3.46Å; F127-H171 VanDerWaalsContact CD1-CB 3.46Å; F127-H171 AromaticContact CD1-CG 3.75Å; F127-H171 HydrophobicContact CE1-CB 3.81Å; H165-H171 PolarHBondContact CE1-N 3.15Å; C166-H171 PolarHBondContact N-O 3.02Å; C166-H171 PolarHBondContact O-N 3.35Å; C169-H171 PolarHBondContact O-N 3.06Å; C169-H171 VanDerWaalsContact O-N 3.17Å; C169-H171 PolarHBondContact O-ND1 2.88Å; H171-I173 HydrophobicContact CB-CD1 4.27Å
172C98.2Very high95.3Very high0 Ų033.5 Ų33.50%016%0.164CC..EExtended strand (participates in β ladder)trans-70.9129.1163.6-70.10000110I128 C152 K164I128-C172 HydrophobicContact CB-CB 3.96Å; I128-C172 HydrophobicContact CD1-CB 4.04Å; I128-C172 HydrophobicContact CG1-CB 4.24Å; I128-C172 WeakPolarHBondContact CG1-O 3.43Å; I128-C172 PolarHBondContact N-O 3.21Å; C152-C172 VanDerWaalsContact SG-SG 3.67Å; K164-C172 WeakPolarHBondContact O-CA 3.28Å
173I97.7Very high95.2Very high0 Ų033.6 Ų33.60%016%0.164CC..EExtended strand (participates in β ladder)trans-110.5128.3-179.8-49.2-58.7000108.7P125 F127 S163 K164 C166 C169 H171 F176 C186P125-I173 HydrophobicContact CB-CG2 3.91Å; P125-I173 HydrophobicContact CG-CD1 3.96Å; P125-I173 HydrophobicContact CG-CG2 4.33Å; F127-I173 HydrophobicContact CD1-CD1 3.42Å; F127-I173 VanDerWaalsContact CD1-CD1 3.42Å; F127-I173 HydrophobicContact CE1-CD1 3.49Å; F127-I173 VanDerWaalsContact CE1-CD1 3.49Å; F127-I173 HydrophobicContact CG-CD1 4.42Å; S163-I173 VanDerWaalsContact CA-O 3.24Å; S163-I173 WeakPolarHBondContact CA-O 3.35Å; S163-I173 VanDerWaalsContact CB-O 3.26Å; S163-I173 WeakPolarHBondContact CB-O 3.28Å; K164-I173 PolarHBondContact N-O 3.07Å; K164-I173 PolarHBondContact O-N 3.36Å; C166-I173 HydrophobicContact CB-CG1 4.1Å; C169-I173 HydrophobicContact CB-CD1 4.38Å; H171-I173 HydrophobicContact CB-CD1 4.27Å; I173-F176 HydrophobicContact CB-CB 4.27Å; I173-F176 HydrophobicContact CB-CD2 3.86Å; I173-F176 HydrophobicContact CG1-CD2 4.07Å; I173-F176 HydrophobicContact CG2-CD2 4.21Å; I173-C186 HydrophobicContact CD1-CB 4.04Å; I173-C186 HydrophobicContact CG1-CB 3.99Å; I173-C186 HydrophobicContact CG2-CB 4.43Å
174F97Very high95Very high2 Ų235.4 Ų35.41%0.00917%0.174CC..THydrogen-bonded Turntrans-69.3134.1175.2174.8-110.5000111.1G126 I128 Y136 I139 Y140 S163 F176 G189G126-F174 WeakPolarHBondContact O-CB 3.12Å; G126-F174 PolarHBondContact O-N 3.21Å; I128-F174 HydrophobicContact CD1-CB 4.3Å; I128-F174 HydrophobicContact CG1-CB 4.16Å; Y136-F174 HydrophobicContact CD1-CB 4.23Å; Y136-F174 AromaticContact CD1-CD1 3.97Å; Y136-F174 HydrophobicContact CD1-CD1 3.97Å; Y136-F174 AromaticContact CD1-CD2 3.59Å; Y136-F174 HydrophobicContact CD1-CD2 3.59Å; Y136-F174 HydrophobicContact CD1-CE1 4.23Å; Y136-F174 AromaticContact CD1-CE2 3.88Å; Y136-F174 HydrophobicContact CD1-CE2 3.88Å; Y136-F174 AromaticContact CD1-CG 3.64Å; Y136-F174 HydrophobicContact CD1-CG 3.64Å; Y136-F174 HydrophobicContact CD1-CZ 4.19Å; Y136-F174 HydrophobicContact CD2-CB 4.22Å; Y136-F174 HydrophobicContact CD2-CG 4.47Å; Y136-F174 HydrophobicContact CE1-CB 4.17Å; Y136-F174 AromaticContact CE1-CD1 3.73Å; Y136-F174 HydrophobicContact CE1-CD1 3.73Å; Y136-F174 HydrophobicContact CE1-CD2 4.18Å; Y136-F174 HydrophobicContact CE1-CE1 4.15Å; Y136-F174 AromaticContact CE1-CG 3.75Å; Y136-F174 HydrophobicContact CE1-CG 3.75Å; Y136-F174 HydrophobicContact CE2-CB 4.1Å; Y136-F174 HydrophobicContact CG-CB 4.27Å; Y136-F174 AromaticContact CG-CD2 3.82Å; Y136-F174 HydrophobicContact CG-CD2 3.82Å; Y136-F174 HydrophobicContact CG-CE2 4.39Å; Y136-F174 HydrophobicContact CG-CG 4.04Å; I139-F174 HydrophobicContact CB-CE2 4.22Å; I139-F174 HydrophobicContact CB-CZ 4.17Å; I139-F174 HydrophobicContact CD1-CE1 4.26Å; I139-F174 HydrophobicContact CD1-CE2 3.93Å; I139-F174 HydrophobicContact CD1-CZ 3.58Å; I139-F174 HydrophobicContact CG1-CZ 4.48Å; I139-F174 HydrophobicContact CG2-CE2 4.39Å; I139-F174 HydrophobicContact CG2-CZ 3.9Å; Y140-F174 AromaticContact CD2-CE2 3.78Å; Y140-F174 HydrophobicContact CD2-CE2 3.78Å; Y140-F174 AromaticContact CD2-CZ 3.97Å; Y140-F174 HydrophobicContact CD2-CZ 3.97Å; Y140-F174 HydrophobicContact CE2-CE1 4.34Å; Y140-F174 AromaticContact CE2-CE2 3.61Å; Y140-F174 HydrophobicContact CE2-CE2 3.61Å; Y140-F174 AromaticContact CE2-CZ 3.35Å; Y140-F174 HydrophobicContact CE2-CZ 3.35Å; S163-F174 WeakPolarHBondContact OG-CA 3.25Å; F174-F176 VanDerWaalsContact C-N 3.34Å; F174-F176 PolarHBondContact O-N 3.04Å; F174-G189 PolarHBondContact O-N 3.39Å
175R96.1Very high94.8Very high4 Ų433 Ų332%0.01516%0.164CC..THydrogen-bonded Turntrans47.755.3-178.3-166-169.3164.7125.4-3.8111.7Y140 R162 D177 G188 G189 N285 T287 E388Y140-R175 HydrophobicContact CE2-CB 4.38Å; Y140-R175 HydrophobicContact CE2-CG 4.44Å; Y140-R175 PolarHBondContact OH-NH1 3.38Å; R162-R175 CarbonylContact O-C 3.5Å; R162-R175 WeakPolarHBondContact O-CA 3.44Å; R162-R175 PolarHBondContact O-N 3.07Å; R175-D177 PolarHBondContact O-N 2.79Å; R175-G188 WeakPolarHBondContact O-CA 3.27Å; R175-G189 PolarHBondContact O-N 3.49Å; R175-N285 PolarHBondContact NH1-OD1 3.32Å; R175-N285 PolarHBondContact NH2-OD1 3.36Å; R175-T287 HydrophobicContact CG-CG2 4.2Å; R175-E388 IonicContact NH1-OE1 2.72Å; R175-E388 PolarHBondContact NH1-OE1 2.75Å; R175-E388 IonicContact NH1-OE2 2.69Å; R175-E388 PolarHBondContact NH1-OE2 3.25Å
176F97.8Very high94.8Very high11 Ų1131.7 Ų31.75%0.04816%0.158CC..  trans-65.4126.8-171.3175.7-97.7000111.8R162 K164 C166 I173 F174 T287 Y289R162-F176 PolarHBondContact O-N 3.34Å; K164-F176 HydrophobicContact CB-CB 3.99Å; K164-F176 HydrophobicContact CB-CD1 4.02Å; K164-F176 HydrophobicContact CB-CG 4.03Å; K164-F176 HydrophobicContact CD-CD1 3.93Å; K164-F176 HydrophobicContact CD-CE1 4.01Å; K164-F176 HydrophobicContact CG-CD1 4.34Å; C166-F176 HydrophobicContact CB-CE2 3.99Å; I173-F176 HydrophobicContact CB-CB 4.27Å; I173-F176 HydrophobicContact CB-CD2 3.86Å; I173-F176 HydrophobicContact CG1-CD2 4.07Å; I173-F176 HydrophobicContact CG2-CD2 4.21Å; F174-F176 VanDerWaalsContact C-N 3.34Å; F174-F176 PolarHBondContact O-N 3.04Å; F176-T287 PolarHBondContact O-OG1 3.46Å; F176-Y289 HydrophobicContact CD1-CD1 4.27Å; F176-Y289 HydrophobicContact CD1-CD2 4.26Å; F176-Y289 AromaticContact CD1-CG 3.87Å; F176-Y289 HydrophobicContact CD1-CG 3.87Å; F176-Y289 HydrophobicContact CE1-CD2 4.13Å; F176-Y289 HydrophobicContact CE1-CG 4.15Å
177D97.3Very high94.9Very high3 Ų331.7 Ų31.72%0.01616%0.158CC..  trans-99.9-66173.1-168.477.6000111.5R175 I187 H278 T287 S288 Y289R175-D177 PolarHBondContact O-N 2.79Å; D177-I187 HydrophobicContact CB-CB 4.32Å; D177-I187 HydrophobicContact CB-CG2 4.18Å; D177-I187 WeakPolarHBondContact CB-O 3.34Å; D177-I187 PolarHBondContact N-O 3.27Å; D177-H278 IonicContact OD2-CE1 3.68Å; D177-T287 HydrophobicContact CB-CG2 4.39Å; D177-T287 VanDerWaalsContact OD1-CA 3.27Å; D177-T287 WeakPolarHBondContact OD1-CA 3.29Å; D177-T287 VanDerWaalsContact OD1-CB 3.26Å; D177-T287 WeakPolarHBondContact OD1-CB 3.49Å; D177-S288 PolarHBondContact O-OG 3.43Å; D177-S288 PolarHBondContact OD1-N 2.82Å; D177-S288 PolarHBondContact OD1-OG 3.38Å; D177-S288 PolarHBondContact OD2-OG 2.9Å; D177-Y289 VanDerWaalsContact O-CB 3.23Å; D177-Y289 WeakPolarHBondContact O-CB 3.48Å; D177-Y289 PolarHBondContact O-N 2.71Å
178H95.9Very high95.1Very high35 Ų3527.2 Ų27.216%0.16213%0.127CC..EExtended strand (participates in β ladder)trans-159.9175.6175.167.3-76.4000110.8I187 F195H178-I187 PolarHBondContact N-O 3.42Å; H178-I187 PolarHBondContact O-N 3.39Å; H178-F195 AromaticContact CE1-CZ 3.75Å
179H94.6Very high95.3Very high15 Ų1522.8 Ų22.87%0.06911%0.11CC..EExtended strand (participates in β ladder)trans-101.1117.4163.6-178.979.3000108.6R66 R168 C169R66-H179 PolarHBondContact NE-CE1 2.89Å; R168-H179 WeakPolarHBondContact CD-CD2 3.44Å; C169-H179 PolarHBondContact SG-ND1 2.98Å
180C94.4Very high95.4Very high12 Ų1224.9 Ų24.98%0.08112%0.119CC..EExtended strand (participates in β ladder)trans-88.3114.6-178.7-173.50000109.6W182 T183 N184 C185 I187C180-W182 VanDerWaalsContact C-N 3.28Å; C180-W182 PolarHBondContact O-N 2.62Å; C180-T183 WeakPolarHBondContact CB-OG1 3.39Å; C180-N184 WeakPolarHBondContact O-CA 3.25Å; C180-N184 PolarHBondContact O-N 3.11Å; C180-C185 PolarHBondContact N-O 3.19Å; C180-C185 PolarHBondContact O-N 3.29Å; C180-I187 HydrophobicContact CB-CD1 4.28Å; C180-I187 HydrophobicContact CB-CG1 3.99Å
181V90.9Very high95.5Very high37 Ų3720.8 Ų20.822%0.22410%0.097CC..THydrogen-bonded Turntrans-66-31.7178.5-65.40000112.2Y70 T183 N184Y70-V181 VanDerWaalsContact CB-O 3.3Å; Y70-V181 WeakPolarHBondContact CB-O 3.26Å; Y70-V181 HydrophobicContact CD2-CB 4.11Å; Y70-V181 HydrophobicContact CE2-CB 4.35Å; Y70-V181 HydrophobicContact CG-CB 4.3Å; V181-T183 PolarHBondContact O-N 3.18Å; V181-N184 PolarHBondContact O-N 2.9Å
182W91.8Very high95.5Very high128 Ų12817 Ų1749%0.4858%0.08SC..THydrogen-bonded Turntrans-69.5-30.5-178.6-62.1107.1000113.9Y70 Y117 C180Y70-W182 HydrophobicContact CD1-CE3 4.41Å; Y70-W182 HydrophobicContact CD1-CZ3 4.3Å; Y117-W182 PolarHBondContact OH-O 2.85Å; C180-W182 VanDerWaalsContact C-N 3.28Å; C180-W182 PolarHBondContact O-N 2.62Å
183T94Very high95.4Very high1 Ų117.2 Ų17.21%0.0068%0.082CC..THydrogen-bonded Turntrans-103.1-3.7175.860.20000111.9Q71 Y117 L120 C180 V181 C185Q71-T183 PolarHBondContact NE2-O 3.47Å; Y117-T183 HydrophobicContact CD2-CG2 4.26Å; Y117-T183 HydrophobicContact CE2-CG2 3.93Å; L120-T183 HydrophobicContact CD2-CG2 3.5Å; L120-T183 VanDerWaalsContact CD2-CG2 3.5Å; L120-T183 HydrophobicContact CG-CG2 3.97Å; C180-T183 WeakPolarHBondContact CB-OG1 3.39Å; V181-T183 PolarHBondContact O-N 3.18Å; T183-C185 PolarHBondContact O-N 3.41Å
184N92.7Very high95.3Very high42 Ų4219.4 Ų19.423%0.2259%0.094CC..THydrogen-bonded Turntrans50.428.2-172.5-164.623.5000113.1R66 Q71 C180 V181R66-N184 WeakPolarHBondContact CB-OD1 3.34Å; R66-N184 WeakPolarHBondContact CG-OD1 3.5Å; Q71-N184 HydrophobicContact CG-CB 4.21Å; C180-N184 WeakPolarHBondContact O-CA 3.25Å; C180-N184 PolarHBondContact O-N 3.11Å; V181-N184 PolarHBondContact O-N 2.9Å
185C93.4Very high95.3Very high10 Ų1019.6 Ų19.67%0.0689%0.094CC..EExtended strand (participates in β ladder)trans-128.7145.1-173.6-170.50000110.4C180 T183C180-C185 PolarHBondContact N-O 3.19Å; C180-C185 PolarHBondContact O-N 3.29Å; T183-C185 PolarHBondContact O-N 3.41Å
186C97.2Very high95.3Very high0 Ų020.1 Ų20.10%010%0.097CC..EExtended strand (participates in β ladder)trans-65.6144.1167.2-84.90000108.4P125 C166 C169 I173 N191P125-C186 HydrophobicContact CB-CB 3.82Å; P125-C186 VanDerWaalsContact CB-O 3.29Å; P125-C186 WeakPolarHBondContact CB-O 3.45Å; P125-C186 HydrophobicContact CG-CB 3.9Å; C166-C186 WeakPolarHBondContact CB-SG 3.26Å; C166-C186 PolarHBondContact SG-SG 3.46Å; C169-C186 WeakPolarHBondContact CB-SG 3.32Å; C169-C186 WeakPolarHBondContact SG-CB 3.41Å; C169-C186 CovalentContact SG-SG 2.08Å; C169-C186 PolarHBondContact SG-SG 3.28Å; I173-C186 HydrophobicContact CD1-CB 4.04Å; I173-C186 HydrophobicContact CG1-CB 3.99Å; I173-C186 HydrophobicContact CG2-CB 4.43Å; C186-N191 PolarHBondContact O-ND2 3.4Å
187I97.6Very high95.3Very high0 Ų021.9 Ų21.90%011%0.109CC..EExtended strand (participates in β ladder)trans-105.2120.8169-53.7-54.7000106.7L120 D177 H178 C180 N191 F195L120-I187 HydrophobicContact CD1-CD1 4.07Å; D177-I187 HydrophobicContact CB-CB 4.32Å; D177-I187 HydrophobicContact CB-CG2 4.18Å; D177-I187 WeakPolarHBondContact CB-O 3.34Å; D177-I187 PolarHBondContact N-O 3.27Å; H178-I187 PolarHBondContact N-O 3.42Å; H178-I187 PolarHBondContact O-N 3.39Å; C180-I187 HydrophobicContact CB-CD1 4.28Å; C180-I187 HydrophobicContact CB-CG1 3.99Å; I187-N191 WeakPolarHBondContact CA-OD1 3.41Å; I187-F195 HydrophobicContact CD1-CB 4.1Å; I187-F195 HydrophobicContact CD1-CD2 3.71Å; I187-F195 HydrophobicContact CD1-CE2 4.4Å; I187-F195 HydrophobicContact CD1-CG 4.03Å; I187-F195 HydrophobicContact CG1-CD2 4Å; I187-F195 HydrophobicContact CG1-CE2 4.32Å; I187-F195 HydrophobicContact CG1-CG 4.22Å; I187-F195 HydrophobicContact CG2-CB 4.04Å; I187-F195 HydrophobicContact CG2-CD1 4.09Å; I187-F195 HydrophobicContact CG2-CG 4Å
188G97Very high95.3Very high1 Ų122.4 Ų22.41%0.0111%0.111CC..  trans-148.9-169.9-175.500000112.1P125 R175 Q190 N191 H192P125-G188 CarbonylContact O-C 3.6Å; P125-G188 VanDerWaalsContact O-CA 3.26Å; P125-G188 WeakPolarHBondContact O-CA 3.34Å; R175-G188 WeakPolarHBondContact O-CA 3.27Å; G188-Q190 PolarHBondContact O-N 2.76Å; G188-Q190 VanDerWaalsContact O-N 3.09Å; G188-N191 PolarHBondContact N-OD1 2.83Å; G188-N191 PolarHBondContact O-N 2.94Å; G188-N191 PolarHBondContact O-OD1 2.92Å; G188-H192 VanDerWaalsContact O-CB 3.29Å; G188-H192 WeakPolarHBondContact O-CB 3.44Å; G188-H192 PolarHBondContact O-N 3.28Å
189G94.8Very high95.4Very high0 Ų021 Ų210%011%0.105CC..THydrogen-bonded Turntrans-57.8-29.4-170.700000115.1P125 F174 R175 Q392P125-G189 PolarHBondContact O-N 2.68Å; F174-G189 PolarHBondContact O-N 3.39Å; R175-G189 PolarHBondContact O-N 3.49Å; G189-Q392 VanDerWaalsContact CA-OE1 3.31Å; G189-Q392 WeakPolarHBondContact O-CB 3.28Å; G189-Q392 PolarHBondContact O-OE1 2.88Å
190Q94.6Very high95.5Very high51 Ų5124.4 Ų24.424%0.23812%0.123CC..THydrogen-bonded Turntrans-89.8-16.3-177.6-68.1-165.5-12.900115D124 P125 Y136 G188 T393D124-Q190 VanDerWaalsContact O-CB 3.26Å; D124-Q190 WeakPolarHBondContact O-CB 3.41Å; D124-Q190 PolarHBondContact OD2-OE1 3.01Å; P125-Q190 PolarHBondContact O-N 3.31Å; Y136-Q190 PolarHBondContact OH-NE2 2.89Å; G188-Q190 PolarHBondContact O-N 2.76Å; G188-Q190 VanDerWaalsContact O-N 3.09Å; Q190-T393 WeakPolarHBondContact O-CG2 3.01Å
191N96.2Very high95.6Very high2 Ų224.5 Ų24.51%0.01112%0.124CC..THydrogen-bonded Turntrans-123.93.9178.869.7-4000114L120 S123 C186 I187 G188 G193 L194 F195L120-N191 HydrophobicContact CD1-CB 4.38Å; S123-N191 WeakPolarHBondContact OG-CB 3.49Å; S123-N191 PolarHBondContact OG-ND2 3.19Å; C186-N191 PolarHBondContact O-ND2 3.4Å; I187-N191 WeakPolarHBondContact CA-OD1 3.41Å; G188-N191 PolarHBondContact N-OD1 2.83Å; G188-N191 PolarHBondContact O-N 2.94Å; G188-N191 PolarHBondContact O-OD1 2.92Å; N191-G193 PolarHBondContact O-N 3.3Å; N191-L194 PolarHBondContact O-N 2.67Å; N191-F195 PolarHBondContact O-N 3.32Å
192H96.2Very high95.9Very high4 Ų423.6 Ų23.62%0.01912%0.118CC..Hα-helixtrans-60.1-42.7-178.6-166.2-151.5000113.1G188 L194 F195 I196 M389G188-H192 VanDerWaalsContact O-CB 3.29Å; G188-H192 WeakPolarHBondContact O-CB 3.44Å; G188-H192 PolarHBondContact O-N 3.28Å; H192-L194 VanDerWaalsContact C-N 3.34Å; H192-L194 PolarHBondContact O-N 3.45Å; H192-F195 WeakPolarHBondContact O-CB 3.25Å; H192-F195 PolarHBondContact O-N 2.88Å; H192-I196 WeakPolarHBondContact O-CG1 3.19Å; H192-I196 PolarHBondContact O-N 2.84Å; H192-I196 VanDerWaalsContact O-N 3.09Å; H192-M389 HydrophobicContact CB-CE 4.37Å; H192-M389 WeakPolarHBondContact ND1-CE 3.44Å
193G95.4Very high96.1Very high4 Ų417.9 Ų17.94%0.04110%0.097CC..Hα-helixtrans-62.3-40176.100000113.1N191 I196 T197N191-G193 PolarHBondContact O-N 3.3Å; G193-I196 PolarHBondContact O-N 3.48Å; G193-T197 PolarHBondContact O-N 3.09Å; G193-T197 PolarHBondContact O-OG1 2.93Å
194L96.2Very high96.2Very high46 Ų4622.7 Ų22.724%0.24112%0.122CC..Hα-helixtrans-66-40.1175.6-179.759.4000111.4L116 L119 L120 N191 H192 I196 T197 F198L116-L194 HydrophobicContact CD2-CD1 3.85Å; L119-L194 HydrophobicContact CB-CD1 4.41Å; L119-L194 HydrophobicContact CB-CD2 3.99Å; L120-L194 HydrophobicContact CB-CD2 4.13Å; L120-L194 HydrophobicContact CB-CG 4.18Å; L120-L194 HydrophobicContact CD1-CB 4.48Å; L120-L194 HydrophobicContact CD1-CD2 4.32Å; L120-L194 HydrophobicContact CD1-CG 4.18Å; N191-L194 PolarHBondContact O-N 2.67Å; H192-L194 VanDerWaalsContact C-N 3.34Å; H192-L194 PolarHBondContact O-N 3.45Å; L194-I196 PolarHBondContact O-N 2.69Å; L194-T197 PolarHBondContact O-N 2.94Å; L194-F198 WeakPolarHBondContact O-CB 3.46Å; L194-F198 PolarHBondContact O-N 3.13Å
195F97.5Very high96.3Very high5 Ų521.1 Ų21.12%0.02211%0.114CC..Hα-helixtrans-58.4-45.5174.4173.8-106000112.5L120 H178 I187 N191 H192 F198 L199 Y274 H278L120-F195 HydrophobicContact CD1-CB 4.08Å; L120-F195 HydrophobicContact CD2-CB 4.43Å; L120-F195 HydrophobicContact CD2-CD2 3.99Å; H178-F195 AromaticContact CE1-CZ 3.75Å; I187-F195 HydrophobicContact CD1-CB 4.1Å; I187-F195 HydrophobicContact CD1-CD2 3.71Å; I187-F195 HydrophobicContact CD1-CE2 4.4Å; I187-F195 HydrophobicContact CD1-CG 4.03Å; I187-F195 HydrophobicContact CG1-CD2 4Å; I187-F195 HydrophobicContact CG1-CE2 4.32Å; I187-F195 HydrophobicContact CG1-CG 4.22Å; I187-F195 HydrophobicContact CG2-CB 4.04Å; I187-F195 HydrophobicContact CG2-CD1 4.09Å; I187-F195 HydrophobicContact CG2-CG 4Å; N191-F195 PolarHBondContact O-N 3.32Å; H192-F195 WeakPolarHBondContact O-CB 3.25Å; H192-F195 PolarHBondContact O-N 2.88Å; F195-F198 PolarHBondContact O-N 3.42Å; F195-L199 WeakPolarHBondContact O-CB 3.26Å; F195-L199 PolarHBondContact O-N 3.41Å; F195-Y274 HydrophobicContact CE1-CE1 4.39Å; F195-Y274 AromaticContact CZ-CE1 3.81Å; F195-Y274 HydrophobicContact CZ-CE1 3.81Å; F195-Y274 WeakPolarHBondContact CZ-OH 3.38Å; F195-H278 AromaticContact CE1-CE1 3.97Å; F195-H278 AromaticContact CE1-NE2 3.82Å
196I97Very high96.4Very high15 Ų1521.6 Ų21.68%0.07712%0.115CC..Hα-helixtrans-68.1-39.1177.5-62.2-55.9000111.9H192 G193 L194 L199 L200 H278 I282 M389H192-I196 WeakPolarHBondContact O-CG1 3.19Å; H192-I196 PolarHBondContact O-N 2.84Å; H192-I196 VanDerWaalsContact O-N 3.09Å; G193-I196 PolarHBondContact O-N 3.48Å; L194-I196 PolarHBondContact O-N 2.69Å; I196-L199 PolarHBondContact O-N 2.86Å; I196-L200 WeakPolarHBondContact O-CB 3.42Å; I196-L200 PolarHBondContact O-N 2.92Å; I196-H278 HydrophobicContact CD1-CB 3.79Å; I196-I282 HydrophobicContact CD1-CD1 3.87Å; I196-I282 HydrophobicContact CG1-CD1 3.73Å; I196-M389 HydrophobicContact CB-CE 4.11Å; I196-M389 HydrophobicContact CG1-CE 3.37Å
197T96.7Very high96.4Very high48 Ų4825 Ų2529%0.29414%0.136SC..Hα-helixtrans-62.8-44.1175.6-54.60000111.1L116 G193 L194 L200 S201L116-T197 HydrophobicContact CD1-CG2 4.09Å; L116-T197 HydrophobicContact CD2-CG2 3.96Å; G193-T197 PolarHBondContact O-N 3.09Å; G193-T197 PolarHBondContact O-OG1 2.93Å; L194-T197 PolarHBondContact O-N 2.94Å; T197-L200 PolarHBondContact O-N 3.21Å; T197-S201 PolarHBondContact O-N 3.26Å
198F97.5Very high96.2Very high14 Ų1425.9 Ų25.96%0.06114%0.141CC..Hα-helixtrans-57.9-50.3172.2162.3-105.8000111.3Y74 L116 Y117 L120 L194 F195 L200 S201 L202Y74-F198 WeakPolarHBondContact OH-CE2 3.31Å; L116-F198 HydrophobicContact CB-CB 4.29Å; L116-F198 HydrophobicContact CB-CD2 4.41Å; Y117-F198 HydrophobicContact CD2-CD2 4.49Å; Y117-F198 AromaticContact CD2-CE2 3.71Å; Y117-F198 HydrophobicContact CD2-CE2 3.71Å; Y117-F198 AromaticContact CD2-CZ 3.78Å; Y117-F198 HydrophobicContact CD2-CZ 3.78Å; Y117-F198 HydrophobicContact CG-CE2 4.21Å; L120-F198 HydrophobicContact CD2-CB 4.04Å; L120-F198 HydrophobicContact CD2-CD1 3.67Å; L120-F198 HydrophobicContact CD2-CE1 4.37Å; L120-F198 HydrophobicContact CD2-CG 3.91Å; L194-F198 WeakPolarHBondContact O-CB 3.46Å; L194-F198 PolarHBondContact O-N 3.13Å; F195-F198 PolarHBondContact O-N 3.42Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 2.96Å; F198-S201 PolarHBondContact O-N 2.71Å; F198-S201 PolarHBondContact O-OG 3.28Å; F198-L202 HydrophobicContact CE1-CD2 4.49Å; F198-L202 HydrophobicContact CZ-CD2 4.14Å; F198-L202 PolarHBondContact O-N 3.23Å
199L97.4Very high96.1Very high5 Ų526.5 Ų26.53%0.02615%0.146CC..Hα-helixtrans-60.7-41.2-179.3-175.161.3000112.1F195 I196 L202 C203 L271 Y274 L275F195-L199 WeakPolarHBondContact O-CB 3.26Å; F195-L199 PolarHBondContact O-N 3.41Å; I196-L199 PolarHBondContact O-N 2.86Å; L199-L202 PolarHBondContact O-N 3.29Å; L199-C203 PolarHBondContact O-N 3.29Å; L199-C203 PolarHBondContact O-SG 2.7Å; L199-C203 VanDerWaalsContact O-SG 3.4Å; L199-L271 HydrophobicContact CD1-CD2 3.73Å; L199-Y274 HydrophobicContact CD1-CD1 4Å; L199-Y274 HydrophobicContact CD1-CE1 4.41Å; L199-Y274 HydrophobicContact CD2-CD1 3.62Å; L199-Y274 HydrophobicContact CD2-CE1 3.9Å; L199-Y274 HydrophobicContact CG-CD1 4.49Å; L199-L275 HydrophobicContact CD2-CB 3.99Å; L199-L275 HydrophobicContact CD2-CD1 3.78Å; L199-L275 HydrophobicContact CD2-CG 4.49Å; L199-L275 HydrophobicContact CG-CB 4.32Å; L199-L275 HydrophobicContact CG-CD1 4.05Å
200L97Very high96.2Very high88 Ų8828.1 Ų28.146%0.46115%0.154SC..Hα-helixtrans-63.7-45.4174.9-179.162.6000111.6I196 T197 F198 L202 C203 L204 L275I196-L200 WeakPolarHBondContact O-CB 3.42Å; I196-L200 PolarHBondContact O-N 2.92Å; T197-L200 PolarHBondContact O-N 3.21Å; F198-L200 VanDerWaalsContact C-N 3.33Å; F198-L200 PolarHBondContact O-N 2.96Å; L200-L202 VanDerWaalsContact C-N 3.27Å; L200-L202 PolarHBondContact O-N 2.92Å; L200-C203 WeakPolarHBondContact O-CB 3.16Å; L200-C203 PolarHBondContact O-N 3.42Å; L200-L204 HydrophobicContact CG-CD1 4.3Å; L200-L204 WeakPolarHBondContact O-CG 3.12Å; L200-L204 PolarHBondContact O-N 3.33Å; L200-L275 HydrophobicContact CD1-CD2 4.16Å
201S97.1Very high96.2Very high13 Ų1331.5 Ų31.59%0.09117%0.165CC..Hα-helixtrans-61.6-36.717775.50000112.3N113 L116 T197 F198 L204 M205N113-S201 PolarHBondContact ND2-OG 3.34Å; L116-S201 WeakPolarHBondContact CD1-OG 3.48Å; T197-S201 PolarHBondContact O-N 3.26Å; F198-S201 PolarHBondContact O-N 2.71Å; F198-S201 PolarHBondContact O-OG 3.28Å; S201-L204 PolarHBondContact O-N 2.84Å; S201-M205 WeakPolarHBondContact O-CB 2.95Å; S201-M205 PolarHBondContact O-N 3.03Å
202L96.8Very high96.1Very high19 Ų1931.4 Ų31.410%0.09916%0.164CC..Hα-helixtrans-65.9-44.2176.5-18058.5000111.1N113 F198 L199 L200 M205 I206 L271N113-L202 PolarHBondContact ND2-N 3.42Å; F198-L202 HydrophobicContact CE1-CD2 4.49Å; F198-L202 HydrophobicContact CZ-CD2 4.14Å; F198-L202 PolarHBondContact O-N 3.23Å; L199-L202 PolarHBondContact O-N 3.29Å; L200-L202 VanDerWaalsContact C-N 3.27Å; L200-L202 PolarHBondContact O-N 2.92Å; L202-M205 HydrophobicContact CD1-CE 3.57Å; L202-M205 PolarHBondContact O-N 3.44Å; L202-I206 HydrophobicContact CD1-CD1 3.92Å; L202-I206 HydrophobicContact CD1-CG1 4.43Å; L202-I206 HydrophobicContact CG-CD1 4.12Å; L202-I206 WeakPolarHBondContact O-CG1 3.41Å; L202-I206 PolarHBondContact O-N 2.82Å; L202-L271 HydrophobicContact CD2-CD1 4.08Å; L202-L271 HydrophobicContact CD2-CD2 4.05Å; L202-L271 HydrophobicContact CG-CD1 3.99Å
203C96.6Very high96.1Very high8 Ų831.2 Ų31.25%0.05416%0.163CC..Hα-helixtrans-58.5-49.1173.4-72.10000111.5L199 L200 M205 I206 V207L199-C203 PolarHBondContact O-N 3.29Å; L199-C203 PolarHBondContact O-SG 2.7Å; L199-C203 VanDerWaalsContact O-SG 3.4Å; L200-C203 WeakPolarHBondContact O-CB 3.16Å; L200-C203 PolarHBondContact O-N 3.42Å; C203-M205 PolarHBondContact O-N 2.96Å; C203-I206 PolarHBondContact O-N 3.05Å; C203-V207 WeakPolarHBondContact O-CB 3.37Å; C203-V207 VanDerWaalsContact O-CG2 3.29Å; C203-V207 WeakPolarHBondContact O-CG2 3.34Å; C203-V207 PolarHBondContact O-N 3.36Å
204L95.2Very high96.1Very high102 Ų10234 Ų3453%0.53418%0.182SC..Hα-helixtrans-61.8-42.5180-70.1173.1000112.1L200 S201 I206 V207 N208L200-L204 HydrophobicContact CG-CD1 4.3Å; L200-L204 WeakPolarHBondContact O-CG 3.12Å; L200-L204 PolarHBondContact O-N 3.33Å; S201-L204 PolarHBondContact O-N 2.84Å; L204-I206 PolarHBondContact O-N 3.23Å; L204-V207 PolarHBondContact O-N 2.76Å; L204-N208 VanDerWaalsContact O-CB 3.31Å; L204-N208 WeakPolarHBondContact O-CB 3.35Å; L204-N208 PolarHBondContact O-N 3.05Å
205M95.2Very high96Very high8 Ų833.7 Ų33.74%0.03918%0.178CC..Hα-helixtrans-61.7-43.8177.2-178.7-178.671.300111.8L78 C109 L110 N113 S201 L202 C203 N208 A209L78-M205 HydrophobicContact CD2-CE 3.38Å; L78-M205 HydrophobicContact CD2-SD 4.42Å; C109-M205 HydrophobicContact CB-CB 4.09Å; C109-M205 HydrophobicContact CB-CG 4.04Å; L110-M205 HydrophobicContact CD1-SD 4.43Å; N113-M205 HydrophobicContact CB-CE 4.39Å; N113-M205 HydrophobicContact CB-SD 3.85Å; N113-M205 WeakPolarHBondContact OD1-CE 3.32Å; S201-M205 WeakPolarHBondContact O-CB 2.95Å; S201-M205 PolarHBondContact O-N 3.03Å; L202-M205 HydrophobicContact CD1-CE 3.57Å; L202-M205 PolarHBondContact O-N 3.44Å; C203-M205 PolarHBondContact O-N 2.96Å; M205-N208 PolarHBondContact O-N 3.14Å; M205-A209 WeakPolarHBondContact O-CB 3.48Å; M205-A209 PolarHBondContact O-N 3.09Å
206I95.7Very high95.9Very high20 Ų2033.5 Ų33.510%0.10318%0.176CC..Hα-helixtrans-68.6-41.5178.3-71167.3000111.4L202 C203 L204 N208 A209 L210 L264 V268 L271L202-I206 HydrophobicContact CD1-CD1 3.92Å; L202-I206 HydrophobicContact CD1-CG1 4.43Å; L202-I206 HydrophobicContact CG-CD1 4.12Å; L202-I206 WeakPolarHBondContact O-CG1 3.41Å; L202-I206 PolarHBondContact O-N 2.82Å; C203-I206 PolarHBondContact O-N 3.05Å; L204-I206 PolarHBondContact O-N 3.23Å; I206-N208 VanDerWaalsContact C-N 3.33Å; I206-N208 PolarHBondContact O-N 3Å; I206-A209 PolarHBondContact O-N 2.79Å; I206-L210 WeakPolarHBondContact O-CB 3.35Å; I206-L210 PolarHBondContact O-N 3.32Å; I206-L264 HydrophobicContact CG1-CD2 4.39Å; I206-L264 HydrophobicContact CG2-CB 4.39Å; I206-L264 HydrophobicContact CG2-CD2 4Å; I206-V268 HydrophobicContact CG2-CB 3.74Å; I206-V268 HydrophobicContact CG2-CG2 4.11Å; I206-L271 HydrophobicContact CD1-CD1 3.27Å
207V95.9Very high95.8Very high73 Ų7333.7 Ų33.744%0.44218%0.178SC..Hα-helixtrans-60.7-44.4174.9169.20000110.7C203 L204 L210 W211 V268C203-V207 WeakPolarHBondContact O-CB 3.37Å; C203-V207 VanDerWaalsContact O-CG2 3.29Å; C203-V207 WeakPolarHBondContact O-CG2 3.34Å; C203-V207 PolarHBondContact O-N 3.36Å; L204-V207 PolarHBondContact O-N 2.76Å; V207-L210 PolarHBondContact O-N 3.39Å; V207-W211 WeakPolarHBondContact O-CB 3.39Å; V207-W211 PolarHBondContact O-N 3.2Å; V207-V268 HydrophobicContact CG2-CG2 3.69Å
208N94.3Very high95.7Very high18 Ų1838.5 Ų38.510%0.09619%0.192CC..Hα-helixtrans-61.5-45.9175.7-179.268.1000111.7L105 L204 M205 I206 L210 W211 L212L105-N208 VanDerWaalsContact CD2-OD1 3.24Å; L105-N208 WeakPolarHBondContact CD2-OD1 3.31Å; L204-N208 VanDerWaalsContact O-CB 3.31Å; L204-N208 WeakPolarHBondContact O-CB 3.35Å; L204-N208 PolarHBondContact O-N 3.05Å; M205-N208 PolarHBondContact O-N 3.14Å; I206-N208 VanDerWaalsContact C-N 3.33Å; I206-N208 PolarHBondContact O-N 3Å; N208-L210 VanDerWaalsContact C-N 3.35Å; N208-L210 PolarHBondContact O-N 3.48Å; N208-W211 PolarHBondContact O-N 2.9Å; N208-L212 WeakPolarHBondContact O-CG 3.43Å; N208-L212 PolarHBondContact O-N 2.98Å
209A95.6Very high95.5Very high13 Ų1338.9 Ų38.911%0.10719%0.194CC..Hα-helixtrans-59.6-45.4175.900000111.4M205 I206 W211 L212 N213 L264M205-A209 WeakPolarHBondContact O-CB 3.48Å; M205-A209 PolarHBondContact O-N 3.09Å; I206-A209 PolarHBondContact O-N 2.79Å; A209-W211 PolarHBondContact O-N 3.45Å; A209-L212 PolarHBondContact O-N 3.28Å; A209-N213 PolarHBondContact O-N 3.38Å; A209-N213 PolarHBondContact O-ND2 3.49Å; A209-L264 HydrophobicContact CB-CD1 4Å
210L96.1Very high95.4Very high34 Ų3439.9 Ų39.918%0.17820%0.198CC..Hα-helixtrans-61.5-44.6177.9-176.761.3000111.7I206 V207 N208 L212 N213 C214 T261 L264 I265 V268I206-L210 WeakPolarHBondContact O-CB 3.35Å; I206-L210 PolarHBondContact O-N 3.32Å; V207-L210 PolarHBondContact O-N 3.39Å; N208-L210 VanDerWaalsContact C-N 3.35Å; N208-L210 PolarHBondContact O-N 3.48Å; L210-L212 PolarHBondContact O-N 3.46Å; L210-N213 PolarHBondContact O-N 3.39Å; L210-C214 PolarHBondContact O-N 2.85Å; L210-C214 PolarHBondContact O-SG 3.4Å; L210-C214 VanDerWaalsContact O-SG 3.37Å; L210-T261 HydrophobicContact CD1-CG2 3.82Å; L210-L264 HydrophobicContact CD1-CB 4.43Å; L210-I265 HydrophobicContact CD1-CD1 4.4Å; L210-I265 HydrophobicContact CD1-CG1 3.8Å; L210-I265 HydrophobicContact CD2-CG1 4.02Å; L210-V268 HydrophobicContact CD2-CG1 4.46Å
211W95.1Very high95.3Very high122 Ų12235.9 Ų35.946%0.46218%0.178SC..Hα-helixtrans-58.9-46.2176.2177.480.2000111.9N102 V207 N208 A209 N213 C214 R215N102-W211 WeakPolarHBondContact OD1-CZ3 3.49Å; V207-W211 WeakPolarHBondContact O-CB 3.39Å; V207-W211 PolarHBondContact O-N 3.2Å; N208-W211 PolarHBondContact O-N 2.9Å; A209-W211 PolarHBondContact O-N 3.45Å; W211-N213 VanDerWaalsContact C-N 3.35Å; W211-N213 PolarHBondContact O-N 2.87Å; W211-C214 PolarHBondContact O-N 3.17Å; W211-R215 VanDerWaalsContact O-CB 3.24Å; W211-R215 WeakPolarHBondContact O-CB 3.44Å; W211-R215 PolarHBondContact O-N 2.9Å
212L94.6Very high95.2Very high0 Ų038 Ų380%019%0.19CC..Hα-helixtrans-60.7-41.9176.7-70.4172.4000112.3L85 V89 L93 N102 N208 A209 L210 R215 M216L85-L212 HydrophobicContact CD1-CB 4.06Å; L85-L212 HydrophobicContact CD1-CD1 4.1Å; L85-L212 HydrophobicContact CD2-CD1 4.12Å; L85-L212 HydrophobicContact CG-CD1 4.48Å; V89-L212 HydrophobicContact CG1-CB 4.19Å; V89-L212 WeakPolarHBondContact CG1-O 3.36Å; L93-L212 HydrophobicContact CD1-CB 4.42Å; L93-L212 HydrophobicContact CD1-CD2 3.79Å; N102-L212 HydrophobicContact CB-CD2 3.74Å; N208-L212 WeakPolarHBondContact O-CG 3.43Å; N208-L212 PolarHBondContact O-N 2.98Å; A209-L212 PolarHBondContact O-N 3.28Å; L210-L212 PolarHBondContact O-N 3.46Å; L212-R215 PolarHBondContact O-N 2.9Å; L212-M216 WeakPolarHBondContact O-CB 3.39Å; L212-M216 PolarHBondContact O-N 2.96Å
213N95.1Very high95.1Very high0 Ų041.6 Ų41.60%021%0.206CC..Hα-helixtrans-62.9-50.9177.2-82.3-95.9000111.4A209 L210 W211 R215 M216 L217 V257 M260A209-N213 PolarHBondContact O-N 3.38Å; A209-N213 PolarHBondContact O-ND2 3.49Å; L210-N213 PolarHBondContact O-N 3.39Å; W211-N213 VanDerWaalsContact C-N 3.35Å; W211-N213 PolarHBondContact O-N 2.87Å; N213-R215 VanDerWaalsContact C-N 3.31Å; N213-R215 PolarHBondContact O-N 3.42Å; N213-M216 PolarHBondContact O-N 3.4Å; N213-L217 WeakPolarHBondContact O-CG 3.49Å; N213-L217 PolarHBondContact O-N 3.19Å; N213-V257 HydrophobicContact CB-CG1 4.46Å; N213-V257 VanDerWaalsContact OD1-CG1 3.22Å; N213-V257 WeakPolarHBondContact OD1-CG1 3.22Å; N213-M260 WeakPolarHBondContact ND2-CE 3.29Å; N213-M260 WeakPolarHBondContact OD1-CE 3.33Å
214C94.9Very high94.9Very high64 Ų6445.1 Ų45.143%0.43222%0.222SC..Hα-helixtrans-61.6-41.2178.6-67.60000111.7L210 W211 L217 Y218L210-C214 PolarHBondContact O-N 2.85Å; L210-C214 PolarHBondContact O-SG 3.4Å; L210-C214 VanDerWaalsContact O-SG 3.37Å; W211-C214 PolarHBondContact O-N 3.17Å; C214-L217 PolarHBondContact O-N 3.32Å; C214-Y218 WeakPolarHBondContact O-CB 3.35Å; C214-Y218 PolarHBondContact O-N 3Å
215R94.4Very high94.8Very high39 Ų3944.5 Ų44.515%0.14722%0.219CC..Hα-helixtrans-62.9-42.8177.4-174.6172.5-177.4-70.5-12.7111.8L93 S97 E100 W211 L212 N213 Y218 L219L93-R215 HydrophobicContact CD2-CG 4.25Å; S97-R215 PolarHBondContact OG-NH1 2.89Å; S97-R215 PolarHBondContact OG-NH2 2.65Å; E100-R215 VanDerWaalsContact CD-CZ 3.44Å; E100-R215 IonicContact OE1-CZ 3.9Å; E100-R215 IonicContact OE1-NE 3.56Å; E100-R215 IonicContact OE1-NH2 2.74Å; E100-R215 PolarHBondContact OE1-NH2 3.08Å; E100-R215 IonicContact OE2-CZ 3.16Å; E100-R215 IonicContact OE2-NE 3.46Å; E100-R215 PolarHBondContact OE2-NE 3.32Å; E100-R215 VanDerWaalsContact OE2-NE 3.16Å; E100-R215 IonicContact OE2-NH1 2.68Å; E100-R215 PolarHBondContact OE2-NH1 3.47Å; E100-R215 IonicContact OE2-NH2 3.24Å; E100-R215 PolarHBondContact OE2-NH2 2.9Å; W211-R215 VanDerWaalsContact O-CB 3.24Å; W211-R215 WeakPolarHBondContact O-CB 3.44Å; W211-R215 PolarHBondContact O-N 2.9Å; L212-R215 PolarHBondContact O-N 2.9Å; N213-R215 VanDerWaalsContact C-N 3.31Å; N213-R215 PolarHBondContact O-N 3.42Å; R215-Y218 PolarHBondContact O-N 2.97Å; R215-L219 HydrophobicContact CG-CD1 4.32Å; R215-L219 VanDerWaalsContact NH1-CD1 3.29Å; R215-L219 WeakPolarHBondContact O-CG 3.38Å; R215-L219 PolarHBondContact O-N 3.44Å
216M94.8Very high94.7Very high0 Ų044.8 Ų44.80%022%0.221CC..Hα-helixtrans-62.8-48.5177.5-175.8-81-75.600111.9V89 V92 L93 L212 N213 Y218 L219 F220 V257V89-M216 HydrophobicContact CG1-CB 3.67Å; V89-M216 HydrophobicContact CG1-CG 4.13Å; V89-M216 HydrophobicContact CG2-CE 4.16Å; V92-M216 HydrophobicContact CB-CG 3.72Å; V92-M216 HydrophobicContact CB-SD 4.11Å; V92-M216 HydrophobicContact CG1-CG 3.7Å; V92-M216 HydrophobicContact CG1-SD 3.82Å; V92-M216 HydrophobicContact CG2-SD 4.48Å; L93-M216 HydrophobicContact CD2-CB 3.7Å; L93-M216 HydrophobicContact CD2-CG 4.23Å; L93-M216 HydrophobicContact CG-CB 3.89Å; L93-M216 HydrophobicContact CG-CG 4.22Å; L212-M216 WeakPolarHBondContact O-CB 3.39Å; L212-M216 PolarHBondContact O-N 2.96Å; N213-M216 PolarHBondContact O-N 3.4Å; M216-Y218 VanDerWaalsContact C-N 3.28Å; M216-Y218 PolarHBondContact O-N 2.92Å; M216-L219 PolarHBondContact O-N 3.48Å; M216-F220 WeakPolarHBondContact O-CB 3.41Å; M216-F220 PolarHBondContact O-N 3.07Å; M216-V257 HydrophobicContact CE-CB 4.13Å; M216-V257 HydrophobicContact CE-CG1 3.49Å; M216-V257 VanDerWaalsContact CE-CG1 3.49Å; M216-V257 HydrophobicContact CE-CG2 3.73Å
217L95.5Very high94.6Very high20 Ų2047.8 Ų47.811%0.10523%0.231CC..Hα-helixtrans-60.9-39.2178.5-67.6168.7000112N213 C214 S221 L250 F254 V257 I258N213-L217 WeakPolarHBondContact O-CG 3.49Å; N213-L217 PolarHBondContact O-N 3.19Å; C214-L217 PolarHBondContact O-N 3.32Å; L217-S221 WeakPolarHBondContact O-CB 3.15Å; L217-S221 PolarHBondContact O-N 2.91Å; L217-S221 VanDerWaalsContact O-N 3.1Å; L217-S221 PolarHBondContact O-OG 2.95Å; L217-L250 HydrophobicContact CD2-CD1 4.45Å; L217-L250 HydrophobicContact CD2-CD2 4.29Å; L217-F254 HydrophobicContact CD2-CD2 4.36Å; L217-V257 HydrophobicContact CD1-CG1 4.31Å; L217-V257 HydrophobicContact CD2-CG1 4.16Å; L217-V257 HydrophobicContact CG-CG1 4.23Å; L217-I258 HydrophobicContact CD1-CD1 3.59Å; L217-I258 HydrophobicContact CD2-CD1 3.89Å; L217-I258 HydrophobicContact CG-CD1 4.41Å
218Y94.7Very high94.4Very high149 Ų14950.1 Ų50.158%0.58424%0.237SC*.Hα-helixtrans-63.2-51.7175171.9-103000111.6C214 R215 M216 F220 S221 V222C214-Y218 WeakPolarHBondContact O-CB 3.35Å; C214-Y218 PolarHBondContact O-N 3Å; R215-Y218 PolarHBondContact O-N 2.97Å; M216-Y218 VanDerWaalsContact C-N 3.28Å; M216-Y218 PolarHBondContact O-N 2.92Å; Y218-F220 PolarHBondContact O-N 3.38Å; Y218-S221 PolarHBondContact O-N 3.39Å; Y218-S221 VanDerWaalsContact O-N 3.15Å; Y218-V222 HydrophobicContact CD2-CG2 4.32Å; Y218-V222 HydrophobicContact CE1-CG2 4.16Å; Y218-V222 HydrophobicContact CE2-CG2 3.85Å; Y218-V222 WeakPolarHBondContact O-CG2 3.41Å; Y218-V222 PolarHBondContact O-N 3Å
219L94.6Very high94.3Very high22 Ų2250.9 Ų50.912%0.11525%0.246CC..Hα-helixtrans-63.1-41.1-179-74.4-179.7000112.5L93 Y96 R215 M216 S221 V222 H223L93-L219 HydrophobicContact CD2-CD1 3.87Å; Y96-L219 HydrophobicContact CD2-CB 4.24Å; R215-L219 HydrophobicContact CG-CD1 4.32Å; R215-L219 VanDerWaalsContact NH1-CD1 3.29Å; R215-L219 WeakPolarHBondContact O-CG 3.38Å; R215-L219 PolarHBondContact O-N 3.44Å; M216-L219 PolarHBondContact O-N 3.48Å; L219-S221 VanDerWaalsContact C-N 3.31Å; L219-S221 PolarHBondContact O-N 2.83Å; L219-V222 PolarHBondContact O-N 3.38Å; L219-H223 WeakPolarHBondContact O-CB 3.26Å; L219-H223 PolarHBondContact O-CD2 3.43Å; L219-H223 PolarHBondContact O-N 2.86Å
220F95.3Very high94.1Very high25 Ų2556.3 Ų56.311%0.1127%0.268CS..Hα-helixtrans-57.4-46.3173.6-178.7-96.4000111.2Y96 M216 Y218 V222 H223 E224 L226 L250 T253 F254Y96-F220 HydrophobicContact CE2-CB 4.27Å; Y96-F220 HydrophobicContact CE2-CD2 4.14Å; Y96-F220 WeakPolarHBondContact OH-CD2 3.24Å; M216-F220 WeakPolarHBondContact O-CB 3.41Å; M216-F220 PolarHBondContact O-N 3.07Å; Y218-F220 PolarHBondContact O-N 3.38Å; F220-V222 VanDerWaalsContact C-N 3.3Å; F220-V222 PolarHBondContact O-N 2.69Å; F220-H223 PolarHBondContact O-N 3.17Å; F220-E224 HydrophobicContact CD2-CG 3.95Å; F220-E224 HydrophobicContact CE1-CG 4.32Å; F220-E224 HydrophobicContact CE2-CG 3.67Å; F220-E224 HydrophobicContact CG-CG 4.39Å; F220-E224 HydrophobicContact CZ-CG 3.87Å; F220-E224 WeakPolarHBondContact O-CB 3.42Å; F220-E224 WeakPolarHBondContact O-CG 3.49Å; F220-E224 PolarHBondContact O-N 3.29Å; F220-L226 HydrophobicContact CD1-CD1 3.96Å; F220-L226 HydrophobicContact CE1-CD1 3.83Å; F220-L250 HydrophobicContact CD1-CD2 3.73Å; F220-L250 HydrophobicContact CE1-CD2 4.14Å; F220-T253 HydrophobicContact CE1-CG2 4.23Å; F220-T253 HydrophobicContact CZ-CG2 3.9Å; F220-F254 AromaticContact CD1-CE2 3.78Å; F220-F254 HydrophobicContact CD1-CE2 3.78Å; F220-F254 AromaticContact CD2-CE2 3.77Å; F220-F254 HydrophobicContact CD2-CE2 3.77Å; F220-F254 AromaticContact CD2-CZ 3.87Å; F220-F254 HydrophobicContact CD2-CZ 3.87Å; F220-F254 AromaticContact CE1-CE2 3.78Å; F220-F254 HydrophobicContact CE1-CE2 3.78Å; F220-F254 AromaticContact CE2-CE2 3.79Å; F220-F254 HydrophobicContact CE2-CE2 3.79Å; F220-F254 AromaticContact CE2-CZ 3.79Å; F220-F254 HydrophobicContact CE2-CZ 3.79Å; F220-F254 AromaticContact CG-CE2 3.76Å; F220-F254 HydrophobicContact CG-CE2 3.76Å; F220-F254 HydrophobicContact CG-CZ 4.31Å; F220-F254 AromaticContact CZ-CE2 3.8Å; F220-F254 HydrophobicContact CZ-CE2 3.8Å; F220-F254 HydrophobicContact CZ-CZ 4.16Å
221S94.8Very high93.7Very high5 Ų558.6 Ų58.64%0.03528%0.275CS..Hα-helixtrans-63.5-34.6179.9-540000113.2L217 Y218 L219 L226L217-S221 WeakPolarHBondContact O-CB 3.15Å; L217-S221 PolarHBondContact O-N 2.91Å; L217-S221 VanDerWaalsContact O-N 3.1Å; L217-S221 PolarHBondContact O-OG 2.95Å; Y218-S221 PolarHBondContact O-N 3.39Å; Y218-S221 VanDerWaalsContact O-N 3.15Å; L219-S221 VanDerWaalsContact C-N 3.31Å; L219-S221 PolarHBondContact O-N 2.83Å; S221-L226 PolarHBondContact O-N 3.27Å
222V94.5Very high93.6Very high58 Ų5858.1 Ų58.135%0.35228%0.281SS..Hα-helixtrans-75.8-49.3177.7173.60000111.4Y218 L219 F220 N225Y218-V222 HydrophobicContact CD2-CG2 4.32Å; Y218-V222 HydrophobicContact CE1-CG2 4.16Å; Y218-V222 HydrophobicContact CE2-CG2 3.85Å; Y218-V222 WeakPolarHBondContact O-CG2 3.41Å; Y218-V222 PolarHBondContact O-N 3Å; L219-V222 PolarHBondContact O-N 3.38Å; F220-V222 VanDerWaalsContact C-N 3.3Å; F220-V222 PolarHBondContact O-N 2.69Å; V222-N225 PolarHBondContact O-N 2.92Å; V222-N225 VanDerWaalsContact O-N 3.14Å
223H93.7Very high93.2Very high93 Ų9360.2 Ų60.243%0.43129%0.293SS..Hα-helixtrans-71.1-34.4-174.4-84.4-78000113.6Y96 L219 F220 N225Y96-H223 HydrophobicContact CD1-CB 3.59Å; Y96-H223 AromaticContact CD1-CD2 3.42Å; Y96-H223 VanDerWaalsContact CD1-CD2 3.42Å; Y96-H223 WeakPolarHBondContact CD1-CD2 3.21Å; Y96-H223 AromaticContact CD1-CG 3.33Å; Y96-H223 AromaticContact CD1-ND1 3.83Å; Y96-H223 AromaticContact CD1-NE2 3.97Å; Y96-H223 HydrophobicContact CE1-CB 3.35Å; Y96-H223 AromaticContact CE1-CG 3.68Å; Y96-H223 HydrophobicContact CG-CB 4.34Å; Y96-H223 AromaticContact CG-CD2 3.55Å; Y96-H223 AromaticContact CG-CG 3.96Å; L219-H223 WeakPolarHBondContact O-CB 3.26Å; L219-H223 PolarHBondContact O-CD2 3.43Å; L219-H223 PolarHBondContact O-N 2.86Å; F220-H223 PolarHBondContact O-N 3.17Å; H223-N225 PolarHBondContact O-N 3.38Å; H223-N225 PolarHBondContact O-ND2 2.96Å
224E92.9Very high93Very high82 Ų8266.4 Ų66.438%0.38332%0.321SS..THydrogen-bonded Turntrans-82.55.6174.3-58.3-59.1143.200112.2Y96 F220 L226Y96-E224 PolarHBondContact OH-OE1 2.9Å; F220-E224 HydrophobicContact CD2-CG 3.95Å; F220-E224 HydrophobicContact CE1-CG 4.32Å; F220-E224 HydrophobicContact CE2-CG 3.67Å; F220-E224 HydrophobicContact CG-CG 4.39Å; F220-E224 HydrophobicContact CZ-CG 3.87Å; F220-E224 WeakPolarHBondContact O-CB 3.42Å; F220-E224 WeakPolarHBondContact O-CG 3.49Å; F220-E224 PolarHBondContact O-N 3.29Å; E224-L226 HydrophobicContact CB-CD2 3.85Å; E224-L226 HydrophobicContact CB-CG 4.01Å; E224-L226 PolarHBondContact O-N 2.94Å; E224-L226 VanDerWaalsContact O-N 3.16Å
225N93.6Very high92.9Very high89 Ų8971.7 Ų71.748%0.47633%0.334SS..THydrogen-bonded Turntrans49.739.4-179.3-61.2-71.3000112.9V222 H223 W227 Q228 A229V222-N225 PolarHBondContact O-N 2.92Å; V222-N225 VanDerWaalsContact O-N 3.14Å; H223-N225 PolarHBondContact O-N 3.38Å; H223-N225 PolarHBondContact O-ND2 2.96Å; N225-W227 PolarHBondContact O-N 3.43Å; N225-Q228 HydrophobicContact CB-CB 4.41Å; N225-Q228 PolarHBondContact O-N 2.89Å; N225-Q228 PolarHBondContact O-OE1 2.83Å; N225-Q228 VanDerWaalsContact O-OE1 3.13Å; N225-A229 PolarHBondContact O-N 2.82Å
226L93.3Very high92.7Very high14 Ų1476 Ų767%0.07336%0.36CS..G310 helixtrans-63.1-27.4-175.7-61.3-173.7000111.9F220 S221 E224 Q228 A229 M241 L246 L250F220-L226 HydrophobicContact CD1-CD1 3.96Å; F220-L226 HydrophobicContact CE1-CD1 3.83Å; S221-L226 PolarHBondContact O-N 3.27Å; E224-L226 HydrophobicContact CB-CD2 3.85Å; E224-L226 HydrophobicContact CB-CG 4.01Å; E224-L226 PolarHBondContact O-N 2.94Å; E224-L226 VanDerWaalsContact O-N 3.16Å; L226-Q228 VanDerWaalsContact C-N 3.26Å; L226-Q228 PolarHBondContact O-N 3.16Å; L226-A229 WeakPolarHBondContact O-CB 3.39Å; L226-A229 PolarHBondContact O-N 2.87Å; L226-M241 WeakPolarHBondContact O-CB 3.32Å; L226-M241 WeakPolarHBondContact O-CE 3.46Å; L226-M241 WeakPolarHBondContact O-CG 3.38Å; L226-L246 HydrophobicContact CB-CD1 3.86Å; L226-L246 HydrophobicContact CD1-CD1 3.53Å; L226-L246 HydrophobicContact CG-CD1 4.36Å; L226-L250 HydrophobicContact CD1-CD2 4.27Å
227W92.2Very high92.7Very high84 Ų8481.3 Ų81.332%0.31838%0.384SS..G310 helixtrans-69.9-23.1175.8-64.9120.9000113.9N225 M241 W243 L246N225-W227 PolarHBondContact O-N 3.43Å; W227-M241 HydrophobicContact CE3-CG 4.47Å; W227-W243 HydrophobicContact CD2-CH2 4.22Å; W227-W243 HydrophobicContact CD2-CZ3 4.04Å; W227-W243 AromaticContact CE2-CH2 3.95Å; W227-W243 AromaticContact CE3-CE3 3.96Å; W227-W243 HydrophobicContact CE3-CE3 3.96Å; W227-W243 AromaticContact CE3-CH2 3.94Å; W227-W243 HydrophobicContact CE3-CH2 3.94Å; W227-W243 AromaticContact CE3-CZ3 3.31Å; W227-W243 HydrophobicContact CE3-CZ3 3.31Å; W227-W243 AromaticContact CH2-CD2 3.62Å; W227-W243 HydrophobicContact CH2-CD2 3.62Å; W227-W243 AromaticContact CH2-CE2 3.86Å; W227-W243 AromaticContact CH2-CE3 3.08Å; W227-W243 HydrophobicContact CH2-CE3 3.08Å; W227-W243 AromaticContact CH2-CH2 3.03Å; W227-W243 HydrophobicContact CH2-CH2 3.03Å; W227-W243 AromaticContact CH2-CZ2 3.58Å; W227-W243 HydrophobicContact CH2-CZ2 3.58Å; W227-W243 AromaticContact CH2-CZ3 2.84Å; W227-W243 HydrophobicContact CH2-CZ3 2.84Å; W227-W243 HydrophobicContact CZ2-CE3 4.21Å; W227-W243 AromaticContact CZ2-CH2 3.32Å; W227-W243 HydrophobicContact CZ2-CH2 3.32Å; W227-W243 AromaticContact CZ2-CZ2 3.87Å; W227-W243 HydrophobicContact CZ2-CZ2 3.87Å; W227-W243 AromaticContact CZ2-CZ3 3.61Å; W227-W243 HydrophobicContact CZ2-CZ3 3.61Å; W227-W243 AromaticContact CZ3-CD2 3.97Å; W227-W243 HydrophobicContact CZ3-CD2 3.97Å; W227-W243 AromaticContact CZ3-CE3 2.99Å; W227-W243 HydrophobicContact CZ3-CE3 2.99Å; W227-W243 AromaticContact CZ3-CH2 3.46Å; W227-W243 HydrophobicContact CZ3-CH2 3.46Å; W227-W243 VanDerWaalsContact CZ3-CH2 3.46Å; W227-W243 HydrophobicContact CZ3-CZ2 4.35Å; W227-W243 AromaticContact CZ3-CZ3 2.74Å; W227-W243 HydrophobicContact CZ3-CZ3 2.74Å; W227-L246 HydrophobicContact CD2-CD2 4.47Å; W227-L246 HydrophobicContact CE3-CD2 4.31Å; W227-L246 HydrophobicContact CH2-CB 4.19Å; W227-L246 HydrophobicContact CH2-CD2 3.01Å; W227-L246 HydrophobicContact CH2-CG 4.15Å; W227-L246 HydrophobicContact CZ2-CD2 3.25Å; W227-L246 HydrophobicContact CZ3-CB 4.01Å; W227-L246 HydrophobicContact CZ3-CD2 3.53Å; W227-L246 HydrophobicContact CZ3-CG 4.31Å
228Q92.1Very high92.5Very high122 Ų12286.1 Ų86.157%0.5741%0.409SS*.G310 helixtrans-97.8-3176.1-6083.6-5.400111.9N225 L226N225-Q228 HydrophobicContact CB-CB 4.41Å; N225-Q228 PolarHBondContact O-N 2.89Å; N225-Q228 PolarHBondContact O-OE1 2.83Å; N225-Q228 VanDerWaalsContact O-OE1 3.13Å; L226-Q228 VanDerWaalsContact C-N 3.26Å; L226-Q228 PolarHBondContact O-N 3.16Å
229A92.2Very high92.3Very high34 Ų3481.8 Ų81.828%0.28139%0.394SS..  trans-77154.217800000111.5N225 L226 M241N225-A229 PolarHBondContact O-N 2.82Å; L226-A229 WeakPolarHBondContact O-CB 3.39Å; L226-A229 PolarHBondContact O-N 2.87Å; A229-M241 HydrophobicContact CB-CE 3.95Å; A229-M241 WeakPolarHBondContact O-CB 3.44Å; A229-M241 PolarHBondContact O-N 2.97Å
230H91.8Very high92.2Very high126 Ų12685 Ų8558%0.58342%0.416SS*.EExtended strand (participates in β ladder)trans-120151.7175.4-60.4-84.5000110.1I238 H239H230-I238 HydrophobicContact CB-CG2 3.54Å; H230-H239 WeakPolarHBondContact CA-O 3.42Å
231Y88.8Confident92Very high82 Ų8285.1 Ų85.132%0.32242%0.417SS..EExtended strand (participates in β ladder)trans-119.8153.1172.469.3-88.8000111H239 P240 T245Y231-H239 HydrophobicContact CD1-CB 4.1Å; Y231-H239 HydrophobicContact CD2-CB 4.25Å; Y231-H239 HydrophobicContact CE1-CB 3.54Å; Y231-H239 HydrophobicContact CE2-CB 3.71Å; Y231-H239 HydrophobicContact CG-CB 4.44Å; Y231-H239 PolarHBondContact N-O 3.38Å; Y231-H239 PolarHBondContact O-N 3.43Å; Y231-P240 WeakPolarHBondContact CE1-O 3.43Å; Y231-T245 HydrophobicContact CD1-CG2 3.89Å; Y231-T245 HydrophobicContact CE1-CG2 4.09Å; Y231-T245 HydrophobicContact CG-CG2 4.34Å
232L91Very high91.8Very high112 Ų11288 Ų8859%0.58643%0.432SS*.EExtended strand (participates in β ladder)trans-98.1134.1174.6-65.8168.7000109Q237 I238L232-Q237 WeakPolarHBondContact CA-O 3.45Å; L232-I238 HydrophobicContact CD2-CG1 3.7Å
233D88.1Confident91.7Very high45 Ų4594.3 Ų94.324%0.24145%0.45CS..  trans-85.9-174.2170.97012.3000112.2Y235 D236 Q237 H239D233-Y235 PolarHBondContact O-N 2.97Å; D233-Y235 VanDerWaalsContact OD1-C 3.3Å; D233-Y235 WeakPolarHBondContact OD1-CA 3.16Å; D233-Y235 PolarHBondContact OD1-N 2.87Å; D233-D236 PolarHBondContact O-N 3.24Å; D233-D236 PolarHBondContact OD1-N 2.9Å; D233-Q237 PolarHBondContact N-O 3.44Å; D233-Q237 VanDerWaalsContact N-O 3.15Å; D233-Q237 WeakPolarHBondContact OD1-CB 3.45Å; D233-Q237 PolarHBondContact OD1-N 3.35Å; D233-Q237 WeakPolarHBondContact OD2-CB 3.24Å; D233-H239 IonicContact OD2-CD2 3.65Å; D233-H239 IonicContact OD2-CE1 3.97Å; D233-H239 IonicContact OD2-NE2 2.84Å; D233-H239 PolarHBondContact OD2-NE2 3.19Å
234E90Very high91.6Very high129 Ų12994.3 Ų94.360%0.60345%0.453SS*.THydrogen-bonded Turntrans-65.9-12.5179.1-61-173156.100113.8M1M1-E234 HydrophobicContact CE-CG 3.97Å; M1-E234 WeakPolarHBondContact CE-OE1 2.79Å; M1-E234 WeakPolarHBondContact CG-OE1 3.29Å
235Y93.8Very high91.5Very high176 Ų17691.7 Ų91.769%0.6944%0.442SS*.THydrogen-bonded Turntrans-110.618.7-179.8-55-70000112.1D233 Q237D233-Y235 PolarHBondContact O-N 2.97Å; D233-Y235 VanDerWaalsContact OD1-C 3.3Å; D233-Y235 WeakPolarHBondContact OD1-CA 3.16Å; D233-Y235 PolarHBondContact OD1-N 2.87Å; Y235-Q237 PolarHBondContact O-N 3.04Å
236D90.2Very high91.4Very high130 Ų13088.1 Ų88.170%0.69542%0.423SS*.  trans56.925-177.6-65.3-46.7000114.1D233D233-D236 PolarHBondContact O-N 3.24Å; D233-D236 PolarHBondContact OD1-N 2.9Å
237Q92.9Very high91.3Very high111 Ų11191.8 Ų91.852%0.51944%0.442SS..  trans-85.1136.8174.9-54.9-172.8-4.900110.8L232 D233 Y235 H239L232-Q237 WeakPolarHBondContact CA-O 3.45Å; D233-Q237 PolarHBondContact N-O 3.44Å; D233-Q237 VanDerWaalsContact N-O 3.15Å; D233-Q237 WeakPolarHBondContact OD1-CB 3.45Å; D233-Q237 PolarHBondContact OD1-N 3.35Å; D233-Q237 WeakPolarHBondContact OD2-CB 3.24Å; Y235-Q237 PolarHBondContact O-N 3.04Å; Q237-H239 PolarHBondContact O-CD2 3.47Å
238I92.3Very high91.3Very high120 Ų12090.5 Ų90.562%0.61544%0.44SS*.EExtended strand (participates in β ladder)trans-85.8116.2-179-58.4175000109.1H230 L232H230-I238 HydrophobicContact CB-CG2 3.54Å; L232-I238 HydrophobicContact CD2-CG1 3.7Å
239H90Very high91.3Very high59 Ų5988 Ų8827%0.27343%0.428SS..EExtended strand (participates in β ladder)trans-111.8141.6175.1-66-84.5000110.9H230 Y231 D233 Q237H230-H239 WeakPolarHBondContact CA-O 3.42Å; Y231-H239 HydrophobicContact CD1-CB 4.1Å; Y231-H239 HydrophobicContact CD2-CB 4.25Å; Y231-H239 HydrophobicContact CE1-CB 3.54Å; Y231-H239 HydrophobicContact CE2-CB 3.71Å; Y231-H239 HydrophobicContact CG-CB 4.44Å; Y231-H239 PolarHBondContact N-O 3.38Å; Y231-H239 PolarHBondContact O-N 3.43Å; D233-H239 IonicContact OD2-CD2 3.65Å; D233-H239 IonicContact OD2-CE1 3.97Å; D233-H239 IonicContact OD2-NE2 2.84Å; D233-H239 PolarHBondContact OD2-NE2 3.19Å; Q237-H239 PolarHBondContact O-CD2 3.47Å
240P92.7Very high91.3Very high90 Ų9087 Ų8758%0.58442%0.418SS*.EExtended strand (participates in β ladder)trans-69.5151.7173.630.8-34.5000111Y231 D242Y231-P240 WeakPolarHBondContact CE1-O 3.43Å; P240-D242 PolarHBondContact O-N 3.18Å
241M91.2Very high91.4Very high27 Ų2783.8 Ų83.813%0.13340%0.402CS..  trans-61.3121174.7-169.274.472.400111.3L226 W227 A229 T245 L246L226-M241 WeakPolarHBondContact O-CB 3.32Å; L226-M241 WeakPolarHBondContact O-CE 3.46Å; L226-M241 WeakPolarHBondContact O-CG 3.38Å; W227-M241 HydrophobicContact CE3-CG 4.47Å; A229-M241 HydrophobicContact CB-CE 3.95Å; A229-M241 WeakPolarHBondContact O-CB 3.44Å; A229-M241 PolarHBondContact O-N 2.97Å; M241-T245 HydrophobicContact SD-CG2 3.64Å; M241-L246 HydrophobicContact CG-CB 4.21Å; M241-L246 HydrophobicContact SD-CB 4.34Å
242D90.7Very high91.6Very high65 Ų6584.7 Ų84.735%0.34841%0.41SS..  trans-105173.3171.178.4-48.8000111.4P240 L244 T245 L246P240-D242 PolarHBondContact O-N 3.18Å; D242-L244 VanDerWaalsContact C-N 3.28Å; D242-L244 PolarHBondContact O-N 3.45Å; D242-L244 WeakPolarHBondContact OD2-CB 3.47Å; D242-L244 PolarHBondContact OD2-N 2.83Å; D242-T245 PolarHBondContact O-N 3.36Å; D242-T245 WeakPolarHBondContact OD1-CB 3.36Å; D242-T245 PolarHBondContact OD1-N 3.33Å; D242-T245 PolarHBondContact OD1-OG1 3.3Å; D242-L246 PolarHBondContact O-N 2.9Å
243W92.1Very high91.7Very high190 Ų19082.1 Ų82.172%0.7240%0.399SS*.Hα-helixtrans-61.1-37.4-176.8-96.2-151.7000112.5W227 L247W227-W243 HydrophobicContact CD2-CH2 4.22Å; W227-W243 HydrophobicContact CD2-CZ3 4.04Å; W227-W243 AromaticContact CE2-CH2 3.95Å; W227-W243 AromaticContact CE3-CE3 3.96Å; W227-W243 HydrophobicContact CE3-CE3 3.96Å; W227-W243 AromaticContact CE3-CH2 3.94Å; W227-W243 HydrophobicContact CE3-CH2 3.94Å; W227-W243 AromaticContact CE3-CZ3 3.31Å; W227-W243 HydrophobicContact CE3-CZ3 3.31Å; W227-W243 AromaticContact CH2-CD2 3.62Å; W227-W243 HydrophobicContact CH2-CD2 3.62Å; W227-W243 AromaticContact CH2-CE2 3.86Å; W227-W243 AromaticContact CH2-CE3 3.08Å; W227-W243 HydrophobicContact CH2-CE3 3.08Å; W227-W243 AromaticContact CH2-CH2 3.03Å; W227-W243 HydrophobicContact CH2-CH2 3.03Å; W227-W243 AromaticContact CH2-CZ2 3.58Å; W227-W243 HydrophobicContact CH2-CZ2 3.58Å; W227-W243 AromaticContact CH2-CZ3 2.84Å; W227-W243 HydrophobicContact CH2-CZ3 2.84Å; W227-W243 HydrophobicContact CZ2-CE3 4.21Å; W227-W243 AromaticContact CZ2-CH2 3.32Å; W227-W243 HydrophobicContact CZ2-CH2 3.32Å; W227-W243 AromaticContact CZ2-CZ2 3.87Å; W227-W243 HydrophobicContact CZ2-CZ2 3.87Å; W227-W243 AromaticContact CZ2-CZ3 3.61Å; W227-W243 HydrophobicContact CZ2-CZ3 3.61Å; W227-W243 AromaticContact CZ3-CD2 3.97Å; W227-W243 HydrophobicContact CZ3-CD2 3.97Å; W227-W243 AromaticContact CZ3-CE3 2.99Å; W227-W243 HydrophobicContact CZ3-CE3 2.99Å; W227-W243 AromaticContact CZ3-CH2 3.46Å; W227-W243 HydrophobicContact CZ3-CH2 3.46Å; W227-W243 VanDerWaalsContact CZ3-CH2 3.46Å; W227-W243 HydrophobicContact CZ3-CZ2 4.35Å; W227-W243 AromaticContact CZ3-CZ3 2.74Å; W227-W243 HydrophobicContact CZ3-CZ3 2.74Å; W243-L247 WeakPolarHBondContact O-CB 3.41Å; W243-L247 PolarHBondContact O-N 2.91Å
244L91.2Very high92Very high94 Ų9481.6 Ų81.649%0.49240%0.395SS..Hα-helixtrans-71.5-44.5-179.5-178.760.4000110.7D242 L246 L247 Q248D242-L244 VanDerWaalsContact C-N 3.28Å; D242-L244 PolarHBondContact O-N 3.45Å; D242-L244 WeakPolarHBondContact OD2-CB 3.47Å; D242-L244 PolarHBondContact OD2-N 2.83Å; L244-L246 VanDerWaalsContact C-N 3.35Å; L244-L246 PolarHBondContact O-N 3.47Å; L244-L247 PolarHBondContact O-N 3.47Å; L244-Q248 VanDerWaalsContact O-CG 3.31Å; L244-Q248 WeakPolarHBondContact O-CG 3.44Å; L244-Q248 PolarHBondContact O-N 3.25Å
245T90.6Very high92.2Very high27 Ų2778.4 Ų78.417%0.16639%0.386CS..Hα-helixtrans-65.1-39.1177.5-55.80000111.4Y231 M241 D242 L247 Q248 H249Y231-T245 HydrophobicContact CD1-CG2 3.89Å; Y231-T245 HydrophobicContact CE1-CG2 4.09Å; Y231-T245 HydrophobicContact CG-CG2 4.34Å; M241-T245 HydrophobicContact SD-CG2 3.64Å; D242-T245 PolarHBondContact O-N 3.36Å; D242-T245 WeakPolarHBondContact OD1-CB 3.36Å; D242-T245 PolarHBondContact OD1-N 3.33Å; D242-T245 PolarHBondContact OD1-OG1 3.3Å; T245-L247 PolarHBondContact O-N 2.86Å; T245-Q248 PolarHBondContact O-N 3.47Å; T245-H249 WeakPolarHBondContact O-CB 3.36Å; T245-H249 PolarHBondContact O-N 2.89Å
246L92Very high92.2Very high13 Ų1376.4 Ų76.47%0.06838%0.377CS..Hα-helixtrans-60-47.3173.2178.867.1000111.1L226 W227 M241 D242 L244 Q248 H249 L250L226-L246 HydrophobicContact CB-CD1 3.86Å; L226-L246 HydrophobicContact CD1-CD1 3.53Å; L226-L246 HydrophobicContact CG-CD1 4.36Å; W227-L246 HydrophobicContact CD2-CD2 4.47Å; W227-L246 HydrophobicContact CE3-CD2 4.31Å; W227-L246 HydrophobicContact CH2-CB 4.19Å; W227-L246 HydrophobicContact CH2-CD2 3.01Å; W227-L246 HydrophobicContact CH2-CG 4.15Å; W227-L246 HydrophobicContact CZ2-CD2 3.25Å; W227-L246 HydrophobicContact CZ3-CB 4.01Å; W227-L246 HydrophobicContact CZ3-CD2 3.53Å; W227-L246 HydrophobicContact CZ3-CG 4.31Å; M241-L246 HydrophobicContact CG-CB 4.21Å; M241-L246 HydrophobicContact SD-CB 4.34Å; D242-L246 PolarHBondContact O-N 2.9Å; L244-L246 VanDerWaalsContact C-N 3.35Å; L244-L246 PolarHBondContact O-N 3.47Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 2.94Å; L246-H249 PolarHBondContact O-N 3.42Å; L246-L250 HydrophobicContact CD1-CD1 4.16Å; L246-L250 HydrophobicContact CD1-CD2 4.47Å; L246-L250 HydrophobicContact CD1-CG 4Å; L246-L250 HydrophobicContact CD2-CD1 4.21Å; L246-L250 HydrophobicContact CG-CD1 3.9Å; L246-L250 HydrophobicContact CG-CG 4.15Å; L246-L250 WeakPolarHBondContact O-CG 3.5Å; L246-L250 PolarHBondContact O-N 3.45Å
247L91.4Very high92.4Very high92 Ų9270.2 Ų70.248%0.48234%0.344SS..Hα-helixtrans-60.4-41.3179.7179.661.8000111.5W243 L244 T245 F251W243-L247 WeakPolarHBondContact O-CB 3.41Å; W243-L247 PolarHBondContact O-N 2.91Å; L244-L247 PolarHBondContact O-N 3.47Å; T245-L247 PolarHBondContact O-N 2.86Å; L247-F251 VanDerWaalsContact O-CB 3.31Å; L247-F251 WeakPolarHBondContact O-CB 3.34Å; L247-F251 PolarHBondContact O-N 3.23Å
248Q91.4Very high92.5Very high56 Ų5666.5 Ų66.526%0.26233%0.327SS..Hα-helixtrans-63.2-45.4174.9-69.4177.112.500111.4I7 L244 T245 L246 F251 M252I7-Q248 HydrophobicContact CD1-CB 4.39Å; I7-Q248 HydrophobicContact CD1-CG 3.83Å; L244-Q248 VanDerWaalsContact O-CG 3.31Å; L244-Q248 WeakPolarHBondContact O-CG 3.44Å; L244-Q248 PolarHBondContact O-N 3.25Å; T245-Q248 PolarHBondContact O-N 3.47Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 2.94Å; Q248-F251 PolarHBondContact O-N 2.85Å; Q248-M252 VanDerWaalsContact O-CG 3.31Å; Q248-M252 WeakPolarHBondContact O-CG 3.4Å; Q248-M252 PolarHBondContact O-N 2.96Å
249H92Very high92.5Very high70 Ų7061.8 Ų61.832%0.32431%0.308SS..Hα-helixtrans-59-50.9176.5-18082.6000111.2T245 L246 F251 M252 T253T245-H249 WeakPolarHBondContact O-CB 3.36Å; T245-H249 PolarHBondContact O-N 2.89Å; L246-H249 PolarHBondContact O-N 3.42Å; H249-F251 VanDerWaalsContact C-N 3.3Å; H249-F251 PolarHBondContact O-N 2.94Å; H249-M252 PolarHBondContact O-N 3.21Å; H249-M252 VanDerWaalsContact O-N 3.11Å; H249-T253 PolarHBondContact NE2-OG1 3.36Å; H249-T253 WeakPolarHBondContact O-CB 3.47Å; H249-T253 PolarHBondContact O-N 2.94Å; H249-T253 PolarHBondContact O-OG1 3.36Å
250L93.7Very high92.6Very high13 Ų1359.9 Ų59.97%0.06830%0.299CS..Hα-helixtrans-61.8-36.5178.2-68.1176.9000112.6L217 F220 L226 L246 T253 F254 I258L217-L250 HydrophobicContact CD2-CD1 4.45Å; L217-L250 HydrophobicContact CD2-CD2 4.29Å; F220-L250 HydrophobicContact CD1-CD2 3.73Å; F220-L250 HydrophobicContact CE1-CD2 4.14Å; L226-L250 HydrophobicContact CD1-CD2 4.27Å; L246-L250 HydrophobicContact CD1-CD1 4.16Å; L246-L250 HydrophobicContact CD1-CD2 4.47Å; L246-L250 HydrophobicContact CD1-CG 4Å; L246-L250 HydrophobicContact CD2-CD1 4.21Å; L246-L250 HydrophobicContact CG-CD1 3.9Å; L246-L250 HydrophobicContact CG-CG 4.15Å; L246-L250 WeakPolarHBondContact O-CG 3.5Å; L246-L250 PolarHBondContact O-N 3.45Å; L250-T253 PolarHBondContact O-N 3.35Å; L250-F254 PolarHBondContact O-N 2.91Å; L250-I258 HydrophobicContact CB-CD1 4.37Å
251F93.7Very high92.7Very high59 Ų5956.3 Ų56.326%0.25928%0.276SS..Hα-helixtrans-64.6-38.9174.2-179.4-95.8000112.4I7 L247 Q248 H249 P255 I258I7-F251 HydrophobicContact CD1-CD1 4.08Å; I7-F251 HydrophobicContact CG1-CD1 4.16Å; I7-F251 HydrophobicContact CG1-CE1 4.18Å; L247-F251 VanDerWaalsContact O-CB 3.31Å; L247-F251 WeakPolarHBondContact O-CB 3.34Å; L247-F251 PolarHBondContact O-N 3.23Å; Q248-F251 PolarHBondContact O-N 2.85Å; H249-F251 VanDerWaalsContact C-N 3.3Å; H249-F251 PolarHBondContact O-N 2.94Å; F251-P255 VanDerWaalsContact O-CA 3.22Å; F251-P255 WeakPolarHBondContact O-CA 3.28Å; F251-P255 WeakPolarHBondContact O-CB 3.47Å; F251-P255 WeakPolarHBondContact O-CD 3.47Å; F251-I258 HydrophobicContact CD2-CB 4.07Å; F251-I258 HydrophobicContact CD2-CG2 3.76Å
252M92.5Very high92.8Very high100 Ų10056.4 Ų56.449%0.49328%0.284SS..Hα-helixtrans-73.1-37.8177-67.8-60.6-67.200112.1Y3 Q248 H249Y3-M252 HydrophobicContact CD1-CE 3.94Å; Y3-M252 HydrophobicContact CD1-SD 3.99Å; Y3-M252 HydrophobicContact CE1-CE 3.84Å; Y3-M252 HydrophobicContact CE1-SD 4.44Å; Y3-M252 HydrophobicContact CG-CE 4.47Å; Y3-M252 HydrophobicContact CG-SD 4.47Å; Q248-M252 VanDerWaalsContact O-CG 3.31Å; Q248-M252 WeakPolarHBondContact O-CG 3.4Å; Q248-M252 PolarHBondContact O-N 2.96Å; H249-M252 PolarHBondContact O-N 3.21Å; H249-M252 VanDerWaalsContact O-N 3.11Å
253T93.1Very high92.9Very high58 Ų5858.9 Ų58.936%0.35630%0.296SS..Hα-helixtrans-74.7-42.2-179.9-54.30000111.8F220 H249 L250F220-T253 HydrophobicContact CE1-CG2 4.23Å; F220-T253 HydrophobicContact CZ-CG2 3.9Å; H249-T253 PolarHBondContact NE2-OG1 3.36Å; H249-T253 WeakPolarHBondContact O-CB 3.47Å; H249-T253 PolarHBondContact O-N 2.94Å; H249-T253 PolarHBondContact O-OG1 3.36Å; L250-T253 PolarHBondContact O-N 3.35Å
254F95Very high93Very high34 Ų3451 Ų5115%0.14927%0.268CS..  trans-131.262.9-176.1-57.2-72.3000113.2V92 L217 F220 L250 R256 V257 I258V92-F254 HydrophobicContact CG2-CE1 4.42Å; L217-F254 HydrophobicContact CD2-CD2 4.36Å; F220-F254 AromaticContact CD1-CE2 3.78Å; F220-F254 HydrophobicContact CD1-CE2 3.78Å; F220-F254 AromaticContact CD2-CE2 3.77Å; F220-F254 HydrophobicContact CD2-CE2 3.77Å; F220-F254 AromaticContact CD2-CZ 3.87Å; F220-F254 HydrophobicContact CD2-CZ 3.87Å; F220-F254 AromaticContact CE1-CE2 3.78Å; F220-F254 HydrophobicContact CE1-CE2 3.78Å; F220-F254 AromaticContact CE2-CE2 3.79Å; F220-F254 HydrophobicContact CE2-CE2 3.79Å; F220-F254 AromaticContact CE2-CZ 3.79Å; F220-F254 HydrophobicContact CE2-CZ 3.79Å; F220-F254 AromaticContact CG-CE2 3.76Å; F220-F254 HydrophobicContact CG-CE2 3.76Å; F220-F254 HydrophobicContact CG-CZ 4.31Å; F220-F254 AromaticContact CZ-CE2 3.8Å; F220-F254 HydrophobicContact CZ-CE2 3.8Å; F220-F254 HydrophobicContact CZ-CZ 4.16Å; L250-F254 PolarHBondContact O-N 2.91Å; F254-R256 VanDerWaalsContact C-N 3.28Å; F254-R256 PolarHBondContact O-N 3.43Å; F254-V257 HydrophobicContact CB-CB 3.89Å; F254-V257 HydrophobicContact CB-CG2 3.96Å; F254-V257 PolarHBondContact O-N 3.08Å; F254-V257 VanDerWaalsContact O-N 3.14Å; F254-I258 PolarHBondContact O-N 3.37Å
255P93.9Very high93.2Very high62 Ų6250.1 Ų50.140%0.40326%0.263SS..Hα-helixtrans-60.3-36.6-175.222.4-33.5000113F251 G259F251-P255 VanDerWaalsContact O-CA 3.22Å; F251-P255 WeakPolarHBondContact O-CA 3.28Å; F251-P255 WeakPolarHBondContact O-CB 3.47Å; F251-P255 WeakPolarHBondContact O-CD 3.47Å; P255-G259 PolarHBondContact O-N 3.41Å
256R93.9Very high93.3Very high134 Ų13452.7 Ų52.751%0.50628%0.278SS..Hα-helixtrans-66.1-41.4178.1-65.4-170.3-60.7-83.91.9112.5I84 D88 F254 M260I84-R256 HydrophobicContact CD1-CB 4.4Å; I84-R256 HydrophobicContact CG2-CB 4.37Å; D88-R256 IonicContact OD1-CZ 2.69Å; D88-R256 IonicContact OD1-NE 2.8Å; D88-R256 IonicContact OD1-NH2 2.86Å; D88-R256 PolarHBondContact OD1-NH2 2.84Å; D88-R256 IonicContact OD2-CZ 3.86Å; D88-R256 VanDerWaalsContact OD2-CZ 3.23Å; D88-R256 IonicContact OD2-NE 3.8Å; D88-R256 PolarHBondContact OD2-NE 2.97Å; D88-R256 IonicContact OD2-NH2 3.6Å; D88-R256 PolarHBondContact OD2-NH2 2.88Å; F254-R256 VanDerWaalsContact C-N 3.28Å; F254-R256 PolarHBondContact O-N 3.43Å; R256-M260 VanDerWaalsContact O-CB 3.24Å; R256-M260 WeakPolarHBondContact O-CB 3.42Å; R256-M260 PolarHBondContact O-N 2.91Å
257V94.9Very high93.3Very high0 Ų053.5 Ų53.50%029%0.287CS..Hα-helixtrans-68.3-46.1179.9177.60000110.1D88 V89 N213 M216 L217 F254 M260 T261D88-V257 HydrophobicContact CB-CG2 3.7Å; V89-V257 HydrophobicContact CG2-CG1 4.31Å; V89-V257 HydrophobicContact CG2-CG2 4.13Å; N213-V257 HydrophobicContact CB-CG1 4.46Å; N213-V257 VanDerWaalsContact OD1-CG1 3.22Å; N213-V257 WeakPolarHBondContact OD1-CG1 3.22Å; M216-V257 HydrophobicContact CE-CB 4.13Å; M216-V257 HydrophobicContact CE-CG1 3.49Å; M216-V257 VanDerWaalsContact CE-CG1 3.49Å; M216-V257 HydrophobicContact CE-CG2 3.73Å; L217-V257 HydrophobicContact CD1-CG1 4.31Å; L217-V257 HydrophobicContact CD2-CG1 4.16Å; L217-V257 HydrophobicContact CG-CG1 4.23Å; F254-V257 HydrophobicContact CB-CB 3.89Å; F254-V257 HydrophobicContact CB-CG2 3.96Å; F254-V257 PolarHBondContact O-N 3.08Å; F254-V257 VanDerWaalsContact O-N 3.14Å; V257-M260 PolarHBondContact O-N 2.97Å; V257-T261 WeakPolarHBondContact O-CB 3.25Å; V257-T261 PolarHBondContact O-N 2.85Å; V257-T261 PolarHBondContact O-OG1 3.38Å
258I94Very high93.4Very high34 Ų3449.8 Ų49.817%0.17427%0.268CS..Hα-helixtrans-64.9-43.3177.9-60.1-62.1000110.9L217 L250 F251 F254 T261 G262L217-I258 HydrophobicContact CD1-CD1 3.59Å; L217-I258 HydrophobicContact CD2-CD1 3.89Å; L217-I258 HydrophobicContact CG-CD1 4.41Å; L250-I258 HydrophobicContact CB-CD1 4.37Å; F251-I258 HydrophobicContact CD2-CB 4.07Å; F251-I258 HydrophobicContact CD2-CG2 3.76Å; F254-I258 PolarHBondContact O-N 3.37Å; I258-T261 WeakPolarHBondContact O-CB 3.41Å; I258-T261 PolarHBondContact O-N 3.31Å; I258-G262 PolarHBondContact O-N 3.04Å
259G92.7Very high93.5Very high20 Ų2052.6 Ų52.621%0.20628%0.283CS..Hα-helixtrans-59.2-48174.200000112.5P255 T261 G262 I263P255-G259 PolarHBondContact O-N 3.41Å; G259-T261 PolarHBondContact O-N 3.49Å; G259-G262 PolarHBondContact O-N 3.05Å; G259-I263 WeakPolarHBondContact O-CG1 3.41Å; G259-I263 PolarHBondContact O-N 2.92Å; G259-I263 VanDerWaalsContact O-N 3.12Å
260M93.1Very high93.6Very high19 Ų1955 Ų559%0.09430%0.297CS..Hα-helixtrans-61.6-42.4176.2-173.2176.465.400111.6I84 V89 N213 R256 V257 G262 I263 L264I84-M260 HydrophobicContact CB-CE 4.41Å; I84-M260 HydrophobicContact CB-SD 3.99Å; I84-M260 HydrophobicContact CG2-CE 3.71Å; I84-M260 HydrophobicContact CG2-SD 3.8Å; V89-M260 HydrophobicContact CG2-CE 4.39Å; N213-M260 WeakPolarHBondContact ND2-CE 3.29Å; N213-M260 WeakPolarHBondContact OD1-CE 3.33Å; R256-M260 VanDerWaalsContact O-CB 3.24Å; R256-M260 WeakPolarHBondContact O-CB 3.42Å; R256-M260 PolarHBondContact O-N 2.91Å; V257-M260 PolarHBondContact O-N 2.97Å; M260-G262 PolarHBondContact O-N 3.4Å; M260-I263 PolarHBondContact O-N 3.25Å; M260-L264 HydrophobicContact CE-CD1 4.46Å; M260-L264 HydrophobicContact CG-CD1 3.82Å; M260-L264 HydrophobicContact CG-CG 4.11Å; M260-L264 WeakPolarHBondContact O-CB 3.31Å; M260-L264 VanDerWaalsContact O-CG 3.24Å; M260-L264 WeakPolarHBondContact O-CG 3.42Å; M260-L264 PolarHBondContact O-N 3.31Å; M260-L264 HydrophobicContact SD-CD1 4.43Å
261T94.2Very high93.6Very high16 Ų1655.9 Ų55.910%0.09830%0.301CS..Hα-helixtrans-57.4-47.4177.2-61.20000111.1L210 V257 I258 G259 I263 L264 I265L210-T261 HydrophobicContact CD1-CG2 3.82Å; V257-T261 WeakPolarHBondContact O-CB 3.25Å; V257-T261 PolarHBondContact O-N 2.85Å; V257-T261 PolarHBondContact O-OG1 3.38Å; I258-T261 WeakPolarHBondContact O-CB 3.41Å; I258-T261 PolarHBondContact O-N 3.31Å; G259-T261 PolarHBondContact O-N 3.49Å; T261-I263 PolarHBondContact O-N 2.97Å; T261-L264 PolarHBondContact O-N 2.94Å; T261-I265 HydrophobicContact CG2-CD1 4.04Å; T261-I265 VanDerWaalsContact O-CG1 3.31Å; T261-I265 WeakPolarHBondContact O-CG1 3.28Å; T261-I265 PolarHBondContact O-N 2.85Å
262G92.3Very high93.7Very high29 Ų2957 Ų5730%0.29931%0.309SS..Hα-helixtrans-59.9-44.6176.300000113.1I258 G259 M260 I265 V266I258-G262 PolarHBondContact O-N 3.04Å; G259-G262 PolarHBondContact O-N 3.05Å; M260-G262 PolarHBondContact O-N 3.4Å; G262-I265 PolarHBondContact O-N 3.49Å; G262-V266 PolarHBondContact O-N 3.41Å
263I92.6Very high93.8Very high117 Ų11757.5 Ų57.560%0.631%0.314SS*.Hα-helixtrans-63.1-44.1176.9-67167.9000111G259 M260 T261 I265 V266 A267G259-I263 WeakPolarHBondContact O-CG1 3.41Å; G259-I263 PolarHBondContact O-N 2.92Å; G259-I263 VanDerWaalsContact O-N 3.12Å; M260-I263 PolarHBondContact O-N 3.25Å; T261-I263 PolarHBondContact O-N 2.97Å; I263-I265 PolarHBondContact O-N 3.33Å; I263-V266 PolarHBondContact O-N 3.42Å; I263-A267 VanDerWaalsContact O-CB 3.31Å; I263-A267 WeakPolarHBondContact O-CB 3.31Å; I263-A267 PolarHBondContact O-N 3.07Å
264L94.3Very high93.9Very high25 Ų2558.8 Ų58.813%0.13131%0.313CS..Hα-helixtrans-65.4-37.2180-69.1173.1000112.1I206 A209 L210 M260 T261 A267 V268I206-L264 HydrophobicContact CG1-CD2 4.39Å; I206-L264 HydrophobicContact CG2-CB 4.39Å; I206-L264 HydrophobicContact CG2-CD2 4Å; A209-L264 HydrophobicContact CB-CD1 4Å; L210-L264 HydrophobicContact CD1-CB 4.43Å; M260-L264 HydrophobicContact CE-CD1 4.46Å; M260-L264 HydrophobicContact CG-CD1 3.82Å; M260-L264 HydrophobicContact CG-CG 4.11Å; M260-L264 WeakPolarHBondContact O-CB 3.31Å; M260-L264 VanDerWaalsContact O-CG 3.24Å; M260-L264 WeakPolarHBondContact O-CG 3.42Å; M260-L264 PolarHBondContact O-N 3.31Å; M260-L264 HydrophobicContact SD-CD1 4.43Å; T261-L264 PolarHBondContact O-N 2.94Å; L264-A267 PolarHBondContact O-N 3.48Å; L264-V268 WeakPolarHBondContact O-CB 3.38Å; L264-V268 WeakPolarHBondContact O-CG1 3.49Å; L264-V268 PolarHBondContact O-N 2.8Å
265I95.3Very high94Very high75 Ų7558 Ų5839%0.38531%0.311SS..Hα-helixtrans-61.2-48.1174.5-70.6167000110.7L210 T261 G262 I263 V268 M269L210-I265 HydrophobicContact CD1-CD1 4.4Å; L210-I265 HydrophobicContact CD1-CG1 3.8Å; L210-I265 HydrophobicContact CD2-CG1 4.02Å; T261-I265 HydrophobicContact CG2-CD1 4.04Å; T261-I265 VanDerWaalsContact O-CG1 3.31Å; T261-I265 WeakPolarHBondContact O-CG1 3.28Å; T261-I265 PolarHBondContact O-N 2.85Å; G262-I265 PolarHBondContact O-N 3.49Å; I263-I265 PolarHBondContact O-N 3.33Å; I265-V268 WeakPolarHBondContact O-CG1 3.25Å; I265-M269 HydrophobicContact CG2-SD 4.26Å; I265-M269 VanDerWaalsContact O-CG 3.29Å; I265-M269 WeakPolarHBondContact O-CG 3.42Å; I265-M269 PolarHBondContact O-N 3.37Å; I265-M269 VanDerWaalsContact O-N 3.13Å
266V93.1Very high94.1Very high80 Ų8059.1 Ų59.149%0.48532%0.316SS..Hα-helixtrans-64.7-43.9178.1176.50000110.6G262 I263 M269 L270G262-V266 PolarHBondContact O-N 3.41Å; I263-V266 PolarHBondContact O-N 3.42Å; V266-M269 PolarHBondContact O-N 3.33Å; V266-L270 HydrophobicContact CG1-CD1 4.1Å; V266-L270 WeakPolarHBondContact O-CG 3.45Å; V266-L270 PolarHBondContact O-N 2.94Å; V266-L270 VanDerWaalsContact O-N 3.08Å
267A92.1Very high94.3Very high30 Ų3055.2 Ų55.225%0.24830%0.303CS..Hα-helixtrans-61.3-46.2179.700000112.1I263 L264 M269 L270 L271I263-A267 VanDerWaalsContact O-CB 3.31Å; I263-A267 WeakPolarHBondContact O-CB 3.31Å; I263-A267 PolarHBondContact O-N 3.07Å; L264-A267 PolarHBondContact O-N 3.48Å; A267-M269 PolarHBondContact O-N 3.43Å; A267-L270 PolarHBondContact O-N 3.18Å; A267-L271 WeakPolarHBondContact O-CB 3.19Å; A267-L271 WeakPolarHBondContact O-CG 3.17Å; A267-L271 PolarHBondContact O-N 2.89Å
268V93.9Very high94.3Very high14 Ų1455.3 Ų55.39%0.08530%0.303CS..Hα-helixtrans-66.6-38.8-179.478.60000111.6I206 V207 L210 L264 I265 L270 L271 I272I206-V268 HydrophobicContact CG2-CB 3.74Å; I206-V268 HydrophobicContact CG2-CG2 4.11Å; V207-V268 HydrophobicContact CG2-CG2 3.69Å; L210-V268 HydrophobicContact CD2-CG1 4.46Å; L264-V268 WeakPolarHBondContact O-CB 3.38Å; L264-V268 WeakPolarHBondContact O-CG1 3.49Å; L264-V268 PolarHBondContact O-N 2.8Å; I265-V268 WeakPolarHBondContact O-CG1 3.25Å; V268-L270 PolarHBondContact O-N 3.3Å; V268-L271 PolarHBondContact O-N 3.49Å; V268-I272 HydrophobicContact CG2-CD1 3.86Å; V268-I272 HydrophobicContact CG2-CG1 4.26Å; V268-I272 WeakPolarHBondContact O-CB 3.43Å; V268-I272 VanDerWaalsContact O-CG1 3.28Å; V268-I272 WeakPolarHBondContact O-CG1 3.35Å; V268-I272 PolarHBondContact O-N 3.46Å
269M94.3Very high94.4Very high116 Ų11657.4 Ų57.457%0.57131%0.314SS*.Hα-helixtrans-60.6-47.5175-73.3179.773.100111.2I265 V266 A267 N273I265-M269 HydrophobicContact CG2-SD 4.26Å; I265-M269 VanDerWaalsContact O-CG 3.29Å; I265-M269 WeakPolarHBondContact O-CG 3.42Å; I265-M269 PolarHBondContact O-N 3.37Å; I265-M269 VanDerWaalsContact O-N 3.13Å; V266-M269 PolarHBondContact O-N 3.33Å; A267-M269 PolarHBondContact O-N 3.43Å; M269-N273 PolarHBondContact O-N 2.86Å; M269-N273 PolarHBondContact O-ND2 3.34Å
270L93.5Very high94.6Very high119 Ų11960.7 Ų60.762%0.62332%0.32SS*.Hα-helixtrans-63.5-42.7178.5-68.4175.2000112V266 A267 V268 N273 Y274V266-L270 HydrophobicContact CG1-CD1 4.1Å; V266-L270 WeakPolarHBondContact O-CG 3.45Å; V266-L270 PolarHBondContact O-N 2.94Å; V266-L270 VanDerWaalsContact O-N 3.08Å; A267-L270 PolarHBondContact O-N 3.18Å; V268-L270 PolarHBondContact O-N 3.3Å; L270-N273 PolarHBondContact O-N 3.44Å; L270-Y274 WeakPolarHBondContact O-CB 3.24Å; L270-Y274 PolarHBondContact O-N 3Å
271L94Very high94.7Very high32 Ų3259.8 Ų59.817%0.16832%0.316CS..Hα-helixtrans-69-40-179.3-74.6169.6000112.9L199 L202 I206 A267 V268 N273 Y274 L275L199-L271 HydrophobicContact CD1-CD2 3.73Å; L202-L271 HydrophobicContact CD2-CD1 4.08Å; L202-L271 HydrophobicContact CD2-CD2 4.05Å; L202-L271 HydrophobicContact CG-CD1 3.99Å; I206-L271 HydrophobicContact CD1-CD1 3.27Å; A267-L271 WeakPolarHBondContact O-CB 3.19Å; A267-L271 WeakPolarHBondContact O-CG 3.17Å; A267-L271 PolarHBondContact O-N 2.89Å; V268-L271 PolarHBondContact O-N 3.49Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 3.49Å; L271-Y274 PolarHBondContact O-N 3Å; L271-L275 VanDerWaalsContact O-CB 3.25Å; L271-L275 WeakPolarHBondContact O-CB 3.26Å; L271-L275 PolarHBondContact O-N 2.74Å
272I94.9Very high94.7Very high83 Ų8359.3 Ų59.343%0.42631%0.313SS..Hα-helixtrans-62.8-42.2175.3-71.9171.3000110.6V268 L275 T276V268-I272 HydrophobicContact CG2-CD1 3.86Å; V268-I272 HydrophobicContact CG2-CG1 4.26Å; V268-I272 WeakPolarHBondContact O-CB 3.43Å; V268-I272 VanDerWaalsContact O-CG1 3.28Å; V268-I272 WeakPolarHBondContact O-CG1 3.35Å; V268-I272 PolarHBondContact O-N 3.46Å; I272-L275 PolarHBondContact O-N 3.4Å; I272-T276 VanDerWaalsContact O-CB 3.31Å; I272-T276 WeakPolarHBondContact O-CB 3.3Å; I272-T276 PolarHBondContact O-N 3.08Å; I272-T276 PolarHBondContact O-OG1 3.24Å
273N95Very high94.8Very high111 Ų11161 Ų6159%0.59431%0.314SS*.Hα-helixtrans-62.6-44.7176-81.7-77.5000111.5M269 L270 L271 T276 F277M269-N273 PolarHBondContact O-N 2.86Å; M269-N273 PolarHBondContact O-ND2 3.34Å; L270-N273 PolarHBondContact O-N 3.44Å; L271-N273 VanDerWaalsContact C-N 3.34Å; L271-N273 PolarHBondContact O-N 3.49Å; N273-T276 PolarHBondContact O-N 2.76Å; N273-F277 WeakPolarHBondContact O-CB 3.28Å; N273-F277 PolarHBondContact O-N 3.27Å
274Y95.7Very high94.8Very high85 Ų8556.4 Ų56.433%0.33329%0.291SS..Hα-helixtrans-65.2-42178-174.7-114.7000112.5F195 L199 L270 L271 F277 H278F195-Y274 HydrophobicContact CE1-CE1 4.39Å; F195-Y274 AromaticContact CZ-CE1 3.81Å; F195-Y274 HydrophobicContact CZ-CE1 3.81Å; F195-Y274 WeakPolarHBondContact CZ-OH 3.38Å; L199-Y274 HydrophobicContact CD1-CD1 4Å; L199-Y274 HydrophobicContact CD1-CE1 4.41Å; L199-Y274 HydrophobicContact CD2-CD1 3.62Å; L199-Y274 HydrophobicContact CD2-CE1 3.9Å; L199-Y274 HydrophobicContact CG-CD1 4.49Å; L270-Y274 WeakPolarHBondContact O-CB 3.24Å; L270-Y274 PolarHBondContact O-N 3Å; L271-Y274 PolarHBondContact O-N 3Å; Y274-F277 PolarHBondContact O-N 2.89Å; Y274-H278 AromaticContact CD1-CD2 3.94Å; Y274-H278 AromaticContact CD2-CD2 3.99Å; Y274-H278 AromaticContact CE1-CD2 3.57Å; Y274-H278 AromaticContact CE1-NE2 3.59Å; Y274-H278 AromaticContact CE2-CD2 3.64Å; Y274-H278 AromaticContact CE2-NE2 3.34Å; Y274-H278 VanDerWaalsContact CE2-NE2 3.34Å; Y274-H278 WeakPolarHBondContact CE2-NE2 3.3Å; Y274-H278 AromaticContact CZ-CD2 3.43Å; Y274-H278 VanDerWaalsContact CZ-CD2 3.43Å; Y274-H278 AromaticContact CZ-NE2 3.01Å; Y274-H278 PolarHBondContact O-CD2 2.87Å; Y274-H278 PolarHBondContact O-N 3.32Å; Y274-H278 PolarHBondContact OH-NE2 3.22Å
275L95.9Very high94.8Very high18 Ų1855.3 Ų55.39%0.09429%0.285CS..Hα-helixtrans-64.9-44.6176.1178.561.3000111.3L199 L200 L271 I272 F277 H278 I279L199-L275 HydrophobicContact CD2-CB 3.99Å; L199-L275 HydrophobicContact CD2-CD1 3.78Å; L199-L275 HydrophobicContact CD2-CG 4.49Å; L199-L275 HydrophobicContact CG-CB 4.32Å; L199-L275 HydrophobicContact CG-CD1 4.05Å; L200-L275 HydrophobicContact CD1-CD2 4.16Å; L271-L275 VanDerWaalsContact O-CB 3.25Å; L271-L275 WeakPolarHBondContact O-CB 3.26Å; L271-L275 PolarHBondContact O-N 2.74Å; I272-L275 PolarHBondContact O-N 3.4Å; L275-F277 VanDerWaalsContact C-N 3.3Å; L275-F277 PolarHBondContact O-N 3.41Å; L275-H278 PolarHBondContact O-N 3.45Å; L275-I279 HydrophobicContact CD1-CD1 4.08Å; L275-I279 HydrophobicContact CD1-CG1 4.21Å; L275-I279 HydrophobicContact CG-CD1 3.85Å; L275-I279 HydrophobicContact CG-CG1 4.4Å; L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.43Å; L275-I279 PolarHBondContact O-N 3.4Å
276T97Very high94.7Very high84 Ų8452.2 Ų52.252%0.51527%0.27SS..Hα-helixtrans-61-41.5177.3-57.40000111.2I272 N273 I279 W280I272-T276 VanDerWaalsContact O-CB 3.31Å; I272-T276 WeakPolarHBondContact O-CB 3.3Å; I272-T276 PolarHBondContact O-N 3.08Å; I272-T276 PolarHBondContact O-OG1 3.24Å; N273-T276 PolarHBondContact O-N 2.76Å; T276-I279 PolarHBondContact O-N 3.5Å; T276-W280 WeakPolarHBondContact O-CB 3.27Å; T276-W280 PolarHBondContact O-N 2.89Å
277F97.1Very high94.8Very high53 Ų5348.4 Ų48.423%0.23225%0.247CC..Hα-helixtrans-60.1-46.7174.3173.1-110.2000112N273 Y274 L275 W280 L281 Y291 F292N273-F277 WeakPolarHBondContact O-CB 3.28Å; N273-F277 PolarHBondContact O-N 3.27Å; Y274-F277 PolarHBondContact O-N 2.89Å; L275-F277 VanDerWaalsContact C-N 3.3Å; L275-F277 PolarHBondContact O-N 3.41Å; F277-W280 HydrophobicContact CD2-CE3 4.17Å; F277-W280 HydrophobicContact CD2-CZ3 4.29Å; F277-W280 HydrophobicContact CE2-CE3 4.21Å; F277-W280 AromaticContact CE2-CZ3 3.93Å; F277-W280 HydrophobicContact CE2-CZ3 3.93Å; F277-W280 PolarHBondContact O-N 3.3Å; F277-L281 HydrophobicContact CD1-CD1 4Å; F277-L281 HydrophobicContact CE1-CD1 3.42Å; F277-L281 VanDerWaalsContact CE1-CD1 3.42Å; F277-L281 HydrophobicContact CE1-CG 4.21Å; F277-L281 HydrophobicContact CE2-CD1 4.19Å; F277-L281 HydrophobicContact CE2-CD2 4.3Å; F277-L281 HydrophobicContact CE2-CG 4.14Å; F277-L281 HydrophobicContact CZ-CD1 3.54Å; F277-L281 HydrophobicContact CZ-CD2 4.21Å; F277-L281 HydrophobicContact CZ-CG 3.99Å; F277-L281 WeakPolarHBondContact O-CG 3.47Å; F277-L281 PolarHBondContact O-N 3.2Å; F277-Y291 HydrophobicContact CE2-CD1 4.13Å; F277-Y291 HydrophobicContact CE2-CE1 4.02Å; F277-Y291 AromaticContact CZ-CD1 3.94Å; F277-Y291 HydrophobicContact CZ-CD1 3.94Å; F277-Y291 HydrophobicContact CZ-CE1 4.21Å; F277-Y291 HydrophobicContact CZ-CG 4.5Å; F277-F292 HydrophobicContact CZ-CE2 4.29Å; F277-F292 HydrophobicContact CZ-CZ 4.4Å
278H96.3Very high95Very high1 Ų147.6 Ų47.61%0.00524%0.24CC..Hα-helixtrans-65.8-42.5177.3-87.2-69.6000113D177 F195 I196 Y274 L275 W280 L281 I282D177-H278 IonicContact OD2-CE1 3.68Å; F195-H278 AromaticContact CE1-CE1 3.97Å; F195-H278 AromaticContact CE1-NE2 3.82Å; I196-H278 HydrophobicContact CD1-CB 3.79Å; Y274-H278 AromaticContact CD1-CD2 3.94Å; Y274-H278 AromaticContact CD2-CD2 3.99Å; Y274-H278 AromaticContact CE1-CD2 3.57Å; Y274-H278 AromaticContact CE1-NE2 3.59Å; Y274-H278 AromaticContact CE2-CD2 3.64Å; Y274-H278 AromaticContact CE2-NE2 3.34Å; Y274-H278 VanDerWaalsContact CE2-NE2 3.34Å; Y274-H278 WeakPolarHBondContact CE2-NE2 3.3Å; Y274-H278 AromaticContact CZ-CD2 3.43Å; Y274-H278 VanDerWaalsContact CZ-CD2 3.43Å; Y274-H278 AromaticContact CZ-NE2 3.01Å; Y274-H278 PolarHBondContact O-CD2 2.87Å; Y274-H278 PolarHBondContact O-N 3.32Å; Y274-H278 PolarHBondContact OH-NE2 3.22Å; L275-H278 PolarHBondContact O-N 3.45Å; H278-W280 VanDerWaalsContact C-N 3.28Å; H278-W280 PolarHBondContact O-N 3.28Å; H278-L281 WeakPolarHBondContact O-CB 3.3Å; H278-L281 PolarHBondContact O-N 2.92Å; H278-I282 WeakPolarHBondContact O-CB 3.31Å; H278-I282 VanDerWaalsContact O-CD1 3.24Å; H278-I282 WeakPolarHBondContact O-CD1 3.44Å; H278-I282 WeakPolarHBondContact O-CG1 3.39Å; H278-I282 PolarHBondContact O-N 2.87Å
279I95.9Very high95.1Very high79 Ų7949.7 Ų49.741%0.40525%0.246SC..Hα-helixtrans-55.9-46.9173.7-70.6168.3000109.9L275 T276 L281 I282 L283L275-I279 HydrophobicContact CD1-CD1 4.08Å; L275-I279 HydrophobicContact CD1-CG1 4.21Å; L275-I279 HydrophobicContact CG-CD1 3.85Å; L275-I279 HydrophobicContact CG-CG1 4.4Å; L275-I279 VanDerWaalsContact O-CG1 3.29Å; L275-I279 WeakPolarHBondContact O-CG1 3.43Å; L275-I279 PolarHBondContact O-N 3.4Å; T276-I279 PolarHBondContact O-N 3.5Å; I279-L281 PolarHBondContact O-N 3.48Å; I279-I282 WeakPolarHBondContact O-CB 3.42Å; I279-I282 PolarHBondContact O-N 3.3Å; I279-L283 HydrophobicContact CG2-CD1 4.14Å; I279-L283 HydrophobicContact CG2-CG 4.41Å; I279-L283 VanDerWaalsContact O-CG 3.28Å; I279-L283 WeakPolarHBondContact O-CG 3.39Å; I279-L283 PolarHBondContact O-N 3.47Å
280W95.4Very high95.1Very high88 Ų8844.3 Ų44.333%0.33322%0.22SC..Hα-helixtrans-62.3-42.7177.6172.181.8000113.2T276 F277 H278 I282 L283 I284 Y291 R375T276-W280 WeakPolarHBondContact O-CB 3.27Å; T276-W280 PolarHBondContact O-N 2.89Å; F277-W280 HydrophobicContact CD2-CE3 4.17Å; F277-W280 HydrophobicContact CD2-CZ3 4.29Å; F277-W280 HydrophobicContact CE2-CE3 4.21Å; F277-W280 AromaticContact CE2-CZ3 3.93Å; F277-W280 HydrophobicContact CE2-CZ3 3.93Å; F277-W280 PolarHBondContact O-N 3.3Å; H278-W280 VanDerWaalsContact C-N 3.28Å; H278-W280 PolarHBondContact O-N 3.28Å; W280-I282 VanDerWaalsContact C-N 3.3Å; W280-I282 PolarHBondContact O-N 3.42Å; W280-L283 PolarHBondContact O-N 2.83Å; W280-I284 HydrophobicContact CE3-CD1 4.42Å; W280-I284 HydrophobicContact CZ3-CD1 4.4Å; W280-I284 WeakPolarHBondContact O-CG1 3.26Å; W280-I284 PolarHBondContact O-N 2.72Å; W280-Y291 HydrophobicContact CH2-CD2 4.05Å; W280-Y291 AromaticContact CH2-CE2 3.48Å; W280-Y291 HydrophobicContact CH2-CE2 3.48Å; W280-Y291 VanDerWaalsContact CH2-CE2 3.48Å; W280-Y291 AromaticContact CZ3-CD2 3.94Å; W280-Y291 HydrophobicContact CZ3-CD2 3.94Å; W280-Y291 AromaticContact CZ3-CE2 3.72Å; W280-Y291 HydrophobicContact CZ3-CE2 3.72Å; W280-R375 VanDerWaalsContact CH2-NH2 3.34Å
281L95.8Very high95.1Very high1 Ų140.3 Ų40.31%0.00520%0.197CC..Hα-helixtrans-58.8-42.4174.5-76.5-179.3000111.8F277 H278 I279 I284 N285 C286 Y291F277-L281 HydrophobicContact CD1-CD1 4Å; F277-L281 HydrophobicContact CE1-CD1 3.42Å; F277-L281 VanDerWaalsContact CE1-CD1 3.42Å; F277-L281 HydrophobicContact CE1-CG 4.21Å; F277-L281 HydrophobicContact CE2-CD1 4.19Å; F277-L281 HydrophobicContact CE2-CD2 4.3Å; F277-L281 HydrophobicContact CE2-CG 4.14Å; F277-L281 HydrophobicContact CZ-CD1 3.54Å; F277-L281 HydrophobicContact CZ-CD2 4.21Å; F277-L281 HydrophobicContact CZ-CG 3.99Å; F277-L281 WeakPolarHBondContact O-CG 3.47Å; F277-L281 PolarHBondContact O-N 3.2Å; H278-L281 WeakPolarHBondContact O-CB 3.3Å; H278-L281 PolarHBondContact O-N 2.92Å; I279-L281 PolarHBondContact O-N 3.48Å; L281-I284 HydrophobicContact CD2-CD1 4.4Å; L281-I284 WeakPolarHBondContact O-CG1 3.48Å; L281-I284 PolarHBondContact O-N 2.84Å; L281-N285 PolarHBondContact O-N 3.02Å; L281-N285 VanDerWaalsContact O-N 3.13Å; L281-C286 CarbonylContact C-O 3.59Å; L281-C286 WeakPolarHBondContact CB-O 3.41Å; L281-C286 HydrophobicContact CD2-CB 4.08Å; L281-C286 PolarHBondContact O-N 2.97Å; L281-Y291 HydrophobicContact CD2-CD2 4.39Å; L281-Y291 HydrophobicContact CD2-CG 4.2Å
282I94.8Very high95.1Very high6 Ų644.7 Ų44.73%0.03122%0.215CC..Hα-helixtrans-62.5-46.1176.7-68158.3000110.7I196 H278 I279 W280 I284 N285 N385 L386 M389I196-I282 HydrophobicContact CD1-CD1 3.87Å; I196-I282 HydrophobicContact CG1-CD1 3.73Å; H278-I282 WeakPolarHBondContact O-CB 3.31Å; H278-I282 VanDerWaalsContact O-CD1 3.24Å; H278-I282 WeakPolarHBondContact O-CD1 3.44Å; H278-I282 WeakPolarHBondContact O-CG1 3.39Å; H278-I282 PolarHBondContact O-N 2.87Å; I279-I282 WeakPolarHBondContact O-CB 3.42Å; I279-I282 PolarHBondContact O-N 3.3Å; W280-I282 VanDerWaalsContact C-N 3.3Å; W280-I282 PolarHBondContact O-N 3.42Å; I282-I284 PolarHBondContact O-N 3Å; I282-I284 VanDerWaalsContact O-N 3.16Å; I282-N285 PolarHBondContact O-N 3.29Å; I282-N385 VanDerWaalsContact O-CB 3.32Å; I282-N385 WeakPolarHBondContact O-CB 3.37Å; I282-L386 HydrophobicContact CG2-CD2 3.77Å; I282-M389 HydrophobicContact CB-SD 3.92Å; I282-M389 HydrophobicContact CD1-CE 3.5Å; I282-M389 VanDerWaalsContact CD1-CE 3.5Å; I282-M389 HydrophobicContact CD1-SD 3.41Å; I282-M389 WeakPolarHBondContact CD1-SD 3.42Å; I282-M389 HydrophobicContact CG1-CE 3.89Å; I282-M389 HydrophobicContact CG1-SD 3.38Å; I282-M389 WeakPolarHBondContact CG1-SD 3.34Å; I282-M389 HydrophobicContact CG2-CG 4.31Å; I282-M389 HydrophobicContact CG2-SD 3.26Å; I282-M389 WeakPolarHBondContact CG2-SD 3.42Å
283L94Very high94.9Very high63 Ų6342.8 Ų42.833%0.3320%0.204SC..Hα-helixtrans-59.5-29.2-179.1-69.9174.6000112.9I279 W280 I382 N385I279-L283 HydrophobicContact CG2-CD1 4.14Å; I279-L283 HydrophobicContact CG2-CG 4.41Å; I279-L283 VanDerWaalsContact O-CG 3.28Å; I279-L283 WeakPolarHBondContact O-CG 3.39Å; I279-L283 PolarHBondContact O-N 3.47Å; W280-L283 PolarHBondContact O-N 2.83Å; L283-I382 HydrophobicContact CD2-CB 4.47Å; L283-I382 HydrophobicContact CD2-CG1 4.23Å; L283-I382 HydrophobicContact CD2-CG2 3.72Å; L283-N385 PolarHBondContact O-ND2 2.96Å
284I92.2Very high94.7Very high21 Ų2137.5 Ų37.511%0.10818%0.176CC..THydrogen-bonded Turntrans-98.55.6176.165.9174.9000113.8W280 L281 I282 C286 R375W280-I284 HydrophobicContact CE3-CD1 4.42Å; W280-I284 HydrophobicContact CZ3-CD1 4.4Å; W280-I284 WeakPolarHBondContact O-CG1 3.26Å; W280-I284 PolarHBondContact O-N 2.72Å; L281-I284 HydrophobicContact CD2-CD1 4.4Å; L281-I284 WeakPolarHBondContact O-CG1 3.48Å; L281-I284 PolarHBondContact O-N 2.84Å; I282-I284 PolarHBondContact O-N 3Å; I282-I284 VanDerWaalsContact O-N 3.16Å; I284-C286 VanDerWaalsContact C-N 3.33Å; I284-C286 HydrophobicContact CD1-CB 3.64Å; I284-C286 HydrophobicContact CG1-CB 3.61Å; I284-C286 PolarHBondContact O-N 2.8Å; I284-R375 HydrophobicContact CD1-CG 4.34Å; I284-R375 VanDerWaalsContact CD1-NE 3.33Å
285N94.1Very high94.4Very high2 Ų237.9 Ų37.91%0.01118%0.179CC..THydrogen-bonded Turntrans54.839.9-174.1-153-5000115.2R162 R175 L281 I282 Y378 N385 E388R162-N285 PolarHBondContact NH1-OD1 3.32Å; R162-N285 PolarHBondContact NH2-O 2.96Å; R175-N285 PolarHBondContact NH1-OD1 3.32Å; R175-N285 PolarHBondContact NH2-OD1 3.36Å; L281-N285 PolarHBondContact O-N 3.02Å; L281-N285 VanDerWaalsContact O-N 3.13Å; I282-N285 PolarHBondContact O-N 3.29Å; N285-Y378 WeakPolarHBondContact CB-O 3.44Å; N285-Y378 PolarHBondContact ND2-O 3.4Å; N285-N385 HydrophobicContact CB-CB 4.37Å; N285-N385 WeakPolarHBondContact CB-OD1 3.45Å; N285-N385 PolarHBondContact ND2-OD1 2.78Å; N285-E388 PolarHBondContact ND2-OE2 3.06Å; N285-E388 PolarHBondContact OD1-OE2 3.45Å
286C94Very high94.1Very high11 Ų1143.3 Ų43.37%0.07420%0.202CC..  trans-111.6147.8178.9-170.60000110L281 I284 E290L281-C286 CarbonylContact C-O 3.59Å; L281-C286 WeakPolarHBondContact CB-O 3.41Å; L281-C286 HydrophobicContact CD2-CB 4.08Å; L281-C286 PolarHBondContact O-N 2.97Å; I284-C286 VanDerWaalsContact C-N 3.33Å; I284-C286 HydrophobicContact CD1-CB 3.64Å; I284-C286 HydrophobicContact CG1-CB 3.61Å; I284-C286 PolarHBondContact O-N 2.8Å; C286-E290 WeakPolarHBondContact CA-OE2 3.44Å; C286-E290 VanDerWaalsContact SG-CB 3.56Å
287T95.6Very high93.7Very high0 Ų041.4 Ų41.40%019%0.188CC..  trans-92.8158.9166.958.80000110.3R175 F176 D177 Y289 E290 Y291R175-T287 HydrophobicContact CG-CG2 4.2Å; F176-T287 PolarHBondContact O-OG1 3.46Å; D177-T287 HydrophobicContact CB-CG2 4.39Å; D177-T287 VanDerWaalsContact OD1-CA 3.27Å; D177-T287 WeakPolarHBondContact OD1-CA 3.29Å; D177-T287 VanDerWaalsContact OD1-CB 3.26Å; D177-T287 WeakPolarHBondContact OD1-CB 3.49Å; T287-Y289 PolarHBondContact O-N 2.9Å; T287-E290 PolarHBondContact N-OE2 3.26Å; T287-E290 PolarHBondContact O-N 3.32Å; T287-E290 WeakPolarHBondContact OG1-CB 3.31Å; T287-E290 WeakPolarHBondContact OG1-CG 3.2Å; T287-E290 PolarHBondContact OG1-N 3.37Å; T287-E290 VanDerWaalsContact OG1-N 3.14Å; T287-E290 PolarHBondContact OG1-OE2 3.31Å; T287-Y291 PolarHBondContact O-N 3.3Å
288S95.6Very high93.2Very high13 Ų1339.9 Ų39.99%0.09118%0.183CC..Hα-helixtrans-58.8-39.617467.70000111.1D177 Y291 F292D177-S288 PolarHBondContact O-OG 3.43Å; D177-S288 PolarHBondContact OD1-N 2.82Å; D177-S288 PolarHBondContact OD1-OG 3.38Å; D177-S288 PolarHBondContact OD2-OG 2.9Å; S288-Y291 PolarHBondContact O-N 3.31Å; S288-F292 WeakPolarHBondContact O-CD2 2.98Å; S288-F292 PolarHBondContact O-N 3.46Å; S288-F292 VanDerWaalsContact O-N 3.08Å
289Y96Very high92.6Very high57 Ų5744.1 Ų44.122%0.22421%0.208CC..Hα-helixtrans-58.3-50.8173176.5-105.9000112.5Y147 K164 F176 D177 T287 Y291 F292 Q293Y147-Y289 HydrophobicContact CE1-CE1 4.08Å; Y147-Y289 WeakPolarHBondContact OH-CD1 3.37Å; K164-Y289 HydrophobicContact CD-CD1 4.43Å; K164-Y289 HydrophobicContact CD-CD2 4.07Å; K164-Y289 HydrophobicContact CD-CE1 3.92Å; K164-Y289 HydrophobicContact CD-CE2 3.53Å; K164-Y289 VanDerWaalsContact CD-CZ 3.45Å; F176-Y289 HydrophobicContact CD1-CD1 4.27Å; F176-Y289 HydrophobicContact CD1-CD2 4.26Å; F176-Y289 AromaticContact CD1-CG 3.87Å; F176-Y289 HydrophobicContact CD1-CG 3.87Å; F176-Y289 HydrophobicContact CE1-CD2 4.13Å; F176-Y289 HydrophobicContact CE1-CG 4.15Å; D177-Y289 VanDerWaalsContact O-CB 3.23Å; D177-Y289 WeakPolarHBondContact O-CB 3.48Å; D177-Y289 PolarHBondContact O-N 2.71Å; T287-Y289 PolarHBondContact O-N 2.9Å; Y289-Y291 VanDerWaalsContact C-N 3.29Å; Y289-Y291 PolarHBondContact O-N 3.49Å; Y289-F292 PolarHBondContact O-N 3.33Å; Y289-Q293 HydrophobicContact CE1-CB 4.36Å; Y289-Q293 HydrophobicContact CE1-CG 4.42Å; Y289-Q293 HydrophobicContact CE2-CB 4.29Å; Y289-Q293 WeakPolarHBondContact O-CB 3.35Å; Y289-Q293 PolarHBondContact O-N 3.49Å
290E94.9Very high92.1Very high4 Ų443.2 Ų43.22%0.01921%0.209CC..Hα-helixtrans-58.1-43.1177.9-76.4158.9176.200111.8I146 Y147 R162 C286 T287 Q293 G294I146-E290 HydrophobicContact CD1-CB 4.3Å; I146-E290 VanDerWaalsContact CD1-O 3.23Å; I146-E290 WeakPolarHBondContact CD1-O 3.24Å; Y147-E290 HydrophobicContact CE2-CG 3.64Å; Y147-E290 VanDerWaalsContact CE2-OE1 3.31Å; Y147-E290 WeakPolarHBondContact CE2-OE1 3.31Å; Y147-E290 WeakPolarHBondContact OH-CG 3.3Å; Y147-E290 PolarHBondContact OH-OE1 3.43Å; R162-E290 WeakPolarHBondContact CG-OE1 3.25Å; R162-E290 IonicContact CZ-OE1 2.72Å; R162-E290 IonicContact CZ-OE2 3.77Å; R162-E290 IonicContact NE-OE1 3.49Å; R162-E290 PolarHBondContact NE-OE1 3.06Å; R162-E290 IonicContact NE-OE2 3.62Å; R162-E290 IonicContact NH2-OE1 3.46Å; R162-E290 PolarHBondContact NH2-OE1 3.19Å; R162-E290 IonicContact NH2-OE2 3.41Å; R162-E290 PolarHBondContact NH2-OE2 3.37Å; C286-E290 WeakPolarHBondContact CA-OE2 3.44Å; C286-E290 VanDerWaalsContact SG-CB 3.56Å; T287-E290 PolarHBondContact N-OE2 3.26Å; T287-E290 PolarHBondContact O-N 3.32Å; T287-E290 WeakPolarHBondContact OG1-CB 3.31Å; T287-E290 WeakPolarHBondContact OG1-CG 3.2Å; T287-E290 PolarHBondContact OG1-N 3.37Å; T287-E290 VanDerWaalsContact OG1-N 3.14Å; T287-E290 PolarHBondContact OG1-OE2 3.31Å; E290-Q293 PolarHBondContact O-N 3.37Å; E290-G294 PolarHBondContact O-N 2.83Å
291Y93.1Very high91.4Very high35 Ų3541.7 Ų41.714%0.13721%0.206CC..Hα-helixtrans-59.5-50.7178.7177-103000112.5F277 W280 L281 T287 S288 Y289 K295F277-Y291 HydrophobicContact CE2-CD1 4.13Å; F277-Y291 HydrophobicContact CE2-CE1 4.02Å; F277-Y291 AromaticContact CZ-CD1 3.94Å; F277-Y291 HydrophobicContact CZ-CD1 3.94Å; F277-Y291 HydrophobicContact CZ-CE1 4.21Å; F277-Y291 HydrophobicContact CZ-CG 4.5Å; W280-Y291 HydrophobicContact CH2-CD2 4.05Å; W280-Y291 AromaticContact CH2-CE2 3.48Å; W280-Y291 HydrophobicContact CH2-CE2 3.48Å; W280-Y291 VanDerWaalsContact CH2-CE2 3.48Å; W280-Y291 AromaticContact CZ3-CD2 3.94Å; W280-Y291 HydrophobicContact CZ3-CD2 3.94Å; W280-Y291 AromaticContact CZ3-CE2 3.72Å; W280-Y291 HydrophobicContact CZ3-CE2 3.72Å; L281-Y291 HydrophobicContact CD2-CD2 4.39Å; L281-Y291 HydrophobicContact CD2-CG 4.2Å; T287-Y291 PolarHBondContact O-N 3.3Å; S288-Y291 PolarHBondContact O-N 3.31Å; Y289-Y291 VanDerWaalsContact C-N 3.29Å; Y289-Y291 PolarHBondContact O-N 3.49Å; Y291-K295 HydrophobicContact CE1-CD 4.04Å; Y291-K295 HydrophobicContact CE2-CD 4.49Å; Y291-K295 VanDerWaalsContact CZ-CE 3.43Å; Y291-K295 PolarHBondContact O-N 3.49Å; Y291-K295 VanDerWaalsContact OH-CE 3.25Å; Y291-K295 WeakPolarHBondContact OH-CE 3.47Å; Y291-K295 PolarHBondContact OH-NZ 3.44Å
292F93.2Very high90.6Very high123 Ų12344.6 Ų44.654%0.53922%0.221SC..Hα-helixtrans-73-35.9-179.2-71.3-65.7000112.5F277 S288 Y289 K296F277-F292 HydrophobicContact CZ-CE2 4.29Å; F277-F292 HydrophobicContact CZ-CZ 4.4Å; S288-F292 WeakPolarHBondContact O-CD2 2.98Å; S288-F292 PolarHBondContact O-N 3.46Å; S288-F292 VanDerWaalsContact O-N 3.08Å; Y289-F292 PolarHBondContact O-N 3.33Å; F292-K296 PolarHBondContact O-N 2.88Å
293Q92.1Very high89.8Confident43 Ų4348.4 Ų48.420%0.20125%0.247CC..Hα-helixtrans-68-41.5178.1-175.757.943.800111.5I146 Y289 E290 K296 L297I146-Q293 HydrophobicContact CD1-CB 4.32Å; I146-Q293 HydrophobicContact CD1-CG 4.47Å; I146-Q293 HydrophobicContact CG1-CG 4.46Å; I146-Q293 HydrophobicContact CG2-CB 4.35Å; I146-Q293 HydrophobicContact CG2-CG 3.76Å; Y289-Q293 HydrophobicContact CE1-CB 4.36Å; Y289-Q293 HydrophobicContact CE1-CG 4.42Å; Y289-Q293 HydrophobicContact CE2-CB 4.29Å; Y289-Q293 WeakPolarHBondContact O-CB 3.35Å; Y289-Q293 PolarHBondContact O-N 3.49Å; E290-Q293 PolarHBondContact O-N 3.37Å; Q293-K296 PolarHBondContact O-N 3.41Å; Q293-L297 WeakPolarHBondContact O-CG 3.24Å; Q293-L297 PolarHBondContact O-N 3.5Å; Q293-L297 VanDerWaalsContact O-N 3.09Å
294G90.4Very high89Confident0 Ų048.5 Ų48.50%025%0.254CS..Hα-helixtrans-60.5-47.1175.100000112E290 K296 L297 I298E290-G294 PolarHBondContact O-N 2.83Å; G294-K296 VanDerWaalsContact C-N 3.33Å; G294-K296 PolarHBondContact O-N 2.92Å; G294-L297 PolarHBondContact O-N 3.31Å; G294-I298 VanDerWaalsContact O-CD1 3.31Å; G294-I298 WeakPolarHBondContact O-CD1 3.31Å; G294-I298 WeakPolarHBondContact O-CG1 3.33Å; G294-I298 PolarHBondContact O-N 2.92Å; G294-I298 VanDerWaalsContact O-N 3.15Å
295K89.1Confident88.1Confident93 Ų9350.2 Ų50.240%0.40427%0.265SS..Hα-helixtrans-55.9-45.7174.2-80.5-176.4162.1-172.70112.6Y291 L297 I298 T299Y291-K295 HydrophobicContact CE1-CD 4.04Å; Y291-K295 HydrophobicContact CE2-CD 4.49Å; Y291-K295 VanDerWaalsContact CZ-CE 3.43Å; Y291-K295 PolarHBondContact O-N 3.49Å; Y291-K295 VanDerWaalsContact OH-CE 3.25Å; Y291-K295 WeakPolarHBondContact OH-CE 3.47Å; Y291-K295 PolarHBondContact OH-NZ 3.44Å; K295-L297 VanDerWaalsContact C-N 3.35Å; K295-L297 PolarHBondContact O-N 2.99Å; K295-I298 PolarHBondContact O-N 2.88Å; K295-T299 PolarHBondContact O-N 3.14Å; K295-T299 PolarHBondContact O-OG1 3.22Å; K295-T299 VanDerWaalsContact O-OG1 3.06Å
296K89.5Confident86.8Confident132 Ų13254.7 Ų54.757%0.57429%0.289SS*.Hα-helixtrans-60.1-43.6179.7-176.9179.7177.7179.60112.1F292 Q293 G294 T299 S300F292-K296 PolarHBondContact O-N 2.88Å; Q293-K296 PolarHBondContact O-N 3.41Å; G294-K296 VanDerWaalsContact C-N 3.33Å; G294-K296 PolarHBondContact O-N 2.92Å; K296-T299 PolarHBondContact O-N 2.87Å; K296-S300 PolarHBondContact O-N 3.43Å; K296-S300 VanDerWaalsContact O-N 3.1Å; K296-S300 PolarHBondContact O-OG 3.3Å
297L89.3Confident85.3Confident44 Ų4461.5 Ų61.523%0.2331%0.314CS..Hα-helixtrans-64.3-43.7179.5-68.9173000111.5F145 I146 Q293 G294 K295 T299 S300 E301F145-L297 HydrophobicContact CD1-CD1 4.41Å; F145-L297 HydrophobicContact CE1-CB 4.36Å; F145-L297 HydrophobicContact CE1-CD1 4.18Å; F145-L297 HydrophobicContact CE2-CB 4.37Å; F145-L297 HydrophobicContact CZ-CB 3.85Å; F145-L297 HydrophobicContact CZ-CD1 4.28Å; F145-L297 WeakPolarHBondContact O-CD1 3.23Å; I146-L297 HydrophobicContact CG1-CD1 4.11Å; Q293-L297 WeakPolarHBondContact O-CG 3.24Å; Q293-L297 PolarHBondContact O-N 3.5Å; Q293-L297 VanDerWaalsContact O-N 3.09Å; G294-L297 PolarHBondContact O-N 3.31Å; K295-L297 VanDerWaalsContact C-N 3.35Å; K295-L297 PolarHBondContact O-N 2.99Å; L297-T299 PolarHBondContact O-N 2.72Å; L297-S300 WeakPolarHBondContact CA-OG 3.41Å; L297-S300 PolarHBondContact O-N 3.35Å; L297-S300 VanDerWaalsContact O-N 3.13Å; L297-S300 PolarHBondContact O-OG 2.85Å; L297-E301 PolarHBondContact O-N 2.69Å
298I84.9Confident83.7Confident22 Ų2264.5 Ų64.511%0.11333%0.33CS..Hα-helixtrans-63.8-44.2178.2-64.1154.1000111.6F145 G294 K295 S300 E301 N302 Y371F145-I298 HydrophobicContact CZ-CG1 4.13Å; G294-I298 VanDerWaalsContact O-CD1 3.31Å; G294-I298 WeakPolarHBondContact O-CD1 3.31Å; G294-I298 WeakPolarHBondContact O-CG1 3.33Å; G294-I298 PolarHBondContact O-N 2.92Å; G294-I298 VanDerWaalsContact O-N 3.15Å; K295-I298 PolarHBondContact O-N 2.88Å; I298-S300 PolarHBondContact O-N 3.04Å; I298-E301 PolarHBondContact O-N 3.22Å; I298-E301 VanDerWaalsContact O-N 3.15Å; I298-N302 PolarHBondContact O-N 2.74Å; I298-Y371 VanDerWaalsContact CD1-CB 3.44Å; I298-Y371 HydrophobicContact CD1-CD1 4.33Å; I298-Y371 HydrophobicContact CD1-CD2 3.18Å; I298-Y371 HydrophobicContact CD1-CE2 3.92Å; I298-Y371 HydrophobicContact CD1-CG 3.38Å
299T85.2Confident82Confident89 Ų8968.2 Ų68.255%0.54635%0.349SS..Hα-helixtrans-58.9-39.1176.1-56.40000110.9K295 K296 L297 C303K295-T299 PolarHBondContact O-N 3.14Å; K295-T299 PolarHBondContact O-OG1 3.22Å; K295-T299 VanDerWaalsContact O-OG1 3.06Å; K296-T299 PolarHBondContact O-N 2.87Å; L297-T299 PolarHBondContact O-N 2.72Å; T299-C303 PolarHBondContact O-N 2.87Å
300S84.7Confident80.1Confident60 Ų6070 Ų7042%0.4236%0.362SS..Hα-helixtrans-69.7-34.8176.1690000113.7K296 L297 I298 S304K296-S300 PolarHBondContact O-N 3.43Å; K296-S300 VanDerWaalsContact O-N 3.1Å; K296-S300 PolarHBondContact O-OG 3.3Å; L297-S300 WeakPolarHBondContact CA-OG 3.41Å; L297-S300 PolarHBondContact O-N 3.35Å; L297-S300 VanDerWaalsContact O-N 3.13Å; L297-S300 PolarHBondContact O-OG 2.85Å; I298-S300 PolarHBondContact O-N 3.04Å; S300-S304 WeakPolarHBondContact O-CB 3.29Å; S300-S304 PolarHBondContact O-N 3.47Å; S300-S304 VanDerWaalsContact O-N 3.09Å; S300-S304 PolarHBondContact O-OG 2.82Å
301E81.1Confident78.2Confident57 Ų5772.7 Ų72.727%0.26638%0.377SS..Hα-helixtrans-66.9-47.9174.5-75.4177.2173.400111.2L297 I298 C303 S304 T305L297-E301 PolarHBondContact O-N 2.69Å; I298-E301 PolarHBondContact O-N 3.22Å; I298-E301 VanDerWaalsContact O-N 3.15Å; E301-C303 VanDerWaalsContact C-N 3.32Å; E301-C303 PolarHBondContact O-N 3.38Å; E301-S304 CarbonylContact O-C 3.59Å; E301-S304 WeakPolarHBondContact O-CA 3.37Å; E301-S304 WeakPolarHBondContact O-CB 3.01Å; E301-S304 PolarHBondContact O-N 3.43Å; E301-T305 PolarHBondContact O-N 3.24Å; E301-T305 PolarHBondContact O-OG1 3.12Å
302N79.3Confident76.3Confident61 Ų6175.3 Ų75.333%0.32639%0.393SS..Hα-helixtrans-61.2-38.9177.6-71.2-6000112.5I298 S304 T305 N306 P367I298-N302 PolarHBondContact O-N 2.74Å; N302-S304 VanDerWaalsContact C-N 3.27Å; N302-S304 PolarHBondContact O-N 2.98Å; N302-T305 WeakPolarHBondContact CA-OG1 3.39Å; N302-T305 PolarHBondContact O-OG1 2.75Å; N302-T305 VanDerWaalsContact O-OG1 3.04Å; N302-N306 VanDerWaalsContact O-CB 3.32Å; N302-N306 WeakPolarHBondContact O-CB 3.22Å; N302-N306 VanDerWaalsContact O-CG 3.28Å; N302-N306 PolarHBondContact O-N 3.13Å; N302-P367 VanDerWaalsContact OD1-CB 3.3Å; N302-P367 WeakPolarHBondContact OD1-CB 3.49Å; N302-P367 WeakPolarHBondContact OD1-CG 3.35Å
303C78.4Confident74.2Confident86 Ų8673.1 Ų73.158%0.58139%0.387SS*.Hα-helixtrans-64-35172.2-84.20000111.9T299 E301 Y307T299-C303 PolarHBondContact O-N 2.87Å; E301-C303 VanDerWaalsContact C-N 3.32Å; E301-C303 PolarHBondContact O-N 3.38Å; C303-Y307 WeakPolarHBondContact O-CB 3.27Å; C303-Y307 PolarHBondContact O-N 2.9Å; C303-Y307 VanDerWaalsContact O-N 3.13Å
304S76.9Confident72.1Confident66 Ų6675.7 Ų75.746%0.46240%0.402SS..Hα-helixtrans-75.4-38.5179.8-56.90000112.3S300 E301 N302 Y307 N308S300-S304 WeakPolarHBondContact O-CB 3.29Å; S300-S304 PolarHBondContact O-N 3.47Å; S300-S304 VanDerWaalsContact O-N 3.09Å; S300-S304 PolarHBondContact O-OG 2.82Å; E301-S304 CarbonylContact O-C 3.59Å; E301-S304 WeakPolarHBondContact O-CA 3.37Å; E301-S304 WeakPolarHBondContact O-CB 3.01Å; E301-S304 PolarHBondContact O-N 3.43Å; N302-S304 VanDerWaalsContact C-N 3.27Å; N302-S304 PolarHBondContact O-N 2.98Å; S304-Y307 PolarHBondContact O-N 3.3Å; S304-N308 PolarHBondContact O-N 3.47Å; S304-N308 PolarHBondContact O-ND2 2.83Å
305T73.2Confident69.8Low56 Ų5682 Ų8234%0.34443%0.43SS..Hα-helixtrans-66.9-50175.153.40000110.3E301 N302 Y307 N308 D309E301-T305 PolarHBondContact O-N 3.24Å; E301-T305 PolarHBondContact O-OG1 3.12Å; N302-T305 WeakPolarHBondContact CA-OG1 3.39Å; N302-T305 PolarHBondContact O-OG1 2.75Å; N302-T305 VanDerWaalsContact O-OG1 3.04Å; T305-Y307 PolarHBondContact O-N 2.84Å; T305-Y307 VanDerWaalsContact O-N 3.16Å; T305-N308 PolarHBondContact O-N 2.79Å; T305-D309 VanDerWaalsContact O-CG 3.31Å; T305-D309 PolarHBondContact O-N 3.43Å
306N65.3Low67.4Low96 Ų9684.3 Ų84.351%0.51344%0.442SS..Hα-helixtrans-59-32.9177.1-74.3-3.7000112.3N302 N310N302-N306 VanDerWaalsContact O-CB 3.32Å; N302-N306 WeakPolarHBondContact O-CB 3.22Å; N302-N306 VanDerWaalsContact O-CG 3.28Å; N302-N306 PolarHBondContact O-N 3.13Å; N306-N310 VanDerWaalsContact O-CB 3.31Å; N306-N310 WeakPolarHBondContact O-CB 3.42Å; N306-N310 PolarHBondContact O-N 2.75Å; N306-N310 PolarHBondContact O-ND2 2.93Å
307Y63.4Low64.8Low155 Ų15584.4 Ų84.461%0.60844%0.442SS*.Hα-helixtrans-68.5-42.8175.1-168.7-86.5000112C303 S304 T305 D311C303-Y307 WeakPolarHBondContact O-CB 3.27Å; C303-Y307 PolarHBondContact O-N 2.9Å; C303-Y307 VanDerWaalsContact O-N 3.13Å; S304-Y307 PolarHBondContact O-N 3.3Å; T305-Y307 PolarHBondContact O-N 2.84Å; T305-Y307 VanDerWaalsContact O-N 3.16Å; Y307-D311 WeakPolarHBondContact CD1-OD2 3.13Å; Y307-D311 WeakPolarHBondContact CE1-OD2 3.26Å; Y307-D311 WeakPolarHBondContact O-CB 3.23Å; Y307-D311 PolarHBondContact O-N 3.36Å
308N62.3Low62.1Low63 Ų6385.8 Ų85.834%0.33746%0.456SS..Hα-helixtrans-72.8-36.8177.8-57.5-51000112.3S304 T305 N310 D311 D312S304-N308 PolarHBondContact O-N 3.47Å; S304-N308 PolarHBondContact O-ND2 2.83Å; T305-N308 PolarHBondContact O-N 2.79Å; N308-N310 VanDerWaalsContact C-N 3.34Å; N308-D311 PolarHBondContact O-N 3.38Å; N308-D312 WeakPolarHBondContact O-CB 3.24Å; N308-D312 PolarHBondContact O-N 3.25Å
309D59.1Low59.9Low91 Ų9192.9 Ų92.949%0.48749%0.489SS..Hα-helixtrans-66.5-39.1177.2-64.4-26000110.4T305 D312 D313T305-D309 VanDerWaalsContact O-CG 3.31Å; T305-D309 PolarHBondContact O-N 3.43Å; D309-D312 PolarHBondContact O-N 2.79Å; D309-D313 VanDerWaalsContact O-CB 3.3Å; D309-D313 WeakPolarHBondContact O-CB 3.36Å; D309-D313 PolarHBondContact O-N 2.64Å
310N55.7Low57.5Low94 Ų9497.3 Ų97.350%0.50350%0.5SS..Hα-helixtrans-67.7-36.4171.4-73.2-46.5000112.2N306 N308 D312 D314N306-N310 VanDerWaalsContact O-CB 3.31Å; N306-N310 WeakPolarHBondContact O-CB 3.42Å; N306-N310 PolarHBondContact O-N 2.75Å; N306-N310 PolarHBondContact O-ND2 2.93Å; N308-N310 VanDerWaalsContact C-N 3.34Å; N310-D312 VanDerWaalsContact C-N 3.34Å; N310-D314 WeakPolarHBondContact O-CA 3.4Å; N310-D314 WeakPolarHBondContact O-CB 3.31Å; N310-D314 PolarHBondContact O-N 2.73Å
311D55.8Low54.9Low61 Ų6199.7 Ų99.733%0.32651%0.512SS..Hα-helixtrans-67.4-33.4174.7-80.2-19.9000112.1Y307 N308 K315Y307-D311 WeakPolarHBondContact CD1-OD2 3.13Å; Y307-D311 WeakPolarHBondContact CE1-OD2 3.26Å; Y307-D311 WeakPolarHBondContact O-CB 3.23Å; Y307-D311 PolarHBondContact O-N 3.36Å; N308-D311 PolarHBondContact O-N 3.38Å; D311-K315 VanDerWaalsContact O-CG 3.32Å; D311-K315 WeakPolarHBondContact O-CG 3.22Å; D311-K315 PolarHBondContact O-N 3.3Å
312D53.5Low52.4Low90 Ų90104 Ų10448%0.48154%0.536SS..Hα-helixtrans-79-37.7176.9-73.2-23.4000111.2N308 D309 N310 K315 E316N308-D312 WeakPolarHBondContact O-CB 3.24Å; N308-D312 PolarHBondContact O-N 3.25Å; D309-D312 PolarHBondContact O-N 2.79Å; N310-D312 VanDerWaalsContact C-N 3.34Å; D312-K315 WeakPolarHBondContact O-CB 3.31Å; D312-K315 PolarHBondContact O-N 2.64Å; D312-K315 IonicContact OD1-NZ 3.51Å; D312-E316 PolarHBondContact O-N 2.79Å
313D49.6Very low49.8Very low76 Ų76107.6 Ų107.641%0.40656%0.555SS.*Hα-helixtrans-66.5-36.1169.2-84.3-11.8000111.9D309 K315 E316 K317D309-D313 VanDerWaalsContact O-CB 3.3Å; D309-D313 WeakPolarHBondContact O-CB 3.36Å; D309-D313 PolarHBondContact O-N 2.64Å; D313-K315 VanDerWaalsContact C-N 3.31Å; D313-E316 CarbonylContact O-C 3.6Å; D313-E316 PolarHBondContact O-N 2.77Å; D313-K317 VanDerWaalsContact O-CB 3.24Å; D313-K317 WeakPolarHBondContact O-CB 3.35Å; D313-K317 WeakPolarHBondContact O-CG 3.4Å; D313-K317 PolarHBondContact O-N 2.69Å
314D46.4Very low47.3Very low98 Ų98113.2 Ų113.252%0.52457%0.569SS.*Hα-helixtrans-72.9-25.6173.6-78.9-23.2000110.8N310 S318N310-D314 WeakPolarHBondContact O-CA 3.4Å; N310-D314 WeakPolarHBondContact O-CB 3.31Å; N310-D314 PolarHBondContact O-N 2.73Å; D314-S318 WeakPolarHBondContact O-CA 3.4Å; D314-S318 WeakPolarHBondContact O-CB 3.31Å; D314-S318 PolarHBondContact O-N 2.84Å; D314-S318 PolarHBondContact O-OG 2.91Å
315K43.1Very low44.6Very low131 Ų131120 Ų12057%0.5759%0.59SS**Hα-helixtrans-71-41.6165.9-80.4173-170.1160.60111.7D311 D312 D313 K317 S318 E319D311-K315 VanDerWaalsContact O-CG 3.32Å; D311-K315 WeakPolarHBondContact O-CG 3.22Å; D311-K315 PolarHBondContact O-N 3.3Å; D312-K315 WeakPolarHBondContact O-CB 3.31Å; D312-K315 PolarHBondContact O-N 2.64Å; D312-K315 IonicContact OD1-NZ 3.51Å; D313-K315 VanDerWaalsContact C-N 3.31Å; K315-K317 VanDerWaalsContact C-N 3.35Å; K315-S318 WeakPolarHBondContact CA-OG 3.44Å; K315-S318 PolarHBondContact O-OG 3.31Å; K315-E319 PolarHBondContact O-N 2.95Å
316E38.5Very low42.3Very low142 Ų142122.6 Ų122.666%0.66461%0.609SS**Hα-helixtrans-72.6-28178.7-153.7172.9-169.200112.4D312 D313D312-E316 PolarHBondContact O-N 2.79Å; D313-E316 CarbonylContact O-C 3.6Å; D313-E316 PolarHBondContact O-N 2.77Å
317K35.4Very low40.2Very low134 Ų134127.1 Ų127.158%0.58363%0.626SS**Hα-helixtrans-89.7-27.6172.9-74.9174.6-178157.50114.1D313 K315 E319 K320 T321D313-K317 VanDerWaalsContact O-CB 3.24Å; D313-K317 WeakPolarHBondContact O-CB 3.35Å; D313-K317 WeakPolarHBondContact O-CG 3.4Å; D313-K317 PolarHBondContact O-N 2.69Å; K315-K317 VanDerWaalsContact C-N 3.35Å; K317-E319 PolarHBondContact O-N 3.48Å; K317-K320 CarbonylContact O-C 3.53Å; K317-K320 WeakPolarHBondContact O-CA 3.49Å; K317-K320 PolarHBondContact O-N 3.47Å; K317-T321 PolarHBondContact O-N 3.28Å
318S32.5Very low38.3Very low73 Ų73128.9 Ų128.951%0.5164%0.637SS.*Hα-helixtrans-71.2-19173.962.10000112.6D314 K315 K320D314-S318 WeakPolarHBondContact O-CA 3.4Å; D314-S318 WeakPolarHBondContact O-CB 3.31Å; D314-S318 PolarHBondContact O-N 2.84Å; D314-S318 PolarHBondContact O-OG 2.91Å; K315-S318 WeakPolarHBondContact CA-OG 3.44Å; K315-S318 PolarHBondContact O-OG 3.31Å; S318-K320 PolarHBondContact O-N 3.42Å
319E38.4Very low36.5Very low172 Ų172130.8 Ų130.880%0.80465%0.653SS**THydrogen-bonded Turntrans-70.1-16.5163.6-76.5-170.7167.800113.3K315 K317K315-E319 PolarHBondContact O-N 2.95Å; K317-E319 PolarHBondContact O-N 3.48Å
320K35.8Very low35Very low182 Ų182132.2 Ų132.279%0.79167%0.67SS**THydrogen-bonded Turntrans-123.4-5.2-175.3-74.9-175.9-179.8170.40117K317 S318K317-K320 CarbonylContact O-C 3.53Å; K317-K320 WeakPolarHBondContact O-CA 3.49Å; K317-K320 PolarHBondContact O-N 3.47Å; S318-K320 PolarHBondContact O-N 3.42Å
321T28.3Very low33.5Very low110 Ų110134.1 Ų134.168%0.67569%0.685SS**  trans-151.986.5171.5-31.80000112.9K317K317-T321 PolarHBondContact O-N 3.28Å
322I29.1Very low32.3Very low148 Ų148135.4 Ų135.476%0.75970%0.7SS**  trans-65.4132.9161.8-62.8171.9000107.9
323N25.8Very low31.3Very low136 Ų136137.9 Ų137.973%0.72771%0.712SS**  trans86.491.2177.2-67.3-39000117.6
324K24.4Very low30.4Very low203 Ų203143.1 Ų143.188%0.88373%0.731SS**  177.5124111-92.7163.1-173.3-179.40110P326K324-P326 WeakPolarHBondContact O-CD 3.31Å
325K21.8Very low29.7Very low208 Ų208143.7 Ų143.790%0.90473%0.734SS**PPolyproline II helixtrans-72.3123.8174-69.7177.9177178.10110.1
326P24Very low29.4Very low112 Ų112141.6 Ų141.673%0.72774%0.736SS**PPolyproline II helixtrans-95.5124.8165.424.5-10.3000110.7K324K324-P326 WeakPolarHBondContact O-CD 3.31Å
327H20.6Very low28.9Very low190 Ų190142.2 Ų142.288%0.8874%0.737SS**PPolyproline II helixtrans-74.5131.6161.7-99.3-82.2000109.3
328F25.2Very low28.5Very low192 Ų192142.1 Ų142.184%0.84274%0.74SS**  trans-125.7133.2163-104.3-87.5000111.3
329P24.5Very low28.4Very low103 Ų103143.3 Ų143.367%0.66974%0.744SS**  trans-86.3135.3-172.432.5-32000112.7T331P329-T331 PolarHBondContact O-N 3.32Å
330S26.5Very low28Very low121 Ų121139.6 Ų139.685%0.84673%0.733SS**  trans-64.5110.7176.255.10000112
331T24.2Very low27.5Very low134 Ų134139.2 Ų139.282%0.82274%0.736SS**  trans-131.875.1171.746.50000111.6P329P329-T331 PolarHBondContact O-N 3.32Å
332S30Very low27.5Very low89 Ų89140.7 Ų140.762%0.62274%0.737SS**  trans-156.6108.915168.80000110.2F334S332-F334 PolarHBondContact O-N 3.47Å
333L33.6Very low27.5Very low142 Ų142139 Ų13974%0.74373%0.734SS**THydrogen-bonded Turntrans-75.18-168.6-146.8102.5000114.4
334F30.9Very low27.7Very low185 Ų185136.5 Ų136.581%0.81173%0.732SS**THydrogen-bonded Turntrans-125-3.7-169.5-96.1-83.6000116.6S332S332-F334 PolarHBondContact O-N 3.47Å
335D31.3Very low28Very low110 Ų110136.4 Ų136.459%0.58873%0.732SS**SBendtrans-104.2-19.1179.8-106.3-30.9000115.3V339D335-V339 WeakPolarHBondContact O-CG2 3.14Å
336S36.3Very low28.4Very low87 Ų87132.2 Ų132.261%0.60872%0.723SS**Hα-helixtrans-79.7-29.9-170.3-165.10000114.4T340S336-T340 PolarHBondContact O-N 2.98Å; S336-T340 PolarHBondContact O-OG1 3.32Å
337K27.4Very low28.7Very low155 Ų155133.9 Ų133.967%0.67472%0.723SS**Hα-helixtrans-82.9-22.8-176-78.4-170.5174.2-175.10114.9V339K337-V339 VanDerWaalsContact C-N 3.32Å
338M28.5Very low29Very low133 Ų133129 Ų12966%0.65571%0.707SS**Hα-helixtrans-76.7-24.5173.7-158.2169.375.300111.9
339V30.7Very low29.4Very low98 Ų98125.2 Ų125.259%0.59470%0.702SS**Hα-helixtrans-77.2-31.2175.8178.70000112D335 K337D335-V339 WeakPolarHBondContact O-CG2 3.14Å; K337-V339 VanDerWaalsContact C-N 3.32Å
340T28.1Very low29.8Very low93 Ų93123.2 Ų123.257%0.57169%0.69SS**Hα-helixtrans-87-19.4-171.9-45.20000114.3S336 T343S336-T340 PolarHBondContact O-N 2.98Å; S336-T340 PolarHBondContact O-OG1 3.32Å; T340-T343 PolarHBondContact O-OG1 3.48Å; T340-T343 VanDerWaalsContact O-OG1 3.09Å
341M26.2Very low30.1Very low174 Ų174120.2 Ų120.286%0.85767%0.667SS**SBendtrans-90.8-11.6178.2-87-174.815300114.7
342M27.7Very low30.7Very low142 Ų142118.3 Ų118.370%0.766%0.655SS**SBendtrans-96.60.1177.4-71-168.6169.500114.2A344M342-A344 VanDerWaalsContact C-N 3.29Å; M342-A344 PolarHBondContact O-N 2.9Å
343T29.7Very low31Very low112 Ų112121.5 Ų121.569%0.68765%0.653SS**THydrogen-bonded Turntrans-82.13.1179.240.50000114.6T340T340-T343 PolarHBondContact O-OG1 3.48Å; T340-T343 VanDerWaalsContact O-OG1 3.09Å
344A30.1Very low31Very low83 Ų83124.4 Ų124.469%0.68665%0.654SS**THydrogen-bonded Turntrans-85.4-18.7-17200000116.5M342M342-A344 VanDerWaalsContact C-N 3.29Å; M342-A344 PolarHBondContact O-N 2.9Å
345K30.9Very low31.2Very low202 Ų202123.8 Ų123.888%0.87865%0.647SS**THydrogen-bonded Turntrans-167.310.6177.6-113.5152.5-168.2-173.80121.2
346T29.7Very low31.6Very low119 Ų119122.2 Ų122.273%0.7364%0.638SS**SBendtrans-135.3109.1-179.548.60000113.1
347M29.7Very low31.4Very low147 Ų147125.8 Ų125.872%0.72464%0.642SS**  trans52101.7166.6-58.2-170.699.500116.2T351M347-T351 HydrophobicContact CE-CG2 4.28Å
348T27Very low31.8Very low89 Ų89122.5 Ų122.555%0.54664%0.639SS.*  trans-59.2142.3170.648.50000111.3S350 T351T348-S350 PolarHBondContact O-N 3.45Å; T348-S350 PolarHBondContact OG1-OG 2.96Å; T348-S350 VanDerWaalsContact OG1-OG 3.09Å; T348-T351 PolarHBondContact O-N 3.33Å; T348-T351 PolarHBondContact O-OG1 3.05Å; T348-T351 VanDerWaalsContact O-OG1 3.13Å
349P34Very low32.1Very low112 Ų112120 Ų12073%0.72763%0.628SS**Hα-helixtrans-53.8-21178-27.133.8000114.7T351 V352 R353P349-T351 PolarHBondContact O-N 3.02Å; P349-V352 PolarHBondContact O-N 2.84Å; P349-R353 PolarHBondContact O-N 3.42Å; P349-R353 VanDerWaalsContact O-N 3.15Å
350S32.4Very low32.4Very low61 Ų61123 Ų12343%0.42764%0.635SS.*Hα-helixtrans-63-24.2175.857.60000113.8T348 R353 R354T348-S350 PolarHBondContact O-N 3.45Å; T348-S350 PolarHBondContact OG1-OG 2.96Å; T348-S350 VanDerWaalsContact OG1-OG 3.09Å; S350-R353 WeakPolarHBondContact O-CB 3.22Å; S350-R353 PolarHBondContact O-N 2.91Å; S350-R354 PolarHBondContact O-N 3.47Å; S350-R354 VanDerWaalsContact O-N 3.16Å
351T33.7Very low32.7Very low57 Ų57128.9 Ų128.935%0.3565%0.647SS.*Hα-helixtrans-78-36.5-180-320000111.9M347 T348 P349 R353 R354 R355M347-T351 HydrophobicContact CE-CG2 4.28Å; T348-T351 PolarHBondContact O-N 3.33Å; T348-T351 PolarHBondContact O-OG1 3.05Å; T348-T351 VanDerWaalsContact O-OG1 3.13Å; P349-T351 PolarHBondContact O-N 3.02Å; T351-R353 VanDerWaalsContact C-N 3.32Å; T351-R354 PolarHBondContact O-N 3.26Å; T351-R355 PolarHBondContact O-N 3.37Å
352V36.5Very low33.4Very low95 Ų95124.1 Ų124.158%0.57663%0.625SS**Hα-helixtrans-64.7-41.4170.2179.80000109.6P349 R354 R355 L356P349-V352 PolarHBondContact O-N 2.84Å; V352-R354 VanDerWaalsContact C-N 3.29Å; V352-R354 PolarHBondContact O-N 3.11Å; V352-R355 PolarHBondContact O-N 2.99Å; V352-L356 HydrophobicContact CG1-CD1 3.9Å; V352-L356 PolarHBondContact O-N 3.49Å
353R37Very low33.6Very low155 Ų155128.4 Ų128.459%0.58563%0.633SS**Hα-helixtrans-60.6-31.6178.1-159.7175.7-161.7178.95.4114.1P349 S350 T351 K357P349-R353 PolarHBondContact O-N 3.42Å; P349-R353 VanDerWaalsContact O-N 3.15Å; S350-R353 WeakPolarHBondContact O-CB 3.22Å; S350-R353 PolarHBondContact O-N 2.91Å; T351-R353 VanDerWaalsContact C-N 3.32Å; R353-K357 WeakPolarHBondContact O-CG 3.3Å
354R33.2Very low34.2Very low204 Ų204126.9 Ų126.977%0.7764%0.639SS**Hα-helixtrans-86.8-29-177-148.9-177.2-72.2165.2-4.6113S350 T351 V352S350-R354 PolarHBondContact O-N 3.47Å; S350-R354 VanDerWaalsContact O-N 3.16Å; T351-R354 PolarHBondContact O-N 3.26Å; V352-R354 VanDerWaalsContact C-N 3.29Å; V352-R354 PolarHBondContact O-N 3.11Å
355R34.9Very low34.6Very low172 Ų172127 Ų12765%0.64963%0.625SS**Hα-helixtrans-86-27.1-176.1-139.3-176.9-96.9-166.3-6.3113.7T351 V352 S358T351-R355 PolarHBondContact O-N 3.37Å; V352-R355 PolarHBondContact O-N 2.99Å; R355-S358 PolarHBondContact O-OG 2.8Å
356L39Very low35.4Very low76 Ų76122.2 Ų122.240%0.39861%0.61SS.*Hα-helixtrans-83.1-25.7173.9-70.7167.8000112.9V352 S358 D359V352-L356 HydrophobicContact CG1-CD1 3.9Å; V352-L356 PolarHBondContact O-N 3.49Å; L356-S358 PolarHBondContact O-N 3Å; L356-D359 PolarHBondContact O-N 3.31Å
357K32.9Very low36.4Very low162 Ų162118.2 Ų118.270%0.70459%0.586SS**THydrogen-bonded Turntrans-63.4-22.3174.6-90.3-172.6175.5-168.10114R353R353-K357 WeakPolarHBondContact O-CG 3.3Å
358S35.3Very low37.4Very low86 Ų86115.1 Ų115.160%0.60158%0.575SS**THydrogen-bonded Turntrans-85-10.8179.853.50000114.1R355 L356 H360R355-S358 PolarHBondContact O-OG 2.8Å; L356-S358 PolarHBondContact O-N 3Å; S358-H360 PolarHBondContact O-N 3.5Å
359D36.2Very low38.7Very low80 Ų80113.3 Ų113.343%0.42857%0.566SS.*  trans-90.884.1178.1-147.9-15.9000110.3L356 R361 L362L356-D359 PolarHBondContact O-N 3.31Å; D359-R361 PolarHBondContact O-N 3.48Å; D359-L362 PolarHBondContact O-N 3.01Å
360H35.1Very low40Very low161 Ų161109.1 Ų109.175%0.74554%0.539SS*.THydrogen-bonded Turntrans-54.9-14.4179.1-85.9-83.2000113.9S358 L362S358-H360 PolarHBondContact O-N 3.5Å; H360-L362 VanDerWaalsContact C-N 3.34Å; H360-L362 PolarHBondContact O-N 3.36Å
361R35.5Very low41.4Very low218 Ų218107.8 Ų107.882%0.82352%0.524SS*.THydrogen-bonded Turntrans-75.8-14.6179.7-64.6-176.4-177.7-170.11.9114.6D359D359-R361 PolarHBondContact O-N 3.48Å
362L40.2Very low42.6Very low73 Ų73110.4 Ų110.438%0.38253%0.533SS..SBendtrans-105.8-4.7-174.7-66.1172.2000114.3D359 H360 G364 Q365 T370D359-L362 PolarHBondContact O-N 3.01Å; H360-L362 VanDerWaalsContact C-N 3.34Å; H360-L362 PolarHBondContact O-N 3.36Å; L362-G364 PolarHBondContact O-N 3.38Å; L362-Q365 PolarHBondContact O-N 3.45Å; L362-T370 HydrophobicContact CD2-CG2 4.34Å
363R32.5Very low44.1Very low233 Ų233110.6 Ų110.688%0.87953%0.53SS*.THydrogen-bonded Turntrans-7489.5178.2-161.8179-168.7-162.11.5109.5
364G41.5Very low45.7Very low79 Ų79104.3 Ų104.381%0.81451%0.507SS*.THydrogen-bonded Turntrans128.9-0.4175.600000115.8L362L362-G364 PolarHBondContact O-N 3.38Å
365Q39.2Very low47.8Very low85 Ų8597 Ų9740%0.39748%0.479SS..  trans-82.2132.9173.2-67.7-171.66.600110.8L362L362-Q365 PolarHBondContact O-N 3.45Å
366N48.1Very low50Low103 Ų10392.9 Ų92.955%0.55147%0.47SS*.  trans-58.1128172.3-162.7-20000108.6T368 S369 T370N366-T368 PolarHBondContact O-N 2.73Å; N366-T368 PolarHBondContact OD1-OG1 3.41Å; N366-S369 WeakPolarHBondContact O-CA 3.35Å; N366-S369 VanDerWaalsContact O-CB 3.26Å; N366-S369 WeakPolarHBondContact O-CB 3.42Å; N366-S369 PolarHBondContact O-N 3.18Å; N366-T370 PolarHBondContact O-N 3.24Å; N366-T370 VanDerWaalsContact O-N 3.09Å; N366-T370 PolarHBondContact O-OG1 3.19Å
367P50.3Low52.4Low35 Ų3593.6 Ų93.623%0.22747%0.47CS..Hα-helixtrans-53.4-30.1-175.5-28.133.5000114N302 T370 Y371N302-P367 VanDerWaalsContact OD1-CB 3.3Å; N302-P367 WeakPolarHBondContact OD1-CB 3.49Å; N302-P367 WeakPolarHBondContact OD1-CG 3.35Å; P367-T370 PolarHBondContact O-N 2.83Å; P367-Y371 PolarHBondContact O-N 3.18Å
368T51.3Low55.2Low81 Ų8186.8 Ų86.850%0.49744%0.44SS..Hα-helixtrans-66.4-40.7173.251.80000112.6N366 Y371 H372N366-T368 PolarHBondContact O-N 2.73Å; N366-T368 PolarHBondContact OD1-OG1 3.41Å; T368-Y371 PolarHBondContact O-N 3.21Å; T368-H372 PolarHBondContact O-CD2 2.76Å; T368-H372 PolarHBondContact O-N 2.86Å
369S54.3Low57.9Low51 Ų5185.6 Ų85.636%0.35743%0.427SS..Hα-helixtrans-64.5-43.8173.7-178.80000111N366 Y371 H372 N373N366-S369 WeakPolarHBondContact O-CA 3.35Å; N366-S369 VanDerWaalsContact O-CB 3.26Å; N366-S369 WeakPolarHBondContact O-CB 3.42Å; N366-S369 PolarHBondContact O-N 3.18Å; S369-Y371 VanDerWaalsContact C-N 3.31Å; S369-Y371 PolarHBondContact O-N 2.86Å; S369-H372 PolarHBondContact O-N 3.39Å; S369-N373 WeakPolarHBondContact O-CB 3.4Å; S369-N373 VanDerWaalsContact O-CG 3.25Å; S369-N373 PolarHBondContact O-N 3.43Å; S369-N373 PolarHBondContact O-ND2 3.07Å
370T60.1Low60.4Low25 Ų2586.1 Ų86.115%0.15343%0.425CS..Hα-helixtrans-57.5-43.3175.2-46.20000111.5L362 N366 P367 Y374L362-T370 HydrophobicContact CD2-CG2 4.34Å; N366-T370 PolarHBondContact O-N 3.24Å; N366-T370 VanDerWaalsContact O-N 3.09Å; N366-T370 PolarHBondContact O-OG1 3.19Å; P367-T370 PolarHBondContact O-N 2.83Å; T370-Y374 WeakPolarHBondContact O-CB 3.4Å; T370-Y374 PolarHBondContact O-N 3.16Å
371Y61.7Low63.1Low32 Ų3280.1 Ų80.113%0.12541%0.407CS..Hα-helixtrans-64.6-46.2175.7177.1-120.7000113.6I298 P367 T368 S369 N373 Y374 R375I298-Y371 VanDerWaalsContact CD1-CB 3.44Å; I298-Y371 HydrophobicContact CD1-CD1 4.33Å; I298-Y371 HydrophobicContact CD1-CD2 3.18Å; I298-Y371 HydrophobicContact CD1-CE2 3.92Å; I298-Y371 HydrophobicContact CD1-CG 3.38Å; P367-Y371 PolarHBondContact O-N 3.18Å; T368-Y371 PolarHBondContact O-N 3.21Å; S369-Y371 VanDerWaalsContact C-N 3.31Å; S369-Y371 PolarHBondContact O-N 2.86Å; Y371-N373 VanDerWaalsContact C-N 3.29Å; Y371-N373 PolarHBondContact O-N 3.45Å; Y371-Y374 PolarHBondContact O-N 2.9Å; Y371-R375 HydrophobicContact CE2-CB 4.44Å; Y371-R375 WeakPolarHBondContact O-CB 3.24Å; Y371-R375 PolarHBondContact O-N 3.28Å
372H60.5Low65.8Low113 Ų11374.9 Ų74.952%0.52339%0.394SS..Hα-helixtrans-62.2-39.8179.5-83-71.2000111.6T368 S369T368-H372 PolarHBondContact O-CD2 2.76Å; T368-H372 PolarHBondContact O-N 2.86Å; S369-H372 PolarHBondContact O-N 3.39Å
373N66.3Low68.3Low98 Ų9880.7 Ų80.752%0.52441%0.411SS..Hα-helixtrans-63.7-46.6174.9-69.7-20.2000111.2S369 Y371S369-N373 WeakPolarHBondContact O-CB 3.4Å; S369-N373 VanDerWaalsContact O-CG 3.25Å; S369-N373 PolarHBondContact O-N 3.43Å; S369-N373 PolarHBondContact O-ND2 3.07Å; Y371-N373 VanDerWaalsContact C-N 3.29Å; Y371-N373 PolarHBondContact O-N 3.45Å
374Y71.9Confident71.1Confident23 Ų2373.6 Ų73.69%0.0939%0.39CS..Hα-helixtrans-63.7-43.2178.3174.8-91.7000113.2D143 F145 I146 T370 Y371 N376 F377D143-Y374 HydrophobicContact CB-CD2 4.13Å; D143-Y374 HydrophobicContact CB-CE2 3.47Å; D143-Y374 VanDerWaalsContact CB-CE2 3.47Å; D143-Y374 WeakPolarHBondContact OD1-CE2 3.23Å; D143-Y374 PolarHBondContact OD2-OH 2.99Å; F145-Y374 HydrophobicContact CB-CD2 3.55Å; F145-Y374 HydrophobicContact CB-CE2 3.64Å; F145-Y374 HydrophobicContact CB-CG 4.47Å; F145-Y374 AromaticContact CD1-CD1 3.83Å; F145-Y374 HydrophobicContact CD1-CD1 3.83Å; F145-Y374 AromaticContact CD1-CD2 3.39Å; F145-Y374 HydrophobicContact CD1-CD2 3.39Å; F145-Y374 HydrophobicContact CD1-CE1 4.11Å; F145-Y374 AromaticContact CD1-CE2 3.6Å; F145-Y374 HydrophobicContact CD1-CE2 3.6Å; F145-Y374 AromaticContact CD1-CG 3.51Å; F145-Y374 HydrophobicContact CD1-CG 3.51Å; F145-Y374 HydrophobicContact CE1-CD1 4.18Å; F145-Y374 HydrophobicContact CE1-CD2 4.4Å; F145-Y374 HydrophobicContact CE1-CG 4.11Å; F145-Y374 AromaticContact CG-CD2 3.8Å; F145-Y374 HydrophobicContact CG-CD2 3.8Å; F145-Y374 HydrophobicContact CG-CE2 4.08Å; F145-Y374 HydrophobicContact CG-CG 4.26Å; I146-Y374 HydrophobicContact CB-CE2 4.42Å; I146-Y374 VanDerWaalsContact CB-OH 3.22Å; I146-Y374 WeakPolarHBondContact CB-OH 3.47Å; I146-Y374 HydrophobicContact CD1-CD1 4.42Å; I146-Y374 HydrophobicContact CD1-CE1 3.35Å; I146-Y374 VanDerWaalsContact CD1-CZ 3.45Å; I146-Y374 WeakPolarHBondContact CD1-OH 3.31Å; I146-Y374 HydrophobicContact CG1-CE1 3.74Å; I146-Y374 HydrophobicContact CG1-CE2 4.08Å; I146-Y374 VanDerWaalsContact CG1-CZ 3.41Å; I146-Y374 WeakPolarHBondContact CG1-OH 3.39Å; T370-Y374 WeakPolarHBondContact O-CB 3.4Å; T370-Y374 PolarHBondContact O-N 3.16Å; Y371-Y374 PolarHBondContact O-N 2.9Å; Y374-N376 PolarHBondContact O-N 3.25Å; Y374-N376 VanDerWaalsContact O-N 3.07Å; Y374-F377 WeakPolarHBondContact O-CB 3.34Å; Y374-F377 PolarHBondContact O-N 3.36Å
375R76.1Confident73.6Confident52 Ų5269.8 Ų69.820%0.19635%0.352CS..Hα-helixtrans-60.9-25.6-172.3180172.2166.8-165.9-17112.8W280 I284 Y371W280-R375 VanDerWaalsContact CH2-NH2 3.34Å; I284-R375 HydrophobicContact CD1-CG 4.34Å; I284-R375 VanDerWaalsContact CD1-NE 3.33Å; Y371-R375 HydrophobicContact CE2-CB 4.44Å; Y371-R375 WeakPolarHBondContact O-CB 3.24Å; Y371-R375 PolarHBondContact O-N 3.28Å
376N81.7Confident76.1Confident84 Ų8469.3 Ų69.345%0.44935%0.351SS..THydrogen-bonded Turntrans-96.81.7177.6-70.3-36.7000113.7Y374 Y378 N379Y374-N376 PolarHBondContact O-N 3.25Å; Y374-N376 VanDerWaalsContact O-N 3.07Å; N376-Y378 VanDerWaalsContact C-N 3.29Å; N376-Y378 PolarHBondContact O-N 3.42Å; N376-N379 HydrophobicContact CB-CB 4.32Å; N376-N379 VanDerWaalsContact O-CB 3.25Å; N376-N379 WeakPolarHBondContact O-CB 3.47Å; N376-N379 PolarHBondContact O-N 3.42Å
377F89Confident78.1Confident91 Ų9168.2 Ų68.240%0.39935%0.345SS..THydrogen-bonded Turntrans-54.7-42.4-173.8-175.3-91.1000113.1E141 D143 Y374E141-F377 HydrophobicContact CB-CZ 4.44Å; D143-F377 HydrophobicContact CB-CD1 3.79Å; D143-F377 HydrophobicContact CB-CD2 4.3Å; D143-F377 HydrophobicContact CB-CE1 3.87Å; D143-F377 HydrophobicContact CB-CE2 4.38Å; D143-F377 HydrophobicContact CB-CG 4.02Å; D143-F377 HydrophobicContact CB-CZ 4.18Å; Y374-F377 WeakPolarHBondContact O-CB 3.34Å; Y374-F377 PolarHBondContact O-N 3.36Å
378Y91.6Very high79.9Confident19 Ų1967.2 Ų67.28%0.07534%0.337CS..THydrogen-bonded Turntrans-91.7-0.5177.5-59.9-67.2000113.9Y140 E141 D143 Y147 R162 N285 N376 K380Y140-Y378 HydrophobicContact CD1-CD1 4.12Å; Y140-Y378 HydrophobicContact CD1-CE1 4.37Å; Y140-Y378 HydrophobicContact CG-CE1 4.46Å; E141-Y378 WeakPolarHBondContact O-CE1 3.3Å; E141-Y378 PolarHBondContact O-OH 3.19Å; E141-Y378 VanDerWaalsContact O-OH 3.12Å; D143-Y378 WeakPolarHBondContact OD2-CE2 3.09Å; D143-Y378 PolarHBondContact OD2-OH 2.94Å; Y147-Y378 HydrophobicContact CD2-CE2 4.34Å; Y147-Y378 HydrophobicContact CE2-CE2 4.49Å; R162-Y378 HydrophobicContact CG-CD1 4.29Å; R162-Y378 HydrophobicContact CG-CD2 4.24Å; R162-Y378 HydrophobicContact CG-CE1 3.77Å; R162-Y378 HydrophobicContact CG-CE2 3.75Å; R162-Y378 HydrophobicContact CG-CG 4.49Å; R162-Y378 VanDerWaalsContact CG-CZ 3.49Å; N285-Y378 WeakPolarHBondContact CB-O 3.44Å; N285-Y378 PolarHBondContact ND2-O 3.4Å; N376-Y378 VanDerWaalsContact C-N 3.29Å; N376-Y378 PolarHBondContact O-N 3.42Å; Y378-K380 PolarHBondContact O-N 2.99Å
379N92Very high81.6Confident61 Ų6163.6 Ų63.633%0.32632%0.315SS..  trans-69.3121.9-174.9-172.1-4.8000111.1N376 G381 N385N376-N379 HydrophobicContact CB-CB 4.32Å; N376-N379 VanDerWaalsContact O-CB 3.25Å; N376-N379 WeakPolarHBondContact O-CB 3.47Å; N376-N379 PolarHBondContact O-N 3.42Å; N379-G381 PolarHBondContact OD1-N 2.87Å; N379-N385 PolarHBondContact OD1-ND2 3.13Å
380K90Very high83Confident91 Ų9166.7 Ų66.740%0.39632%0.32SS..  trans-106.98.6-178.4-60.2172-178.6178.70112.9Y378 N384 N385 E388Y378-K380 PolarHBondContact O-N 2.99Å; K380-N384 HydrophobicContact CB-CB 3.65Å; K380-N384 WeakPolarHBondContact O-CB 3.49Å; K380-N384 PolarHBondContact O-ND2 3.38Å; K380-N385 WeakPolarHBondContact CA-OD1 3.41Å; K380-N385 WeakPolarHBondContact CB-OD1 3.38Å; K380-N385 PolarHBondContact N-OD1 2.99Å; K380-E388 VanDerWaalsContact NZ-CD 3.33Å; K380-E388 IonicContact NZ-OE1 2.99Å; K380-E388 PolarHBondContact NZ-OE1 3.1Å; K380-E388 IonicContact NZ-OE2 2.79Å; K380-E388 PolarHBondContact NZ-OE2 3.36Å
381G91.4Very high83.7Confident35 Ų3567.7 Ų67.736%0.36133%0.325SS..  trans85.3152.5-169.600000112.9N379 R383 N384 N385N379-G381 PolarHBondContact OD1-N 2.87Å; G381-R383 PolarHBondContact O-N 3.35Å; G381-N384 PolarHBondContact O-N 2.84Å; G381-N384 VanDerWaalsContact O-N 3.07Å; G381-N385 PolarHBondContact O-N 2.84Å; G381-N385 PolarHBondContact O-ND2 2.94Å; G381-N385 PolarHBondContact O-OD1 3.31Å
382I92.4Very high83.9Confident108 Ų10866.5 Ų66.555%0.55432%0.321SS*.Hα-helixtrans-48.7-51.4-168.7-65.3170.9000112.7L283 N384 N385 L386L283-I382 HydrophobicContact CD2-CB 4.47Å; L283-I382 HydrophobicContact CD2-CG1 4.23Å; L283-I382 HydrophobicContact CD2-CG2 3.72Å; I382-N384 PolarHBondContact O-N 3.19Å; I382-N385 PolarHBondContact O-N 3.29Å; I382-L386 HydrophobicContact CG2-CD1 4.1Å; I382-L386 WeakPolarHBondContact O-CG 3.38Å; I382-L386 PolarHBondContact O-N 2.87Å; I382-L386 VanDerWaalsContact O-N 3.08Å
383R92.5Very high83.6Confident195 Ų19564.6 Ų64.674%0.73632%0.317SS*.Hα-helixtrans-60.7-47-178.6-178.6-179174.6-174.2-1112.3G381 L386 L387G381-R383 PolarHBondContact O-N 3.35Å; R383-L386 PolarHBondContact O-N 3.45Å; R383-L387 HydrophobicContact CG-CD1 4.12Å; R383-L387 WeakPolarHBondContact O-CG 3.31Å; R383-L387 PolarHBondContact O-N 2.68Å
384N91.6Very high82.4Confident84 Ų8463.2 Ų63.245%0.44931%0.313SS..Hα-helixtrans-72.5-33.2-177.3-66.9-30.8000111.9K380 G381 I382 L387 E388K380-N384 HydrophobicContact CB-CB 3.65Å; K380-N384 WeakPolarHBondContact O-CB 3.49Å; K380-N384 PolarHBondContact O-ND2 3.38Å; G381-N384 PolarHBondContact O-N 2.84Å; G381-N384 VanDerWaalsContact O-N 3.07Å; I382-N384 PolarHBondContact O-N 3.19Å; N384-L387 PolarHBondContact O-N 2.72Å; N384-E388 VanDerWaalsContact O-CB 3.32Å; N384-E388 WeakPolarHBondContact O-CB 3.31Å; N384-E388 PolarHBondContact O-N 3.28Å
385N93.1Very high81.1Confident0 Ų065.3 Ų65.30%033%0.328CS..Hα-helixtrans-63.7-43.2174.9-62.7-14.5000111.1I282 L283 N285 N379 K380 G381 I382 E388I282-N385 VanDerWaalsContact O-CB 3.32Å; I282-N385 WeakPolarHBondContact O-CB 3.37Å; L283-N385 PolarHBondContact O-ND2 2.96Å; N285-N385 HydrophobicContact CB-CB 4.37Å; N285-N385 WeakPolarHBondContact CB-OD1 3.45Å; N285-N385 PolarHBondContact ND2-OD1 2.78Å; N379-N385 PolarHBondContact OD1-ND2 3.13Å; K380-N385 WeakPolarHBondContact CA-OD1 3.41Å; K380-N385 WeakPolarHBondContact CB-OD1 3.38Å; K380-N385 PolarHBondContact N-OD1 2.99Å; G381-N385 PolarHBondContact O-N 2.84Å; G381-N385 PolarHBondContact O-ND2 2.94Å; G381-N385 PolarHBondContact O-OD1 3.31Å; I382-N385 PolarHBondContact O-N 3.29Å; N385-E388 PolarHBondContact O-N 3.45Å
386L92Very high79.9Confident75 Ų7565.1 Ų65.139%0.39333%0.328SS..Hα-helixtrans-65.8-44.8174.6-72.5169.6000111.9I282 I382 R383 E388 M389 Y390I282-L386 HydrophobicContact CG2-CD2 3.77Å; I382-L386 HydrophobicContact CG2-CD1 4.1Å; I382-L386 WeakPolarHBondContact O-CG 3.38Å; I382-L386 PolarHBondContact O-N 2.87Å; I382-L386 VanDerWaalsContact O-N 3.08Å; R383-L386 PolarHBondContact O-N 3.45Å; L386-E388 VanDerWaalsContact C-N 3.31Å; L386-E388 PolarHBondContact O-N 3.04Å; L386-M389 WeakPolarHBondContact O-CB 2.94Å; L386-M389 PolarHBondContact O-N 3.5Å; L386-Y390 WeakPolarHBondContact O-CD2 3.45Å
387L90.2Very high78.2Confident79 Ų7964.1 Ų64.141%0.41433%0.327SS..Hα-helixtrans-60.6-41.6177-75.6172.3000111.5R383 N384 M389 Y390 T391R383-L387 HydrophobicContact CG-CD1 4.12Å; R383-L387 WeakPolarHBondContact O-CG 3.31Å; R383-L387 PolarHBondContact O-N 2.68Å; N384-L387 PolarHBondContact O-N 2.72Å; L387-M389 PolarHBondContact O-N 3.44Å; L387-Y390 PolarHBondContact O-N 2.88Å; L387-Y390 VanDerWaalsContact O-N 3.11Å; L387-T391 HydrophobicContact CB-CG2 4.4Å; L387-T391 HydrophobicContact CD2-CG2 4.39Å; L387-T391 VanDerWaalsContact O-CB 3.27Å; L387-T391 WeakPolarHBondContact O-CB 3.44Å; L387-T391 VanDerWaalsContact O-CG2 3.25Å; L387-T391 WeakPolarHBondContact O-CG2 3.39Å; L387-T391 PolarHBondContact O-N 2.92Å; L387-T391 PolarHBondContact O-OG1 2.53Å
388E88.7Confident76Confident14 Ų1465 Ų657%0.06534%0.335CS..Hα-helixtrans-57.8-32.7-179.3-173.4166.1-146.400112.6Y140 R175 N285 K380 N384 N385 L386 Q392Y140-E388 VanDerWaalsContact CE1-OE1 3.25Å; Y140-E388 WeakPolarHBondContact CE1-OE1 3.44Å; Y140-E388 VanDerWaalsContact CZ-OE1 3.26Å; Y140-E388 VanDerWaalsContact OH-CD 3.25Å; Y140-E388 PolarHBondContact OH-OE1 3.15Å; R175-E388 IonicContact NH1-OE1 2.72Å; R175-E388 PolarHBondContact NH1-OE1 2.75Å; R175-E388 IonicContact NH1-OE2 2.69Å; R175-E388 PolarHBondContact NH1-OE2 3.25Å; N285-E388 PolarHBondContact ND2-OE2 3.06Å; N285-E388 PolarHBondContact OD1-OE2 3.45Å; K380-E388 VanDerWaalsContact NZ-CD 3.33Å; K380-E388 IonicContact NZ-OE1 2.99Å; K380-E388 PolarHBondContact NZ-OE1 3.1Å; K380-E388 IonicContact NZ-OE2 2.79Å; K380-E388 PolarHBondContact NZ-OE2 3.36Å; N384-E388 VanDerWaalsContact O-CB 3.32Å; N384-E388 WeakPolarHBondContact O-CB 3.31Å; N384-E388 PolarHBondContact O-N 3.28Å; N385-E388 PolarHBondContact O-N 3.45Å; L386-E388 VanDerWaalsContact C-N 3.31Å; L386-E388 PolarHBondContact O-N 3.04Å; E388-Q392 HydrophobicContact CG-CG 4.14Å; E388-Q392 VanDerWaalsContact CG-NE2 3.31Å; E388-Q392 WeakPolarHBondContact O-CB 3.48Å; E388-Q392 WeakPolarHBondContact O-CG 3.4Å; E388-Q392 PolarHBondContact O-N 3.34Å; E388-Q392 PolarHBondContact OE1-NE2 3.32Å
389M85.8Confident73.9Confident5 Ų571.5 Ų71.53%0.02536%0.36CS..Hα-helixtrans-67.1-38.1176.6-67.6-174.370.300114.5H192 I196 I282 L386 L387H192-M389 HydrophobicContact CB-CE 4.37Å; H192-M389 WeakPolarHBondContact ND1-CE 3.44Å; I196-M389 HydrophobicContact CB-CE 4.11Å; I196-M389 HydrophobicContact CG1-CE 3.37Å; I282-M389 HydrophobicContact CB-SD 3.92Å; I282-M389 HydrophobicContact CD1-CE 3.5Å; I282-M389 VanDerWaalsContact CD1-CE 3.5Å; I282-M389 HydrophobicContact CD1-SD 3.41Å; I282-M389 WeakPolarHBondContact CD1-SD 3.42Å; I282-M389 HydrophobicContact CG1-CE 3.89Å; I282-M389 HydrophobicContact CG1-SD 3.38Å; I282-M389 WeakPolarHBondContact CG1-SD 3.34Å; I282-M389 HydrophobicContact CG2-CG 4.31Å; I282-M389 HydrophobicContact CG2-SD 3.26Å; I282-M389 WeakPolarHBondContact CG2-SD 3.42Å; L386-M389 WeakPolarHBondContact O-CB 2.94Å; L386-M389 PolarHBondContact O-N 3.5Å; L387-M389 PolarHBondContact O-N 3.44Å
390Y84.2Confident71.8Confident117 Ų11772.1 Ų72.146%0.45936%0.361SS..Hα-helixtrans-99.4-14.9-174.5-68.1-76.1000113.3L386 L387 T393L386-Y390 WeakPolarHBondContact O-CD2 3.45Å; L387-Y390 PolarHBondContact O-N 2.88Å; L387-Y390 VanDerWaalsContact O-N 3.11Å; Y390-T393 PolarHBondContact O-OG1 3.35Å
391T75.5Confident69.6Low45 Ų4572.4 Ų72.428%0.27637%0.366SS..Hα-helixtrans-99.8-18.5-177.458.50000113.5L387 T393 T394 T395L387-T391 HydrophobicContact CB-CG2 4.4Å; L387-T391 HydrophobicContact CD2-CG2 4.39Å; L387-T391 VanDerWaalsContact O-CB 3.27Å; L387-T391 WeakPolarHBondContact O-CB 3.44Å; L387-T391 VanDerWaalsContact O-CG2 3.25Å; L387-T391 WeakPolarHBondContact O-CG2 3.39Å; L387-T391 PolarHBondContact O-N 2.92Å; L387-T391 PolarHBondContact O-OG1 2.53Å; T391-T393 PolarHBondContact O-N 3.27Å; T391-T394 PolarHBondContact O-N 3.03Å; T391-T394 VanDerWaalsContact O-N 3.14Å; T391-T394 PolarHBondContact O-OG1 3.38Å; T391-T395 WeakPolarHBondContact O-CB 3.4Å; T391-T395 PolarHBondContact O-N 3.47Å; T391-T395 PolarHBondContact O-OG1 3.14Å
392Q65.1Low67.3Low7 Ų778.7 Ų78.73%0.03338%0.383CS..THydrogen-bonded Turntrans-64-24.9175.1-80.2-173-2.500113Y140 G189 E388 Y396Y140-Q392 PolarHBondContact OH-NE2 3.05Å; G189-Q392 VanDerWaalsContact CA-OE1 3.31Å; G189-Q392 WeakPolarHBondContact O-CB 3.28Å; G189-Q392 PolarHBondContact O-OE1 2.88Å; E388-Q392 HydrophobicContact CG-CG 4.14Å; E388-Q392 VanDerWaalsContact CG-NE2 3.31Å; E388-Q392 WeakPolarHBondContact O-CB 3.48Å; E388-Q392 WeakPolarHBondContact O-CG 3.4Å; E388-Q392 PolarHBondContact O-N 3.34Å; E388-Q392 PolarHBondContact OE1-NE2 3.32Å; Q392-Y396 HydrophobicContact CG-CE2 4.23Å
393T53.5Low65.2Low73 Ų7381.1 Ų81.145%0.44839%0.392SS..THydrogen-bonded Turntrans-68.2-39.4171.144.30000113.1Q190 Y390 T391Q190-T393 WeakPolarHBondContact O-CG2 3.01Å; Y390-T393 PolarHBondContact O-OG1 3.35Å; T391-T393 PolarHBondContact O-N 3.27Å
394T42.5Very low62.9Low70 Ų7080 Ų8043%0.42939%0.388SS..THydrogen-bonded Turntrans-103.7-43.3-165.744.30000113.7T391 Y396 S397 L398T391-T394 PolarHBondContact O-N 3.03Å; T391-T394 VanDerWaalsContact O-N 3.14Å; T391-T394 PolarHBondContact O-OG1 3.38Å; T394-Y396 VanDerWaalsContact C-N 3.35Å; T394-Y396 PolarHBondContact O-N 3.5Å; T394-S397 PolarHBondContact O-N 3.35Å; T394-S397 PolarHBondContact O-OG 3.16Å; T394-L398 PolarHBondContact O-N 3.06Å
395T44.9Very low60.3Low66 Ų6681.4 Ų81.441%0.40540%0.395SS..Hα-helixtrans-67.1-32.3-172.351.40000113.5T391 R399T391-T395 WeakPolarHBondContact O-CB 3.4Å; T391-T395 PolarHBondContact O-N 3.47Å; T391-T395 PolarHBondContact O-OG1 3.14Å; T395-R399 WeakPolarHBondContact O-CB 3.02Å; T395-R399 PolarHBondContact O-N 3.13Å
396Y49.6Very low57.7Low49 Ų4985.3 Ų85.319%0.19242%0.42CS..Hα-helixtrans-80.6-31.7177.9-66.7-78.3000113V135 I139 Q392 T394 L398 R399 E400V135-Y396 HydrophobicContact CG1-CD1 4.06Å; V135-Y396 HydrophobicContact CG1-CE1 4.29Å; I139-Y396 HydrophobicContact CD1-CE1 3.75Å; I139-Y396 HydrophobicContact CD1-CE2 4.16Å; I139-Y396 WeakPolarHBondContact CD1-OH 3.24Å; I139-Y396 HydrophobicContact CG1-CE1 4.19Å; Q392-Y396 HydrophobicContact CG-CE2 4.23Å; T394-Y396 VanDerWaalsContact C-N 3.35Å; T394-Y396 PolarHBondContact O-N 3.5Å; Y396-L398 PolarHBondContact O-N 3.2Å; Y396-R399 PolarHBondContact O-N 2.98Å; Y396-E400 WeakPolarHBondContact O-CB 3.43Å; Y396-E400 PolarHBondContact O-N 3.18Å
397S46Very low55.3Low62 Ų6287.8 Ų87.843%0.43444%0.438SS..Hα-helixtrans-61.5-37.5169.683.10000111.1T394 L401T394-S397 PolarHBondContact O-N 3.35Å; T394-S397 PolarHBondContact O-OG 3.16Å; S397-L401 WeakPolarHBondContact O-CB 3.42Å; S397-L401 WeakPolarHBondContact O-CD1 3.49Å; S397-L401 WeakPolarHBondContact O-CG 3.33Å; S397-L401 PolarHBondContact O-N 3.27Å
398L44.3Very low52.7Low110 Ų11091.7 Ų91.758%0.57645%0.454SS*.Hα-helixtrans-73.1-35.7176.1-71171.9000112.8T394 Y396 L401 K402T394-L398 PolarHBondContact O-N 3.06Å; Y396-L398 PolarHBondContact O-N 3.2Å; L398-L401 HydrophobicContact CD2-CD1 4.19Å; L398-L401 CarbonylContact O-C 3.48Å; L398-L401 WeakPolarHBondContact O-CB 3.35Å; L398-L401 PolarHBondContact O-N 3.01Å; L398-K402 WeakPolarHBondContact O-CB 3.37Å; L398-K402 PolarHBondContact O-N 3.25Å
399R47.1Very low50.2Low156 Ų15699.2 Ų99.259%0.58949%0.494SS*.Hα-helixtrans-72.2-36.6174.1-149.5-180-156.2172.75.5111.6T395 Y396 K402 H403T395-R399 WeakPolarHBondContact O-CB 3.02Å; T395-R399 PolarHBondContact O-N 3.13Å; Y396-R399 PolarHBondContact O-N 2.98Å; R399-K402 PolarHBondContact O-N 2.92Å; R399-H403 PolarHBondContact O-CD2 3.2Å; R399-H403 VanDerWaalsContact O-CD2 3.27Å; R399-H403 PolarHBondContact O-N 3.34Å
400E46.9Very low47.7Very low74 Ų74102.2 Ų102.235%0.34652%0.519SS..Hα-helixtrans-62.6-43.7167.5-84.2-153.3-171.600110.9Y396 K402 H403 R404Y396-E400 WeakPolarHBondContact O-CB 3.43Å; Y396-E400 PolarHBondContact O-N 3.18Å; E400-K402 VanDerWaalsContact C-N 3.28Å; E400-K402 PolarHBondContact O-N 3.45Å; E400-H403 CarbonylContact O-C 3.59Å; E400-H403 PolarHBondContact O-N 3.25Å; E400-R404 WeakPolarHBondContact O-CB 3.42Å; E400-R404 WeakPolarHBondContact O-CG 3.49Å; E400-R404 PolarHBondContact O-N 3.17Å; E400-R404 IonicContact OE2-CZ 3.46Å; E400-R404 IonicContact OE2-NE 2.93Å; E400-R404 PolarHBondContact OE2-NE 2.84Å; E400-R404 IonicContact OE2-NH2 3.48Å; E400-R404 PolarHBondContact OE2-NH2 2.87Å
401L44.3Very low45.4Very low96 Ų96105.6 Ų105.650%0.50354%0.537SS..Hα-helixtrans-60.5-38.3172.1-84.6158.2000111.4S397 L398 R404 L405S397-L401 WeakPolarHBondContact O-CB 3.42Å; S397-L401 WeakPolarHBondContact O-CD1 3.49Å; S397-L401 WeakPolarHBondContact O-CG 3.33Å; S397-L401 PolarHBondContact O-N 3.27Å; L398-L401 HydrophobicContact CD2-CD1 4.19Å; L398-L401 CarbonylContact O-C 3.48Å; L398-L401 WeakPolarHBondContact O-CB 3.35Å; L398-L401 PolarHBondContact O-N 3.01Å; L401-R404 PolarHBondContact O-N 3.27Å; L401-L405 VanDerWaalsContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CB 3.49Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 2.89Å
402K44Very low43.5Very low167 Ų167112.9 Ų112.973%0.72657%0.565SS**Hα-helixtrans-71.1-32.4177.2-165.7173.5-178.7177.10113.1L398 R399 E400L398-K402 WeakPolarHBondContact O-CB 3.37Å; L398-K402 PolarHBondContact O-N 3.25Å; R399-K402 PolarHBondContact O-N 2.92Å; E400-K402 VanDerWaalsContact C-N 3.28Å; E400-K402 PolarHBondContact O-N 3.45Å
403H48.5Very low42.1Very low159 Ų159119.2 Ų119.274%0.73660%0.604SS**Hα-helixtrans-81.2-24.2173.1-83-71.5000113.2R399 E400R399-H403 PolarHBondContact O-CD2 3.2Å; R399-H403 VanDerWaalsContact O-CD2 3.27Å; R399-H403 PolarHBondContact O-N 3.34Å; E400-H403 CarbonylContact O-C 3.59Å; E400-H403 PolarHBondContact O-N 3.25Å
404R43.8Very low41.7Very low173 Ų173131.4 Ų131.465%0.65364%0.642SS**Hα-helixtrans-90.7-23.7176-71-175.8-166.1-15312.2113.6E400 L401 P406E400-R404 WeakPolarHBondContact O-CB 3.42Å; E400-R404 WeakPolarHBondContact O-CG 3.49Å; E400-R404 PolarHBondContact O-N 3.17Å; E400-R404 IonicContact OE2-CZ 3.46Å; E400-R404 IonicContact OE2-NE 2.93Å; E400-R404 PolarHBondContact OE2-NE 2.84Å; E400-R404 IonicContact OE2-NH2 3.48Å; E400-R404 PolarHBondContact OE2-NH2 2.87Å; L401-R404 PolarHBondContact O-N 3.27Å; R404-P406 WeakPolarHBondContact O-CD 3.35Å
405L36.7Very low41.6Very low112 Ų112134.5 Ų134.559%0.58665%0.652SS**SBendtrans-60.5107.2163.8-85163.4000105.3L401 V407L401-L405 VanDerWaalsContact O-CB 3.24Å; L401-L405 WeakPolarHBondContact O-CB 3.49Å; L401-L405 WeakPolarHBondContact O-CG 3.36Å; L401-L405 PolarHBondContact O-N 2.89Å; L405-V407 PolarHBondContact O-N 3.15Å
406P38.8Very low41.4Very low82 Ų82138.1 Ų138.153%0.53267%0.666SS.*  trans-58.3137.8177-15.429.7000106.6R404 Q408R404-P406 WeakPolarHBondContact O-CD 3.35Å; P406-Q408 HydrophobicContact CB-CB 3.98Å; P406-Q408 HydrophobicContact CB-CG 3.75Å; P406-Q408 PolarHBondContact O-N 3.18Å
407V40.7Very low41Very low128 Ų128143 Ų14378%0.77669%0.692SS**G310 helixtrans-66.139.8164.9-175.70000109.8L405 A410L405-V407 PolarHBondContact O-N 3.15Å; V407-A410 HydrophobicContact CG1-CB 4.41Å
408Q35.7Very low40.7Very low160 Ų160147.8 Ų147.875%0.74871%0.707SS**G310 helixtrans-92.4-0.1178.2-74.9-170.7-2400113.1P406 A410P406-Q408 HydrophobicContact CB-CB 3.98Å; P406-Q408 HydrophobicContact CB-CG 3.75Å; P406-Q408 PolarHBondContact O-N 3.18Å; Q408-A410 VanDerWaalsContact C-N 3.29Å
409L36.4Very low40.5Very low172 Ų172150.1 Ų150.190%0.90172%0.715SS**G310 helixtrans-86.23.9168-93.9147.2000113.8
410A33.8Very low40Very low68 Ų68149.7 Ų149.756%0.56272%0.724SS**G310 helixtrans-88.53.417500000114.8V407 Q408V407-A410 HydrophobicContact CG1-CB 4.41Å; Q408-A410 VanDerWaalsContact C-N 3.29Å
411F36.2Very low39.5Very low188 Ų188155.1 Ų155.183%0.82575%0.751SS**  trans-122.168.3176-70.9-77.7000111.9
412K35.1Very low39.2Very low199 Ų199159.7 Ų159.787%0.86577%0.77SS**  trans-144.865.5157.7-92.5-165178.3-1790110.7
413T35.2Very low38.8Very low140 Ų140159.1 Ų159.186%0.85977%0.773SS**  trans-149.295.1153.344.80000108.5
414R44.4Very low37.9Very low328 Ų328159.1 Ų159.1100%1.23878%0.777SS**  trans-135.30150-125.1-173-166.2-171.84.2108

Retrieved 414 of 414 residues in 129.4 ms (Link to these results)

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