A0A087XV23_POEFO Loading...

V-type proton ATPase subunit C

Subunit of the V1 complex of vacuolar(H+)-ATPase (V-ATPase), a multisubunit enzyme composed of a peripheral complex (V1) that hydrolyzes ATP and a membrane integral complex (V0) that translocates protons. V-ATPase is responsible for acidifying and maintaining the pH of intracellular compartments and in some cell types, is targeted to the plasma membrane, where it is responsible for acidifying the extracellular environment. Subunit C is necessary for the assembly of the catalytic sector of the enzyme and is likely to have a specific function in its catalytic activity.

AlphaFold DB , UniProt , Accession A0A087XV23, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 402 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
1M61.5Low86.5Confident90 Ų9020.7 Ų20.744%0.44311%0.112SC..  0123.70-73.3176.3-90.200109.4D3 D342 R343M1-D3 PolarHBondContact O-N 2.69Å; M1-D342 PolarHBondContact N-OD1 3.1Å; M1-D342 PolarHBondContact N-OD2 3.08Å; M1-D342 CarbonylContact O-C 3.48Å; M1-D342 WeakPolarHBondContact O-CA 3.41Å; M1-R343 HydrophobicContact CB-CB 4.18Å; M1-R343 HydrophobicContact CB-CG 4Å; M1-R343 HydrophobicContact CE-CB 4.25Å; M1-R343 HydrophobicContact CE-CG 4.45Å; M1-R343 PolarHBondContact O-N 3.48Å
2A67.8Low86.7Confident18 Ų1823.8 Ų23.815%0.14913%0.128CC..EExtended strand (participates in β ladder)trans-81.3109.5-176.100000111.5F4 E340 T341 T391A2-F4 HydrophobicContact CB-CE2 4.31Å; A2-E340 HydrophobicContact CB-CG 4.05Å; A2-E340 WeakPolarHBondContact CB-OE1 3.3Å; A2-T341 WeakPolarHBondContact CA-O 3.08Å; A2-T391 PolarHBondContact O-OG1 3.38Å
3D83.4Confident86.8Confident28 Ų2836.2 Ų36.215%0.1518%0.18CC..EExtended strand (participates in β ladder)trans-101.7138.3166.4-74-29.7000108.6M1 T341 R343M1-D3 PolarHBondContact O-N 2.69Å; D3-T341 PolarHBondContact N-O 3.34Å; D3-T341 PolarHBondContact O-N 3.38Å; D3-R343 WeakPolarHBondContact OD2-CG 3.46Å; D3-R343 IonicContact OD2-NE 3.47Å; D3-R343 PolarHBondContact OD2-NE 3.03Å
4F90.5Very high86.9Confident1 Ų139 Ų390%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-104.3128.7179.5-70.2-89.3000110.3A2 W35 M120 I123 T124 L338 L339 E340 I389 T391A2-F4 HydrophobicContact CB-CE2 4.31Å; F4-W35 HydrophobicContact CE1-CZ3 4.19Å; F4-M120 HydrophobicContact CD2-SD 4.3Å; F4-M120 HydrophobicContact CE2-CE 3.87Å; F4-M120 HydrophobicContact CE2-SD 3.21Å; F4-M120 WeakPolarHBondContact CE2-SD 3.38Å; F4-M120 HydrophobicContact CZ-CG 4.42Å; F4-M120 HydrophobicContact CZ-SD 3.45Å; F4-M120 WeakPolarHBondContact CZ-SD 3.47Å; F4-I123 HydrophobicContact CD1-CG2 4.16Å; F4-I123 HydrophobicContact CE1-CG2 4.49Å; F4-I123 HydrophobicContact CG-CG2 4.4Å; F4-T124 HydrophobicContact CE1-CG2 4.24Å; F4-L338 HydrophobicContact CB-CD1 4.02Å; F4-L338 HydrophobicContact CD1-CD1 3.92Å; F4-L338 HydrophobicContact CD1-CD2 4.02Å; F4-L338 HydrophobicContact CD1-CG 4.02Å; F4-L338 HydrophobicContact CE1-CD2 4.38Å; F4-L338 HydrophobicContact CG-CD1 4.39Å; F4-L339 CarbonylContact C-O 3.55Å; F4-L339 VanDerWaalsContact CA-O 3.29Å; F4-L339 WeakPolarHBondContact CA-O 3.47Å; F4-E340 HydrophobicContact CD1-CB 4.05Å; F4-E340 HydrophobicContact CE1-CB 3.76Å; F4-E340 HydrophobicContact CE1-CG 4.06Å; F4-E340 HydrophobicContact CZ-CB 4.37Å; F4-E340 HydrophobicContact CZ-CG 4.16Å; F4-I389 HydrophobicContact CB-CB 3.97Å; F4-I389 HydrophobicContact CB-CG2 4.49Å; F4-I389 PolarHBondContact N-O 3.21Å; F4-I389 PolarHBondContact O-N 2.93Å; F4-T391 HydrophobicContact CD2-CG2 3.95Å; F4-T391 HydrophobicContact CE2-CG2 4.21Å
5W92.1Very high87.1Confident13 Ų1336.4 Ų36.45%0.04919%0.187CC..EExtended strand (participates in β ladder)trans-115.8119178.7-58.21.1000107.9L339 T341 S346 L349 K350 L353 H388W5-L339 HydrophobicContact CB-CB 4.3Å; W5-L339 PolarHBondContact N-O 3.42Å; W5-L339 PolarHBondContact O-N 3.08Å; W5-T341 HydrophobicContact CD2-CG2 4.17Å; W5-T341 HydrophobicContact CZ2-CG2 3.98Å; W5-S346 VanDerWaalsContact CH2-O 3.25Å; W5-S346 WeakPolarHBondContact CH2-O 3.45Å; W5-L349 HydrophobicContact CE3-CD2 4.02Å; W5-L349 HydrophobicContact CE3-CG 4.38Å; W5-L349 HydrophobicContact CZ3-CB 4.28Å; W5-L349 HydrophobicContact CZ3-CD2 4.03Å; W5-L349 HydrophobicContact CZ3-CG 4Å; W5-K350 HydrophobicContact CH2-CB 3.95Å; W5-K350 HydrophobicContact CZ3-CB 4.16Å; W5-L353 HydrophobicContact CE3-CD1 3.88Å; W5-L353 HydrophobicContact CZ3-CD1 3.93Å; W5-H388 AromaticContact CD1-CE1 3.75Å; W5-H388 AromaticContact CD1-ND1 3.13Å; W5-H388 AromaticContact CD2-CE1 3.79Å; W5-H388 AromaticContact CD2-ND1 3.96Å; W5-H388 AromaticContact CE2-CE1 3.52Å; W5-H388 AromaticContact CE2-ND1 3.65Å; W5-H388 AromaticContact CG-CE1 3.92Å; W5-H388 AromaticContact CG-ND1 3.64Å; W5-H388 AromaticContact CZ2-CE1 3.95Å; W5-H388 AromaticContact NE1-CE1 3.53Å; W5-H388 AromaticContact NE1-ND1 3.16Å; W5-H388 PolarHBondContact NE1-ND1 3.46Å; W5-H388 VanDerWaalsContact NE1-ND1 3.16Å
6L94.1Very high87.2Confident0 Ų038.4 Ų38.40%020%0.198CC..EExtended strand (participates in β ladder)trans-96.1106.6176.2-175.162.4000107.9F37 K316 V320 C386 F387 I389L6-F37 HydrophobicContact CD1-CB 3.72Å; L6-F37 HydrophobicContact CD1-CD1 3.65Å; L6-F37 HydrophobicContact CD1-CD2 3.77Å; L6-F37 HydrophobicContact CD1-CE1 4.15Å; L6-F37 HydrophobicContact CD1-CE2 4.24Å; L6-F37 HydrophobicContact CD1-CG 3.43Å; L6-F37 VanDerWaalsContact CD1-CG 3.43Å; L6-F37 HydrophobicContact CD1-CZ 4.42Å; L6-F37 HydrophobicContact CD2-CD1 4.36Å; L6-F37 HydrophobicContact CD2-CE1 4.08Å; L6-F37 HydrophobicContact CD2-CZ 4.21Å; L6-K316 HydrophobicContact CD2-CB 4.07Å; L6-V320 HydrophobicContact CD2-CG2 3.42Å; L6-V320 VanDerWaalsContact CD2-CG2 3.42Å; L6-V320 HydrophobicContact CG-CG2 3.66Å; L6-C386 WeakPolarHBondContact O-CA 3.38Å; L6-F387 PolarHBondContact N-O 2.86Å; L6-F387 PolarHBondContact O-N 2.79Å; L6-I389 HydrophobicContact CB-CD1 4.31Å
7I93.7Very high87.4Confident0 Ų040.1 Ų40.10%021%0.21CC..EExtended strand (participates in β ladder)trans-104.8151.8-178.966.2164.6000111L22 A336 L337 L339 L353 Y384 I385 C386I7-L22 HydrophobicContact CD1-CD2 4.2Å; I7-A336 CarbonylContact O-C 3.57Å; I7-A336 VanDerWaalsContact O-CA 3.27Å; I7-A336 WeakPolarHBondContact O-CA 3.49Å; I7-L337 HydrophobicContact CD1-CB 4.15Å; I7-L337 HydrophobicContact CD1-CD1 3.98Å; I7-L337 HydrophobicContact CG1-CB 3.72Å; I7-L337 HydrophobicContact CG1-CD1 4.37Å; I7-L337 PolarHBondContact N-O 3.19Å; I7-L337 PolarHBondContact O-N 3.16Å; I7-L339 HydrophobicContact CD1-CD1 3.81Å; I7-L339 HydrophobicContact CD1-CG 4.3Å; I7-L339 HydrophobicContact CG1-CD1 4.22Å; I7-L339 HydrophobicContact CG1-CG 4.36Å; I7-L339 HydrophobicContact CG2-CD1 4.16Å; I7-L353 HydrophobicContact CD1-CD2 4.13Å; I7-Y384 HydrophobicContact CB-CD2 4.44Å; I7-Y384 HydrophobicContact CG2-CD2 4.13Å; I7-Y384 HydrophobicContact CG2-CE2 4.06Å; I7-I385 CarbonylContact C-O 3.58Å; I7-I385 WeakPolarHBondContact CA-O 3.3Å; I7-C386 HydrophobicContact CG2-CB 4.23Å
8S94.1Very high87.6Confident0 Ų038.4 Ų38.40%020%0.202CC..EExtended strand (participates in β ladder)trans-129.9141.1168.9178.70000110.5S324 Y328 Y334 I385S8-S324 WeakPolarHBondContact CB-OG 3.42Å; S8-S324 PolarHBondContact OG-OG 2.62Å; S8-Y328 PolarHBondContact O-OH 3.19Å; S8-Y334 WeakPolarHBondContact OG-CD2 3.32Å; S8-I385 PolarHBondContact N-O 2.85Å
9V92.8Very high87.8Confident1 Ų136.6 Ų36.61%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-140.6146.6-179-62.70000109.6V19 Y334 Q335 F357V9-V19 HydrophobicContact CG2-CG2 3.63Å; V9-Y334 CarbonylContact O-C 3.45Å; V9-Y334 VanDerWaalsContact O-CA 3.26Å; V9-Y334 WeakPolarHBondContact O-CA 3.4Å; V9-Y334 WeakPolarHBondContact O-CB 3.5Å; V9-Q335 HydrophobicContact CG2-CB 4.45Å; V9-Q335 PolarHBondContact N-O 3.42Å; V9-Q335 PolarHBondContact O-N 2.86Å; V9-F357 HydrophobicContact CB-CE1 4.12Å; V9-F357 HydrophobicContact CG1-CD1 3.87Å; V9-F357 HydrophobicContact CG1-CD2 4.48Å; V9-F357 HydrophobicContact CG1-CE1 3.55Å; V9-F357 HydrophobicContact CG1-CE2 4.2Å; V9-F357 HydrophobicContact CG1-CG 4.35Å; V9-F357 HydrophobicContact CG1-CZ 3.74Å
10P92.4Very high88Confident18 Ų1839.9 Ų39.912%0.11721%0.207CC..EExtended strand (participates in β ladder)trans-69.2158.9177.927.1-27.8000111D12 S15 Y328 L360P10-D12 VanDerWaalsContact C-N 3.27Å; P10-D12 PolarHBondContact O-N 3.32Å; P10-S15 WeakPolarHBondContact O-CB 3.42Å; P10-Y328 HydrophobicContact CB-CD1 4.21Å; P10-Y328 HydrophobicContact CB-CD2 4.28Å; P10-Y328 HydrophobicContact CB-CG 4.1Å; P10-Y328 HydrophobicContact CG-CD1 4.15Å; P10-Y328 HydrophobicContact CG-CE1 4.08Å; P10-L360 HydrophobicContact CG-CD1 4.18Å; P10-L360 HydrophobicContact CG-CD2 3.51Å
11L89.7Confident88.1Confident59 Ų5943 Ų4331%0.30922%0.219SC..  trans-91.134.5-178.7-78171.4000113.2L16 N333 Y334 Q335L11-L16 HydrophobicContact CD2-CD2 3.64Å; L11-L16 HydrophobicContact CD2-CG 4.39Å; L11-N333 VanDerWaalsContact CB-OD1 3.28Å; L11-N333 WeakPolarHBondContact CB-OD1 3.28Å; L11-N333 WeakPolarHBondContact CD1-OD1 3.06Å; L11-N333 PolarHBondContact N-O 3.24Å; L11-Y334 WeakPolarHBondContact CD1-O 3.17Å; L11-Q335 HydrophobicContact CD2-CB 3.84Å; L11-Q335 HydrophobicContact CG-CB 4.31Å
12D88.4Confident89.5Confident58 Ų5838.7 Ų38.731%0.3120%0.198SC..SBendtrans-81.5161.4172.573.2-56.7000111.8P10 T14 S15 L16P10-D12 VanDerWaalsContact C-N 3.27Å; P10-D12 PolarHBondContact O-N 3.32Å; D12-T14 PolarHBondContact O-N 2.92Å; D12-T14 WeakPolarHBondContact OD2-CB 3.46Å; D12-T14 PolarHBondContact OD2-N 3.12Å; D12-S15 PolarHBondContact O-N 3.01Å; D12-S15 WeakPolarHBondContact OD1-CB 3.33Å; D12-S15 PolarHBondContact OD1-N 3.08Å; D12-S15 PolarHBondContact OD1-OG 2.88Å; D12-S15 PolarHBondContact OD2-N 2.99Å; D12-L16 WeakPolarHBondContact O-CB 3.33Å; D12-L16 WeakPolarHBondContact O-CG 3.48Å; D12-L16 PolarHBondContact O-N 3.41Å
13K87.6Confident90.6Very high185 Ų18541.7 Ų41.780%0.80421%0.208SC*.Hα-helixtrans-56.3-38.6-175.9-67.2-177.4-179.6178.60112.6T17K13-T17 PolarHBondContact O-N 2.98Å; K13-T17 VanDerWaalsContact O-N 3.16Å; K13-T17 PolarHBondContact O-OG1 3.2Å
14T88.8Confident90.9Very high75 Ų7547.2 Ų47.246%0.4623%0.226SC..Hα-helixtrans-68.1-50.8-178.8-51.20000110.3D12 L16 T17 S18D12-T14 PolarHBondContact O-N 2.92Å; D12-T14 WeakPolarHBondContact OD2-CB 3.46Å; D12-T14 PolarHBondContact OD2-N 3.12Å; T14-L16 PolarHBondContact O-N 3.19Å; T14-T17 WeakPolarHBondContact O-CB 3.39Å; T14-T17 PolarHBondContact O-N 3.47Å; T14-S18 PolarHBondContact O-N 3.5Å; T14-S18 PolarHBondContact O-OG 2.89Å
15S89.1Confident90.8Very high0 Ų048.8 Ų48.80%024%0.236CC..Hα-helixtrans-65.7-37.2-179.5-56.20000112.8P10 D12 T17 S18 V19 H359P10-S15 WeakPolarHBondContact O-CB 3.42Å; D12-S15 PolarHBondContact O-N 3.01Å; D12-S15 WeakPolarHBondContact OD1-CB 3.33Å; D12-S15 PolarHBondContact OD1-N 3.08Å; D12-S15 PolarHBondContact OD1-OG 2.88Å; D12-S15 PolarHBondContact OD2-N 2.99Å; S15-T17 VanDerWaalsContact C-N 3.34Å; S15-T17 PolarHBondContact O-N 2.89Å; S15-S18 CarbonylContact O-C 3.51Å; S15-S18 WeakPolarHBondContact O-CB 3.2Å; S15-S18 PolarHBondContact O-N 3.31Å; S15-V19 WeakPolarHBondContact O-CG2 3.49Å; S15-V19 PolarHBondContact O-N 3.45Å; S15-H359 PolarHBondContact OG-NE2 2.88Å; S15-H359 VanDerWaalsContact OG-NE2 3.08Å
16L89.1Confident90.6Very high69 Ų6948.5 Ų48.536%0.36124%0.235SC..Hα-helixtrans-59.7-44.9173.2-75.3173.9000111.9L11 D12 T14 S18 V19 E20L11-L16 HydrophobicContact CD2-CD2 3.64Å; L11-L16 HydrophobicContact CD2-CG 4.39Å; D12-L16 WeakPolarHBondContact O-CB 3.33Å; D12-L16 WeakPolarHBondContact O-CG 3.48Å; D12-L16 PolarHBondContact O-N 3.41Å; T14-L16 PolarHBondContact O-N 3.19Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.83Å; L16-V19 PolarHBondContact O-N 3.32Å; L16-E20 PolarHBondContact O-N 3.25Å
17T90.8Very high90.2Very high67 Ų6753.3 Ų53.341%0.41127%0.265SS..Hα-helixtrans-62.6-41.1175.6-54.10000111.1K13 T14 S15 E20 K21K13-T17 PolarHBondContact O-N 2.98Å; K13-T17 VanDerWaalsContact O-N 3.16Å; K13-T17 PolarHBondContact O-OG1 3.2Å; T14-T17 WeakPolarHBondContact O-CB 3.39Å; T14-T17 PolarHBondContact O-N 3.47Å; S15-T17 VanDerWaalsContact C-N 3.34Å; S15-T17 PolarHBondContact O-N 2.89Å; T17-E20 PolarHBondContact O-N 3.26Å; T17-K21 WeakPolarHBondContact O-CG 3.37Å; T17-K21 PolarHBondContact O-N 2.74Å
18S91.1Very high89.8Confident10 Ų1062 Ų627%0.0730%0.303CS..Hα-helixtrans-63.9-38.7174.8-71.60000112.7T14 S15 L16 K21 L22 L356T14-S18 PolarHBondContact O-N 3.5Å; T14-S18 PolarHBondContact O-OG 2.89Å; S15-S18 CarbonylContact O-C 3.51Å; S15-S18 WeakPolarHBondContact O-CB 3.2Å; S15-S18 PolarHBondContact O-N 3.31Å; L16-S18 VanDerWaalsContact C-N 3.32Å; L16-S18 PolarHBondContact O-N 2.83Å; S18-K21 PolarHBondContact O-N 3.35Å; S18-L22 WeakPolarHBondContact O-CB 3.26Å; S18-L22 PolarHBondContact O-N 3.07Å; S18-L356 WeakPolarHBondContact CB-O 3.33Å; S18-L356 PolarHBondContact OG-O 3.41Å
19V90.9Very high89.3Confident4 Ų464.6 Ų64.62%0.02432%0.319CS..Hα-helixtrans-65-41.7174.9168.90000111.6V9 S15 L16 L22 K23 L337 F357V9-V19 HydrophobicContact CG2-CG2 3.63Å; S15-V19 WeakPolarHBondContact O-CG2 3.49Å; S15-V19 PolarHBondContact O-N 3.45Å; L16-V19 PolarHBondContact O-N 3.32Å; V19-L22 WeakPolarHBondContact O-CB 3.44Å; V19-L22 PolarHBondContact O-N 3.22Å; V19-K23 HydrophobicContact CG1-CD 4.38Å; V19-K23 WeakPolarHBondContact O-CG 3.39Å; V19-K23 PolarHBondContact O-N 3.36Å; V19-L337 HydrophobicContact CB-CD1 4.47Å; V19-L337 HydrophobicContact CG1-CD1 3.74Å; V19-L337 HydrophobicContact CG2-CD1 3.87Å; V19-F357 HydrophobicContact CG2-CE1 4.25Å; V19-F357 HydrophobicContact CG2-CZ 3.9Å
20E91.4Very high88.7Confident102 Ų10271.4 Ų71.448%0.47735%0.35SS..Hα-helixtrans-64.3-43175.1-71.4-173.2176.200112L16 T17 L22 K23 R24L16-E20 PolarHBondContact O-N 3.25Å; T17-E20 PolarHBondContact O-N 3.26Å; E20-L22 VanDerWaalsContact C-N 3.34Å; E20-K23 PolarHBondContact O-N 3.14Å; E20-R24 WeakPolarHBondContact O-CG 3.43Å; E20-R24 PolarHBondContact O-N 2.87Å; E20-R24 IonicContact OE2-CZ 3.75Å; E20-R24 IonicContact OE2-NH1 3.99Å; E20-R24 IonicContact OE2-NH2 2.78Å; E20-R24 PolarHBondContact OE2-NH2 3.05Å
21K91.7Very high88Confident104 Ų10470.7 Ų70.745%0.45235%0.345SS..Hα-helixtrans-58.2-47.2173.2-74.2174.8179.71770110.7T17 S18 K23 R24 T25 L356T17-K21 WeakPolarHBondContact O-CG 3.37Å; T17-K21 PolarHBondContact O-N 2.74Å; S18-K21 PolarHBondContact O-N 3.35Å; K21-K23 PolarHBondContact O-N 3.46Å; K21-R24 PolarHBondContact O-N 3.33Å; K21-T25 PolarHBondContact O-N 2.92Å; K21-T25 PolarHBondContact O-OG1 2.64Å; K21-T25 VanDerWaalsContact O-OG1 3.12Å; K21-L356 HydrophobicContact CB-CD2 4.01Å; K21-L356 HydrophobicContact CD-CD2 4.18Å
22L90.6Very high87.6Confident0 Ų069 Ų690%034%0.343CS..Hα-helixtrans-55.3-49.9176.1179.265.2000111.6I7 S18 V19 E20 R24 T25 I26 L339 L349 E352 L353 L356 F357I7-L22 HydrophobicContact CD1-CD2 4.2Å; S18-L22 WeakPolarHBondContact O-CB 3.26Å; S18-L22 PolarHBondContact O-N 3.07Å; V19-L22 WeakPolarHBondContact O-CB 3.44Å; V19-L22 PolarHBondContact O-N 3.22Å; E20-L22 VanDerWaalsContact C-N 3.34Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.21Å; L22-T25 PolarHBondContact O-N 2.77Å; L22-I26 HydrophobicContact CD1-CD1 3.86Å; L22-I26 HydrophobicContact CD1-CG1 4.15Å; L22-I26 HydrophobicContact CD2-CD1 4.45Å; L22-I26 HydrophobicContact CG-CD1 3.78Å; L22-I26 HydrophobicContact CG-CG1 4.41Å; L22-I26 WeakPolarHBondContact O-CB 3.19Å; L22-I26 VanDerWaalsContact O-CG1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 2.83Å; L22-L339 HydrophobicContact CD2-CD1 4.42Å; L22-L339 HydrophobicContact CD2-CD2 4.33Å; L22-L349 HydrophobicContact CD1-CD1 4.24Å; L22-E352 HydrophobicContact CD1-CG 4.49Å; L22-L353 HydrophobicContact CD1-CD2 3.7Å; L22-L353 HydrophobicContact CD1-CG 4.36Å; L22-L353 HydrophobicContact CD2-CD2 3.54Å; L22-L353 HydrophobicContact CG-CD2 4.26Å; L22-L356 HydrophobicContact CB-CD1 3.76Å; L22-L356 HydrophobicContact CD1-CD1 4.06Å; L22-L356 HydrophobicContact CG-CD1 4.5Å; L22-F357 HydrophobicContact CD2-CE2 4.38Å
23K90Very high87.6Confident82 Ų8268.4 Ų68.436%0.35734%0.342SS..Hα-helixtrans-60.4-41.9178.8-73.5176.7179.9177.70112.2V19 E20 K21 T27V19-K23 HydrophobicContact CG1-CD 4.38Å; V19-K23 WeakPolarHBondContact O-CG 3.39Å; V19-K23 PolarHBondContact O-N 3.36Å; E20-K23 PolarHBondContact O-N 3.14Å; K21-K23 PolarHBondContact O-N 3.46Å; K23-T27 WeakPolarHBondContact O-CB 3.5Å; K23-T27 PolarHBondContact O-N 3.3Å; K23-T27 PolarHBondContact O-OG1 3.1Å
24R90.3Very high87.7Confident144 Ų14461.1 Ų61.154%0.54331%0.314SS..Hα-helixtrans-64.2-45.6175.2-68.5177.4-160.7120.47.6111.3E20 K21 L22 T27 K28E20-R24 WeakPolarHBondContact O-CG 3.43Å; E20-R24 PolarHBondContact O-N 2.87Å; E20-R24 IonicContact OE2-CZ 3.75Å; E20-R24 IonicContact OE2-NH1 3.99Å; E20-R24 IonicContact OE2-NH2 2.78Å; E20-R24 PolarHBondContact OE2-NH2 3.05Å; K21-R24 PolarHBondContact O-N 3.33Å; L22-R24 VanDerWaalsContact C-N 3.34Å; L22-R24 PolarHBondContact O-N 3.21Å; R24-T27 PolarHBondContact O-N 2.63Å; R24-K28 WeakPolarHBondContact O-CB 3.37Å; R24-K28 PolarHBondContact O-N 3.22Å
25T87.6Confident87.9Confident33 Ų3361.3 Ų61.320%0.20231%0.307CS..Hα-helixtrans-60.4-49.4177.9-610000110.6K21 L22 T27 K28 T29 L31 E352K21-T25 PolarHBondContact O-N 2.92Å; K21-T25 PolarHBondContact O-OG1 2.64Å; K21-T25 VanDerWaalsContact O-OG1 3.12Å; L22-T25 PolarHBondContact O-N 2.77Å; T25-T27 VanDerWaalsContact C-N 3.31Å; T25-T27 PolarHBondContact O-N 3.33Å; T25-K28 PolarHBondContact O-N 3.37Å; T25-T29 HydrophobicContact CG2-CG2 4.16Å; T25-T29 WeakPolarHBondContact O-CB 3.28Å; T25-T29 WeakPolarHBondContact O-CG2 3.47Å; T25-T29 PolarHBondContact O-N 2.92Å; T25-T29 PolarHBondContact O-OG1 3.29Å; T25-L31 HydrophobicContact CG2-CD1 4.31Å; T25-E352 HydrophobicContact CG2-CG 4.19Å; T25-E352 PolarHBondContact OG1-OE1 2.64Å
26I88Confident88.1Confident7 Ų768 Ų684%0.03634%0.336CS..Hα-helixtrans-56.2-46.2178.4-71.6172.6000110.9L22 H30 L31 G32 C34 L339 L349L22-I26 HydrophobicContact CD1-CD1 3.86Å; L22-I26 HydrophobicContact CD1-CG1 4.15Å; L22-I26 HydrophobicContact CD2-CD1 4.45Å; L22-I26 HydrophobicContact CG-CD1 3.78Å; L22-I26 HydrophobicContact CG-CG1 4.41Å; L22-I26 WeakPolarHBondContact O-CB 3.19Å; L22-I26 VanDerWaalsContact O-CG1 3.28Å; L22-I26 WeakPolarHBondContact O-CG1 3.44Å; L22-I26 PolarHBondContact O-N 2.83Å; I26-H30 WeakPolarHBondContact O-CA 3.18Å; I26-H30 PolarHBondContact O-N 3.08Å; I26-L31 PolarHBondContact O-N 3.36Å; I26-G32 VanDerWaalsContact CG2-C 3.48Å; I26-G32 WeakPolarHBondContact CG2-O 3.37Å; I26-C34 HydrophobicContact CD1-CB 4.01Å; I26-L339 HydrophobicContact CD1-CD2 3.92Å; I26-L349 HydrophobicContact CD1-CD1 4.47Å; I26-L349 HydrophobicContact CG1-CD1 4.41Å
27T85.7Confident88.4Confident102 Ų10265.1 Ų65.163%0.62632%0.32SS*.Hα-helixtrans-65.1-44.4179.2-51.80000111.8K23 R24 T25K23-T27 WeakPolarHBondContact O-CB 3.5Å; K23-T27 PolarHBondContact O-N 3.3Å; K23-T27 PolarHBondContact O-OG1 3.1Å; R24-T27 PolarHBondContact O-N 2.63Å; T25-T27 VanDerWaalsContact C-N 3.31Å; T25-T27 PolarHBondContact O-N 3.33Å
28K86.8Confident88.5Confident182 Ų18264.8 Ų64.879%0.79132%0.321SS*.Hα-helixtrans-70.1-36.8-177.6-178.1177.3179-179.30113.3R24 T25R24-K28 WeakPolarHBondContact O-CB 3.37Å; R24-K28 PolarHBondContact O-N 3.22Å; T25-K28 PolarHBondContact O-N 3.37Å
29T82.6Confident88.7Confident55 Ų5565.6 Ų65.634%0.33732%0.324SS..Hα-helixtrans-100.1-1.9-172.1580000113.1T25 L31T25-T29 HydrophobicContact CG2-CG2 4.16Å; T25-T29 WeakPolarHBondContact O-CB 3.28Å; T25-T29 WeakPolarHBondContact O-CG2 3.47Å; T25-T29 PolarHBondContact O-N 2.92Å; T25-T29 PolarHBondContact O-OG1 3.29Å; T29-L31 PolarHBondContact O-N 3.45Å; T29-L31 VanDerWaalsContact O-N 3.13Å; T29-L31 WeakPolarHBondContact OG1-CD1 3.41Å; T29-L31 WeakPolarHBondContact OG1-CG 3.41Å
30H80.3Confident88.8Confident143 Ų14366.9 Ų66.966%0.66233%0.332SS*.THydrogen-bonded Turntrans48.435.8-172.2-61-77.1000112.5I26 G32 R345I26-H30 WeakPolarHBondContact O-CA 3.18Å; I26-H30 PolarHBondContact O-N 3.08Å; H30-G32 PolarHBondContact O-N 2.99Å; H30-R345 VanDerWaalsContact O-CZ 3.24Å; H30-R345 PolarHBondContact O-NH1 3.33Å
31L77.1Confident88.8Confident4 Ų468.4 Ų68.42%0.02134%0.344CS..  trans-67.1-22.8-179.8-82.6170.2000112.3T25 I26 T29 R345 K348T25-L31 HydrophobicContact CG2-CD1 4.31Å; I26-L31 PolarHBondContact O-N 3.36Å; T29-L31 PolarHBondContact O-N 3.45Å; T29-L31 VanDerWaalsContact O-N 3.13Å; T29-L31 WeakPolarHBondContact OG1-CD1 3.41Å; T29-L31 WeakPolarHBondContact OG1-CG 3.41Å; L31-R345 HydrophobicContact CD2-CB 4.02Å; L31-K348 HydrophobicContact CD2-CB 4.29Å; L31-K348 HydrophobicContact CD2-CD 4.04Å; L31-K348 HydrophobicContact CD2-CG 4.13Å
32G82.6Confident88.9Confident24 Ų2464 Ų6425%0.24733%0.325CS..EExtended strand (participates in β ladder)trans167.6-156.8-174.300000113.8I26 H30 E340I26-G32 VanDerWaalsContact CG2-C 3.48Å; I26-G32 WeakPolarHBondContact CG2-O 3.37Å; H30-G32 PolarHBondContact O-N 2.99Å; G32-E340 CarbonylContact C-O 3.42Å; G32-E340 WeakPolarHBondContact CA-O 3.24Å
33S87.6Confident88.9Confident44 Ų4469.9 Ų69.931%0.30835%0.351SS..EExtended strand (participates in β ladder)trans-126.6152.1175.3-55.30000109.8W35 L339 E340S33-W35 VanDerWaalsContact CB-CZ2 3.42Å; S33-L339 CarbonylContact O-C 3.58Å; S33-L339 WeakPolarHBondContact O-CA 3.33Å; S33-E340 PolarHBondContact N-O 3.14Å; S33-E340 PolarHBondContact O-N 2.87Å; S33-E340 PolarHBondContact OG-OE2 3.29Å
34C90.4Very high88.7Confident32 Ų3268 Ų6822%0.21635%0.346CS..EExtended strand (participates in β ladder)trans-136.1124.4-179.1176.50000110.4I26 L338 L339I26-C34 HydrophobicContact CD1-CB 4.01Å; C34-L338 CarbonylContact C-O 3.6Å; C34-L338 WeakPolarHBondContact CA-O 2.97Å; C34-L339 HydrophobicContact CB-CD2 3.69Å; C34-L339 VanDerWaalsContact SG-CD2 3.51Å
35W92.8Very high88.4Confident79 Ų7963.8 Ų63.830%0.29935%0.347SS..EExtended strand (participates in β ladder)trans-123.4151.6177.4-56.8-90.8000111.2F4 S33 T124 L337 L338 E340F4-W35 HydrophobicContact CE1-CZ3 4.19Å; S33-W35 VanDerWaalsContact CB-CZ2 3.42Å; W35-T124 HydrophobicContact CD2-CG2 4.1Å; W35-T124 HydrophobicContact CE3-CG2 4.08Å; W35-T124 HydrophobicContact CH2-CG2 3.63Å; W35-T124 HydrophobicContact CZ2-CG2 3.74Å; W35-T124 HydrophobicContact CZ3-CG2 3.85Å; W35-L337 CarbonylContact O-C 3.51Å; W35-L337 WeakPolarHBondContact O-CA 3.33Å; W35-L338 HydrophobicContact CB-CB 4.5Å; W35-L338 HydrophobicContact CE3-CB 4.44Å; W35-L338 HydrophobicContact CE3-CD2 3.82Å; W35-L338 HydrophobicContact CE3-CG 4.16Å; W35-L338 HydrophobicContact CZ3-CD2 4.27Å; W35-L338 PolarHBondContact N-O 3.3Å; W35-L338 PolarHBondContact O-N 3.48Å; W35-E340 HydrophobicContact CH2-CB 3.84Å; W35-E340 WeakPolarHBondContact CH2-OE2 3.45Å; W35-E340 HydrophobicContact CZ3-CB 3.55Å
36K92.3Very high88.5Confident142 Ų14267.7 Ų67.762%0.61737%0.365SS*.EExtended strand (participates in β ladder)trans-72.1128.8168.2-176.5179.1177.6-179.90108.7
37F95.2Very high88.5Confident7 Ų773.1 Ų73.13%0.03139%0.394CS..  trans-103.3109.1175.4-169.4-90.7000108.8L6 I39 F126 I313 A317 A336 L338L6-F37 HydrophobicContact CD1-CB 3.72Å; L6-F37 HydrophobicContact CD1-CD1 3.65Å; L6-F37 HydrophobicContact CD1-CD2 3.77Å; L6-F37 HydrophobicContact CD1-CE1 4.15Å; L6-F37 HydrophobicContact CD1-CE2 4.24Å; L6-F37 HydrophobicContact CD1-CG 3.43Å; L6-F37 VanDerWaalsContact CD1-CG 3.43Å; L6-F37 HydrophobicContact CD1-CZ 4.42Å; L6-F37 HydrophobicContact CD2-CD1 4.36Å; L6-F37 HydrophobicContact CD2-CE1 4.08Å; L6-F37 HydrophobicContact CD2-CZ 4.21Å; F37-I39 HydrophobicContact CD1-CD1 3.88Å; F37-I39 HydrophobicContact CD1-CG1 3.58Å; F37-I39 HydrophobicContact CE1-CD1 3.99Å; F37-I39 HydrophobicContact CE1-CG1 3.7Å; F37-I39 PolarHBondContact O-N 3.14Å; F37-F126 HydrophobicContact CD1-CD1 4.06Å; F37-F126 HydrophobicContact CD1-CE1 4.32Å; F37-F126 HydrophobicContact CD2-CB 3.89Å; F37-F126 AromaticContact CD2-CD1 3.97Å; F37-F126 HydrophobicContact CD2-CD1 3.97Å; F37-F126 HydrophobicContact CD2-CG 4.11Å; F37-F126 AromaticContact CE1-CD1 3.53Å; F37-F126 HydrophobicContact CE1-CD1 3.53Å; F37-F126 AromaticContact CE1-CE1 3.53Å; F37-F126 HydrophobicContact CE1-CE1 3.53Å; F37-F126 HydrophobicContact CE1-CG 4.24Å; F37-F126 HydrophobicContact CE1-CZ 4.25Å; F37-F126 HydrophobicContact CE2-CB 3.43Å; F37-F126 VanDerWaalsContact CE2-CB 3.43Å; F37-F126 AromaticContact CE2-CD1 3.43Å; F37-F126 HydrophobicContact CE2-CD1 3.43Å; F37-F126 VanDerWaalsContact CE2-CD1 3.43Å; F37-F126 HydrophobicContact CE2-CD2 4.06Å; F37-F126 HydrophobicContact CE2-CE1 4.18Å; F37-F126 AromaticContact CE2-CG 3.34Å; F37-F126 HydrophobicContact CE2-CG 3.34Å; F37-F126 HydrophobicContact CG-CD1 4.27Å; F37-F126 HydrophobicContact CZ-CB 4.07Å; F37-F126 AromaticContact CZ-CD1 3.18Å; F37-F126 HydrophobicContact CZ-CD1 3.18Å; F37-F126 AromaticContact CZ-CD2 3.91Å; F37-F126 HydrophobicContact CZ-CD2 3.91Å; F37-F126 AromaticContact CZ-CE1 3.44Å; F37-F126 HydrophobicContact CZ-CE1 3.44Å; F37-F126 VanDerWaalsContact CZ-CE1 3.44Å; F37-F126 HydrophobicContact CZ-CE2 4.13Å; F37-F126 AromaticContact CZ-CG 3.42Å; F37-F126 HydrophobicContact CZ-CG 3.42Å; F37-F126 VanDerWaalsContact CZ-CG 3.42Å; F37-F126 AromaticContact CZ-CZ 3.91Å; F37-F126 HydrophobicContact CZ-CZ 3.91Å; F37-I313 HydrophobicContact CE2-CG2 4.14Å; F37-I313 HydrophobicContact CZ-CG2 4.02Å; F37-A317 HydrophobicContact CE1-CB 3.67Å; F37-A317 HydrophobicContact CZ-CB 4.08Å; F37-A336 HydrophobicContact CB-CB 4.09Å; F37-A336 HydrophobicContact CD1-CB 4.27Å; F37-A336 PolarHBondContact N-O 3.27Å; F37-L338 HydrophobicContact CB-CB 4.42Å; F37-L338 HydrophobicContact CD2-CB 4.38Å
38S93.3Very high88.7Confident60 Ų6074 Ų7442%0.4240%0.395SS..  trans-88.4106.6-169.8-60.10000111.1F126S38-F126 WeakPolarHBondContact O-CE1 3.22Å
39I94.8Very high88.8Confident28 Ų2867.6 Ų67.614%0.14437%0.373CS..  trans-104127.1174-53.1175.8000107.2F37 A317 V320 F321 Y334 A336F37-I39 HydrophobicContact CD1-CD1 3.88Å; F37-I39 HydrophobicContact CD1-CG1 3.58Å; F37-I39 HydrophobicContact CE1-CD1 3.99Å; F37-I39 HydrophobicContact CE1-CG1 3.7Å; F37-I39 PolarHBondContact O-N 3.14Å; I39-A317 HydrophobicContact CD1-CB 4.29Å; I39-A317 HydrophobicContact CG1-CB 4.26Å; I39-V320 HydrophobicContact CD1-CB 3.76Å; I39-V320 HydrophobicContact CD1-CG1 3.56Å; I39-F321 HydrophobicContact CG2-CB 4.25Å; I39-F321 HydrophobicContact CG2-CD2 4.26Å; I39-Y334 HydrophobicContact CD1-CE2 4.29Å; I39-A336 HydrophobicContact CD1-CB 3.89Å; I39-A336 HydrophobicContact CG1-CB 4.42Å
40P94.4Very high89.3Confident30 Ų3065.3 Ų65.320%0.19536%0.359CS..  trans-73.4166.9177.432.9-36.7000111L42 W128 T135P40-L42 HydrophobicContact CG-CD2 4.13Å; P40-L42 PolarHBondContact O-N 2.83Å; P40-W128 HydrophobicContact CG-CB 3.77Å; P40-W128 HydrophobicContact CG-CD2 3.78Å; P40-W128 HydrophobicContact CG-CE3 4.39Å; P40-W128 HydrophobicContact CG-CG 3.46Å; P40-W128 VanDerWaalsContact CG-CG 3.46Å; P40-T135 HydrophobicContact CB-CG2 3.96Å; P40-T135 HydrophobicContact CG-CG2 3.72Å
41D90.9Very high89.9Confident134 Ų13461.8 Ų61.872%0.71735%0.347SS*.  trans-66.2125168.7-58.9-42.2000109.8
42L93.7Very high90.6Very high11 Ų1168.6 Ų68.66%0.05837%0.373CS..  trans-112.3151.7178.6-59173.5000109.9P40 V44 W128 T135 L139 L142 L318 F321P40-L42 HydrophobicContact CG-CD2 4.13Å; P40-L42 PolarHBondContact O-N 2.83Å; L42-V44 PolarHBondContact O-N 2.98Å; L42-V44 VanDerWaalsContact O-N 3.09Å; L42-W128 HydrophobicContact CD1-CH2 4.24Å; L42-W128 HydrophobicContact CD2-CH2 4.41Å; L42-W128 HydrophobicContact CD2-CZ2 3.97Å; L42-T135 HydrophobicContact CD2-CG2 3.94Å; L42-L139 HydrophobicContact CB-CD2 3.81Å; L42-L139 HydrophobicContact CD1-CD2 3.83Å; L42-L139 HydrophobicContact CG-CD2 4.46Å; L42-L142 HydrophobicContact CD2-CD1 4.15Å; L42-L318 HydrophobicContact CD1-CD2 3.5Å; L42-F321 HydrophobicContact CB-CD1 4.14Å; L42-F321 HydrophobicContact CB-CD2 4.33Å; L42-F321 HydrophobicContact CB-CE1 3.77Å; L42-F321 HydrophobicContact CB-CE2 4Å; L42-F321 HydrophobicContact CB-CG 4.41Å; L42-F321 HydrophobicContact CB-CZ 3.71Å; L42-F321 HydrophobicContact CD1-CB 4.2Å; L42-F321 HydrophobicContact CD1-CD1 4.07Å; L42-F321 HydrophobicContact CD1-CD2 4.18Å; L42-F321 HydrophobicContact CD1-CG 3.88Å; L42-F321 HydrophobicContact CG-CD2 4.32Å; L42-F321 HydrophobicContact CG-CE2 4.38Å; L42-F321 HydrophobicContact CG-CG 4.45Å; L42-F321 WeakPolarHBondContact O-CZ 3.01Å
43K90.1Very high91.2Very high125 Ų12567.8 Ų67.854%0.54336%0.363SS..BIsolated β-bridgetrans-70.8107.1-177.1-171.9174.2-179.2177.10111.3
44V86.8Confident91.5Very high43 Ų4366.6 Ų66.626%0.26136%0.356SS..  trans-78.8133.9174.5-169.30000109.7L42 L50 F321 V325 V332L42-V44 PolarHBondContact O-N 2.98Å; L42-V44 VanDerWaalsContact O-N 3.09Å; V44-L50 HydrophobicContact CG1-CD2 4.41Å; V44-F321 HydrophobicContact CG2-CE1 3.77Å; V44-F321 HydrophobicContact CG2-CZ 3.71Å; V44-V325 HydrophobicContact CG1-CG1 4.07Å; V44-V325 HydrophobicContact CG2-CG2 4.32Å; V44-V332 HydrophobicContact CG2-CG2 4.26Å
45G83.3Confident91.7Very high54 Ų5469.2 Ų69.256%0.55737%0.367SS*.  trans-91.3-152.8172.200000112.3
46I89.4Confident91.8Very high115 Ų11568.1 Ų68.159%0.5937%0.368SS*.  trans-75.8158.4169.359.9172.7000111.1D48 S49 L50I46-D48 VanDerWaalsContact C-N 3.31Å; I46-D48 HydrophobicContact CD1-CB 4.28Å; I46-D48 HydrophobicContact CG1-CB 4.49Å; I46-D48 PolarHBondContact O-N 2.89Å; I46-S49 WeakPolarHBondContact CG1-OG 3.12Å; I46-S49 WeakPolarHBondContact O-CB 3.44Å; I46-S49 PolarHBondContact O-N 3.26Å; I46-S49 VanDerWaalsContact O-N 3.12Å; I46-L50 PolarHBondContact O-N 3.47Å; I46-L50 VanDerWaalsContact O-N 3.09Å
47L89.6Confident92Very high121 Ų12161.4 Ų61.463%0.63434%0.338SS*.Hα-helixtrans-54.6-44.1-177.5-178.762.2000112.8S49 L50 V51 L326L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 2.86Å; L47-L50 WeakPolarHBondContact O-CA 3.36Å; L47-L50 WeakPolarHBondContact O-CB 3.32Å; L47-L50 PolarHBondContact O-N 2.89Å; L47-V51 HydrophobicContact CD1-CG2 4.46Å; L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 3.45Å; L47-L326 HydrophobicContact CD1-CD2 3.67Å
48D89Confident92Very high121 Ų12164.2 Ų64.265%0.64735%0.353SS*.Hα-helixtrans-57-45.5178178.376.1000112.4I46 L50 V51 R52I46-D48 VanDerWaalsContact C-N 3.31Å; I46-D48 HydrophobicContact CD1-CB 4.28Å; I46-D48 HydrophobicContact CG1-CB 4.49Å; I46-D48 PolarHBondContact O-N 2.89Å; D48-L50 VanDerWaalsContact C-N 3.28Å; D48-L50 PolarHBondContact O-N 2.98Å; D48-V51 PolarHBondContact O-N 3.42Å; D48-R52 PolarHBondContact O-N 3.26Å; D48-R52 VanDerWaalsContact O-N 3.12Å
49S89.8Confident92.1Very high48 Ų4867.8 Ų67.834%0.33636%0.361SS..Hα-helixtrans-65.1-33.1175.7-58.50000112.3I46 L47 V53I46-S49 WeakPolarHBondContact CG1-OG 3.12Å; I46-S49 WeakPolarHBondContact O-CB 3.44Å; I46-S49 PolarHBondContact O-N 3.26Å; I46-S49 VanDerWaalsContact O-N 3.12Å; L47-S49 VanDerWaalsContact C-N 3.33Å; L47-S49 PolarHBondContact O-N 2.86Å; S49-V53 WeakPolarHBondContact O-CB 3.3Å; S49-V53 WeakPolarHBondContact O-CG2 3.47Å; S49-V53 PolarHBondContact O-N 3.28Å
50L91.8Very high92.3Very high6 Ų666.7 Ų66.73%0.03136%0.356CS..Hα-helixtrans-70.5-42.1179.4-169.365.2000111.9V44 I46 L47 D48 V53 A54 L139 V322 V325 L326V44-L50 HydrophobicContact CG1-CD2 4.41Å; I46-L50 PolarHBondContact O-N 3.47Å; I46-L50 VanDerWaalsContact O-N 3.09Å; L47-L50 WeakPolarHBondContact O-CA 3.36Å; L47-L50 WeakPolarHBondContact O-CB 3.32Å; L47-L50 PolarHBondContact O-N 2.89Å; D48-L50 VanDerWaalsContact C-N 3.28Å; D48-L50 PolarHBondContact O-N 2.98Å; L50-V53 PolarHBondContact O-N 2.73Å; L50-A54 PolarHBondContact O-N 3.25Å; L50-L139 HydrophobicContact CD1-CD1 3.69Å; L50-V322 HydrophobicContact CD1-CB 4.16Å; L50-V322 HydrophobicContact CD1-CG1 3.73Å; L50-V322 HydrophobicContact CD1-CG2 3.87Å; L50-V322 HydrophobicContact CG-CG1 4.05Å; L50-V325 HydrophobicContact CD2-CB 3.93Å; L50-V325 HydrophobicContact CD2-CG1 3.51Å; L50-L326 HydrophobicContact CB-CD2 4.27Å; L50-L326 HydrophobicContact CD2-CD2 3.59Å; L50-L326 HydrophobicContact CD2-CG 3.72Å; L50-L326 HydrophobicContact CG-CD1 4.4Å; L50-L326 HydrophobicContact CG-CD2 3.83Å; L50-L326 HydrophobicContact CG-CG 3.91Å
51V92.8Very high92.4Very high69 Ų6965.7 Ų65.742%0.41835%0.349SS..Hα-helixtrans-61.5-47.1174.9174.30000110.4L47 D48 V53 A54 D55 L326L47-V51 HydrophobicContact CD1-CG2 4.46Å; L47-V51 WeakPolarHBondContact O-CG2 3.49Å; L47-V51 PolarHBondContact O-N 3.45Å; D48-V51 PolarHBondContact O-N 3.42Å; V51-V53 VanDerWaalsContact C-N 3.35Å; V51-V53 PolarHBondContact O-N 3.3Å; V51-A54 WeakPolarHBondContact O-CB 3.26Å; V51-A54 PolarHBondContact O-N 3.13Å; V51-A54 VanDerWaalsContact O-N 3.12Å; V51-D55 PolarHBondContact O-N 3Å; V51-L326 HydrophobicContact CG2-CD2 3.98Å
52R92.6Very high92.6Very high148 Ų14862.2 Ų62.256%0.55834%0.339SS*.Hα-helixtrans-59.6-44.6176.2-175.3-176.2133-150.8-2.4112.3D48 A54 D55 D56D48-R52 PolarHBondContact O-N 3.26Å; D48-R52 VanDerWaalsContact O-N 3.12Å; R52-A54 VanDerWaalsContact C-N 3.29Å; R52-A54 PolarHBondContact O-N 3.22Å; R52-D55 PolarHBondContact O-N 3.05Å; R52-D56 IonicContact NE-OD2 2.66Å; R52-D56 PolarHBondContact O-N 2.7Å
53V94.6Very high92.7Very high7 Ų766.4 Ų66.44%0.04236%0.36CS..Hα-helixtrans-63-36.3176.9167.80000111.2S49 L50 V51 D55 D56 L57 L139 V322S49-V53 WeakPolarHBondContact O-CB 3.3Å; S49-V53 WeakPolarHBondContact O-CG2 3.47Å; S49-V53 PolarHBondContact O-N 3.28Å; L50-V53 PolarHBondContact O-N 2.73Å; V51-V53 VanDerWaalsContact C-N 3.35Å; V51-V53 PolarHBondContact O-N 3.3Å; V53-D55 PolarHBondContact O-N 3.04Å; V53-D56 PolarHBondContact O-N 3.15Å; V53-L57 HydrophobicContact CG1-CD1 3.67Å; V53-L57 HydrophobicContact CG1-CG 3.98Å; V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 3.33Å; V53-L139 HydrophobicContact CG1-CB 4.13Å; V53-V322 HydrophobicContact CG1-CG2 4.11Å
54A94.6Very high93Very high19 Ų1960.4 Ų60.416%0.15734%0.335CS..Hα-helixtrans-60.3-45176.200000112.1L50 V51 R52 L57 L58 V322 L326L50-A54 PolarHBondContact O-N 3.25Å; V51-A54 WeakPolarHBondContact O-CB 3.26Å; V51-A54 PolarHBondContact O-N 3.13Å; V51-A54 VanDerWaalsContact O-N 3.12Å; R52-A54 VanDerWaalsContact C-N 3.29Å; R52-A54 PolarHBondContact O-N 3.22Å; A54-L57 PolarHBondContact O-N 2.96Å; A54-L58 PolarHBondContact O-N 2.84Å; A54-V322 HydrophobicContact CB-CG1 3.69Å; A54-L326 HydrophobicContact CB-CD1 3.88Å
55D94.6Very high93.5Very high86 Ų8660.9 Ų60.946%0.4633%0.334SS..Hα-helixtrans-64.8-43.5176.8-73.4-23.9000112.3V51 R52 V53 L57 L58 K59V51-D55 PolarHBondContact O-N 3Å; R52-D55 PolarHBondContact O-N 3.05Å; V53-D55 PolarHBondContact O-N 3.04Å; D55-L57 VanDerWaalsContact C-N 3.35Å; D55-L58 PolarHBondContact O-N 2.9Å; D55-K59 WeakPolarHBondContact O-CG 3.39Å; D55-K59 PolarHBondContact O-N 3.2Å
56D95.4Very high94Very high57 Ų5760.6 Ų60.631%0.30532%0.323SS..Hα-helixtrans-63.6-42.2177.8-71.3-21.6000110.9R52 V53 L58 K59 L60R52-D56 IonicContact NE-OD2 2.66Å; R52-D56 PolarHBondContact O-N 2.7Å; V53-D56 PolarHBondContact O-N 3.15Å; D56-L58 PolarHBondContact O-N 2.78Å; D56-K59 PolarHBondContact O-N 2.8Å; D56-L60 WeakPolarHBondContact O-CB 3.31Å; D56-L60 PolarHBondContact O-N 2.92Å
57L96.3Very high94.4Very high1 Ų155.2 Ų55.21%0.00530%0.296CS..Hα-helixtrans-64.8-37.7176.3-72.4171.4000112.5V53 A54 D55 D61 T143 L315 L318 R319 V322V53-L57 HydrophobicContact CG1-CD1 3.67Å; V53-L57 HydrophobicContact CG1-CG 3.98Å; V53-L57 VanDerWaalsContact O-CB 3.3Å; V53-L57 WeakPolarHBondContact O-CB 3.24Å; V53-L57 WeakPolarHBondContact O-CG 3.42Å; V53-L57 PolarHBondContact O-N 3.33Å; A54-L57 PolarHBondContact O-N 2.96Å; D55-L57 VanDerWaalsContact C-N 3.35Å; L57-D61 WeakPolarHBondContact O-CB 3.36Å; L57-D61 PolarHBondContact O-N 3.13Å; L57-T143 HydrophobicContact CD2-CG2 3.97Å; L57-T143 WeakPolarHBondContact CD2-OG1 3.47Å; L57-T143 HydrophobicContact CG-CG2 4.47Å; L57-L315 HydrophobicContact CD2-CD1 3.33Å; L57-L315 HydrophobicContact CD2-CG 4.37Å; L57-L318 HydrophobicContact CD1-CB 4.11Å; L57-L318 HydrophobicContact CD2-CB 3.95Å; L57-L318 HydrophobicContact CD2-CD1 4.11Å; L57-R319 HydrophobicContact CB-CG 3.71Å; L57-R319 HydrophobicContact CD1-CG 4.2Å; L57-R319 HydrophobicContact CG-CG 4.41Å; L57-V322 HydrophobicContact CD1-CB 4.2Å; L57-V322 HydrophobicContact CD1-CG2 3.76Å
58L94.1Very high94.7Very high66 Ų6649.6 Ų49.635%0.34627%0.266SS..Hα-helixtrans-60.8-47.4175.8177.773.3000111A54 D55 D56 D61 A62A54-L58 PolarHBondContact O-N 2.84Å; D55-L58 PolarHBondContact O-N 2.9Å; D56-L58 PolarHBondContact O-N 2.78Å; L58-D61 PolarHBondContact O-N 3.43Å; L58-A62 PolarHBondContact O-N 3.1Å
59K96.3Very high94.9Very high134 Ų13448.5 Ų48.558%0.58326%0.256SS*.Hα-helixtrans-65-47.8178.7-67169.9-171.6164.40111.2D55 D56 D61 A62 L63D55-K59 WeakPolarHBondContact O-CG 3.39Å; D55-K59 PolarHBondContact O-N 3.2Å; D56-K59 PolarHBondContact O-N 2.8Å; K59-D61 VanDerWaalsContact C-N 3.26Å; K59-D61 PolarHBondContact O-N 2.98Å; K59-A62 PolarHBondContact O-N 3.32Å; K59-L63 WeakPolarHBondContact O-CG 3.41Å; K59-L63 PolarHBondContact O-N 3.29Å
60L97.6Very high95.2Very high6 Ų651.2 Ų51.23%0.03126%0.262CS..Hα-helixtrans-62.9-34.7-179.3-17754.6000111.9D56 L63 T64 T143 I146 N147 V150 L315D56-L60 WeakPolarHBondContact O-CB 3.31Å; D56-L60 PolarHBondContact O-N 2.92Å; L60-L63 PolarHBondContact O-N 3.22Å; L60-T64 VanDerWaalsContact O-CB 3.31Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 2.84Å; L60-T64 PolarHBondContact O-OG1 3.2Å; L60-T143 HydrophobicContact CD2-CG2 3.89Å; L60-I146 HydrophobicContact CD2-CB 4.33Å; L60-I146 HydrophobicContact CD2-CG2 4.08Å; L60-N147 HydrophobicContact CD1-CB 4.11Å; L60-N147 WeakPolarHBondContact CD1-OD1 3.43Å; L60-N147 HydrophobicContact CD2-CB 3.86Å; L60-V150 HydrophobicContact CD1-CB 4.49Å; L60-V150 HydrophobicContact CD1-CG1 4.48Å; L60-L315 HydrophobicContact CB-CD1 4.44Å; L60-L315 HydrophobicContact CB-CD2 4.23Å; L60-L315 HydrophobicContact CD2-CD1 3.69Å; L60-L315 HydrophobicContact CD2-CD2 4.36Å; L60-L315 HydrophobicContact CG-CD1 4.03Å; L60-L315 HydrophobicContact CG-CD2 3.82Å
61D96.5Very high95.4Very high9 Ų951 Ų515%0.04826%0.26CS..Hα-helixtrans-64.4-45.4177.3-179.666.6000112.4L57 L58 K59 T64 E65 W312 L315 K316 R319L57-D61 WeakPolarHBondContact O-CB 3.36Å; L57-D61 PolarHBondContact O-N 3.13Å; L58-D61 PolarHBondContact O-N 3.43Å; K59-D61 VanDerWaalsContact C-N 3.26Å; K59-D61 PolarHBondContact O-N 2.98Å; D61-T64 PolarHBondContact O-N 3.46Å; D61-E65 WeakPolarHBondContact O-CB 3.3Å; D61-E65 PolarHBondContact O-N 2.93Å; D61-W312 PolarHBondContact OD1-NE1 3.04Å; D61-L315 VanDerWaalsContact CA-CD2 3.44Å; D61-L315 HydrophobicContact CB-CD2 3.92Å; D61-K316 WeakPolarHBondContact OD1-CD 3.1Å; D61-K316 WeakPolarHBondContact OD1-CE 3.42Å; D61-K316 IonicContact OD1-NZ 2.91Å; D61-K316 PolarHBondContact OD1-NZ 3Å; D61-K316 IonicContact OD2-NZ 2.66Å; D61-K316 PolarHBondContact OD2-NZ 3.3Å; D61-R319 VanDerWaalsContact CG-NH1 3.35Å; D61-R319 IonicContact OD2-CZ 2.7Å; D61-R319 IonicContact OD2-NH1 2.8Å; D61-R319 PolarHBondContact OD2-NH1 2.89Å
62A95.3Very high95.4Very high61 Ų6147.9 Ų47.950%0.50424%0.241SC..Hα-helixtrans-64.2-41.4175.800000112.2L58 K59 S66L58-A62 PolarHBondContact O-N 3.1Å; K59-A62 PolarHBondContact O-N 3.32Å; A62-S66 WeakPolarHBondContact O-CB 3.42Å; A62-S66 PolarHBondContact O-N 3.41Å
63L96.5Very high95.4Very high98 Ų9845.1 Ų45.151%0.51324%0.235SC..Hα-helixtrans-62.9-45.4175.8-70.2174.1000111.6K59 L60 S66 L67K59-L63 WeakPolarHBondContact O-CG 3.41Å; K59-L63 PolarHBondContact O-N 3.29Å; L60-L63 PolarHBondContact O-N 3.22Å; L63-S66 WeakPolarHBondContact O-CB 3.48Å; L63-S66 PolarHBondContact O-N 3.48Å; L63-L67 PolarHBondContact O-N 3.3Å
64T97.4Very high95.3Very high0 Ų045.5 Ų45.50%024%0.238CC..Hα-helixtrans-64.7-44.3-179.9-53.60000111L60 D61 S66 L67 I68 V150 V308 W312L60-T64 VanDerWaalsContact O-CB 3.31Å; L60-T64 WeakPolarHBondContact O-CB 3.49Å; L60-T64 PolarHBondContact O-N 2.84Å; L60-T64 PolarHBondContact O-OG1 3.2Å; D61-T64 PolarHBondContact O-N 3.46Å; T64-S66 VanDerWaalsContact C-N 3.33Å; T64-S66 PolarHBondContact O-N 3.45Å; T64-L67 PolarHBondContact O-N 3.24Å; T64-I68 HydrophobicContact CG2-CD1 4.22Å; T64-I68 WeakPolarHBondContact O-CG1 3.49Å; T64-I68 PolarHBondContact O-N 2.95Å; T64-V150 HydrophobicContact CG2-CG2 3.94Å; T64-V308 HydrophobicContact CG2-CG1 3.74Å; T64-W312 HydrophobicContact CG2-CB 3.67Å; T64-W312 HydrophobicContact CG2-CG 3.93Å
65E95.2Very high95.3Very high53 Ų5344.8 Ų44.825%0.24823%0.231CC..Hα-helixtrans-60.9-42.1175.2-172.6-178.1158.500111.6D61 L67 I68 K69 W312D61-E65 WeakPolarHBondContact O-CB 3.3Å; D61-E65 PolarHBondContact O-N 2.93Å; E65-L67 PolarHBondContact O-N 3.35Å; E65-I68 PolarHBondContact O-N 2.81Å; E65-K69 WeakPolarHBondContact O-CG 3.39Å; E65-K69 PolarHBondContact O-N 2.89Å; E65-K69 WeakPolarHBondContact OE1-CE 3.27Å; E65-K69 IonicContact OE1-NZ 3.05Å; E65-K69 PolarHBondContact OE1-NZ 2.79Å; E65-W312 HydrophobicContact CB-CZ2 3.92Å; E65-W312 HydrophobicContact CG-CH2 4.2Å; E65-W312 HydrophobicContact CG-CZ2 3.81Å
66S95.3Very high95.1Very high47 Ų4742.2 Ų42.233%0.32922%0.216SC..Hα-helixtrans-60.5-43.9175-170.80000111.8A62 L63 T64 K69 K70A62-S66 WeakPolarHBondContact O-CB 3.42Å; A62-S66 PolarHBondContact O-N 3.41Å; L63-S66 WeakPolarHBondContact O-CB 3.48Å; L63-S66 PolarHBondContact O-N 3.48Å; T64-S66 VanDerWaalsContact C-N 3.33Å; T64-S66 PolarHBondContact O-N 3.45Å; S66-K69 PolarHBondContact O-N 3.5Å; S66-K70 WeakPolarHBondContact O-CG 3.37Å; S66-K70 PolarHBondContact O-N 2.92Å
67L97.1Very high94.8Very high3 Ų344.5 Ų44.52%0.01623%0.225CC..Hα-helixtrans-63.6-42.2177.4179.759.8000112.1L63 T64 E65 K69 K70 T71 V150 V153 E154 L157 V308L63-L67 PolarHBondContact O-N 3.3Å; T64-L67 PolarHBondContact O-N 3.24Å; E65-L67 PolarHBondContact O-N 3.35Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 2.6Å; L67-K70 PolarHBondContact O-N 2.94Å; L67-T71 WeakPolarHBondContact O-CB 3.44Å; L67-T71 PolarHBondContact O-N 3.25Å; L67-T71 PolarHBondContact O-OG1 2.89Å; L67-V150 HydrophobicContact CD2-CG1 3.79Å; L67-V150 VanDerWaalsContact CD2-O 3.3Å; L67-V150 WeakPolarHBondContact CD2-O 3.41Å; L67-V153 HydrophobicContact CD2-CB 4.19Å; L67-V153 HydrophobicContact CD2-CG1 4.19Å; L67-E154 HydrophobicContact CD1-CB 3.91Å; L67-E154 HydrophobicContact CD1-CG 4.17Å; L67-E154 HydrophobicContact CD2-CB 4.11Å; L67-L157 HydrophobicContact CD1-CD2 3.75Å; L67-V308 HydrophobicContact CD2-CG1 4.07Å; L67-V308 HydrophobicContact CD2-CG2 4.11Å; L67-V308 HydrophobicContact CG-CG1 4.38Å
68I95.6Very high94.6Very high2 Ų245 Ų451%0.0123%0.228CC..Hα-helixtrans-59.4-46.1175.5-69.2168.5000110.2T64 E65 T71 C72 F305 V308 F309 W312 M393T64-I68 HydrophobicContact CG2-CD1 4.22Å; T64-I68 WeakPolarHBondContact O-CG1 3.49Å; T64-I68 PolarHBondContact O-N 2.95Å; E65-I68 PolarHBondContact O-N 2.81Å; I68-T71 PolarHBondContact O-N 3.06Å; I68-C72 WeakPolarHBondContact O-CB 3.45Å; I68-C72 PolarHBondContact O-N 3.22Å; I68-F305 HydrophobicContact CG2-CD2 4.31Å; I68-F305 HydrophobicContact CG2-CE2 3.49Å; I68-F305 VanDerWaalsContact CG2-CE2 3.49Å; I68-F305 HydrophobicContact CG2-CZ 3.92Å; I68-V308 HydrophobicContact CD1-CG1 4.14Å; I68-V308 HydrophobicContact CG1-CB 4.3Å; I68-V308 HydrophobicContact CG1-CG1 3.56Å; I68-F309 HydrophobicContact CD1-CB 4.44Å; I68-F309 HydrophobicContact CD1-CD2 4.2Å; I68-F309 HydrophobicContact CG2-CD2 4.4Å; I68-W312 HydrophobicContact CD1-CB 3.69Å; I68-W312 HydrophobicContact CD1-CD2 3.77Å; I68-W312 HydrophobicContact CD1-CE3 3.7Å; I68-W312 HydrophobicContact CD1-CG 3.8Å; I68-M393 HydrophobicContact CG2-CE 3.99Å; I68-M393 HydrophobicContact CG2-CG 4.35Å
69K94.2Very high94.3Very high98 Ų9842.7 Ų42.743%0.42622%0.215SC..Hα-helixtrans-61.2-47.6176.9-72.5174.2-175.7167.60111.7E65 S66 L67 T71 C72 Q73 M393E65-K69 WeakPolarHBondContact O-CG 3.39Å; E65-K69 PolarHBondContact O-N 2.89Å; E65-K69 WeakPolarHBondContact OE1-CE 3.27Å; E65-K69 IonicContact OE1-NZ 3.05Å; E65-K69 PolarHBondContact OE1-NZ 2.79Å; S66-K69 PolarHBondContact O-N 3.5Å; L67-K69 VanDerWaalsContact C-N 3.33Å; L67-K69 PolarHBondContact O-N 2.6Å; K69-T71 PolarHBondContact O-N 3.04Å; K69-C72 PolarHBondContact O-N 2.84Å; K69-Q73 WeakPolarHBondContact O-CB 3.47Å; K69-Q73 PolarHBondContact O-N 3.22Å; K69-M393 HydrophobicContact CG-CB 4.37Å
70K95.3Very high93.6Very high106 Ų10641.6 Ų41.646%0.46121%0.212SC..Hα-helixtrans-60.4-43.2176.7-72173.7-174.1175.20112.1S66 L67 Q73 C74 L157S66-K70 WeakPolarHBondContact O-CG 3.37Å; S66-K70 PolarHBondContact O-N 2.92Å; L67-K70 PolarHBondContact O-N 2.94Å; K70-Q73 PolarHBondContact O-N 3.47Å; K70-C74 WeakPolarHBondContact O-CB 3.43Å; K70-C74 PolarHBondContact O-N 3.49Å; K70-L157 HydrophobicContact CB-CD2 4.33Å
71T95.4Very high92Very high1 Ų146.2 Ų46.21%0.00624%0.243CC..Hα-helixtrans-65.2-43.1178.9-52.70000110.9L67 I68 K69 C74 L75 L301 F305L67-T71 WeakPolarHBondContact O-CB 3.44Å; L67-T71 PolarHBondContact O-N 3.25Å; L67-T71 PolarHBondContact O-OG1 2.89Å; I68-T71 PolarHBondContact O-N 3.06Å; K69-T71 PolarHBondContact O-N 3.04Å; T71-C74 PolarHBondContact O-N 2.98Å; T71-L75 WeakPolarHBondContact O-CB 3.27Å; T71-L75 PolarHBondContact O-N 3.29Å; T71-L301 HydrophobicContact CG2-CD2 3.98Å; T71-F305 HydrophobicContact CG2-CB 3.9Å; T71-F305 HydrophobicContact CG2-CD2 4.15Å
72C92.9Very high90Very high3 Ų349.7 Ų49.72%0.0227%0.265CS..Hα-helixtrans-62.9-44175-1680000111.8I68 K69 L75 K76 F305 M393I68-C72 WeakPolarHBondContact O-CB 3.45Å; I68-C72 PolarHBondContact O-N 3.22Å; K69-C72 PolarHBondContact O-N 2.84Å; C72-L75 WeakPolarHBondContact O-CB 3.2Å; C72-L75 PolarHBondContact O-N 3.39Å; C72-K76 WeakPolarHBondContact O-CG 3.32Å; C72-K76 PolarHBondContact O-N 3.43Å; C72-F305 HydrophobicContact CB-CD2 4.32Å; C72-F305 HydrophobicContact CB-CE2 3.79Å; C72-M393 HydrophobicContact CB-CB 4.48Å; C72-M393 PolarHBondContact SG-O 2.79Å
73Q92.7Very high87.5Confident91 Ų9150.6 Ų50.643%0.42528%0.279SS..Hα-helixtrans-62.1-46.5178.5-177.356.93500111.4K69 K70 L75 K76 E77K69-Q73 WeakPolarHBondContact O-CB 3.47Å; K69-Q73 PolarHBondContact O-N 3.22Å; K70-Q73 PolarHBondContact O-N 3.47Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; Q73-L75 PolarHBondContact O-N 3.11Å; Q73-K76 WeakPolarHBondContact O-CB 3.31Å; Q73-K76 PolarHBondContact O-N 3.33Å; Q73-K76 VanDerWaalsContact O-N 3.12Å; Q73-E77 WeakPolarHBondContact CG-OE1 3.22Å; Q73-E77 PolarHBondContact NE2-OE1 2.91Å; Q73-E77 WeakPolarHBondContact O-CG 3.33Å; Q73-E77 PolarHBondContact O-N 3.3Å
74C93.9Very high84.5Confident15 Ų1551.1 Ų51.110%0.10129%0.287CS..Hα-helixtrans-60.8-41175.3-174.50000111.7K70 T71 K76 E77 V78 L157 F297 L301K70-C74 WeakPolarHBondContact O-CB 3.43Å; K70-C74 PolarHBondContact O-N 3.49Å; T71-C74 PolarHBondContact O-N 2.98Å; C74-K76 VanDerWaalsContact C-N 3.32Å; C74-K76 PolarHBondContact O-N 3.15Å; C74-E77 PolarHBondContact O-N 2.87Å; C74-V78 WeakPolarHBondContact O-CB 3.26Å; C74-V78 WeakPolarHBondContact O-CG2 3.48Å; C74-V78 PolarHBondContact O-N 2.91Å; C74-L157 HydrophobicContact CB-CD1 4.36Å; C74-F297 VanDerWaalsContact SG-CZ 3.59Å; C74-L301 HydrophobicContact CB-CD2 4.34Å
75L92.9Very high81.4Confident3 Ų360.7 Ų60.72%0.01633%0.328CS..Hα-helixtrans-60.1-42.3174.5-174.475000111.9T71 C72 Q73 M79 Y111 L112 V298 L301 K302T71-L75 WeakPolarHBondContact O-CB 3.27Å; T71-L75 PolarHBondContact O-N 3.29Å; C72-L75 WeakPolarHBondContact O-CB 3.2Å; C72-L75 PolarHBondContact O-N 3.39Å; Q73-L75 VanDerWaalsContact C-N 3.31Å; Q73-L75 PolarHBondContact O-N 3.11Å; L75-M79 HydrophobicContact CD1-CG 4.12Å; L75-M79 HydrophobicContact CD1-SD 3.45Å; L75-M79 WeakPolarHBondContact CD1-SD 3.33Å; L75-M79 HydrophobicContact CD2-SD 4.35Å; L75-M79 HydrophobicContact CG-CG 4.44Å; L75-M79 HydrophobicContact CG-SD 3.77Å; L75-M79 VanDerWaalsContact O-CB 3.26Å; L75-M79 WeakPolarHBondContact O-CB 3.46Å; L75-M79 WeakPolarHBondContact O-CG 3.4Å; L75-M79 PolarHBondContact O-N 3.4Å; L75-Y111 HydrophobicContact CD2-CD1 3.89Å; L75-Y111 HydrophobicContact CD2-CE1 3.46Å; L75-Y111 VanDerWaalsContact CD2-CE1 3.46Å; L75-L112 HydrophobicContact CD2-CD2 4.32Å; L75-V298 HydrophobicContact CD1-CG1 4.4Å; L75-L301 HydrophobicContact CB-CD1 4.46Å; L75-L301 HydrophobicContact CD1-CB 3.79Å; L75-L301 HydrophobicContact CD1-CD1 4.12Å; L75-K302 HydrophobicContact CD1-CG 4.13Å
76K90.9Very high78.4Confident33 Ų3363.5 Ų63.514%0.14335%0.349CS..Hα-helixtrans-62.1-50.6176.5-71.1172.2176.5-178.60111.1C72 Q73 C74 V78 M79 E80 L108 L112 M393 E395C72-K76 WeakPolarHBondContact O-CG 3.32Å; C72-K76 PolarHBondContact O-N 3.43Å; Q73-K76 WeakPolarHBondContact O-CB 3.31Å; Q73-K76 PolarHBondContact O-N 3.33Å; Q73-K76 VanDerWaalsContact O-N 3.12Å; C74-K76 VanDerWaalsContact C-N 3.32Å; C74-K76 PolarHBondContact O-N 3.15Å; K76-V78 VanDerWaalsContact C-N 3.31Å; K76-V78 PolarHBondContact O-N 3.26Å; K76-M79 PolarHBondContact O-N 2.93Å; K76-E80 WeakPolarHBondContact O-CB 3.45Å; K76-E80 VanDerWaalsContact O-CG 3.3Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 3.42Å; K76-L108 HydrophobicContact CB-CD1 4.32Å; K76-L108 HydrophobicContact CG-CD1 4.39Å; K76-L112 HydrophobicContact CG-CD1 4.44Å; K76-M393 PolarHBondContact NZ-O 2.84Å; K76-M393 VanDerWaalsContact NZ-O 3.1Å; K76-E395 WeakPolarHBondContact CE-O 3.4Å; K76-E395 PolarHBondContact NZ-O 3.07Å
77E90.1Very high75.2Confident105 Ų10568.9 Ų68.949%0.49137%0.369SS..Hα-helixtrans-60.4-37.7-180-71.9167-16800113.6Q73 C74Q73-E77 WeakPolarHBondContact CG-OE1 3.22Å; Q73-E77 PolarHBondContact NE2-OE1 2.91Å; Q73-E77 WeakPolarHBondContact O-CG 3.33Å; Q73-E77 PolarHBondContact O-N 3.3Å; C74-E77 PolarHBondContact O-N 2.87Å
78V90.6Very high72Confident12 Ų1276.5 Ų76.57%0.07340%0.404CS..Hα-helixtrans-76.9-39.9-179.8175.40000110.9C74 K76 Y164 Y294 F297 V298 L301C74-V78 WeakPolarHBondContact O-CB 3.26Å; C74-V78 WeakPolarHBondContact O-CG2 3.48Å; C74-V78 PolarHBondContact O-N 2.91Å; K76-V78 VanDerWaalsContact C-N 3.31Å; K76-V78 PolarHBondContact O-N 3.26Å; V78-Y164 HydrophobicContact CG1-CE1 4.15Å; V78-Y164 HydrophobicContact CG2-CD1 4.19Å; V78-Y164 HydrophobicContact CG2-CE1 3.96Å; V78-Y294 HydrophobicContact CG1-CD2 3.69Å; V78-Y294 HydrophobicContact CG1-CE2 3.73Å; V78-Y294 WeakPolarHBondContact O-CE2 3.33Å; V78-F297 HydrophobicContact CG1-CD1 4.44Å; V78-F297 HydrophobicContact CG2-CD1 4.05Å; V78-F297 HydrophobicContact CG2-CE1 3.77Å; V78-V298 HydrophobicContact CG1-CG2 3.58Å; V78-L301 HydrophobicContact CG2-CD1 4.46Å
79M88.2Confident68.9Low16 Ų1683.8 Ų83.88%0.07944%0.438CS..Hα-helixtrans-90.5-14.3-174.9-68.4-175.863.400114.7L75 K76 L108 V298L75-M79 HydrophobicContact CD1-CG 4.12Å; L75-M79 HydrophobicContact CD1-SD 3.45Å; L75-M79 WeakPolarHBondContact CD1-SD 3.33Å; L75-M79 HydrophobicContact CD2-SD 4.35Å; L75-M79 HydrophobicContact CG-CG 4.44Å; L75-M79 HydrophobicContact CG-SD 3.77Å; L75-M79 VanDerWaalsContact O-CB 3.26Å; L75-M79 WeakPolarHBondContact O-CB 3.46Å; L75-M79 WeakPolarHBondContact O-CG 3.4Å; L75-M79 PolarHBondContact O-N 3.4Å; K76-M79 PolarHBondContact O-N 2.93Å; M79-L108 HydrophobicContact CB-CB 4.18Å; M79-L108 HydrophobicContact CB-CD1 3.93Å; M79-L108 HydrophobicContact CB-CG 4.35Å; M79-L108 HydrophobicContact CE-CB 4.39Å; M79-V298 HydrophobicContact CG-CG1 4.09Å; M79-V298 HydrophobicContact CG-CG2 3.95Å; M79-V298 HydrophobicContact SD-CG1 3.81Å
80E81.5Confident65.8Low111 Ų11186 Ų8652%0.51945%0.454SS..SBendtrans-65.3129.9171.4-84-175.2179.300109.8K76 T82 L108K76-E80 WeakPolarHBondContact O-CB 3.45Å; K76-E80 VanDerWaalsContact O-CG 3.3Å; K76-E80 WeakPolarHBondContact O-CG 3.32Å; K76-E80 PolarHBondContact O-N 3.42Å; E80-T82 PolarHBondContact O-N 2.98Å; E80-L108 HydrophobicContact CG-CD1 3.64Å
81P63.7Low63Low103 Ų10388.7 Ų88.767%0.66947%0.473SS*.  trans-63.4109.3173.724.7-29.6000108G83P81-G83 PolarHBondContact O-N 3.13Å
82T54.8Low60Low83 Ų8392.8 Ų92.851%0.50951%0.507SS..  trans-51.7117.4159.629.30000106.1E80 V84E80-T82 PolarHBondContact O-N 2.98Å; T82-V84 PolarHBondContact O-N 3Å
83G42.6Very low57.2Low79 Ų79100.8 Ų100.881%0.81455%0.55SS*.SBendtrans-62.827.9-17000000116.4P81 K85P81-G83 PolarHBondContact O-N 3.13Å; G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.33Å
84V34.8Very low54.4Low110 Ų110100.2 Ų100.267%0.66757%0.568SS**  trans-69.595.2162.7-169.40000106.2T82 V86T82-V84 PolarHBondContact O-N 3Å; V84-V86 HydrophobicContact CG1-CG2 3.85Å; V84-V86 PolarHBondContact O-N 2.8Å
85K32.7Very low51.3Low200 Ų200107.2 Ų107.287%0.8760%0.604SS**  trans-57.485.2155.1-66.4177.6-179.21770106.4G83 Q87G83-K85 VanDerWaalsContact C-N 3.29Å; G83-K85 PolarHBondContact O-N 3.33Å; K85-Q87 PolarHBondContact O-N 3.01Å
86V30.5Very low48.9Very low113 Ų113116.3 Ų116.369%0.68565%0.646SS**  trans-65.3102.4159.3178.80000103.4V84 E88V84-V86 HydrophobicContact CG1-CG2 3.85Å; V84-V86 PolarHBondContact O-N 2.8Å; V86-E88 PolarHBondContact O-N 3.31Å
87Q29Very low46Very low159 Ų159117 Ų11774%0.74366%0.663SS**  trans-62.895.1171.4-159.5170.329.500105.2K85 H89K85-Q87 PolarHBondContact O-N 3.01Å; Q87-H89 VanDerWaalsContact C-N 3.26Å; Q87-H89 PolarHBondContact O-N 2.83Å
88E29.8Very low43.2Very low163 Ų163119.3 Ų119.376%0.76268%0.684SS**  trans-59.397.8165.8-80.8175.3158.800106.2V86 D90V86-E88 PolarHBondContact O-N 3.31Å; E88-D90 PolarHBondContact O-N 3.37Å
89H29.5Very low40.4Very low156 Ų156127.4 Ų127.472%0.72272%0.721SS**  trans-71.472.7161-102.6-82.3000107.3Q87 L91Q87-H89 VanDerWaalsContact C-N 3.26Å; Q87-H89 PolarHBondContact O-N 2.83Å; H89-L91 PolarHBondContact O-N 3.47Å
90D30.4Very low37.7Very low143 Ų143135.4 Ų135.477%0.76576%0.758SS**  trans-73.5112.1161.1-92.5-14.4000107.5E88 A92E88-D90 PolarHBondContact O-N 3.37Å; D90-A92 PolarHBondContact O-N 2.84Å
91L35.7Very low35.5Very low164 Ų164140 Ų14086%0.85978%0.776SS**  trans-65.2116172.8-76.1162.9000109.2H89H89-L91 PolarHBondContact O-N 3.47Å
92A32.3Very low34.1Very low87 Ų87140 Ų14072%0.71978%0.779SS**  trans-8.9122.9157.700000117.4D90D90-A92 PolarHBondContact O-N 2.84Å
93N34.3Very low33.6Very low171 Ų171140.2 Ų140.291%0.91479%0.789SS**  -149.2125.4120.8-108.4-10.5000108.9
94G33.9Very low34Very low78 Ų78141.1 Ų141.180%0.80479%0.789SS**  trans-79.1157.9-16500000115
95D29.4Very low35.2Very low162 Ų162139.9 Ų139.987%0.86678%0.782SS**  -159.6146.3129.4-158.35.5000109.9G97D95-G97 PolarHBondContact O-N 2.8Å
96H42.7Very low37.3Very low195 Ų195132.3 Ų132.390%0.90375%0.754SS**  trans-72.3118.3-173.9-88.8-71.2000112.1
97G29.8Very low39.7Very low48 Ų48131.7 Ų131.750%0.49575%0.752SS.*  trans-154.4106.4168.400000112.3D95 H99D95-G97 PolarHBondContact O-N 2.8Å; G97-H99 PolarHBondContact O-N 3.39Å; G97-H99 VanDerWaalsContact O-N 3.14Å
98T31.8Very low42.3Very low152 Ų152124.4 Ų124.493%0.93372%0.718SS**  trans291.8161.232.10000117.1Q100T98-Q100 PolarHBondContact O-N 2.9Å; T98-Q100 VanDerWaalsContact O-N 3.12Å
99H31.2Very low45Very low182 Ų182120.9 Ų120.984%0.84370%0.7SS**  trans-79.991.8169.6-78.4-73.3000111.2G97 K101G97-H99 PolarHBondContact O-N 3.39Å; G97-H99 VanDerWaalsContact O-N 3.14Å; H99-K101 PolarHBondContact O-N 3.21Å; H99-K101 VanDerWaalsContact O-N 3.15Å
100Q30.5Very low47.7Very low185 Ų185117.3 Ų117.386%0.86469%0.69SS**  trans-60.1108.5153.3-156.8168.528.800107.1T98 S102T98-Q100 PolarHBondContact O-N 2.9Å; T98-Q100 VanDerWaalsContact O-N 3.12Å; Q100-S102 PolarHBondContact O-N 2.97Å
101K35.5Very low50.4Low207 Ų207112.4 Ų112.490%0.966%0.661SS**  trans-66.578.1170.6-76.4178.1177.6174.60108.8H99 A103H99-K101 PolarHBondContact O-N 3.21Å; H99-K101 VanDerWaalsContact O-N 3.15Å; K101-A103 PolarHBondContact O-N 3.13Å
102S34.8Very low52.8Low104 Ų104104.8 Ų104.873%0.72762%0.621SS**  trans-61.1113.1160173.20000106.4Q100 A104Q100-S102 PolarHBondContact O-N 2.97Å; S102-A104 VanDerWaalsContact C-N 3.32Å; S102-A104 PolarHBondContact O-N 2.68Å
103A43.8Very low55.5Low87 Ų87103.2 Ų103.272%0.71961%0.608SS**  trans-59.498.8172.700000107.6K101 T105K101-A103 PolarHBondContact O-N 3.13Å; A103-T105 PolarHBondContact O-N 3.43Å
104A51.6Low58Low97 Ų9798.1 Ų98.180%0.80259%0.586SS**  trans-55.6104.9177.600000107.7S102 S106S102-A104 VanDerWaalsContact C-N 3.32Å; S102-A104 PolarHBondContact O-N 2.68Å; A104-S106 PolarHBondContact O-N 2.87Å
105T60Low60.6Low85 Ų8594.7 Ų94.752%0.52155%0.549SS..  trans-63.5123.5179.2-62.50000106.9A103 K109A103-T105 PolarHBondContact O-N 3.43Å; T105-K109 HydrophobicContact CG2-CB 3.84Å; T105-K109 HydrophobicContact CG2-CD 4.1Å; T105-K109 HydrophobicContact CG2-CG 3.83Å
106S76.8Confident63.4Low41 Ų4190.7 Ų90.729%0.28752%0.522SS..  trans-46.4134.5-179167.30000110.7A104 L108 K109 T110A104-S106 PolarHBondContact O-N 2.87Å; S106-L108 PolarHBondContact O-N 2.86Å; S106-L108 PolarHBondContact OG-N 3.31Å; S106-K109 WeakPolarHBondContact O-CA 3.43Å; S106-K109 WeakPolarHBondContact O-CB 3.4Å; S106-K109 PolarHBondContact O-N 2.67Å; S106-T110 PolarHBondContact O-N 3.1Å; S106-T110 VanDerWaalsContact O-N 3.1Å
107P80.7Confident65.6Low99 Ų9986.1 Ų86.164%0.64351%0.507SS*.Hα-helixtrans-52-32.2177.8-28.234.8000113.4Y111P107-Y111 VanDerWaalsContact O-CB 3.31Å; P107-Y111 WeakPolarHBondContact O-CB 3.41Å; P107-Y111 PolarHBondContact O-N 3.49Å
108L84.1Confident68.4Low6 Ų687.5 Ų87.53%0.03150%0.503CS..Hα-helixtrans-65.3-44.7172.8179.7162.7000111.6K76 M79 E80 S106 Y111 L112 I396K76-L108 HydrophobicContact CB-CD1 4.32Å; K76-L108 HydrophobicContact CG-CD1 4.39Å; M79-L108 HydrophobicContact CB-CB 4.18Å; M79-L108 HydrophobicContact CB-CD1 3.93Å; M79-L108 HydrophobicContact CB-CG 4.35Å; M79-L108 HydrophobicContact CE-CB 4.39Å; E80-L108 HydrophobicContact CG-CD1 3.64Å; S106-L108 PolarHBondContact O-N 2.86Å; S106-L108 PolarHBondContact OG-N 3.31Å; L108-Y111 PolarHBondContact O-N 2.95Å; L108-L112 HydrophobicContact CD2-CD1 3.53Å; L108-L112 HydrophobicContact CD2-CG 4.15Å; L108-L112 HydrophobicContact CG-CD1 4.27Å; L108-L112 WeakPolarHBondContact O-CB 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.39Å; L108-I396 HydrophobicContact CD2-CD1 3.49Å; L108-I396 VanDerWaalsContact CD2-CD1 3.49Å; L108-I396 HydrophobicContact CD2-CG1 3.78Å
109K85.4Confident71.1Confident89 Ų8980.3 Ų80.339%0.38746%0.459SS..Hα-helixtrans-63.2-44.1179.4-174.7164.2-172.4175.20112T105 S106 A113 I396 E398T105-K109 HydrophobicContact CG2-CB 3.84Å; T105-K109 HydrophobicContact CG2-CD 4.1Å; T105-K109 HydrophobicContact CG2-CG 3.83Å; S106-K109 WeakPolarHBondContact O-CA 3.43Å; S106-K109 WeakPolarHBondContact O-CB 3.4Å; S106-K109 PolarHBondContact O-N 2.67Å; K109-A113 VanDerWaalsContact O-CB 3.32Å; K109-A113 WeakPolarHBondContact O-CB 3.21Å; K109-A113 PolarHBondContact O-N 3.12Å; K109-I396 HydrophobicContact CB-CD1 3.54Å; K109-I396 HydrophobicContact CD-CD1 4.37Å; K109-I396 HydrophobicContact CG-CD1 3.7Å; K109-E398 IonicContact NZ-OE1 2.7Å; K109-E398 PolarHBondContact NZ-OE1 3.11Å
110T86.5Confident73.8Confident82 Ų8273 Ų7350%0.50343%0.426SS..Hα-helixtrans-62.9-45.1174.4-52.50000111.6S106 A113 S114S106-T110 PolarHBondContact O-N 3.1Å; S106-T110 VanDerWaalsContact O-N 3.1Å; T110-A113 PolarHBondContact O-N 3.23Å; T110-S114 PolarHBondContact O-N 3.3Å
111Y87.4Confident76.6Confident40 Ų4067.7 Ų67.716%0.15740%0.403CS..Hα-helixtrans-64.1-47.6179.6176.5-101.8000112.7L75 P107 L108 A113 S114 L115 K302L75-Y111 HydrophobicContact CD2-CD1 3.89Å; L75-Y111 HydrophobicContact CD2-CE1 3.46Å; L75-Y111 VanDerWaalsContact CD2-CE1 3.46Å; P107-Y111 VanDerWaalsContact O-CB 3.31Å; P107-Y111 WeakPolarHBondContact O-CB 3.41Å; P107-Y111 PolarHBondContact O-N 3.49Å; L108-Y111 PolarHBondContact O-N 2.95Å; Y111-A113 VanDerWaalsContact C-N 3.32Å; Y111-A113 PolarHBondContact O-N 2.87Å; Y111-S114 PolarHBondContact O-N 2.95Å; Y111-L115 HydrophobicContact CE1-CB 4.35Å; Y111-L115 HydrophobicContact CE1-CD2 3.71Å; Y111-L115 VanDerWaalsContact O-CB 3.27Å; Y111-L115 WeakPolarHBondContact O-CB 3.49Å; Y111-L115 PolarHBondContact O-N 2.9Å; Y111-K302 HydrophobicContact CD2-CD 3.98Å; Y111-K302 HydrophobicContact CE1-CD 4.22Å; Y111-K302 HydrophobicContact CE1-CG 3.87Å; Y111-K302 HydrophobicContact CE2-CB 4.36Å; Y111-K302 HydrophobicContact CE2-CD 3.44Å; Y111-K302 VanDerWaalsContact CE2-CD 3.44Å; Y111-K302 VanDerWaalsContact CE2-CE 3.5Å; Y111-K302 HydrophobicContact CE2-CG 3.81Å; Y111-K302 VanDerWaalsContact OH-CB 3.27Å; Y111-K302 WeakPolarHBondContact OH-CB 3.21Å; Y111-K302 VanDerWaalsContact OH-CG 3.26Å; Y111-K302 WeakPolarHBondContact OH-CG 3.38Å
112L87.1Confident79.1Confident3 Ų364.1 Ų64.12%0.01638%0.384CS..Hα-helixtrans-65.3-35.8179.5-70.5-176.5000112L75 K76 L108 L115 R116 I396L75-L112 HydrophobicContact CD2-CD2 4.32Å; K76-L112 HydrophobicContact CG-CD1 4.44Å; L108-L112 HydrophobicContact CD2-CD1 3.53Å; L108-L112 HydrophobicContact CD2-CG 4.15Å; L108-L112 HydrophobicContact CG-CD1 4.27Å; L108-L112 WeakPolarHBondContact O-CB 3.27Å; L108-L112 WeakPolarHBondContact O-CG 3.25Å; L108-L112 PolarHBondContact O-N 3.39Å; L112-L115 HydrophobicContact CD2-CD2 4.24Å; L112-R116 VanDerWaalsContact O-CB 3.26Å; L112-R116 WeakPolarHBondContact O-CB 3.37Å; L112-R116 PolarHBondContact O-N 3.16Å; L112-I396 HydrophobicContact CB-CD1 4.43Å; L112-I396 HydrophobicContact CD1-CD1 3.93Å; L112-I396 HydrophobicContact CD1-CG1 3.6Å
113A87.5Confident81.8Confident55 Ų5559.2 Ų59.246%0.45535%0.35SS..Hα-helixtrans-62.9-47.1173.400000111.9K109 T110 Y111 R116 V117K109-A113 VanDerWaalsContact O-CB 3.32Å; K109-A113 WeakPolarHBondContact O-CB 3.21Å; K109-A113 PolarHBondContact O-N 3.12Å; T110-A113 PolarHBondContact O-N 3.23Å; Y111-A113 VanDerWaalsContact C-N 3.32Å; Y111-A113 PolarHBondContact O-N 2.87Å; A113-R116 WeakPolarHBondContact O-CB 3.11Å; A113-R116 PolarHBondContact O-N 3.5Å; A113-V117 WeakPolarHBondContact O-CG2 3.43Å; A113-V117 PolarHBondContact O-N 3.42Å; A113-V117 VanDerWaalsContact O-N 3.16Å
114S88.4Confident84.1Confident64 Ų6456.5 Ų56.545%0.44832%0.324SS..Hα-helixtrans-60-50.5175.3-178.40000111.6T110 Y111 R116 V117 D118T110-S114 PolarHBondContact O-N 3.3Å; Y111-S114 PolarHBondContact O-N 2.95Å; S114-R116 VanDerWaalsContact C-N 3.26Å; S114-R116 PolarHBondContact O-N 2.87Å; S114-V117 PolarHBondContact O-N 2.89Å; S114-V117 VanDerWaalsContact O-N 3.12Å; S114-D118 PolarHBondContact O-N 2.96Å
115L88.4Confident86Confident5 Ų558.8 Ų58.83%0.02632%0.316CS..Hα-helixtrans-58.5-40.7179.9178.463.9000111.4Y111 L112 D118 L119 F305 L394Y111-L115 HydrophobicContact CE1-CB 4.35Å; Y111-L115 HydrophobicContact CE1-CD2 3.71Å; Y111-L115 VanDerWaalsContact O-CB 3.27Å; Y111-L115 WeakPolarHBondContact O-CB 3.49Å; Y111-L115 PolarHBondContact O-N 2.9Å; L112-L115 HydrophobicContact CD2-CD2 4.24Å; L115-D118 PolarHBondContact O-N 3.21Å; L115-L119 HydrophobicContact CD1-CD1 4.35Å; L115-L119 HydrophobicContact CD1-CG 4.13Å; L115-L119 HydrophobicContact CG-CD1 4.3Å; L115-L119 HydrophobicContact CG-CG 4.39Å; L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.88Å; L115-F305 HydrophobicContact CD1-CD1 4.14Å; L115-F305 HydrophobicContact CD1-CE1 4.24Å; L115-F305 HydrophobicContact CD2-CD1 3.68Å; L115-F305 HydrophobicContact CD2-CE1 3.55Å; L115-F305 HydrophobicContact CD2-CZ 4.43Å; L115-F305 HydrophobicContact CG-CD1 4.35Å; L115-F305 HydrophobicContact CG-CE1 4.1Å; L115-L394 HydrophobicContact CD2-CD2 3.94Å; L115-L394 HydrophobicContact CG-CD2 4.3Å
116R87.4Confident87.6Confident79 Ų7955.7 Ų55.730%0.29830%0.295SS..Hα-helixtrans-57.9-51.8174.9-178.1-177.6-178.41457.5110.8L112 A113 S114 D118 L119 M120 L394L112-R116 VanDerWaalsContact O-CB 3.26Å; L112-R116 WeakPolarHBondContact O-CB 3.37Å; L112-R116 PolarHBondContact O-N 3.16Å; A113-R116 WeakPolarHBondContact O-CB 3.11Å; A113-R116 PolarHBondContact O-N 3.5Å; S114-R116 VanDerWaalsContact C-N 3.26Å; S114-R116 PolarHBondContact O-N 2.87Å; R116-D118 VanDerWaalsContact C-N 3.32Å; R116-D118 PolarHBondContact O-N 3.13Å; R116-L119 PolarHBondContact O-N 3.38Å; R116-M120 HydrophobicContact CG-CE 3.77Å; R116-M120 HydrophobicContact CG-CG 4.42Å; R116-M120 VanDerWaalsContact O-CG 3.22Å; R116-M120 WeakPolarHBondContact O-CG 3.34Å; R116-M120 PolarHBondContact O-N 3.11Å; R116-L394 HydrophobicContact CB-CD1 4.37Å; R116-L394 HydrophobicContact CG-CD1 4.46Å
117V88.3Confident88.5Confident99 Ų9961.5 Ų61.560%0.632%0.318SS*.Hα-helixtrans-58.2-45.9179.5174.70000111.1A113 S114 L119 M120 N121A113-V117 WeakPolarHBondContact O-CG2 3.43Å; A113-V117 PolarHBondContact O-N 3.42Å; A113-V117 VanDerWaalsContact O-N 3.16Å; S114-V117 PolarHBondContact O-N 2.89Å; S114-V117 VanDerWaalsContact O-N 3.12Å; V117-L119 PolarHBondContact O-N 2.9Å; V117-M120 PolarHBondContact O-N 3.25Å; V117-N121 PolarHBondContact O-N 3.04Å
118D88.4Confident89.2Confident77 Ų7757.8 Ų57.841%0.41229%0.291SS..Hα-helixtrans-61.9-44.6179.3-71.2-27.2000112.2S114 L115 R116 N121 R122S114-D118 PolarHBondContact O-N 2.96Å; L115-D118 PolarHBondContact O-N 3.21Å; R116-D118 VanDerWaalsContact C-N 3.32Å; R116-D118 PolarHBondContact O-N 3.13Å; D118-N121 PolarHBondContact O-N 2.86Å; D118-R122 WeakPolarHBondContact O-CG 3.32Å; D118-R122 PolarHBondContact O-N 3.49Å
119L89.2Confident89.8Confident1 Ų160.5 Ų60.51%0.00531%0.306CS..Hα-helixtrans-65.7-42.1177.3-70.5-170.6000111.8L115 R116 V117 N121 R122 I123 F305 F309 L394L115-L119 HydrophobicContact CD1-CD1 4.35Å; L115-L119 HydrophobicContact CD1-CG 4.13Å; L115-L119 HydrophobicContact CG-CD1 4.3Å; L115-L119 HydrophobicContact CG-CG 4.39Å; L115-L119 WeakPolarHBondContact O-CB 3.25Å; L115-L119 VanDerWaalsContact O-CG 3.27Å; L115-L119 WeakPolarHBondContact O-CG 3.4Å; L115-L119 PolarHBondContact O-N 2.88Å; R116-L119 PolarHBondContact O-N 3.38Å; V117-L119 PolarHBondContact O-N 2.9Å; L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 PolarHBondContact O-N 3.48Å; L119-R122 PolarHBondContact O-N 3.3Å; L119-R122 VanDerWaalsContact O-N 3.14Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.16Å; L119-I123 PolarHBondContact O-N 3.35Å; L119-F305 HydrophobicContact CD1-CE1 3.68Å; L119-F305 HydrophobicContact CD1-CZ 4.37Å; L119-F309 HydrophobicContact CB-CE1 4.15Å; L119-F309 HydrophobicContact CB-CZ 4.46Å; L119-F309 HydrophobicContact CD1-CD1 3.95Å; L119-F309 HydrophobicContact CD1-CD2 3.82Å; L119-F309 HydrophobicContact CD1-CE1 4.06Å; L119-F309 HydrophobicContact CD1-CE2 3.96Å; L119-F309 HydrophobicContact CD1-CG 3.82Å; L119-F309 HydrophobicContact CD1-CZ 4.08Å; L119-F309 HydrophobicContact CD2-CB 4.36Å; L119-F309 HydrophobicContact CD2-CD1 3.49Å; L119-F309 VanDerWaalsContact CD2-CD1 3.49Å; L119-F309 HydrophobicContact CD2-CE1 3.94Å; L119-F309 HydrophobicContact CD2-CG 3.95Å; L119-F309 HydrophobicContact CG-CD1 4.18Å; L119-F309 HydrophobicContact CG-CE1 4.26Å; L119-F309 HydrophobicContact CG-CG 4.48Å; L119-L394 HydrophobicContact CD1-CD1 3.85Å; L119-L394 HydrophobicContact CD1-CD2 4.37Å
120M87.3Confident90.3Very high29 Ų2962.8 Ų62.814%0.14332%0.316CS..Hα-helixtrans-60.7-41.7175.9-64-36.6168.700111.6F4 R116 V117 R122 I123 T124 T391F4-M120 HydrophobicContact CD2-SD 4.3Å; F4-M120 HydrophobicContact CE2-CE 3.87Å; F4-M120 HydrophobicContact CE2-SD 3.21Å; F4-M120 WeakPolarHBondContact CE2-SD 3.38Å; F4-M120 HydrophobicContact CZ-CG 4.42Å; F4-M120 HydrophobicContact CZ-SD 3.45Å; F4-M120 WeakPolarHBondContact CZ-SD 3.47Å; R116-M120 HydrophobicContact CG-CE 3.77Å; R116-M120 HydrophobicContact CG-CG 4.42Å; R116-M120 VanDerWaalsContact O-CG 3.22Å; R116-M120 WeakPolarHBondContact O-CG 3.34Å; R116-M120 PolarHBondContact O-N 3.11Å; V117-M120 PolarHBondContact O-N 3.25Å; M120-R122 VanDerWaalsContact C-N 3.34Å; M120-R122 PolarHBondContact O-N 3.24Å; M120-I123 PolarHBondContact O-N 3Å; M120-I123 HydrophobicContact SD-CD1 4.28Å; M120-T124 WeakPolarHBondContact O-CB 3.34Å; M120-T124 VanDerWaalsContact O-CG2 3.31Å; M120-T124 WeakPolarHBondContact O-CG2 3.44Å; M120-T124 PolarHBondContact O-N 3.38Å; M120-T124 PolarHBondContact O-OG1 3.5Å; M120-T391 HydrophobicContact CE-CG2 3.82Å; M120-T391 HydrophobicContact SD-CG2 4.42Å
121N90.2Very high90.7Very high73 Ų7363.3 Ų63.339%0.3933%0.329SS..Hα-helixtrans-63.8-39175.7-177.358.2000111.7V117 D118 L119 T124 K125V117-N121 PolarHBondContact O-N 3.04Å; D118-N121 PolarHBondContact O-N 2.86Å; L119-N121 VanDerWaalsContact C-N 3.3Å; L119-N121 PolarHBondContact O-N 3.48Å; N121-T124 PolarHBondContact O-OG1 2.84Å; N121-K125 WeakPolarHBondContact O-CB 3.44Å; N121-K125 PolarHBondContact O-N 3.32Å; N121-K125 WeakPolarHBondContact OD1-CD 3.13Å; N121-K125 VanDerWaalsContact OD1-CE 3.3Å; N121-K125 WeakPolarHBondContact OD1-CE 3.32Å; N121-K125 PolarHBondContact OD1-NZ 3.41Å
122R88.5Confident91.1Very high131 Ų13164.5 Ų64.549%0.49434%0.335SS..Hα-helixtrans-67.3-39.3176-71.8174.7-172-83.1-0.3113.2D118 L119 M120 K125 F126D118-R122 WeakPolarHBondContact O-CG 3.32Å; D118-R122 PolarHBondContact O-N 3.49Å; L119-R122 PolarHBondContact O-N 3.3Å; L119-R122 VanDerWaalsContact O-N 3.14Å; M120-R122 VanDerWaalsContact C-N 3.34Å; M120-R122 PolarHBondContact O-N 3.24Å; R122-K125 CarbonylContact O-C 3.59Å; R122-F126 WeakPolarHBondContact O-CA 3.35Å; R122-F126 PolarHBondContact O-N 2.91Å; R122-F126 VanDerWaalsContact O-N 3.16Å
123I90.8Very high91.6Very high1 Ų164.4 Ų64.41%0.00533%0.334CS..Hα-helixtrans-69.2-48.1178.6-63.6165.1000110.3F4 L119 M120 K125 F126 F309 I313 L338F4-I123 HydrophobicContact CD1-CG2 4.16Å; F4-I123 HydrophobicContact CE1-CG2 4.49Å; F4-I123 HydrophobicContact CG-CG2 4.4Å; L119-I123 VanDerWaalsContact O-CG1 3.24Å; L119-I123 WeakPolarHBondContact O-CG1 3.16Å; L119-I123 PolarHBondContact O-N 3.35Å; M120-I123 PolarHBondContact O-N 3Å; M120-I123 HydrophobicContact SD-CD1 4.28Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.02Å; I123-F126 WeakPolarHBondContact O-CB 3.2Å; I123-F126 PolarHBondContact O-N 3.36Å; I123-F309 HydrophobicContact CD1-CE1 3.69Å; I123-F309 HydrophobicContact CD1-CZ 3.51Å; I123-F309 HydrophobicContact CG1-CE1 3.75Å; I123-F309 HydrophobicContact CG1-CZ 4.09Å; I123-I313 HydrophobicContact CD1-CD1 4.5Å; I123-I313 HydrophobicContact CG1-CD1 4.03Å; I123-I313 HydrophobicContact CG1-CG1 4.28Å; I123-L338 HydrophobicContact CG2-CD1 3.89Å; I123-L338 HydrophobicContact CG2-CD2 3.62Å; I123-L338 HydrophobicContact CG2-CG 4.39Å
124T91.1Very high92Very high31 Ų3164 Ų6419%0.1933%0.327CS..Hα-helixtrans-70.1-28.9-177.453.90000113.5F4 W35 M120 N121 L338F4-T124 HydrophobicContact CE1-CG2 4.24Å; W35-T124 HydrophobicContact CD2-CG2 4.1Å; W35-T124 HydrophobicContact CE3-CG2 4.08Å; W35-T124 HydrophobicContact CH2-CG2 3.63Å; W35-T124 HydrophobicContact CZ2-CG2 3.74Å; W35-T124 HydrophobicContact CZ3-CG2 3.85Å; M120-T124 WeakPolarHBondContact O-CB 3.34Å; M120-T124 VanDerWaalsContact O-CG2 3.31Å; M120-T124 WeakPolarHBondContact O-CG2 3.44Å; M120-T124 PolarHBondContact O-N 3.38Å; M120-T124 PolarHBondContact O-OG1 3.5Å; N121-T124 PolarHBondContact O-OG1 2.84Å; T124-L338 HydrophobicContact CG2-CD2 4.19Å
125K91.9Very high92.4Very high145 Ų14563.1 Ų63.163%0.6332%0.318SS*.THydrogen-bonded Turntrans-109.135.8175-58.9178.8-176.7156.60112.1N121 R122 I123 Q127N121-K125 WeakPolarHBondContact O-CB 3.44Å; N121-K125 PolarHBondContact O-N 3.32Å; N121-K125 WeakPolarHBondContact OD1-CD 3.13Å; N121-K125 VanDerWaalsContact OD1-CE 3.3Å; N121-K125 WeakPolarHBondContact OD1-CE 3.32Å; N121-K125 PolarHBondContact OD1-NZ 3.41Å; R122-K125 CarbonylContact O-C 3.59Å; I123-K125 VanDerWaalsContact C-N 3.34Å; I123-K125 PolarHBondContact O-N 3.02Å; K125-Q127 PolarHBondContact O-N 3.08Å
126F94.9Very high92.7Very high19 Ų1966.6 Ų66.68%0.08335%0.348CS..  trans-54.8132.1-179.8173.3-98.5000111.6F37 S38 R122 I123 W128 I313 H314 A317F37-F126 HydrophobicContact CD1-CD1 4.06Å; F37-F126 HydrophobicContact CD1-CE1 4.32Å; F37-F126 HydrophobicContact CD2-CB 3.89Å; F37-F126 AromaticContact CD2-CD1 3.97Å; F37-F126 HydrophobicContact CD2-CD1 3.97Å; F37-F126 HydrophobicContact CD2-CG 4.11Å; F37-F126 AromaticContact CE1-CD1 3.53Å; F37-F126 HydrophobicContact CE1-CD1 3.53Å; F37-F126 AromaticContact CE1-CE1 3.53Å; F37-F126 HydrophobicContact CE1-CE1 3.53Å; F37-F126 HydrophobicContact CE1-CG 4.24Å; F37-F126 HydrophobicContact CE1-CZ 4.25Å; F37-F126 HydrophobicContact CE2-CB 3.43Å; F37-F126 VanDerWaalsContact CE2-CB 3.43Å; F37-F126 AromaticContact CE2-CD1 3.43Å; F37-F126 HydrophobicContact CE2-CD1 3.43Å; F37-F126 VanDerWaalsContact CE2-CD1 3.43Å; F37-F126 HydrophobicContact CE2-CD2 4.06Å; F37-F126 HydrophobicContact CE2-CE1 4.18Å; F37-F126 AromaticContact CE2-CG 3.34Å; F37-F126 HydrophobicContact CE2-CG 3.34Å; F37-F126 HydrophobicContact CG-CD1 4.27Å; F37-F126 HydrophobicContact CZ-CB 4.07Å; F37-F126 AromaticContact CZ-CD1 3.18Å; F37-F126 HydrophobicContact CZ-CD1 3.18Å; F37-F126 AromaticContact CZ-CD2 3.91Å; F37-F126 HydrophobicContact CZ-CD2 3.91Å; F37-F126 AromaticContact CZ-CE1 3.44Å; F37-F126 HydrophobicContact CZ-CE1 3.44Å; F37-F126 VanDerWaalsContact CZ-CE1 3.44Å; F37-F126 HydrophobicContact CZ-CE2 4.13Å; F37-F126 AromaticContact CZ-CG 3.42Å; F37-F126 HydrophobicContact CZ-CG 3.42Å; F37-F126 VanDerWaalsContact CZ-CG 3.42Å; F37-F126 AromaticContact CZ-CZ 3.91Å; F37-F126 HydrophobicContact CZ-CZ 3.91Å; S38-F126 WeakPolarHBondContact O-CE1 3.22Å; R122-F126 WeakPolarHBondContact O-CA 3.35Å; R122-F126 PolarHBondContact O-N 2.91Å; R122-F126 VanDerWaalsContact O-N 3.16Å; I123-F126 WeakPolarHBondContact O-CB 3.2Å; I123-F126 PolarHBondContact O-N 3.36Å; F126-W128 HydrophobicContact CZ-CB 4.49Å; F126-W128 HydrophobicContact CZ-CE3 4.12Å; F126-I313 HydrophobicContact CD2-CG2 3.48Å; F126-I313 VanDerWaalsContact CD2-CG2 3.48Å; F126-I313 HydrophobicContact CE2-CG2 3.76Å; F126-I313 HydrophobicContact CG-CG2 4.26Å; F126-H314 AromaticContact CE2-CE1 3.85Å; F126-H314 AromaticContact CE2-NE2 3.86Å; F126-A317 HydrophobicContact CE1-CB 4.23Å; F126-A317 HydrophobicContact CZ-CB 3.96Å
127Q94.2Very high93.1Very high163 Ų16365.5 Ų65.576%0.76235%0.348SS*.  trans-133139.6166.7-66-172.14.500108.2K125 D129K125-Q127 PolarHBondContact O-N 3.08Å; Q127-D129 PolarHBondContact O-N 3.22Å
128W96.4Very high93.4Very high22 Ų2263.3 Ų63.38%0.08334%0.336CS..  trans-65.7124.1176.9-176.6-85.3000111.2P40 L42 F126 K130 Y133 L142 H314 A317 L318P40-W128 HydrophobicContact CG-CB 3.77Å; P40-W128 HydrophobicContact CG-CD2 3.78Å; P40-W128 HydrophobicContact CG-CE3 4.39Å; P40-W128 HydrophobicContact CG-CG 3.46Å; P40-W128 VanDerWaalsContact CG-CG 3.46Å; L42-W128 HydrophobicContact CD1-CH2 4.24Å; L42-W128 HydrophobicContact CD2-CH2 4.41Å; L42-W128 HydrophobicContact CD2-CZ2 3.97Å; F126-W128 HydrophobicContact CZ-CB 4.49Å; F126-W128 HydrophobicContact CZ-CE3 4.12Å; W128-K130 PolarHBondContact O-N 2.95Å; W128-Y133 HydrophobicContact CZ2-CG 4.41Å; W128-Y133 PolarHBondContact NE1-O 2.91Å; W128-L142 HydrophobicContact CZ2-CD1 4.19Å; W128-H314 AromaticContact CE3-CD2 3.88Å; W128-A317 HydrophobicContact CE3-CB 4.27Å; W128-A317 HydrophobicContact CZ3-CB 3.99Å; W128-L318 HydrophobicContact CH2-CD1 4.49Å; W128-L318 HydrophobicContact CH2-CD2 3.61Å; W128-L318 HydrophobicContact CH2-CG 3.81Å; W128-L318 HydrophobicContact CZ3-CD2 4.27Å; W128-L318 HydrophobicContact CZ3-CG 4.26Å
129D96Very high93.8Very high62 Ų6260 Ų6033%0.33232%0.318SS..  trans-76.189.5176.1-172.1-18000110.4Q127 A131 K132 Y133 H314Q127-D129 PolarHBondContact O-N 3.22Å; D129-A131 PolarHBondContact O-N 3.37Å; D129-A131 PolarHBondContact OD1-N 2.93Å; D129-A131 VanDerWaalsContact OD1-N 3.11Å; D129-K132 HydrophobicContact CB-CB 4.25Å; D129-K132 VanDerWaalsContact CG-CB 3.47Å; D129-K132 PolarHBondContact O-N 3.05Å; D129-K132 PolarHBondContact OD1-N 3.43Å; D129-K132 WeakPolarHBondContact OD2-CB 3.28Å; D129-Y133 HydrophobicContact CB-CD2 4.15Å; D129-Y133 WeakPolarHBondContact O-CA 3.43Å; D129-Y133 PolarHBondContact O-N 3.49Å; D129-H314 WeakPolarHBondContact CB-NE2 3.38Å; D129-H314 PolarHBondContact N-NE2 3.5Å
130K95.7Very high94Very high137 Ų13762 Ų6260%0.59633%0.332SS*.THydrogen-bonded Turntrans-66.8-22.8179.3-65.3-177179.7-177.70113.4W128 P134 T135W128-K130 PolarHBondContact O-N 2.95Å; K130-P134 WeakPolarHBondContact O-CA 3.39Å; K130-T135 HydrophobicContact CG-CG2 4.38Å
131A96.1Very high94.5Very high94 Ų9463 Ų6378%0.77734%0.34SS*.THydrogen-bonded Turntrans-75.3-40.4179.500000110.4D129D129-A131 PolarHBondContact O-N 3.37Å; D129-A131 PolarHBondContact OD1-N 2.93Å; D129-A131 VanDerWaalsContact OD1-N 3.11Å
132K95.3Very high94.8Very high65 Ų6559.6 Ų59.628%0.28332%0.321SS..THydrogen-bonded Turntrans-86.6-35.1179.9-165.3175.6179.3-164.70113.7D129 P134 E149D129-K132 HydrophobicContact CB-CB 4.25Å; D129-K132 VanDerWaalsContact CG-CB 3.47Å; D129-K132 PolarHBondContact O-N 3.05Å; D129-K132 PolarHBondContact OD1-N 3.43Å; D129-K132 WeakPolarHBondContact OD2-CB 3.28Å; K132-P134 WeakPolarHBondContact O-CD 3.42Å; K132-E149 WeakPolarHBondContact CE-OE2 3.41Å; K132-E149 IonicContact NZ-OE1 3.86Å; K132-E149 PolarHBondContact NZ-OE1 3.42Å; K132-E149 IonicContact NZ-OE2 3.78Å; K132-E149 PolarHBondContact NZ-OE2 3.18Å
133Y96.5Very high95.2Very high1 Ų153.7 Ų53.70%0.00430%0.3CS..SBendtrans-124.977.1-179-49.9-64.8000110.2W128 D129 T135 I145 I146 E149 H314W128-Y133 HydrophobicContact CZ2-CG 4.41Å; W128-Y133 PolarHBondContact NE1-O 2.91Å; D129-Y133 HydrophobicContact CB-CD2 4.15Å; D129-Y133 WeakPolarHBondContact O-CA 3.43Å; D129-Y133 PolarHBondContact O-N 3.49Å; Y133-T135 PolarHBondContact O-N 3.11Å; Y133-I145 HydrophobicContact CD1-CG2 4.14Å; Y133-I145 HydrophobicContact CE1-CG2 3.98Å; Y133-I146 HydrophobicContact CD1-CD1 4.49Å; Y133-I146 HydrophobicContact CD1-CG1 4.05Å; Y133-I146 HydrophobicContact CE1-CD1 4.15Å; Y133-I146 HydrophobicContact CE1-CG1 3.41Å; Y133-I146 VanDerWaalsContact CE1-CG1 3.41Å; Y133-E149 PolarHBondContact OH-OE2 3.45Å; Y133-H314 HydrophobicContact CD2-CB 4.17Å; Y133-H314 AromaticContact CD2-CD2 3.33Å; Y133-H314 WeakPolarHBondContact CD2-CD2 3.27Å; Y133-H314 AromaticContact CD2-CG 3.7Å; Y133-H314 AromaticContact CD2-NE2 3.82Å; Y133-H314 HydrophobicContact CE2-CB 3.88Å; Y133-H314 AromaticContact CE2-CD2 3.58Å; Y133-H314 AromaticContact CE2-CG 3.47Å; Y133-H314 VanDerWaalsContact CE2-CG 3.47Å; Y133-H314 AromaticContact CE2-ND1 3.79Å; Y133-H314 AromaticContact CE2-NE2 3.97Å
134P97Very high95.5Very high46 Ų4658 Ų5830%0.29932%0.323SS..  trans-61.5127.9-175.6-23.232.7000113.1K130 K132 A136 L137K130-P134 WeakPolarHBondContact O-CA 3.39Å; K132-P134 WeakPolarHBondContact O-CD 3.42Å; P134-A136 PolarHBondContact O-N 3.49Å; P134-A136 VanDerWaalsContact O-N 3.1Å; P134-L137 HydrophobicContact CB-CD1 4.27Å; P134-L137 HydrophobicContact CB-CG 4.21Å; P134-L137 HydrophobicContact CG-CD1 4.14Å; P134-L137 WeakPolarHBondContact O-CB 3.47Å; P134-L137 PolarHBondContact O-N 3.45Å; P134-L137 VanDerWaalsContact O-N 3.07Å
135T96.2Very high95.8Very high45 Ų4559.2 Ų59.228%0.27633%0.328SS..THydrogen-bonded Turntrans-66.5-15.6-176.3590000114P40 L42 K130 Y133 L137P40-T135 HydrophobicContact CB-CG2 3.96Å; P40-T135 HydrophobicContact CG-CG2 3.72Å; L42-T135 HydrophobicContact CD2-CG2 3.94Å; K130-T135 HydrophobicContact CG-CG2 4.38Å; Y133-T135 PolarHBondContact O-N 3.11Å; T135-L137 VanDerWaalsContact C-N 3.3Å
136A94.9Very high96.1Very high78 Ų7852.3 Ų52.365%0.64530%0.298SS*.THydrogen-bonded Turntrans-74.3-19.9175.400000113.3P134P134-A136 PolarHBondContact O-N 3.49Å; P134-A136 VanDerWaalsContact O-N 3.1Å
137L95.9Very high96.2Very high56 Ų5654.4 Ų54.429%0.29331%0.31SS..SBendtrans-76.4150.1-179.7-64.9178.6000111.5P134 T135 T141 L142 I145P134-L137 HydrophobicContact CB-CD1 4.27Å; P134-L137 HydrophobicContact CB-CG 4.21Å; P134-L137 HydrophobicContact CG-CD1 4.14Å; P134-L137 WeakPolarHBondContact O-CB 3.47Å; P134-L137 PolarHBondContact O-N 3.45Å; P134-L137 VanDerWaalsContact O-N 3.07Å; T135-L137 VanDerWaalsContact C-N 3.3Å; L137-T141 HydrophobicContact CD1-CG2 4.12Å; L137-L142 HydrophobicContact CB-CD2 4.01Å; L137-L142 HydrophobicContact CB-CG 4.2Å; L137-L142 HydrophobicContact CD1-CD2 4.2Å; L137-I145 HydrophobicContact CD1-CD1 3.84Å
138P95.1Very high96.4Very high53 Ų5354.1 Ų54.134%0.34431%0.306SS..BIsolated β-bridgetrans-60.1150.2170-2032.4000112S140 T141 L142P138-S140 VanDerWaalsContact C-N 3.26Å; P138-S140 PolarHBondContact O-N 3.5Å; P138-T141 WeakPolarHBondContact O-CB 3.49Å; P138-T141 PolarHBondContact O-N 3.4Å; P138-L142 PolarHBondContact O-N 2.89Å; P138-L142 VanDerWaalsContact O-N 3.08Å
139L95.6Very high96.4Very high9 Ų953.9 Ų53.95%0.04731%0.306CS..Hα-helixtrans-55.4-39.1177.9-65.6167000112.9L42 L50 V53 T141 L142 T143 L318 F321 V322L42-L139 HydrophobicContact CB-CD2 3.81Å; L42-L139 HydrophobicContact CD1-CD2 3.83Å; L42-L139 HydrophobicContact CG-CD2 4.46Å; L50-L139 HydrophobicContact CD1-CD1 3.69Å; V53-L139 HydrophobicContact CG1-CB 4.13Å; L139-T141 PolarHBondContact O-N 2.95Å; L139-L142 PolarHBondContact O-N 3.48Å; L139-T143 PolarHBondContact O-N 2.98Å; L139-T143 PolarHBondContact O-OG1 2.93Å; L139-L318 HydrophobicContact CD2-CD2 3.88Å; L139-F321 HydrophobicContact CD1-CD1 4.33Å; L139-F321 HydrophobicContact CD1-CE1 4.14Å; L139-F321 HydrophobicContact CD2-CD1 4.04Å; L139-F321 HydrophobicContact CD2-CE1 4.2Å; L139-V322 HydrophobicContact CD1-CG2 3.97Å
140S94.8Very high96.5Very high43 Ų4351.1 Ų51.130%0.30129%0.291SS..Hα-helixtrans-59.2-45.7176.151.20000112P138 L142 T143 D144P138-S140 VanDerWaalsContact C-N 3.26Å; P138-S140 PolarHBondContact O-N 3.5Å; S140-L142 VanDerWaalsContact C-N 3.34Å; S140-L142 PolarHBondContact O-N 2.92Å; S140-T143 WeakPolarHBondContact O-CB 3.17Å; S140-T143 PolarHBondContact O-N 3.02Å; S140-D144 PolarHBondContact O-N 3.49Å
141T96.4Very high96.6Very high50 Ų5046.9 Ų46.931%0.30728%0.279SS..Hα-helixtrans-64.6-38177.5-51.20000111.9L137 P138 L139 D144 I145L137-T141 HydrophobicContact CD1-CG2 4.12Å; P138-T141 WeakPolarHBondContact O-CB 3.49Å; P138-T141 PolarHBondContact O-N 3.4Å; L139-T141 PolarHBondContact O-N 2.95Å; T141-D144 PolarHBondContact O-N 3.3Å; T141-I145 HydrophobicContact CG2-CD1 4.37Å; T141-I145 VanDerWaalsContact O-CG1 3.27Å; T141-I145 WeakPolarHBondContact O-CG1 3.31Å; T141-I145 PolarHBondContact O-N 3.34Å
142L97.3Very high96.7Very high0 Ų047.5 Ų47.50%027%0.266CS..Hα-helixtrans-63.4-43.2174.3-65.5177.4000111.6L42 W128 L137 P138 L139 S140 D144 I145 I146 L318L42-L142 HydrophobicContact CD2-CD1 4.15Å; W128-L142 HydrophobicContact CZ2-CD1 4.19Å; L137-L142 HydrophobicContact CB-CD2 4.01Å; L137-L142 HydrophobicContact CB-CG 4.2Å; L137-L142 HydrophobicContact CD1-CD2 4.2Å; P138-L142 PolarHBondContact O-N 2.89Å; P138-L142 VanDerWaalsContact O-N 3.08Å; L139-L142 PolarHBondContact O-N 3.48Å; S140-L142 VanDerWaalsContact C-N 3.34Å; S140-L142 PolarHBondContact O-N 2.92Å; L142-D144 VanDerWaalsContact C-N 3.34Å; L142-I145 PolarHBondContact O-N 2.96Å; L142-I146 PolarHBondContact O-N 3.42Å; L142-L318 HydrophobicContact CB-CD1 4.2Å; L142-L318 HydrophobicContact CD1-CD2 4.2Å
143T96.8Very high96.8Very high7 Ų744.6 Ų44.64%0.04325%0.254CS..Hα-helixtrans-60.1-43.5173.5-57.80000111.3L57 L60 L139 S140 I145 I146 N147L57-T143 HydrophobicContact CD2-CG2 3.97Å; L57-T143 WeakPolarHBondContact CD2-OG1 3.47Å; L57-T143 HydrophobicContact CG-CG2 4.47Å; L60-T143 HydrophobicContact CD2-CG2 3.89Å; L139-T143 PolarHBondContact O-N 2.98Å; L139-T143 PolarHBondContact O-OG1 2.93Å; S140-T143 WeakPolarHBondContact O-CB 3.17Å; S140-T143 PolarHBondContact O-N 3.02Å; T143-I145 PolarHBondContact O-N 2.92Å; T143-I146 PolarHBondContact O-N 3.07Å; T143-N147 WeakPolarHBondContact O-CB 3.26Å; T143-N147 PolarHBondContact O-N 3.11Å
144D97.3Very high96.9Very high91 Ų9147 Ų4749%0.48727%0.265SS..Hα-helixtrans-63.5-39.4179-67.5-31.1000112.5S140 T141 L142 N147 K148S140-D144 PolarHBondContact O-N 3.49Å; T141-D144 PolarHBondContact O-N 3.3Å; L142-D144 VanDerWaalsContact C-N 3.34Å; D144-N147 PolarHBondContact O-N 2.87Å; D144-K148 WeakPolarHBondContact O-CB 3.31Å; D144-K148 PolarHBondContact O-N 2.98Å
145I97.7Very high96.9Very high57 Ų5749.4 Ų49.429%0.29228%0.279SS..Hα-helixtrans-61.1-48175.9-68.6163.5000110.3Y133 L137 T141 L142 T143 K148 E149Y133-I145 HydrophobicContact CD1-CG2 4.14Å; Y133-I145 HydrophobicContact CE1-CG2 3.98Å; L137-I145 HydrophobicContact CD1-CD1 3.84Å; T141-I145 HydrophobicContact CG2-CD1 4.37Å; T141-I145 VanDerWaalsContact O-CG1 3.27Å; T141-I145 WeakPolarHBondContact O-CG1 3.31Å; T141-I145 PolarHBondContact O-N 3.34Å; L142-I145 PolarHBondContact O-N 2.96Å; T143-I145 PolarHBondContact O-N 2.92Å; I145-K148 PolarHBondContact O-N 2.79Å; I145-E149 PolarHBondContact O-N 3.06Å; I145-E149 VanDerWaalsContact O-N 3.14Å
146I97.7Very high97Very high0 Ų050.1 Ų50.10%028%0.279CS..Hα-helixtrans-63.9-44.1177.5-64171.9000110.3L60 Y133 L142 T143 K148 E149 V150 A311 H314 L315 L318L60-I146 HydrophobicContact CD2-CB 4.33Å; L60-I146 HydrophobicContact CD2-CG2 4.08Å; Y133-I146 HydrophobicContact CD1-CD1 4.49Å; Y133-I146 HydrophobicContact CD1-CG1 4.05Å; Y133-I146 HydrophobicContact CE1-CD1 4.15Å; Y133-I146 HydrophobicContact CE1-CG1 3.41Å; Y133-I146 VanDerWaalsContact CE1-CG1 3.41Å; L142-I146 PolarHBondContact O-N 3.42Å; T143-I146 PolarHBondContact O-N 3.07Å; I146-K148 VanDerWaalsContact C-N 3.35Å; I146-K148 PolarHBondContact O-N 3.07Å; I146-E149 WeakPolarHBondContact O-CB 3.45Å; I146-E149 PolarHBondContact O-N 2.93Å; I146-V150 HydrophobicContact CG2-CG2 4.13Å; I146-V150 VanDerWaalsContact O-CG2 3.31Å; I146-V150 WeakPolarHBondContact O-CG2 3.43Å; I146-V150 PolarHBondContact O-N 3.15Å; I146-A311 HydrophobicContact CG2-CB 4.34Å; I146-H314 HydrophobicContact CD1-CB 4.36Å; I146-L315 HydrophobicContact CD1-CB 4.32Å; I146-L315 HydrophobicContact CD1-CD1 4.19Å; I146-L315 HydrophobicContact CG2-CD1 4.24Å; I146-L318 HydrophobicContact CD1-CD1 3.72Å
147N98Very high97.1Very high64 Ų6447 Ų4734%0.34225%0.252SS..Hα-helixtrans-59.9-44.3179.8-174.337.9000112.2L60 T143 D144 E149 V150 S151L60-N147 HydrophobicContact CD1-CB 4.11Å; L60-N147 WeakPolarHBondContact CD1-OD1 3.43Å; L60-N147 HydrophobicContact CD2-CB 3.86Å; T143-N147 WeakPolarHBondContact O-CB 3.26Å; T143-N147 PolarHBondContact O-N 3.11Å; D144-N147 PolarHBondContact O-N 2.87Å; N147-E149 VanDerWaalsContact C-N 3.34Å; N147-E149 PolarHBondContact O-N 2.88Å; N147-V150 PolarHBondContact O-N 3.42Å; N147-S151 VanDerWaalsContact O-CB 3.25Å; N147-S151 WeakPolarHBondContact O-CB 3.37Å; N147-S151 PolarHBondContact O-N 3.33Å; N147-S151 PolarHBondContact O-OG 3.33Å
148K97.9Very high97.2Very high156 Ų15652 Ų5268%0.67827%0.266SS*.Hα-helixtrans-61.3-44.2177.2-175.8179.2178.9-1790111.4D144 I145 I146 Q152D144-K148 WeakPolarHBondContact O-CB 3.31Å; D144-K148 PolarHBondContact O-N 2.98Å; I145-K148 PolarHBondContact O-N 2.79Å; I146-K148 VanDerWaalsContact C-N 3.35Å; I146-K148 PolarHBondContact O-N 3.07Å; K148-Q152 WeakPolarHBondContact O-CB 3.3Å; K148-Q152 PolarHBondContact O-N 3.22Å
149E96.7Very high97.3Very high17 Ų1753.4 Ų53.48%0.07928%0.278CS..Hα-helixtrans-61.4-50.2176.8176.4175.4-163.200111.8K132 Y133 I145 I146 N147 S151 Q152 V153 Q307K132-E149 WeakPolarHBondContact CE-OE2 3.41Å; K132-E149 IonicContact NZ-OE1 3.86Å; K132-E149 PolarHBondContact NZ-OE1 3.42Å; K132-E149 IonicContact NZ-OE2 3.78Å; K132-E149 PolarHBondContact NZ-OE2 3.18Å; Y133-E149 PolarHBondContact OH-OE2 3.45Å; I145-E149 PolarHBondContact O-N 3.06Å; I145-E149 VanDerWaalsContact O-N 3.14Å; I146-E149 WeakPolarHBondContact O-CB 3.45Å; I146-E149 PolarHBondContact O-N 2.93Å; N147-E149 VanDerWaalsContact C-N 3.34Å; N147-E149 PolarHBondContact O-N 2.88Å; E149-S151 PolarHBondContact O-N 2.88Å; E149-Q152 PolarHBondContact O-N 3Å; E149-V153 WeakPolarHBondContact O-CG2 3.48Å; E149-V153 PolarHBondContact O-N 2.96Å; E149-V153 VanDerWaalsContact O-N 3.07Å; E149-Q307 VanDerWaalsContact OE1-CD 3.29Å; E149-Q307 WeakPolarHBondContact OE1-CG 3.41Å; E149-Q307 PolarHBondContact OE1-NE2 3.29Å
150V97.7Very high97.3Very high4 Ų457 Ų572%0.02429%0.291CS..Hα-helixtrans-61.3-44.6179.4171.30000110.9L60 T64 L67 I146 N147 Q152 V153 E154L60-V150 HydrophobicContact CD1-CB 4.49Å; L60-V150 HydrophobicContact CD1-CG1 4.48Å; T64-V150 HydrophobicContact CG2-CG2 3.94Å; L67-V150 HydrophobicContact CD2-CG1 3.79Å; L67-V150 VanDerWaalsContact CD2-O 3.3Å; L67-V150 WeakPolarHBondContact CD2-O 3.41Å; I146-V150 HydrophobicContact CG2-CG2 4.13Å; I146-V150 VanDerWaalsContact O-CG2 3.31Å; I146-V150 WeakPolarHBondContact O-CG2 3.43Å; I146-V150 PolarHBondContact O-N 3.15Å; N147-V150 PolarHBondContact O-N 3.42Å; V150-Q152 PolarHBondContact O-N 3.43Å; V150-V153 PolarHBondContact O-N 3.41Å; V150-E154 PolarHBondContact O-N 2.94Å
151S97.6Very high97.4Very high49 Ų4955.8 Ų55.834%0.34328%0.283SS..Hα-helixtrans-65.9-38.3179.9-61.10000112.8N147 E149 E154 T155N147-S151 VanDerWaalsContact O-CB 3.25Å; N147-S151 WeakPolarHBondContact O-CB 3.37Å; N147-S151 PolarHBondContact O-N 3.33Å; N147-S151 PolarHBondContact O-OG 3.33Å; E149-S151 PolarHBondContact O-N 2.88Å; S151-E154 PolarHBondContact O-N 3.46Å; S151-T155 PolarHBondContact O-N 2.9Å; S151-T155 PolarHBondContact O-OG1 2.86Å
152Q97.6Very high97.4Very high106 Ų10657.8 Ų57.850%0.49530%0.296SS..Hα-helixtrans-62.6-49.3175.1-179.8-179.8-11.100110.5K148 E149 V150 E154 T155 E156K148-Q152 WeakPolarHBondContact O-CB 3.3Å; K148-Q152 PolarHBondContact O-N 3.22Å; E149-Q152 PolarHBondContact O-N 3Å; V150-Q152 PolarHBondContact O-N 3.43Å; Q152-E154 VanDerWaalsContact C-N 3.32Å; Q152-E154 PolarHBondContact O-N 3.07Å; Q152-T155 PolarHBondContact O-N 3.18Å; Q152-E156 WeakPolarHBondContact CG-OE1 3.4Å; Q152-E156 PolarHBondContact NE2-OE1 2.86Å; Q152-E156 PolarHBondContact O-N 2.81Å
153V98.1Very high97.2Very high4 Ų460.8 Ų60.82%0.02432%0.32CS..Hα-helixtrans-62.9-38.9179177.40000111.4L67 E149 V150 L157 W300 N304 V308L67-V153 HydrophobicContact CD2-CB 4.19Å; L67-V153 HydrophobicContact CD2-CG1 4.19Å; E149-V153 WeakPolarHBondContact O-CG2 3.48Å; E149-V153 PolarHBondContact O-N 2.96Å; E149-V153 VanDerWaalsContact O-N 3.07Å; V150-V153 PolarHBondContact O-N 3.41Å; V153-L157 VanDerWaalsContact O-CB 3.22Å; V153-L157 WeakPolarHBondContact O-CB 3.37Å; V153-L157 PolarHBondContact O-N 2.9Å; V153-W300 HydrophobicContact CG1-CH2 3.99Å; V153-W300 HydrophobicContact CG1-CZ2 4.42Å; V153-N304 HydrophobicContact CG1-CB 3.88Å; V153-N304 WeakPolarHBondContact CG2-OD1 3.49Å; V153-V308 HydrophobicContact CB-CG2 3.86Å; V153-V308 HydrophobicContact CG1-CG2 3.62Å; V153-V308 HydrophobicContact CG2-CG2 3.91Å
154E97.9Very high97.1Very high51 Ų5161.5 Ų61.524%0.23832%0.322CS..Hα-helixtrans-60.7-46.3175.4-176178.2-175.200112.2L67 V150 S151 Q152 L157 R158L67-E154 HydrophobicContact CD1-CB 3.91Å; L67-E154 HydrophobicContact CD1-CG 4.17Å; L67-E154 HydrophobicContact CD2-CB 4.11Å; V150-E154 PolarHBondContact O-N 2.94Å; S151-E154 PolarHBondContact O-N 3.46Å; Q152-E154 VanDerWaalsContact C-N 3.32Å; Q152-E154 PolarHBondContact O-N 3.07Å; E154-L157 PolarHBondContact O-N 3.49Å; E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 PolarHBondContact O-N 3.35Å; E154-R158 IonicContact OE1-NH2 2.63Å; E154-R158 PolarHBondContact OE1-NH2 3.38Å
155T98Very high97Very high98 Ų9860.9 Ų60.960%0.60132%0.319SS*.Hα-helixtrans-64.5-45.4-178.7-57.10000111S151 Q152 R158 S159S151-T155 PolarHBondContact O-N 2.9Å; S151-T155 PolarHBondContact O-OG1 2.86Å; Q152-T155 PolarHBondContact O-N 3.18Å; T155-R158 PolarHBondContact O-N 3.24Å; T155-S159 PolarHBondContact O-N 2.97Å; T155-S159 VanDerWaalsContact O-N 3.07Å
156E97.9Very high96.8Very high59 Ų5961.4 Ų61.428%0.27633%0.328SS..Hα-helixtrans-65.4-41177-74.1-173.6-146.500112.4Q152 R158 S159 R160 W300Q152-E156 WeakPolarHBondContact CG-OE1 3.4Å; Q152-E156 PolarHBondContact NE2-OE1 2.86Å; Q152-E156 PolarHBondContact O-N 2.81Å; E156-R158 VanDerWaalsContact C-N 3.33Å; E156-R158 PolarHBondContact O-N 3.42Å; E156-S159 PolarHBondContact O-N 3.46Å; E156-R160 WeakPolarHBondContact O-CB 3.46Å; E156-R160 VanDerWaalsContact O-CG 3.31Å; E156-R160 WeakPolarHBondContact O-CG 3.31Å; E156-R160 PolarHBondContact O-N 3.5Å; E156-W300 HydrophobicContact CB-CH2 3.96Å; E156-W300 HydrophobicContact CB-CZ2 3.38Å; E156-W300 HydrophobicContact CG-CZ2 4.41Å; E156-W300 WeakPolarHBondContact OE2-CZ2 3.33Å; E156-W300 PolarHBondContact OE2-NE1 3.4Å
157L97.7Very high96.6Very high14 Ų1462.2 Ų62.27%0.07333%0.332CS..Hα-helixtrans-58.1-48.3175.9174.164.3000110.4L67 K70 C74 V153 E154 A161 W300 L301L67-L157 HydrophobicContact CD1-CD2 3.75Å; K70-L157 HydrophobicContact CB-CD2 4.33Å; C74-L157 HydrophobicContact CB-CD1 4.36Å; V153-L157 VanDerWaalsContact O-CB 3.22Å; V153-L157 WeakPolarHBondContact O-CB 3.37Å; V153-L157 PolarHBondContact O-N 2.9Å; E154-L157 PolarHBondContact O-N 3.49Å; L157-A161 WeakPolarHBondContact O-CB 3.4Å; L157-A161 PolarHBondContact O-N 3.05Å; L157-W300 HydrophobicContact CB-CH2 3.81Å; L157-W300 HydrophobicContact CB-CZ3 3.99Å; L157-W300 HydrophobicContact CD1-CZ3 3.95Å; L157-L301 HydrophobicContact CD1-CD2 3.51Å
158R96.9Very high96.3Very high159 Ų15961.7 Ų61.760%0.633%0.327SS*.Hα-helixtrans-60.1-50.2-179.9-169.8-179.7-58.8177.43.9111.1E154 T155 E156 A161 T162E154-R158 WeakPolarHBondContact O-CB 3.35Å; E154-R158 PolarHBondContact O-N 3.35Å; E154-R158 IonicContact OE1-NH2 2.63Å; E154-R158 PolarHBondContact OE1-NH2 3.38Å; T155-R158 PolarHBondContact O-N 3.24Å; E156-R158 VanDerWaalsContact C-N 3.33Å; E156-R158 PolarHBondContact O-N 3.42Å; R158-A161 PolarHBondContact O-N 2.97Å; R158-T162 PolarHBondContact O-N 3.41Å; R158-T162 PolarHBondContact O-OG1 3.35Å; R158-T162 VanDerWaalsContact O-OG1 3.07Å
159S97Very high96.1Very high83 Ų8356.9 Ų56.958%0.5832%0.316SS*.Hα-helixtrans-60-49.4-180177.70000112.2T155 E156 T162 A163T155-S159 PolarHBondContact O-N 2.97Å; T155-S159 VanDerWaalsContact O-N 3.07Å; E156-S159 PolarHBondContact O-N 3.46Å; S159-T162 PolarHBondContact O-N 2.82Å; S159-A163 PolarHBondContact O-N 2.9Å
160R96.4Very high95.8Very high86 Ų8658.9 Ų58.933%0.32533%0.332SS..Hα-helixtrans-66.9-40.6-179-69.6174.7179.3-96.41.5112.3E156 A163 Y164 F297E156-R160 WeakPolarHBondContact O-CB 3.46Å; E156-R160 VanDerWaalsContact O-CG 3.31Å; E156-R160 WeakPolarHBondContact O-CG 3.31Å; E156-R160 PolarHBondContact O-N 3.5Å; R160-A163 PolarHBondContact O-N 3.05Å; R160-Y164 WeakPolarHBondContact O-CB 3.48Å; R160-Y164 PolarHBondContact O-N 3.04Å; R160-F297 HydrophobicContact CB-CD2 3.8Å; R160-F297 HydrophobicContact CB-CE2 3.51Å; R160-F297 HydrophobicContact CB-CZ 4.27Å
161A96.1Very high95.5Very high17 Ų1758.7 Ų58.714%0.1433%0.331CS..Hα-helixtrans-63-44.4176.800000111.5L157 R158 A163 Y164 N165 F297L157-A161 WeakPolarHBondContact O-CB 3.4Å; L157-A161 PolarHBondContact O-N 3.05Å; R158-A161 PolarHBondContact O-N 2.97Å; A161-A163 PolarHBondContact O-N 3Å; A161-Y164 PolarHBondContact O-N 3.18Å; A161-N165 VanDerWaalsContact O-CB 3.27Å; A161-N165 WeakPolarHBondContact O-CB 3.33Å; A161-N165 VanDerWaalsContact O-CG 3.24Å; A161-N165 PolarHBondContact O-N 3.38Å; A161-N165 PolarHBondContact O-ND2 3.39Å; A161-F297 HydrophobicContact CB-CZ 4.07Å
162T96.4Very high95.1Very high92 Ų9260.1 Ų60.156%0.56433%0.332SS*.Hα-helixtrans-61.1-44.9175.6-61.70000111.7R158 S159 N165 S166R158-T162 PolarHBondContact O-N 3.41Å; R158-T162 PolarHBondContact O-OG1 3.35Å; R158-T162 VanDerWaalsContact O-OG1 3.07Å; S159-T162 PolarHBondContact O-N 2.82Å; T162-N165 PolarHBondContact O-N 3.4Å; T162-S166 WeakPolarHBondContact O-CB 3.33Å; T162-S166 PolarHBondContact O-N 2.98Å
163A94.5Very high94.6Very high63 Ų6358.4 Ų58.452%0.52133%0.332SS..Hα-helixtrans-62.5-46.5178.400000112.4S159 R160 A161 S166 L167S159-A163 PolarHBondContact O-N 2.9Å; R160-A163 PolarHBondContact O-N 3.05Å; A161-A163 PolarHBondContact O-N 3Å; A163-S166 PolarHBondContact O-N 3.27Å; A163-L167 PolarHBondContact O-N 3.48Å; A163-L167 VanDerWaalsContact O-N 3.11Å
164Y95.1Very high93.9Very high21 Ų2159.9 Ų59.98%0.08234%0.339CS..Hα-helixtrans-64.4-44.3178.5-177.9-99.2000112.1V78 R160 A161 L167 K168 Q293 F297V78-Y164 HydrophobicContact CG1-CE1 4.15Å; V78-Y164 HydrophobicContact CG2-CD1 4.19Å; V78-Y164 HydrophobicContact CG2-CE1 3.96Å; R160-Y164 WeakPolarHBondContact O-CB 3.48Å; R160-Y164 PolarHBondContact O-N 3.04Å; A161-Y164 PolarHBondContact O-N 3.18Å; Y164-L167 PolarHBondContact O-N 2.76Å; Y164-K168 WeakPolarHBondContact O-CB 3.22Å; Y164-K168 PolarHBondContact O-N 2.98Å; Y164-Q293 HydrophobicContact CD2-CB 4.33Å; Y164-F297 HydrophobicContact CD1-CD1 4.17Å; Y164-F297 HydrophobicContact CD1-CE1 4.28Å; Y164-F297 HydrophobicContact CD2-CD1 4.2Å; Y164-F297 AromaticContact CG-CD1 3.82Å; Y164-F297 HydrophobicContact CG-CD1 3.82Å; Y164-F297 HydrophobicContact CG-CE1 4.2Å
165N93.6Very high93.2Very high79 Ų7961.3 Ų61.342%0.42235%0.346SS..Hα-helixtrans-68.4-36179.9-72.3-18.9000112.3A161 T162 K168 A169A161-N165 VanDerWaalsContact O-CB 3.27Å; A161-N165 WeakPolarHBondContact O-CB 3.33Å; A161-N165 VanDerWaalsContact O-CG 3.24Å; A161-N165 PolarHBondContact O-N 3.38Å; A161-N165 PolarHBondContact O-ND2 3.39Å; T162-N165 PolarHBondContact O-N 3.4Å; N165-K168 PolarHBondContact O-N 2.68Å; N165-A169 WeakPolarHBondContact O-CB 3.36Å; N165-A169 PolarHBondContact O-N 3.04Å
166S94.6Very high92.2Very high68 Ų6862.8 Ų62.848%0.47635%0.349SS..Hα-helixtrans-61.5-45.5172.4-176.20000111.3T162 A163 K168 A169 S170T162-S166 WeakPolarHBondContact O-CB 3.33Å; T162-S166 PolarHBondContact O-N 2.98Å; A163-S166 PolarHBondContact O-N 3.27Å; S166-K168 VanDerWaalsContact C-N 3.34Å; S166-K168 PolarHBondContact O-N 2.73Å; S166-A169 PolarHBondContact O-N 3.3Å; S166-S170 PolarHBondContact O-N 3.03Å; S166-S170 PolarHBondContact O-OG 2.89Å; S166-S170 VanDerWaalsContact O-OG 3.1Å
167L93.4Very high90.9Very high17 Ų1763.4 Ų63.49%0.08936%0.355CS..Hα-helixtrans-62.4-42.9177.9179.860.6000111.6A163 Y164 L171 L286 H289 K290 Q293A163-L167 PolarHBondContact O-N 3.48Å; A163-L167 VanDerWaalsContact O-N 3.11Å; Y164-L167 PolarHBondContact O-N 2.76Å; L167-L171 WeakPolarHBondContact O-CB 3.27Å; L167-L171 PolarHBondContact O-N 3.33Å; L167-L171 VanDerWaalsContact O-N 3.11Å; L167-L286 HydrophobicContact CD1-CB 4.49Å; L167-L286 HydrophobicContact CD1-CD2 3.6Å; L167-H289 HydrophobicContact CD2-CB 4.46Å; L167-K290 HydrophobicContact CD2-CB 4.06Å; L167-K290 HydrophobicContact CG-CB 4.26Å; L167-Q293 HydrophobicContact CD2-CB 4.24Å; L167-Q293 HydrophobicContact CD2-CG 4.02Å
168K92.1Very high89.6Confident53 Ų5365 Ų6523%0.2336%0.363CS..Hα-helixtrans-59.9-48.9175-178.8179.6171.4-178.90111.3Y164 N165 S166 L171 E172Y164-K168 WeakPolarHBondContact O-CB 3.22Å; Y164-K168 PolarHBondContact O-N 2.98Å; N165-K168 PolarHBondContact O-N 2.68Å; S166-K168 VanDerWaalsContact C-N 3.34Å; S166-K168 PolarHBondContact O-N 2.73Å; K168-L171 PolarHBondContact O-N 3.45Å; K168-E172 WeakPolarHBondContact CE-OE1 3.45Å; K168-E172 HydrophobicContact CG-CG 4.5Å; K168-E172 WeakPolarHBondContact CG-OE1 3.5Å; K168-E172 IonicContact NZ-OE1 2.65Å; K168-E172 WeakPolarHBondContact O-CG 3.25Å; K168-E172 PolarHBondContact O-N 3.26Å
169A92.4Very high88.2Confident55 Ų5564.4 Ų64.446%0.45537%0.372SS..Hα-helixtrans-64.2-41.2-179.300000112.7N165 S166 L171 E172 S173N165-A169 WeakPolarHBondContact O-CB 3.36Å; N165-A169 PolarHBondContact O-N 3.04Å; S166-A169 PolarHBondContact O-N 3.3Å; A169-L171 VanDerWaalsContact C-N 3.35Å; A169-L171 PolarHBondContact O-N 2.86Å; A169-E172 PolarHBondContact O-N 2.95Å; A169-S173 WeakPolarHBondContact O-CB 3.42Å; A169-S173 PolarHBondContact O-N 2.8Å
170S91.3Very high87Confident58 Ų5861.7 Ų61.741%0.40636%0.357SS..Hα-helixtrans-61.3-43.1175.2-64.20000112S166 L174S166-S170 PolarHBondContact O-N 3.03Å; S166-S170 PolarHBondContact O-OG 2.89Å; S166-S170 VanDerWaalsContact O-OG 3.1Å; S170-L174 WeakPolarHBondContact O-CG 3.15Å; S170-L174 PolarHBondContact O-N 2.65Å
171L90.8Very high86.1Confident1 Ų162 Ų621%0.00537%0.365CS..Hα-helixtrans-67.9-45.5178.2177.5142.2000111.9L167 K168 A169 S173 L174 E175 L286 S287 K290L167-L171 WeakPolarHBondContact O-CB 3.27Å; L167-L171 PolarHBondContact O-N 3.33Å; L167-L171 VanDerWaalsContact O-N 3.11Å; K168-L171 PolarHBondContact O-N 3.45Å; A169-L171 VanDerWaalsContact C-N 3.35Å; A169-L171 PolarHBondContact O-N 2.86Å; L171-S173 VanDerWaalsContact C-N 3.29Å; L171-S173 PolarHBondContact O-N 2.96Å; L171-L174 PolarHBondContact O-N 3.4Å; L171-L174 VanDerWaalsContact O-N 3.08Å; L171-E175 HydrophobicContact CD2-CG 4.23Å; L171-E175 VanDerWaalsContact CD2-OE1 3.3Å; L171-E175 WeakPolarHBondContact CD2-OE1 2.82Å; L171-E175 VanDerWaalsContact CD2-OE2 3.31Å; L171-E175 WeakPolarHBondContact CD2-OE2 3.39Å; L171-E175 HydrophobicContact CG-CG 4.43Å; L171-E175 WeakPolarHBondContact O-CG 3.26Å; L171-E175 PolarHBondContact O-N 3.3Å; L171-L286 HydrophobicContact CD1-CB 4.12Å; L171-S287 VanDerWaalsContact CD1-CA 3.5Å; L171-K290 HydrophobicContact CD1-CD 4.08Å; L171-K290 HydrophobicContact CD2-CD 4.15Å
172E89Confident85.5Confident78 Ų7861.8 Ų61.836%0.36436%0.362SS..Hα-helixtrans-59.8-40176.4-76173.1-177.300111.7K168 A169 L174 E175 L176K168-E172 WeakPolarHBondContact CE-OE1 3.45Å; K168-E172 HydrophobicContact CG-CG 4.5Å; K168-E172 WeakPolarHBondContact CG-OE1 3.5Å; K168-E172 IonicContact NZ-OE1 2.65Å; K168-E172 WeakPolarHBondContact O-CG 3.25Å; K168-E172 PolarHBondContact O-N 3.26Å; A169-E172 PolarHBondContact O-N 2.95Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 2.97Å; E172-E175 PolarHBondContact O-N 2.97Å; E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.37Å
173S86.9Confident84.6Confident71 Ų7160.3 Ų60.350%0.49735%0.348SS..Hα-helixtrans-63.4-33.4175.7-176.90000113.1A169 L171 N177A169-S173 WeakPolarHBondContact O-CB 3.42Å; A169-S173 PolarHBondContact O-N 2.8Å; L171-S173 VanDerWaalsContact C-N 3.29Å; L171-S173 PolarHBondContact O-N 2.96Å; S173-N177 PolarHBondContact O-ND2 3.43Å; S173-N177 VanDerWaalsContact O-ND2 3.12Å
174L83.1Confident83.7Confident34 Ų3460.3 Ų60.318%0.17834%0.342CS..Hα-helixtrans-79.4-38.2177.2-70.4171.6000111.7S170 L171 E172 N177 E282 I283 L286S170-L174 WeakPolarHBondContact O-CG 3.15Å; S170-L174 PolarHBondContact O-N 2.65Å; L171-L174 PolarHBondContact O-N 3.4Å; L171-L174 VanDerWaalsContact O-N 3.08Å; E172-L174 VanDerWaalsContact C-N 3.29Å; E172-L174 PolarHBondContact O-N 2.97Å; L174-N177 WeakPolarHBondContact O-CB 3.26Å; L174-N177 PolarHBondContact O-N 2.95Å; L174-E282 HydrophobicContact CD1-CG 4.08Å; L174-I283 HydrophobicContact CB-CD1 4.04Å; L174-I283 HydrophobicContact CB-CG1 3.7Å; L174-I283 HydrophobicContact CD1-CG1 4.18Å; L174-L286 HydrophobicContact CD1-CD1 3.52Å
175E83.4Confident83.1Confident82 Ų8262.5 Ų62.538%0.38335%0.35SS..Hα-helixtrans-65.6-37.8177-73.2178.3159.600112.3L171 E172 N177 L178L171-E175 HydrophobicContact CD2-CG 4.23Å; L171-E175 VanDerWaalsContact CD2-OE1 3.3Å; L171-E175 WeakPolarHBondContact CD2-OE1 2.82Å; L171-E175 VanDerWaalsContact CD2-OE2 3.31Å; L171-E175 WeakPolarHBondContact CD2-OE2 3.39Å; L171-E175 HydrophobicContact CG-CG 4.43Å; L171-E175 WeakPolarHBondContact O-CG 3.26Å; L171-E175 PolarHBondContact O-N 3.3Å; E172-E175 PolarHBondContact O-N 2.97Å; E175-N177 PolarHBondContact O-N 3.32Å; E175-L178 WeakPolarHBondContact O-CB 3.27Å; E175-L178 PolarHBondContact O-N 3.21Å
176L78.5Confident82.7Confident128 Ų12859.2 Ų59.267%0.6733%0.333SS*.Hα-helixtrans-59.5-29.8174.4-77.4171.1000112.8E172 L178 N179 G180E172-L176 WeakPolarHBondContact O-CG 3.37Å; E172-L176 PolarHBondContact O-N 3.37Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L176-N179 PolarHBondContact O-N 3.3Å; L176-G180 PolarHBondContact O-N 3.04Å; L176-G180 VanDerWaalsContact O-N 3.11Å
177N70.6Confident82.1Confident72 Ų7256 Ų5639%0.38531%0.311SS..Hα-helixtrans-71.8-25.3175.6-65.2-38.5000112.3S173 L174 E175 T184 R185 S186S173-N177 PolarHBondContact O-ND2 3.43Å; S173-N177 VanDerWaalsContact O-ND2 3.12Å; L174-N177 WeakPolarHBondContact O-CB 3.26Å; L174-N177 PolarHBondContact O-N 2.95Å; E175-N177 PolarHBondContact O-N 3.32Å; N177-T184 CarbonylContact O-C 3.55Å; N177-R185 VanDerWaalsContact O-CA 3.32Å; N177-R185 WeakPolarHBondContact O-CA 3.3Å; N177-S186 PolarHBondContact O-N 3.36Å
178L70.6Confident81.5Confident49 Ų4957.5 Ų57.526%0.25732%0.319SS..Hα-helixtrans-66.5-40.7176-63.4177.2000111.4E175 L176 R185 S186 I283E175-L178 WeakPolarHBondContact O-CB 3.27Å; E175-L178 PolarHBondContact O-N 3.21Å; L176-L178 VanDerWaalsContact C-N 3.31Å; L178-R185 VanDerWaalsContact O-CG 3.25Å; L178-R185 WeakPolarHBondContact O-CG 3.22Å; L178-S186 PolarHBondContact O-N 2.9Å; L178-S186 VanDerWaalsContact O-N 3.13Å; L178-I283 HydrophobicContact CD1-CD1 3.8Å; L178-I283 HydrophobicContact CD2-CD1 4.06Å; L178-I283 HydrophobicContact CG-CD1 3.95Å
179N67.6Low81Confident145 Ų14560.2 Ų60.278%0.77534%0.336SS*.THydrogen-bonded Turntrans-107.819.1-173.8-66.630.8000113.2L176L176-N179 PolarHBondContact O-N 3.3Å
180G70.5Confident80.6Confident26 Ų2659.6 Ų59.627%0.26833%0.326SS..  trans-69.2-170.8-17800000114.3L176 R185L176-G180 PolarHBondContact O-N 3.04Å; L176-G180 VanDerWaalsContact O-N 3.11Å; G180-R185 WeakPolarHBondContact O-CB 3.39Å
181N78.6Confident80.4Confident94 Ų9457.1 Ų57.150%0.50331%0.308SS..  trans-70.5175.5173.963.231.5000111.3Q183 T184 R185N181-Q183 PolarHBondContact O-N 3.47Å; N181-Q183 VanDerWaalsContact OD1-CB 3.27Å; N181-Q183 WeakPolarHBondContact OD1-CB 2.96Å; N181-Q183 PolarHBondContact OD1-N 3.14Å; N181-T184 PolarHBondContact N-OG1 3.49Å; N181-T184 PolarHBondContact O-N 3.41Å; N181-T184 PolarHBondContact OD1-N 3.24Å; N181-T184 PolarHBondContact OD1-OG1 3.42Å; N181-R185 WeakPolarHBondContact O-CB 3.15Å; N181-R185 PolarHBondContact O-N 3.46Å
182L81.7Confident80.1Confident12 Ų1265.7 Ų65.76%0.06334%0.341CS..THydrogen-bonded Turntrans-49.8-24.3179.5-65.4174.4000115.2V208 F237 D239 G242 I244 R269L182-V208 HydrophobicContact CB-CG1 3.74Å; L182-V208 HydrophobicContact CB-CG2 4.46Å; L182-V208 HydrophobicContact CD1-CG1 3.85Å; L182-V208 HydrophobicContact CG-CG1 4.46Å; L182-F237 HydrophobicContact CD2-CD1 3.54Å; L182-F237 HydrophobicContact CD2-CE1 3.64Å; L182-D239 WeakPolarHBondContact CD1-OD1 3.49Å; L182-D239 HydrophobicContact CD2-CB 4.31Å; L182-D239 WeakPolarHBondContact CD2-OD2 3.11Å; L182-D239 WeakPolarHBondContact CG-OD2 3.41Å; L182-G242 VanDerWaalsContact CD1-C 3.4Å; L182-I244 HydrophobicContact CB-CG1 4.49Å; L182-I244 HydrophobicContact CD2-CD1 4.25Å; L182-I244 HydrophobicContact CD2-CG1 4.09Å; L182-R269 PolarHBondContact O-NH1 2.87Å
183Q77.8Confident79.8Confident60 Ų6069.1 Ų69.128%0.2835%0.354SS..THydrogen-bonded Turntrans-80.5-35.1179.6-56.8-63.6-20.400112.9N181 V208 I267 R269N181-Q183 PolarHBondContact O-N 3.47Å; N181-Q183 VanDerWaalsContact OD1-CB 3.27Å; N181-Q183 WeakPolarHBondContact OD1-CB 2.96Å; N181-Q183 PolarHBondContact OD1-N 3.14Å; Q183-V208 VanDerWaalsContact NE2-CB 3.27Å; Q183-V208 VanDerWaalsContact NE2-CG1 3.34Å; Q183-I267 VanDerWaalsContact NE2-CD1 3.31Å; Q183-I267 VanDerWaalsContact OE1-CG2 3.25Å; Q183-R269 WeakPolarHBondContact O-CD 3.47Å; Q183-R269 PolarHBondContact O-NE 2.91Å
184T76.9Confident79.6Confident63 Ų6372.8 Ų72.839%0.38737%0.368SS..THydrogen-bonded Turntrans-111.9-25.5-171.157.50000113.9N177 N181 R269N177-T184 CarbonylContact O-C 3.55Å; N181-T184 PolarHBondContact N-OG1 3.49Å; N181-T184 PolarHBondContact O-N 3.41Å; N181-T184 PolarHBondContact OD1-N 3.24Å; N181-T184 PolarHBondContact OD1-OG1 3.42Å; T184-R269 PolarHBondContact O-NH2 3.48Å
185R82.6Confident79.6Confident68 Ų6872.3 Ų72.326%0.25737%0.366SS..SBendtrans-49.2136.6-179.6-169.9-159.5162.5128.8-4.9112.3N177 L178 G180 N181 D189 R269N177-R185 VanDerWaalsContact O-CA 3.32Å; N177-R185 WeakPolarHBondContact O-CA 3.3Å; L178-R185 VanDerWaalsContact O-CG 3.25Å; L178-R185 WeakPolarHBondContact O-CG 3.22Å; G180-R185 WeakPolarHBondContact O-CB 3.39Å; N181-R185 WeakPolarHBondContact O-CB 3.15Å; N181-R185 PolarHBondContact O-N 3.46Å; R185-D189 IonicContact CZ-OD2 2.79Å; R185-D189 IonicContact NH2-OD2 3.06Å; R185-D189 PolarHBondContact NH2-OD2 3.44Å; R185-R269 PolarHBondContact O-NH1 3.36Å; R185-R269 PolarHBondContact O-NH2 2.73Å
186S83.5Confident79.7Confident10 Ų1069.6 Ų69.67%0.0735%0.354CS..  trans-59.1141.9168.6-165.80000111.1N177 L178 E276N177-S186 PolarHBondContact O-N 3.36Å; L178-S186 PolarHBondContact O-N 2.9Å; L178-S186 VanDerWaalsContact O-N 3.13Å; S186-E276 VanDerWaalsContact CB-OE1 3.22Å; S186-E276 WeakPolarHBondContact CB-OE1 3.38Å; S186-E276 PolarHBondContact OG-OE1 2.74Å
187L84Confident80Confident0 Ų066.7 Ų66.70%034%0.341CS..  trans-112.48178-56.1178.1000112.4D189 V190 L191 L206 I244 Y271L187-D189 PolarHBondContact O-N 2.88Å; L187-V190 PolarHBondContact O-N 3.49Å; L187-L191 HydrophobicContact CB-CB 4.2Å; L187-L191 VanDerWaalsContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CB 3.31Å; L187-L191 PolarHBondContact O-N 3.24Å; L187-L206 HydrophobicContact CD1-CD1 3.46Å; L187-L206 VanDerWaalsContact CD1-CD1 3.46Å; L187-I244 HydrophobicContact CD1-CD1 3.92Å; L187-I244 HydrophobicContact CD2-CD1 3.48Å; L187-I244 VanDerWaalsContact CD2-CD1 3.48Å; L187-I244 HydrophobicContact CG-CD1 4.33Å; L187-Y271 HydrophobicContact CB-CE2 3.89Å; L187-Y271 HydrophobicContact CD1-CD2 4.14Å; L187-Y271 HydrophobicContact CD1-CE2 4.34Å; L187-Y271 HydrophobicContact CG-CE2 4.43Å
188N80.7Confident80.6Confident49 Ų4968.2 Ų68.226%0.26235%0.353SS..THydrogen-bonded Turntrans-64.2-23.4-177.3-79.3-2.6000113.5Y271 E276 Q280N188-Y271 PolarHBondContact OD1-OH 2.88Å; N188-E276 VanDerWaalsContact CG-CG 3.47Å; N188-E276 WeakPolarHBondContact ND2-CG 3.44Å; N188-E276 VanDerWaalsContact OD1-CG 3.27Å; N188-E276 WeakPolarHBondContact OD1-CG 3.27Å; N188-Q280 PolarHBondContact ND2-NE2 3.19Å; N188-Q280 PolarHBondContact ND2-OE1 3.32Å
189D79.9Confident81.5Confident110 Ų11068.3 Ų68.359%0.58836%0.358SS*.THydrogen-bonded Turntrans-80-22.3175.458.8-31.3000113.3R185 L187R185-D189 IonicContact CZ-OD2 2.79Å; R185-D189 IonicContact NH2-OD2 3.06Å; R185-D189 PolarHBondContact NH2-OD2 3.44Å; L187-D189 PolarHBondContact O-N 2.88Å
190V84.8Confident82.6Confident41 Ų4168.2 Ų68.225%0.24835%0.353CS..THydrogen-bonded Turntrans-114.6-31.5-172.7-161.20000113.4L187 I236 F237L187-V190 PolarHBondContact O-N 3.49Å; V190-I236 HydrophobicContact CB-CG2 4.27Å; V190-I236 HydrophobicContact CG1-CG2 3.76Å; V190-I236 WeakPolarHBondContact CG1-O 3.32Å; V190-F237 HydrophobicContact CG1-CB 4.13Å; V190-F237 HydrophobicContact CG1-CD2 4.23Å; V190-F237 HydrophobicContact CG2-CD2 3.85Å; V190-F237 HydrophobicContact CG2-CE2 4.5Å; V190-F237 HydrophobicContact CG2-CG 4.5Å
191L86.6Confident83.6Confident7 Ų773.3 Ų73.34%0.03737%0.365CS..  trans-100.1124.2-173.2-167.574.6000111.2L187 D195 L196 L206 I236 Y271 F273L187-L191 HydrophobicContact CB-CB 4.2Å; L187-L191 VanDerWaalsContact O-CB 3.31Å; L187-L191 WeakPolarHBondContact O-CB 3.31Å; L187-L191 PolarHBondContact O-N 3.24Å; L191-D195 HydrophobicContact CD1-CB 3.86Å; L191-L196 HydrophobicContact CD1-CD2 4.36Å; L191-L196 HydrophobicContact CD2-CD1 3.91Å; L191-L196 HydrophobicContact CD2-CD2 4.19Å; L191-L196 HydrophobicContact CD2-CG 4.07Å; L191-L196 HydrophobicContact CG-CG 4.5Å; L191-L206 HydrophobicContact CD1-CD2 4.29Å; L191-L206 HydrophobicContact CD2-CD1 4.08Å; L191-I236 HydrophobicContact CB-CG2 4.43Å; L191-I236 HydrophobicContact CD1-CD1 4.16Å; L191-I236 HydrophobicContact CD1-CG1 4.02Å; L191-I236 HydrophobicContact CD1-CG2 3.84Å; L191-Y271 HydrophobicContact CD2-CD1 3.69Å; L191-Y271 HydrophobicContact CD2-CE1 3.3Å; L191-Y271 HydrophobicContact CD2-CE2 4.34Å; L191-Y271 HydrophobicContact CD2-CG 4.35Å; L191-F273 HydrophobicContact CD2-CZ 4.05Å; L191-F273 HydrophobicContact CG-CZ 4.17Å
192R84.8Confident84.4Confident180 Ų18070.9 Ų70.968%0.67935%0.351SS*.  trans-97.4156.3175.9-61.1178.1-178158.51.3110.7D194 D195R192-D194 PolarHBondContact O-N 3.06Å; R192-D195 PolarHBondContact N-OD2 3.08Å; R192-D195 VanDerWaalsContact O-CB 3.31Å; R192-D195 WeakPolarHBondContact O-CB 3.5Å; R192-D195 PolarHBondContact O-N 3.01Å
193K83.3Confident85Confident151 Ų15171.6 Ų71.666%0.65736%0.356SS*.G310 helixtrans-57.2-34.8176.4-69.6-172.2177.9-175.70112.2D195 L196 F273K193-D195 PolarHBondContact O-N 3.33Å; K193-L196 PolarHBondContact O-N 3.46Å; K193-F273 HydrophobicContact CB-CE2 4.38Å; K193-F273 HydrophobicContact CG-CD2 4.22Å; K193-F273 HydrophobicContact CG-CE1 4.4Å; K193-F273 HydrophobicContact CG-CE2 3.95Å; K193-F273 HydrophobicContact CG-CZ 4.07Å
194D83.4Confident85.7Confident148 Ų14869.3 Ų69.379%0.79135%0.347SS*.G310 helixtrans-67.6-17.2178-53.6-37000113.6R192 L196R192-D194 PolarHBondContact O-N 3.06Å; D194-L196 VanDerWaalsContact C-N 3.32Å
195D82.3Confident86.5Confident24 Ų2467.1 Ų67.113%0.12833%0.332CS..G310 helixtrans-81.7-14179.3-60.1-36.8000112.9L191 R192 K193 R234 I236L191-D195 HydrophobicContact CD1-CB 3.86Å; R192-D195 PolarHBondContact N-OD2 3.08Å; R192-D195 VanDerWaalsContact O-CB 3.31Å; R192-D195 WeakPolarHBondContact O-CB 3.5Å; R192-D195 PolarHBondContact O-N 3.01Å; K193-D195 PolarHBondContact O-N 3.33Å; D195-R234 IonicContact OD1-CZ 2.8Å; D195-R234 IonicContact OD1-NH1 2.67Å; D195-R234 PolarHBondContact OD1-NH1 3.22Å; D195-R234 IonicContact OD1-NH2 3.88Å; D195-R234 PolarHBondContact OD1-NH2 2.87Å; D195-R234 IonicContact OD2-NH2 3.5Å; D195-R234 PolarHBondContact OD2-NH2 3.46Å; D195-I236 HydrophobicContact CB-CD1 4.48Å
196L85.9Confident87.1Confident25 Ų2564 Ų6413%0.13132%0.321CS..SBendtrans-110.8112.9177.5-61.3-173.3000110.4L191 K193 D194 V198 T204 L206 Y271 F273L191-L196 HydrophobicContact CD1-CD2 4.36Å; L191-L196 HydrophobicContact CD2-CD1 3.91Å; L191-L196 HydrophobicContact CD2-CD2 4.19Å; L191-L196 HydrophobicContact CD2-CG 4.07Å; L191-L196 HydrophobicContact CG-CG 4.5Å; K193-L196 PolarHBondContact O-N 3.46Å; D194-L196 VanDerWaalsContact C-N 3.32Å; L196-V198 PolarHBondContact O-N 2.89Å; L196-T204 HydrophobicContact CD2-CG2 3.7Å; L196-L206 HydrophobicContact CD2-CD2 4.2Å; L196-Y271 HydrophobicContact CD1-CD1 3.83Å; L196-Y271 HydrophobicContact CD1-CE1 4.02Å; L196-F273 HydrophobicContact CB-CE2 4.45Å; L196-F273 HydrophobicContact CD1-CD2 4.02Å; L196-F273 HydrophobicContact CD1-CE2 3.43Å; L196-F273 VanDerWaalsContact CD1-CE2 3.43Å; L196-F273 HydrophobicContact CD1-CZ 4.13Å; L196-F273 HydrophobicContact CG-CE2 4.06Å
197V84.7Confident87.6Confident66 Ų6663.5 Ų63.540%0.432%0.317SS..  trans-83.5104.9171.2-177.20000108.3L202 T203 T204 T248V197-L202 HydrophobicContact CG1-CB 4.29Å; V197-L202 HydrophobicContact CG1-CD1 4.45Å; V197-T203 CarbonylContact O-C 3.39Å; V197-T203 VanDerWaalsContact O-C 3.32Å; V197-T203 WeakPolarHBondContact O-CA 3.36Å; V197-T204 PolarHBondContact N-OG1 2.9Å; V197-T204 PolarHBondContact O-N 3.36Å; V197-T204 VanDerWaalsContact O-N 3.08Å; V197-T204 PolarHBondContact O-OG1 2.85Å; V197-T248 HydrophobicContact CB-CG2 4.05Å; V197-T248 HydrophobicContact CG1-CG2 4.36Å
198V83.4Confident88.1Confident105 Ų10564.1 Ų64.164%0.63632%0.321SS*.  trans-116.9109.7171.2-175.50000108L196L196-V198 PolarHBondContact O-N 2.89Å
199S89Confident88.8Confident50 Ų5061.8 Ų61.835%0.3531%0.308SS..  trans-126.2-174.1175.678.10000110.4Y201 L202 K251S199-Y201 PolarHBondContact O-N 3.44Å; S199-Y201 PolarHBondContact OG-N 3.02Å; S199-L202 PolarHBondContact N-O 3.11Å; S199-L202 WeakPolarHBondContact OG-CB 3.4Å; S199-L202 PolarHBondContact OG-N 3.35Å; S199-K251 WeakPolarHBondContact O-CE 3.27Å; S199-K251 PolarHBondContact O-NZ 3.12Å
200E90.5Very high89.5Confident143 Ų14359 Ų5967%0.66830%0.298SS*.SBendtrans-55.5-42.6174.7-171.3-179163.700111.3K251E200-K251 WeakPolarHBondContact O-CD 3.3Å; E200-K251 PolarHBondContact O-NZ 3.32Å; E200-K251 VanDerWaalsContact O-NZ 3.1Å
201Y92.4Very high90Very high134 Ų13462.9 Ų62.953%0.52531%0.308SS..SBendtrans-110.1-25.4-171.7-59.4-76.2000114.9S199 F250 K251S199-Y201 PolarHBondContact O-N 3.44Å; S199-Y201 PolarHBondContact OG-N 3.02Å; Y201-F250 CarbonylContact O-C 3.51Å; Y201-F250 VanDerWaalsContact O-CA 3.3Å; Y201-F250 WeakPolarHBondContact O-CA 3.36Å; Y201-K251 PolarHBondContact O-N 2.83Å
202L94Very high90.3Very high42 Ų4271.4 Ų71.422%0.2235%0.348CS..EExtended strand (participates in β ladder)trans-105.2150.7-177.5-61.1176.1000111.5V197 S199 V229 T248 L249 F250V197-L202 HydrophobicContact CG1-CB 4.29Å; V197-L202 HydrophobicContact CG1-CD1 4.45Å; S199-L202 PolarHBondContact N-O 3.11Å; S199-L202 WeakPolarHBondContact OG-CB 3.4Å; S199-L202 PolarHBondContact OG-N 3.35Å; L202-V229 HydrophobicContact CD2-CG2 4.16Å; L202-T248 HydrophobicContact CB-CG2 4.33Å; L202-L249 WeakPolarHBondContact CA-O 3.37Å; L202-F250 HydrophobicContact CD2-CD1 4.19Å; L202-F250 HydrophobicContact CD2-CD2 3.57Å; L202-F250 HydrophobicContact CD2-CE1 4.27Å; L202-F250 HydrophobicContact CD2-CE2 3.68Å; L202-F250 HydrophobicContact CD2-CG 3.87Å; L202-F250 HydrophobicContact CD2-CZ 4.03Å
203T93.8Very high90.8Very high27 Ų2765.1 Ų65.117%0.16633%0.325CS..EExtended strand (participates in β ladder)trans-143.3149170.2-166.80000109.5V197 T248 L249 K251 V254V197-T203 CarbonylContact O-C 3.39Å; V197-T203 VanDerWaalsContact O-C 3.32Å; V197-T203 WeakPolarHBondContact O-CA 3.36Å; T203-T248 WeakPolarHBondContact O-CA 3.39Å; T203-L249 HydrophobicContact CG2-CD2 4.41Å; T203-L249 PolarHBondContact N-O 3.02Å; T203-L249 PolarHBondContact O-N 3.02Å; T203-L249 VanDerWaalsContact O-O 3.11Å; T203-K251 HydrophobicContact CG2-CG 4.05Å; T203-V254 HydrophobicContact CG2-CG2 3.51Å
204T94.3Very high91.4Very high13 Ų1359.5 Ų59.58%0.0830%0.3CS..EExtended strand (participates in β ladder)trans-100.3133.9169.4-56.40000109.5L196 V197 T246 V247 T248L196-T204 HydrophobicContact CD2-CG2 3.7Å; V197-T204 PolarHBondContact N-OG1 2.9Å; V197-T204 PolarHBondContact O-N 3.36Å; V197-T204 VanDerWaalsContact O-N 3.08Å; V197-T204 PolarHBondContact O-OG1 2.85Å; T204-T246 HydrophobicContact CG2-CG2 3.88Å; T204-V247 CarbonylContact C-O 3.59Å; T204-V247 VanDerWaalsContact CA-O 3.28Å; T204-V247 WeakPolarHBondContact CA-O 3.43Å; T204-T248 PolarHBondContact OG1-OG1 3.37Å
205L93.9Very high92Very high16 Ų1657.6 Ų57.68%0.08429%0.289CS..EExtended strand (participates in β ladder)trans-107.9151.7172.6-58.9174.3000109.7T246 V247 L249 V254 F257 V268L205-T246 CarbonylContact O-C 3.52Å; L205-T246 WeakPolarHBondContact O-CA 3.42Å; L205-V247 HydrophobicContact CB-CG1 3.95Å; L205-V247 PolarHBondContact N-O 3.42Å; L205-V247 PolarHBondContact O-N 3.1Å; L205-L249 HydrophobicContact CB-CD2 4.44Å; L205-L249 HydrophobicContact CD1-CD1 4.29Å; L205-L249 HydrophobicContact CD1-CD2 3.58Å; L205-L249 HydrophobicContact CG-CD2 3.7Å; L205-V254 HydrophobicContact CD1-CG1 4.24Å; L205-V254 HydrophobicContact CD1-CG2 4.49Å; L205-V254 HydrophobicContact CD2-CG1 4.34Å; L205-F257 HydrophobicContact CD1-CD1 3.91Å; L205-F257 HydrophobicContact CD1-CE1 4.4Å; L205-V268 HydrophobicContact CB-CG1 4.06Å; L205-V268 HydrophobicContact CD1-CG1 4.07Å; L205-V268 HydrophobicContact CG-CG1 4.44Å
206L94.1Very high92.6Very high3 Ų363.6 Ų63.62%0.01631%0.31CS..EExtended strand (participates in β ladder)trans-98.5135.1169.7-60-177000109.3L187 L191 L196 I244 F245 T246 V268 R269 Y271L187-L206 HydrophobicContact CD1-CD1 3.46Å; L187-L206 VanDerWaalsContact CD1-CD1 3.46Å; L191-L206 HydrophobicContact CD1-CD2 4.29Å; L191-L206 HydrophobicContact CD2-CD1 4.08Å; L196-L206 HydrophobicContact CD2-CD2 4.2Å; L206-I244 HydrophobicContact CB-CG2 4.08Å; L206-I244 HydrophobicContact CD2-CG2 4.31Å; L206-F245 CarbonylContact C-O 3.55Å; L206-F245 WeakPolarHBondContact CA-O 3.21Å; L206-T246 HydrophobicContact CD2-CG2 3.69Å; L206-V268 CarbonylContact O-C 3.32Å; L206-V268 WeakPolarHBondContact O-CA 3.48Å; L206-R269 HydrophobicContact CB-CB 4.32Å; L206-R269 PolarHBondContact O-N 3.33Å; L206-Y271 HydrophobicContact CD1-CD1 4.2Å; L206-Y271 HydrophobicContact CD1-CD2 4.05Å; L206-Y271 HydrophobicContact CD1-CG 3.65Å
207V94.9Very high93.1Very high0 Ų062.4 Ų62.40%030%0.304CS..EExtended strand (participates in β ladder)trans-129.2123-177.8-172.20000109.4V209 W217 I244 F245 V247 F257 F266 I267 V268V207-V209 HydrophobicContact CG1-CG2 4.06Å; V207-W217 HydrophobicContact CB-CH2 3.75Å; V207-W217 HydrophobicContact CB-CZ2 4.09Å; V207-W217 HydrophobicContact CB-CZ3 4.27Å; V207-W217 HydrophobicContact CG1-CE3 4.36Å; V207-W217 HydrophobicContact CG1-CH2 3.76Å; V207-W217 HydrophobicContact CG1-CZ2 4.41Å; V207-W217 HydrophobicContact CG1-CZ3 3.74Å; V207-W217 HydrophobicContact CG2-CH2 3.62Å; V207-W217 HydrophobicContact CG2-CZ2 4.18Å; V207-W217 HydrophobicContact CG2-CZ3 4.36Å; V207-I244 WeakPolarHBondContact O-CA 3.32Å; V207-F245 PolarHBondContact N-O 3.5Å; V207-F245 PolarHBondContact O-N 3.07Å; V207-V247 HydrophobicContact CG2-CG1 3.85Å; V207-F257 HydrophobicContact CG2-CE1 4.29Å; V207-F266 HydrophobicContact CG1-CB 3.78Å; V207-I267 CarbonylContact C-O 3.56Å; V207-I267 WeakPolarHBondContact CA-O 3.41Å; V207-V268 HydrophobicContact CG2-CG2 4.18Å
208V94.6Very high93.6Very high12 Ų1264.7 Ų64.77%0.07331%0.31CS..EExtended strand (participates in β ladder)trans-86.5122.9174.1-173.40000108.6L182 Q183 I244 I267 R269L182-V208 HydrophobicContact CB-CG1 3.74Å; L182-V208 HydrophobicContact CB-CG2 4.46Å; L182-V208 HydrophobicContact CD1-CG1 3.85Å; L182-V208 HydrophobicContact CG-CG1 4.46Å; Q183-V208 VanDerWaalsContact NE2-CB 3.27Å; Q183-V208 VanDerWaalsContact NE2-CG1 3.34Å; V208-I244 HydrophobicContact CG2-CG1 4.35Å; V208-I267 HydrophobicContact CB-CB 4.4Å; V208-I267 PolarHBondContact N-O 3.34Å; V208-I267 PolarHBondContact O-N 2.74Å; V208-R269 HydrophobicContact CG2-CB 4.34Å
209V95.3Very high94.1Very high0 Ų067.3 Ų67.30%031%0.313CS..EExtended strand (participates in β ladder)trans-123.5129.2-177.2-1730000108.4V207 K213 Y214 W217 G242 G243 F245 F266V207-V209 HydrophobicContact CG1-CG2 4.06Å; V209-K213 HydrophobicContact CG1-CB 4.02Å; V209-Y214 HydrophobicContact CB-CD1 4.21Å; V209-Y214 HydrophobicContact CB-CE1 4.29Å; V209-Y214 HydrophobicContact CG1-CD1 3.83Å; V209-Y214 HydrophobicContact CG1-CE1 4.35Å; V209-Y214 WeakPolarHBondContact O-CE1 3.31Å; V209-W217 HydrophobicContact CG1-CB 3.96Å; V209-W217 HydrophobicContact CG1-CG 4.45Å; V209-W217 HydrophobicContact CG2-CB 4.29Å; V209-W217 HydrophobicContact CG2-CD2 3.88Å; V209-W217 HydrophobicContact CG2-CE3 4.14Å; V209-W217 HydrophobicContact CG2-CG 3.94Å; V209-G242 CarbonylContact O-C 3.51Å; V209-G242 VanDerWaalsContact O-CA 3.28Å; V209-G242 WeakPolarHBondContact O-CA 3.39Å; V209-G243 PolarHBondContact N-O 2.88Å; V209-G243 PolarHBondContact O-N 3.41Å; V209-F245 HydrophobicContact CB-CD2 3.9Å; V209-F245 HydrophobicContact CB-CE2 3.88Å; V209-F245 HydrophobicContact CG2-CD2 3.66Å; V209-F245 HydrophobicContact CG2-CE2 4.13Å; V209-F245 HydrophobicContact CG2-CG 4.44Å; V209-F266 HydrophobicContact CG1-CD1 3.99Å; V209-F266 HydrophobicContact CG1-CE1 3.85Å; V209-F266 HydrophobicContact CG2-CD1 4.13Å
210S94.5Very high94.4Very high53 Ų5366.1 Ų66.137%0.37131%0.305SS..EExtended strand (participates in β ladder)trans-65.3145.2172.2-47.90000110.5E212 K213 Y214S210-E212 PolarHBondContact O-N 2.83Å; S210-E212 VanDerWaalsContact O-N 3.13Å; S210-K213 PolarHBondContact O-N 3.5Å; S210-Y214 WeakPolarHBondContact O-CD1 3.46Å
211R94Very high94.7Very high122 Ų12259.8 Ų59.846%0.4628%0.275SS..G310 helixtrans-52.8-39.7-176.7-178173.9-88.7158.7-1.2113.6K213 Y214 E238 D239 G240 D241R211-K213 PolarHBondContact O-N 3.23Å; R211-K213 VanDerWaalsContact O-N 3.11Å; R211-Y214 HydrophobicContact CB-CE2 4.48Å; R211-Y214 HydrophobicContact CG-CE2 4.18Å; R211-Y214 PolarHBondContact O-N 3.41Å; R211-E238 IonicContact CZ-OE1 3.96Å; R211-E238 IonicContact NE-OE1 2.8Å; R211-E238 PolarHBondContact NE-OE1 2.92Å; R211-E238 IonicContact NH2-OE1 3.05Å; R211-E238 PolarHBondContact NH2-OE1 3.27Å; R211-D239 PolarHBondContact NH2-O 3.49Å; R211-G240 PolarHBondContact NH1-O 2.96Å; R211-D241 PolarHBondContact N-O 3.31Å
212E94.1Very high94.9Very high185 Ų18557.3 Ų57.386%0.86427%0.268SS*.G310 helixtrans-60.4-21.4178-60.3176.8179.300114.1S210S210-E212 PolarHBondContact O-N 2.83Å; S210-E212 VanDerWaalsContact O-N 3.13Å
213K95.1Very high94.9Very high48 Ų4859.6 Ų59.621%0.20929%0.287CS..G310 helixtrans-108.66.1-172.5-59177.7-170.8153.30113.8V209 S210 R211 L215 R216 W217 K265 F266V209-K213 HydrophobicContact CG1-CB 4.02Å; S210-K213 PolarHBondContact O-N 3.5Å; R211-K213 PolarHBondContact O-N 3.23Å; R211-K213 VanDerWaalsContact O-N 3.11Å; K213-L215 PolarHBondContact O-N 2.97Å; K213-R216 WeakPolarHBondContact O-CB 3.35Å; K213-R216 PolarHBondContact O-N 3.42Å; K213-R216 VanDerWaalsContact O-N 3.11Å; K213-W217 PolarHBondContact O-N 3.12Å; K213-K265 VanDerWaalsContact NZ-CB 3.32Å; K213-K265 PolarHBondContact NZ-O 3.2Å; K213-F266 HydrophobicContact CB-CE1 4.02Å; K213-F266 HydrophobicContact CD-CE1 4.25Å
214Y95.6Very high94.9Very high33 Ų3358.9 Ų58.913%0.12928%0.283CS..Hα-helixtrans-55.8-48.6-179.8-72.3-3.2000112.7V209 S210 R211 R216 W217 E218 E238 G242 G243 F245V209-Y214 HydrophobicContact CB-CD1 4.21Å; V209-Y214 HydrophobicContact CB-CE1 4.29Å; V209-Y214 HydrophobicContact CG1-CD1 3.83Å; V209-Y214 HydrophobicContact CG1-CE1 4.35Å; V209-Y214 WeakPolarHBondContact O-CE1 3.31Å; S210-Y214 WeakPolarHBondContact O-CD1 3.46Å; R211-Y214 HydrophobicContact CB-CE2 4.48Å; R211-Y214 HydrophobicContact CG-CE2 4.18Å; R211-Y214 PolarHBondContact O-N 3.41Å; Y214-R216 PolarHBondContact O-N 2.95Å; Y214-W217 WeakPolarHBondContact O-CB 3.44Å; Y214-W217 PolarHBondContact O-N 2.94Å; Y214-W217 VanDerWaalsContact O-N 3.15Å; Y214-E218 PolarHBondContact O-N 2.86Å; Y214-E238 WeakPolarHBondContact CE2-OE1 3.43Å; Y214-E238 PolarHBondContact OH-OE1 3.48Å; Y214-G242 WeakPolarHBondContact OH-CA 3.31Å; Y214-G242 PolarHBondContact OH-O 3Å; Y214-G243 WeakPolarHBondContact OH-CA 3.43Å; Y214-G243 PolarHBondContact OH-N 3.43Å; Y214-F245 AromaticContact CD1-CE2 3.74Å; Y214-F245 HydrophobicContact CD1-CE2 3.74Å; Y214-F245 AromaticContact CD1-CZ 3.78Å; Y214-F245 HydrophobicContact CD1-CZ 3.78Å; Y214-F245 HydrophobicContact CD2-CZ 4.41Å; Y214-F245 AromaticContact CE1-CE2 3.57Å; Y214-F245 HydrophobicContact CE1-CE2 3.57Å; Y214-F245 AromaticContact CE1-CZ 3.89Å; Y214-F245 HydrophobicContact CE1-CZ 3.89Å; Y214-F245 HydrophobicContact CG-CE2 4.47Å; Y214-F245 HydrophobicContact CG-CZ 4.05Å
215L95Very high94.9Very high108 Ų10858.7 Ų58.757%0.56528%0.282SS*.Hα-helixtrans-63.4-33.8179.7-170.568.6000112.1K213 K219K213-L215 PolarHBondContact O-N 2.97Å; L215-K219 HydrophobicContact CG-CD 4.39Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.27Å
216R95.2Very high94.8Very high150 Ų15064.9 Ų64.957%0.56631%0.31SS*.Hα-helixtrans-68-47175.4-176.3177.5178.5161.6-0.8110.2K213 Y214 K219 S220 F266K213-R216 WeakPolarHBondContact O-CB 3.35Å; K213-R216 PolarHBondContact O-N 3.42Å; K213-R216 VanDerWaalsContact O-N 3.11Å; Y214-R216 PolarHBondContact O-N 2.95Å; R216-K219 PolarHBondContact O-N 2.88Å; R216-S220 WeakPolarHBondContact O-CB 3.42Å; R216-S220 PolarHBondContact O-N 3.47Å; R216-S220 PolarHBondContact O-OG 2.95Å; R216-F266 HydrophobicContact CG-CZ 4.36Å
217W96.8Very high94.9Very high0 Ų069.7 Ų69.70%033%0.331CS..Hα-helixtrans-54.2-54.4177171.3-103.3000111.5V207 V209 K213 Y214 K219 S220 Y221 L224 S233 F245 V247 F257 F266V207-W217 HydrophobicContact CB-CH2 3.75Å; V207-W217 HydrophobicContact CB-CZ2 4.09Å; V207-W217 HydrophobicContact CB-CZ3 4.27Å; V207-W217 HydrophobicContact CG1-CE3 4.36Å; V207-W217 HydrophobicContact CG1-CH2 3.76Å; V207-W217 HydrophobicContact CG1-CZ2 4.41Å; V207-W217 HydrophobicContact CG1-CZ3 3.74Å; V207-W217 HydrophobicContact CG2-CH2 3.62Å; V207-W217 HydrophobicContact CG2-CZ2 4.18Å; V207-W217 HydrophobicContact CG2-CZ3 4.36Å; V209-W217 HydrophobicContact CG1-CB 3.96Å; V209-W217 HydrophobicContact CG1-CG 4.45Å; V209-W217 HydrophobicContact CG2-CB 4.29Å; V209-W217 HydrophobicContact CG2-CD2 3.88Å; V209-W217 HydrophobicContact CG2-CE3 4.14Å; V209-W217 HydrophobicContact CG2-CG 3.94Å; K213-W217 PolarHBondContact O-N 3.12Å; Y214-W217 WeakPolarHBondContact O-CB 3.44Å; Y214-W217 PolarHBondContact O-N 2.94Å; Y214-W217 VanDerWaalsContact O-N 3.15Å; W217-K219 PolarHBondContact O-N 2.82Å; W217-S220 PolarHBondContact O-N 3.38Å; W217-S220 VanDerWaalsContact O-N 3.1Å; W217-Y221 HydrophobicContact CZ2-CD2 4.41Å; W217-Y221 HydrophobicContact CZ2-CG 4.22Å; W217-Y221 WeakPolarHBondContact O-CB 3.26Å; W217-Y221 WeakPolarHBondContact O-CD1 3.48Å; W217-Y221 PolarHBondContact O-N 2.92Å; W217-L224 HydrophobicContact CZ3-CD1 3.94Å; W217-S233 PolarHBondContact NE1-OG 2.94Å; W217-F245 AromaticContact CD1-CD1 3.78Å; W217-F245 AromaticContact CD1-CG 3.93Å; W217-F245 HydrophobicContact CZ2-CB 4.26Å; W217-F245 AromaticContact NE1-CD1 3.65Å; W217-F245 AromaticContact NE1-CG 3.62Å; W217-V247 HydrophobicContact CH2-CB 4.44Å; W217-V247 HydrophobicContact CH2-CG1 4.33Å; W217-V247 HydrophobicContact CZ2-CB 4.23Å; W217-F257 HydrophobicContact CH2-CE1 4.45Å; W217-F257 AromaticContact CH2-CZ 3.87Å; W217-F257 HydrophobicContact CH2-CZ 3.87Å; W217-F257 HydrophobicContact CZ3-CZ 4.3Å; W217-F266 HydrophobicContact CB-CE1 4.14Å; W217-F266 HydrophobicContact CB-CZ 4.09Å; W217-F266 HydrophobicContact CE3-CD1 4.18Å; W217-F266 AromaticContact CE3-CD2 3.68Å; W217-F266 HydrophobicContact CE3-CD2 3.68Å; W217-F266 HydrophobicContact CE3-CE1 4.23Å; W217-F266 AromaticContact CE3-CE2 3.74Å; W217-F266 HydrophobicContact CE3-CE2 3.74Å; W217-F266 AromaticContact CE3-CG 3.91Å; W217-F266 HydrophobicContact CE3-CG 3.91Å; W217-F266 HydrophobicContact CE3-CZ 4.02Å; W217-F266 HydrophobicContact CZ3-CB 4.47Å; W217-F266 AromaticContact CZ3-CD2 3.89Å; W217-F266 HydrophobicContact CZ3-CD2 3.89Å; W217-F266 HydrophobicContact CZ3-CE2 4.32Å; W217-F266 HydrophobicContact CZ3-CG 4.18Å
218E94.6Very high95Very high114 Ų11470.5 Ų70.553%0.53334%0.336SS..Hα-helixtrans-57.5-36.3-178.7-72.1178.8176.900113Y214Y214-E218 PolarHBondContact O-N 2.86Å
219K94.9Very high95.1Very high160 Ų16072.2 Ų72.270%0.69635%0.346SS*.Hα-helixtrans-81.1-25179.4-70178.5-178.8-178.50114L215 R216 W217L215-K219 HydrophobicContact CG-CD 4.39Å; L215-K219 WeakPolarHBondContact O-CG 3.29Å; L215-K219 PolarHBondContact O-N 3.27Å; R216-K219 PolarHBondContact O-N 2.88Å; W217-K219 PolarHBondContact O-N 2.82Å
220S95.3Very high95Very high25 Ų2576 Ų7618%0.17537%0.372CS..Hα-helixtrans-114.4-19.6-168.274.20000115.1R216 W217 E222 S223 L224R216-S220 WeakPolarHBondContact O-CB 3.42Å; R216-S220 PolarHBondContact O-N 3.47Å; R216-S220 PolarHBondContact O-OG 2.95Å; W217-S220 PolarHBondContact O-N 3.38Å; W217-S220 VanDerWaalsContact O-N 3.1Å; S220-E222 VanDerWaalsContact C-N 3.26Å; S220-E222 PolarHBondContact O-N 3.36Å; S220-S223 PolarHBondContact O-N 2.95Å; S220-S223 VanDerWaalsContact O-N 3.1Å; S220-S223 PolarHBondContact O-OG 3.03Å; S220-S223 VanDerWaalsContact O-OG 3.08Å; S220-L224 WeakPolarHBondContact O-CG 3.45Å; S220-L224 PolarHBondContact O-N 3.3Å
221Y96.4Very high95Very high11 Ų1184.5 Ų84.54%0.04340%0.395CS..G310 helixtrans-61.1-34.9-17083.5-79.8000113.1W217 S223 L224 V228 R231 S232 S233 V247W217-Y221 HydrophobicContact CZ2-CD2 4.41Å; W217-Y221 HydrophobicContact CZ2-CG 4.22Å; W217-Y221 WeakPolarHBondContact O-CB 3.26Å; W217-Y221 WeakPolarHBondContact O-CD1 3.48Å; W217-Y221 PolarHBondContact O-N 2.92Å; Y221-S223 VanDerWaalsContact C-N 3.26Å; Y221-S223 PolarHBondContact O-N 3.33Å; Y221-L224 PolarHBondContact O-N 3.38Å; Y221-V228 HydrophobicContact CD2-CG1 4.21Å; Y221-V228 HydrophobicContact CE2-CG1 4.25Å; Y221-R231 WeakPolarHBondContact OH-CA 3.3Å; Y221-R231 PolarHBondContact OH-N 3.34Å; Y221-S232 PolarHBondContact OH-N 3.25Å; Y221-S233 VanDerWaalsContact CE2-CB 3.49Å; Y221-V247 HydrophobicContact CD2-CB 4.44Å; Y221-V247 HydrophobicContact CD2-CG2 3.68Å; Y221-V247 HydrophobicContact CE2-CG2 4.04Å
222E96.3Very high95Very high81 Ų8179.9 Ų79.938%0.37938%0.382SS..G310 helixtrans-66.4-25.6179.7-56.8-173.1165.300113.1S220 P230 R231S220-E222 VanDerWaalsContact C-N 3.26Å; S220-E222 PolarHBondContact O-N 3.36Å; E222-P230 WeakPolarHBondContact OE1-CA 3.4Å; E222-R231 PolarHBondContact OE1-N 3.47Å
223S94.9Very high95.1Very high90 Ų9072.5 Ų72.563%0.62935%0.351SS*.G310 helixtrans-103.81.1-178.359.90000113.7S220 Y221 S225S220-S223 PolarHBondContact O-N 2.95Å; S220-S223 VanDerWaalsContact O-N 3.1Å; S220-S223 PolarHBondContact O-OG 3.03Å; S220-S223 VanDerWaalsContact O-OG 3.08Å; Y221-S223 VanDerWaalsContact C-N 3.26Å; Y221-S223 PolarHBondContact O-N 3.33Å; S223-S225 VanDerWaalsContact C-N 3.31Å; S223-S225 PolarHBondContact O-N 2.84Å
224L93.6Very high95Very high12 Ų1276.1 Ų76.16%0.06336%0.363CS..SBendtrans-62-38.9176.6-71.3176.5000111.5W217 S220 Y221 F257 K260 A261 F266W217-L224 HydrophobicContact CZ3-CD1 3.94Å; S220-L224 WeakPolarHBondContact O-CG 3.45Å; S220-L224 PolarHBondContact O-N 3.3Å; Y221-L224 PolarHBondContact O-N 3.38Å; L224-F257 HydrophobicContact CB-CD2 3.96Å; L224-F257 HydrophobicContact CB-CE2 3.77Å; L224-F257 HydrophobicContact CD1-CE2 3.8Å; L224-F257 HydrophobicContact CD1-CZ 3.86Å; L224-F257 HydrophobicContact CG-CE2 4.39Å; L224-K260 HydrophobicContact CB-CB 4.38Å; L224-K260 HydrophobicContact CD2-CB 4.37Å; L224-K260 WeakPolarHBondContact O-CD 3.48Å; L224-K260 WeakPolarHBondContact O-CE 3.33Å; L224-K260 WeakPolarHBondContact O-CG 3.32Å; L224-K260 PolarHBondContact O-NZ 3.25Å; L224-A261 HydrophobicContact CD1-CB 4.48Å; L224-F266 HydrophobicContact CD1-CD2 4.27Å; L224-F266 HydrophobicContact CD1-CE2 4.48Å
225S94.3Very high94.9Very high9 Ų979.2 Ų79.26%0.06338%0.377CS..SBendtrans-145.2158.4172.172.50000111.6S223 V228S223-S225 VanDerWaalsContact C-N 3.31Å; S223-S225 PolarHBondContact O-N 2.84Å; S225-V228 WeakPolarHBondContact O-CG2 3.28Å; S225-V228 WeakPolarHBondContact OG-CG2 3.41Å
226E92.6Very high94.7Very high146 Ų14675 Ų7568%0.68236%0.355SS*.THydrogen-bonded Turntrans-60.3152.9164-66.9175.917600110.1V228 A253E226-V228 VanDerWaalsContact C-N 3.34Å; E226-V228 PolarHBondContact O-N 2.89Å; E226-A253 VanDerWaalsContact O-CB 3.26Å; E226-A253 WeakPolarHBondContact O-CB 3.4Å
227F95.8Very high94.5Very high105 Ų10569.6 Ų69.646%0.46134%0.336SS..THydrogen-bonded Turntrans65.827.1179.5-47.8-80.3000115.5L249 F250 A253F227-L249 WeakPolarHBondContact O-CA 3.41Å; F227-L249 WeakPolarHBondContact O-CB 3.33Å; F227-F250 HydrophobicContact CB-CB 3.78Å; F227-F250 HydrophobicContact CB-CD2 3.69Å; F227-F250 HydrophobicContact CB-CG 3.94Å; F227-F250 HydrophobicContact CD1-CD2 4.39Å; F227-F250 WeakPolarHBondContact O-CD2 3.47Å; F227-F250 PolarHBondContact O-N 3.31Å; F227-A253 HydrophobicContact CB-CB 4.08Å
228V96.6Very high94.2Very high17 Ų1772.7 Ų72.710%0.10335%0.35CS..BIsolated β-bridgetrans-81.7137.3161.7178.30000108.8Y221 S225 E226 P230 V247 L249 F257Y221-V228 HydrophobicContact CD2-CG1 4.21Å; Y221-V228 HydrophobicContact CE2-CG1 4.25Å; S225-V228 WeakPolarHBondContact O-CG2 3.28Å; S225-V228 WeakPolarHBondContact OG-CG2 3.41Å; E226-V228 VanDerWaalsContact C-N 3.34Å; E226-V228 PolarHBondContact O-N 2.89Å; V228-P230 WeakPolarHBondContact O-CD 3.44Å; V228-V247 HydrophobicContact CG1-CG2 3.89Å; V228-L249 HydrophobicContact CG2-CB 4.25Å; V228-F257 HydrophobicContact CG2-CD2 3.7Å; V228-F257 HydrophobicContact CG2-CE2 3.84Å
229V95.9Very high93.9Very high47 Ų4769.5 Ų69.529%0.28534%0.337SS..PPolyproline II helixtrans-79.5118.7176.3-178.40000108.5L202 S232 T248L202-V229 HydrophobicContact CD2-CG2 4.16Å; V229-S232 WeakPolarHBondContact O-CB 3.33Å; V229-S232 PolarHBondContact O-N 2.94Å; V229-S232 PolarHBondContact O-OG 3.42Å; V229-T248 WeakPolarHBondContact CB-O 3.43Å; V229-T248 HydrophobicContact CG2-CG2 4.14Å; V229-T248 PolarHBondContact N-O 3.39Å
230P94.6Very high93.4Very high81 Ų8164.5 Ų64.553%0.52633%0.331SS..THydrogen-bonded Turntrans-63.2150.9178.5-22.234.5000112E222 V228 S232E222-P230 WeakPolarHBondContact OE1-CA 3.4Å; V228-P230 WeakPolarHBondContact O-CD 3.44Å; P230-S232 PolarHBondContact O-N 3.03Å; P230-S232 VanDerWaalsContact O-N 3.14Å
231R93.9Very high93Very high230 Ų23069.6 Ų69.687%0.86836%0.356SS*.THydrogen-bonded Turntrans54.723.2-177.1-57.9179.2-72.7179.4-3.7114.5Y221 E222Y221-R231 WeakPolarHBondContact OH-CA 3.3Å; Y221-R231 PolarHBondContact OH-N 3.34Å; E222-R231 PolarHBondContact OE1-N 3.47Å
232S94.3Very high92.8Very high25 Ų2569.1 Ų69.118%0.17536%0.355CS..  trans-91.1-10.5-179.568.30000114.2Y221 V229 P230 T248Y221-S232 PolarHBondContact OH-N 3.25Å; V229-S232 WeakPolarHBondContact O-CB 3.33Å; V229-S232 PolarHBondContact O-N 2.94Å; V229-S232 PolarHBondContact O-OG 3.42Å; P230-S232 PolarHBondContact O-N 3.03Å; P230-S232 VanDerWaalsContact O-N 3.14Å; S232-T248 PolarHBondContact OG-N 2.68Å; S232-T248 PolarHBondContact OG-O 2.86Å
233S95.2Very high92.7Very high31 Ų3165.3 Ų65.322%0.21734%0.337CS..  trans-81.4126-178.3166.40000112.6W217 Y221 T246W217-S233 PolarHBondContact NE1-OG 2.94Å; Y221-S233 VanDerWaalsContact CE2-CB 3.49Å; S233-T246 WeakPolarHBondContact CA-O 3.41Å; S233-T246 VanDerWaalsContact CB-O 3.3Å; S233-T246 WeakPolarHBondContact CB-O 3.48Å; S233-T246 PolarHBondContact OG-O 3.34Å
234R92.6Very high92.6Very high124 Ų12461 Ų6147%0.46831%0.307SS..  trans-131.4137.4175.6-163.6-177.287-160.76.6110.4D195 I236 F245 T246D195-R234 IonicContact OD1-CZ 2.8Å; D195-R234 IonicContact OD1-NH1 2.67Å; D195-R234 PolarHBondContact OD1-NH1 3.22Å; D195-R234 IonicContact OD1-NH2 3.88Å; D195-R234 PolarHBondContact OD1-NH2 2.87Å; D195-R234 IonicContact OD2-NH2 3.5Å; D195-R234 PolarHBondContact OD2-NH2 3.46Å; R234-I236 VanDerWaalsContact NH2-CD1 3.33Å; R234-I236 PolarHBondContact O-N 3.43Å; R234-F245 CarbonylContact O-C 3.49Å; R234-F245 VanDerWaalsContact O-CA 3.26Å; R234-F245 WeakPolarHBondContact O-CA 3.42Å; R234-T246 WeakPolarHBondContact CB-OG1 3.32Å; R234-T246 PolarHBondContact N-OG1 3.29Å; R234-T246 VanDerWaalsContact N-OG1 3.13Å; R234-T246 PolarHBondContact O-N 2.93Å; R234-T246 PolarHBondContact O-OG1 3.06Å
235K93.4Very high92.7Very high97 Ų9760.7 Ų60.742%0.42231%0.305SS..EExtended strand (participates in β ladder)trans-73.5123.9170.8-167.417262.6177.10109.5E238 F245K235-E238 HydrophobicContact CD-CB 4.25Å; K235-E238 IonicContact NZ-OE2 3.3Å; K235-E238 PolarHBondContact NZ-OE2 3.22Å; K235-F245 HydrophobicContact CB-CD1 3.9Å; K235-F245 HydrophobicContact CB-CE1 3.65Å; K235-F245 HydrophobicContact CB-CZ 4.13Å; K235-F245 HydrophobicContact CD-CE1 4.15Å; K235-F245 HydrophobicContact CD-CE2 4.39Å; K235-F245 HydrophobicContact CD-CZ 3.8Å; K235-F245 HydrophobicContact CG-CD1 4.39Å; K235-F245 HydrophobicContact CG-CE1 3.98Å; K235-F245 HydrophobicContact CG-CE2 4.29Å; K235-F245 HydrophobicContact CG-CZ 3.92Å
236I91.4Very high92.7Very high21 Ų2160.5 Ų60.511%0.10830%0.303CS..EExtended strand (participates in β ladder)trans-96.4-45.4-180-57.5-56.5000110.4V190 L191 D195 R234 I244 T246V190-I236 HydrophobicContact CB-CG2 4.27Å; V190-I236 HydrophobicContact CG1-CG2 3.76Å; V190-I236 WeakPolarHBondContact CG1-O 3.32Å; L191-I236 HydrophobicContact CB-CG2 4.43Å; L191-I236 HydrophobicContact CD1-CD1 4.16Å; L191-I236 HydrophobicContact CD1-CG1 4.02Å; L191-I236 HydrophobicContact CD1-CG2 3.84Å; D195-I236 HydrophobicContact CB-CD1 4.48Å; R234-I236 VanDerWaalsContact NH2-CD1 3.33Å; R234-I236 PolarHBondContact O-N 3.43Å; I236-I244 PolarHBondContact N-O 3.38Å; I236-T246 HydrophobicContact CD1-CG2 3.72Å; I236-T246 HydrophobicContact CG1-CG2 3.62Å
237F90.6Very high92.9Very high36 Ų3653.6 Ų53.616%0.15827%0.271CS..EExtended strand (participates in β ladder)trans-142.6150.5-175.2-176.4-105.1000110.1L182 V190 D239 G243 I244L182-F237 HydrophobicContact CD2-CD1 3.54Å; L182-F237 HydrophobicContact CD2-CE1 3.64Å; V190-F237 HydrophobicContact CG1-CB 4.13Å; V190-F237 HydrophobicContact CG1-CD2 4.23Å; V190-F237 HydrophobicContact CG2-CD2 3.85Å; V190-F237 HydrophobicContact CG2-CE2 4.5Å; V190-F237 HydrophobicContact CG2-CG 4.5Å; F237-D239 HydrophobicContact CE1-CB 3.93Å; F237-D239 HydrophobicContact CZ-CB 4.3Å; F237-G243 CarbonylContact O-C 3.32Å; F237-G243 WeakPolarHBondContact O-CA 3.42Å; F237-I244 HydrophobicContact CB-CB 4.45Å; F237-I244 HydrophobicContact CD1-CD1 4.5Å; F237-I244 PolarHBondContact O-N 3.39Å
238E90.7Very high92.9Very high65 Ų6549.2 Ų49.230%0.30425%0.253SS..EExtended strand (participates in β ladder)trans-143138.9174.5175.4166.8-160.400110R211 Y214 K235 G242R211-E238 IonicContact CZ-OE1 3.96Å; R211-E238 IonicContact NE-OE1 2.8Å; R211-E238 PolarHBondContact NE-OE1 2.92Å; R211-E238 IonicContact NH2-OE1 3.05Å; R211-E238 PolarHBondContact NH2-OE1 3.27Å; Y214-E238 WeakPolarHBondContact CE2-OE1 3.43Å; Y214-E238 PolarHBondContact OH-OE1 3.48Å; K235-E238 HydrophobicContact CD-CB 4.25Å; K235-E238 IonicContact NZ-OE2 3.3Å; K235-E238 PolarHBondContact NZ-OE2 3.22Å; E238-G242 WeakPolarHBondContact CA-O 3.36Å
239D88.1Confident92.8Very high46 Ų4648.4 Ų48.425%0.24625%0.248CC..  trans-125.2-158.217169.511.6000111.8L182 R211 F237 D241 G242L182-D239 WeakPolarHBondContact CD1-OD1 3.49Å; L182-D239 HydrophobicContact CD2-CB 4.31Å; L182-D239 WeakPolarHBondContact CD2-OD2 3.11Å; L182-D239 WeakPolarHBondContact CG-OD2 3.41Å; R211-D239 PolarHBondContact NH2-O 3.49Å; F237-D239 HydrophobicContact CE1-CB 3.93Å; F237-D239 HydrophobicContact CZ-CB 4.3Å; D239-D241 PolarHBondContact OD1-N 3.01Å; D239-G242 PolarHBondContact N-O 3.34Å; D239-G242 PolarHBondContact OD1-N 2.91Å
240G85.9Confident92.9Very high56 Ų5649.8 Ų49.858%0.57725%0.25SS*.SBendtrans-68.4-30.9178.500000114.1R211R211-G240 PolarHBondContact NH1-O 2.96Å
241D85.6Confident92.9Very high132 Ų13250.6 Ų50.671%0.70625%0.246SC*.SBendtrans-98.8-28.4-169.4-66.7-24.7000112.3R211 D239R211-D241 PolarHBondContact N-O 3.31Å; D239-D241 PolarHBondContact OD1-N 3.01Å
242G92.8Very high93Very high1 Ų148.9 Ų48.91%0.0124%0.239CC..EExtended strand (participates in β ladder)trans175.1-156.6-178.200000113.8L182 V209 Y214 E238 D239L182-G242 VanDerWaalsContact CD1-C 3.4Å; V209-G242 CarbonylContact O-C 3.51Å; V209-G242 VanDerWaalsContact O-CA 3.28Å; V209-G242 WeakPolarHBondContact O-CA 3.39Å; Y214-G242 WeakPolarHBondContact OH-CA 3.31Å; Y214-G242 PolarHBondContact OH-O 3Å; E238-G242 WeakPolarHBondContact CA-O 3.36Å; D239-G242 PolarHBondContact N-O 3.34Å; D239-G242 PolarHBondContact OD1-N 2.91Å
243G93.5Very high93Very high0 Ų047.9 Ų47.90%023%0.232CC..EExtended strand (participates in β ladder)trans-149156.2-173.100000112.6V209 Y214 F237V209-G243 PolarHBondContact N-O 2.88Å; V209-G243 PolarHBondContact O-N 3.41Å; Y214-G243 WeakPolarHBondContact OH-CA 3.43Å; Y214-G243 PolarHBondContact OH-N 3.43Å; F237-G243 CarbonylContact O-C 3.32Å; F237-G243 WeakPolarHBondContact O-CA 3.42Å
244I94Very high93Very high0 Ų047.6 Ų47.60%023%0.229CC..EExtended strand (participates in β ladder)trans-102.8123.3177.3-55.5-179.6000107.9L182 L187 L206 V207 V208 I236 F237L182-I244 HydrophobicContact CB-CG1 4.49Å; L182-I244 HydrophobicContact CD2-CD1 4.25Å; L182-I244 HydrophobicContact CD2-CG1 4.09Å; L187-I244 HydrophobicContact CD1-CD1 3.92Å; L187-I244 HydrophobicContact CD2-CD1 3.48Å; L187-I244 VanDerWaalsContact CD2-CD1 3.48Å; L187-I244 HydrophobicContact CG-CD1 4.33Å; L206-I244 HydrophobicContact CB-CG2 4.08Å; L206-I244 HydrophobicContact CD2-CG2 4.31Å; V207-I244 WeakPolarHBondContact O-CA 3.32Å; V208-I244 HydrophobicContact CG2-CG1 4.35Å; I236-I244 PolarHBondContact N-O 3.38Å; F237-I244 HydrophobicContact CB-CB 4.45Å; F237-I244 HydrophobicContact CD1-CD1 4.5Å; F237-I244 PolarHBondContact O-N 3.39Å
245F94.8Very high93.1Very high5 Ų546.8 Ų46.82%0.02224%0.241CC..EExtended strand (participates in β ladder)trans-113.3143.1178.6-65.6-102.5000109.9L206 V207 V209 Y214 W217 R234 K235L206-F245 CarbonylContact C-O 3.55Å; L206-F245 WeakPolarHBondContact CA-O 3.21Å; V207-F245 PolarHBondContact N-O 3.5Å; V207-F245 PolarHBondContact O-N 3.07Å; V209-F245 HydrophobicContact CB-CD2 3.9Å; V209-F245 HydrophobicContact CB-CE2 3.88Å; V209-F245 HydrophobicContact CG2-CD2 3.66Å; V209-F245 HydrophobicContact CG2-CE2 4.13Å; V209-F245 HydrophobicContact CG2-CG 4.44Å; Y214-F245 AromaticContact CD1-CE2 3.74Å; Y214-F245 HydrophobicContact CD1-CE2 3.74Å; Y214-F245 AromaticContact CD1-CZ 3.78Å; Y214-F245 HydrophobicContact CD1-CZ 3.78Å; Y214-F245 HydrophobicContact CD2-CZ 4.41Å; Y214-F245 AromaticContact CE1-CE2 3.57Å; Y214-F245 HydrophobicContact CE1-CE2 3.57Å; Y214-F245 AromaticContact CE1-CZ 3.89Å; Y214-F245 HydrophobicContact CE1-CZ 3.89Å; Y214-F245 HydrophobicContact CG-CE2 4.47Å; Y214-F245 HydrophobicContact CG-CZ 4.05Å; W217-F245 AromaticContact CD1-CD1 3.78Å; W217-F245 AromaticContact CD1-CG 3.93Å; W217-F245 HydrophobicContact CZ2-CB 4.26Å; W217-F245 AromaticContact NE1-CD1 3.65Å; W217-F245 AromaticContact NE1-CG 3.62Å; R234-F245 CarbonylContact O-C 3.49Å; R234-F245 VanDerWaalsContact O-CA 3.26Å; R234-F245 WeakPolarHBondContact O-CA 3.42Å; K235-F245 HydrophobicContact CB-CD1 3.9Å; K235-F245 HydrophobicContact CB-CE1 3.65Å; K235-F245 HydrophobicContact CB-CZ 4.13Å; K235-F245 HydrophobicContact CD-CE1 4.15Å; K235-F245 HydrophobicContact CD-CE2 4.39Å; K235-F245 HydrophobicContact CD-CZ 3.8Å; K235-F245 HydrophobicContact CG-CD1 4.39Å; K235-F245 HydrophobicContact CG-CE1 3.98Å; K235-F245 HydrophobicContact CG-CE2 4.29Å; K235-F245 HydrophobicContact CG-CZ 3.92Å
246T94.9Very high93.3Very high6 Ų648.9 Ų48.94%0.03725%0.25CS..EExtended strand (participates in β ladder)trans-81.5157.4165.350.40000110.3T204 L205 L206 S233 R234 I236T204-T246 HydrophobicContact CG2-CG2 3.88Å; L205-T246 CarbonylContact O-C 3.52Å; L205-T246 WeakPolarHBondContact O-CA 3.42Å; L206-T246 HydrophobicContact CD2-CG2 3.69Å; S233-T246 WeakPolarHBondContact CA-O 3.41Å; S233-T246 VanDerWaalsContact CB-O 3.3Å; S233-T246 WeakPolarHBondContact CB-O 3.48Å; S233-T246 PolarHBondContact OG-O 3.34Å; R234-T246 WeakPolarHBondContact CB-OG1 3.32Å; R234-T246 PolarHBondContact N-OG1 3.29Å; R234-T246 VanDerWaalsContact N-OG1 3.13Å; R234-T246 PolarHBondContact O-N 2.93Å; R234-T246 PolarHBondContact O-OG1 3.06Å; I236-T246 HydrophobicContact CD1-CG2 3.72Å; I236-T246 HydrophobicContact CG1-CG2 3.62Å
247V95.7Very high93.6Very high0 Ų047.9 Ų47.90%025%0.245CC..EExtended strand (participates in β ladder)trans-150.2130.1164.357.60000108.7T204 L205 V207 W217 Y221 V228 L249 F257T204-V247 CarbonylContact C-O 3.59Å; T204-V247 VanDerWaalsContact CA-O 3.28Å; T204-V247 WeakPolarHBondContact CA-O 3.43Å; L205-V247 HydrophobicContact CB-CG1 3.95Å; L205-V247 PolarHBondContact N-O 3.42Å; L205-V247 PolarHBondContact O-N 3.1Å; V207-V247 HydrophobicContact CG2-CG1 3.85Å; W217-V247 HydrophobicContact CH2-CB 4.44Å; W217-V247 HydrophobicContact CH2-CG1 4.33Å; W217-V247 HydrophobicContact CZ2-CB 4.23Å; Y221-V247 HydrophobicContact CD2-CB 4.44Å; Y221-V247 HydrophobicContact CD2-CG2 3.68Å; Y221-V247 HydrophobicContact CE2-CG2 4.04Å; V228-V247 HydrophobicContact CG1-CG2 3.89Å; V247-L249 HydrophobicContact CG1-CD2 4.46Å; V247-F257 HydrophobicContact CB-CZ 4.45Å; V247-F257 HydrophobicContact CG1-CE1 3.81Å; V247-F257 HydrophobicContact CG1-CZ 3.78Å; V247-F257 HydrophobicContact CG2-CE2 4.34Å; V247-F257 HydrophobicContact CG2-CZ 4.08Å
248T95.4Very high93.8Very high13 Ų1349.1 Ų49.18%0.0825%0.251CS..EExtended strand (participates in β ladder)trans-101.9133.2178.4-55.90000110V197 L202 T203 T204 V229 S232V197-T248 HydrophobicContact CB-CG2 4.05Å; V197-T248 HydrophobicContact CG1-CG2 4.36Å; L202-T248 HydrophobicContact CB-CG2 4.33Å; T203-T248 WeakPolarHBondContact O-CA 3.39Å; T204-T248 PolarHBondContact OG1-OG1 3.37Å; V229-T248 WeakPolarHBondContact CB-O 3.43Å; V229-T248 HydrophobicContact CG2-CG2 4.14Å; V229-T248 PolarHBondContact N-O 3.39Å; S232-T248 PolarHBondContact OG-N 2.68Å; S232-T248 PolarHBondContact OG-O 2.86Å
249L96.4Very high94.1Very high0 Ų048.2 Ų48.20%025%0.254CS..EExtended strand (participates in β ladder)trans-152.2168.1-177.868.8163.4000110.7L202 T203 L205 F227 V228 V247 A253 V254 F257L202-L249 WeakPolarHBondContact CA-O 3.37Å; T203-L249 HydrophobicContact CG2-CD2 4.41Å; T203-L249 PolarHBondContact N-O 3.02Å; T203-L249 PolarHBondContact O-N 3.02Å; T203-L249 VanDerWaalsContact O-O 3.11Å; L205-L249 HydrophobicContact CB-CD2 4.44Å; L205-L249 HydrophobicContact CD1-CD1 4.29Å; L205-L249 HydrophobicContact CD1-CD2 3.58Å; L205-L249 HydrophobicContact CG-CD2 3.7Å; F227-L249 WeakPolarHBondContact O-CA 3.41Å; F227-L249 WeakPolarHBondContact O-CB 3.33Å; V228-L249 HydrophobicContact CG2-CB 4.25Å; V247-L249 HydrophobicContact CG1-CD2 4.46Å; L249-A253 HydrophobicContact CD1-CB 4.23Å; L249-V254 HydrophobicContact CD1-CG2 4.33Å; L249-V254 HydrophobicContact CG-CG2 4.42Å; L249-F257 HydrophobicContact CD1-CB 3.55Å; L249-F257 HydrophobicContact CD1-CD1 4.33Å; L249-F257 HydrophobicContact CD1-CD2 4.11Å; L249-F257 HydrophobicContact CD1-CG 3.74Å
250F96.2Very high94.5Very high77 Ų7750.4 Ų50.434%0.33826%0.262SS..EExtended strand (participates in β ladder)trans-71.7139.8174.3-75.1-109.6000111.1Y201 L202 F227 R252 A253Y201-F250 CarbonylContact O-C 3.51Å; Y201-F250 VanDerWaalsContact O-CA 3.3Å; Y201-F250 WeakPolarHBondContact O-CA 3.36Å; L202-F250 HydrophobicContact CD2-CD1 4.19Å; L202-F250 HydrophobicContact CD2-CD2 3.57Å; L202-F250 HydrophobicContact CD2-CE1 4.27Å; L202-F250 HydrophobicContact CD2-CE2 3.68Å; L202-F250 HydrophobicContact CD2-CG 3.87Å; L202-F250 HydrophobicContact CD2-CZ 4.03Å; F227-F250 HydrophobicContact CB-CB 3.78Å; F227-F250 HydrophobicContact CB-CD2 3.69Å; F227-F250 HydrophobicContact CB-CG 3.94Å; F227-F250 HydrophobicContact CD1-CD2 4.39Å; F227-F250 WeakPolarHBondContact O-CD2 3.47Å; F227-F250 PolarHBondContact O-N 3.31Å; F250-R252 HydrophobicContact CB-CG 4.13Å; F250-R252 PolarHBondContact O-N 3.05Å; F250-R252 VanDerWaalsContact O-N 3.12Å; F250-A253 WeakPolarHBondContact O-CB 3.48Å; F250-A253 PolarHBondContact O-N 3.14Å
251K95.1Very high95Very high97 Ų9747.7 Ų47.742%0.42223%0.234SC..G310 helixtrans-53.2-37.4-179.9-71.6-176.7-175.6168.20113.2S199 E200 Y201 T203 A253 V254S199-K251 WeakPolarHBondContact O-CE 3.27Å; S199-K251 PolarHBondContact O-NZ 3.12Å; E200-K251 WeakPolarHBondContact O-CD 3.3Å; E200-K251 PolarHBondContact O-NZ 3.32Å; E200-K251 VanDerWaalsContact O-NZ 3.1Å; Y201-K251 PolarHBondContact O-N 2.83Å; T203-K251 HydrophobicContact CG2-CG 4.05Å; K251-A253 PolarHBondContact O-N 3.28Å; K251-V254 WeakPolarHBondContact O-CB 3.41Å; K251-V254 WeakPolarHBondContact O-CG2 3.33Å; K251-V254 PolarHBondContact O-N 2.97Å
252R95.4Very high95.4Very high194 Ų19448.6 Ų48.673%0.73223%0.234SC*.G310 helixtrans-63.5-20.2177.565.1173.357.4-174.8-3114.4F250F250-R252 HydrophobicContact CB-CG 4.13Å; F250-R252 PolarHBondContact O-N 3.05Å; F250-R252 VanDerWaalsContact O-N 3.12Å
253A95.7Very high95.5Very high4 Ų455.7 Ų55.73%0.03327%0.267CS..G310 helixtrans-95.9-8.2-178.900000113.4E226 F227 L249 F250 K251 C255 K256 F257E226-A253 VanDerWaalsContact O-CB 3.26Å; E226-A253 WeakPolarHBondContact O-CB 3.4Å; F227-A253 HydrophobicContact CB-CB 4.08Å; L249-A253 HydrophobicContact CD1-CB 4.23Å; F250-A253 WeakPolarHBondContact O-CB 3.48Å; F250-A253 PolarHBondContact O-N 3.14Å; K251-A253 PolarHBondContact O-N 3.28Å; A253-C255 PolarHBondContact O-N 3.03Å; A253-K256 PolarHBondContact O-N 3.28Å; A253-F257 WeakPolarHBondContact O-CB 3.27Å; A253-F257 PolarHBondContact O-N 3.46Å
254V95.1Very high95.5Very high26 Ų2656.8 Ų56.816%0.15828%0.275CS..Hα-helixtrans-54.8-48.8-1741710000112.7T203 L205 L249 K251 K256 F257 K258T203-V254 HydrophobicContact CG2-CG2 3.51Å; L205-V254 HydrophobicContact CD1-CG1 4.24Å; L205-V254 HydrophobicContact CD1-CG2 4.49Å; L205-V254 HydrophobicContact CD2-CG1 4.34Å; L249-V254 HydrophobicContact CD1-CG2 4.33Å; L249-V254 HydrophobicContact CG-CG2 4.42Å; K251-V254 WeakPolarHBondContact O-CB 3.41Å; K251-V254 WeakPolarHBondContact O-CG2 3.33Å; K251-V254 PolarHBondContact O-N 2.97Å; V254-K256 PolarHBondContact O-N 3.1Å; V254-F257 PolarHBondContact O-N 3.06Å; V254-K258 HydrophobicContact CG1-CD 4.25Å; V254-K258 HydrophobicContact CG1-CG 4.43Å; V254-K258 WeakPolarHBondContact O-CB 3.26Å; V254-K258 WeakPolarHBondContact O-CG 3.44Å; V254-K258 PolarHBondContact O-N 2.8Å
255C95.2Very high95.4Very high106 Ų10664.1 Ų64.172%0.71631%0.306SS*.Hα-helixtrans-62.3-44-178.8-62.30000112A253 K258 A259A253-C255 PolarHBondContact O-N 3.03Å; C255-K258 PolarHBondContact O-N 3.22Å; C255-A259 PolarHBondContact O-N 3.34Å
256K96.5Very high95.5Very high141 Ų14164 Ų6461%0.61331%0.306SS*.Hα-helixtrans-65.4-42.1177.7-69-176.9178.8-179.20111.3A253 V254 A259 K260A253-K256 PolarHBondContact O-N 3.28Å; V254-K256 PolarHBondContact O-N 3.1Å; K256-A259 PolarHBondContact O-N 2.9Å; K256-K260 WeakPolarHBondContact O-CG 3.36Å; K256-K260 PolarHBondContact O-N 3.05Å; K256-K260 VanDerWaalsContact O-N 3.14Å
257F97.2Very high95.4Very high0 Ų068 Ų680%033%0.326CS..Hα-helixtrans-62.2-48.1177.5-174.2-90.6000111.7L205 V207 W217 L224 V228 V247 L249 A253 V254 A259 K260 A261 V268L205-F257 HydrophobicContact CD1-CD1 3.91Å; L205-F257 HydrophobicContact CD1-CE1 4.4Å; V207-F257 HydrophobicContact CG2-CE1 4.29Å; W217-F257 HydrophobicContact CH2-CE1 4.45Å; W217-F257 AromaticContact CH2-CZ 3.87Å; W217-F257 HydrophobicContact CH2-CZ 3.87Å; W217-F257 HydrophobicContact CZ3-CZ 4.3Å; L224-F257 HydrophobicContact CB-CD2 3.96Å; L224-F257 HydrophobicContact CB-CE2 3.77Å; L224-F257 HydrophobicContact CD1-CE2 3.8Å; L224-F257 HydrophobicContact CD1-CZ 3.86Å; L224-F257 HydrophobicContact CG-CE2 4.39Å; V228-F257 HydrophobicContact CG2-CD2 3.7Å; V228-F257 HydrophobicContact CG2-CE2 3.84Å; V247-F257 HydrophobicContact CB-CZ 4.45Å; V247-F257 HydrophobicContact CG1-CE1 3.81Å; V247-F257 HydrophobicContact CG1-CZ 3.78Å; V247-F257 HydrophobicContact CG2-CE2 4.34Å; V247-F257 HydrophobicContact CG2-CZ 4.08Å; L249-F257 HydrophobicContact CD1-CB 3.55Å; L249-F257 HydrophobicContact CD1-CD1 4.33Å; L249-F257 HydrophobicContact CD1-CD2 4.11Å; L249-F257 HydrophobicContact CD1-CG 3.74Å; A253-F257 WeakPolarHBondContact O-CB 3.27Å; A253-F257 PolarHBondContact O-N 3.46Å; V254-F257 PolarHBondContact O-N 3.06Å; F257-A259 VanDerWaalsContact C-N 3.32Å; F257-A259 PolarHBondContact O-N 2.85Å; F257-K260 PolarHBondContact O-N 2.87Å; F257-A261 HydrophobicContact CD1-CB 4.46Å; F257-A261 HydrophobicContact CE1-CB 4.27Å; F257-A261 VanDerWaalsContact O-CB 3.22Å; F257-A261 WeakPolarHBondContact O-CB 3.5Å; F257-A261 PolarHBondContact O-N 3.02Å; F257-V268 HydrophobicContact CD1-CG2 4.45Å; F257-V268 HydrophobicContact CE1-CG2 4.34Å
258K96.3Very high95.3Very high63 Ų6369.2 Ų69.227%0.27433%0.334SS..Hα-helixtrans-55.8-44.9177.5-78.3-172.6173.1-169.30112V254 C255 A261 Q262 V268 D270V254-K258 HydrophobicContact CG1-CD 4.25Å; V254-K258 HydrophobicContact CG1-CG 4.43Å; V254-K258 WeakPolarHBondContact O-CB 3.26Å; V254-K258 WeakPolarHBondContact O-CG 3.44Å; V254-K258 PolarHBondContact O-N 2.8Å; C255-K258 PolarHBondContact O-N 3.22Å; K258-A261 PolarHBondContact O-N 2.89Å; K258-Q262 WeakPolarHBondContact O-CB 3.47Å; K258-Q262 PolarHBondContact O-N 3.31Å; K258-V268 HydrophobicContact CD-CG1 4.44Å; K258-V268 HydrophobicContact CG-CB 4.05Å; K258-V268 HydrophobicContact CG-CG1 3.99Å; K258-V268 HydrophobicContact CG-CG2 4.1Å; K258-D270 IonicContact NZ-OD1 2.73Å; K258-D270 PolarHBondContact NZ-OD1 2.96Å; K258-D270 IonicContact NZ-OD2 3.14Å; K258-D270 PolarHBondContact NZ-OD2 3.1Å
259A96.1Very high95Very high46 Ų4669.6 Ų69.638%0.3833%0.334SS..Hα-helixtrans-61-51177.400000112.2C255 K256 F257 A261 Q262 E263C255-A259 PolarHBondContact O-N 3.34Å; K256-A259 PolarHBondContact O-N 2.9Å; F257-A259 VanDerWaalsContact C-N 3.32Å; F257-A259 PolarHBondContact O-N 2.85Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A259-A261 PolarHBondContact O-N 3.41Å; A259-Q262 WeakPolarHBondContact O-CB 3.35Å; A259-Q262 PolarHBondContact O-N 3.09Å; A259-E263 WeakPolarHBondContact O-CG 3.48Å; A259-E263 PolarHBondContact O-N 3.44Å
260K96.6Very high94.5Very high91 Ų9175.3 Ų75.340%0.39636%0.364SS..Hα-helixtrans-67.4-33.9-180-61.8-127.6-151.3138.80113.3L224 K256 F257 S264L224-K260 HydrophobicContact CB-CB 4.38Å; L224-K260 HydrophobicContact CD2-CB 4.37Å; L224-K260 WeakPolarHBondContact O-CD 3.48Å; L224-K260 WeakPolarHBondContact O-CE 3.33Å; L224-K260 WeakPolarHBondContact O-CG 3.32Å; L224-K260 PolarHBondContact O-NZ 3.25Å; K256-K260 WeakPolarHBondContact O-CG 3.36Å; K256-K260 PolarHBondContact O-N 3.05Å; K256-K260 VanDerWaalsContact O-N 3.14Å; F257-K260 PolarHBondContact O-N 2.87Å; K260-S264 WeakPolarHBondContact O-CB 3.48Å; K260-S264 PolarHBondContact O-N 2.84Å; K260-S264 PolarHBondContact O-OG 3.14Å
261A95.6Very high94Very high0 Ų073.6 Ų73.60%036%0.356CS..Hα-helixtrans-62.4-45.9173.700000110.2L224 F257 K258 A259 S264 K265 F266 V268L224-A261 HydrophobicContact CD1-CB 4.48Å; F257-A261 HydrophobicContact CD1-CB 4.46Å; F257-A261 HydrophobicContact CE1-CB 4.27Å; F257-A261 VanDerWaalsContact O-CB 3.22Å; F257-A261 WeakPolarHBondContact O-CB 3.5Å; F257-A261 PolarHBondContact O-N 3.02Å; K258-A261 PolarHBondContact O-N 2.89Å; A259-A261 VanDerWaalsContact C-N 3.34Å; A259-A261 PolarHBondContact O-N 3.41Å; A261-S264 CarbonylContact O-C 3.59Å; A261-S264 WeakPolarHBondContact O-CA 3.35Å; A261-S264 PolarHBondContact O-N 3.08Å; A261-S264 VanDerWaalsContact O-N 3.13Å; A261-K265 PolarHBondContact O-N 3.21Å; A261-F266 CarbonylContact C-O 3.55Å; A261-F266 VanDerWaalsContact C-O 3.32Å; A261-F266 HydrophobicContact CB-CB 4.22Å; A261-F266 WeakPolarHBondContact O-CA 3.37Å; A261-F266 WeakPolarHBondContact O-CB 3.35Å; A261-F266 PolarHBondContact O-N 3.09Å; A261-F266 VanDerWaalsContact O-O 3.13Å; A261-V268 HydrophobicContact CB-CG2 3.7Å
262Q94.3Very high93.5Very high151 Ų15171.2 Ų71.271%0.70635%0.351SS*.Hα-helixtrans-63.1-43.9177-172.7176.74.700112.4K258 A259 S264 K265K258-Q262 WeakPolarHBondContact O-CB 3.47Å; K258-Q262 PolarHBondContact O-N 3.31Å; A259-Q262 WeakPolarHBondContact O-CB 3.35Å; A259-Q262 PolarHBondContact O-N 3.09Å; Q262-S264 PolarHBondContact O-N 3.32Å; Q262-K265 WeakPolarHBondContact O-CA 3.4Å; Q262-K265 PolarHBondContact O-N 2.89Å
263E95Very high93Very high150 Ų15064.1 Ų64.170%0.70133%0.326SS*.Hα-helixtrans-56.7-37.4172.7-71.8169.3-169.300111.9A259 K265A259-E263 WeakPolarHBondContact O-CG 3.48Å; A259-E263 PolarHBondContact O-N 3.44Å; E263-K265 PolarHBondContact O-N 3.24Å
264S93.3Very high92.5Very high23 Ų2369.2 Ų69.216%0.16135%0.352CS..THydrogen-bonded Turntrans-80.35.7176.4-60.10000113.8K260 A261 Q262 F266K260-S264 WeakPolarHBondContact O-CB 3.48Å; K260-S264 PolarHBondContact O-N 2.84Å; K260-S264 PolarHBondContact O-OG 3.14Å; A261-S264 CarbonylContact O-C 3.59Å; A261-S264 WeakPolarHBondContact O-CA 3.35Å; A261-S264 PolarHBondContact O-N 3.08Å; A261-S264 VanDerWaalsContact O-N 3.13Å; Q262-S264 PolarHBondContact O-N 3.32Å; S264-F266 VanDerWaalsContact C-N 3.27Å; S264-F266 PolarHBondContact O-N 3.2Å
265K93.6Very high92Very high153 Ų15372.6 Ų72.667%0.66537%0.366SS*.THydrogen-bonded Turntrans58.835.8-176.5-53-179.4179.2-177.20113.1K213 A261 Q262 E263K213-K265 VanDerWaalsContact NZ-CB 3.32Å; K213-K265 PolarHBondContact NZ-O 3.2Å; A261-K265 PolarHBondContact O-N 3.21Å; Q262-K265 WeakPolarHBondContact O-CA 3.4Å; Q262-K265 PolarHBondContact O-N 2.89Å; E263-K265 PolarHBondContact O-N 3.24Å
266F95.1Very high91.4Very high2 Ų268.1 Ų68.11%0.00934%0.335CS..  trans-101.9138.2165.3-54.3-51.2000108.7V207 V209 K213 R216 W217 L224 A261 S264V207-F266 HydrophobicContact CG1-CB 3.78Å; V209-F266 HydrophobicContact CG1-CD1 3.99Å; V209-F266 HydrophobicContact CG1-CE1 3.85Å; V209-F266 HydrophobicContact CG2-CD1 4.13Å; K213-F266 HydrophobicContact CB-CE1 4.02Å; K213-F266 HydrophobicContact CD-CE1 4.25Å; R216-F266 HydrophobicContact CG-CZ 4.36Å; W217-F266 HydrophobicContact CB-CE1 4.14Å; W217-F266 HydrophobicContact CB-CZ 4.09Å; W217-F266 HydrophobicContact CE3-CD1 4.18Å; W217-F266 AromaticContact CE3-CD2 3.68Å; W217-F266 HydrophobicContact CE3-CD2 3.68Å; W217-F266 HydrophobicContact CE3-CE1 4.23Å; W217-F266 AromaticContact CE3-CE2 3.74Å; W217-F266 HydrophobicContact CE3-CE2 3.74Å; W217-F266 AromaticContact CE3-CG 3.91Å; W217-F266 HydrophobicContact CE3-CG 3.91Å; W217-F266 HydrophobicContact CE3-CZ 4.02Å; W217-F266 HydrophobicContact CZ3-CB 4.47Å; W217-F266 AromaticContact CZ3-CD2 3.89Å; W217-F266 HydrophobicContact CZ3-CD2 3.89Å; W217-F266 HydrophobicContact CZ3-CE2 4.32Å; W217-F266 HydrophobicContact CZ3-CG 4.18Å; L224-F266 HydrophobicContact CD1-CD2 4.27Å; L224-F266 HydrophobicContact CD1-CE2 4.48Å; A261-F266 CarbonylContact C-O 3.55Å; A261-F266 VanDerWaalsContact C-O 3.32Å; A261-F266 HydrophobicContact CB-CB 4.22Å; A261-F266 WeakPolarHBondContact O-CA 3.37Å; A261-F266 WeakPolarHBondContact O-CB 3.35Å; A261-F266 PolarHBondContact O-N 3.09Å; A261-F266 VanDerWaalsContact O-O 3.13Å; S264-F266 VanDerWaalsContact C-N 3.27Å; S264-F266 PolarHBondContact O-N 3.2Å
267I93.1Very high90.9Very high90 Ų9066 Ų6646%0.46233%0.327SS..EExtended strand (participates in β ladder)trans-104.7115.1-177.4-60.6167.2000107.8Q183 V207 V208Q183-I267 VanDerWaalsContact NE2-CD1 3.31Å; Q183-I267 VanDerWaalsContact OE1-CG2 3.25Å; V207-I267 CarbonylContact C-O 3.56Å; V207-I267 WeakPolarHBondContact CA-O 3.41Å; V208-I267 HydrophobicContact CB-CB 4.4Å; V208-I267 PolarHBondContact N-O 3.34Å; V208-I267 PolarHBondContact O-N 2.74Å
268V94.1Very high90.5Very high27 Ų2772.6 Ų72.616%0.16435%0.352CS..EExtended strand (participates in β ladder)trans-82.1120.4174-175.40000108.4L205 L206 V207 F257 K258 A261L205-V268 HydrophobicContact CB-CG1 4.06Å; L205-V268 HydrophobicContact CD1-CG1 4.07Å; L205-V268 HydrophobicContact CG-CG1 4.44Å; L206-V268 CarbonylContact O-C 3.32Å; L206-V268 WeakPolarHBondContact O-CA 3.48Å; V207-V268 HydrophobicContact CG2-CG2 4.18Å; F257-V268 HydrophobicContact CD1-CG2 4.45Å; F257-V268 HydrophobicContact CE1-CG2 4.34Å; K258-V268 HydrophobicContact CD-CG1 4.44Å; K258-V268 HydrophobicContact CG-CB 4.05Å; K258-V268 HydrophobicContact CG-CG1 3.99Å; K258-V268 HydrophobicContact CG-CG2 4.1Å; A261-V268 HydrophobicContact CB-CG2 3.7Å
269R89.9Confident90Very high21 Ų2173.7 Ų73.78%0.07936%0.357CS..EExtended strand (participates in β ladder)trans-95.6124.6-179.7-178.8176.5174.8179.3-2.9109.6L182 Q183 T184 R185 L206 V208L182-R269 PolarHBondContact O-NH1 2.87Å; Q183-R269 WeakPolarHBondContact O-CD 3.47Å; Q183-R269 PolarHBondContact O-NE 2.91Å; T184-R269 PolarHBondContact O-NH2 3.48Å; R185-R269 PolarHBondContact O-NH1 3.36Å; R185-R269 PolarHBondContact O-NH2 2.73Å; L206-R269 HydrophobicContact CB-CB 4.32Å; L206-R269 PolarHBondContact O-N 3.33Å; V208-R269 HydrophobicContact CG2-CB 4.34Å
270D84.7Confident89.5Confident119 Ų11975.5 Ų75.564%0.63636%0.357SS*.PPolyproline II helixtrans-72.5130.5170.2-71.5-42.5000109.6K258K258-D270 IonicContact NZ-OD1 2.73Å; K258-D270 PolarHBondContact NZ-OD1 2.96Å; K258-D270 IonicContact NZ-OD2 3.14Å; K258-D270 PolarHBondContact NZ-OD2 3.1Å
271Y86.3Confident89.2Confident42 Ų4276.4 Ų76.417%0.16536%0.363CS..  trans-143.9135.1-178.8-177.7-87.1000110.2L187 N188 L191 L196 L206 F273L187-Y271 HydrophobicContact CB-CE2 3.89Å; L187-Y271 HydrophobicContact CD1-CD2 4.14Å; L187-Y271 HydrophobicContact CD1-CE2 4.34Å; L187-Y271 HydrophobicContact CG-CE2 4.43Å; N188-Y271 PolarHBondContact OD1-OH 2.88Å; L191-Y271 HydrophobicContact CD2-CD1 3.69Å; L191-Y271 HydrophobicContact CD2-CE1 3.3Å; L191-Y271 HydrophobicContact CD2-CE2 4.34Å; L191-Y271 HydrophobicContact CD2-CG 4.35Å; L196-Y271 HydrophobicContact CD1-CD1 3.83Å; L196-Y271 HydrophobicContact CD1-CE1 4.02Å; L206-Y271 HydrophobicContact CD1-CD1 4.2Å; L206-Y271 HydrophobicContact CD1-CD2 4.05Å; L206-Y271 HydrophobicContact CD1-CG 3.65Å; Y271-F273 AromaticContact CE1-CD1 3.95Å; Y271-F273 HydrophobicContact CE1-CD1 3.95Å; Y271-F273 HydrophobicContact CE1-CD2 4.19Å; Y271-F273 AromaticContact CE1-CE1 3.93Å; Y271-F273 HydrophobicContact CE1-CE1 3.93Å; Y271-F273 HydrophobicContact CE1-CE2 4.19Å; Y271-F273 HydrophobicContact CE1-CG 4.08Å; Y271-F273 HydrophobicContact CE1-CZ 4.04Å; Y271-F273 WeakPolarHBondContact OH-CD1 3.12Å; Y271-F273 VanDerWaalsContact OH-CE1 3.26Å; Y271-F273 WeakPolarHBondContact OH-CE1 3.46Å
272S84.1Confident89Confident46 Ų4681.2 Ų81.232%0.32239%0.386SS..  trans-144.9131.4173.8170.90000108.7D274 E275 E276S272-D274 PolarHBondContact O-N 2.92Å; S272-D274 PolarHBondContact OG-N 2.66Å; S272-E275 PolarHBondContact O-N 2.7Å; S272-E276 PolarHBondContact O-N 2.8Å; S272-E276 VanDerWaalsContact O-N 3.15Å
273F84.2Confident88.7Confident45 Ų4575 Ų7520%0.19736%0.357CS..Hα-helixtrans-58.8-37175.2-74.5-70.5000111.5L191 K193 L196 Y271 E275 E276 E277L191-F273 HydrophobicContact CD2-CZ 4.05Å; L191-F273 HydrophobicContact CG-CZ 4.17Å; K193-F273 HydrophobicContact CB-CE2 4.38Å; K193-F273 HydrophobicContact CG-CD2 4.22Å; K193-F273 HydrophobicContact CG-CE1 4.4Å; K193-F273 HydrophobicContact CG-CE2 3.95Å; K193-F273 HydrophobicContact CG-CZ 4.07Å; L196-F273 HydrophobicContact CB-CE2 4.45Å; L196-F273 HydrophobicContact CD1-CD2 4.02Å; L196-F273 HydrophobicContact CD1-CE2 3.43Å; L196-F273 VanDerWaalsContact CD1-CE2 3.43Å; L196-F273 HydrophobicContact CD1-CZ 4.13Å; L196-F273 HydrophobicContact CG-CE2 4.06Å; Y271-F273 AromaticContact CE1-CD1 3.95Å; Y271-F273 HydrophobicContact CE1-CD1 3.95Å; Y271-F273 HydrophobicContact CE1-CD2 4.19Å; Y271-F273 AromaticContact CE1-CE1 3.93Å; Y271-F273 HydrophobicContact CE1-CE1 3.93Å; Y271-F273 HydrophobicContact CE1-CE2 4.19Å; Y271-F273 HydrophobicContact CE1-CG 4.08Å; Y271-F273 HydrophobicContact CE1-CZ 4.04Å; Y271-F273 WeakPolarHBondContact OH-CD1 3.12Å; Y271-F273 VanDerWaalsContact OH-CE1 3.26Å; Y271-F273 WeakPolarHBondContact OH-CE1 3.46Å; F273-E275 PolarHBondContact O-N 3.21Å; F273-E276 PolarHBondContact O-N 3.48Å; F273-E277 WeakPolarHBondContact O-CB 3.18Å; F273-E277 PolarHBondContact O-N 3.09Å
274D85.2Confident88.6Confident111 Ų11174.5 Ų74.559%0.59436%0.356SS*.Hα-helixtrans-68.8-33.1-179.6-58-23.3000112.5S272 R278S272-D274 PolarHBondContact O-N 2.92Å; S272-D274 PolarHBondContact OG-N 2.66Å; D274-R278 WeakPolarHBondContact O-CB 3.45Å; D274-R278 VanDerWaalsContact O-CG 3.24Å; D274-R278 WeakPolarHBondContact O-CG 3.41Å; D274-R278 PolarHBondContact O-N 3.12Å; D274-R278 PolarHBondContact O-NE 3.12Å
275E85.1Confident88.6Confident97 Ų9781.1 Ų81.145%0.45338%0.382SS..Hα-helixtrans-69.3-42.9173.3-68.2-110.2124.100110.9S272 F273 R278 K279S272-E275 PolarHBondContact O-N 2.7Å; F273-E275 PolarHBondContact O-N 3.21Å; E275-R278 VanDerWaalsContact CG-NH2 3.31Å; E275-R278 PolarHBondContact O-N 2.93Å; E275-R278 IonicContact OE1-CZ 3.74Å; E275-R278 IonicContact OE1-NH2 2.74Å; E275-R278 PolarHBondContact OE1-NH2 3.42Å; E275-K279 WeakPolarHBondContact O-CG 3.05Å; E275-K279 PolarHBondContact O-N 3Å
276E83.5Confident88.5Confident12 Ų1275.3 Ų75.36%0.05636%0.358CS..Hα-helixtrans-73.1-38.4-176.1-160.965.2-166.800112S186 N188 S272 F273 K279 Q280S186-E276 VanDerWaalsContact CB-OE1 3.22Å; S186-E276 WeakPolarHBondContact CB-OE1 3.38Å; S186-E276 PolarHBondContact OG-OE1 2.74Å; N188-E276 VanDerWaalsContact CG-CG 3.47Å; N188-E276 WeakPolarHBondContact ND2-CG 3.44Å; N188-E276 VanDerWaalsContact OD1-CG 3.27Å; N188-E276 WeakPolarHBondContact OD1-CG 3.27Å; S272-E276 PolarHBondContact O-N 2.8Å; S272-E276 VanDerWaalsContact O-N 3.15Å; F273-E276 PolarHBondContact O-N 3.48Å; E276-K279 PolarHBondContact O-N 3.49Å; E276-K279 IonicContact OE2-NZ 3.37Å; E276-K279 PolarHBondContact OE2-NZ 2.66Å; E276-Q280 WeakPolarHBondContact O-CG 3.5Å; E276-Q280 PolarHBondContact O-N 3.38Å
277E86.1Confident88.4Confident98 Ų9878 Ų7846%0.45838%0.377SS..Hα-helixtrans-62.4-42.4172.1-172.7173.4179.400111.2F273 K279 Q280 Q281F273-E277 WeakPolarHBondContact O-CB 3.18Å; F273-E277 PolarHBondContact O-N 3.09Å; E277-K279 PolarHBondContact O-N 3.37Å; E277-Q280 PolarHBondContact O-N 3.03Å; E277-Q281 WeakPolarHBondContact O-CB 3.35Å; E277-Q281 VanDerWaalsContact O-CG 3.3Å; E277-Q281 WeakPolarHBondContact O-CG 3.3Å; E277-Q281 PolarHBondContact O-N 3.29Å
278R87.7Confident88.4Confident138 Ų13877.3 Ų77.352%0.52138%0.377SS..Hα-helixtrans-59.2-44.4173.8-80.4-176.5-69.1154.30.9112.2D274 E275 Q281 E282D274-R278 WeakPolarHBondContact O-CB 3.45Å; D274-R278 VanDerWaalsContact O-CG 3.24Å; D274-R278 WeakPolarHBondContact O-CG 3.41Å; D274-R278 PolarHBondContact O-N 3.12Å; D274-R278 PolarHBondContact O-NE 3.12Å; E275-R278 VanDerWaalsContact CG-NH2 3.31Å; E275-R278 PolarHBondContact O-N 2.93Å; E275-R278 IonicContact OE1-CZ 3.74Å; E275-R278 IonicContact OE1-NH2 2.74Å; E275-R278 PolarHBondContact OE1-NH2 3.42Å; R278-Q281 PolarHBondContact O-N 3.33Å; R278-E282 WeakPolarHBondContact O-CB 3.21Å; R278-E282 PolarHBondContact O-N 3.41Å
279K85.4Confident88.3Confident85 Ų8579.9 Ų79.937%0.3739%0.387SS..Hα-helixtrans-62.5-43.2175.8-71.2174-167.6166.40112E275 E276 E277 E282 I283E275-K279 WeakPolarHBondContact O-CG 3.05Å; E275-K279 PolarHBondContact O-N 3Å; E276-K279 PolarHBondContact O-N 3.49Å; E276-K279 IonicContact OE2-NZ 3.37Å; E276-K279 PolarHBondContact OE2-NZ 2.66Å; E277-K279 PolarHBondContact O-N 3.37Å; K279-E282 PolarHBondContact O-N 2.97Å; K279-I283 WeakPolarHBondContact O-CG1 3.35Å; K279-I283 PolarHBondContact O-N 3.12Å
280Q86.6Confident88.5Confident84 Ų8481 Ų8139%0.39339%0.392SS..Hα-helixtrans-63.9-42.7177.4-74.7-172.4-23.600112.1N188 E276 E277 E282 I283 M284N188-Q280 PolarHBondContact ND2-NE2 3.19Å; N188-Q280 PolarHBondContact ND2-OE1 3.32Å; E276-Q280 WeakPolarHBondContact O-CG 3.5Å; E276-Q280 PolarHBondContact O-N 3.38Å; E277-Q280 PolarHBondContact O-N 3.03Å; Q280-E282 VanDerWaalsContact C-N 3.3Å; Q280-E282 PolarHBondContact O-N 3.19Å; Q280-I283 PolarHBondContact O-N 3.48Å; Q280-M284 WeakPolarHBondContact O-CB 3.36Å; Q280-M284 PolarHBondContact O-N 2.93Å
281Q90.2Very high88.8Confident110 Ų11083.1 Ų83.151%0.51440%0.396SS..Hα-helixtrans-60.9-40.2173.6-72.1175.94.100111.4E277 R278 M284 K285E277-Q281 WeakPolarHBondContact O-CB 3.35Å; E277-Q281 VanDerWaalsContact O-CG 3.3Å; E277-Q281 WeakPolarHBondContact O-CG 3.3Å; E277-Q281 PolarHBondContact O-N 3.29Å; R278-Q281 PolarHBondContact O-N 3.33Å; Q281-M284 PolarHBondContact O-N 3.12Å; Q281-K285 VanDerWaalsContact O-CB 3.27Å; Q281-K285 WeakPolarHBondContact O-CB 3.3Å; Q281-K285 PolarHBondContact O-N 2.77Å
282E90.6Very high89Confident101 Ų10185.5 Ų85.547%0.47241%0.412SS..Hα-helixtrans-65.2-45.2176.1-173.6171-162.600112.2L174 R278 K279 Q280 M284 K285 L286L174-E282 HydrophobicContact CD1-CG 4.08Å; R278-E282 WeakPolarHBondContact O-CB 3.21Å; R278-E282 PolarHBondContact O-N 3.41Å; K279-E282 PolarHBondContact O-N 2.97Å; Q280-E282 VanDerWaalsContact C-N 3.3Å; Q280-E282 PolarHBondContact O-N 3.19Å; E282-M284 PolarHBondContact O-N 3.15Å; E282-K285 PolarHBondContact O-N 2.83Å; E282-L286 HydrophobicContact CG-CD1 3.97Å; E282-L286 HydrophobicContact CG-CG 4.41Å; E282-L286 WeakPolarHBondContact O-CB 3.49Å; E282-L286 VanDerWaalsContact O-CG 3.32Å; E282-L286 WeakPolarHBondContact O-CG 3.36Å; E282-L286 PolarHBondContact O-N 2.87Å
283I89.9Confident89.4Confident22 Ų2286.6 Ų86.611%0.11341%0.412CS..Hα-helixtrans-59.1-46.9174.5-69.7170.7000110.5L174 L178 K279 Q280 K285 L286 S287L174-I283 HydrophobicContact CB-CD1 4.04Å; L174-I283 HydrophobicContact CB-CG1 3.7Å; L174-I283 HydrophobicContact CD1-CG1 4.18Å; L178-I283 HydrophobicContact CD1-CD1 3.8Å; L178-I283 HydrophobicContact CD2-CD1 4.06Å; L178-I283 HydrophobicContact CG-CD1 3.95Å; K279-I283 WeakPolarHBondContact O-CG1 3.35Å; K279-I283 PolarHBondContact O-N 3.12Å; Q280-I283 PolarHBondContact O-N 3.48Å; I283-K285 PolarHBondContact O-N 3.18Å; I283-L286 PolarHBondContact O-N 3.42Å; I283-S287 WeakPolarHBondContact O-CB 3.48Å; I283-S287 PolarHBondContact O-N 3.48Å
284M91.3Very high89.9Confident138 Ų13888.6 Ų88.668%0.6842%0.419SS*.Hα-helixtrans-61.1-45.9178-173.7179.2-17900111.3Q280 Q281 E282 S287 V288Q280-M284 WeakPolarHBondContact O-CB 3.36Å; Q280-M284 PolarHBondContact O-N 2.93Å; Q281-M284 PolarHBondContact O-N 3.12Å; E282-M284 PolarHBondContact O-N 3.15Å; M284-S287 PolarHBondContact O-N 2.99Å; M284-V288 WeakPolarHBondContact O-CG2 3.32Å; M284-V288 PolarHBondContact O-N 3.33Å
285K93.5Very high90.2Very high162 Ų16284.9 Ų84.970%0.70441%0.407SS*.Hα-helixtrans-60.8-46.7177.3-178.1-178.8177.1-176.60111.8Q281 E282 I283 S287 H289Q281-K285 VanDerWaalsContact O-CB 3.27Å; Q281-K285 WeakPolarHBondContact O-CB 3.3Å; Q281-K285 PolarHBondContact O-N 2.77Å; E282-K285 PolarHBondContact O-N 2.83Å; I283-K285 PolarHBondContact O-N 3.18Å; K285-S287 VanDerWaalsContact C-N 3.34Å; K285-H289 WeakPolarHBondContact O-CB 3.36Å; K285-H289 PolarHBondContact O-N 3.36Å
286L92.7Very high90.6Very high31 Ų3184.1 Ų84.116%0.16241%0.405CS..Hα-helixtrans-68.1-33.9178.7-70.4172.9000112L167 L171 L174 E282 I283 H289 K290L167-L286 HydrophobicContact CD1-CB 4.49Å; L167-L286 HydrophobicContact CD1-CD2 3.6Å; L171-L286 HydrophobicContact CD1-CB 4.12Å; L174-L286 HydrophobicContact CD1-CD1 3.52Å; E282-L286 HydrophobicContact CG-CD1 3.97Å; E282-L286 HydrophobicContact CG-CG 4.41Å; E282-L286 WeakPolarHBondContact O-CB 3.49Å; E282-L286 VanDerWaalsContact O-CG 3.32Å; E282-L286 WeakPolarHBondContact O-CG 3.36Å; E282-L286 PolarHBondContact O-N 2.87Å; I283-L286 PolarHBondContact O-N 3.42Å; L286-H289 PolarHBondContact O-N 3.16Å; L286-K290 VanDerWaalsContact O-CB 3.25Å; L286-K290 WeakPolarHBondContact O-CB 3.46Å; L286-K290 PolarHBondContact O-N 3.38Å
287S91.6Very high91.2Very high58 Ų5883.8 Ų83.841%0.40640%0.403SS..Hα-helixtrans-65.5-46.6176.4-178.60000111.8L171 I283 M284 K285 K290 K291L171-S287 VanDerWaalsContact CD1-CA 3.5Å; I283-S287 WeakPolarHBondContact O-CB 3.48Å; I283-S287 PolarHBondContact O-N 3.48Å; M284-S287 PolarHBondContact O-N 2.99Å; K285-S287 VanDerWaalsContact C-N 3.34Å; S287-K290 PolarHBondContact O-N 3.28Å; S287-K291 PolarHBondContact O-N 3.39Å
288V93.4Very high91.6Very high76 Ų7679.7 Ų79.746%0.46139%0.385SS..Hα-helixtrans-60.6-48.3173174.40000110.3M284 K290 K291 D292M284-V288 WeakPolarHBondContact O-CG2 3.32Å; M284-V288 PolarHBondContact O-N 3.33Å; V288-K290 VanDerWaalsContact C-N 3.31Å; V288-K290 PolarHBondContact O-N 3.16Å; V288-K291 WeakPolarHBondContact O-CB 3.22Å; V288-K291 PolarHBondContact O-N 3.39Å; V288-K291 VanDerWaalsContact O-N 3.13Å; V288-D292 PolarHBondContact O-N 3.32Å
289H92.2Very high92Very high82 Ų8281.4 Ų81.438%0.3839%0.391SS..Hα-helixtrans-60-40.2178.6-174.3-143000112.4L167 K285 L286 D292 Q293L167-H289 HydrophobicContact CD2-CB 4.46Å; K285-H289 WeakPolarHBondContact O-CB 3.36Å; K285-H289 PolarHBondContact O-N 3.36Å; L286-H289 PolarHBondContact O-N 3.16Å; H289-D292 PolarHBondContact O-N 3.46Å; H289-Q293 WeakPolarHBondContact NE2-CG 3.42Å; H289-Q293 PolarHBondContact NE2-NE2 2.96Å; H289-Q293 WeakPolarHBondContact O-CB 3.46Å; H289-Q293 VanDerWaalsContact O-CG 3.27Å; H289-Q293 WeakPolarHBondContact O-CG 3.31Å; H289-Q293 PolarHBondContact O-N 3.04Å
290K93.4Very high92.5Very high43 Ų4378.7 Ų78.719%0.18738%0.379CS..Hα-helixtrans-62.5-42.8175.8178.3-177.4171.5-177.30111.4L167 L171 L286 S287 V288 Q293 Y294L167-K290 HydrophobicContact CD2-CB 4.06Å; L167-K290 HydrophobicContact CG-CB 4.26Å; L171-K290 HydrophobicContact CD1-CD 4.08Å; L171-K290 HydrophobicContact CD2-CD 4.15Å; L286-K290 VanDerWaalsContact O-CB 3.25Å; L286-K290 WeakPolarHBondContact O-CB 3.46Å; L286-K290 PolarHBondContact O-N 3.38Å; S287-K290 PolarHBondContact O-N 3.28Å; V288-K290 VanDerWaalsContact C-N 3.31Å; V288-K290 PolarHBondContact O-N 3.16Å; K290-Q293 PolarHBondContact O-N 3Å; K290-Y294 VanDerWaalsContact O-CB 3.26Å; K290-Y294 WeakPolarHBondContact O-CB 3.24Å; K290-Y294 PolarHBondContact O-N 2.91Å
291K91.5Very high93Very high164 Ų16474.7 Ų74.771%0.71336%0.36SS*.Hα-helixtrans-63.6-42.2178-173176179.6176.30111.9S287 V288 Y294 G295S287-K291 PolarHBondContact O-N 3.39Å; V288-K291 WeakPolarHBondContact O-CB 3.22Å; V288-K291 PolarHBondContact O-N 3.39Å; V288-K291 VanDerWaalsContact O-N 3.13Å; K291-Y294 WeakPolarHBondContact O-CB 3.49Å; K291-Y294 PolarHBondContact O-N 2.91Å; K291-G295 PolarHBondContact O-N 2.89Å
292D91.3Very high93.2Very high92 Ų9272.3 Ų72.349%0.49235%0.348SS..Hα-helixtrans-66.4-48.1177-69.8-17.2000111.4V288 H289 Y294 G295 I296V288-D292 PolarHBondContact O-N 3.32Å; H289-D292 PolarHBondContact O-N 3.46Å; D292-Y294 VanDerWaalsContact C-N 3.3Å; D292-Y294 PolarHBondContact O-N 3.39Å; D292-G295 PolarHBondContact O-N 3.47Å; D292-I296 WeakPolarHBondContact O-CG1 3.39Å; D292-I296 PolarHBondContact O-N 3.14Å
293Q92.8Very high93.4Very high69 Ų6971.5 Ų71.532%0.32235%0.35SS..Hα-helixtrans-62.7-36.5177.8-70.1-58.5-31.200112.2Y164 L167 H289 K290 G295 I296 F297Y164-Q293 HydrophobicContact CD2-CB 4.33Å; L167-Q293 HydrophobicContact CD2-CB 4.24Å; L167-Q293 HydrophobicContact CD2-CG 4.02Å; H289-Q293 WeakPolarHBondContact NE2-CG 3.42Å; H289-Q293 PolarHBondContact NE2-NE2 2.96Å; H289-Q293 WeakPolarHBondContact O-CB 3.46Å; H289-Q293 VanDerWaalsContact O-CG 3.27Å; H289-Q293 WeakPolarHBondContact O-CG 3.31Å; H289-Q293 PolarHBondContact O-N 3.04Å; K290-Q293 PolarHBondContact O-N 3Å; Q293-G295 PolarHBondContact O-N 3.4Å; Q293-I296 PolarHBondContact O-N 3.39Å; Q293-F297 WeakPolarHBondContact O-CB 3.45Å; Q293-F297 PolarHBondContact O-N 2.76Å
294Y93.6Very high93.7Very high87 Ų8771.2 Ų71.234%0.34135%0.348SS..Hα-helixtrans-55.6-52.2175.1169.3-95.5000111.5V78 K290 K291 D292 I296 F297 V298V78-Y294 HydrophobicContact CG1-CD2 3.69Å; V78-Y294 HydrophobicContact CG1-CE2 3.73Å; V78-Y294 WeakPolarHBondContact O-CE2 3.33Å; K290-Y294 VanDerWaalsContact O-CB 3.26Å; K290-Y294 WeakPolarHBondContact O-CB 3.24Å; K290-Y294 PolarHBondContact O-N 2.91Å; K291-Y294 WeakPolarHBondContact O-CB 3.49Å; K291-Y294 PolarHBondContact O-N 2.91Å; D292-Y294 VanDerWaalsContact C-N 3.3Å; D292-Y294 PolarHBondContact O-N 3.39Å; Y294-I296 PolarHBondContact O-N 3.01Å; Y294-F297 PolarHBondContact O-N 3.17Å; Y294-V298 HydrophobicContact CD2-CG2 3.97Å; Y294-V298 HydrophobicContact CE1-CG2 4.3Å; Y294-V298 HydrophobicContact CE2-CG2 3.65Å; Y294-V298 HydrophobicContact CG-CG2 4.44Å; Y294-V298 WeakPolarHBondContact O-CB 3.21Å; Y294-V298 VanDerWaalsContact O-CG2 3.31Å; Y294-V298 WeakPolarHBondContact O-CG2 3.43Å; Y294-V298 PolarHBondContact O-N 3.16Å
295G91.8Very high94Very high33 Ų3364.7 Ų64.734%0.3432%0.316SS..Hα-helixtrans-62.5-42.5-178.200000112.7K291 D292 Q293 R299K291-G295 PolarHBondContact O-N 2.89Å; D292-G295 PolarHBondContact O-N 3.47Å; Q293-G295 PolarHBondContact O-N 3.4Å; G295-R299 WeakPolarHBondContact O-CB 3.5Å; G295-R299 PolarHBondContact O-N 3.17Å; G295-R299 VanDerWaalsContact O-N 3.15Å
296I94.3Very high94Very high81 Ų8158.4 Ų58.442%0.41529%0.292SS..Hα-helixtrans-64.3-47.1177.5-64.6166.9000110.4D292 Q293 Y294 R299 W300D292-I296 WeakPolarHBondContact O-CG1 3.39Å; D292-I296 PolarHBondContact O-N 3.14Å; Q293-I296 PolarHBondContact O-N 3.39Å; Y294-I296 PolarHBondContact O-N 3.01Å; I296-R299 PolarHBondContact O-N 2.74Å; I296-W300 WeakPolarHBondContact O-CB 3.44Å; I296-W300 PolarHBondContact O-N 2.95Å
297F95.8Very high94Very high6 Ų660.2 Ų60.23%0.02630%0.299CS..Hα-helixtrans-70-44.4-174.8-173.8-144.7000112C74 V78 R160 A161 Y164 Q293 Y294 R299 W300 L301C74-F297 VanDerWaalsContact SG-CZ 3.59Å; V78-F297 HydrophobicContact CG1-CD1 4.44Å; V78-F297 HydrophobicContact CG2-CD1 4.05Å; V78-F297 HydrophobicContact CG2-CE1 3.77Å; R160-F297 HydrophobicContact CB-CD2 3.8Å; R160-F297 HydrophobicContact CB-CE2 3.51Å; R160-F297 HydrophobicContact CB-CZ 4.27Å; A161-F297 HydrophobicContact CB-CZ 4.07Å; Y164-F297 HydrophobicContact CD1-CD1 4.17Å; Y164-F297 HydrophobicContact CD1-CE1 4.28Å; Y164-F297 HydrophobicContact CD2-CD1 4.2Å; Y164-F297 AromaticContact CG-CD1 3.82Å; Y164-F297 HydrophobicContact CG-CD1 3.82Å; Y164-F297 HydrophobicContact CG-CE1 4.2Å; Q293-F297 WeakPolarHBondContact O-CB 3.45Å; Q293-F297 PolarHBondContact O-N 2.76Å; Y294-F297 PolarHBondContact O-N 3.17Å; F297-R299 VanDerWaalsContact C-N 3.33Å; F297-R299 PolarHBondContact O-N 3.08Å; F297-W300 HydrophobicContact CD2-CE3 4.42Å; F297-W300 HydrophobicContact CE2-CE3 4.23Å; F297-W300 PolarHBondContact O-N 3.45Å; F297-L301 HydrophobicContact CD1-CD1 4.18Å; F297-L301 HydrophobicContact CD2-CD1 4.23Å; F297-L301 HydrophobicContact CD2-CG 4.06Å; F297-L301 HydrophobicContact CE1-CD1 4Å; F297-L301 HydrophobicContact CE2-CD1 4.04Å; F297-L301 HydrophobicContact CE2-CD2 3.92Å; F297-L301 HydrophobicContact CE2-CG 3.81Å; F297-L301 HydrophobicContact CG-CD1 4.3Å; F297-L301 HydrophobicContact CZ-CD1 3.92Å; F297-L301 HydrophobicContact CZ-CD2 4.1Å; F297-L301 HydrophobicContact CZ-CG 4.14Å; F297-L301 WeakPolarHBondContact O-CG 3.35Å; F297-L301 PolarHBondContact O-N 3.42Å
298V94.8Very high94.3Very high11 Ų1157.5 Ų57.57%0.06728%0.28CS..Hα-helixtrans-59.4-45.1174.8170.70000110.8L75 V78 M79 Y294 W300 L301 K302L75-V298 HydrophobicContact CD1-CG1 4.4Å; V78-V298 HydrophobicContact CG1-CG2 3.58Å; M79-V298 HydrophobicContact CG-CG1 4.09Å; M79-V298 HydrophobicContact CG-CG2 3.95Å; M79-V298 HydrophobicContact SD-CG1 3.81Å; Y294-V298 HydrophobicContact CD2-CG2 3.97Å; Y294-V298 HydrophobicContact CE1-CG2 4.3Å; Y294-V298 HydrophobicContact CE2-CG2 3.65Å; Y294-V298 HydrophobicContact CG-CG2 4.44Å; Y294-V298 WeakPolarHBondContact O-CB 3.21Å; Y294-V298 VanDerWaalsContact O-CG2 3.31Å; Y294-V298 WeakPolarHBondContact O-CG2 3.43Å; Y294-V298 PolarHBondContact O-N 3.16Å; V298-W300 VanDerWaalsContact C-N 3.32Å; V298-W300 PolarHBondContact O-N 2.93Å; V298-L301 PolarHBondContact O-N 3.19Å; V298-K302 HydrophobicContact CG1-CD 4.13Å; V298-K302 HydrophobicContact CG1-CG 4.4Å; V298-K302 VanDerWaalsContact O-CG 3.26Å; V298-K302 WeakPolarHBondContact O-CG 3.43Å; V298-K302 PolarHBondContact O-N 3.31Å
299R94.8Very high94.4Very high175 Ų17554 Ų5466%0.6626%0.258SS*.Hα-helixtrans-59.5-44.9176.7-175.5178.7-65.7133.10.9111.4G295 I296 F297 K302 V303G295-R299 WeakPolarHBondContact O-CB 3.5Å; G295-R299 PolarHBondContact O-N 3.17Å; G295-R299 VanDerWaalsContact O-N 3.15Å; I296-R299 PolarHBondContact O-N 2.74Å; F297-R299 VanDerWaalsContact C-N 3.33Å; F297-R299 PolarHBondContact O-N 3.08Å; R299-K302 PolarHBondContact O-N 3.35Å; R299-V303 WeakPolarHBondContact O-CG2 3.38Å; R299-V303 PolarHBondContact O-N 3.22Å
300W97.3Very high94.5Very high27 Ų2752.1 Ų52.110%0.10225%0.251CS..Hα-helixtrans-61.3-46.1177.4-175.594.3000111.5V153 E156 L157 I296 F297 V298 K302 V303 N304V153-W300 HydrophobicContact CG1-CH2 3.99Å; V153-W300 HydrophobicContact CG1-CZ2 4.42Å; E156-W300 HydrophobicContact CB-CH2 3.96Å; E156-W300 HydrophobicContact CB-CZ2 3.38Å; E156-W300 HydrophobicContact CG-CZ2 4.41Å; E156-W300 WeakPolarHBondContact OE2-CZ2 3.33Å; E156-W300 PolarHBondContact OE2-NE1 3.4Å; L157-W300 HydrophobicContact CB-CH2 3.81Å; L157-W300 HydrophobicContact CB-CZ3 3.99Å; L157-W300 HydrophobicContact CD1-CZ3 3.95Å; I296-W300 WeakPolarHBondContact O-CB 3.44Å; I296-W300 PolarHBondContact O-N 2.95Å; F297-W300 HydrophobicContact CD2-CE3 4.42Å; F297-W300 HydrophobicContact CE2-CE3 4.23Å; F297-W300 PolarHBondContact O-N 3.45Å; V298-W300 VanDerWaalsContact C-N 3.32Å; V298-W300 PolarHBondContact O-N 2.93Å; W300-K302 VanDerWaalsContact C-N 3.34Å; W300-K302 PolarHBondContact O-N 3.02Å; W300-V303 PolarHBondContact O-N 3.45Å; W300-N304 VanDerWaalsContact CD2-ND2 3.26Å; W300-N304 HydrophobicContact CE3-CB 4.46Å; W300-N304 HydrophobicContact CH2-CB 4.14Å; W300-N304 HydrophobicContact CZ2-CB 4.21Å; W300-N304 HydrophobicContact CZ3-CB 4.29Å; W300-N304 PolarHBondContact NE1-ND2 3.01Å; W300-N304 VanDerWaalsContact NE1-ND2 3.18Å; W300-N304 WeakPolarHBondContact O-CB 3.27Å; W300-N304 PolarHBondContact O-N 2.92Å; W300-N304 PolarHBondContact O-ND2 2.94Å
301L96.6Very high94.7Very high0 Ų050 Ų500%024%0.242CC..Hα-helixtrans-58.3-44.4177.8-73.1167.6000111.9T71 C74 L75 V78 L157 F297 V298 F305T71-L301 HydrophobicContact CG2-CD2 3.98Å; C74-L301 HydrophobicContact CB-CD2 4.34Å; L75-L301 HydrophobicContact CB-CD1 4.46Å; L75-L301 HydrophobicContact CD1-CB 3.79Å; L75-L301 HydrophobicContact CD1-CD1 4.12Å; V78-L301 HydrophobicContact CG2-CD1 4.46Å; L157-L301 HydrophobicContact CD1-CD2 3.51Å; F297-L301 HydrophobicContact CD1-CD1 4.18Å; F297-L301 HydrophobicContact CD2-CD1 4.23Å; F297-L301 HydrophobicContact CD2-CG 4.06Å; F297-L301 HydrophobicContact CE1-CD1 4Å; F297-L301 HydrophobicContact CE2-CD1 4.04Å; F297-L301 HydrophobicContact CE2-CD2 3.92Å; F297-L301 HydrophobicContact CE2-CG 3.81Å; F297-L301 HydrophobicContact CG-CD1 4.3Å; F297-L301 HydrophobicContact CZ-CD1 3.92Å; F297-L301 HydrophobicContact CZ-CD2 4.1Å; F297-L301 HydrophobicContact CZ-CG 4.14Å; F297-L301 WeakPolarHBondContact O-CG 3.35Å; F297-L301 PolarHBondContact O-N 3.42Å; V298-L301 PolarHBondContact O-N 3.19Å; L301-F305 WeakPolarHBondContact O-CB 3.2Å; L301-F305 PolarHBondContact O-N 2.86Å
302K94.4Very high94.9Very high61 Ų6142.3 Ų42.327%0.26521%0.208SC..Hα-helixtrans-62.5-46.2-179.7-68.6-177.4171.3-176.50112.8L75 Y111 V298 R299 W300 T306L75-K302 HydrophobicContact CD1-CG 4.13Å; Y111-K302 HydrophobicContact CD2-CD 3.98Å; Y111-K302 HydrophobicContact CE1-CD 4.22Å; Y111-K302 HydrophobicContact CE1-CG 3.87Å; Y111-K302 HydrophobicContact CE2-CB 4.36Å; Y111-K302 HydrophobicContact CE2-CD 3.44Å; Y111-K302 VanDerWaalsContact CE2-CD 3.44Å; Y111-K302 VanDerWaalsContact CE2-CE 3.5Å; Y111-K302 HydrophobicContact CE2-CG 3.81Å; Y111-K302 VanDerWaalsContact OH-CB 3.27Å; Y111-K302 WeakPolarHBondContact OH-CB 3.21Å; Y111-K302 VanDerWaalsContact OH-CG 3.26Å; Y111-K302 WeakPolarHBondContact OH-CG 3.38Å; V298-K302 HydrophobicContact CG1-CD 4.13Å; V298-K302 HydrophobicContact CG1-CG 4.4Å; V298-K302 VanDerWaalsContact O-CG 3.26Å; V298-K302 WeakPolarHBondContact O-CG 3.43Å; V298-K302 PolarHBondContact O-N 3.31Å; R299-K302 PolarHBondContact O-N 3.35Å; W300-K302 VanDerWaalsContact C-N 3.34Å; W300-K302 PolarHBondContact O-N 3.02Å; K302-T306 PolarHBondContact O-N 3.45Å; K302-T306 PolarHBondContact O-OG1 2.86Å
303V95.4Very high95.2Very high84 Ų8438.3 Ų38.351%0.50919%0.187SC..Hα-helixtrans-64.4-51.2178.5172.30000110.2R299 W300 F305 T306 Q307R299-V303 WeakPolarHBondContact O-CG2 3.38Å; R299-V303 PolarHBondContact O-N 3.22Å; W300-V303 PolarHBondContact O-N 3.45Å; V303-F305 PolarHBondContact O-N 3Å; V303-T306 PolarHBondContact O-N 3.46Å; V303-Q307 WeakPolarHBondContact O-CB 3.07Å; V303-Q307 PolarHBondContact O-N 2.6Å
304N96.3Very high95.4Very high15 Ų1535.3 Ų35.38%0.0817%0.173CC..Hα-helixtrans-70.6-34.1-174.5-75.3-84.1000112.7V153 W300 T306 Q307 V308V153-N304 HydrophobicContact CG1-CB 3.88Å; V153-N304 WeakPolarHBondContact CG2-OD1 3.49Å; W300-N304 VanDerWaalsContact CD2-ND2 3.26Å; W300-N304 HydrophobicContact CE3-CB 4.46Å; W300-N304 HydrophobicContact CH2-CB 4.14Å; W300-N304 HydrophobicContact CZ2-CB 4.21Å; W300-N304 HydrophobicContact CZ3-CB 4.29Å; W300-N304 PolarHBondContact NE1-ND2 3.01Å; W300-N304 VanDerWaalsContact NE1-ND2 3.18Å; W300-N304 WeakPolarHBondContact O-CB 3.27Å; W300-N304 PolarHBondContact O-N 2.92Å; W300-N304 PolarHBondContact O-ND2 2.94Å; N304-T306 VanDerWaalsContact C-N 3.34Å; N304-T306 PolarHBondContact O-N 2.91Å; N304-Q307 PolarHBondContact O-N 3.36Å; N304-V308 WeakPolarHBondContact O-CB 3.29Å; N304-V308 VanDerWaalsContact O-CG2 3.3Å; N304-V308 WeakPolarHBondContact O-CG2 3.05Å; N304-V308 PolarHBondContact O-N 3.37Å
305F95.9Very high95.6Very high1 Ų131.1 Ų31.10%0.00416%0.156CC..Hα-helixtrans-57.3-49.1172.1179.1-90.5000111.3I68 T71 C72 L115 L119 L301 V303 Q307 F309 L394I68-F305 HydrophobicContact CG2-CD2 4.31Å; I68-F305 HydrophobicContact CG2-CE2 3.49Å; I68-F305 VanDerWaalsContact CG2-CE2 3.49Å; I68-F305 HydrophobicContact CG2-CZ 3.92Å; T71-F305 HydrophobicContact CG2-CB 3.9Å; T71-F305 HydrophobicContact CG2-CD2 4.15Å; C72-F305 HydrophobicContact CB-CD2 4.32Å; C72-F305 HydrophobicContact CB-CE2 3.79Å; L115-F305 HydrophobicContact CD1-CD1 4.14Å; L115-F305 HydrophobicContact CD1-CE1 4.24Å; L115-F305 HydrophobicContact CD2-CD1 3.68Å; L115-F305 HydrophobicContact CD2-CE1 3.55Å; L115-F305 HydrophobicContact CD2-CZ 4.43Å; L115-F305 HydrophobicContact CG-CD1 4.35Å; L115-F305 HydrophobicContact CG-CE1 4.1Å; L119-F305 HydrophobicContact CD1-CE1 3.68Å; L119-F305 HydrophobicContact CD1-CZ 4.37Å; L301-F305 WeakPolarHBondContact O-CB 3.2Å; L301-F305 PolarHBondContact O-N 2.86Å; V303-F305 PolarHBondContact O-N 3Å; F305-Q307 VanDerWaalsContact C-N 3.34Å; F305-Q307 PolarHBondContact O-N 2.83Å; F305-F309 VanDerWaalsContact O-CB 3.28Å; F305-F309 WeakPolarHBondContact O-CB 3.43Å; F305-F309 PolarHBondContact O-N 2.8Å; F305-L394 HydrophobicContact CE1-CD2 3.85Å; F305-L394 HydrophobicContact CZ-CD2 3.61Å
306T93.4Very high95.8Very high31 Ų3129.9 Ų29.919%0.1914%0.141CC..Hα-helixtrans-64.1-41.9-179.9-54.30000111K302 V303 N304 F309 I310K302-T306 PolarHBondContact O-N 3.45Å; K302-T306 PolarHBondContact O-OG1 2.86Å; V303-T306 PolarHBondContact O-N 3.46Å; N304-T306 VanDerWaalsContact C-N 3.34Å; N304-T306 PolarHBondContact O-N 2.91Å; T306-F309 PolarHBondContact O-N 2.8Å; T306-I310 HydrophobicContact CG2-CD1 4.02Å; T306-I310 VanDerWaalsContact O-CG1 3.29Å; T306-I310 WeakPolarHBondContact O-CG1 3.27Å; T306-I310 PolarHBondContact O-N 2.85Å
307Q94.3Very high95.9Very high69 Ų6926 Ų2632%0.32212%0.122SC..Hα-helixtrans-62.8-50.8179177.8174.7-3.700112.4E149 V303 N304 F305 F309 I310 A311E149-Q307 VanDerWaalsContact OE1-CD 3.29Å; E149-Q307 WeakPolarHBondContact OE1-CG 3.41Å; E149-Q307 PolarHBondContact OE1-NE2 3.29Å; V303-Q307 WeakPolarHBondContact O-CB 3.07Å; V303-Q307 PolarHBondContact O-N 2.6Å; N304-Q307 PolarHBondContact O-N 3.36Å; F305-Q307 VanDerWaalsContact C-N 3.34Å; F305-Q307 PolarHBondContact O-N 2.83Å; Q307-F309 VanDerWaalsContact C-N 3.3Å; Q307-F309 PolarHBondContact O-N 3.47Å; Q307-I310 PolarHBondContact O-N 2.86Å; Q307-A311 PolarHBondContact O-N 3.44Å
308V96.6Very high95.9Very high0 Ų025.7 Ų25.70%012%0.12CC..Hα-helixtrans-63.9-37.6177.5177.60000110.7T64 L67 I68 V153 N304 A311 W312T64-V308 HydrophobicContact CG2-CG1 3.74Å; L67-V308 HydrophobicContact CD2-CG1 4.07Å; L67-V308 HydrophobicContact CD2-CG2 4.11Å; L67-V308 HydrophobicContact CG-CG1 4.38Å; I68-V308 HydrophobicContact CD1-CG1 4.14Å; I68-V308 HydrophobicContact CG1-CB 4.3Å; I68-V308 HydrophobicContact CG1-CG1 3.56Å; V153-V308 HydrophobicContact CB-CG2 3.86Å; V153-V308 HydrophobicContact CG1-CG2 3.62Å; V153-V308 HydrophobicContact CG2-CG2 3.91Å; N304-V308 WeakPolarHBondContact O-CB 3.29Å; N304-V308 VanDerWaalsContact O-CG2 3.3Å; N304-V308 WeakPolarHBondContact O-CG2 3.05Å; N304-V308 PolarHBondContact O-N 3.37Å; V308-A311 PolarHBondContact O-N 2.86Å; V308-W312 WeakPolarHBondContact O-CB 3.47Å; V308-W312 PolarHBondContact O-N 3.48Å
309F95.6Very high96Very high2 Ų226.8 Ų26.81%0.00912%0.123CC..Hα-helixtrans-62.1-44.4175.2-170-84.3000112I68 L119 I123 F305 T306 Q307 A311 W312 I313 M393I68-F309 HydrophobicContact CD1-CB 4.44Å; I68-F309 HydrophobicContact CD1-CD2 4.2Å; I68-F309 HydrophobicContact CG2-CD2 4.4Å; L119-F309 HydrophobicContact CB-CE1 4.15Å; L119-F309 HydrophobicContact CB-CZ 4.46Å; L119-F309 HydrophobicContact CD1-CD1 3.95Å; L119-F309 HydrophobicContact CD1-CD2 3.82Å; L119-F309 HydrophobicContact CD1-CE1 4.06Å; L119-F309 HydrophobicContact CD1-CE2 3.96Å; L119-F309 HydrophobicContact CD1-CG 3.82Å; L119-F309 HydrophobicContact CD1-CZ 4.08Å; L119-F309 HydrophobicContact CD2-CB 4.36Å; L119-F309 HydrophobicContact CD2-CD1 3.49Å; L119-F309 VanDerWaalsContact CD2-CD1 3.49Å; L119-F309 HydrophobicContact CD2-CE1 3.94Å; L119-F309 HydrophobicContact CD2-CG 3.95Å; L119-F309 HydrophobicContact CG-CD1 4.18Å; L119-F309 HydrophobicContact CG-CE1 4.26Å; L119-F309 HydrophobicContact CG-CG 4.48Å; I123-F309 HydrophobicContact CD1-CE1 3.69Å; I123-F309 HydrophobicContact CD1-CZ 3.51Å; I123-F309 HydrophobicContact CG1-CE1 3.75Å; I123-F309 HydrophobicContact CG1-CZ 4.09Å; F305-F309 VanDerWaalsContact O-CB 3.28Å; F305-F309 WeakPolarHBondContact O-CB 3.43Å; F305-F309 PolarHBondContact O-N 2.8Å; T306-F309 PolarHBondContact O-N 2.8Å; Q307-F309 VanDerWaalsContact C-N 3.3Å; Q307-F309 PolarHBondContact O-N 3.47Å; F309-A311 VanDerWaalsContact C-N 3.34Å; F309-A311 PolarHBondContact O-N 3.16Å; F309-W312 HydrophobicContact CD2-CE3 4.17Å; F309-W312 AromaticContact CE2-CE3 3.95Å; F309-W312 HydrophobicContact CE2-CE3 3.95Å; F309-W312 AromaticContact CE2-CZ3 3.98Å; F309-W312 HydrophobicContact CE2-CZ3 3.98Å; F309-W312 WeakPolarHBondContact O-CB 3.24Å; F309-W312 PolarHBondContact O-N 2.91Å; F309-I313 HydrophobicContact CD1-CG1 4.12Å; F309-I313 HydrophobicContact CE1-CD1 3.91Å; F309-I313 HydrophobicContact CE1-CG1 3.77Å; F309-I313 HydrophobicContact CZ-CD1 4.11Å; F309-I313 HydrophobicContact CZ-CG1 4.45Å; F309-I313 WeakPolarHBondContact O-CG1 3.32Å; F309-I313 PolarHBondContact O-N 3.4Å; F309-I313 VanDerWaalsContact O-N 3.08Å; F309-M393 HydrophobicContact CD2-CE 4.12Å; F309-M393 HydrophobicContact CE2-CE 3.68Å
310I94.7Very high96Very high43 Ų4318.5 Ų18.522%0.2219%0.092CC..Hα-helixtrans-63-42.8176.1-68.9165.8000110.8T306 Q307 W312 I313 H314T306-I310 HydrophobicContact CG2-CD1 4.02Å; T306-I310 VanDerWaalsContact O-CG1 3.29Å; T306-I310 WeakPolarHBondContact O-CG1 3.27Å; T306-I310 PolarHBondContact O-N 2.85Å; Q307-I310 PolarHBondContact O-N 2.86Å; I310-W312 VanDerWaalsContact C-N 3.27Å; I310-W312 PolarHBondContact O-N 3.48Å; I310-I313 PolarHBondContact O-N 3.24Å; I310-H314 PolarHBondContact O-N 2.75Å; I310-H314 VanDerWaalsContact O-N 3.14Å; I310-H314 PolarHBondContact O-ND1 3.27Å
311A97.1Very high96Very high0 Ų017.2 Ų17.20%09%0.087CC..Hα-helixtrans-60.1-39175.200000111.5I146 Q307 V308 F309 H314 L315I146-A311 HydrophobicContact CG2-CB 4.34Å; Q307-A311 PolarHBondContact O-N 3.44Å; V308-A311 PolarHBondContact O-N 2.86Å; F309-A311 VanDerWaalsContact C-N 3.34Å; F309-A311 PolarHBondContact O-N 3.16Å; A311-H314 PolarHBondContact O-N 2.99Å; A311-L315 WeakPolarHBondContact O-CB 3.49Å; A311-L315 PolarHBondContact O-N 2.85Å
312W96.9Very high95.9Very high2 Ų217.3 Ų17.31%0.0089%0.088CC..Hα-helixtrans-62.8-41.6175.7-169.844.7000112.9D61 T64 E65 I68 V308 F309 I310 H314 L315 K316 I389D61-W312 PolarHBondContact OD1-NE1 3.04Å; T64-W312 HydrophobicContact CG2-CB 3.67Å; T64-W312 HydrophobicContact CG2-CG 3.93Å; E65-W312 HydrophobicContact CB-CZ2 3.92Å; E65-W312 HydrophobicContact CG-CH2 4.2Å; E65-W312 HydrophobicContact CG-CZ2 3.81Å; I68-W312 HydrophobicContact CD1-CB 3.69Å; I68-W312 HydrophobicContact CD1-CD2 3.77Å; I68-W312 HydrophobicContact CD1-CE3 3.7Å; I68-W312 HydrophobicContact CD1-CG 3.8Å; V308-W312 WeakPolarHBondContact O-CB 3.47Å; V308-W312 PolarHBondContact O-N 3.48Å; F309-W312 HydrophobicContact CD2-CE3 4.17Å; F309-W312 AromaticContact CE2-CE3 3.95Å; F309-W312 HydrophobicContact CE2-CE3 3.95Å; F309-W312 AromaticContact CE2-CZ3 3.98Å; F309-W312 HydrophobicContact CE2-CZ3 3.98Å; F309-W312 WeakPolarHBondContact O-CB 3.24Å; F309-W312 PolarHBondContact O-N 2.91Å; I310-W312 VanDerWaalsContact C-N 3.27Å; I310-W312 PolarHBondContact O-N 3.48Å; W312-H314 VanDerWaalsContact C-N 3.35Å; W312-H314 PolarHBondContact O-N 2.77Å; W312-L315 WeakPolarHBondContact O-CB 3.35Å; W312-L315 PolarHBondContact O-N 2.84Å; W312-K316 VanDerWaalsContact CE2-CE 3.47Å; W312-K316 VanDerWaalsContact CZ2-CE 3.47Å; W312-K316 WeakPolarHBondContact O-CG 3.23Å; W312-K316 PolarHBondContact O-N 2.81Å; W312-I389 HydrophobicContact CE3-CG2 4.49Å; W312-I389 HydrophobicContact CH2-CG2 4.06Å; W312-I389 HydrophobicContact CZ3-CG2 3.75Å
313I96.5Very high95.8Very high7 Ų717.9 Ų17.94%0.0369%0.091CC..Hα-helixtrans-65.3-38.3175.7-58.1-55.7000111.6F37 I123 F126 F309 I310 L315 K316 A317 I389F37-I313 HydrophobicContact CE2-CG2 4.14Å; F37-I313 HydrophobicContact CZ-CG2 4.02Å; I123-I313 HydrophobicContact CD1-CD1 4.5Å; I123-I313 HydrophobicContact CG1-CD1 4.03Å; I123-I313 HydrophobicContact CG1-CG1 4.28Å; F126-I313 HydrophobicContact CD2-CG2 3.48Å; F126-I313 VanDerWaalsContact CD2-CG2 3.48Å; F126-I313 HydrophobicContact CE2-CG2 3.76Å; F126-I313 HydrophobicContact CG-CG2 4.26Å; F309-I313 HydrophobicContact CD1-CG1 4.12Å; F309-I313 HydrophobicContact CE1-CD1 3.91Å; F309-I313 HydrophobicContact CE1-CG1 3.77Å; F309-I313 HydrophobicContact CZ-CD1 4.11Å; F309-I313 HydrophobicContact CZ-CG1 4.45Å; F309-I313 WeakPolarHBondContact O-CG1 3.32Å; F309-I313 PolarHBondContact O-N 3.4Å; F309-I313 VanDerWaalsContact O-N 3.08Å; I310-I313 PolarHBondContact O-N 3.24Å; I313-L315 VanDerWaalsContact C-N 3.32Å; I313-K316 PolarHBondContact O-N 2.87Å; I313-A317 PolarHBondContact O-N 2.89Å; I313-I389 HydrophobicContact CD1-CD1 4.05Å; I313-I389 HydrophobicContact CD1-CG2 4.07Å
314H97.3Very high95.6Very high6 Ų613.9 Ų13.93%0.0287%0.067CC..Hα-helixtrans-64.9-38.2172.8-73.681.7000111.9F126 W128 D129 Y133 I146 I310 A311 W312 A317 L318F126-H314 AromaticContact CE2-CE1 3.85Å; F126-H314 AromaticContact CE2-NE2 3.86Å; W128-H314 AromaticContact CE3-CD2 3.88Å; D129-H314 WeakPolarHBondContact CB-NE2 3.38Å; D129-H314 PolarHBondContact N-NE2 3.5Å; Y133-H314 HydrophobicContact CD2-CB 4.17Å; Y133-H314 AromaticContact CD2-CD2 3.33Å; Y133-H314 WeakPolarHBondContact CD2-CD2 3.27Å; Y133-H314 AromaticContact CD2-CG 3.7Å; Y133-H314 AromaticContact CD2-NE2 3.82Å; Y133-H314 HydrophobicContact CE2-CB 3.88Å; Y133-H314 AromaticContact CE2-CD2 3.58Å; Y133-H314 AromaticContact CE2-CG 3.47Å; Y133-H314 VanDerWaalsContact CE2-CG 3.47Å; Y133-H314 AromaticContact CE2-ND1 3.79Å; Y133-H314 AromaticContact CE2-NE2 3.97Å; I146-H314 HydrophobicContact CD1-CB 4.36Å; I310-H314 PolarHBondContact O-N 2.75Å; I310-H314 VanDerWaalsContact O-N 3.14Å; I310-H314 PolarHBondContact O-ND1 3.27Å; A311-H314 PolarHBondContact O-N 2.99Å; W312-H314 VanDerWaalsContact C-N 3.35Å; W312-H314 PolarHBondContact O-N 2.77Å; H314-A317 WeakPolarHBondContact O-CB 3.42Å; H314-A317 PolarHBondContact O-N 3.39Å; H314-L318 PolarHBondContact O-N 2.97Å
315L97.1Very high95.5Very high0 Ų013.6 Ų13.60%07%0.066CC..Hα-helixtrans-63.7-42.3174.5-170.571.1000111.8L57 L60 D61 I146 A311 W312 I313 A317 L318 R319L57-L315 HydrophobicContact CD2-CD1 3.33Å; L57-L315 HydrophobicContact CD2-CG 4.37Å; L60-L315 HydrophobicContact CB-CD1 4.44Å; L60-L315 HydrophobicContact CB-CD2 4.23Å; L60-L315 HydrophobicContact CD2-CD1 3.69Å; L60-L315 HydrophobicContact CD2-CD2 4.36Å; L60-L315 HydrophobicContact CG-CD1 4.03Å; L60-L315 HydrophobicContact CG-CD2 3.82Å; D61-L315 VanDerWaalsContact CA-CD2 3.44Å; D61-L315 HydrophobicContact CB-CD2 3.92Å; I146-L315 HydrophobicContact CD1-CB 4.32Å; I146-L315 HydrophobicContact CD1-CD1 4.19Å; I146-L315 HydrophobicContact CG2-CD1 4.24Å; A311-L315 WeakPolarHBondContact O-CB 3.49Å; A311-L315 PolarHBondContact O-N 2.85Å; W312-L315 WeakPolarHBondContact O-CB 3.35Å; W312-L315 PolarHBondContact O-N 2.84Å; I313-L315 VanDerWaalsContact C-N 3.32Å; L315-A317 VanDerWaalsContact C-N 3.31Å; L315-A317 PolarHBondContact O-N 2.9Å; L315-L318 WeakPolarHBondContact O-CB 3.37Å; L315-L318 PolarHBondContact O-N 3.19Å; L315-R319 WeakPolarHBondContact O-CG 3.07Å; L315-R319 PolarHBondContact O-N 3.09Å
316K96.3Very high95.2Very high6 Ų616.3 Ų16.33%0.0268%0.08CC..Hα-helixtrans-60.8-40.2171.8-66.2-67.4-170.4-1660111.5L6 D61 W312 I313 R319 V320 F387 H388 I389L6-K316 HydrophobicContact CD2-CB 4.07Å; D61-K316 WeakPolarHBondContact OD1-CD 3.1Å; D61-K316 WeakPolarHBondContact OD1-CE 3.42Å; D61-K316 IonicContact OD1-NZ 2.91Å; D61-K316 PolarHBondContact OD1-NZ 3Å; D61-K316 IonicContact OD2-NZ 2.66Å; D61-K316 PolarHBondContact OD2-NZ 3.3Å; W312-K316 VanDerWaalsContact CE2-CE 3.47Å; W312-K316 VanDerWaalsContact CZ2-CE 3.47Å; W312-K316 WeakPolarHBondContact O-CG 3.23Å; W312-K316 PolarHBondContact O-N 2.81Å; I313-K316 PolarHBondContact O-N 2.87Å; K316-R319 PolarHBondContact O-N 2.97Å; K316-V320 WeakPolarHBondContact O-CG2 3.37Å; K316-V320 PolarHBondContact O-N 3.05Å; K316-F387 HydrophobicContact CD-CB 4.36Å; K316-H388 PolarHBondContact NZ-O 3.16Å; K316-I389 HydrophobicContact CD-CG1 4.44Å; K316-I389 HydrophobicContact CG-CD1 4.44Å; K316-I389 HydrophobicContact CG-CG1 4.21Å
317A97.1Very high95Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-62.5-43.2174.900000112F37 I39 F126 W128 I313 H314 L315 V320 F321F37-A317 HydrophobicContact CE1-CB 3.67Å; F37-A317 HydrophobicContact CZ-CB 4.08Å; I39-A317 HydrophobicContact CD1-CB 4.29Å; I39-A317 HydrophobicContact CG1-CB 4.26Å; F126-A317 HydrophobicContact CE1-CB 4.23Å; F126-A317 HydrophobicContact CZ-CB 3.96Å; W128-A317 HydrophobicContact CE3-CB 4.27Å; W128-A317 HydrophobicContact CZ3-CB 3.99Å; I313-A317 PolarHBondContact O-N 2.89Å; H314-A317 WeakPolarHBondContact O-CB 3.42Å; H314-A317 PolarHBondContact O-N 3.39Å; L315-A317 VanDerWaalsContact C-N 3.31Å; L315-A317 PolarHBondContact O-N 2.9Å; A317-V320 PolarHBondContact O-N 2.84Å; A317-F321 PolarHBondContact O-N 2.8Å
318L96.6Very high94.8Very high0 Ų017.6 Ų17.60%08%0.079CC..Hα-helixtrans-59.8-44.9173-74.8176.9000111.8L42 L57 W128 L139 L142 I146 H314 L315 V320 F321 V322L42-L318 HydrophobicContact CD1-CD2 3.5Å; L57-L318 HydrophobicContact CD1-CB 4.11Å; L57-L318 HydrophobicContact CD2-CB 3.95Å; L57-L318 HydrophobicContact CD2-CD1 4.11Å; W128-L318 HydrophobicContact CH2-CD1 4.49Å; W128-L318 HydrophobicContact CH2-CD2 3.61Å; W128-L318 HydrophobicContact CH2-CG 3.81Å; W128-L318 HydrophobicContact CZ3-CD2 4.27Å; W128-L318 HydrophobicContact CZ3-CG 4.26Å; L139-L318 HydrophobicContact CD2-CD2 3.88Å; L142-L318 HydrophobicContact CB-CD1 4.2Å; L142-L318 HydrophobicContact CD1-CD2 4.2Å; I146-L318 HydrophobicContact CD1-CD1 3.72Å; H314-L318 PolarHBondContact O-N 2.97Å; L315-L318 WeakPolarHBondContact O-CB 3.37Å; L315-L318 PolarHBondContact O-N 3.19Å; L318-V320 PolarHBondContact O-N 2.8Å; L318-F321 PolarHBondContact O-N 2.86Å; L318-V322 WeakPolarHBondContact O-CB 3.03Å; L318-V322 WeakPolarHBondContact O-CG2 3.16Å; L318-V322 PolarHBondContact O-N 2.93Å
319R95.9Very high94.4Very high34 Ų3419 Ų1913%0.1289%0.093CC..Hα-helixtrans-59.5-46.1176.5-72.5-173.471.9-167.4-0.2111.9L57 D61 L315 K316 F321 V322 E323 F387L57-R319 HydrophobicContact CB-CG 3.71Å; L57-R319 HydrophobicContact CD1-CG 4.2Å; L57-R319 HydrophobicContact CG-CG 4.41Å; D61-R319 VanDerWaalsContact CG-NH1 3.35Å; D61-R319 IonicContact OD2-CZ 2.7Å; D61-R319 IonicContact OD2-NH1 2.8Å; D61-R319 PolarHBondContact OD2-NH1 2.89Å; L315-R319 WeakPolarHBondContact O-CG 3.07Å; L315-R319 PolarHBondContact O-N 3.09Å; K316-R319 PolarHBondContact O-N 2.97Å; R319-F321 VanDerWaalsContact C-N 3.33Å; R319-F321 PolarHBondContact O-N 3.1Å; R319-V322 PolarHBondContact O-N 3.29Å; R319-E323 WeakPolarHBondContact O-CB 3.43Å; R319-E323 PolarHBondContact O-N 2.98Å; R319-F387 HydrophobicContact CB-CD2 4.43Å; R319-F387 HydrophobicContact CB-CE1 4.46Å; R319-F387 HydrophobicContact CB-CE2 3.94Å; R319-F387 HydrophobicContact CB-CZ 3.95Å; R319-F387 VanDerWaalsContact NH2-CE1 3.28Å
320V95.6Very high93.9Very high0 Ų024.8 Ų24.80%012%0.124CC..Hα-helixtrans-58.7-46.1174.6172.10000111.5L6 I39 K316 A317 L318 S324 Y334 A336 F387L6-V320 HydrophobicContact CD2-CG2 3.42Å; L6-V320 VanDerWaalsContact CD2-CG2 3.42Å; L6-V320 HydrophobicContact CG-CG2 3.66Å; I39-V320 HydrophobicContact CD1-CB 3.76Å; I39-V320 HydrophobicContact CD1-CG1 3.56Å; K316-V320 WeakPolarHBondContact O-CG2 3.37Å; K316-V320 PolarHBondContact O-N 3.05Å; A317-V320 PolarHBondContact O-N 2.84Å; L318-V320 PolarHBondContact O-N 2.8Å; V320-S324 WeakPolarHBondContact O-CB 3.28Å; V320-S324 PolarHBondContact O-N 3Å; V320-S324 PolarHBondContact O-OG 3.28Å; V320-Y334 HydrophobicContact CG1-CE2 3.97Å; V320-A336 HydrophobicContact CG1-CB 4.05Å; V320-F387 HydrophobicContact CB-CE2 4.46Å; V320-F387 HydrophobicContact CG2-CD2 3.5Å; V320-F387 VanDerWaalsContact CG2-CD2 3.5Å; V320-F387 HydrophobicContact CG2-CE2 3.81Å
321F95.6Very high93.3Very high1 Ų128 Ų280%0.00415%0.148CC..Hα-helixtrans-60.3-54.1179.4-178.6-89.1000110.9I39 L42 V44 L139 A317 L318 R319 E323 S324 V325 V332 Y334I39-F321 HydrophobicContact CG2-CB 4.25Å; I39-F321 HydrophobicContact CG2-CD2 4.26Å; L42-F321 HydrophobicContact CB-CD1 4.14Å; L42-F321 HydrophobicContact CB-CD2 4.33Å; L42-F321 HydrophobicContact CB-CE1 3.77Å; L42-F321 HydrophobicContact CB-CE2 4Å; L42-F321 HydrophobicContact CB-CG 4.41Å; L42-F321 HydrophobicContact CB-CZ 3.71Å; L42-F321 HydrophobicContact CD1-CB 4.2Å; L42-F321 HydrophobicContact CD1-CD1 4.07Å; L42-F321 HydrophobicContact CD1-CD2 4.18Å; L42-F321 HydrophobicContact CD1-CG 3.88Å; L42-F321 HydrophobicContact CG-CD2 4.32Å; L42-F321 HydrophobicContact CG-CE2 4.38Å; L42-F321 HydrophobicContact CG-CG 4.45Å; L42-F321 WeakPolarHBondContact O-CZ 3.01Å; V44-F321 HydrophobicContact CG2-CE1 3.77Å; V44-F321 HydrophobicContact CG2-CZ 3.71Å; L139-F321 HydrophobicContact CD1-CD1 4.33Å; L139-F321 HydrophobicContact CD1-CE1 4.14Å; L139-F321 HydrophobicContact CD2-CD1 4.04Å; L139-F321 HydrophobicContact CD2-CE1 4.2Å; A317-F321 PolarHBondContact O-N 2.8Å; L318-F321 PolarHBondContact O-N 2.86Å; R319-F321 VanDerWaalsContact C-N 3.33Å; R319-F321 PolarHBondContact O-N 3.1Å; F321-E323 PolarHBondContact O-N 2.93Å; F321-S324 WeakPolarHBondContact O-CB 3.26Å; F321-S324 PolarHBondContact O-N 2.92Å; F321-V325 HydrophobicContact CD1-CG2 4.32Å; F321-V325 HydrophobicContact CE1-CG2 3.96Å; F321-V325 HydrophobicContact CZ-CG2 4.1Å; F321-V325 WeakPolarHBondContact O-CG2 3.4Å; F321-V325 PolarHBondContact O-N 2.84Å; F321-V332 HydrophobicContact CE2-CG1 3.93Å; F321-V332 HydrophobicContact CZ-CG1 4.42Å; F321-V332 HydrophobicContact CZ-CG2 4.36Å; F321-Y334 WeakPolarHBondContact CA-OH 3.47Å; F321-Y334 HydrophobicContact CD2-CE1 4.11Å; F321-Y334 WeakPolarHBondContact CD2-OH 3.21Å
322V94.7Very high92.6Very high2 Ų230 Ų301%0.01216%0.16CC..Hα-helixtrans-59.3-48.4-178.1169.80000111.7L50 V53 A54 L57 L139 L318 R319 S324 V325 L326L50-V322 HydrophobicContact CD1-CB 4.16Å; L50-V322 HydrophobicContact CD1-CG1 3.73Å; L50-V322 HydrophobicContact CD1-CG2 3.87Å; L50-V322 HydrophobicContact CG-CG1 4.05Å; V53-V322 HydrophobicContact CG1-CG2 4.11Å; A54-V322 HydrophobicContact CB-CG1 3.69Å; L57-V322 HydrophobicContact CD1-CB 4.2Å; L57-V322 HydrophobicContact CD1-CG2 3.76Å; L139-V322 HydrophobicContact CD1-CG2 3.97Å; L318-V322 WeakPolarHBondContact O-CB 3.03Å; L318-V322 WeakPolarHBondContact O-CG2 3.16Å; L318-V322 PolarHBondContact O-N 2.93Å; R319-V322 PolarHBondContact O-N 3.29Å; V322-S324 VanDerWaalsContact C-N 3.33Å; V322-S324 PolarHBondContact O-N 2.87Å; V322-V325 PolarHBondContact O-N 3.28Å; V322-L326 HydrophobicContact CG1-CD1 3.89Å; V322-L326 HydrophobicContact CG1-CG 4.49Å; V322-L326 WeakPolarHBondContact O-CG 3.38Å; V322-L326 PolarHBondContact O-N 3.2Å
323E92.3Very high92.2Very high72 Ų7234.1 Ų34.134%0.33618%0.182SC..Hα-helixtrans-64.9-37.9179.4-162.768.3-152.800111.5R319 F321 V325 L326 R327 I385 F387R319-E323 WeakPolarHBondContact O-CB 3.43Å; R319-E323 PolarHBondContact O-N 2.98Å; F321-E323 PolarHBondContact O-N 2.93Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 3.16Å; E323-L326 PolarHBondContact O-N 3.27Å; E323-R327 VanDerWaalsContact O-CB 3.23Å; E323-R327 WeakPolarHBondContact O-CB 3.26Å; E323-R327 PolarHBondContact O-N 2.97Å; E323-I385 VanDerWaalsContact C-CD1 3.46Å; E323-I385 HydrophobicContact CB-CD1 3.96Å; E323-I385 HydrophobicContact CB-CG1 4.44Å; E323-I385 HydrophobicContact CB-CG2 4.11Å; E323-I385 HydrophobicContact CG-CB 4.46Å; E323-I385 HydrophobicContact CG-CD1 3.74Å; E323-I385 HydrophobicContact CG-CG1 3.77Å; E323-I385 HydrophobicContact CG-CG2 3.88Å; E323-I385 WeakPolarHBondContact O-CD1 3.43Å; E323-F387 HydrophobicContact CB-CE2 4.39Å; E323-F387 HydrophobicContact CB-CZ 4.15Å; E323-F387 HydrophobicContact CG-CZ 4.3Å
324S92.6Very high92Very high1 Ų135.2 Ų35.21%0.00719%0.186CC..Hα-helixtrans-62.8-41.7175.9-59.50000111.6S8 V320 F321 V322 Y328 I385S8-S324 WeakPolarHBondContact CB-OG 3.42Å; S8-S324 PolarHBondContact OG-OG 2.62Å; V320-S324 WeakPolarHBondContact O-CB 3.28Å; V320-S324 PolarHBondContact O-N 3Å; V320-S324 PolarHBondContact O-OG 3.28Å; F321-S324 WeakPolarHBondContact O-CB 3.26Å; F321-S324 PolarHBondContact O-N 2.92Å; V322-S324 VanDerWaalsContact C-N 3.33Å; V322-S324 PolarHBondContact O-N 2.87Å; S324-Y328 WeakPolarHBondContact O-CA 3.44Å; S324-Y328 VanDerWaalsContact O-CB 3.27Å; S324-Y328 WeakPolarHBondContact O-CB 3.25Å; S324-Y328 WeakPolarHBondContact O-CD2 3.38Å; S324-Y328 PolarHBondContact O-N 3.44Å; S324-I385 VanDerWaalsContact CA-CD1 3.48Å
325V92.7Very high91.7Very high9 Ų936.6 Ų36.66%0.05519%0.192CC..Hα-helixtrans-68.3-42.6177.4178.40000111.2V44 L50 F321 V322 E323 R327 G329 L330 V332V44-V325 HydrophobicContact CG1-CG1 4.07Å; V44-V325 HydrophobicContact CG2-CG2 4.32Å; L50-V325 HydrophobicContact CD2-CB 3.93Å; L50-V325 HydrophobicContact CD2-CG1 3.51Å; F321-V325 HydrophobicContact CD1-CG2 4.32Å; F321-V325 HydrophobicContact CE1-CG2 3.96Å; F321-V325 HydrophobicContact CZ-CG2 4.1Å; F321-V325 WeakPolarHBondContact O-CG2 3.4Å; F321-V325 PolarHBondContact O-N 2.84Å; V322-V325 PolarHBondContact O-N 3.28Å; E323-V325 VanDerWaalsContact C-N 3.33Å; E323-V325 PolarHBondContact O-N 3.16Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3.33Å; V325-G329 VanDerWaalsContact O-CA 3.24Å; V325-G329 WeakPolarHBondContact O-CA 3.41Å; V325-G329 PolarHBondContact O-N 3.46Å; V325-L330 HydrophobicContact CG1-CD2 4Å; V325-V332 HydrophobicContact CG2-CB 4.44Å; V325-V332 HydrophobicContact CG2-CG1 3.96Å; V325-V332 HydrophobicContact CG2-CG2 3.68Å
326L90.9Very high91.6Very high58 Ų5836.8 Ų36.830%0.30419%0.194SC..Hα-helixtrans-64.4-37.9177.7-72.3170.9000112.3L47 L50 V51 A54 V322 E323L47-L326 HydrophobicContact CD1-CD2 3.67Å; L50-L326 HydrophobicContact CB-CD2 4.27Å; L50-L326 HydrophobicContact CD2-CD2 3.59Å; L50-L326 HydrophobicContact CD2-CG 3.72Å; L50-L326 HydrophobicContact CG-CD1 4.4Å; L50-L326 HydrophobicContact CG-CD2 3.83Å; L50-L326 HydrophobicContact CG-CG 3.91Å; V51-L326 HydrophobicContact CG2-CD2 3.98Å; A54-L326 HydrophobicContact CB-CD1 3.88Å; V322-L326 HydrophobicContact CG1-CD1 3.89Å; V322-L326 HydrophobicContact CG1-CG 4.49Å; V322-L326 WeakPolarHBondContact O-CG 3.38Å; V322-L326 PolarHBondContact O-N 3.2Å; E323-L326 PolarHBondContact O-N 3.27Å
327R89.2Confident91.5Very high72 Ų7236.5 Ų36.527%0.27219%0.193SC..Hα-helixtrans-88.7-39.9-174.9-166.8174.6-175.9156.48.1114.1E323 V325 S382 S383 Y384 I385E323-R327 VanDerWaalsContact O-CB 3.23Å; E323-R327 WeakPolarHBondContact O-CB 3.26Å; E323-R327 PolarHBondContact O-N 2.97Å; V325-R327 VanDerWaalsContact C-N 3.34Å; V325-R327 PolarHBondContact O-N 3.33Å; R327-S382 PolarHBondContact NH1-O 3.13Å; R327-S382 PolarHBondContact NH2-O 3.05Å; R327-S383 VanDerWaalsContact CZ-O 3.28Å; R327-S383 PolarHBondContact NH2-O 3.32Å; R327-Y384 VanDerWaalsContact NH1-C 3.31Å; R327-Y384 PolarHBondContact NH1-O 2.9Å; R327-I385 HydrophobicContact CB-CD1 4.17Å
328Y89.7Confident91.4Very high54 Ų5436.6 Ų36.621%0.21219%0.193CC..Hα-helixtrans-102.1-11.8-174.7-50.7-41.3000113.2S8 P10 S324 I385S8-Y328 PolarHBondContact O-OH 3.19Å; P10-Y328 HydrophobicContact CB-CD1 4.21Å; P10-Y328 HydrophobicContact CB-CD2 4.28Å; P10-Y328 HydrophobicContact CB-CG 4.1Å; P10-Y328 HydrophobicContact CG-CD1 4.15Å; P10-Y328 HydrophobicContact CG-CE1 4.08Å; S324-Y328 WeakPolarHBondContact O-CA 3.44Å; S324-Y328 VanDerWaalsContact O-CB 3.27Å; S324-Y328 WeakPolarHBondContact O-CB 3.25Å; S324-Y328 WeakPolarHBondContact O-CD2 3.38Å; S324-Y328 PolarHBondContact O-N 3.44Å; Y328-I385 HydrophobicContact CE2-CD1 3.76Å
329G87.3Confident91.2Very high29 Ų2936.6 Ų36.630%0.29919%0.193SC..  trans76.2-165.4178.300000113.8V325V325-G329 VanDerWaalsContact O-CA 3.24Å; V325-G329 WeakPolarHBondContact O-CA 3.41Å; V325-G329 PolarHBondContact O-N 3.46Å
330L85.2Confident90.9Very high124 Ų12437.6 Ų37.665%0.64920%0.199SC*.SBendtrans-107.5147.2178.2-65.4177.4000110.6V325 V332V325-L330 HydrophobicContact CG1-CD2 4Å; L330-V332 HydrophobicContact CD2-CG2 3.47Å; L330-V332 VanDerWaalsContact CD2-CG2 3.47Å
331P82.9Confident90.4Very high112 Ų11237.7 Ų37.773%0.72720%0.2SC*.SBendcis-68.7152.2-1.630.1-35.9000112.6N333P331-N333 PolarHBondContact O-N 2.82Å
332V82.4Confident89.7Confident42 Ų4239.7 Ų39.726%0.25521%0.21SC..  trans-65.295.4-178.2-171.70000109.6V44 F321 V325 L330 Y334V44-V332 HydrophobicContact CG2-CG2 4.26Å; F321-V332 HydrophobicContact CE2-CG1 3.93Å; F321-V332 HydrophobicContact CZ-CG1 4.42Å; F321-V332 HydrophobicContact CZ-CG2 4.36Å; V325-V332 HydrophobicContact CG2-CB 4.44Å; V325-V332 HydrophobicContact CG2-CG1 3.96Å; V325-V332 HydrophobicContact CG2-CG2 3.68Å; L330-V332 HydrophobicContact CD2-CG2 3.47Å; L330-V332 VanDerWaalsContact CD2-CG2 3.47Å; V332-Y334 HydrophobicContact CG1-CD1 3.49Å; V332-Y334 VanDerWaalsContact CG1-CD1 3.49Å; V332-Y334 HydrophobicContact CG1-CE1 3.34Å
333N87.6Confident88.7Confident87 Ų8745.4 Ų45.447%0.46523%0.232SC..  trans-129.977.7-172-164.825.5000110.9L11 P331L11-N333 VanDerWaalsContact CB-OD1 3.28Å; L11-N333 WeakPolarHBondContact CB-OD1 3.28Å; L11-N333 WeakPolarHBondContact CD1-OD1 3.06Å; L11-N333 PolarHBondContact N-O 3.24Å; P331-N333 PolarHBondContact O-N 2.82Å
334Y92.7Very high88.1Confident31 Ų3151 Ų5112%0.12226%0.255CS..EExtended strand (participates in β ladder)trans-137162.8-178.275.4-93.5000111.9S8 V9 L11 I39 V320 F321 V332 A336S8-Y334 WeakPolarHBondContact OG-CD2 3.32Å; V9-Y334 CarbonylContact O-C 3.45Å; V9-Y334 VanDerWaalsContact O-CA 3.26Å; V9-Y334 WeakPolarHBondContact O-CA 3.4Å; V9-Y334 WeakPolarHBondContact O-CB 3.5Å; L11-Y334 WeakPolarHBondContact CD1-O 3.17Å; I39-Y334 HydrophobicContact CD1-CE2 4.29Å; V320-Y334 HydrophobicContact CG1-CE2 3.97Å; F321-Y334 WeakPolarHBondContact CA-OH 3.47Å; F321-Y334 HydrophobicContact CD2-CE1 4.11Å; F321-Y334 WeakPolarHBondContact CD2-OH 3.21Å; V332-Y334 HydrophobicContact CG1-CD1 3.49Å; V332-Y334 VanDerWaalsContact CG1-CD1 3.49Å; V332-Y334 HydrophobicContact CG1-CE1 3.34Å; Y334-A336 HydrophobicContact CE2-CB 4.11Å
335Q92.3Very high87.5Confident34 Ų3456.1 Ų56.116%0.15927%0.274CS..EExtended strand (participates in β ladder)trans-121.1121.2171.1-177.9167.928.100110.2V9 L11 L337V9-Q335 HydrophobicContact CG2-CB 4.45Å; V9-Q335 PolarHBondContact N-O 3.42Å; V9-Q335 PolarHBondContact O-N 2.86Å; L11-Q335 HydrophobicContact CD2-CB 3.84Å; L11-Q335 HydrophobicContact CG-CB 4.31Å; Q335-L337 HydrophobicContact CG-CD2 4.12Å; Q335-L337 HydrophobicContact CG-CG 4.3Å
336A94.8Very high87Confident5 Ų557.1 Ų57.14%0.04128%0.282CS..EExtended strand (participates in β ladder)trans-86.8137.516900000111.3I7 F37 I39 V320 Y334I7-A336 CarbonylContact O-C 3.57Å; I7-A336 VanDerWaalsContact O-CA 3.27Å; I7-A336 WeakPolarHBondContact O-CA 3.49Å; F37-A336 HydrophobicContact CB-CB 4.09Å; F37-A336 HydrophobicContact CD1-CB 4.27Å; F37-A336 PolarHBondContact N-O 3.27Å; I39-A336 HydrophobicContact CD1-CB 3.89Å; I39-A336 HydrophobicContact CG1-CB 4.42Å; V320-A336 HydrophobicContact CG1-CB 4.05Å; Y334-A336 HydrophobicContact CE2-CB 4.11Å
337L94.4Very high86.7Confident0 Ų061.6 Ų61.60%030%0.299CS..EExtended strand (participates in β ladder)trans-130137.5178.4-57.5163.3000109.3I7 V19 W35 Q335I7-L337 HydrophobicContact CD1-CB 4.15Å; I7-L337 HydrophobicContact CD1-CD1 3.98Å; I7-L337 HydrophobicContact CG1-CB 3.72Å; I7-L337 HydrophobicContact CG1-CD1 4.37Å; I7-L337 PolarHBondContact N-O 3.19Å; I7-L337 PolarHBondContact O-N 3.16Å; V19-L337 HydrophobicContact CB-CD1 4.47Å; V19-L337 HydrophobicContact CG1-CD1 3.74Å; V19-L337 HydrophobicContact CG2-CD1 3.87Å; W35-L337 CarbonylContact O-C 3.51Å; W35-L337 WeakPolarHBondContact O-CA 3.33Å; Q335-L337 HydrophobicContact CG-CD2 4.12Å; Q335-L337 HydrophobicContact CG-CG 4.3Å
338L94.4Very high86.6Confident1 Ų164.1 Ų64.11%0.00531%0.312CS..EExtended strand (participates in β ladder)trans-98.4120.6170.8179.376.8000108.3F4 C34 W35 F37 I123 T124F4-L338 HydrophobicContact CB-CD1 4.02Å; F4-L338 HydrophobicContact CD1-CD1 3.92Å; F4-L338 HydrophobicContact CD1-CD2 4.02Å; F4-L338 HydrophobicContact CD1-CG 4.02Å; F4-L338 HydrophobicContact CE1-CD2 4.38Å; F4-L338 HydrophobicContact CG-CD1 4.39Å; C34-L338 CarbonylContact C-O 3.6Å; C34-L338 WeakPolarHBondContact CA-O 2.97Å; W35-L338 HydrophobicContact CB-CB 4.5Å; W35-L338 HydrophobicContact CE3-CB 4.44Å; W35-L338 HydrophobicContact CE3-CD2 3.82Å; W35-L338 HydrophobicContact CE3-CG 4.16Å; W35-L338 HydrophobicContact CZ3-CD2 4.27Å; W35-L338 PolarHBondContact N-O 3.3Å; W35-L338 PolarHBondContact O-N 3.48Å; F37-L338 HydrophobicContact CB-CB 4.42Å; F37-L338 HydrophobicContact CD2-CB 4.38Å; I123-L338 HydrophobicContact CG2-CD1 3.89Å; I123-L338 HydrophobicContact CG2-CD2 3.62Å; I123-L338 HydrophobicContact CG2-CG 4.39Å; T124-L338 HydrophobicContact CG2-CD2 4.19Å
339L92.1Very high86.5Confident0 Ų061.6 Ų61.60%030%0.302CS..EExtended strand (participates in β ladder)trans-106.7131.2174.5-53.4177.8000109.2F4 W5 I7 L22 I26 S33 C34 L349 L353F4-L339 CarbonylContact C-O 3.55Å; F4-L339 VanDerWaalsContact CA-O 3.29Å; F4-L339 WeakPolarHBondContact CA-O 3.47Å; W5-L339 HydrophobicContact CB-CB 4.3Å; W5-L339 PolarHBondContact N-O 3.42Å; W5-L339 PolarHBondContact O-N 3.08Å; I7-L339 HydrophobicContact CD1-CD1 3.81Å; I7-L339 HydrophobicContact CD1-CG 4.3Å; I7-L339 HydrophobicContact CG1-CD1 4.22Å; I7-L339 HydrophobicContact CG1-CG 4.36Å; I7-L339 HydrophobicContact CG2-CD1 4.16Å; L22-L339 HydrophobicContact CD2-CD1 4.42Å; L22-L339 HydrophobicContact CD2-CD2 4.33Å; I26-L339 HydrophobicContact CD1-CD2 3.92Å; S33-L339 CarbonylContact O-C 3.58Å; S33-L339 WeakPolarHBondContact O-CA 3.33Å; C34-L339 HydrophobicContact CB-CD2 3.69Å; C34-L339 VanDerWaalsContact SG-CD2 3.51Å; L339-L349 HydrophobicContact CD1-CD2 4.42Å; L339-L353 HydrophobicContact CD1-CD1 3.83Å; L339-L353 HydrophobicContact CD1-CD2 4.06Å; L339-L353 HydrophobicContact CD1-CG 4.5Å
340E89.3Confident86.5Confident55 Ų5563.3 Ų63.326%0.25730%0.301SS..EExtended strand (participates in β ladder)trans-102.1129.1165.8173.5-174.8-146.700108.2A2 F4 G32 S33 W35A2-E340 HydrophobicContact CB-CG 4.05Å; A2-E340 WeakPolarHBondContact CB-OE1 3.3Å; F4-E340 HydrophobicContact CD1-CB 4.05Å; F4-E340 HydrophobicContact CE1-CB 3.76Å; F4-E340 HydrophobicContact CE1-CG 4.06Å; F4-E340 HydrophobicContact CZ-CB 4.37Å; F4-E340 HydrophobicContact CZ-CG 4.16Å; G32-E340 CarbonylContact C-O 3.42Å; G32-E340 WeakPolarHBondContact CA-O 3.24Å; S33-E340 PolarHBondContact N-O 3.14Å; S33-E340 PolarHBondContact O-N 2.87Å; S33-E340 PolarHBondContact OG-OE2 3.29Å; W35-E340 HydrophobicContact CH2-CB 3.84Å; W35-E340 WeakPolarHBondContact CH2-OE2 3.45Å; W35-E340 HydrophobicContact CZ3-CB 3.55Å
341T84.9Confident86.6Confident2 Ų262.8 Ų62.81%0.01230%0.295CS..EExtended strand (participates in β ladder)trans-133.3153.8175.4-178.20000111.5A2 D3 W5 L349A2-T341 WeakPolarHBondContact CA-O 3.08Å; D3-T341 PolarHBondContact N-O 3.34Å; D3-T341 PolarHBondContact O-N 3.38Å; W5-T341 HydrophobicContact CD2-CG2 4.17Å; W5-T341 HydrophobicContact CZ2-CG2 3.98Å; T341-L349 HydrophobicContact CG2-CD2 4.01Å
342D81.1Confident86.9Confident43 Ų4360.3 Ų60.323%0.2327%0.274CS..EExtended strand (participates in β ladder)trans-76138164.9-159.6-49.8000110.3M1 K344 R345 S346M1-D342 PolarHBondContact N-OD1 3.1Å; M1-D342 PolarHBondContact N-OD2 3.08Å; M1-D342 CarbonylContact O-C 3.48Å; M1-D342 WeakPolarHBondContact O-CA 3.41Å; D342-K344 PolarHBondContact O-N 3.48Å; D342-K344 VanDerWaalsContact O-N 3.14Å; D342-K344 PolarHBondContact OD1-N 2.53Å; D342-K344 VanDerWaalsContact OD1-N 3.09Å; D342-R345 CarbonylContact O-C 3.5Å; D342-R345 WeakPolarHBondContact O-CA 3.44Å; D342-R345 PolarHBondContact O-N 3.44Å; D342-S346 PolarHBondContact O-N 3.42Å
343R74.6Confident87.1Confident122 Ų12258.3 Ų58.346%0.4626%0.262SS..Hα-helixtrans-42.4-43.3166.7-85.5-174.6158.5-156.4-8.1113.9M1 D3 R345 S346M1-R343 HydrophobicContact CB-CB 4.18Å; M1-R343 HydrophobicContact CB-CG 4Å; M1-R343 HydrophobicContact CE-CB 4.25Å; M1-R343 HydrophobicContact CE-CG 4.45Å; M1-R343 PolarHBondContact O-N 3.48Å; D3-R343 WeakPolarHBondContact OD2-CG 3.46Å; D3-R343 IonicContact OD2-NE 3.47Å; D3-R343 PolarHBondContact OD2-NE 3.03Å; R343-R345 PolarHBondContact O-N 3.42Å; R343-S346 WeakPolarHBondContact O-CB 3.4Å; R343-S346 PolarHBondContact O-N 3.04Å; R343-S346 PolarHBondContact O-OG 2.87Å
344K79.1Confident87.2Confident191 Ų19156.3 Ų56.383%0.8326%0.255SS*.Hα-helixtrans-63.9-28.8179.4-66.2-175.1-179.3-178.60113.2D342D342-K344 PolarHBondContact O-N 3.48Å; D342-K344 VanDerWaalsContact O-N 3.14Å; D342-K344 PolarHBondContact OD1-N 2.53Å; D342-K344 VanDerWaalsContact OD1-N 3.09Å
345R79.4Confident87Confident107 Ų10758.9 Ų58.940%0.40428%0.278SS..Hα-helixtrans-104.9-6.5-175.3-65-177.8-69-158.5-1113.2H30 L31 D342 R343 K347 K348 L349H30-R345 VanDerWaalsContact O-CZ 3.24Å; H30-R345 PolarHBondContact O-NH1 3.33Å; L31-R345 HydrophobicContact CD2-CB 4.02Å; D342-R345 CarbonylContact O-C 3.5Å; D342-R345 WeakPolarHBondContact O-CA 3.44Å; D342-R345 PolarHBondContact O-N 3.44Å; R343-R345 PolarHBondContact O-N 3.42Å; R345-K347 VanDerWaalsContact C-N 3.32Å; R345-K347 PolarHBondContact O-N 2.93Å; R345-K348 PolarHBondContact O-N 3.44Å; R345-K348 VanDerWaalsContact O-N 3.16Å; R345-L349 PolarHBondContact O-N 3.06Å; R345-L349 VanDerWaalsContact O-N 3.08Å
346S82.1Confident86.8Confident31 Ų3158.3 Ų58.322%0.21728%0.275CS..Hα-helixtrans-52-45.7-179.963.20000112.8W5 D342 R343 K348 L349 K350W5-S346 VanDerWaalsContact CH2-O 3.25Å; W5-S346 WeakPolarHBondContact CH2-O 3.45Å; D342-S346 PolarHBondContact O-N 3.42Å; R343-S346 WeakPolarHBondContact O-CB 3.4Å; R343-S346 PolarHBondContact O-N 3.04Å; R343-S346 PolarHBondContact O-OG 2.87Å; S346-K348 PolarHBondContact O-N 3.22Å; S346-L349 PolarHBondContact O-N 2.94Å; S346-K350 PolarHBondContact O-N 2.65Å
347K85.9Confident86.6Confident152 Ų15258 Ų5866%0.66127%0.273SS*.Hα-helixtrans-58.9-46.2179.6-169.7-179.6177.8-176.40112.2R345 L349 K350 E351R345-K347 VanDerWaalsContact C-N 3.32Å; R345-K347 PolarHBondContact O-N 2.93Å; K347-L349 PolarHBondContact O-N 3.49Å; K347-K350 WeakPolarHBondContact O-CB 2.99Å; K347-K350 PolarHBondContact O-N 3.4Å; K347-E351 WeakPolarHBondContact CE-OE1 3.18Å; K347-E351 WeakPolarHBondContact O-CG 3.09Å; K347-E351 PolarHBondContact O-N 3.38Å
348K86.7Confident86.3Confident124 Ų12461.9 Ų61.954%0.53930%0.296SS..Hα-helixtrans-65.2-38.4178.1-175.5169.6176.2-179.40112.1L31 R345 S346 E351 E352L31-K348 HydrophobicContact CD2-CB 4.29Å; L31-K348 HydrophobicContact CD2-CD 4.04Å; L31-K348 HydrophobicContact CD2-CG 4.13Å; R345-K348 PolarHBondContact O-N 3.44Å; R345-K348 VanDerWaalsContact O-N 3.16Å; S346-K348 PolarHBondContact O-N 3.22Å; K348-E351 PolarHBondContact O-N 3.17Å; K348-E352 PolarHBondContact O-N 3.19Å; K348-E352 VanDerWaalsContact O-N 3.07Å
349L86.7Confident85.8Confident2 Ų265.6 Ų65.61%0.0131%0.314CS..Hα-helixtrans-65.9-39.9174-178.262.5000111.8W5 L22 I26 L339 T341 R345 S346 K347 E352 L353W5-L349 HydrophobicContact CE3-CD2 4.02Å; W5-L349 HydrophobicContact CE3-CG 4.38Å; W5-L349 HydrophobicContact CZ3-CB 4.28Å; W5-L349 HydrophobicContact CZ3-CD2 4.03Å; W5-L349 HydrophobicContact CZ3-CG 4Å; L22-L349 HydrophobicContact CD1-CD1 4.24Å; I26-L349 HydrophobicContact CD1-CD1 4.47Å; I26-L349 HydrophobicContact CG1-CD1 4.41Å; L339-L349 HydrophobicContact CD1-CD2 4.42Å; T341-L349 HydrophobicContact CG2-CD2 4.01Å; R345-L349 PolarHBondContact O-N 3.06Å; R345-L349 VanDerWaalsContact O-N 3.08Å; S346-L349 PolarHBondContact O-N 2.94Å; K347-L349 PolarHBondContact O-N 3.49Å; L349-E352 PolarHBondContact O-N 3.2Å; L349-L353 HydrophobicContact CD1-CD1 4.4Å; L349-L353 HydrophobicContact CD1-CG 4.32Å; L349-L353 HydrophobicContact CG-CD1 4.05Å; L349-L353 HydrophobicContact CG-CG 4.42Å; L349-L353 WeakPolarHBondContact O-CB 3.35Å; L349-L353 VanDerWaalsContact O-CG 3.3Å; L349-L353 WeakPolarHBondContact O-CG 3.48Å; L349-L353 PolarHBondContact O-N 2.99Å
350K87.3Confident85.5Confident65 Ų6566.8 Ų66.828%0.28332%0.32SS..Hα-helixtrans-60.3-45.8175.3-164.9168.9-179.3167.90110.9W5 S346 K347 L353 S354 E380W5-K350 HydrophobicContact CH2-CB 3.95Å; W5-K350 HydrophobicContact CZ3-CB 4.16Å; S346-K350 PolarHBondContact O-N 2.65Å; K347-K350 WeakPolarHBondContact O-CB 2.99Å; K347-K350 PolarHBondContact O-N 3.4Å; K350-L353 PolarHBondContact O-N 3.18Å; K350-S354 WeakPolarHBondContact O-CB 3.39Å; K350-S354 PolarHBondContact O-N 3.29Å; K350-S354 PolarHBondContact O-OG 3.05Å; K350-E380 VanDerWaalsContact NZ-CD 3.29Å; K350-E380 IonicContact NZ-OE1 2.87Å; K350-E380 PolarHBondContact NZ-OE1 2.86Å; K350-E380 IonicContact NZ-OE2 3.29Å; K350-E380 PolarHBondContact NZ-OE2 3.24Å
351E88Confident85.1Confident112 Ų11265.6 Ų65.652%0.52332%0.315SS..Hα-helixtrans-59.8-46.1176.6-72165.8-171.900112.1K347 K348 S354 S355K347-E351 WeakPolarHBondContact CE-OE1 3.18Å; K347-E351 WeakPolarHBondContact O-CG 3.09Å; K347-E351 PolarHBondContact O-N 3.38Å; K348-E351 PolarHBondContact O-N 3.17Å; E351-S354 PolarHBondContact O-N 3.01Å; E351-S355 PolarHBondContact O-N 3.1Å
352E88.6Confident84.2Confident60 Ų6069.6 Ų69.628%0.2834%0.341SS..Hα-helixtrans-62.5-46.8177-175.571.5-171.700111.9L22 T25 K348 L349 S354 S355 L356L22-E352 HydrophobicContact CD1-CG 4.49Å; T25-E352 HydrophobicContact CG2-CG 4.19Å; T25-E352 PolarHBondContact OG1-OE1 2.64Å; K348-E352 PolarHBondContact O-N 3.19Å; K348-E352 VanDerWaalsContact O-N 3.07Å; L349-E352 PolarHBondContact O-N 3.2Å; E352-S354 PolarHBondContact O-N 2.88Å; E352-S355 PolarHBondContact O-N 3.3Å; E352-L356 HydrophobicContact CG-CD1 3.96Å; E352-L356 HydrophobicContact CG-CG 4.5Å; E352-L356 WeakPolarHBondContact O-CB 3.47Å; E352-L356 WeakPolarHBondContact O-CG 3.35Å; E352-L356 PolarHBondContact O-N 3.15Å
353L88.1Confident83.4Confident0 Ų070.8 Ų70.80%035%0.35CS..Hα-helixtrans-61.5-43.8177.7-73.5170.2000111.6W5 I7 L22 L339 L349 K350 S355 L356 F357 Y384W5-L353 HydrophobicContact CE3-CD1 3.88Å; W5-L353 HydrophobicContact CZ3-CD1 3.93Å; I7-L353 HydrophobicContact CD1-CD2 4.13Å; L22-L353 HydrophobicContact CD1-CD2 3.7Å; L22-L353 HydrophobicContact CD1-CG 4.36Å; L22-L353 HydrophobicContact CD2-CD2 3.54Å; L22-L353 HydrophobicContact CG-CD2 4.26Å; L339-L353 HydrophobicContact CD1-CD1 3.83Å; L339-L353 HydrophobicContact CD1-CD2 4.06Å; L339-L353 HydrophobicContact CD1-CG 4.5Å; L349-L353 HydrophobicContact CD1-CD1 4.4Å; L349-L353 HydrophobicContact CD1-CG 4.32Å; L349-L353 HydrophobicContact CG-CD1 4.05Å; L349-L353 HydrophobicContact CG-CG 4.42Å; L349-L353 WeakPolarHBondContact O-CB 3.35Å; L349-L353 VanDerWaalsContact O-CG 3.3Å; L349-L353 WeakPolarHBondContact O-CG 3.48Å; L349-L353 PolarHBondContact O-N 2.99Å; K350-L353 PolarHBondContact O-N 3.18Å; L353-S355 VanDerWaalsContact C-N 3.31Å; L353-S355 PolarHBondContact O-N 2.91Å; L353-L356 PolarHBondContact O-N 2.94Å; L353-F357 HydrophobicContact CD2-CD2 4.19Å; L353-F357 HydrophobicContact CD2-CE2 3.85Å; L353-F357 WeakPolarHBondContact O-CD2 3.45Å; L353-F357 PolarHBondContact O-N 3.26Å; L353-Y384 HydrophobicContact CB-CE1 3.71Å; L353-Y384 HydrophobicContact CB-CE2 4.26Å; L353-Y384 VanDerWaalsContact CB-CZ 3.49Å; L353-Y384 VanDerWaalsContact CB-OH 3.24Å; L353-Y384 WeakPolarHBondContact CB-OH 3.27Å; L353-Y384 HydrophobicContact CD1-CE2 4.14Å
354S87.9Confident82.5Confident46 Ų4667.4 Ų67.432%0.32235%0.349SS..Hα-helixtrans-61.8-39.1176.2-65.80000111.9K350 E351 E352 V358K350-S354 WeakPolarHBondContact O-CB 3.39Å; K350-S354 PolarHBondContact O-N 3.29Å; K350-S354 PolarHBondContact O-OG 3.05Å; E351-S354 PolarHBondContact O-N 3.01Å; E352-S354 PolarHBondContact O-N 2.88Å; S354-V358 WeakPolarHBondContact O-CB 3.45Å; S354-V358 PolarHBondContact O-N 3.23Å; S354-V358 VanDerWaalsContact O-N 3.15Å
355S89.6Confident80.8Confident85 Ų8564 Ų6459%0.59435%0.349SS*.Hα-helixtrans-66.3-43.5175.8-179.70000112.6E351 E352 L353E351-S355 PolarHBondContact O-N 3.1Å; E352-S355 PolarHBondContact O-N 3.3Å; L353-S355 VanDerWaalsContact C-N 3.31Å; L353-S355 PolarHBondContact O-N 2.91Å
356L88.6Confident79.2Confident21 Ų2165.4 Ų65.411%0.1136%0.361CS..Hα-helixtrans-73.2-26.5-175.8-73.2175000114.2S18 K21 L22 E352 L353S18-L356 WeakPolarHBondContact CB-O 3.33Å; S18-L356 PolarHBondContact OG-O 3.41Å; K21-L356 HydrophobicContact CB-CD2 4.01Å; K21-L356 HydrophobicContact CD-CD2 4.18Å; L22-L356 HydrophobicContact CB-CD1 3.76Å; L22-L356 HydrophobicContact CD1-CD1 4.06Å; L22-L356 HydrophobicContact CG-CD1 4.5Å; E352-L356 HydrophobicContact CG-CD1 3.96Å; E352-L356 HydrophobicContact CG-CG 4.5Å; E352-L356 WeakPolarHBondContact O-CB 3.47Å; E352-L356 WeakPolarHBondContact O-CG 3.35Å; E352-L356 PolarHBondContact O-N 3.15Å; L353-L356 PolarHBondContact O-N 2.94Å
357F89.1Confident77.1Confident0 Ų073 Ų730%039%0.39CS..THydrogen-bonded Turntrans-118.816.4-174.3-62.7-66.2000113.6V9 V19 L22 L353 H359 L360 S383 Y384V9-F357 HydrophobicContact CB-CE1 4.12Å; V9-F357 HydrophobicContact CG1-CD1 3.87Å; V9-F357 HydrophobicContact CG1-CD2 4.48Å; V9-F357 HydrophobicContact CG1-CE1 3.55Å; V9-F357 HydrophobicContact CG1-CE2 4.2Å; V9-F357 HydrophobicContact CG1-CG 4.35Å; V9-F357 HydrophobicContact CG1-CZ 3.74Å; V19-F357 HydrophobicContact CG2-CE1 4.25Å; V19-F357 HydrophobicContact CG2-CZ 3.9Å; L22-F357 HydrophobicContact CD2-CE2 4.38Å; L353-F357 HydrophobicContact CD2-CD2 4.19Å; L353-F357 HydrophobicContact CD2-CE2 3.85Å; L353-F357 WeakPolarHBondContact O-CD2 3.45Å; L353-F357 PolarHBondContact O-N 3.26Å; F357-H359 PolarHBondContact O-N 2.76Å; F357-H359 VanDerWaalsContact O-N 3.17Å; F357-L360 HydrophobicContact CB-CD1 4.14Å; F357-L360 HydrophobicContact CD1-CD1 3.92Å; F357-L360 HydrophobicContact CG-CD1 4.38Å; F357-L360 WeakPolarHBondContact O-CB 3.09Å; F357-L360 PolarHBondContact O-N 2.78Å; F357-S383 WeakPolarHBondContact O-CB 3.33Å; F357-Y384 HydrophobicContact CB-CD1 3.84Å; F357-Y384 HydrophobicContact CB-CG 4.37Å; F357-Y384 HydrophobicContact CD2-CD1 4.26Å; F357-Y384 HydrophobicContact CD2-CG 4.47Å; F357-Y384 HydrophobicContact CG-CD1 4.43Å
358V88.1Confident74.7Confident80 Ų8075 Ų7549%0.48540%0.402SS..G310 helixtrans-57-30.3177.769.60000112.8S354 L360 D361S354-V358 WeakPolarHBondContact O-CB 3.45Å; S354-V358 PolarHBondContact O-N 3.23Å; S354-V358 VanDerWaalsContact O-N 3.15Å; V358-L360 PolarHBondContact O-N 3.42Å; V358-D361 VanDerWaalsContact O-CB 3.27Å; V358-D361 WeakPolarHBondContact O-CB 3.16Å; V358-D361 PolarHBondContact O-N 2.9Å; V358-D361 VanDerWaalsContact O-N 3.1Å
359H85.1Confident72.2Confident79 Ų7974.2 Ų74.237%0.36641%0.408SS..G310 helixtrans-66.4-15.1178.867.1-76.8000113.8S15 F357 D361S15-H359 PolarHBondContact OG-NE2 2.88Å; S15-H359 VanDerWaalsContact OG-NE2 3.08Å; F357-H359 PolarHBondContact O-N 2.76Å; F357-H359 VanDerWaalsContact O-N 3.17Å; H359-D361 VanDerWaalsContact C-N 3.3Å
360L85.3Confident69.5Low26 Ų2679.1 Ų79.114%0.13644%0.442CS..G310 helixtrans-881.3176.4-60.7-178.9000112.9P10 F357 V358 P362 S383P10-L360 HydrophobicContact CG-CD1 4.18Å; P10-L360 HydrophobicContact CG-CD2 3.51Å; F357-L360 HydrophobicContact CB-CD1 4.14Å; F357-L360 HydrophobicContact CD1-CD1 3.92Å; F357-L360 HydrophobicContact CG-CD1 4.38Å; F357-L360 WeakPolarHBondContact O-CB 3.09Å; F357-L360 PolarHBondContact O-N 2.78Å; V358-L360 PolarHBondContact O-N 3.42Å; L360-P362 WeakPolarHBondContact O-CD 3.5Å; L360-S383 CarbonylContact C-O 3.57Å; L360-S383 WeakPolarHBondContact CB-O 3.4Å
361D80.1Confident67Low29 Ų2980.9 Ų80.916%0.15546%0.462CS..  trans-79.5108.9175.9-167.3-13.7000111V358 H359 T363 A364 Y381V358-D361 VanDerWaalsContact O-CB 3.27Å; V358-D361 WeakPolarHBondContact O-CB 3.16Å; V358-D361 PolarHBondContact O-N 2.9Å; V358-D361 VanDerWaalsContact O-N 3.1Å; H359-D361 VanDerWaalsContact C-N 3.3Å; D361-T363 VanDerWaalsContact CG-OG1 3.24Å; D361-T363 PolarHBondContact O-N 3.33Å; D361-T363 WeakPolarHBondContact OD1-CB 3.39Å; D361-T363 PolarHBondContact OD1-N 3.12Å; D361-T363 PolarHBondContact OD1-OG1 2.84Å; D361-T363 PolarHBondContact OD2-OG1 3.2Å; D361-A364 HydrophobicContact CB-CB 4.05Å; D361-A364 WeakPolarHBondContact O-CB 3.39Å; D361-A364 PolarHBondContact O-N 2.95Å; D361-A364 VanDerWaalsContact O-N 3.1Å; D361-Y381 WeakPolarHBondContact OD1-CE1 3.47Å; D361-Y381 PolarHBondContact OD1-OH 3.41Å
362P66.3Low64.5Low86 Ų8682.7 Ų82.756%0.55848%0.475SS*.G310 helixtrans-61.9-22.8175.824.2-34.5000113.1L360 Y381L360-P362 WeakPolarHBondContact O-CD 3.5Å; P362-Y381 VanDerWaalsContact CD-OH 3.26Å; P362-Y381 WeakPolarHBondContact CD-OH 3.39Å; P362-Y381 WeakPolarHBondContact CG-OH 3.36Å
363T65.4Low62Low69 Ų6986 Ų8642%0.42349%0.493SS..G310 helixtrans-82.7-11.7177.6660000113.6D361 S365 M366 K367D361-T363 VanDerWaalsContact CG-OG1 3.24Å; D361-T363 PolarHBondContact O-N 3.33Å; D361-T363 WeakPolarHBondContact OD1-CB 3.39Å; D361-T363 PolarHBondContact OD1-N 3.12Å; D361-T363 PolarHBondContact OD1-OG1 2.84Å; D361-T363 PolarHBondContact OD2-OG1 3.2Å; T363-S365 PolarHBondContact O-N 3.37Å; T363-M366 CarbonylContact O-C 3.58Å; T363-M366 PolarHBondContact O-N 3Å; T363-K367 PolarHBondContact O-N 3Å
364A54.7Low59.2Low51 Ų5192.1 Ų92.142%0.42153%0.533SS..G310 helixtrans-63-28.2175.100000112.3D361D361-A364 HydrophobicContact CB-CB 4.05Å; D361-A364 WeakPolarHBondContact O-CB 3.39Å; D361-A364 PolarHBondContact O-N 2.95Å; D361-A364 VanDerWaalsContact O-N 3.1Å
365S44.7Very low56.9Low119 Ų11993.8 Ų93.883%0.83256%0.558SS**G310 helixtrans-85.3-13.9170.7-68.10000114.1T363T363-S365 PolarHBondContact O-N 3.37Å
366M44.2Very low54.3Low136 Ų13697.6 Ų97.667%0.6757%0.57SS**  trans-102.411.4-178.5-67.8-153.3169.300114.2T363 E368 V369T363-M366 CarbonylContact O-C 3.58Å; T363-M366 PolarHBondContact O-N 3Å; M366-E368 PolarHBondContact O-N 3.4Å; M366-V369 PolarHBondContact O-N 3.02Å
367K39Very low51.7Low190 Ų190101.8 Ų101.883%0.82660%0.6SS**THydrogen-bonded Turntrans-59.5-2.7176.1-89.5-175.4175.1179.50115.4T363T363-K367 PolarHBondContact O-N 3Å
368E35.7Very low49Very low195 Ų195111.4 Ų111.491%0.91165%0.645SS**THydrogen-bonded Turntrans-93.9-7.7171.4-79.2-171.2161.400115.2M366M366-E368 PolarHBondContact O-N 3.4Å
369V34.7Very low46.8Very low108 Ų108114.4 Ų114.466%0.65565%0.654SS**SBendtrans-129.797.3176.7-171.80000110.1M366 C371M366-V369 PolarHBondContact O-N 3.02Å; V369-C371 PolarHBondContact O-N 3.36Å; V369-C371 VanDerWaalsContact O-N 3.15Å
370S29.1Very low45.2Very low104 Ų104117 Ų11773%0.72767%0.666SS**  trans-64108.1170.757.50000110.1
371C34.3Very low44.2Very low103 Ų103121.4 Ų121.470%0.69668%0.682SS**  trans-100.390.4163.9-74.40000109.3V369 I373V369-C371 PolarHBondContact O-N 3.36Å; V369-C371 VanDerWaalsContact O-N 3.15Å; C371-I373 PolarHBondContact O-N 3.07Å; C371-I373 VanDerWaalsContact O-N 3.16Å
372D36.3Very low43.8Very low150 Ų150121 Ų12180%0.80268%0.681SS**  trans-74.790.6164.9-73.5-42.2000109.2
373I35.1Very low44.5Very low128 Ų128117.6 Ų117.666%0.65666%0.659SS**  trans-112.2105.6165.8-54.6180000108.5C371 G375C371-I373 PolarHBondContact O-N 3.07Å; C371-I373 VanDerWaalsContact O-N 3.16Å; I373-G375 PolarHBondContact O-N 3.35Å
374P30.4Very low45.4Very low129 Ų129114.5 Ų114.584%0.83864%0.64SS**THydrogen-bonded Turntrans-68.1123.5177.3-16.930.2000111.2
375G39.7Very low47.1Very low82 Ų82112.3 Ų112.385%0.84562%0.621SS**THydrogen-bonded Turntrans126.4-14.2171.300000116.4I373I373-G375 PolarHBondContact O-N 3.35Å
376L34.9Very low49.3Very low165 Ų165108 Ų10886%0.86459%0.591SS**SBendtrans-93.7-10.1-178.1-147.273.6000114
377C34.1Very low51.5Low109 Ų109102.5 Ų102.574%0.73656%0.563SS**  trans-115.575.5-167.7-133.60000111.8
378Q31.9Very low54Low201 Ų20197.2 Ų97.294%0.93954%0.541SS*.  trans-127.38.6163.1-78.8-170.3-500113.1
379Q42.6Very low56.6Low144 Ų14488 Ų8867%0.67350%0.498SS*.SBendtrans-94.6135.5166.6-73.6-177.4-13.500108.8Y381Q379-Y381 VanDerWaalsContact C-N 3.3Å; Q379-Y381 PolarHBondContact O-N 3.36Å
380E50.4Low58.9Low134 Ų13484 Ų8463%0.62648%0.478SS*.  trans-58.792.5174-73-165.8133.100109.7K350 S382K350-E380 VanDerWaalsContact NZ-CD 3.29Å; K350-E380 IonicContact NZ-OE1 2.87Å; K350-E380 PolarHBondContact NZ-OE1 2.86Å; K350-E380 IonicContact NZ-OE2 3.29Å; K350-E380 PolarHBondContact NZ-OE2 3.24Å; E380-S382 PolarHBondContact O-N 3.38Å
381Y64.6Low61.3Low118 Ų11879.1 Ų79.146%0.46344%0.444SS..  trans-67.7121.8178.5-178.2-96.9000109.5D361 P362 Q379D361-Y381 WeakPolarHBondContact OD1-CE1 3.47Å; D361-Y381 PolarHBondContact OD1-OH 3.41Å; P362-Y381 VanDerWaalsContact CD-OH 3.26Å; P362-Y381 WeakPolarHBondContact CD-OH 3.39Å; P362-Y381 WeakPolarHBondContact CG-OH 3.36Å; Q379-Y381 VanDerWaalsContact C-N 3.3Å; Q379-Y381 PolarHBondContact O-N 3.36Å
382S72.3Confident63.4Low20 Ų2076.8 Ų76.814%0.1443%0.429CS..  trans-125.6144.2175.7-620000109.9R327 E380 Y384R327-S382 PolarHBondContact NH1-O 3.13Å; R327-S382 PolarHBondContact NH2-O 3.05Å; E380-S382 PolarHBondContact O-N 3.38Å; S382-Y384 WeakPolarHBondContact CB-O 3.48Å; S382-Y384 PolarHBondContact O-N 2.59Å; S382-Y384 VanDerWaalsContact O-N 3.1Å
383S79.8Confident65.4Low14 Ų1470.6 Ų70.610%0.09840%0.396CS..SBendtrans-62.8-15.2177.6-43.60000112.9R327 F357 L360R327-S383 VanDerWaalsContact CZ-O 3.28Å; R327-S383 PolarHBondContact NH2-O 3.32Å; F357-S383 WeakPolarHBondContact O-CB 3.33Å; L360-S383 CarbonylContact C-O 3.57Å; L360-S383 WeakPolarHBondContact CB-O 3.4Å
384Y84.6Confident67.3Low5 Ų564.8 Ų64.82%0.0237%0.366CS..SBendtrans-123.6163.3174.454.4-83.4000110.3I7 R327 L353 F357 S382 C386I7-Y384 HydrophobicContact CB-CD2 4.44Å; I7-Y384 HydrophobicContact CG2-CD2 4.13Å; I7-Y384 HydrophobicContact CG2-CE2 4.06Å; R327-Y384 VanDerWaalsContact NH1-C 3.31Å; R327-Y384 PolarHBondContact NH1-O 2.9Å; L353-Y384 HydrophobicContact CB-CE1 3.71Å; L353-Y384 HydrophobicContact CB-CE2 4.26Å; L353-Y384 VanDerWaalsContact CB-CZ 3.49Å; L353-Y384 VanDerWaalsContact CB-OH 3.24Å; L353-Y384 WeakPolarHBondContact CB-OH 3.27Å; L353-Y384 HydrophobicContact CD1-CE2 4.14Å; F357-Y384 HydrophobicContact CB-CD1 3.84Å; F357-Y384 HydrophobicContact CB-CG 4.37Å; F357-Y384 HydrophobicContact CD2-CD1 4.26Å; F357-Y384 HydrophobicContact CD2-CG 4.47Å; F357-Y384 HydrophobicContact CG-CD1 4.43Å; S382-Y384 WeakPolarHBondContact CB-O 3.48Å; S382-Y384 PolarHBondContact O-N 2.59Å; S382-Y384 VanDerWaalsContact O-N 3.1Å; Y384-C386 HydrophobicContact CD2-CB 3.98Å; Y384-C386 HydrophobicContact CE2-CB 3.71Å
385I89.8Confident69.3Low5 Ų561.7 Ų61.73%0.02634%0.34CS..EExtended strand (participates in β ladder)trans-79.1128.3174.9-61.9165.7000108.1I7 S8 E323 S324 R327 Y328 F387I7-I385 CarbonylContact C-O 3.58Å; I7-I385 WeakPolarHBondContact CA-O 3.3Å; S8-I385 PolarHBondContact N-O 2.85Å; E323-I385 VanDerWaalsContact C-CD1 3.46Å; E323-I385 HydrophobicContact CB-CD1 3.96Å; E323-I385 HydrophobicContact CB-CG1 4.44Å; E323-I385 HydrophobicContact CB-CG2 4.11Å; E323-I385 HydrophobicContact CG-CB 4.46Å; E323-I385 HydrophobicContact CG-CD1 3.74Å; E323-I385 HydrophobicContact CG-CG1 3.77Å; E323-I385 HydrophobicContact CG-CG2 3.88Å; E323-I385 WeakPolarHBondContact O-CD1 3.43Å; S324-I385 VanDerWaalsContact CA-CD1 3.48Å; R327-I385 HydrophobicContact CB-CD1 4.17Å; Y328-I385 HydrophobicContact CE2-CD1 3.76Å; I385-F387 HydrophobicContact CG2-CD2 4.15Å; I385-F387 HydrophobicContact CG2-CE2 3.55Å; I385-F387 HydrophobicContact CG2-CZ 4.07Å
386C90.9Very high70.3Confident29 Ų2960.7 Ų60.720%0.19632%0.315CS..EExtended strand (participates in β ladder)trans-142.1125.6179.5-174.80000110.4L6 I7 Y384L6-C386 WeakPolarHBondContact O-CA 3.38Å; I7-C386 HydrophobicContact CG2-CB 4.23Å; Y384-C386 HydrophobicContact CD2-CB 3.98Å; Y384-C386 HydrophobicContact CE2-CB 3.71Å
387F92.1Very high71.1Confident20 Ų2058.1 Ų58.19%0.08831%0.311CS..EExtended strand (participates in β ladder)trans-118.7130.6170.1-61.5-67000110.6L6 K316 R319 V320 E323 I385L6-F387 PolarHBondContact N-O 2.86Å; L6-F387 PolarHBondContact O-N 2.79Å; K316-F387 HydrophobicContact CD-CB 4.36Å; R319-F387 HydrophobicContact CB-CD2 4.43Å; R319-F387 HydrophobicContact CB-CE1 4.46Å; R319-F387 HydrophobicContact CB-CE2 3.94Å; R319-F387 HydrophobicContact CB-CZ 3.95Å; R319-F387 VanDerWaalsContact NH2-CE1 3.28Å; V320-F387 HydrophobicContact CB-CE2 4.46Å; V320-F387 HydrophobicContact CG2-CD2 3.5Å; V320-F387 VanDerWaalsContact CG2-CD2 3.5Å; V320-F387 HydrophobicContact CG2-CE2 3.81Å; E323-F387 HydrophobicContact CB-CE2 4.39Å; E323-F387 HydrophobicContact CB-CZ 4.15Å; E323-F387 HydrophobicContact CG-CZ 4.3Å; I385-F387 HydrophobicContact CG2-CD2 4.15Å; I385-F387 HydrophobicContact CG2-CE2 3.55Å; I385-F387 HydrophobicContact CG2-CZ 4.07Å
388H90.6Very high71.6Confident79 Ų7959.6 Ų59.637%0.36631%0.307SS..EExtended strand (participates in β ladder)trans-85139.1176-63.2-69.8000111.3W5 K316W5-H388 AromaticContact CD1-CE1 3.75Å; W5-H388 AromaticContact CD1-ND1 3.13Å; W5-H388 AromaticContact CD2-CE1 3.79Å; W5-H388 AromaticContact CD2-ND1 3.96Å; W5-H388 AromaticContact CE2-CE1 3.52Å; W5-H388 AromaticContact CE2-ND1 3.65Å; W5-H388 AromaticContact CG-CE1 3.92Å; W5-H388 AromaticContact CG-ND1 3.64Å; W5-H388 AromaticContact CZ2-CE1 3.95Å; W5-H388 AromaticContact NE1-CE1 3.53Å; W5-H388 AromaticContact NE1-ND1 3.16Å; W5-H388 PolarHBondContact NE1-ND1 3.46Å; W5-H388 VanDerWaalsContact NE1-ND1 3.16Å; K316-H388 PolarHBondContact NZ-O 3.16Å
389I90.1Very high71.9Confident1 Ų155.5 Ų55.51%0.00530%0.297CS..EExtended strand (participates in β ladder)trans-120.593.9172.3-58.7167.7000106.2F4 L6 W312 I313 K316F4-I389 HydrophobicContact CB-CB 3.97Å; F4-I389 HydrophobicContact CB-CG2 4.49Å; F4-I389 PolarHBondContact N-O 3.21Å; F4-I389 PolarHBondContact O-N 2.93Å; L6-I389 HydrophobicContact CB-CD1 4.31Å; W312-I389 HydrophobicContact CE3-CG2 4.49Å; W312-I389 HydrophobicContact CH2-CG2 4.06Å; W312-I389 HydrophobicContact CZ3-CG2 3.75Å; I313-I389 HydrophobicContact CD1-CD1 4.05Å; I313-I389 HydrophobicContact CD1-CG2 4.07Å; K316-I389 HydrophobicContact CD-CG1 4.44Å; K316-I389 HydrophobicContact CG-CD1 4.44Å; K316-I389 HydrophobicContact CG-CG1 4.21Å
390G82.8Confident71.2Confident23 Ų2353.2 Ų53.224%0.23730%0.297CS..  trans-75131.4177.400000111M393G390-M393 VanDerWaalsContact O-SD 3.39Å
391T80.8Confident70.3Confident3 Ų353.9 Ų53.92%0.01831%0.311CS..  trans-113.310.8177.366.50000113.3A2 F4 M120 M393 L394A2-T391 PolarHBondContact O-OG1 3.38Å; F4-T391 HydrophobicContact CD2-CG2 3.95Å; F4-T391 HydrophobicContact CE2-CG2 4.21Å; M120-T391 HydrophobicContact CE-CG2 3.82Å; M120-T391 HydrophobicContact SD-CG2 4.42Å; T391-M393 PolarHBondContact O-N 3.25Å; T391-M393 VanDerWaalsContact O-N 3.17Å; T391-L394 PolarHBondContact O-N 2.8Å; T391-L394 VanDerWaalsContact O-N 3.16Å
392S77.6Confident68.7Low54 Ų5457.5 Ų57.538%0.37835%0.346SS..G310 helixtrans-60.8-25.3-176.957.50000114.2L394 E395S392-L394 PolarHBondContact O-N 2.95Å; S392-E395 WeakPolarHBondContact O-CB 3.32Å; S392-E395 PolarHBondContact O-N 3.23Å; S392-E395 VanDerWaalsContact O-N 3.17Å
393M79.1Confident68.5Low20 Ų2059.4 Ų59.410%0.09936%0.356CS..G310 helixtrans-63.4-22178.165.5-73-178.800113.5I68 K69 C72 K76 F309 G390 T391 E395I68-M393 HydrophobicContact CG2-CE 3.99Å; I68-M393 HydrophobicContact CG2-CG 4.35Å; K69-M393 HydrophobicContact CG-CB 4.37Å; C72-M393 HydrophobicContact CB-CB 4.48Å; C72-M393 PolarHBondContact SG-O 2.79Å; K76-M393 PolarHBondContact NZ-O 2.84Å; K76-M393 VanDerWaalsContact NZ-O 3.1Å; F309-M393 HydrophobicContact CD2-CE 4.12Å; F309-M393 HydrophobicContact CE2-CE 3.68Å; G390-M393 VanDerWaalsContact O-SD 3.39Å; T391-M393 PolarHBondContact O-N 3.25Å; T391-M393 VanDerWaalsContact O-N 3.17Å; M393-E395 PolarHBondContact O-N 2.98Å
394L74.8Confident67.9Low6 Ų661.8 Ų61.83%0.03137%0.37CS..G310 helixtrans-81.6-0.3179.9-62.5171.8000113.1L115 R116 L119 F305 T391 S392L115-L394 HydrophobicContact CD2-CD2 3.94Å; L115-L394 HydrophobicContact CG-CD2 4.3Å; R116-L394 HydrophobicContact CB-CD1 4.37Å; R116-L394 HydrophobicContact CG-CD1 4.46Å; L119-L394 HydrophobicContact CD1-CD1 3.85Å; L119-L394 HydrophobicContact CD1-CD2 4.37Å; F305-L394 HydrophobicContact CE1-CD2 3.85Å; F305-L394 HydrophobicContact CZ-CD2 3.61Å; T391-L394 PolarHBondContact O-N 2.8Å; T391-L394 VanDerWaalsContact O-N 3.16Å; S392-L394 PolarHBondContact O-N 2.95Å
395E72.1Confident67Low63 Ų6364.9 Ų64.929%0.29439%0.389SS..  trans-85146.7-179.7-60.5-173.1161.900111.6K76 S392 M393K76-E395 WeakPolarHBondContact CE-O 3.4Å; K76-E395 PolarHBondContact NZ-O 3.07Å; S392-E395 WeakPolarHBondContact O-CB 3.32Å; S392-E395 PolarHBondContact O-N 3.23Å; S392-E395 VanDerWaalsContact O-N 3.17Å; M393-E395 PolarHBondContact O-N 2.98Å
396I60.8Low65.7Low61 Ų6168.5 Ų68.531%0.31341%0.41SS..  trans-105.7116.5166.3-59.4162.1000104.5L108 K109 L112 E398L108-I396 HydrophobicContact CD2-CD1 3.49Å; L108-I396 VanDerWaalsContact CD2-CD1 3.49Å; L108-I396 HydrophobicContact CD2-CG1 3.78Å; K109-I396 HydrophobicContact CB-CD1 3.54Å; K109-I396 HydrophobicContact CD-CD1 4.37Å; K109-I396 HydrophobicContact CG-CD1 3.7Å; L112-I396 HydrophobicContact CB-CD1 4.43Å; L112-I396 HydrophobicContact CD1-CD1 3.93Å; L112-I396 HydrophobicContact CD1-CG1 3.6Å; I396-E398 PolarHBondContact O-N 3.47Å; I396-E398 VanDerWaalsContact O-N 3.08Å
397S52.1Low64.1Low111 Ų11170.9 Ų70.978%0.77642%0.424SS*.  trans-58.4113.8171.6-39.20000107.3
398E43.4Very low62.2Low141 Ų14174.3 Ų74.366%0.65945%0.446SS*.  trans-67.1128.8163.6-68.1-170.5158.800106.2K109 I396 S400K109-E398 IonicContact NZ-OE1 2.7Å; K109-E398 PolarHBondContact NZ-OE1 3.11Å; I396-E398 PolarHBondContact O-N 3.47Å; I396-E398 VanDerWaalsContact O-N 3.08Å; E398-S400 PolarHBondContact O-N 3.1Å
399P37.8Very low60.2Low114 Ų11474 Ų7474%0.7445%0.452SS*.  trans-57.4120.6171.823.4-29.7000106.1T401P399-T401 PolarHBondContact O-N 3.15Å
400S27.9Very low57.9Low96 Ų9679.6 Ų79.667%0.67149%0.486SS*.  trans-54.6106.3171.548.90000106.9E398 T402E398-S400 PolarHBondContact O-N 3.1Å; S400-T402 PolarHBondContact O-N 3.33Å
401T31.9Very low55.8Low149 Ų14984.3 Ų84.391%0.91451%0.507SS*.  trans-63.191.2162.931.40000106.6P399P399-T401 PolarHBondContact O-N 3.15Å
402T31.9Very low53.6Low194 Ų19491.7 Ų91.7100%1.1955%0.551SS**  trans-100.50159.546.80000108.5S400S400-T402 PolarHBondContact O-N 3.33Å

Retrieved 402 of 402 residues in 268.1 ms (Link to these results)