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5'-deoxynucleotidase HDDC2

Catalyzes the dephosphorylation of the nucleoside 5'-monophosphates deoxyadenosine monophosphate (dAMP), deoxycytidine monophosphate (dCMP), deoxyguanosine monophosphate (dGMP) and deoxythymidine monophosphate (dTMP).

AlphaFold DB (A0A2K5UAF6), UniProt , Accession A0A096N0Y1, Species PAPAN (Papio anubis, Olive baboon), Gene HDDC2, Length 204 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
1M39.3Very low44Very low246 Ų246121.2 Ų121.2100%1.21276%0.756SS**  01130-71.2179.3-16700106.8
2A35Very low46.7Very low99 Ų99119.8 Ų119.882%0.81873%0.734SS**  trans-71128.9-172.800000110.7
3S36.5Very low49.9Very low116 Ų116113.8 Ų113.881%0.81171%0.711SS**  trans-67.2123.6168.1175.70000108.9S5S3-S5 PolarHBondContact O-N 2.97Å
4V39.7Very low53.2Low131 Ų131111.6 Ų111.679%0.79471%0.709SS**  trans-83.297.6175.2-1800000107.6
5S44.3Very low56.1Low112 Ų112118.8 Ų118.878%0.78372%0.717SS**  trans-83.9115.7159.5-178.10000107.7S3S3-S5 PolarHBondContact O-N 2.97Å
6S39.1Very low58.7Low97 Ų97111.9 Ų111.968%0.67868%0.676SS**  trans-128.362.2175.6173.60000109.5
7A43.8Very low61Low81 Ų81110.2 Ų110.267%0.66966%0.662SS**  trans-80.4106.7150.300000106.3F9A7-F9 PolarHBondContact O-N 2.9Å
8T45Very low63Low116 Ų116108.8 Ų108.871%0.71265%0.649SS**  trans-50.2122.6176.514.70000110.2L10T8-L10 PolarHBondContact O-N 3.25Å
9F45.8Very low64.9Low215 Ų215107.2 Ų107.294%0.94363%0.634SS**  trans-63.277.3171.6-84.1-96.9000110.4A7 G11A7-F9 PolarHBondContact O-N 2.9Å; F9-G11 VanDerWaalsContact C-N 3.33Å; F9-G11 PolarHBondContact O-N 2.97Å; F9-G11 VanDerWaalsContact O-N 3.09Å
10L56.2Low66.6Low67 Ų67102.8 Ų102.835%0.35161%0.607SS.*  trans-76.891.8163.6-73.8169.9000107T8 H12 Q111 L112T8-L10 PolarHBondContact O-N 3.25Å; L10-H12 PolarHBondContact O-N 3.39Å; L10-Q111 HydrophobicContact CD1-CG 4.34Å; L10-L112 HydrophobicContact CD1-CD2 4.12Å; L10-L112 HydrophobicContact CD2-CD2 4.12Å
11G59Low68.1Low53 Ų53102.5 Ų102.555%0.54660%0.602SS.*  trans-60.5124.2167.300000108.7F9 G13 S16F9-G11 VanDerWaalsContact C-N 3.33Å; F9-G11 PolarHBondContact O-N 2.97Å; F9-G11 VanDerWaalsContact O-N 3.09Å; G11-G13 PolarHBondContact O-N 3.04Å; G11-S16 WeakPolarHBondContact O-CB 3.34Å; G11-S16 PolarHBondContact O-OG 2.77Å
12H76.6Confident71Confident105 Ų10597.4 Ų97.449%0.48657%0.569SS.*THydrogen-bonded Turntrans-67.831.6176.4-55100.5000113.6L10 L113 P114L10-H12 PolarHBondContact O-N 3.39Å; H12-L113 PolarHBondContact CD2-O 3.09Å; H12-P114 HydrophobicContact CB-CG 4.31Å
13G88.3Confident74Confident42 Ų4293.7 Ų93.743%0.43354%0.535SS..THydrogen-bonded Turntrans-88.9-177.2178.900000112.9G11 R15 S16 L17G11-G13 PolarHBondContact O-N 3.04Å; G13-R15 PolarHBondContact O-N 2.93Å; G13-S16 PolarHBondContact O-N 3.04Å; G13-L17 PolarHBondContact O-N 3.43Å
14A95.6Very high77Confident83 Ų8390.2 Ų90.269%0.68651%0.509SS*.Hα-helixtrans-53.2-28.2-175.500000114.9L18A14-L18 VanDerWaalsContact O-CB 3.26Å; A14-L18 WeakPolarHBondContact O-CB 3.26Å; A14-L18 PolarHBondContact O-N 3.44Å
15R96.9Very high79.8Confident219 Ų21985.1 Ų85.183%0.82648%0.484SS*.Hα-helixtrans-64.1-45.3175.8-178.3-179.8-73.7-179.9-2.5112.2G13 L18 Q19G13-R15 PolarHBondContact O-N 2.93Å; R15-L18 PolarHBondContact O-N 2.68Å; R15-Q19 PolarHBondContact O-N 2.77Å
16S97.4Very high82.4Confident9 Ų982.9 Ų82.96%0.06346%0.461CS..Hα-helixtrans-71.4-40.2-179.9-58.20000110.8G11 G13 L18 Q19 F20 L112G11-S16 WeakPolarHBondContact O-CB 3.34Å; G11-S16 PolarHBondContact O-OG 2.77Å; G13-S16 PolarHBondContact O-N 3.04Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.04Å; S16-Q19 CarbonylContact O-C 3.6Å; S16-Q19 WeakPolarHBondContact O-CA 3.42Å; S16-Q19 WeakPolarHBondContact O-CB 3.5Å; S16-Q19 PolarHBondContact O-N 3.25Å; S16-Q19 VanDerWaalsContact O-N 3.09Å; S16-F20 PolarHBondContact O-N 3.26Å; S16-L112 VanDerWaalsContact CB-O 3.31Å; S16-L112 WeakPolarHBondContact CB-O 3.3Å
17L98Very high85.2Confident83 Ų8378.4 Ų78.444%0.43543%0.429SS..Hα-helixtrans-59.9-43.3172.2-179.660.9000112.1G13 Q19 F20 L21 L113G13-L17 PolarHBondContact O-N 3.43Å; L17-Q19 VanDerWaalsContact C-N 3.27Å; L17-Q19 PolarHBondContact O-N 3.11Å; L17-F20 HydrophobicContact CD1-CD1 4.29Å; L17-F20 WeakPolarHBondContact O-CB 3.44Å; L17-F20 PolarHBondContact O-N 2.84Å; L17-L21 HydrophobicContact CD1-CG 4.44Å; L17-L21 HydrophobicContact CG-CD1 4.38Å; L17-L21 WeakPolarHBondContact O-CG 3.45Å; L17-L21 PolarHBondContact O-N 3.27Å; L17-L113 HydrophobicContact CD1-CD2 3.96Å
18L98.4Very high87.9Confident84 Ų8481.9 Ų81.944%0.4443%0.429SS..Hα-helixtrans-62.9-36175.2-178.361000111.9A14 R15 S16 R22A14-L18 VanDerWaalsContact O-CB 3.26Å; A14-L18 WeakPolarHBondContact O-CB 3.26Å; A14-L18 PolarHBondContact O-N 3.44Å; R15-L18 PolarHBondContact O-N 2.68Å; S16-L18 VanDerWaalsContact C-N 3.34Å; S16-L18 PolarHBondContact O-N 3.04Å; L18-R22 VanDerWaalsContact O-CG 3.3Å; L18-R22 WeakPolarHBondContact O-CG 3.48Å; L18-R22 PolarHBondContact O-N 3.09Å
19Q98.6Very high90.4Very high78 Ų7885.2 Ų85.236%0.36443%0.429SS..Hα-helixtrans-67.8-43174.6-17460.825.600111.8R15 S16 L17 L21 R22 L23 L112R15-Q19 PolarHBondContact O-N 2.77Å; S16-Q19 CarbonylContact O-C 3.6Å; S16-Q19 WeakPolarHBondContact O-CA 3.42Å; S16-Q19 WeakPolarHBondContact O-CB 3.5Å; S16-Q19 PolarHBondContact O-N 3.25Å; S16-Q19 VanDerWaalsContact O-N 3.09Å; L17-Q19 VanDerWaalsContact C-N 3.27Å; L17-Q19 PolarHBondContact O-N 3.11Å; Q19-L21 PolarHBondContact O-N 2.99Å; Q19-R22 WeakPolarHBondContact O-CB 3.37Å; Q19-R22 PolarHBondContact O-N 2.82Å; Q19-L23 PolarHBondContact O-N 3.29Å; Q19-L112 HydrophobicContact CB-CD1 4.25Å; Q19-L112 HydrophobicContact CG-CD1 3.95Å; Q19-L112 HydrophobicContact CG-CD2 4.49Å
20F98.8Very high92.9Very high19 Ų1976.1 Ų76.18%0.08339%0.391CS..Hα-helixtrans-55.8-50.1172.8168.7-93.9000110.9S16 L17 R22 L23 V24 M79 I109 L112 L113 L121S16-F20 PolarHBondContact O-N 3.26Å; L17-F20 HydrophobicContact CD1-CD1 4.29Å; L17-F20 WeakPolarHBondContact O-CB 3.44Å; L17-F20 PolarHBondContact O-N 2.84Å; F20-R22 VanDerWaalsContact C-N 3.27Å; F20-R22 PolarHBondContact O-N 3.19Å; F20-L23 WeakPolarHBondContact O-CB 3.31Å; F20-L23 PolarHBondContact O-N 2.98Å; F20-L23 VanDerWaalsContact O-N 3.08Å; F20-V24 HydrophobicContact CD1-CG2 4.28Å; F20-V24 HydrophobicContact CE1-CG2 3.81Å; F20-V24 HydrophobicContact CE2-CG2 4.05Å; F20-V24 HydrophobicContact CZ-CG2 3.67Å; F20-V24 WeakPolarHBondContact O-CG2 3.39Å; F20-V24 PolarHBondContact O-N 3.49Å; F20-M79 HydrophobicContact CE2-SD 4.1Å; F20-M79 HydrophobicContact CZ-SD 4.16Å; F20-I109 HydrophobicContact CD2-CG2 3.72Å; F20-I109 HydrophobicContact CE2-CG2 3.58Å; F20-L112 HydrophobicContact CB-CB 4.03Å; F20-L112 HydrophobicContact CB-CD1 4.19Å; F20-L113 HydrophobicContact CB-CD2 4.15Å; F20-L113 HydrophobicContact CD1-CD2 3.83Å; F20-L113 HydrophobicContact CD2-CD1 4Å; F20-L113 HydrophobicContact CD2-CD2 3.94Å; F20-L113 HydrophobicContact CD2-CG 3.91Å; F20-L113 HydrophobicContact CE1-CD2 4.21Å; F20-L113 HydrophobicContact CE2-CD1 3.7Å; F20-L113 HydrophobicContact CE2-CD2 4.31Å; F20-L113 HydrophobicContact CE2-CG 4.14Å; F20-L113 HydrophobicContact CG-CD2 3.69Å; F20-L113 HydrophobicContact CG-CG 4.19Å; F20-L113 HydrophobicContact CZ-CD1 3.98Å; F20-L113 HydrophobicContact CZ-CD2 4.44Å; F20-L121 HydrophobicContact CE2-CD2 4.02Å; F20-L121 HydrophobicContact CZ-CD2 3.71Å
21L98.8Very high95Very high97 Ų9775.6 Ų75.651%0.50839%0.391SS..Hα-helixtrans-63.7-31.3179.2-67175.3000112.9L17 Q19 G25L17-L21 HydrophobicContact CD1-CG 4.44Å; L17-L21 HydrophobicContact CG-CD1 4.38Å; L17-L21 WeakPolarHBondContact O-CG 3.45Å; L17-L21 PolarHBondContact O-N 3.27Å; Q19-L21 PolarHBondContact O-N 2.99Å; L21-G25 PolarHBondContact O-N 3.35Å
22R98.8Very high96.9Very high140 Ų14074.2 Ų74.253%0.52837%0.37SS..Hα-helixtrans-69-39.1172.8-76.5174.3-177.3147.1-1.3112.4L18 Q19 F20 G25 Q26L18-R22 VanDerWaalsContact O-CG 3.3Å; L18-R22 WeakPolarHBondContact O-CG 3.48Å; L18-R22 PolarHBondContact O-N 3.09Å; Q19-R22 WeakPolarHBondContact O-CB 3.37Å; Q19-R22 PolarHBondContact O-N 2.82Å; F20-R22 VanDerWaalsContact C-N 3.27Å; F20-R22 PolarHBondContact O-N 3.19Å; R22-G25 PolarHBondContact O-N 2.91Å; R22-Q26 PolarHBondContact O-N 2.64Å
23L98.8Very high97.9Very high20 Ų2070.2 Ų70.211%0.10535%0.352CS..Hα-helixtrans-63.1-52173.6-72.8174.4000110.2Q19 F20 G25 Q26 C82 I83 I109 L112Q19-L23 PolarHBondContact O-N 3.29Å; F20-L23 WeakPolarHBondContact O-CB 3.31Å; F20-L23 PolarHBondContact O-N 2.98Å; F20-L23 VanDerWaalsContact O-N 3.08Å; L23-G25 PolarHBondContact O-N 3.17Å; L23-Q26 WeakPolarHBondContact O-CB 3.39Å; L23-Q26 PolarHBondContact O-N 3.23Å; L23-C82 VanDerWaalsContact O-CB 3.26Å; L23-C82 WeakPolarHBondContact O-CB 3.4Å; L23-I83 HydrophobicContact CD2-CG1 4.28Å; L23-I109 HydrophobicContact CD1-CG1 4.22Å; L23-L112 HydrophobicContact CD1-CD1 3.65Å
24V98.9Very high98.4Very high43 Ų4369.2 Ų69.226%0.26134%0.343SS..Hα-helixtrans-54.6-40174176.80000111.1F20 Q26 L27 M79F20-V24 HydrophobicContact CD1-CG2 4.28Å; F20-V24 HydrophobicContact CE1-CG2 3.81Å; F20-V24 HydrophobicContact CE2-CG2 4.05Å; F20-V24 HydrophobicContact CZ-CG2 3.67Å; F20-V24 WeakPolarHBondContact O-CG2 3.39Å; F20-V24 PolarHBondContact O-N 3.49Å; V24-Q26 PolarHBondContact O-N 3.08Å; V24-L27 HydrophobicContact CG1-CD1 4.38Å; V24-L27 WeakPolarHBondContact O-CB 3.27Å; V24-L27 WeakPolarHBondContact O-CG 3.49Å; V24-L27 PolarHBondContact O-N 3.29Å; V24-L27 VanDerWaalsContact O-N 3.15Å; V24-M79 HydrophobicContact CG2-CE 4.25Å; V24-M79 HydrophobicContact CG2-SD 4.13Å
25G98.8Very high98.5Very high25 Ų2565.4 Ų65.426%0.25831%0.31SS..THydrogen-bonded Turntrans-65.3-14.4175.500000115.6L21 R22 L23 L27L21-G25 PolarHBondContact O-N 3.35Å; R22-G25 PolarHBondContact O-N 2.91Å; L23-G25 PolarHBondContact O-N 3.17Å; G25-L27 VanDerWaalsContact C-N 3.29Å
26Q98.9Very high98.6Very high65 Ų6557.8 Ų57.830%0.30429%0.288SS..THydrogen-bonded Turntrans-69.1-28.2172.3-68.7168.7-13.400111.9R22 L23 V24 K28 R29 V30 C82R22-Q26 PolarHBondContact O-N 2.64Å; L23-Q26 WeakPolarHBondContact O-CB 3.39Å; L23-Q26 PolarHBondContact O-N 3.23Å; V24-Q26 PolarHBondContact O-N 3.08Å; Q26-K28 PolarHBondContact O-N 3.2Å; Q26-K28 VanDerWaalsContact O-N 3.15Å; Q26-R29 CarbonylContact O-C 3.57Å; Q26-R29 WeakPolarHBondContact O-CA 3.42Å; Q26-R29 PolarHBondContact O-N 3.49Å; Q26-V30 PolarHBondContact O-N 2.99Å; Q26-C82 HydrophobicContact CB-CB 4.2Å; Q26-C82 PolarHBondContact OE1-O 3.46Å
27L98.8Very high98.7Very high3 Ų362.9 Ų62.92%0.01631%0.307CS..G310 helixtrans-57.1-31.5178.2-64.4166.4000112.7V24 G25 R29 V30 S45 V46 M50 E81 C82V24-L27 HydrophobicContact CG1-CD1 4.38Å; V24-L27 WeakPolarHBondContact O-CB 3.27Å; V24-L27 WeakPolarHBondContact O-CG 3.49Å; V24-L27 PolarHBondContact O-N 3.29Å; V24-L27 VanDerWaalsContact O-N 3.15Å; G25-L27 VanDerWaalsContact C-N 3.29Å; L27-R29 PolarHBondContact O-N 2.93Å; L27-V30 PolarHBondContact O-N 2.97Å; L27-V30 VanDerWaalsContact O-N 3.14Å; L27-S45 WeakPolarHBondContact O-CB 3.48Å; L27-V46 HydrophobicContact CD2-CB 4.28Å; L27-V46 HydrophobicContact CD2-CG1 3.94Å; L27-M50 HydrophobicContact CD1-CE 3.68Å; L27-E81 HydrophobicContact CD2-CB 4.14Å; L27-C82 HydrophobicContact CD1-CB 4.42Å; L27-C82 HydrophobicContact CD2-CB 3.65Å; L27-C82 VanDerWaalsContact CD2-N 3.35Å; L27-C82 HydrophobicContact CG-CB 3.66Å
28K98.8Very high98.7Very high154 Ų15462.4 Ų62.467%0.6730%0.299SS*.G310 helixtrans-61.9-13.8173.7-58.9-176.6178.1-171.20114.3Q26 S47Q26-K28 PolarHBondContact O-N 3.2Å; Q26-K28 VanDerWaalsContact O-N 3.15Å; K28-S47 WeakPolarHBondContact CA-OG 3.31Å; K28-S47 WeakPolarHBondContact CG-OG 3.43Å; K28-S47 PolarHBondContact N-OG 2.9Å
29R98.8Very high98.7Very high186 Ų18664.4 Ų64.470%0.70231%0.31SS*.G310 helixtrans-121.95.4-177.5-64.7178.2-72143.8-2.1112Q26 L27 P31Q26-R29 CarbonylContact O-C 3.57Å; Q26-R29 WeakPolarHBondContact O-CA 3.42Å; Q26-R29 PolarHBondContact O-N 3.49Å; L27-R29 PolarHBondContact O-N 2.93Å; R29-P31 VanDerWaalsContact O-CD 3.24Å; R29-P31 WeakPolarHBondContact O-CD 3.41Å
30V98.8Very high98.7Very high23 Ų2361 Ų6114%0.13930%0.295CS..  trans-94.3100.9167.4-177.20000105.9Q26 L27 S45 V46 D86Q26-V30 PolarHBondContact O-N 2.99Å; L27-V30 PolarHBondContact O-N 2.97Å; L27-V30 VanDerWaalsContact O-N 3.14Å; V30-S45 CarbonylContact O-C 3.57Å; V30-S45 VanDerWaalsContact O-CA 3.29Å; V30-S45 WeakPolarHBondContact O-CA 3.33Å; V30-V46 HydrophobicContact CB-CG2 3.93Å; V30-V46 HydrophobicContact CG1-CG2 3.63Å; V30-V46 PolarHBondContact O-N 3.41Å; V30-D86 HydrophobicContact CG1-CB 4.01Å
31P98.8Very high98.6Very high56 Ų5666.6 Ų66.636%0.36432%0.321SS..BIsolated β-bridgetrans-67.6144.8172.130.1-34000109.4R29 T33 V36 P43 E44R29-P31 VanDerWaalsContact O-CD 3.24Å; R29-P31 WeakPolarHBondContact O-CD 3.41Å; P31-T33 PolarHBondContact O-N 2.62Å; P31-T33 VanDerWaalsContact O-N 3.15Å; P31-V36 HydrophobicContact CB-CG2 3.77Å; P31-V36 HydrophobicContact CG-CG2 3.88Å; P31-P43 HydrophobicContact CB-CG 3.89Å; P31-E44 WeakPolarHBondContact CA-O 3.47Å
32R98.8Very high98.6Very high25 Ų2572.9 Ų72.99%0.09434%0.338CS..  trans-64.3113.9174.2-81.4-84.5-74.2-172.2-12.2110.1G34 W35 V36 E44 V46 H49 D86 D143R32-G34 VanDerWaalsContact C-N 3.3Å; R32-G34 PolarHBondContact O-N 3.03Å; R32-W35 HydrophobicContact CB-CG 4.39Å; R32-W35 PolarHBondContact O-N 3.35Å; R32-W35 VanDerWaalsContact O-N 3.14Å; R32-V36 PolarHBondContact O-N 3.27Å; R32-E44 HydrophobicContact CB-CG 4.15Å; R32-E44 HydrophobicContact CG-CG 4.1Å; R32-E44 PolarHBondContact N-O 3.41Å; R32-V46 HydrophobicContact CG-CG2 4.26Å; R32-H49 HydrophobicContact CG-CB 4.47Å; R32-D86 VanDerWaalsContact CA-OD2 3.23Å; R32-D86 WeakPolarHBondContact CA-OD2 3.44Å; R32-D86 WeakPolarHBondContact CD-OD2 3.36Å; R32-D143 IonicContact NH2-OD1 3.91Å
33T98.6Very high98.6Very high20 Ų2067.9 Ų67.912%0.12332%0.324CS..Hα-helixtrans-62.3-34.8-166.7-65.10000112.2P31 W35 V36 Y37 D86 A88P31-T33 PolarHBondContact O-N 2.62Å; P31-T33 VanDerWaalsContact O-N 3.15Å; T33-W35 VanDerWaalsContact C-N 3.28Å; T33-W35 PolarHBondContact O-N 3.4Å; T33-V36 WeakPolarHBondContact O-CB 3.29Å; T33-V36 PolarHBondContact O-N 3.43Å; T33-V36 VanDerWaalsContact O-N 3.16Å; T33-Y37 HydrophobicContact CG2-CD1 4.23Å; T33-Y37 HydrophobicContact CG2-CD2 3.81Å; T33-Y37 HydrophobicContact CG2-CE1 3.87Å; T33-Y37 HydrophobicContact CG2-CE2 3.41Å; T33-Y37 VanDerWaalsContact CG2-CE2 3.41Å; T33-Y37 HydrophobicContact CG2-CG 4.22Å; T33-Y37 VanDerWaalsContact CG2-CZ 3.45Å; T33-Y37 PolarHBondContact O-N 3.04Å; T33-D86 WeakPolarHBondContact CB-O 3.39Å; T33-D86 PolarHBondContact N-OD2 2.71Å; T33-D86 PolarHBondContact OG1-O 3.47Å; T33-A88 HydrophobicContact CG2-CB 3.63Å
34G98.4Very high98.6Very high22 Ų2267.6 Ų67.623%0.22732%0.322CS..Hα-helixtrans-53.7-44.4175.100000112.7R32 R38R32-G34 VanDerWaalsContact C-N 3.3Å; R32-G34 PolarHBondContact O-N 3.03Å; G34-R38 VanDerWaalsContact O-CG 3.26Å; G34-R38 WeakPolarHBondContact O-CG 3.25Å; G34-R38 PolarHBondContact O-N 2.92Å
35W98.8Very high98.6Very high2 Ų266.1 Ų66.11%0.00831%0.313CS..Hα-helixtrans-71.9-39.1178.5-48.4134.9000112.1R32 T33 Y37 R38 N39 V40 P43 E44 M147 Q150 A151 Y154 L164 F167R32-W35 HydrophobicContact CB-CG 4.39Å; R32-W35 PolarHBondContact O-N 3.35Å; R32-W35 VanDerWaalsContact O-N 3.14Å; T33-W35 VanDerWaalsContact C-N 3.28Å; T33-W35 PolarHBondContact O-N 3.4Å; W35-Y37 VanDerWaalsContact C-N 3.33Å; W35-Y37 PolarHBondContact O-N 2.87Å; W35-R38 CarbonylContact O-C 3.43Å; W35-R38 PolarHBondContact O-N 3.44Å; W35-N39 PolarHBondContact O-N 2.84Å; W35-V40 HydrophobicContact CB-CB 3.93Å; W35-V40 HydrophobicContact CB-CG1 4.35Å; W35-V40 HydrophobicContact CB-CG2 3.99Å; W35-V40 HydrophobicContact CE3-CG2 4.47Å; W35-V40 WeakPolarHBondContact O-CB 2.75Å; W35-V40 PolarHBondContact O-N 3.15Å; W35-V40 VanDerWaalsContact O-N 3.14Å; W35-P43 HydrophobicContact CB-CB 3.58Å; W35-P43 HydrophobicContact CG-CB 4.33Å; W35-E44 PolarHBondContact NE1-OE1 2.83Å; W35-M147 HydrophobicContact CH2-CG 4.02Å; W35-M147 VanDerWaalsContact CH2-O 3.27Å; W35-M147 WeakPolarHBondContact CH2-O 3.27Å; W35-M147 HydrophobicContact CZ2-CG 4.01Å; W35-Q150 HydrophobicContact CH2-CB 4.34Å; W35-Q150 HydrophobicContact CZ2-CB 3.8Å; W35-Q150 HydrophobicContact CZ2-CG 3.8Å; W35-A151 HydrophobicContact CH2-CB 3.83Å; W35-A151 HydrophobicContact CZ3-CB 3.97Å; W35-Y154 HydrophobicContact CB-CE2 4.4Å; W35-Y154 AromaticContact CD1-CE2 3.81Å; W35-Y154 AromaticContact CD2-CD2 3.96Å; W35-Y154 HydrophobicContact CD2-CD2 3.96Å; W35-Y154 AromaticContact CD2-CE2 3.7Å; W35-Y154 HydrophobicContact CD2-CE2 3.7Å; W35-Y154 AromaticContact CE2-CE2 3.87Å; W35-Y154 AromaticContact CE3-CD2 3.96Å; W35-Y154 HydrophobicContact CE3-CD2 3.96Å; W35-Y154 HydrophobicContact CE3-CE2 4.19Å; W35-Y154 HydrophobicContact CG-CD2 4.36Å; W35-Y154 AromaticContact CG-CE2 3.75Å; W35-Y154 HydrophobicContact CG-CE2 3.75Å; W35-Y154 HydrophobicContact CZ3-CD2 4.36Å; W35-Y154 AromaticContact NE1-CE2 3.89Å; W35-L164 HydrophobicContact CE3-CD1 4.31Å; W35-L164 HydrophobicContact CZ3-CD1 4.07Å; W35-F167 HydrophobicContact CD2-CZ 4.26Å; W35-F167 HydrophobicContact CE3-CD2 4.44Å; W35-F167 AromaticContact CE3-CE1 4Å; W35-F167 HydrophobicContact CE3-CE1 4Å; W35-F167 AromaticContact CE3-CE2 3.66Å; W35-F167 HydrophobicContact CE3-CE2 3.66Å; W35-F167 AromaticContact CE3-CZ 3.41Å; W35-F167 HydrophobicContact CE3-CZ 3.41Å; W35-F167 VanDerWaalsContact CE3-CZ 3.41Å; W35-F167 AromaticContact CH2-CD1 3.82Å; W35-F167 HydrophobicContact CH2-CD1 3.82Å; W35-F167 HydrophobicContact CH2-CD2 4.33Å; W35-F167 AromaticContact CH2-CE1 3.76Å; W35-F167 HydrophobicContact CH2-CE1 3.76Å; W35-F167 HydrophobicContact CH2-CE2 4.24Å; W35-F167 HydrophobicContact CH2-CG 4.11Å; W35-F167 AromaticContact CH2-CZ 3.98Å; W35-F167 HydrophobicContact CH2-CZ 3.98Å; W35-F167 HydrophobicContact CZ2-CE1 4.43Å; W35-F167 AromaticContact CZ3-CD1 3.84Å; W35-F167 HydrophobicContact CZ3-CD1 3.84Å; W35-F167 AromaticContact CZ3-CD2 3.64Å; W35-F167 HydrophobicContact CZ3-CD2 3.64Å; W35-F167 AromaticContact CZ3-CE1 3.54Å; W35-F167 HydrophobicContact CZ3-CE1 3.54Å; W35-F167 AromaticContact CZ3-CE2 3.29Å; W35-F167 HydrophobicContact CZ3-CE2 3.29Å; W35-F167 AromaticContact CZ3-CG 3.88Å; W35-F167 HydrophobicContact CZ3-CG 3.88Å; W35-F167 AromaticContact CZ3-CZ 3.25Å; W35-F167 HydrophobicContact CZ3-CZ 3.25Å
36V98.5Very high98.6Very high59 Ų5964.9 Ų64.936%0.35830%0.301SS..Hα-helixtrans-57.6-46.9176.2177.10000110.6P31 R32 T33 R38 N39 P43P31-V36 HydrophobicContact CB-CG2 3.77Å; P31-V36 HydrophobicContact CG-CG2 3.88Å; R32-V36 PolarHBondContact O-N 3.27Å; T33-V36 WeakPolarHBondContact O-CB 3.29Å; T33-V36 PolarHBondContact O-N 3.43Å; T33-V36 VanDerWaalsContact O-N 3.16Å; V36-R38 PolarHBondContact O-N 2.67Å; V36-R38 VanDerWaalsContact O-N 3.15Å; V36-N39 PolarHBondContact O-N 3.15Å; V36-N39 VanDerWaalsContact O-N 3.08Å; V36-P43 HydrophobicContact CG2-CG 3.83Å
37Y98.5Very high98.6Very high116 Ų11663.2 Ų63.246%0.45530%0.297SS..THydrogen-bonded Turntrans-67.6-12179.1-70.2-8.4000113.9T33 W35 A88 A90 D91T33-Y37 HydrophobicContact CG2-CD1 4.23Å; T33-Y37 HydrophobicContact CG2-CD2 3.81Å; T33-Y37 HydrophobicContact CG2-CE1 3.87Å; T33-Y37 HydrophobicContact CG2-CE2 3.41Å; T33-Y37 VanDerWaalsContact CG2-CE2 3.41Å; T33-Y37 HydrophobicContact CG2-CG 4.22Å; T33-Y37 VanDerWaalsContact CG2-CZ 3.45Å; T33-Y37 PolarHBondContact O-N 3.04Å; W35-Y37 VanDerWaalsContact C-N 3.33Å; W35-Y37 PolarHBondContact O-N 2.87Å; Y37-A88 HydrophobicContact CD2-CB 4.38Å; Y37-A88 HydrophobicContact CE2-CB 4.21Å; Y37-A90 HydrophobicContact CD2-CB 3.72Å; Y37-A90 HydrophobicContact CE2-CB 3.8Å; Y37-D91 WeakPolarHBondContact CE2-OD1 3.33Å; Y37-D91 PolarHBondContact OH-OD1 3.06Å
38R98.5Very high98.6Very high74 Ų7467 Ų6728%0.27932%0.317SS..THydrogen-bonded Turntrans-108.513.8177.1-61-68.9-64.9-69.815.7112.9G34 W35 V36 V40 S163 L164 D166 F167G34-R38 VanDerWaalsContact O-CG 3.26Å; G34-R38 WeakPolarHBondContact O-CG 3.25Å; G34-R38 PolarHBondContact O-N 2.92Å; W35-R38 CarbonylContact O-C 3.43Å; W35-R38 PolarHBondContact O-N 3.44Å; V36-R38 PolarHBondContact O-N 2.67Å; V36-R38 VanDerWaalsContact O-N 3.15Å; R38-V40 HydrophobicContact CB-CG2 4.48Å; R38-V40 PolarHBondContact O-N 3.31Å; R38-V40 VanDerWaalsContact O-N 3.14Å; R38-S163 PolarHBondContact NH2-O 2.84Å; R38-L164 HydrophobicContact CB-CD2 3.93Å; R38-L164 HydrophobicContact CG-CD2 4.4Å; R38-D166 IonicContact CZ-OD1 3.05Å; R38-D166 IonicContact CZ-OD2 3.81Å; R38-D166 IonicContact NH1-OD1 2.56Å; R38-D166 PolarHBondContact NH1-OD1 2.87Å; R38-D166 IonicContact NH1-OD2 3.31Å; R38-D166 PolarHBondContact NH1-OD2 3.05Å; R38-D166 IonicContact NH2-OD1 2.75Å; R38-D166 PolarHBondContact NH2-OD1 3.37Å; R38-D166 IonicContact NH2-OD2 3.68Å; R38-F167 HydrophobicContact CG-CE2 4.08Å; R38-F167 HydrophobicContact CG-CZ 4.44Å
39N98.4Very high98.6Very high125 Ų12559.7 Ų59.767%0.66829%0.285SS*.THydrogen-bonded Turntrans59.822.1174.6-50108.2000114W35 V36 Q41W35-N39 PolarHBondContact O-N 2.84Å; V36-N39 PolarHBondContact O-N 3.15Å; V36-N39 VanDerWaalsContact O-N 3.08Å; N39-Q41 PolarHBondContact O-N 3.2Å; N39-Q41 PolarHBondContact O-NE2 2.84Å
40V98.4Very high98.6Very high7 Ų751.3 Ų51.34%0.04225%0.254CS..  trans-57.4131.7173.7172.80000109W35 R38 P43 Y154 L164W35-V40 HydrophobicContact CB-CB 3.93Å; W35-V40 HydrophobicContact CB-CG1 4.35Å; W35-V40 HydrophobicContact CB-CG2 3.99Å; W35-V40 HydrophobicContact CE3-CG2 4.47Å; W35-V40 WeakPolarHBondContact O-CB 2.75Å; W35-V40 PolarHBondContact O-N 3.15Å; W35-V40 VanDerWaalsContact O-N 3.14Å; R38-V40 HydrophobicContact CB-CG2 4.48Å; R38-V40 PolarHBondContact O-N 3.31Å; R38-V40 VanDerWaalsContact O-N 3.14Å; V40-P43 HydrophobicContact CG1-CB 4.37Å; V40-Y154 HydrophobicContact CG1-CD1 3.45Å; V40-Y154 VanDerWaalsContact CG1-CD1 3.45Å; V40-Y154 HydrophobicContact CG1-CD2 3.91Å; V40-Y154 HydrophobicContact CG1-CE1 3.51Å; V40-Y154 HydrophobicContact CG1-CE2 3.95Å; V40-Y154 HydrophobicContact CG1-CG 3.69Å; V40-Y154 HydrophobicContact CG2-CD2 4.29Å; V40-Y154 HydrophobicContact CG2-CG 4.34Å; V40-L164 HydrophobicContact CG2-CD1 4.42Å
41Q97.8Very high98.6Very high137 Ų13758 Ų5864%0.6428%0.278SS*.SBendtrans-80.5123.2-179.2-63.9-56.8-59.300111.5N39 E158N39-Q41 PolarHBondContact O-N 3.2Å; N39-Q41 PolarHBondContact O-NE2 2.84Å; Q41-E158 PolarHBondContact N-OE1 3.23Å
42R98Very high98.6Very high228 Ų22857.7 Ų57.786%0.8627%0.269SS*.SBendtrans55.261.5-177.7-55.9169.8-67.6-166.2-1.3111.1
43P98.6Very high98.6Very high35 Ų3556.5 Ų56.523%0.22727%0.265CS..PPolyproline II helixtrans-62.4151.5179.530.4-35.4000110.5P31 W35 V36 V40P31-P43 HydrophobicContact CB-CG 3.89Å; W35-P43 HydrophobicContact CB-CB 3.58Å; W35-P43 HydrophobicContact CG-CB 4.33Å; V36-P43 HydrophobicContact CG2-CG 3.83Å; V40-P43 HydrophobicContact CG1-CB 4.37Å
44E98.8Very high98.7Very high15 Ų1556 Ų567%0.0726%0.263CS..PPolyproline II helixtrans-54.6155.9173.666.2167.3168.300112.1P31 R32 W35 D48 H49 Y154P31-E44 WeakPolarHBondContact CA-O 3.47Å; R32-E44 HydrophobicContact CB-CG 4.15Å; R32-E44 HydrophobicContact CG-CG 4.1Å; R32-E44 PolarHBondContact N-O 3.41Å; W35-E44 PolarHBondContact NE1-OE1 2.83Å; E44-D48 HydrophobicContact CB-CB 4.03Å; E44-H49 PolarHBondContact OE2-N 3.17Å; E44-Y154 WeakPolarHBondContact CB-OH 3.31Å; E44-Y154 PolarHBondContact N-OH 3Å
45S98.9Very high98.7Very high11 Ų1157.6 Ų57.68%0.07727%0.268CS..BIsolated β-bridgetrans-85.6159.4169.371.30000111.4L27 V30 S47 D48 H49L27-S45 WeakPolarHBondContact O-CB 3.48Å; V30-S45 CarbonylContact O-C 3.57Å; V30-S45 VanDerWaalsContact O-CA 3.29Å; V30-S45 WeakPolarHBondContact O-CA 3.33Å; S45-S47 PolarHBondContact O-N 3.09Å; S45-S47 VanDerWaalsContact O-N 3.15Å; S45-S47 PolarHBondContact OG-OG 3.48Å; S45-D48 WeakPolarHBondContact CB-OD2 3.33Å; S45-D48 PolarHBondContact N-OD2 3.1Å; S45-D48 WeakPolarHBondContact O-CB 3.42Å; S45-D48 PolarHBondContact O-N 2.87Å; S45-D48 PolarHBondContact OG-N 3.41Å; S45-D48 PolarHBondContact OG-OD2 2.96Å; S45-H49 PolarHBondContact O-N 3.29Å
46V98.9Very high98.7Very high0 Ų058.3 Ų58.30%027%0.272CS..Hα-helixtrans-55.2-32.8172.2175.20000111.7L27 V30 R32 H49 M50 D78 E81 D86L27-V46 HydrophobicContact CD2-CB 4.28Å; L27-V46 HydrophobicContact CD2-CG1 3.94Å; V30-V46 HydrophobicContact CB-CG2 3.93Å; V30-V46 HydrophobicContact CG1-CG2 3.63Å; V30-V46 PolarHBondContact O-N 3.41Å; R32-V46 HydrophobicContact CG-CG2 4.26Å; V46-H49 WeakPolarHBondContact O-CB 3.22Å; V46-M50 HydrophobicContact CG1-CE 4.4Å; V46-M50 PolarHBondContact O-N 3.26Å; V46-M50 VanDerWaalsContact O-N 3.09Å; V46-D78 HydrophobicContact CG1-CB 3.73Å; V46-E81 WeakPolarHBondContact CG1-OE2 3.27Å; V46-E81 WeakPolarHBondContact CG2-OE2 3.11Å; V46-D86 HydrophobicContact CG2-CB 4.16Å
47S98.8Very high98.7Very high30 Ų3055.5 Ų55.521%0.2126%0.255CS..Hα-helixtrans-72-25.6175.750.40000114.7K28 S45 Y51K28-S47 WeakPolarHBondContact CA-OG 3.31Å; K28-S47 WeakPolarHBondContact CG-OG 3.43Å; K28-S47 PolarHBondContact N-OG 2.9Å; S45-S47 PolarHBondContact O-N 3.09Å; S45-S47 VanDerWaalsContact O-N 3.15Å; S45-S47 PolarHBondContact OG-OG 3.48Å; S47-Y51 VanDerWaalsContact O-CB 3.31Å; S47-Y51 WeakPolarHBondContact O-CB 3.48Å; S47-Y51 PolarHBondContact O-N 2.69Å; S47-Y51 VanDerWaalsContact O-N 3.08Å
48D98.9Very high98.7Very high83 Ų8356.2 Ų56.244%0.44426%0.264SS..Hα-helixtrans-70.8-45.8174.5-62.7-51000110E44 S45 Y51 R52E44-D48 HydrophobicContact CB-CB 4.03Å; S45-D48 WeakPolarHBondContact CB-OD2 3.33Å; S45-D48 PolarHBondContact N-OD2 3.1Å; S45-D48 WeakPolarHBondContact O-CB 3.42Å; S45-D48 PolarHBondContact O-N 2.87Å; S45-D48 PolarHBondContact OG-N 3.41Å; S45-D48 PolarHBondContact OG-OD2 2.96Å; D48-Y51 WeakPolarHBondContact O-CB 3.4Å; D48-Y51 PolarHBondContact O-N 3.01Å; D48-Y51 VanDerWaalsContact O-N 3.17Å; D48-R52 PolarHBondContact O-N 3.07Å
49H98.9Very high98.7Very high0 Ų058 Ų580%028%0.282CS..Hα-helixtrans-52.1-56.8172.2169.365.1000111.8R32 E44 S45 V46 Y51 R52 M53 H77 D78 D143 E146R32-H49 HydrophobicContact CG-CB 4.47Å; E44-H49 PolarHBondContact OE2-N 3.17Å; S45-H49 PolarHBondContact O-N 3.29Å; V46-H49 WeakPolarHBondContact O-CB 3.22Å; H49-Y51 VanDerWaalsContact C-N 3.26Å; H49-Y51 PolarHBondContact O-N 3Å; H49-R52 PolarHBondContact O-N 3.11Å; H49-M53 PolarHBondContact CE1-SD 3.38Å; H49-M53 PolarHBondContact NE2-SD 2.97Å; H49-M53 WeakPolarHBondContact O-CG 3.2Å; H49-M53 PolarHBondContact O-N 3.19Å; H49-H77 AromaticContact NE2-NE2 3.93Å; H49-D78 IonicContact CD2-OD2 2.73Å; H49-D78 IonicContact NE2-OD2 2.93Å; H49-D143 IonicContact CE1-OD1 2.86Å; H49-D143 PolarHBondContact CE1-OD1 3.38Å; H49-D143 VanDerWaalsContact CE1-OD1 3.29Å; H49-D143 IonicContact NE2-OD1 2.67Å; H49-D143 PolarHBondContact NE2-OD1 3.34Å; H49-E146 IonicContact CE1-OE2 3.4Å; H49-E146 PolarHBondContact CE1-OE2 3.25Å; H49-E146 IonicContact CG-OE2 3.47Å; H49-E146 IonicContact ND1-OE2 2.84Å; H49-E146 PolarHBondContact ND1-OE2 3.23Å
50M98.9Very high98.8Very high10 Ų1052.9 Ų52.95%0.04926%0.255CS..Hα-helixtrans-62.2-32.6179.3-71.5-161.4-65.100113L27 V46 A54 A74 D78L27-M50 HydrophobicContact CD1-CE 3.68Å; V46-M50 HydrophobicContact CG1-CE 4.4Å; V46-M50 PolarHBondContact O-N 3.26Å; V46-M50 VanDerWaalsContact O-N 3.09Å; M50-A54 WeakPolarHBondContact O-CB 3.48Å; M50-A54 PolarHBondContact O-N 3.03Å; M50-A74 WeakPolarHBondContact CG-O 3.26Å; M50-A74 VanDerWaalsContact SD-O 3.36Å; M50-D78 HydrophobicContact CG-CB 4.34Å; M50-D78 HydrophobicContact SD-CB 3.93Å
51Y98.9Very high98.7Very high162 Ų16258.4 Ų58.464%0.63528%0.279SS*.Hα-helixtrans-63.5-50.6175.6167.8-97000111.2S47 D48 H49 M53 A54 V55S47-Y51 VanDerWaalsContact O-CB 3.31Å; S47-Y51 WeakPolarHBondContact O-CB 3.48Å; S47-Y51 PolarHBondContact O-N 2.69Å; S47-Y51 VanDerWaalsContact O-N 3.08Å; D48-Y51 WeakPolarHBondContact O-CB 3.4Å; D48-Y51 PolarHBondContact O-N 3.01Å; D48-Y51 VanDerWaalsContact O-N 3.17Å; H49-Y51 VanDerWaalsContact C-N 3.26Å; H49-Y51 PolarHBondContact O-N 3Å; Y51-M53 VanDerWaalsContact C-N 3.34Å; Y51-M53 PolarHBondContact O-N 3.48Å; Y51-A54 WeakPolarHBondContact O-CB 3.34Å; Y51-A54 PolarHBondContact O-N 3.22Å; Y51-V55 HydrophobicContact CE1-CG2 4.22Å; Y51-V55 HydrophobicContact CE2-CG2 4.23Å; Y51-V55 PolarHBondContact O-N 3.18Å; Y51-V55 VanDerWaalsContact O-N 3.09Å
52R98.9Very high98.8Very high50 Ų5052.6 Ų52.619%0.18925%0.252CS..Hα-helixtrans-66.6-37.4179.9-173.5161.160.1-172.8-9.9111.4D48 H49 A54 V55 M56 E146 Q150 E153D48-R52 PolarHBondContact O-N 3.07Å; H49-R52 PolarHBondContact O-N 3.11Å; R52-A54 VanDerWaalsContact C-N 3.33Å; R52-A54 PolarHBondContact O-N 3.09Å; R52-V55 PolarHBondContact O-N 3.2Å; R52-M56 HydrophobicContact CG-CG 4.38Å; R52-M56 HydrophobicContact CG-SD 4.15Å; R52-M56 VanDerWaalsContact O-CG 3.26Å; R52-M56 WeakPolarHBondContact O-CG 3.37Å; R52-M56 PolarHBondContact O-N 3.47Å; R52-E146 HydrophobicContact CB-CG 4.11Å; R52-E146 HydrophobicContact CG-CG 4.09Å; R52-E146 IonicContact CZ-OE1 2.67Å; R52-E146 IonicContact NE-OE1 3.5Å; R52-E146 PolarHBondContact NE-OE1 3.1Å; R52-E146 IonicContact NH2-OE1 3.21Å; R52-E146 PolarHBondContact NH2-OE1 3.46Å; R52-Q150 VanDerWaalsContact NH2-CB 3.34Å; R52-E153 IonicContact CZ-OE2 2.81Å; R52-E153 IonicContact NH1-OE1 3.01Å; R52-E153 PolarHBondContact NH1-OE1 2.55Å; R52-E153 IonicContact NH1-OE2 3.49Å; R52-E153 PolarHBondContact NH1-OE2 2.8Å; R52-E153 IonicContact NH2-OE2 3.73Å; R52-E153 PolarHBondContact NH2-OE2 2.93Å
53M98.9Very high98.8Very high0 Ų048 Ų480%024%0.244CC..Hα-helixtrans-58.5-41.9171.6-74.2-17962.200113.2H49 Y51 V55 M56 A57 A74 H77 V139 L142 D143 E146H49-M53 PolarHBondContact CE1-SD 3.38Å; H49-M53 PolarHBondContact NE2-SD 2.97Å; H49-M53 WeakPolarHBondContact O-CG 3.2Å; H49-M53 PolarHBondContact O-N 3.19Å; Y51-M53 VanDerWaalsContact C-N 3.34Å; Y51-M53 PolarHBondContact O-N 3.48Å; M53-V55 VanDerWaalsContact C-N 3.33Å; M53-V55 PolarHBondContact O-N 3.41Å; M53-M56 WeakPolarHBondContact O-CB 3.31Å; M53-M56 PolarHBondContact O-N 3.34Å; M53-A57 WeakPolarHBondContact O-CB 3.49Å; M53-A57 PolarHBondContact O-N 2.93Å; M53-A74 HydrophobicContact CB-CB 4Å; M53-A74 HydrophobicContact CE-CB 4.33Å; M53-H77 VanDerWaalsContact CE-CE1 3.46Å; M53-H77 WeakPolarHBondContact CE-CE1 3.33Å; M53-H77 PolarHBondContact SD-CE1 3.4Å; M53-V139 HydrophobicContact CE-CG1 3.56Å; M53-V139 WeakPolarHBondContact CE-O 3.41Å; M53-L142 HydrophobicContact CE-CB 4.3Å; M53-D143 HydrophobicContact CE-CB 3.63Å; M53-D143 HydrophobicContact SD-CB 3.91Å; M53-E146 HydrophobicContact CG-CB 3.99Å; M53-E146 HydrophobicContact CG-CG 3.99Å
54A98.9Very high98.8Very high9 Ų955.3 Ų55.37%0.07427%0.267CS..Hα-helixtrans-63.8-40.1176.600000111.5M50 Y51 R52 A57 M58 V71 A74 L75M50-A54 WeakPolarHBondContact O-CB 3.48Å; M50-A54 PolarHBondContact O-N 3.03Å; Y51-A54 WeakPolarHBondContact O-CB 3.34Å; Y51-A54 PolarHBondContact O-N 3.22Å; R52-A54 VanDerWaalsContact C-N 3.33Å; R52-A54 PolarHBondContact O-N 3.09Å; A54-A57 WeakPolarHBondContact O-CB 3.45Å; A54-A57 PolarHBondContact O-N 3.5Å; A54-M58 WeakPolarHBondContact O-CG 3.38Å; A54-M58 PolarHBondContact O-N 3.04Å; A54-M58 VanDerWaalsContact O-N 3.17Å; A54-V71 HydrophobicContact CB-CG1 4.31Å; A54-A74 HydrophobicContact CB-CB 4.35Å; A54-L75 HydrophobicContact CB-CD2 3.88Å; A54-L75 HydrophobicContact CB-CG 4.01Å
55V98.9Very high98.8Very high57 Ų5755.5 Ų55.535%0.34527%0.269SS..Hα-helixtrans-63.8-45.3173.1175.60000111Y51 R52 M53 A57 M58 V59Y51-V55 HydrophobicContact CE1-CG2 4.22Å; Y51-V55 HydrophobicContact CE2-CG2 4.23Å; Y51-V55 PolarHBondContact O-N 3.18Å; Y51-V55 VanDerWaalsContact O-N 3.09Å; R52-V55 PolarHBondContact O-N 3.2Å; M53-V55 VanDerWaalsContact C-N 3.33Å; M53-V55 PolarHBondContact O-N 3.41Å; V55-A57 VanDerWaalsContact C-N 3.28Å; V55-A57 PolarHBondContact O-N 2.99Å; V55-M58 WeakPolarHBondContact O-CA 3.45Å; V55-M58 WeakPolarHBondContact O-CB 3.4Å; V55-M58 PolarHBondContact O-N 3.49Å; V55-V59 WeakPolarHBondContact O-CG2 3.4Å; V55-V59 PolarHBondContact O-N 3.39Å; V55-V59 VanDerWaalsContact O-N 3.13Å
56M98.9Very high98.7Very high16 Ų1659 Ų598%0.07929%0.287CS..Hα-helixtrans-58.5-41.4175-71.2167.269.100111.5R52 M53 M58 V59 I60 L142 C145 E146R52-M56 HydrophobicContact CG-CG 4.38Å; R52-M56 HydrophobicContact CG-SD 4.15Å; R52-M56 VanDerWaalsContact O-CG 3.26Å; R52-M56 WeakPolarHBondContact O-CG 3.37Å; R52-M56 PolarHBondContact O-N 3.47Å; M53-M56 WeakPolarHBondContact O-CB 3.31Å; M53-M56 PolarHBondContact O-N 3.34Å; M56-M58 PolarHBondContact O-N 3.39Å; M56-V59 PolarHBondContact O-N 2.86Å; M56-I60 HydrophobicContact CB-CD1 4.05Å; M56-I60 HydrophobicContact CE-CD1 4.16Å; M56-I60 HydrophobicContact CG-CD1 4.49Å; M56-I60 WeakPolarHBondContact O-CB 3.47Å; M56-I60 WeakPolarHBondContact O-CG1 3.41Å; M56-I60 PolarHBondContact O-N 3.16Å; M56-L142 HydrophobicContact CB-CD1 4.29Å; M56-L142 HydrophobicContact CB-CD2 4.21Å; M56-L142 HydrophobicContact CE-CB 4.45Å; M56-L142 HydrophobicContact CE-CD2 4.12Å; M56-C145 HydrophobicContact CE-CB 3.95Å; M56-E146 HydrophobicContact CE-CB 4.04Å; M56-E146 HydrophobicContact SD-CB 3.64Å; M56-E146 HydrophobicContact SD-CG 3.65Å
57A98.9Very high98.7Very high0 Ų061.2 Ų61.20%030%0.296CS..Hα-helixtrans-60-33174.300000111.5M53 A54 V55 K67 C70 V71 L142M53-A57 WeakPolarHBondContact O-CB 3.49Å; M53-A57 PolarHBondContact O-N 2.93Å; A54-A57 WeakPolarHBondContact O-CB 3.45Å; A54-A57 PolarHBondContact O-N 3.5Å; V55-A57 VanDerWaalsContact C-N 3.28Å; V55-A57 PolarHBondContact O-N 2.99Å; A57-K67 WeakPolarHBondContact O-CE 3.45Å; A57-K67 PolarHBondContact O-NZ 3.49Å; A57-C70 HydrophobicContact CB-CB 4.05Å; A57-V71 HydrophobicContact CB-CG2 3.95Å; A57-L142 HydrophobicContact CB-CD1 3.72Å
58M98.9Very high98.7Very high132 Ų13265.4 Ų65.465%0.6532%0.316SS*.Hα-helixtrans-73.9-37.6176.3-63.9168.863.600113.3A54 V55 M56 V71A54-M58 WeakPolarHBondContact O-CG 3.38Å; A54-M58 PolarHBondContact O-N 3.04Å; A54-M58 VanDerWaalsContact O-N 3.17Å; V55-M58 WeakPolarHBondContact O-CA 3.45Å; V55-M58 WeakPolarHBondContact O-CB 3.4Å; V55-M58 PolarHBondContact O-N 3.49Å; M56-M58 PolarHBondContact O-N 3.39Å; M58-V71 HydrophobicContact CG-CG2 3.71Å
59V98.8Very high98.7Very high110 Ų11064.2 Ų64.267%0.66731%0.305SS*.Hα-helixtrans-100.3-22.7-167.8-57.30000114.6V55 M56 K61V55-V59 WeakPolarHBondContact O-CG2 3.4Å; V55-V59 PolarHBondContact O-N 3.39Å; V55-V59 VanDerWaalsContact O-N 3.13Å; M56-V59 PolarHBondContact O-N 2.86Å; V59-K61 PolarHBondContact O-N 2.93Å
60I98.7Very high98.7Very high18 Ų1864.2 Ų64.29%0.09231%0.305CS..SBendtrans-83.6115.6175.6-63.6173.3000108.8M56 K67 F138 L142 E179 I180 L183M56-I60 HydrophobicContact CB-CD1 4.05Å; M56-I60 HydrophobicContact CE-CD1 4.16Å; M56-I60 HydrophobicContact CG-CD1 4.49Å; M56-I60 WeakPolarHBondContact O-CB 3.47Å; M56-I60 WeakPolarHBondContact O-CG1 3.41Å; M56-I60 PolarHBondContact O-N 3.16Å; I60-K67 PolarHBondContact O-NZ 2.67Å; I60-F138 HydrophobicContact CB-CZ 4.13Å; I60-F138 HydrophobicContact CG2-CE2 3.91Å; I60-F138 HydrophobicContact CG2-CZ 3.96Å; I60-L142 HydrophobicContact CD1-CD2 3.63Å; I60-E179 HydrophobicContact CG2-CB 3.71Å; I60-I180 HydrophobicContact CG2-CG1 4.21Å; I60-L183 HydrophobicContact CD1-CD2 3.91Å
61K98.1Very high98.7Very high124 Ų12465 Ų6554%0.53931%0.311SS..  trans-75.7136.7-168.6-168.1179176.4-163.80112.5V59 D63 E179V59-K61 PolarHBondContact O-N 2.93Å; K61-D63 WeakPolarHBondContact CE-OD1 3.5Å; K61-D63 WeakPolarHBondContact CE-OD2 3.42Å; K61-D63 IonicContact NZ-OD1 3.47Å; K61-D63 IonicContact NZ-OD2 3.72Å; K61-D63 PolarHBondContact NZ-OD2 3.37Å; K61-E179 WeakPolarHBondContact O-CG 3.44Å
62D98.4Very high98.7Very high15 Ų1563.1 Ų63.18%0.0830%0.303CS..  trans-156.4109.2157.6-169.9-25.8000108.2R64 L65 H177D62-R64 PolarHBondContact O-N 3.29Å; D62-R64 VanDerWaalsContact O-N 3.13Å; D62-R64 VanDerWaalsContact OD1-CB 3.26Å; D62-R64 WeakPolarHBondContact OD1-CB 3.44Å; D62-R64 IonicContact OD1-CZ 3.74Å; D62-R64 PolarHBondContact OD1-N 3.26Å; D62-R64 IonicContact OD1-NE 2.74Å; D62-R64 PolarHBondContact OD1-NE 3.09Å; D62-R64 IonicContact OD1-NH2 2.87Å; D62-R64 PolarHBondContact OD1-NH2 3.17Å; D62-R64 IonicContact OD2-CZ 3.92Å; D62-R64 IonicContact OD2-NE 3.13Å; D62-R64 PolarHBondContact OD2-NE 2.91Å; D62-R64 IonicContact OD2-NH2 2.71Å; D62-R64 PolarHBondContact OD2-NH2 3.08Å; D62-L65 HydrophobicContact CB-CB 4.31Å; D62-L65 HydrophobicContact CB-CD1 3.71Å; D62-L65 HydrophobicContact CB-CG 3.8Å; D62-L65 PolarHBondContact O-N 3.46Å; D62-H177 IonicContact OD2-CD2 2.75Å; D62-H177 IonicContact OD2-NE2 2.88Å; D62-H177 PolarHBondContact OD2-NE2 3.27Å
63D97.9Very high98.7Very high132 Ų13260.8 Ų60.871%0.70629%0.294SS*.THydrogen-bonded Turntrans-69.8-6.1-176.6-66.5-29.7000113K61K61-D63 WeakPolarHBondContact CE-OD1 3.5Å; K61-D63 WeakPolarHBondContact CE-OD2 3.42Å; K61-D63 IonicContact NZ-OD1 3.47Å; K61-D63 IonicContact NZ-OD2 3.72Å; K61-D63 PolarHBondContact NZ-OD2 3.37Å
64R98.5Very high98.7Very high188 Ų18860.8 Ų60.871%0.70929%0.294SS*.THydrogen-bonded Turntrans-94.4-12.3178.5-55.3163.9-65.6-169.9-0.4112.9D62D62-R64 PolarHBondContact O-N 3.29Å; D62-R64 VanDerWaalsContact O-N 3.13Å; D62-R64 VanDerWaalsContact OD1-CB 3.26Å; D62-R64 WeakPolarHBondContact OD1-CB 3.44Å; D62-R64 IonicContact OD1-CZ 3.74Å; D62-R64 PolarHBondContact OD1-N 3.26Å; D62-R64 IonicContact OD1-NE 2.74Å; D62-R64 PolarHBondContact OD1-NE 3.09Å; D62-R64 IonicContact OD1-NH2 2.87Å; D62-R64 PolarHBondContact OD1-NH2 3.17Å; D62-R64 IonicContact OD2-CZ 3.92Å; D62-R64 IonicContact OD2-NE 3.13Å; D62-R64 PolarHBondContact OD2-NE 2.91Å; D62-R64 IonicContact OD2-NH2 2.71Å; D62-R64 PolarHBondContact OD2-NH2 3.08Å
65L98.7Very high98.7Very high19 Ų1964.1 Ų64.110%0.09931%0.31CS..SBendtrans-101.5145.6-174.3-61.5-178.3000111.8D62 K67 A134 E135 F138D62-L65 HydrophobicContact CB-CB 4.31Å; D62-L65 HydrophobicContact CB-CD1 3.71Å; D62-L65 HydrophobicContact CB-CG 3.8Å; D62-L65 PolarHBondContact O-N 3.46Å; L65-K67 HydrophobicContact CB-CD 4.14Å; L65-K67 PolarHBondContact O-N 3.09Å; L65-K67 VanDerWaalsContact O-N 3.12Å; L65-A134 HydrophobicContact CD2-CB 3.59Å; L65-E135 HydrophobicContact CB-CG 4.49Å; L65-E135 HydrophobicContact CD2-CG 4.35Å; L65-F138 HydrophobicContact CD1-CB 3.54Å; L65-F138 HydrophobicContact CD1-CD1 3.72Å; L65-F138 HydrophobicContact CD1-CD2 3.72Å; L65-F138 HydrophobicContact CD1-CE1 4.34Å; L65-F138 HydrophobicContact CD1-CE2 4.34Å; L65-F138 HydrophobicContact CD1-CG 3.36Å
66N98.8Very high98.7Very high84 Ų8461.9 Ų61.945%0.44930%0.296SS..  trans-75.398.7163.5-175.5-23.2000110.1D68 R69 C70 E135N66-D68 VanDerWaalsContact C-N 3.33Å; N66-D68 PolarHBondContact O-N 2.89Å; N66-D68 PolarHBondContact OD1-N 2.97Å; N66-R69 HydrophobicContact CB-CB 3.87Å; N66-R69 WeakPolarHBondContact O-CB 3.4Å; N66-R69 PolarHBondContact O-N 2.88Å; N66-R69 VanDerWaalsContact O-N 3.11Å; N66-R69 PolarHBondContact OD1-N 3.5Å; N66-R69 VanDerWaalsContact OD1-N 3.07Å; N66-C70 PolarHBondContact O-N 2.93Å; N66-C70 PolarHBondContact O-SG 3.28Å; N66-C70 VanDerWaalsContact O-SG 3.4Å; N66-E135 HydrophobicContact CB-CG 4.49Å; N66-E135 PolarHBondContact N-OE1 3.19Å
67K98.8Very high98.7Very high47 Ų4761.3 Ų61.320%0.20429%0.294CS..Hα-helixtrans-64.3-34.1-176.4-56.7-56.9-61.1-178.30113.3A57 I60 L65 R69 C70 V71 F138A57-K67 WeakPolarHBondContact O-CE 3.45Å; A57-K67 PolarHBondContact O-NZ 3.49Å; I60-K67 PolarHBondContact O-NZ 2.67Å; L65-K67 HydrophobicContact CB-CD 4.14Å; L65-K67 PolarHBondContact O-N 3.09Å; L65-K67 VanDerWaalsContact O-N 3.12Å; K67-R69 VanDerWaalsContact C-N 3.32Å; K67-R69 PolarHBondContact O-N 2.62Å; K67-C70 WeakPolarHBondContact O-CB 3.3Å; K67-C70 PolarHBondContact O-N 3.15Å; K67-V71 WeakPolarHBondContact O-CG2 3.38Å; K67-V71 PolarHBondContact O-N 3.35Å; K67-F138 VanDerWaalsContact NZ-CE1 3.27Å; K67-F138 VanDerWaalsContact NZ-CZ 3.28Å
68D98.9Very high98.7Very high117 Ų11762.1 Ų62.163%0.62630%0.298SS*.Hα-helixtrans-65.2-37.7174.4-69.9-25.6000111.3N66 V71 R72N66-D68 VanDerWaalsContact C-N 3.33Å; N66-D68 PolarHBondContact O-N 2.89Å; N66-D68 PolarHBondContact OD1-N 2.97Å; D68-V71 PolarHBondContact O-N 3.44Å; D68-R72 WeakPolarHBondContact O-CG 3.37Å; D68-R72 PolarHBondContact O-N 3.45Å; D68-R72 VanDerWaalsContact O-N 3.1Å
69R98.8Very high98.7Very high58 Ų5856.4 Ų56.422%0.21927%0.27CS..Hα-helixtrans-65.4-44.3173.2-170.474.8179.2159.63.1110.8N66 K67 V71 R72 L73 L124 E127 E135N66-R69 HydrophobicContact CB-CB 3.87Å; N66-R69 WeakPolarHBondContact O-CB 3.4Å; N66-R69 PolarHBondContact O-N 2.88Å; N66-R69 VanDerWaalsContact O-N 3.11Å; N66-R69 PolarHBondContact OD1-N 3.5Å; N66-R69 VanDerWaalsContact OD1-N 3.07Å; K67-R69 VanDerWaalsContact C-N 3.32Å; K67-R69 PolarHBondContact O-N 2.62Å; R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 2.95Å; R69-R72 PolarHBondContact O-N 3.12Å; R69-R72 VanDerWaalsContact O-N 3.16Å; R69-L73 HydrophobicContact CG-CD1 4.28Å; R69-L73 WeakPolarHBondContact O-CG 3.31Å; R69-L73 PolarHBondContact O-N 2.89Å; R69-L124 VanDerWaalsContact NH1-CG 3.27Å; R69-E127 IonicContact CZ-OE2 3.69Å; R69-E127 IonicContact NE-OE2 3.83Å; R69-E127 PolarHBondContact NE-OE2 2.85Å; R69-E127 IonicContact NH2-OE2 2.62Å; R69-E127 PolarHBondContact NH2-OE2 3.29Å; R69-E135 HydrophobicContact CB-CG 4.35Å; R69-E135 HydrophobicContact CG-CG 4.4Å
70C98.9Very high98.7Very high0 Ų051.2 Ų51.20%024%0.238CC..Hα-helixtrans-57.4-42.8175.2-63.50000112.6A57 N66 K67 L73 A74 E135 F138 V139A57-C70 HydrophobicContact CB-CB 4.05Å; N66-C70 PolarHBondContact O-N 2.93Å; N66-C70 PolarHBondContact O-SG 3.28Å; N66-C70 VanDerWaalsContact O-SG 3.4Å; K67-C70 WeakPolarHBondContact O-CB 3.3Å; K67-C70 PolarHBondContact O-N 3.15Å; C70-L73 PolarHBondContact O-N 2.95Å; C70-A74 WeakPolarHBondContact O-CB 3.38Å; C70-A74 PolarHBondContact O-N 3.14Å; C70-E135 VanDerWaalsContact SG-CG 3.58Å; C70-F138 HydrophobicContact CB-CD1 4.22Å; C70-F138 HydrophobicContact CB-CE1 4.35Å; C70-V139 HydrophobicContact CB-CG2 3.87Å; C70-V139 WeakPolarHBondContact O-CG2 3.42Å
71V98.9Very high98.7Very high28 Ų2850.6 Ų50.617%0.1724%0.235CC..Hα-helixtrans-61.6-45.9175.81690000110.8A54 A57 M58 K67 D68 R69 L73 A74 L75A54-V71 HydrophobicContact CB-CG1 4.31Å; A57-V71 HydrophobicContact CB-CG2 3.95Å; M58-V71 HydrophobicContact CG-CG2 3.71Å; K67-V71 WeakPolarHBondContact O-CG2 3.38Å; K67-V71 PolarHBondContact O-N 3.35Å; D68-V71 PolarHBondContact O-N 3.44Å; R69-V71 VanDerWaalsContact C-N 3.32Å; R69-V71 PolarHBondContact O-N 2.95Å; V71-L73 PolarHBondContact O-N 3.25Å; V71-A74 PolarHBondContact O-N 3.1Å; V71-L75 HydrophobicContact CG1-CD1 3.92Å; V71-L75 VanDerWaalsContact O-CG 3.3Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 3.26Å
72R98.9Very high98.8Very high122 Ų12245.1 Ų45.146%0.4621%0.212SC..Hα-helixtrans-64.4-39.7177.8-68.2-178.6-164.1-150.71.7112.5D68 R69 L75 V76 E120 L124D68-R72 WeakPolarHBondContact O-CG 3.37Å; D68-R72 PolarHBondContact O-N 3.45Å; D68-R72 VanDerWaalsContact O-N 3.1Å; R69-R72 PolarHBondContact O-N 3.12Å; R69-R72 VanDerWaalsContact O-N 3.16Å; R72-L75 PolarHBondContact O-N 3.08Å; R72-V76 WeakPolarHBondContact O-CB 3.49Å; R72-V76 VanDerWaalsContact O-CG2 3.24Å; R72-V76 WeakPolarHBondContact O-CG2 3.19Å; R72-V76 PolarHBondContact O-N 3.03Å; R72-E120 IonicContact CZ-OE1 3.12Å; R72-E120 IonicContact NH1-OE1 2.65Å; R72-E120 PolarHBondContact NH1-OE1 2.83Å; R72-E120 IonicContact NH1-OE2 2.64Å; R72-L124 HydrophobicContact CB-CD1 3.82Å; R72-L124 HydrophobicContact CB-CD2 3.84Å
73L98.9Very high98.8Very high1 Ų147.7 Ų47.71%0.00523%0.225CC..Hα-helixtrans-60.3-49.6173.9-74167000110.8R69 C70 V71 L75 V76 H77 L124 E127 E135 V139R69-L73 HydrophobicContact CG-CD1 4.28Å; R69-L73 WeakPolarHBondContact O-CG 3.31Å; R69-L73 PolarHBondContact O-N 2.89Å; C70-L73 PolarHBondContact O-N 2.95Å; V71-L73 PolarHBondContact O-N 3.25Å; L73-L75 VanDerWaalsContact C-N 3.26Å; L73-L75 PolarHBondContact O-N 3.06Å; L73-V76 PolarHBondContact O-N 3.18Å; L73-V76 VanDerWaalsContact O-N 3.09Å; L73-H77 WeakPolarHBondContact O-CB 3.24Å; L73-H77 PolarHBondContact O-N 3.29Å; L73-L124 HydrophobicContact CD2-CB 4.39Å; L73-L124 HydrophobicContact CD2-CD2 3.63Å; L73-L124 WeakPolarHBondContact CD2-O 3.39Å; L73-L124 HydrophobicContact CG-CD2 3.73Å; L73-E127 HydrophobicContact CD2-CB 4.15Å; L73-E127 HydrophobicContact CD2-CG 4.28Å; L73-E135 HydrophobicContact CD1-CB 3.64Å; L73-V139 HydrophobicContact CB-CB 4.47Å; L73-V139 HydrophobicContact CB-CG1 4.34Å; L73-V139 HydrophobicContact CB-CG2 4.01Å; L73-V139 HydrophobicContact CD1-CG2 4.33Å
74A98.9Very high98.8Very high0 Ų043.1 Ų43.10%020%0.202CC..Hα-helixtrans-57.1-39.3177.900000112.3M50 M53 A54 C70 V71 V76 H77 V139M50-A74 WeakPolarHBondContact CG-O 3.26Å; M50-A74 VanDerWaalsContact SD-O 3.36Å; M53-A74 HydrophobicContact CB-CB 4Å; M53-A74 HydrophobicContact CE-CB 4.33Å; A54-A74 HydrophobicContact CB-CB 4.35Å; C70-A74 WeakPolarHBondContact O-CB 3.38Å; C70-A74 PolarHBondContact O-N 3.14Å; V71-A74 PolarHBondContact O-N 3.1Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 2.83Å; A74-H77 PolarHBondContact O-CE1 3.24Å; A74-H77 PolarHBondContact O-ND1 3.26Å; A74-V139 HydrophobicContact CB-CG1 4.1Å
75L98.9Very high98.8Very high79 Ų7935.4 Ų35.441%0.41418%0.181SC..Hα-helixtrans-76.6-13.1179.5-68.6171.8000115A54 V71 R72 L73A54-L75 HydrophobicContact CB-CD2 3.88Å; A54-L75 HydrophobicContact CB-CG 4.01Å; V71-L75 HydrophobicContact CG1-CD1 3.92Å; V71-L75 VanDerWaalsContact O-CG 3.3Å; V71-L75 WeakPolarHBondContact O-CG 3.39Å; V71-L75 PolarHBondContact O-N 3.26Å; R72-L75 PolarHBondContact O-N 3.08Å; L73-L75 VanDerWaalsContact C-N 3.26Å; L73-L75 PolarHBondContact O-N 3.06Å
76V98.9Very high98.7Very high9 Ų935.3 Ų35.36%0.05518%0.181CC..Hα-helixtrans-116.3-26.6-172.4174.60000112.9R72 L73 A74 D78 M79 M106 L121 L124 W125R72-V76 WeakPolarHBondContact O-CB 3.49Å; R72-V76 VanDerWaalsContact O-CG2 3.24Å; R72-V76 WeakPolarHBondContact O-CG2 3.19Å; R72-V76 PolarHBondContact O-N 3.03Å; L73-V76 PolarHBondContact O-N 3.18Å; L73-V76 VanDerWaalsContact O-N 3.09Å; A74-V76 VanDerWaalsContact C-N 3.33Å; A74-V76 PolarHBondContact O-N 2.83Å; V76-D78 PolarHBondContact O-N 3.32Å; V76-M79 HydrophobicContact CG2-CE 4.1Å; V76-M79 WeakPolarHBondContact O-CB 3.47Å; V76-M79 PolarHBondContact O-N 3.39Å; V76-M106 HydrophobicContact CG1-CE 4.23Å; V76-L121 HydrophobicContact CG2-CG 4.23Å; V76-L124 HydrophobicContact CB-CB 4.32Å; V76-L124 HydrophobicContact CG1-CB 4.02Å; V76-L124 HydrophobicContact CG2-CD1 4.18Å; V76-W125 HydrophobicContact CG1-CB 4.13Å
77H98.8Very high98.6Very high5 Ų532.5 Ų32.52%0.02317%0.165CC..THydrogen-bonded Turntrans-58-42.1-167.578.6-71.6000114.6H49 M53 L73 A74 Y128H49-H77 AromaticContact NE2-NE2 3.93Å; M53-H77 VanDerWaalsContact CE-CE1 3.46Å; M53-H77 WeakPolarHBondContact CE-CE1 3.33Å; M53-H77 PolarHBondContact SD-CE1 3.4Å; L73-H77 WeakPolarHBondContact O-CB 3.24Å; L73-H77 PolarHBondContact O-N 3.29Å; A74-H77 PolarHBondContact O-CE1 3.24Å; A74-H77 PolarHBondContact O-ND1 3.26Å; H77-Y128 HydrophobicContact CB-CD1 3.52Å; H77-Y128 HydrophobicContact CB-CD2 3.9Å; H77-Y128 HydrophobicContact CB-CE1 3.73Å; H77-Y128 HydrophobicContact CB-CE2 4.13Å; H77-Y128 HydrophobicContact CB-CG 3.56Å; H77-Y128 AromaticContact CD2-CE1 3.38Å; H77-Y128 WeakPolarHBondContact CD2-CE1 3.29Å; H77-Y128 AromaticContact CD2-CZ 3.3Å; H77-Y128 PolarHBondContact CD2-OH 3.49Å; H77-Y128 VanDerWaalsContact CD2-OH 3.31Å; H77-Y128 AromaticContact CG-CE1 3.9Å; H77-Y128 AromaticContact CG-CZ 3.85Å
78D98.8Very high98.4Very high16 Ų1630.8 Ų30.89%0.08616%0.16CC..THydrogen-bonded Turntrans-95.514.3176.9-72.1-10.1000112.9V46 H49 M50 V76 A80 E81V46-D78 HydrophobicContact CG1-CB 3.73Å; H49-D78 IonicContact CD2-OD2 2.73Å; H49-D78 IonicContact NE2-OD2 2.93Å; M50-D78 HydrophobicContact CG-CB 4.34Å; M50-D78 HydrophobicContact SD-CB 3.93Å; V76-D78 PolarHBondContact O-N 3.32Å; D78-A80 PolarHBondContact O-N 2.97Å; D78-E81 HydrophobicContact CB-CG 4.2Å; D78-E81 VanDerWaalsContact O-CB 3.3Å; D78-E81 WeakPolarHBondContact O-CB 3.29Å; D78-E81 WeakPolarHBondContact O-CG 3.34Å; D78-E81 PolarHBondContact O-N 2.89Å; D78-E81 VanDerWaalsContact O-N 3.08Å
79M98.8Very high97.9Very high12 Ų1231.2 Ų31.26%0.05917%0.169CC..THydrogen-bonded Turntrans-61.7-29.4-177.9-175173.4-64.500112.8F20 V24 V76 E81 C82 M106 I109 L121F20-M79 HydrophobicContact CE2-SD 4.1Å; F20-M79 HydrophobicContact CZ-SD 4.16Å; V24-M79 HydrophobicContact CG2-CE 4.25Å; V24-M79 HydrophobicContact CG2-SD 4.13Å; V76-M79 HydrophobicContact CG2-CE 4.1Å; V76-M79 WeakPolarHBondContact O-CB 3.47Å; V76-M79 PolarHBondContact O-N 3.39Å; M79-E81 PolarHBondContact O-N 3.24Å; M79-C82 WeakPolarHBondContact O-CB 3.43Å; M79-C82 PolarHBondContact O-N 2.85Å; M79-C82 PolarHBondContact O-SG 2.89Å; M79-C82 VanDerWaalsContact O-SG 3.41Å; M79-M106 HydrophobicContact CB-SD 4.01Å; M79-M106 HydrophobicContact CG-SD 4.3Å; M79-I109 HydrophobicContact CG-CD1 4.44Å; M79-I109 HydrophobicContact CG-CG2 4.4Å; M79-I109 HydrophobicContact SD-CG2 4.02Å; M79-L121 HydrophobicContact CE-CD2 4.35Å; M79-L121 HydrophobicContact SD-CD2 4.23Å
80A98.8Very high97.6Very high1 Ų131.6 Ų31.61%0.00819%0.185CC..THydrogen-bonded Turntrans-59.2-28.9176.700000113.1D78 C82 I83 V84 E102 A105 M106D78-A80 PolarHBondContact O-N 2.97Å; A80-C82 PolarHBondContact O-N 2.86Å; A80-C82 VanDerWaalsContact O-N 3.1Å; A80-I83 PolarHBondContact O-N 3.45Å; A80-V84 PolarHBondContact O-N 3.38Å; A80-E102 HydrophobicContact CB-CB 3.81Å; A80-E102 HydrophobicContact CB-CG 3.88Å; A80-A105 HydrophobicContact CB-CB 4.25Å; A80-M106 HydrophobicContact CB-CG 3.85Å; A80-M106 HydrophobicContact CB-SD 4.19Å
81E98.8Very high97.5Very high5 Ų534 Ų342%0.02320%0.197CC..Hα-helixtrans-65.6-14.9-177.4-59.2-171.2174.300112.6L27 V46 D78 M79 I83 G85 D86L27-E81 HydrophobicContact CD2-CB 4.14Å; V46-E81 WeakPolarHBondContact CG1-OE2 3.27Å; V46-E81 WeakPolarHBondContact CG2-OE2 3.11Å; D78-E81 HydrophobicContact CB-CG 4.2Å; D78-E81 VanDerWaalsContact O-CB 3.3Å; D78-E81 WeakPolarHBondContact O-CB 3.29Å; D78-E81 WeakPolarHBondContact O-CG 3.34Å; D78-E81 PolarHBondContact O-N 2.89Å; D78-E81 VanDerWaalsContact O-N 3.08Å; M79-E81 PolarHBondContact O-N 3.24Å; E81-I83 PolarHBondContact O-N 2.95Å; E81-G85 VanDerWaalsContact O-CA 3.27Å; E81-G85 WeakPolarHBondContact O-CA 3.33Å; E81-G85 PolarHBondContact O-N 3.22Å; E81-D86 WeakPolarHBondContact OE2-CB 3.3Å
82C98.6Very high97.3Very high9 Ų939.3 Ų39.36%0.06123%0.225CC..Hα-helixtrans-63.1-26.6173.288.80000112.2L23 Q26 L27 M79 A80 I109L23-C82 VanDerWaalsContact O-CB 3.26Å; L23-C82 WeakPolarHBondContact O-CB 3.4Å; Q26-C82 HydrophobicContact CB-CB 4.2Å; Q26-C82 PolarHBondContact OE1-O 3.46Å; L27-C82 HydrophobicContact CD1-CB 4.42Å; L27-C82 HydrophobicContact CD2-CB 3.65Å; L27-C82 VanDerWaalsContact CD2-N 3.35Å; L27-C82 HydrophobicContact CG-CB 3.66Å; M79-C82 WeakPolarHBondContact O-CB 3.43Å; M79-C82 PolarHBondContact O-N 2.85Å; M79-C82 PolarHBondContact O-SG 2.89Å; M79-C82 VanDerWaalsContact O-SG 3.41Å; A80-C82 PolarHBondContact O-N 2.86Å; A80-C82 VanDerWaalsContact O-N 3.1Å; C82-I109 VanDerWaalsContact SG-CD1 3.54Å
83I98.6Very high97.1Very high69 Ų6936.1 Ų36.135%0.35422%0.216SC..Hα-helixtrans-103.5-45174.1-65.1177.6000110.9L23 A80 E81 A105 Q108 I109L23-I83 HydrophobicContact CD2-CG1 4.28Å; A80-I83 PolarHBondContact O-N 3.45Å; E81-I83 PolarHBondContact O-N 2.95Å; I83-A105 HydrophobicContact CB-CB 3.96Å; I83-A105 HydrophobicContact CD1-CB 4.23Å; I83-A105 HydrophobicContact CG2-CB 4.19Å; I83-Q108 HydrophobicContact CD1-CB 4.25Å; I83-I109 HydrophobicContact CD1-CD1 4.06Å; I83-I109 HydrophobicContact CD1-CG1 3.67Å; I83-I109 HydrophobicContact CG1-CD1 4.38Å; I83-I109 HydrophobicContact CG1-CG1 4.36Å
84V98.1Very high97Very high37 Ų3739.6 Ų39.622%0.22424%0.239CC..Hα-helixtrans-78.6-26.4-170.9-178.50000112.5A80 I87 R101 E102 A105A80-V84 PolarHBondContact O-N 3.38Å; V84-I87 HydrophobicContact CG1-CD1 3.46Å; V84-I87 VanDerWaalsContact CG1-CD1 3.46Å; V84-I87 HydrophobicContact CG1-CG1 4.05Å; V84-R101 HydrophobicContact CG1-CB 4.12Å; V84-R101 HydrophobicContact CG2-CB 4.17Å; V84-E102 HydrophobicContact CG1-CG 4.4Å; V84-E102 HydrophobicContact CG2-CG 4.18Å; V84-A105 HydrophobicContact CG2-CB 3.64Å
85G98.3Very high96.6Very high26 Ų2647.5 Ų47.527%0.26827%0.273SS..  trans77.7163.4-160.500000111.8E81 I87E81-G85 VanDerWaalsContact O-CA 3.27Å; E81-G85 WeakPolarHBondContact O-CA 3.33Å; E81-G85 PolarHBondContact O-N 3.22Å; G85-I87 PolarHBondContact O-N 3.13Å
86D98.2Very high96.5Very high16 Ų1650.4 Ų50.49%0.08629%0.285CS..  trans-76.8107.6173.7175.813.2000109.6V30 R32 T33 V46 E81V30-D86 HydrophobicContact CG1-CB 4.01Å; R32-D86 VanDerWaalsContact CA-OD2 3.23Å; R32-D86 WeakPolarHBondContact CA-OD2 3.44Å; R32-D86 WeakPolarHBondContact CD-OD2 3.36Å; T33-D86 WeakPolarHBondContact CB-O 3.39Å; T33-D86 PolarHBondContact N-OD2 2.71Å; T33-D86 PolarHBondContact OG1-O 3.47Å; V46-D86 HydrophobicContact CG2-CB 4.16Å; E81-D86 WeakPolarHBondContact OE2-CB 3.3Å
87I96.3Very high96.4Very high25 Ų2552.4 Ų52.413%0.12829%0.294CS..  trans-88111.7179.7-63.6175.8000109.1V84 G85 D91 I93 K98V84-I87 HydrophobicContact CG1-CD1 3.46Å; V84-I87 VanDerWaalsContact CG1-CD1 3.46Å; V84-I87 HydrophobicContact CG1-CG1 4.05Å; G85-I87 PolarHBondContact O-N 3.13Å; I87-D91 HydrophobicContact CG2-CB 4.2Å; I87-I93 HydrophobicContact CG2-CB 3.92Å; I87-I93 HydrophobicContact CG2-CG1 3.84Å; I87-K98 HydrophobicContact CD1-CG 4.3Å
88A93.4Very high96.2Very high11 Ų1154.8 Ų54.89%0.09130%0.304CS..  trans-89.8160.9177.300000112.1T33 Y37 A90 D91T33-A88 HydrophobicContact CG2-CB 3.63Å; Y37-A88 HydrophobicContact CD2-CB 4.38Å; Y37-A88 HydrophobicContact CE2-CB 4.21Å; A88-A90 PolarHBondContact O-N 3.12Å; A88-A90 VanDerWaalsContact O-N 3.09Å; A88-D91 PolarHBondContact N-OD2 3.3Å; A88-D91 WeakPolarHBondContact O-CB 3.46Å; A88-D91 PolarHBondContact O-N 3.13Å
89P89.4Confident96Very high127 Ų12757.2 Ų57.283%0.82532%0.315SS*.G310 helixtrans-53.5-32.2174.8-28.235.9000114.2D91 N92P89-D91 PolarHBondContact O-N 2.81Å; P89-N92 PolarHBondContact O-N 2.82Å
90A93.2Very high96Very high65 Ų6562.6 Ų62.654%0.53733%0.334SS..G310 helixtrans-67.6-17.3179.400000113.8Y37 A88 N92Y37-A90 HydrophobicContact CD2-CB 3.72Å; Y37-A90 HydrophobicContact CE2-CB 3.8Å; A88-A90 PolarHBondContact O-N 3.12Å; A88-A90 VanDerWaalsContact O-N 3.09Å; A90-N92 PolarHBondContact O-N 2.76Å; A90-N92 PolarHBondContact O-ND2 3.25Å
91D95.1Very high96Very high50 Ų5067.2 Ų67.227%0.26735%0.351SS..G310 helixtrans-76.8-9.4178.1-61.1-42.8000112.8Y37 I87 A88 P89 I93Y37-D91 WeakPolarHBondContact CE2-OD1 3.33Å; Y37-D91 PolarHBondContact OH-OD1 3.06Å; I87-D91 HydrophobicContact CG2-CB 4.2Å; A88-D91 PolarHBondContact N-OD2 3.3Å; A88-D91 WeakPolarHBondContact O-CB 3.46Å; A88-D91 PolarHBondContact O-N 3.13Å; P89-D91 PolarHBondContact O-N 2.81Å; D91-I93 HydrophobicContact CB-CG1 4.09Å; D91-I93 PolarHBondContact O-N 2.97Å; D91-I93 VanDerWaalsContact O-N 3.11Å
92N95.1Very high96Very high141 Ų14167.2 Ų67.275%0.75435%0.351SS*.  trans53.331177-61.2-73.2000114P89 A90P89-N92 PolarHBondContact O-N 2.82Å; A90-N92 PolarHBondContact O-N 2.76Å; A90-N92 PolarHBondContact O-ND2 3.25Å
93I95.8Very high96Very high54 Ų5469.2 Ų69.228%0.27736%0.36SS..  trans-79.3125.3173.6-56.2-58.3000108.9I87 D91 E97 K98I87-I93 HydrophobicContact CG2-CB 3.92Å; I87-I93 HydrophobicContact CG2-CG1 3.84Å; D91-I93 HydrophobicContact CB-CG1 4.09Å; D91-I93 PolarHBondContact O-N 2.97Å; D91-I93 VanDerWaalsContact O-N 3.11Å; I93-E97 HydrophobicContact CG2-CB 4.03Å; I93-E97 HydrophobicContact CG2-CG 3.91Å; I93-K98 HydrophobicContact CG2-CB 4.22Å
94P96.5Very high96Very high74 Ų7470.1 Ų70.148%0.48136%0.363SS..  trans-56.9146175.4-25.134.4000111.8E96 E97 K98P94-E96 PolarHBondContact O-N 2.73Å; P94-E97 HydrophobicContact CB-CB 4.35Å; P94-E97 PolarHBondContact O-N 3.32Å; P94-K98 PolarHBondContact O-N 2.74Å
95K91.4Very high96Very high166 Ų16668.4 Ų68.472%0.72235%0.353SS*.Hα-helixtrans-55.4-40.8-178.3-175-179.7177.7-176.40111.8E97 K98 H99K95-E97 VanDerWaalsContact C-N 3.33Å; K95-E97 PolarHBondContact O-N 3.11Å; K95-K98 PolarHBondContact O-N 2.98Å; K95-H99 WeakPolarHBondContact O-CB 3.35Å; K95-H99 PolarHBondContact O-N 2.9Å
96E94.9Very high96Very high141 Ų14167.2 Ų67.266%0.65934%0.34SS*.Hα-helixtrans-65.6-37179.8-59.571.9-156.100111.6P94 R100P94-E96 PolarHBondContact O-N 2.73Å; E96-R100 VanDerWaalsContact O-CB 3.31Å; E96-R100 WeakPolarHBondContact O-CB 3.24Å; E96-R100 PolarHBondContact O-N 2.69Å
97E97.3Very high96Very high50 Ų5070.6 Ų70.623%0.23435%0.354CS..Hα-helixtrans-76.3-37.7177.8176.959.7-171.100111.8I93 P94 K95 R100 R101I93-E97 HydrophobicContact CG2-CB 4.03Å; I93-E97 HydrophobicContact CG2-CG 3.91Å; P94-E97 HydrophobicContact CB-CB 4.35Å; P94-E97 PolarHBondContact O-N 3.32Å; K95-E97 VanDerWaalsContact C-N 3.33Å; K95-E97 PolarHBondContact O-N 3.11Å; E97-R100 PolarHBondContact O-N 3.45Å; E97-R100 IonicContact OE1-CZ 3.45Å; E97-R100 IonicContact OE1-NE 3.35Å; E97-R100 IonicContact OE1-NH2 3.54Å; E97-R100 PolarHBondContact OE1-NH2 3.41Å; E97-R100 IonicContact OE2-CZ 2.73Å; E97-R100 IonicContact OE2-NE 3.43Å; E97-R100 PolarHBondContact OE2-NE 2.88Å; E97-R100 IonicContact OE2-NH2 3.55Å; E97-R100 PolarHBondContact OE2-NH2 2.67Å; E97-R101 VanDerWaalsContact O-CG 3.29Å; E97-R101 WeakPolarHBondContact O-CG 3.39Å; E97-R101 PolarHBondContact O-N 3.2Å; E97-R101 IonicContact OE1-CZ 2.69Å; E97-R101 IonicContact OE1-NE 2.67Å; E97-R101 PolarHBondContact OE1-NE 3.29Å; E97-R101 IonicContact OE1-NH2 3.41Å; E97-R101 PolarHBondContact OE1-NH2 3.31Å; E97-R101 VanDerWaalsContact OE1-NH2 3.09Å
98K95Very high96.1Very high56 Ų5673 Ų7324%0.24337%0.365CS..Hα-helixtrans-57.2-53.7170.7178.3-179.5-174.9-67.20109.8I87 I93 P94 K95 R100 R101 E102I87-K98 HydrophobicContact CD1-CG 4.3Å; I93-K98 HydrophobicContact CG2-CB 4.22Å; P94-K98 PolarHBondContact O-N 2.74Å; K95-K98 PolarHBondContact O-N 2.98Å; K98-R100 PolarHBondContact O-N 2.53Å; K98-R101 PolarHBondContact O-N 3.32Å; K98-R101 VanDerWaalsContact O-N 3.15Å; K98-E102 WeakPolarHBondContact CE-OE1 3.38Å; K98-E102 WeakPolarHBondContact CG-OE1 3.4Å; K98-E102 IonicContact NZ-OE1 3.7Å; K98-E102 PolarHBondContact NZ-OE1 3.45Å; K98-E102 IonicContact NZ-OE2 3.57Å; K98-E102 PolarHBondContact NZ-OE2 2.86Å; K98-E102 WeakPolarHBondContact O-CG 3.27Å; K98-E102 PolarHBondContact O-N 3.15Å
99H95.5Very high96.4Very high67 Ų6772.5 Ų72.531%0.3136%0.36SS..Hα-helixtrans-56.5-48.1178.9-178.673.9000111.9K95 R101 E102 E103 W125 E129K95-H99 WeakPolarHBondContact O-CB 3.35Å; K95-H99 PolarHBondContact O-N 2.9Å; H99-R101 VanDerWaalsContact C-N 3.32Å; H99-R101 PolarHBondContact O-N 3.42Å; H99-E102 PolarHBondContact O-N 3.44Å; H99-E103 VanDerWaalsContact O-CB 3.29Å; H99-E103 WeakPolarHBondContact O-CB 3.03Å; H99-E103 PolarHBondContact O-N 2.99Å; H99-W125 AromaticContact CE1-CH2 3.86Å; H99-E129 IonicContact CE1-OE2 2.74Å; H99-E129 IonicContact CG-OE2 3.81Å; H99-E129 IonicContact ND1-OE2 2.8Å; H99-E129 PolarHBondContact ND1-OE2 3.41Å
100R98.4Very high96.8Very high125 Ų12566.6 Ų66.647%0.47232%0.322SS..Hα-helixtrans-58.9-40.6178.3-169.2-162.466.371.21.4112.7E96 E97 K98 E104E96-R100 VanDerWaalsContact O-CB 3.31Å; E96-R100 WeakPolarHBondContact O-CB 3.24Å; E96-R100 PolarHBondContact O-N 2.69Å; E97-R100 PolarHBondContact O-N 3.45Å; E97-R100 IonicContact OE1-CZ 3.45Å; E97-R100 IonicContact OE1-NE 3.35Å; E97-R100 IonicContact OE1-NH2 3.54Å; E97-R100 PolarHBondContact OE1-NH2 3.41Å; E97-R100 IonicContact OE2-CZ 2.73Å; E97-R100 IonicContact OE2-NE 3.43Å; E97-R100 PolarHBondContact OE2-NE 2.88Å; E97-R100 IonicContact OE2-NH2 3.55Å; E97-R100 PolarHBondContact OE2-NH2 2.67Å; K98-R100 PolarHBondContact O-N 2.53Å; R100-E104 WeakPolarHBondContact O-CB 3.47Å; R100-E104 PolarHBondContact O-N 2.93Å
101R98.4Very high97.1Very high97 Ų9767.5 Ų67.537%0.36632%0.315SS..Hα-helixtrans-67.6-44.4178.2-72.9177.2-172.4-170.56.5111.6V84 E97 K98 H99 E104 A105V84-R101 HydrophobicContact CG1-CB 4.12Å; V84-R101 HydrophobicContact CG2-CB 4.17Å; E97-R101 VanDerWaalsContact O-CG 3.29Å; E97-R101 WeakPolarHBondContact O-CG 3.39Å; E97-R101 PolarHBondContact O-N 3.2Å; E97-R101 IonicContact OE1-CZ 2.69Å; E97-R101 IonicContact OE1-NE 2.67Å; E97-R101 PolarHBondContact OE1-NE 3.29Å; E97-R101 IonicContact OE1-NH2 3.41Å; E97-R101 PolarHBondContact OE1-NH2 3.31Å; E97-R101 VanDerWaalsContact OE1-NH2 3.09Å; K98-R101 PolarHBondContact O-N 3.32Å; K98-R101 VanDerWaalsContact O-N 3.15Å; H99-R101 VanDerWaalsContact C-N 3.32Å; H99-R101 PolarHBondContact O-N 3.42Å; R101-E104 PolarHBondContact O-N 3.31Å; R101-A105 WeakPolarHBondContact O-CB 2.67Å; R101-A105 PolarHBondContact O-N 3.39Å
102E98.3Very high97.2Very high5 Ų565.7 Ų65.72%0.02331%0.306CS..Hα-helixtrans-70-39.2-178.8-71.6171.1175.700112A80 V84 K98 H99 E104 A105 M106 W125A80-E102 HydrophobicContact CB-CB 3.81Å; A80-E102 HydrophobicContact CB-CG 3.88Å; V84-E102 HydrophobicContact CG1-CG 4.4Å; V84-E102 HydrophobicContact CG2-CG 4.18Å; K98-E102 WeakPolarHBondContact CE-OE1 3.38Å; K98-E102 WeakPolarHBondContact CG-OE1 3.4Å; K98-E102 IonicContact NZ-OE1 3.7Å; K98-E102 PolarHBondContact NZ-OE1 3.45Å; K98-E102 IonicContact NZ-OE2 3.57Å; K98-E102 PolarHBondContact NZ-OE2 2.86Å; K98-E102 WeakPolarHBondContact O-CG 3.27Å; K98-E102 PolarHBondContact O-N 3.15Å; H99-E102 PolarHBondContact O-N 3.44Å; E102-E104 PolarHBondContact O-N 3.22Å; E102-A105 PolarHBondContact O-N 3.42Å; E102-M106 WeakPolarHBondContact O-CB 3.26Å; E102-M106 WeakPolarHBondContact O-CG 3.36Å; E102-M106 PolarHBondContact O-N 2.88Å; E102-W125 HydrophobicContact CB-CZ2 3.95Å
103E98.5Very high97.3Very high52 Ų5259.2 Ų59.224%0.24327%0.271CS..Hα-helixtrans-59.6-47.7174-167.3-168170.100111.1H99 M106 K107 Y122 W125H99-E103 VanDerWaalsContact O-CB 3.29Å; H99-E103 WeakPolarHBondContact O-CB 3.03Å; H99-E103 PolarHBondContact O-N 2.99Å; E103-M106 PolarHBondContact O-N 2.99Å; E103-K107 VanDerWaalsContact CD-NZ 3.33Å; E103-K107 WeakPolarHBondContact O-CG 3.46Å; E103-K107 PolarHBondContact O-N 2.7Å; E103-K107 WeakPolarHBondContact OE1-CE 2.86Å; E103-K107 IonicContact OE1-NZ 3.43Å; E103-K107 PolarHBondContact OE1-NZ 2.81Å; E103-Y122 PolarHBondContact OE1-OH 3.28Å; E103-W125 HydrophobicContact CB-CH2 3.52Å; E103-W125 HydrophobicContact CB-CZ2 4.23Å; E103-W125 HydrophobicContact CB-CZ3 4.23Å; E103-W125 HydrophobicContact CG-CH2 3.77Å; E103-W125 HydrophobicContact CG-CZ3 3.98Å
104E98.7Very high97.4Very high87 Ų8759 Ų5941%0.40727%0.273SS..Hα-helixtrans-63.4-42.7177.6-179.757-151.800111.3R100 R101 E102 K107 Q108R100-E104 WeakPolarHBondContact O-CB 3.47Å; R100-E104 PolarHBondContact O-N 2.93Å; R101-E104 PolarHBondContact O-N 3.31Å; E102-E104 PolarHBondContact O-N 3.22Å; E104-K107 PolarHBondContact O-N 3.15Å; E104-Q108 VanDerWaalsContact O-CG 3.31Å; E104-Q108 WeakPolarHBondContact O-CG 3.43Å; E104-Q108 PolarHBondContact O-N 3.35Å; E104-Q108 PolarHBondContact OE1-NE2 2.84Å
105A98.7Very high97.5Very high2 Ų260.6 Ų60.62%0.01727%0.274CS..Hα-helixtrans-61-44.9174.600000111.9A80 I83 V84 R101 E102 K107 Q108 I109A80-A105 HydrophobicContact CB-CB 4.25Å; I83-A105 HydrophobicContact CB-CB 3.96Å; I83-A105 HydrophobicContact CD1-CB 4.23Å; I83-A105 HydrophobicContact CG2-CB 4.19Å; V84-A105 HydrophobicContact CG2-CB 3.64Å; R101-A105 WeakPolarHBondContact O-CB 2.67Å; R101-A105 PolarHBondContact O-N 3.39Å; E102-A105 PolarHBondContact O-N 3.42Å; A105-K107 PolarHBondContact O-N 3.29Å; A105-Q108 CarbonylContact O-C 3.58Å; A105-Q108 WeakPolarHBondContact O-CB 3.48Å; A105-Q108 PolarHBondContact O-N 3.14Å; A105-Q108 VanDerWaalsContact O-N 3.1Å; A105-I109 WeakPolarHBondContact O-CB 3.3Å; A105-I109 WeakPolarHBondContact O-CD1 3.22Å; A105-I109 WeakPolarHBondContact O-CG1 3.33Å; A105-I109 PolarHBondContact O-N 2.78Å
106M98.8Very high97.8Very high0 Ų058 Ų580%027%0.268CS..Hα-helixtrans-65-37.8178.7-78-59.6-59.900112.8V76 M79 A80 E102 E103 Q108 I109 T110 Y122 W125V76-M106 HydrophobicContact CG1-CE 4.23Å; M79-M106 HydrophobicContact CB-SD 4.01Å; M79-M106 HydrophobicContact CG-SD 4.3Å; A80-M106 HydrophobicContact CB-CG 3.85Å; A80-M106 HydrophobicContact CB-SD 4.19Å; E102-M106 WeakPolarHBondContact O-CB 3.26Å; E102-M106 WeakPolarHBondContact O-CG 3.36Å; E102-M106 PolarHBondContact O-N 2.88Å; E103-M106 PolarHBondContact O-N 2.99Å; M106-Q108 VanDerWaalsContact C-N 3.32Å; M106-Q108 PolarHBondContact O-N 3.38Å; M106-I109 PolarHBondContact O-N 2.64Å; M106-I109 HydrophobicContact SD-CD1 4.14Å; M106-T110 HydrophobicContact CE-CG2 3.79Å; M106-T110 WeakPolarHBondContact O-CB 3.2Å; M106-T110 VanDerWaalsContact O-CG2 3.31Å; M106-T110 WeakPolarHBondContact O-CG2 3.5Å; M106-T110 PolarHBondContact O-N 2.69Å; M106-T110 PolarHBondContact O-OG1 3.34Å; M106-Y122 HydrophobicContact CB-CD2 4.24Å; M106-Y122 HydrophobicContact CB-CE2 4.38Å; M106-W125 HydrophobicContact CB-CD2 4.14Å; M106-W125 HydrophobicContact CB-CE3 4.34Å; M106-W125 HydrophobicContact CB-CG 4.43Å; M106-W125 HydrophobicContact CE-CB 3.71Å; M106-W125 HydrophobicContact CE-CG 4.05Å; M106-W125 HydrophobicContact CG-CB 4.31Å; M106-W125 HydrophobicContact CG-CD2 3.68Å; M106-W125 HydrophobicContact CG-CE3 4.37Å; M106-W125 HydrophobicContact CG-CG 3.61Å; M106-W125 HydrophobicContact SD-CB 4.49Å; M106-W125 HydrophobicContact SD-CG 4.24Å
107K98.6Very high97.9Very high87 Ų8754.6 Ų54.638%0.37825%0.254SS..Hα-helixtrans-60.2-43.9170.6-72.2171.6-174.9164.30111E103 E104 A105 Q111 Y122E103-K107 VanDerWaalsContact CD-NZ 3.33Å; E103-K107 WeakPolarHBondContact O-CG 3.46Å; E103-K107 PolarHBondContact O-N 2.7Å; E103-K107 WeakPolarHBondContact OE1-CE 2.86Å; E103-K107 IonicContact OE1-NZ 3.43Å; E103-K107 PolarHBondContact OE1-NZ 2.81Å; E104-K107 PolarHBondContact O-N 3.15Å; A105-K107 PolarHBondContact O-N 3.29Å; K107-Q111 WeakPolarHBondContact O-CB 3.45Å; K107-Q111 VanDerWaalsContact O-CG 3.29Å; K107-Q111 WeakPolarHBondContact O-CG 3.46Å; K107-Q111 PolarHBondContact O-N 3.26Å; K107-Q111 VanDerWaalsContact O-N 3.09Å; K107-Y122 WeakPolarHBondContact CE-OH 3.4Å; K107-Y122 HydrophobicContact CG-CD2 4.38Å; K107-Y122 HydrophobicContact CG-CE2 3.71Å
108Q98.3Very high98Very high76 Ų7656.7 Ų56.736%0.35526%0.26SS..Hα-helixtrans-67.5-36179.1-71.2176.725.400113.8I83 E104 A105 M106 Q111I83-Q108 HydrophobicContact CD1-CB 4.25Å; E104-Q108 VanDerWaalsContact O-CG 3.31Å; E104-Q108 WeakPolarHBondContact O-CG 3.43Å; E104-Q108 PolarHBondContact O-N 3.35Å; E104-Q108 PolarHBondContact OE1-NE2 2.84Å; A105-Q108 CarbonylContact O-C 3.58Å; A105-Q108 WeakPolarHBondContact O-CB 3.48Å; A105-Q108 PolarHBondContact O-N 3.14Å; A105-Q108 VanDerWaalsContact O-N 3.1Å; M106-Q108 VanDerWaalsContact C-N 3.32Å; M106-Q108 PolarHBondContact O-N 3.38Å; Q108-Q111 VanDerWaalsContact O-CG 3.25Å; Q108-Q111 WeakPolarHBondContact O-CG 3.38Å; Q108-Q111 PolarHBondContact O-NE2 2.65Å
109I98.6Very high98.1Very high0 Ų059.3 Ų59.30%027%0.271CS..Hα-helixtrans-71.3-52.3177.6-68.8159.9000109.8F20 L23 M79 C82 I83 A105 M106 L112F20-I109 HydrophobicContact CD2-CG2 3.72Å; F20-I109 HydrophobicContact CE2-CG2 3.58Å; L23-I109 HydrophobicContact CD1-CG1 4.22Å; M79-I109 HydrophobicContact CG-CD1 4.44Å; M79-I109 HydrophobicContact CG-CG2 4.4Å; M79-I109 HydrophobicContact SD-CG2 4.02Å; C82-I109 VanDerWaalsContact SG-CD1 3.54Å; I83-I109 HydrophobicContact CD1-CD1 4.06Å; I83-I109 HydrophobicContact CD1-CG1 3.67Å; I83-I109 HydrophobicContact CG1-CD1 4.38Å; I83-I109 HydrophobicContact CG1-CG1 4.36Å; A105-I109 WeakPolarHBondContact O-CB 3.3Å; A105-I109 WeakPolarHBondContact O-CD1 3.22Å; A105-I109 WeakPolarHBondContact O-CG1 3.33Å; A105-I109 PolarHBondContact O-N 2.78Å; M106-I109 PolarHBondContact O-N 2.64Å; M106-I109 HydrophobicContact SD-CD1 4.14Å; I109-L112 WeakPolarHBondContact O-CB 3.14Å; I109-L112 PolarHBondContact O-N 2.98Å
110T98.5Very high98.3Very high3 Ų358.6 Ų58.62%0.01827%0.268CS..Hα-helixtrans-75.5-26.6-170.558.60000113.2M106 L112 L113 R118 L121M106-T110 HydrophobicContact CE-CG2 3.79Å; M106-T110 WeakPolarHBondContact O-CB 3.2Å; M106-T110 VanDerWaalsContact O-CG2 3.31Å; M106-T110 WeakPolarHBondContact O-CG2 3.5Å; M106-T110 PolarHBondContact O-N 2.69Å; M106-T110 PolarHBondContact O-OG1 3.34Å; T110-L112 PolarHBondContact O-N 3.49Å; T110-L113 WeakPolarHBondContact O-CB 3.42Å; T110-L113 PolarHBondContact O-N 3.33Å; T110-R118 WeakPolarHBondContact O-CB 3.35Å; T110-R118 WeakPolarHBondContact O-CG 3.35Å; T110-L121 HydrophobicContact CG2-CB 3.9Å
111Q98.1Very high98.3Very high84 Ų8453.8 Ų53.839%0.39325%0.252SS..THydrogen-bonded Turntrans-61.4-12.6173.868.9178.3-1000114.1L10 K107 Q108L10-Q111 HydrophobicContact CD1-CG 4.34Å; K107-Q111 WeakPolarHBondContact O-CB 3.45Å; K107-Q111 VanDerWaalsContact O-CG 3.29Å; K107-Q111 WeakPolarHBondContact O-CG 3.46Å; K107-Q111 PolarHBondContact O-N 3.26Å; K107-Q111 VanDerWaalsContact O-N 3.09Å; Q108-Q111 VanDerWaalsContact O-CG 3.25Å; Q108-Q111 WeakPolarHBondContact O-CG 3.38Å; Q108-Q111 PolarHBondContact O-NE2 2.65Å
112L97.9Very high98.3Very high13 Ų1351.1 Ų51.17%0.06824%0.242CC..THydrogen-bonded Turntrans-78.9-10.5174.6-62.9172000112.8L10 S16 Q19 F20 L23 I109 T110L10-L112 HydrophobicContact CD1-CD2 4.12Å; L10-L112 HydrophobicContact CD2-CD2 4.12Å; S16-L112 VanDerWaalsContact CB-O 3.31Å; S16-L112 WeakPolarHBondContact CB-O 3.3Å; Q19-L112 HydrophobicContact CB-CD1 4.25Å; Q19-L112 HydrophobicContact CG-CD1 3.95Å; Q19-L112 HydrophobicContact CG-CD2 4.49Å; F20-L112 HydrophobicContact CB-CB 4.03Å; F20-L112 HydrophobicContact CB-CD1 4.19Å; L23-L112 HydrophobicContact CD1-CD1 3.65Å; I109-L112 WeakPolarHBondContact O-CB 3.14Å; I109-L112 PolarHBondContact O-N 2.98Å; T110-L112 PolarHBondContact O-N 3.49Å
113L98.1Very high98.4Very high5 Ų554.7 Ų54.73%0.02626%0.258CS..SBendtrans-102.7153.5-177.9-59.2176.8000111.5H12 L17 F20 T110 L117 R118 L121H12-L113 PolarHBondContact CD2-O 3.09Å; L17-L113 HydrophobicContact CD1-CD2 3.96Å; F20-L113 HydrophobicContact CB-CD2 4.15Å; F20-L113 HydrophobicContact CD1-CD2 3.83Å; F20-L113 HydrophobicContact CD2-CD1 4Å; F20-L113 HydrophobicContact CD2-CD2 3.94Å; F20-L113 HydrophobicContact CD2-CG 3.91Å; F20-L113 HydrophobicContact CE1-CD2 4.21Å; F20-L113 HydrophobicContact CE2-CD1 3.7Å; F20-L113 HydrophobicContact CE2-CD2 4.31Å; F20-L113 HydrophobicContact CE2-CG 4.14Å; F20-L113 HydrophobicContact CG-CD2 3.69Å; F20-L113 HydrophobicContact CG-CG 4.19Å; F20-L113 HydrophobicContact CZ-CD1 3.98Å; F20-L113 HydrophobicContact CZ-CD2 4.44Å; T110-L113 WeakPolarHBondContact O-CB 3.42Å; T110-L113 PolarHBondContact O-N 3.33Å; L113-L117 HydrophobicContact CB-CB 4.02Å; L113-L117 HydrophobicContact CD1-CB 4.19Å; L113-R118 HydrophobicContact CB-CB 4.45Å; L113-L121 HydrophobicContact CD1-CD2 3.83Å
114P97.6Very high98.4Very high50 Ų5052.3 Ų52.333%0.32525%0.247SC..  trans-50.7154.7167.1-25.735.1000112.9H12 D116 L117 R118H12-P114 HydrophobicContact CB-CG 4.31Å; P114-D116 VanDerWaalsContact C-N 3.31Å; P114-D116 WeakPolarHBondContact CB-OD1 3.33Å; P114-D116 PolarHBondContact O-N 2.81Å; P114-L117 PolarHBondContact O-N 2.84Å; P114-L117 VanDerWaalsContact O-N 3.11Å; P114-R118 WeakPolarHBondContact O-CB 3.23Å; P114-R118 PolarHBondContact O-N 2.91Å
115E97.1Very high98.4Very high106 Ų10648.3 Ų48.350%0.49523%0.229SC..Hα-helixtrans-52.6-43.2-169.8-177.158.6-140.900114.4R118 K119E115-R118 IonicContact OE1-CZ 2.78Å; E115-R118 IonicContact OE1-NE 3.31Å; E115-R118 IonicContact OE1-NH2 2.64Å; E115-R118 PolarHBondContact OE1-NH2 3.03Å; E115-R118 IonicContact OE2-CZ 3.74Å; E115-R118 IonicContact OE2-NE 3.57Å; E115-R118 PolarHBondContact OE2-NE 3.21Å; E115-R118 IonicContact OE2-NH2 3.29Å; E115-R118 PolarHBondContact OE2-NH2 3.31Å; E115-K119 VanDerWaalsContact O-CB 3.27Å; E115-K119 WeakPolarHBondContact O-CB 3.4Å; E115-K119 PolarHBondContact O-N 3.15Å
116D97.8Very high98.4Very high113 Ų11352.3 Ų52.360%0.60425%0.247SC*.Hα-helixtrans-63.4-47.8179.257.7-35.4000112.1P114 K119 E120P114-D116 VanDerWaalsContact C-N 3.31Å; P114-D116 WeakPolarHBondContact CB-OD1 3.33Å; P114-D116 PolarHBondContact O-N 2.81Å; D116-K119 PolarHBondContact O-N 3.01Å; D116-E120 WeakPolarHBondContact O-CB 3.48Å; D116-E120 PolarHBondContact O-N 3.4Å
117L98.4Very high98.4Very high68 Ų6853.5 Ų53.536%0.35625%0.253SS..Hα-helixtrans-71.8-37.4178.3-67178.9000112.6L113 P114 K119 E120 L121L113-L117 HydrophobicContact CB-CB 4.02Å; L113-L117 HydrophobicContact CD1-CB 4.19Å; P114-L117 PolarHBondContact O-N 2.84Å; P114-L117 VanDerWaalsContact O-N 3.11Å; L117-K119 VanDerWaalsContact C-N 3.32Å; L117-E120 PolarHBondContact O-N 2.91Å; L117-L121 PolarHBondContact O-N 3.33Å
118R98.3Very high98.4Very high94 Ų9449.8 Ų49.836%0.35524%0.236SC..Hα-helixtrans-56.4-51.4173.2175.8-177.479.7149.80.9109.9T110 L113 P114 E115 Y122T110-R118 WeakPolarHBondContact O-CB 3.35Å; T110-R118 WeakPolarHBondContact O-CG 3.35Å; L113-R118 HydrophobicContact CB-CB 4.45Å; P114-R118 WeakPolarHBondContact O-CB 3.23Å; P114-R118 PolarHBondContact O-N 2.91Å; E115-R118 IonicContact OE1-CZ 2.78Å; E115-R118 IonicContact OE1-NE 3.31Å; E115-R118 IonicContact OE1-NH2 2.64Å; E115-R118 PolarHBondContact OE1-NH2 3.03Å; E115-R118 IonicContact OE2-CZ 3.74Å; E115-R118 IonicContact OE2-NE 3.57Å; E115-R118 PolarHBondContact OE2-NE 3.21Å; E115-R118 IonicContact OE2-NH2 3.29Å; E115-R118 PolarHBondContact OE2-NH2 3.31Å; R118-Y122 VanDerWaalsContact O-CB 3.27Å; R118-Y122 WeakPolarHBondContact O-CB 3.39Å; R118-Y122 PolarHBondContact O-N 2.73Å
119K98.6Very high98.4Very high112 Ų11248.7 Ų48.749%0.48723%0.231SC..Hα-helixtrans-59.9-49.3179.1-178.3175-177.9173.10110.9E115 D116 L117 L121 Y122 E123E115-K119 VanDerWaalsContact O-CB 3.27Å; E115-K119 WeakPolarHBondContact O-CB 3.4Å; E115-K119 PolarHBondContact O-N 3.15Å; D116-K119 PolarHBondContact O-N 3.01Å; L117-K119 VanDerWaalsContact C-N 3.32Å; K119-L121 PolarHBondContact O-N 3.38Å; K119-Y122 PolarHBondContact O-N 3.43Å; K119-E123 VanDerWaalsContact CE-CD 3.46Å; K119-E123 WeakPolarHBondContact CE-OE1 3.05Å; K119-E123 HydrophobicContact CG-CG 4.27Å; K119-E123 IonicContact NZ-OE1 3.29Å; K119-E123 WeakPolarHBondContact O-CB 3.47Å; K119-E123 VanDerWaalsContact O-CG 3.29Å; K119-E123 WeakPolarHBondContact O-CG 3.36Å; K119-E123 PolarHBondContact O-N 3.47Å
120E98.8Very high98.4Very high51 Ų5152.5 Ų52.524%0.23826%0.255CS..Hα-helixtrans-57.7-51.4-178.5-172.9-170.3161.100112.9R72 D116 L117 E123 L124R72-E120 IonicContact CZ-OE1 3.12Å; R72-E120 IonicContact NH1-OE1 2.65Å; R72-E120 PolarHBondContact NH1-OE1 2.83Å; R72-E120 IonicContact NH1-OE2 2.64Å; D116-E120 WeakPolarHBondContact O-CB 3.48Å; D116-E120 PolarHBondContact O-N 3.4Å; L117-E120 PolarHBondContact O-N 2.91Å; E120-E123 PolarHBondContact O-N 3.39Å; E120-L124 HydrophobicContact CG-CD1 4.22Å; E120-L124 WeakPolarHBondContact O-CB 3.37Å; E120-L124 WeakPolarHBondContact O-CG 3.33Å; E120-L124 PolarHBondContact O-N 2.8Å
121L98.8Very high98.4Very high25 Ų2555 Ų5513%0.13127%0.266CS..Hα-helixtrans-69.7-37.9-177-92.465.9000112.2F20 V76 M79 T110 L113 L117 K119 L124 W125F20-L121 HydrophobicContact CE2-CD2 4.02Å; F20-L121 HydrophobicContact CZ-CD2 3.71Å; V76-L121 HydrophobicContact CG2-CG 4.23Å; M79-L121 HydrophobicContact CE-CD2 4.35Å; M79-L121 HydrophobicContact SD-CD2 4.23Å; T110-L121 HydrophobicContact CG2-CB 3.9Å; L113-L121 HydrophobicContact CD1-CD2 3.83Å; L117-L121 PolarHBondContact O-N 3.33Å; K119-L121 PolarHBondContact O-N 3.38Å; L121-L124 PolarHBondContact O-N 3.24Å; L121-W125 PolarHBondContact O-N 2.91Å; L121-W125 VanDerWaalsContact O-N 3.12Å
122Y98.8Very high98.4Very high40 Ų4054.9 Ų54.916%0.15728%0.275CS..Hα-helixtrans-65.3-45.3176.3-174.1-92.2000111.3E103 M106 K107 R118 K119 L124 W125 E126E103-Y122 PolarHBondContact OE1-OH 3.28Å; M106-Y122 HydrophobicContact CB-CD2 4.24Å; M106-Y122 HydrophobicContact CB-CE2 4.38Å; K107-Y122 WeakPolarHBondContact CE-OH 3.4Å; K107-Y122 HydrophobicContact CG-CD2 4.38Å; K107-Y122 HydrophobicContact CG-CE2 3.71Å; R118-Y122 VanDerWaalsContact O-CB 3.27Å; R118-Y122 WeakPolarHBondContact O-CB 3.39Å; R118-Y122 PolarHBondContact O-N 2.73Å; K119-Y122 PolarHBondContact O-N 3.43Å; Y122-L124 VanDerWaalsContact C-N 3.33Å; Y122-L124 PolarHBondContact O-N 2.92Å; Y122-W125 HydrophobicContact CE2-CE3 4.2Å; Y122-W125 HydrophobicContact CE2-CZ3 4.18Å; Y122-W125 PolarHBondContact O-N 3.37Å; Y122-E126 WeakPolarHBondContact O-CB 3.1Å; Y122-E126 PolarHBondContact O-N 3.1Å
123E98.9Very high98.5Very high80 Ų8055.3 Ų55.337%0.37428%0.279SS..Hα-helixtrans-66.2-32.6177.4-72.5177.8165.500112.3K119 E120 E127K119-E123 VanDerWaalsContact CE-CD 3.46Å; K119-E123 WeakPolarHBondContact CE-OE1 3.05Å; K119-E123 HydrophobicContact CG-CG 4.27Å; K119-E123 IonicContact NZ-OE1 3.29Å; K119-E123 WeakPolarHBondContact O-CB 3.47Å; K119-E123 VanDerWaalsContact O-CG 3.29Å; K119-E123 WeakPolarHBondContact O-CG 3.36Å; K119-E123 PolarHBondContact O-N 3.47Å; E120-E123 PolarHBondContact O-N 3.39Å; E123-E127 WeakPolarHBondContact O-CB 3.29Å; E123-E127 PolarHBondContact O-N 3.06Å
124L98.9Very high98.5Very high2 Ų257.8 Ų57.81%0.0130%0.3CS..Hα-helixtrans-60.7-49.6170.7-84.5163.1000111.9R69 R72 L73 V76 E120 L121 Y122 E127 Y128R69-L124 VanDerWaalsContact NH1-CG 3.27Å; R72-L124 HydrophobicContact CB-CD1 3.82Å; R72-L124 HydrophobicContact CB-CD2 3.84Å; L73-L124 HydrophobicContact CD2-CB 4.39Å; L73-L124 HydrophobicContact CD2-CD2 3.63Å; L73-L124 WeakPolarHBondContact CD2-O 3.39Å; L73-L124 HydrophobicContact CG-CD2 3.73Å; V76-L124 HydrophobicContact CB-CB 4.32Å; V76-L124 HydrophobicContact CG1-CB 4.02Å; V76-L124 HydrophobicContact CG2-CD1 4.18Å; E120-L124 HydrophobicContact CG-CD1 4.22Å; E120-L124 WeakPolarHBondContact O-CB 3.37Å; E120-L124 WeakPolarHBondContact O-CG 3.33Å; E120-L124 PolarHBondContact O-N 2.8Å; L121-L124 PolarHBondContact O-N 3.24Å; Y122-L124 VanDerWaalsContact C-N 3.33Å; Y122-L124 PolarHBondContact O-N 2.92Å; L124-E127 PolarHBondContact O-N 3.04Å; L124-Y128 PolarHBondContact O-N 3.32Å; L124-Y128 VanDerWaalsContact O-N 3.15Å
125W98.8Very high98.6Very high3 Ų357.1 Ų57.11%0.01129%0.292CS..Hα-helixtrans-63-44.2177.6170.185.5000111.6V76 H99 E102 E103 M106 L121 Y122 E127 Y128 E129V76-W125 HydrophobicContact CG1-CB 4.13Å; H99-W125 AromaticContact CE1-CH2 3.86Å; E102-W125 HydrophobicContact CB-CZ2 3.95Å; E103-W125 HydrophobicContact CB-CH2 3.52Å; E103-W125 HydrophobicContact CB-CZ2 4.23Å; E103-W125 HydrophobicContact CB-CZ3 4.23Å; E103-W125 HydrophobicContact CG-CH2 3.77Å; E103-W125 HydrophobicContact CG-CZ3 3.98Å; M106-W125 HydrophobicContact CB-CD2 4.14Å; M106-W125 HydrophobicContact CB-CE3 4.34Å; M106-W125 HydrophobicContact CB-CG 4.43Å; M106-W125 HydrophobicContact CE-CB 3.71Å; M106-W125 HydrophobicContact CE-CG 4.05Å; M106-W125 HydrophobicContact CG-CB 4.31Å; M106-W125 HydrophobicContact CG-CD2 3.68Å; M106-W125 HydrophobicContact CG-CE3 4.37Å; M106-W125 HydrophobicContact CG-CG 3.61Å; M106-W125 HydrophobicContact SD-CB 4.49Å; M106-W125 HydrophobicContact SD-CG 4.24Å; L121-W125 PolarHBondContact O-N 2.91Å; L121-W125 VanDerWaalsContact O-N 3.12Å; Y122-W125 HydrophobicContact CE2-CE3 4.2Å; Y122-W125 HydrophobicContact CE2-CZ3 4.18Å; Y122-W125 PolarHBondContact O-N 3.37Å; W125-E127 VanDerWaalsContact C-N 3.35Å; W125-E127 PolarHBondContact O-N 3.33Å; W125-Y128 PolarHBondContact O-N 2.89Å; W125-E129 HydrophobicContact CD2-CG 4.15Å; W125-E129 HydrophobicContact CH2-CG 4.07Å; W125-E129 HydrophobicContact CZ2-CG 3.53Å; W125-E129 PolarHBondContact O-N 3.1Å
126E98.8Very high98.6Very high87 Ų8752 Ų5241%0.40727%0.269SS..Hα-helixtrans-63.4-39.7178.2-175.2177-12100111.9Y122 Y128 E129 T130Y122-E126 WeakPolarHBondContact O-CB 3.1Å; Y122-E126 PolarHBondContact O-N 3.1Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.41Å; E126-E129 PolarHBondContact O-N 2.99Å; E126-T130 HydrophobicContact CG-CG2 4.25Å; E126-T130 WeakPolarHBondContact O-CB 3.26Å; E126-T130 WeakPolarHBondContact O-CG2 3.38Å; E126-T130 PolarHBondContact O-N 3.41Å; E126-T130 PolarHBondContact O-OG1 3.39Å
127E98.8Very high98.7Very high25 Ų2551.9 Ų51.912%0.11726%0.263CS..Hα-helixtrans-58.8-44.2175-176-173.6149.500111.3R69 L73 E123 L124 W125 T130 Q131 S132 S133 A136R69-E127 IonicContact CZ-OE2 3.69Å; R69-E127 IonicContact NE-OE2 3.83Å; R69-E127 PolarHBondContact NE-OE2 2.85Å; R69-E127 IonicContact NH2-OE2 2.62Å; R69-E127 PolarHBondContact NH2-OE2 3.29Å; L73-E127 HydrophobicContact CD2-CB 4.15Å; L73-E127 HydrophobicContact CD2-CG 4.28Å; E123-E127 WeakPolarHBondContact O-CB 3.29Å; E123-E127 PolarHBondContact O-N 3.06Å; L124-E127 PolarHBondContact O-N 3.04Å; W125-E127 VanDerWaalsContact C-N 3.35Å; W125-E127 PolarHBondContact O-N 3.33Å; E127-T130 PolarHBondContact O-OG1 3.3Å; E127-Q131 WeakPolarHBondContact O-CA 3.37Å; E127-Q131 PolarHBondContact O-N 3.16Å; E127-S132 PolarHBondContact O-N 3.37Å; E127-S132 PolarHBondContact O-OG 3.44Å; E127-S133 VanDerWaalsContact OE1-CB 3.22Å; E127-S133 WeakPolarHBondContact OE1-CB 3.47Å; E127-S133 PolarHBondContact OE1-OG 3.44Å; E127-A136 HydrophobicContact CG-CB 4.24Å; E127-A136 WeakPolarHBondContact O-CB 3.21Å
128Y98.9Very high98.7Very high8 Ų848.9 Ų48.93%0.03125%0.247CC..Hα-helixtrans-67.1-50.2175.7-174.2-94.5000112H77 L124 W125 E126 T130 Q131 V139 K140 D143H77-Y128 HydrophobicContact CB-CD1 3.52Å; H77-Y128 HydrophobicContact CB-CD2 3.9Å; H77-Y128 HydrophobicContact CB-CE1 3.73Å; H77-Y128 HydrophobicContact CB-CE2 4.13Å; H77-Y128 HydrophobicContact CB-CG 3.56Å; H77-Y128 AromaticContact CD2-CE1 3.38Å; H77-Y128 WeakPolarHBondContact CD2-CE1 3.29Å; H77-Y128 AromaticContact CD2-CZ 3.3Å; H77-Y128 PolarHBondContact CD2-OH 3.49Å; H77-Y128 VanDerWaalsContact CD2-OH 3.31Å; H77-Y128 AromaticContact CG-CE1 3.9Å; H77-Y128 AromaticContact CG-CZ 3.85Å; L124-Y128 PolarHBondContact O-N 3.32Å; L124-Y128 VanDerWaalsContact O-N 3.15Å; W125-Y128 PolarHBondContact O-N 2.89Å; E126-Y128 VanDerWaalsContact C-N 3.32Å; E126-Y128 PolarHBondContact O-N 3.41Å; Y128-T130 VanDerWaalsContact C-N 3.28Å; Y128-T130 PolarHBondContact O-N 2.85Å; Y128-Q131 WeakPolarHBondContact O-CG 3.44Å; Y128-Q131 PolarHBondContact O-N 3.24Å; Y128-Q131 PolarHBondContact O-NE2 3.06Å; Y128-V139 HydrophobicContact CD2-CB 4.41Å; Y128-V139 HydrophobicContact CD2-CG1 4.14Å; Y128-V139 HydrophobicContact CE2-CB 4.22Å; Y128-V139 HydrophobicContact CE2-CG1 3.8Å; Y128-K140 HydrophobicContact CE1-CD 4.45Å; Y128-K140 HydrophobicContact CE2-CB 4.2Å; Y128-K140 HydrophobicContact CE2-CD 4.3Å; Y128-K140 WeakPolarHBondContact OH-CD 3.32Å; Y128-K140 PolarHBondContact OH-NZ 3.43Å; Y128-D143 PolarHBondContact OH-OD2 3.42Å
129E97.9Very high98.7Very high53 Ų5344.4 Ų44.425%0.24823%0.23CC..Hα-helixtrans-58.6-40.6-178.9-89.5-66.2109.400112.7H99 W125 E126 Q131H99-E129 IonicContact CE1-OE2 2.74Å; H99-E129 IonicContact CG-OE2 3.81Å; H99-E129 IonicContact ND1-OE2 2.8Å; H99-E129 PolarHBondContact ND1-OE2 3.41Å; W125-E129 HydrophobicContact CD2-CG 4.15Å; W125-E129 HydrophobicContact CH2-CG 4.07Å; W125-E129 HydrophobicContact CZ2-CG 3.53Å; W125-E129 PolarHBondContact O-N 3.1Å; E126-E129 PolarHBondContact O-N 2.99Å; E129-Q131 VanDerWaalsContact C-N 3.34Å
130T98.1Very high98.8Very high81 Ų8142.4 Ų42.450%0.49722%0.221SC..Hα-helixtrans-84.1-9.8179.860.30000113.4E126 E127 Y128 S132E126-T130 HydrophobicContact CG-CG2 4.25Å; E126-T130 WeakPolarHBondContact O-CB 3.26Å; E126-T130 WeakPolarHBondContact O-CG2 3.38Å; E126-T130 PolarHBondContact O-N 3.41Å; E126-T130 PolarHBondContact O-OG1 3.39Å; E127-T130 PolarHBondContact O-OG1 3.3Å; Y128-T130 VanDerWaalsContact C-N 3.28Å; Y128-T130 PolarHBondContact O-N 2.85Å; T130-S132 PolarHBondContact O-N 2.97Å; T130-S132 WeakPolarHBondContact OG1-CB 3.48Å; T130-S132 PolarHBondContact OG1-OG 2.93Å
131Q98.7Very high98.8Very high54 Ų5440.6 Ų40.625%0.25221%0.213SC..THydrogen-bonded Turntrans50.340.8-175.2-65.8-72.6-67.500112.1E127 Y128 E129 A136 K137E127-Q131 WeakPolarHBondContact O-CA 3.37Å; E127-Q131 PolarHBondContact O-N 3.16Å; Y128-Q131 WeakPolarHBondContact O-CG 3.44Å; Y128-Q131 PolarHBondContact O-N 3.24Å; Y128-Q131 PolarHBondContact O-NE2 3.06Å; E129-Q131 VanDerWaalsContact C-N 3.34Å; Q131-A136 PolarHBondContact NE2-O 3.38Å; Q131-A136 PolarHBondContact OE1-O 3.31Å; Q131-K137 HydrophobicContact CB-CG 4.43Å; Q131-K137 WeakPolarHBondContact O-CE 3.49Å
132S98.6Very high98.8Very high83 Ų8339.4 Ų39.458%0.5821%0.206SC*.  trans-83.3-11.7-166.747.80000114.6E127 T130E127-S132 PolarHBondContact O-N 3.37Å; E127-S132 PolarHBondContact O-OG 3.44Å; T130-S132 PolarHBondContact O-N 2.97Å; T130-S132 WeakPolarHBondContact OG1-CB 3.48Å; T130-S132 PolarHBondContact OG1-OG 2.93Å
133S98.9Very high98.8Very high22 Ų2238.1 Ų38.115%0.15420%0.202CC..SBendtrans-121.5170.5179.970.20000112.9E127 E135 A136 K137E127-S133 VanDerWaalsContact OE1-CB 3.22Å; E127-S133 WeakPolarHBondContact OE1-CB 3.47Å; E127-S133 PolarHBondContact OE1-OG 3.44Å; S133-E135 VanDerWaalsContact C-N 3.33Å; S133-E135 PolarHBondContact OG-N 3Å; S133-A136 WeakPolarHBondContact OG-CB 3.35Å; S133-A136 PolarHBondContact OG-N 3.48Å; S133-K137 WeakPolarHBondContact O-CD 3.16Å; S133-K137 VanDerWaalsContact O-CG 3.32Å; S133-K137 WeakPolarHBondContact O-CG 3.44Å; S133-K137 PolarHBondContact O-N 3Å
134A98.8Very high98.8Very high57 Ų5735.5 Ų35.547%0.47119%0.19SC..Hα-helixtrans-70.6-35.5171.200000110.7L65 K137 F138L65-A134 HydrophobicContact CD2-CB 3.59Å; A134-K137 PolarHBondContact O-N 2.86Å; A134-F138 WeakPolarHBondContact O-CB 3.49Å; A134-F138 PolarHBondContact O-N 3.18Å
135E98.9Very high98.8Very high35 Ų3535.5 Ų35.516%0.16419%0.19CC..Hα-helixtrans-60.7-47.1175.3-69.278.2-178.600111.7L65 N66 R69 C70 L73 S133 K137 F138 V139L65-E135 HydrophobicContact CB-CG 4.49Å; L65-E135 HydrophobicContact CD2-CG 4.35Å; N66-E135 HydrophobicContact CB-CG 4.49Å; N66-E135 PolarHBondContact N-OE1 3.19Å; R69-E135 HydrophobicContact CB-CG 4.35Å; R69-E135 HydrophobicContact CG-CG 4.4Å; C70-E135 VanDerWaalsContact SG-CG 3.58Å; L73-E135 HydrophobicContact CD1-CB 3.64Å; S133-E135 VanDerWaalsContact C-N 3.33Å; S133-E135 PolarHBondContact OG-N 3Å; E135-K137 VanDerWaalsContact C-N 3.35Å; E135-K137 PolarHBondContact O-N 3.43Å; E135-F138 WeakPolarHBondContact O-CB 3.47Å; E135-F138 PolarHBondContact O-N 3.38Å; E135-V139 VanDerWaalsContact O-CG2 3.3Å; E135-V139 WeakPolarHBondContact O-CG2 3.49Å; E135-V139 PolarHBondContact O-N 3.26Å
136A98.9Very high98.8Very high0 Ų035.4 Ų35.40%019%0.19CC..Hα-helixtrans-61.8-41.5177.500000112.4E127 Q131 S133 V139 K140E127-A136 HydrophobicContact CG-CB 4.24Å; E127-A136 WeakPolarHBondContact O-CB 3.21Å; Q131-A136 PolarHBondContact NE2-O 3.38Å; Q131-A136 PolarHBondContact OE1-O 3.31Å; S133-A136 WeakPolarHBondContact OG-CB 3.35Å; S133-A136 PolarHBondContact OG-N 3.48Å; A136-V139 PolarHBondContact O-N 2.95Å; A136-K140 WeakPolarHBondContact O-CB 3.36Å; A136-K140 PolarHBondContact O-N 3.32Å
137K98.9Very high98.8Very high110 Ų11032.5 Ų32.548%0.47818%0.177SC..Hα-helixtrans-67.9-35.6176.9-67.2171.4-167.1176.10112.5Q131 S133 A134 E135 Q141Q131-K137 HydrophobicContact CB-CG 4.43Å; Q131-K137 WeakPolarHBondContact O-CE 3.49Å; S133-K137 WeakPolarHBondContact O-CD 3.16Å; S133-K137 VanDerWaalsContact O-CG 3.32Å; S133-K137 WeakPolarHBondContact O-CG 3.44Å; S133-K137 PolarHBondContact O-N 3Å; A134-K137 PolarHBondContact O-N 2.86Å; E135-K137 VanDerWaalsContact C-N 3.35Å; E135-K137 PolarHBondContact O-N 3.43Å; K137-Q141 PolarHBondContact O-N 3.45Å
138F98.9Very high98.8Very high4 Ų431.3 Ų31.32%0.01817%0.171CC..Hα-helixtrans-66-50.1172.8171.7-102.5000110.9I60 L65 K67 C70 A134 E135 K140 Q141 L142 H177 I180I60-F138 HydrophobicContact CB-CZ 4.13Å; I60-F138 HydrophobicContact CG2-CE2 3.91Å; I60-F138 HydrophobicContact CG2-CZ 3.96Å; L65-F138 HydrophobicContact CD1-CB 3.54Å; L65-F138 HydrophobicContact CD1-CD1 3.72Å; L65-F138 HydrophobicContact CD1-CD2 3.72Å; L65-F138 HydrophobicContact CD1-CE1 4.34Å; L65-F138 HydrophobicContact CD1-CE2 4.34Å; L65-F138 HydrophobicContact CD1-CG 3.36Å; K67-F138 VanDerWaalsContact NZ-CE1 3.27Å; K67-F138 VanDerWaalsContact NZ-CZ 3.28Å; C70-F138 HydrophobicContact CB-CD1 4.22Å; C70-F138 HydrophobicContact CB-CE1 4.35Å; A134-F138 WeakPolarHBondContact O-CB 3.49Å; A134-F138 PolarHBondContact O-N 3.18Å; E135-F138 WeakPolarHBondContact O-CB 3.47Å; E135-F138 PolarHBondContact O-N 3.38Å; F138-K140 VanDerWaalsContact C-N 3.26Å; F138-K140 PolarHBondContact O-N 2.87Å; F138-Q141 WeakPolarHBondContact O-CB 3.45Å; F138-Q141 PolarHBondContact O-N 3.21Å; F138-L142 HydrophobicContact CD1-CD1 4.08Å; F138-L142 HydrophobicContact CD1-CG 4.3Å; F138-L142 HydrophobicContact CE1-CD1 3.49Å; F138-L142 VanDerWaalsContact CE1-CD1 3.49Å; F138-L142 HydrophobicContact CE1-CD2 4.2Å; F138-L142 HydrophobicContact CE1-CG 3.94Å; F138-L142 HydrophobicContact CE2-CD2 4.18Å; F138-L142 HydrophobicContact CZ-CD1 3.95Å; F138-L142 HydrophobicContact CZ-CD2 3.82Å; F138-L142 HydrophobicContact CZ-CG 4.08Å; F138-L142 PolarHBondContact O-N 3.02Å; F138-H177 AromaticContact CD2-CD2 3.64Å; F138-H177 AromaticContact CD2-CG 3.95Å; F138-H177 AromaticContact CD2-NE2 3.73Å; F138-H177 AromaticContact CE2-CE1 3.79Å; F138-H177 AromaticContact CE2-NE2 3.85Å; F138-I180 HydrophobicContact CD2-CD1 3.94Å; F138-I180 HydrophobicContact CE2-CD1 3.83Å; F138-I180 HydrophobicContact CE2-CG1 4.35Å
139V98.9Very high98.8Very high0 Ų033.3 Ų33.30%018%0.182CC..Hα-helixtrans-62.7-33.3178.71770000111.5M53 C70 L73 A74 Y128 E135 A136 Q141 L142 D143M53-V139 HydrophobicContact CE-CG1 3.56Å; M53-V139 WeakPolarHBondContact CE-O 3.41Å; C70-V139 HydrophobicContact CB-CG2 3.87Å; C70-V139 WeakPolarHBondContact O-CG2 3.42Å; L73-V139 HydrophobicContact CB-CB 4.47Å; L73-V139 HydrophobicContact CB-CG1 4.34Å; L73-V139 HydrophobicContact CB-CG2 4.01Å; L73-V139 HydrophobicContact CD1-CG2 4.33Å; A74-V139 HydrophobicContact CB-CG1 4.1Å; Y128-V139 HydrophobicContact CD2-CB 4.41Å; Y128-V139 HydrophobicContact CD2-CG1 4.14Å; Y128-V139 HydrophobicContact CE2-CB 4.22Å; Y128-V139 HydrophobicContact CE2-CG1 3.8Å; E135-V139 VanDerWaalsContact O-CG2 3.3Å; E135-V139 WeakPolarHBondContact O-CG2 3.49Å; E135-V139 PolarHBondContact O-N 3.26Å; A136-V139 PolarHBondContact O-N 2.95Å; V139-Q141 VanDerWaalsContact C-N 3.3Å; V139-Q141 PolarHBondContact O-N 3.48Å; V139-L142 WeakPolarHBondContact O-CA 3.37Å; V139-L142 WeakPolarHBondContact O-CB 3.36Å; V139-L142 PolarHBondContact O-N 3.34Å; V139-L142 VanDerWaalsContact O-N 3.1Å; V139-D143 PolarHBondContact O-N 2.71Å
140K98.9Very high98.8Very high70 Ų7031.7 Ų31.730%0.30418%0.175SC..Hα-helixtrans-65-33.5173.9-172.157.6178.4171.90113.4Y128 A136 F138 D143 Q144Y128-K140 HydrophobicContact CE1-CD 4.45Å; Y128-K140 HydrophobicContact CE2-CB 4.2Å; Y128-K140 HydrophobicContact CE2-CD 4.3Å; Y128-K140 WeakPolarHBondContact OH-CD 3.32Å; Y128-K140 PolarHBondContact OH-NZ 3.43Å; A136-K140 WeakPolarHBondContact O-CB 3.36Å; A136-K140 PolarHBondContact O-N 3.32Å; F138-K140 VanDerWaalsContact C-N 3.26Å; F138-K140 PolarHBondContact O-N 2.87Å; K140-D143 IonicContact NZ-OD2 3.37Å; K140-D143 PolarHBondContact NZ-OD2 2.72Å; K140-Q144 PolarHBondContact O-N 3.3Å
141Q98.9Very high98.9Very high13 Ų1327.9 Ų27.96%0.06115%0.151CC..Hα-helixtrans-74.5-30.6172-71.5-177.872.200111.8K137 F138 V139 C145 F175 N176 I180K137-Q141 PolarHBondContact O-N 3.45Å; F138-Q141 WeakPolarHBondContact O-CB 3.45Å; F138-Q141 PolarHBondContact O-N 3.21Å; V139-Q141 VanDerWaalsContact C-N 3.3Å; V139-Q141 PolarHBondContact O-N 3.48Å; Q141-C145 WeakPolarHBondContact O-CB 3.46Å; Q141-C145 PolarHBondContact O-N 3.07Å; Q141-F175 HydrophobicContact CB-CD1 4.42Å; Q141-N176 PolarHBondContact NE2-OD1 3.38Å; Q141-I180 HydrophobicContact CB-CD1 3.46Å; Q141-I180 VanDerWaalsContact CB-CD1 3.46Å; Q141-I180 HydrophobicContact CB-CG2 4.41Å
142L98.9Very high98.9Very high0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-63.3-45.7170.6-61.1-173000111.7M53 M56 A57 I60 F138 V139 Q144 C145 E146 I180M53-L142 HydrophobicContact CE-CB 4.3Å; M56-L142 HydrophobicContact CB-CD1 4.29Å; M56-L142 HydrophobicContact CB-CD2 4.21Å; M56-L142 HydrophobicContact CE-CB 4.45Å; M56-L142 HydrophobicContact CE-CD2 4.12Å; A57-L142 HydrophobicContact CB-CD1 3.72Å; I60-L142 HydrophobicContact CD1-CD2 3.63Å; F138-L142 HydrophobicContact CD1-CD1 4.08Å; F138-L142 HydrophobicContact CD1-CG 4.3Å; F138-L142 HydrophobicContact CE1-CD1 3.49Å; F138-L142 VanDerWaalsContact CE1-CD1 3.49Å; F138-L142 HydrophobicContact CE1-CD2 4.2Å; F138-L142 HydrophobicContact CE1-CG 3.94Å; F138-L142 HydrophobicContact CE2-CD2 4.18Å; F138-L142 HydrophobicContact CZ-CD1 3.95Å; F138-L142 HydrophobicContact CZ-CD2 3.82Å; F138-L142 HydrophobicContact CZ-CG 4.08Å; F138-L142 PolarHBondContact O-N 3.02Å; V139-L142 WeakPolarHBondContact O-CA 3.37Å; V139-L142 WeakPolarHBondContact O-CB 3.36Å; V139-L142 PolarHBondContact O-N 3.34Å; V139-L142 VanDerWaalsContact O-N 3.1Å; L142-Q144 VanDerWaalsContact C-N 3.31Å; L142-Q144 PolarHBondContact O-N 3.2Å; L142-C145 PolarHBondContact O-N 2.94Å; L142-E146 WeakPolarHBondContact O-CB 3.26Å; L142-E146 PolarHBondContact O-N 3.47Å; L142-I180 HydrophobicContact CD2-CD1 3.65Å; L142-I180 HydrophobicContact CD2-CG1 4.19Å; L142-I180 HydrophobicContact CG-CD1 4.37Å
143D98.9Very high98.9Very high14 Ų1424.7 Ų24.78%0.07513%0.128CC..Hα-helixtrans-51.7-50.3175.5165.824.3000110.8R32 H49 M53 Y128 V139 K140 M147R32-D143 IonicContact NH2-OD1 3.91Å; H49-D143 IonicContact CE1-OD1 2.86Å; H49-D143 PolarHBondContact CE1-OD1 3.38Å; H49-D143 VanDerWaalsContact CE1-OD1 3.29Å; H49-D143 IonicContact NE2-OD1 2.67Å; H49-D143 PolarHBondContact NE2-OD1 3.34Å; M53-D143 HydrophobicContact CE-CB 3.63Å; M53-D143 HydrophobicContact SD-CB 3.91Å; Y128-D143 PolarHBondContact OH-OD2 3.42Å; V139-D143 PolarHBondContact O-N 2.71Å; K140-D143 IonicContact NZ-OD2 3.37Å; K140-D143 PolarHBondContact NZ-OD2 2.72Å; D143-M147 WeakPolarHBondContact O-CB 3.49Å; D143-M147 PolarHBondContact O-N 3.05Å
144Q98.8Very high98.9Very high24 Ų2424.5 Ų24.511%0.11212%0.124CC..Hα-helixtrans-68.4-41179.6-69.9171-11.500113.5K140 L142 M147 I148 T171 K174 F175K140-Q144 PolarHBondContact O-N 3.3Å; L142-Q144 VanDerWaalsContact C-N 3.31Å; L142-Q144 PolarHBondContact O-N 3.2Å; Q144-M147 PolarHBondContact O-N 3.46Å; Q144-I148 WeakPolarHBondContact O-CG1 3.39Å; Q144-I148 PolarHBondContact O-N 2.67Å; Q144-T171 HydrophobicContact CB-CG2 4.22Å; Q144-K174 VanDerWaalsContact NE2-CD 3.29Å; Q144-K174 VanDerWaalsContact OE1-CB 3.27Å; Q144-F175 HydrophobicContact CB-CE1 3.65Å; Q144-F175 HydrophobicContact CB-CZ 3.78Å
145C98.9Very high98.9Very high2 Ų221.9 Ų21.91%0.01410%0.102CC..Hα-helixtrans-66.5-41.3178.6-178.30000111.3M56 Q141 L142 I148 L149 F175 I180 V184M56-C145 HydrophobicContact CE-CB 3.95Å; Q141-C145 WeakPolarHBondContact O-CB 3.46Å; Q141-C145 PolarHBondContact O-N 3.07Å; L142-C145 PolarHBondContact O-N 2.94Å; C145-I148 WeakPolarHBondContact O-CG1 3.38Å; C145-L149 WeakPolarHBondContact O-CB 3.14Å; C145-L149 PolarHBondContact O-N 3.41Å; C145-F175 HydrophobicContact CB-CE1 4.06Å; C145-I180 HydrophobicContact CB-CG2 3.92Å; C145-V184 HydrophobicContact CB-CG2 4.31Å
146E98.9Very high98.8Very high1 Ų124 Ų241%0.00511%0.114CC..Hα-helixtrans-63.6-44177.4-163.8-75.2160.200110.2H49 R52 M53 M56 L142 I148 L149 Q150H49-E146 IonicContact CE1-OE2 3.4Å; H49-E146 PolarHBondContact CE1-OE2 3.25Å; H49-E146 IonicContact CG-OE2 3.47Å; H49-E146 IonicContact ND1-OE2 2.84Å; H49-E146 PolarHBondContact ND1-OE2 3.23Å; R52-E146 HydrophobicContact CB-CG 4.11Å; R52-E146 HydrophobicContact CG-CG 4.09Å; R52-E146 IonicContact CZ-OE1 2.67Å; R52-E146 IonicContact NE-OE1 3.5Å; R52-E146 PolarHBondContact NE-OE1 3.1Å; R52-E146 IonicContact NH2-OE1 3.21Å; R52-E146 PolarHBondContact NH2-OE1 3.46Å; M53-E146 HydrophobicContact CG-CB 3.99Å; M53-E146 HydrophobicContact CG-CG 3.99Å; M56-E146 HydrophobicContact CE-CB 4.04Å; M56-E146 HydrophobicContact SD-CB 3.64Å; M56-E146 HydrophobicContact SD-CG 3.65Å; L142-E146 WeakPolarHBondContact O-CB 3.26Å; L142-E146 PolarHBondContact O-N 3.47Å; E146-I148 PolarHBondContact O-N 2.75Å; E146-L149 PolarHBondContact O-N 3.14Å; E146-Q150 WeakPolarHBondContact O-CB 3.45Å; E146-Q150 PolarHBondContact O-N 3.05Å
147M98.8Very high98.8Very high26 Ų2630.1 Ų30.113%0.12815%0.147CC..Hα-helixtrans-58.7-47.5177.5-178.8-171.873.600112.5W35 D143 Q144 Q150 A151 F167 T171W35-M147 HydrophobicContact CH2-CG 4.02Å; W35-M147 VanDerWaalsContact CH2-O 3.27Å; W35-M147 WeakPolarHBondContact CH2-O 3.27Å; W35-M147 HydrophobicContact CZ2-CG 4.01Å; D143-M147 WeakPolarHBondContact O-CB 3.49Å; D143-M147 PolarHBondContact O-N 3.05Å; Q144-M147 PolarHBondContact O-N 3.46Å; M147-Q150 PolarHBondContact O-N 3.47Å; M147-A151 PolarHBondContact O-N 3.15Å; M147-F167 HydrophobicContact CE-CB 4.47Å; M147-F167 HydrophobicContact CE-CD1 4.15Å; M147-F167 HydrophobicContact CG-CD1 3.93Å; M147-F167 HydrophobicContact CG-CE1 4.45Å; M147-F167 HydrophobicContact SD-CD1 3.76Å; M147-F167 HydrophobicContact SD-CE1 4.29Å; M147-T171 HydrophobicContact CE-CG2 3.69Å
148I98.9Very high98.8Very high0 Ų027.1 Ų27.10%013%0.134CC..Hα-helixtrans-73.7-30.2-179.860175000112.5Q144 C145 E146 Q150 A151 S152 Y168 T171 F175 V184 L187Q144-I148 WeakPolarHBondContact O-CG1 3.39Å; Q144-I148 PolarHBondContact O-N 2.67Å; C145-I148 WeakPolarHBondContact O-CG1 3.38Å; E146-I148 PolarHBondContact O-N 2.75Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; I148-A151 WeakPolarHBondContact O-CB 3.35Å; I148-A151 PolarHBondContact O-N 3.16Å; I148-S152 PolarHBondContact O-N 3.43Å; I148-S152 VanDerWaalsContact O-N 3.12Å; I148-Y168 HydrophobicContact CB-CD1 4.19Å; I148-Y168 HydrophobicContact CB-CE1 3.88Å; I148-Y168 HydrophobicContact CB-CE2 4.37Å; I148-Y168 HydrophobicContact CD1-CD1 4.42Å; I148-Y168 HydrophobicContact CD1-CE1 4.27Å; I148-Y168 HydrophobicContact CG1-CE1 4.46Å; I148-Y168 HydrophobicContact CG2-CD1 4.32Å; I148-Y168 HydrophobicContact CG2-CG 4.36Å; I148-Y168 PolarHBondContact O-OH 3.46Å; I148-T171 HydrophobicContact CG2-CG2 3.71Å; I148-F175 HydrophobicContact CD1-CE2 3.84Å; I148-F175 HydrophobicContact CD1-CZ 3.8Å; I148-V184 HydrophobicContact CD1-CG1 3.86Å; I148-V184 HydrophobicContact CD1-CG2 4.06Å; I148-L187 HydrophobicContact CB-CD2 4.5Å; I148-L187 HydrophobicContact CD1-CD2 4.15Å; I148-L187 HydrophobicContact CG1-CD2 3.84Å
149L98.9Very high98.7Very high51 Ų5134.8 Ų34.827%0.26717%0.17SC..Hα-helixtrans-61.9-44.3168.9174.561.9000110.8C145 E146 A151 S152 E153 L187C145-L149 WeakPolarHBondContact O-CB 3.14Å; C145-L149 PolarHBondContact O-N 3.41Å; E146-L149 PolarHBondContact O-N 3.14Å; L149-A151 VanDerWaalsContact C-N 3.26Å; L149-A151 PolarHBondContact O-N 3.14Å; L149-S152 PolarHBondContact O-N 3.08Å; L149-S152 PolarHBondContact O-OG 3.3Å; L149-E153 WeakPolarHBondContact O-CG 3.45Å; L149-E153 PolarHBondContact O-N 3.22Å; L149-E153 VanDerWaalsContact O-N 3.1Å; L149-L187 HydrophobicContact CB-CD2 4.07Å; L149-L187 HydrophobicContact CD1-CD1 3.9Å
150Q98.9Very high98.6Very high19 Ų1939.9 Ų39.99%0.08919%0.192CC..Hα-helixtrans-63.8-34.8176.1-17053.581.300112.1W35 R52 E146 M147 I148 E153 Y154W35-Q150 HydrophobicContact CH2-CB 4.34Å; W35-Q150 HydrophobicContact CZ2-CB 3.8Å; W35-Q150 HydrophobicContact CZ2-CG 3.8Å; R52-Q150 VanDerWaalsContact NH2-CB 3.34Å; E146-Q150 WeakPolarHBondContact O-CB 3.45Å; E146-Q150 PolarHBondContact O-N 3.05Å; M147-Q150 PolarHBondContact O-N 3.47Å; I148-Q150 VanDerWaalsContact C-N 3.33Å; Q150-E153 PolarHBondContact NE2-OE2 3.38Å; Q150-E153 VanDerWaalsContact NE2-OE2 3.11Å; Q150-E153 PolarHBondContact O-N 2.95Å; Q150-E153 PolarHBondContact OE1-OE2 3.42Å; Q150-Y154 HydrophobicContact CG-CD2 3.84Å; Q150-Y154 HydrophobicContact CG-CE2 3.36Å; Q150-Y154 VanDerWaalsContact O-CD2 3.26Å; Q150-Y154 WeakPolarHBondContact O-CD2 3.48Å; Q150-Y154 PolarHBondContact O-N 2.91Å
151A98.9Very high98.6Very high0 Ų039 Ų390%019%0.193CC..Hα-helixtrans-60.9-49.1174.900000111.5W35 M147 I148 L149 E153 Y154 E155 L164 F167 Y168W35-A151 HydrophobicContact CH2-CB 3.83Å; W35-A151 HydrophobicContact CZ3-CB 3.97Å; M147-A151 PolarHBondContact O-N 3.15Å; I148-A151 WeakPolarHBondContact O-CB 3.35Å; I148-A151 PolarHBondContact O-N 3.16Å; L149-A151 VanDerWaalsContact C-N 3.26Å; L149-A151 PolarHBondContact O-N 3.14Å; A151-E153 VanDerWaalsContact C-N 3.32Å; A151-E153 PolarHBondContact O-N 2.87Å; A151-Y154 PolarHBondContact O-N 3.45Å; A151-E155 WeakPolarHBondContact O-CG 3.49Å; A151-E155 PolarHBondContact O-N 2.97Å; A151-L164 HydrophobicContact CB-CB 4.14Å; A151-L164 HydrophobicContact CB-CD1 4.35Å; A151-F167 HydrophobicContact CB-CB 4.18Å; A151-F167 HydrophobicContact CB-CG 4.5Å; A151-Y168 HydrophobicContact CB-CE2 3.92Å
152S98.8Very high98.5Very high9 Ų939.4 Ų39.46%0.06320%0.201CC..Hα-helixtrans-61.7-40.917656.60000112.2I148 L149 Y154 E155 D156 Y168 L187I148-S152 PolarHBondContact O-N 3.43Å; I148-S152 VanDerWaalsContact O-N 3.12Å; L149-S152 PolarHBondContact O-N 3.08Å; L149-S152 PolarHBondContact O-OG 3.3Å; S152-Y154 VanDerWaalsContact C-N 3.31Å; S152-Y154 PolarHBondContact O-N 3.48Å; S152-E155 WeakPolarHBondContact O-CB 3.47Å; S152-E155 PolarHBondContact O-N 3.09Å; S152-D156 WeakPolarHBondContact O-CB 3.3Å; S152-D156 VanDerWaalsContact O-CG 3.29Å; S152-D156 PolarHBondContact O-N 3.09Å; S152-Y168 WeakPolarHBondContact CB-OH 3.26Å; S152-L187 WeakPolarHBondContact OG-CD1 3.34Å
153E98.9Very high98.5Very high62 Ų6241.7 Ų41.729%0.2922%0.217SC..Hα-helixtrans-62.4-38.4179.1-71.8171162.100112.1R52 L149 Q150 A151 D156 L157R52-E153 IonicContact CZ-OE2 2.81Å; R52-E153 IonicContact NH1-OE1 3.01Å; R52-E153 PolarHBondContact NH1-OE1 2.55Å; R52-E153 IonicContact NH1-OE2 3.49Å; R52-E153 PolarHBondContact NH1-OE2 2.8Å; R52-E153 IonicContact NH2-OE2 3.73Å; R52-E153 PolarHBondContact NH2-OE2 2.93Å; L149-E153 WeakPolarHBondContact O-CG 3.45Å; L149-E153 PolarHBondContact O-N 3.22Å; L149-E153 VanDerWaalsContact O-N 3.1Å; Q150-E153 PolarHBondContact NE2-OE2 3.38Å; Q150-E153 VanDerWaalsContact NE2-OE2 3.11Å; Q150-E153 PolarHBondContact O-N 2.95Å; Q150-E153 PolarHBondContact OE1-OE2 3.42Å; A151-E153 VanDerWaalsContact C-N 3.32Å; A151-E153 PolarHBondContact O-N 2.87Å; E153-D156 PolarHBondContact O-N 3.39Å; E153-L157 WeakPolarHBondContact O-CB 3.43Å; E153-L157 WeakPolarHBondContact O-CG 3.48Å; E153-L157 PolarHBondContact O-N 3.42Å
154Y98.9Very high98.5Very high18 Ų1841.4 Ų41.47%0.07122%0.215CC..Hα-helixtrans-69.8-39.1173.6-74.2-47.5000112.6W35 V40 E44 Q150 A151 S152 D156 L157 E158W35-Y154 HydrophobicContact CB-CE2 4.4Å; W35-Y154 AromaticContact CD1-CE2 3.81Å; W35-Y154 AromaticContact CD2-CD2 3.96Å; W35-Y154 HydrophobicContact CD2-CD2 3.96Å; W35-Y154 AromaticContact CD2-CE2 3.7Å; W35-Y154 HydrophobicContact CD2-CE2 3.7Å; W35-Y154 AromaticContact CE2-CE2 3.87Å; W35-Y154 AromaticContact CE3-CD2 3.96Å; W35-Y154 HydrophobicContact CE3-CD2 3.96Å; W35-Y154 HydrophobicContact CE3-CE2 4.19Å; W35-Y154 HydrophobicContact CG-CD2 4.36Å; W35-Y154 AromaticContact CG-CE2 3.75Å; W35-Y154 HydrophobicContact CG-CE2 3.75Å; W35-Y154 HydrophobicContact CZ3-CD2 4.36Å; W35-Y154 AromaticContact NE1-CE2 3.89Å; V40-Y154 HydrophobicContact CG1-CD1 3.45Å; V40-Y154 VanDerWaalsContact CG1-CD1 3.45Å; V40-Y154 HydrophobicContact CG1-CD2 3.91Å; V40-Y154 HydrophobicContact CG1-CE1 3.51Å; V40-Y154 HydrophobicContact CG1-CE2 3.95Å; V40-Y154 HydrophobicContact CG1-CG 3.69Å; V40-Y154 HydrophobicContact CG2-CD2 4.29Å; V40-Y154 HydrophobicContact CG2-CG 4.34Å; E44-Y154 WeakPolarHBondContact CB-OH 3.31Å; E44-Y154 PolarHBondContact N-OH 3Å; Q150-Y154 HydrophobicContact CG-CD2 3.84Å; Q150-Y154 HydrophobicContact CG-CE2 3.36Å; Q150-Y154 VanDerWaalsContact O-CD2 3.26Å; Q150-Y154 WeakPolarHBondContact O-CD2 3.48Å; Q150-Y154 PolarHBondContact O-N 2.91Å; A151-Y154 PolarHBondContact O-N 3.45Å; S152-Y154 VanDerWaalsContact C-N 3.31Å; S152-Y154 PolarHBondContact O-N 3.48Å; Y154-D156 VanDerWaalsContact C-N 3.29Å; Y154-D156 PolarHBondContact O-N 3.23Å; Y154-L157 HydrophobicContact CD1-CD1 4.35Å; Y154-L157 PolarHBondContact O-N 3.46Å; Y154-E158 WeakPolarHBondContact O-CB 3.37Å; Y154-E158 WeakPolarHBondContact O-CG 3.29Å; Y154-E158 PolarHBondContact O-N 3.48Å
155E98.6Very high98.5Very high2 Ų243.5 Ų43.51%0.00923%0.225CC..Hα-helixtrans-58.6-42.9172.9-71.3179.8170.900111.5A151 S152 H159 K160 G162 S163 L164 R191A151-E155 WeakPolarHBondContact O-CG 3.49Å; A151-E155 PolarHBondContact O-N 2.97Å; S152-E155 WeakPolarHBondContact O-CB 3.47Å; S152-E155 PolarHBondContact O-N 3.09Å; E155-H159 PolarHBondContact O-N 3.07Å; E155-K160 PolarHBondContact O-N 2.89Å; E155-G162 VanDerWaalsContact CD-N 3.29Å; E155-G162 WeakPolarHBondContact OE1-CA 3.46Å; E155-G162 PolarHBondContact OE1-N 2.74Å; E155-G162 PolarHBondContact OE2-N 3.24Å; E155-S163 PolarHBondContact OE1-N 2.8Å; E155-L164 HydrophobicContact CG-CB 3.97Å; E155-L164 HydrophobicContact CG-CD1 4.23Å; E155-L164 HydrophobicContact CG-CG 3.98Å; E155-L164 WeakPolarHBondContact OE1-CA 3.49Å; E155-L164 WeakPolarHBondContact OE1-CB 3.47Å; E155-L164 PolarHBondContact OE1-N 3.22Å; E155-R191 IonicContact OE1-CZ 3.51Å; E155-R191 IonicContact OE1-NE 2.7Å; E155-R191 IonicContact OE1-NH2 3.34Å; E155-R191 PolarHBondContact OE1-NH2 3.07Å; E155-R191 IonicContact OE2-CZ 2.74Å; E155-R191 IonicContact OE2-NE 2.78Å; E155-R191 PolarHBondContact OE2-NE 3.47Å; E155-R191 IonicContact OE2-NH2 3.57Å; E155-R191 PolarHBondContact OE2-NH2 3.06Å
156D98.4Very high98.4Very high78 Ų7846.9 Ų46.942%0.41724%0.243SC..Hα-helixtrans-66.3-48.2178.1-71.8-19.5000111.6S152 E153 Y154 E158 H159S152-D156 WeakPolarHBondContact O-CB 3.3Å; S152-D156 VanDerWaalsContact O-CG 3.29Å; S152-D156 PolarHBondContact O-N 3.09Å; E153-D156 PolarHBondContact O-N 3.39Å; Y154-D156 VanDerWaalsContact C-N 3.29Å; Y154-D156 PolarHBondContact O-N 3.23Å; D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact O-N 2.97Å; D156-H159 PolarHBondContact O-N 3.37Å; D156-H159 VanDerWaalsContact O-N 3.16Å
157L98.4Very high98.4Very high130 Ų13047.9 Ų47.968%0.68125%0.248SC*.Hα-helixtrans-62.6-34.2178.8-76.4171000112.9E153 Y154E153-L157 WeakPolarHBondContact O-CB 3.43Å; E153-L157 WeakPolarHBondContact O-CG 3.48Å; E153-L157 PolarHBondContact O-N 3.42Å; Y154-L157 HydrophobicContact CD1-CD1 4.35Å; Y154-L157 PolarHBondContact O-N 3.46Å
158E97.4Very high98.4Very high46 Ų4647 Ų4722%0.21524%0.243CC..THydrogen-bonded Turntrans-89.4-4.1178.9-65.2-165.4173.200113.2Q41 Y154 D156 K160Q41-E158 PolarHBondContact N-OE1 3.23Å; Y154-E158 WeakPolarHBondContact O-CB 3.37Å; Y154-E158 WeakPolarHBondContact O-CG 3.29Å; Y154-E158 PolarHBondContact O-N 3.48Å; D156-E158 VanDerWaalsContact C-N 3.29Å; D156-E158 PolarHBondContact O-N 2.97Å; E158-K160 HydrophobicContact CB-CB 4.43Å; E158-K160 HydrophobicContact CB-CD 4.12Å; E158-K160 HydrophobicContact CB-CG 4.21Å; E158-K160 PolarHBondContact O-N 3.35Å; E158-K160 IonicContact OE2-NZ 3.09Å; E158-K160 PolarHBondContact OE2-NZ 3.41Å
159H97.2Very high98.4Very high165 Ų16551.8 Ų51.876%0.76427%0.269SS*.THydrogen-bonded Turntrans52.441.5-171.6-56.5-66.8000112.5E155 D156 P161E155-H159 PolarHBondContact O-N 3.07Å; D156-H159 PolarHBondContact O-N 3.37Å; D156-H159 VanDerWaalsContact O-N 3.16Å; H159-P161 VanDerWaalsContact C-CD 3.45Å; H159-P161 WeakPolarHBondContact O-CD 3.28Å
160K97.5Very high98.3Very high108 Ų10851.9 Ų51.947%0.4727%0.274SS..  trans-125.767.4179.4-65.6175.9-162.6156.80110.2E155 E158 G162 S163E155-K160 PolarHBondContact O-N 2.89Å; E158-K160 HydrophobicContact CB-CB 4.43Å; E158-K160 HydrophobicContact CB-CD 4.12Å; E158-K160 HydrophobicContact CB-CG 4.21Å; E158-K160 PolarHBondContact O-N 3.35Å; E158-K160 IonicContact OE2-NZ 3.09Å; E158-K160 PolarHBondContact OE2-NZ 3.41Å; K160-G162 PolarHBondContact O-N 2.98Å; K160-S163 WeakPolarHBondContact CB-OG 3.45Å; K160-S163 VanDerWaalsContact O-CB 3.26Å; K160-S163 WeakPolarHBondContact O-CB 3.4Å; K160-S163 PolarHBondContact O-N 3.11Å; K160-S163 VanDerWaalsContact O-N 3.1Å; K160-S163 PolarHBondContact O-OG 2.92Å
161P97.9Very high98.3Very high51 Ų5151.1 Ų51.133%0.33127%0.27SS..THydrogen-bonded Turntrans-57.7131.3-178.724.5-33000110.4H159 S163 I195 A198H159-P161 VanDerWaalsContact C-CD 3.45Å; H159-P161 WeakPolarHBondContact O-CD 3.28Å; P161-S163 VanDerWaalsContact C-N 3.33Å; P161-S163 PolarHBondContact O-N 3.44Å; P161-I195 HydrophobicContact CB-CG1 3.91Å; P161-A198 HydrophobicContact CB-CB 4.42Å; P161-A198 HydrophobicContact CG-CB 3.46Å; P161-A198 VanDerWaalsContact CG-CB 3.46Å
162G98Very high98.2Very high22 Ų2254.9 Ų54.923%0.22730%0.301CS..THydrogen-bonded Turntrans84.6-4.9-179.600000115.8E155 K160 L164 Q165E155-G162 VanDerWaalsContact CD-N 3.29Å; E155-G162 WeakPolarHBondContact OE1-CA 3.46Å; E155-G162 PolarHBondContact OE1-N 2.74Å; E155-G162 PolarHBondContact OE2-N 3.24Å; K160-G162 PolarHBondContact O-N 2.98Å; G162-L164 VanDerWaalsContact C-N 3.25Å; G162-L164 PolarHBondContact O-N 2.87Å; G162-Q165 WeakPolarHBondContact O-CB 3.45Å; G162-Q165 PolarHBondContact O-N 3.36Å
163S98.4Very high98.1Very high47 Ų4758.6 Ų58.633%0.32934%0.341SS..THydrogen-bonded Turntrans-69.5-16.4-173.662.60000115.4R38 E155 K160 P161R38-S163 PolarHBondContact NH2-O 2.84Å; E155-S163 PolarHBondContact OE1-N 2.8Å; K160-S163 WeakPolarHBondContact CB-OG 3.45Å; K160-S163 VanDerWaalsContact O-CB 3.26Å; K160-S163 WeakPolarHBondContact O-CB 3.4Å; K160-S163 PolarHBondContact O-N 3.11Å; K160-S163 VanDerWaalsContact O-N 3.1Å; K160-S163 PolarHBondContact O-OG 2.92Å; P161-S163 VanDerWaalsContact C-N 3.33Å; P161-S163 PolarHBondContact O-N 3.44Å
164L98.6Very high98Very high8 Ų860.2 Ų60.24%0.04235%0.347CS..THydrogen-bonded Turntrans-113.829.1-179.4-59.6-177.5000112.2W35 R38 V40 A151 E155 G162 D166 F167W35-L164 HydrophobicContact CE3-CD1 4.31Å; W35-L164 HydrophobicContact CZ3-CD1 4.07Å; R38-L164 HydrophobicContact CB-CD2 3.93Å; R38-L164 HydrophobicContact CG-CD2 4.4Å; V40-L164 HydrophobicContact CG2-CD1 4.42Å; A151-L164 HydrophobicContact CB-CB 4.14Å; A151-L164 HydrophobicContact CB-CD1 4.35Å; E155-L164 HydrophobicContact CG-CB 3.97Å; E155-L164 HydrophobicContact CG-CD1 4.23Å; E155-L164 HydrophobicContact CG-CG 3.98Å; E155-L164 WeakPolarHBondContact OE1-CA 3.49Å; E155-L164 WeakPolarHBondContact OE1-CB 3.47Å; E155-L164 PolarHBondContact OE1-N 3.22Å; G162-L164 VanDerWaalsContact C-N 3.25Å; G162-L164 PolarHBondContact O-N 2.87Å; L164-D166 PolarHBondContact O-N 3Å; L164-F167 HydrophobicContact CB-CD2 3.96Å; L164-F167 HydrophobicContact CB-CE2 4.46Å; L164-F167 HydrophobicContact CD2-CD2 4.49Å; L164-F167 HydrophobicContact CD2-CE2 4.18Å; L164-F167 WeakPolarHBondContact O-CB 3.41Å; L164-F167 PolarHBondContact O-N 2.86Å; L164-F167 VanDerWaalsContact O-N 3.15Å
165Q98.6Very high98Very high68 Ų6861 Ų6132%0.31835%0.351SS..Hα-helixtrans-57.1-36.9-176-177.557.243.900115.6G162 F167 Y168 D169G162-Q165 WeakPolarHBondContact O-CB 3.45Å; G162-Q165 PolarHBondContact O-N 3.36Å; Q165-F167 PolarHBondContact O-N 2.88Å; Q165-Y168 WeakPolarHBondContact O-CA 3.49Å; Q165-Y168 WeakPolarHBondContact O-CB 3.1Å; Q165-Y168 PolarHBondContact O-N 3.33Å; Q165-D169 PolarHBondContact NE2-OD1 2.78Å; Q165-D169 PolarHBondContact O-N 3.1Å
166D98.4Very high98Very high74 Ų7466.7 Ų66.740%0.39638%0.381SS..Hα-helixtrans-57.8-27.5176.160.6-35.7000114R38 L164 S170R38-D166 IonicContact CZ-OD1 3.05Å; R38-D166 IonicContact CZ-OD2 3.81Å; R38-D166 IonicContact NH1-OD1 2.56Å; R38-D166 PolarHBondContact NH1-OD1 2.87Å; R38-D166 IonicContact NH1-OD2 3.31Å; R38-D166 PolarHBondContact NH1-OD2 3.05Å; R38-D166 IonicContact NH2-OD1 2.75Å; R38-D166 PolarHBondContact NH2-OD1 3.37Å; R38-D166 IonicContact NH2-OD2 3.68Å; L164-D166 PolarHBondContact O-N 3Å; D166-S170 WeakPolarHBondContact O-CB 3.47Å; D166-S170 PolarHBondContact O-N 3.12Å
167F98.5Very high98Very high22 Ų2263.7 Ų63.710%0.09636%0.364CS..Hα-helixtrans-65.1-44.2170.7-73-86.5000111W35 R38 M147 A151 L164 Q165 S170W35-F167 HydrophobicContact CD2-CZ 4.26Å; W35-F167 HydrophobicContact CE3-CD2 4.44Å; W35-F167 AromaticContact CE3-CE1 4Å; W35-F167 HydrophobicContact CE3-CE1 4Å; W35-F167 AromaticContact CE3-CE2 3.66Å; W35-F167 HydrophobicContact CE3-CE2 3.66Å; W35-F167 AromaticContact CE3-CZ 3.41Å; W35-F167 HydrophobicContact CE3-CZ 3.41Å; W35-F167 VanDerWaalsContact CE3-CZ 3.41Å; W35-F167 AromaticContact CH2-CD1 3.82Å; W35-F167 HydrophobicContact CH2-CD1 3.82Å; W35-F167 HydrophobicContact CH2-CD2 4.33Å; W35-F167 AromaticContact CH2-CE1 3.76Å; W35-F167 HydrophobicContact CH2-CE1 3.76Å; W35-F167 HydrophobicContact CH2-CE2 4.24Å; W35-F167 HydrophobicContact CH2-CG 4.11Å; W35-F167 AromaticContact CH2-CZ 3.98Å; W35-F167 HydrophobicContact CH2-CZ 3.98Å; W35-F167 HydrophobicContact CZ2-CE1 4.43Å; W35-F167 AromaticContact CZ3-CD1 3.84Å; W35-F167 HydrophobicContact CZ3-CD1 3.84Å; W35-F167 AromaticContact CZ3-CD2 3.64Å; W35-F167 HydrophobicContact CZ3-CD2 3.64Å; W35-F167 AromaticContact CZ3-CE1 3.54Å; W35-F167 HydrophobicContact CZ3-CE1 3.54Å; W35-F167 AromaticContact CZ3-CE2 3.29Å; W35-F167 HydrophobicContact CZ3-CE2 3.29Å; W35-F167 AromaticContact CZ3-CG 3.88Å; W35-F167 HydrophobicContact CZ3-CG 3.88Å; W35-F167 AromaticContact CZ3-CZ 3.25Å; W35-F167 HydrophobicContact CZ3-CZ 3.25Å; R38-F167 HydrophobicContact CG-CE2 4.08Å; R38-F167 HydrophobicContact CG-CZ 4.44Å; M147-F167 HydrophobicContact CE-CB 4.47Å; M147-F167 HydrophobicContact CE-CD1 4.15Å; M147-F167 HydrophobicContact CG-CD1 3.93Å; M147-F167 HydrophobicContact CG-CE1 4.45Å; M147-F167 HydrophobicContact SD-CD1 3.76Å; M147-F167 HydrophobicContact SD-CE1 4.29Å; A151-F167 HydrophobicContact CB-CB 4.18Å; A151-F167 HydrophobicContact CB-CG 4.5Å; L164-F167 HydrophobicContact CB-CD2 3.96Å; L164-F167 HydrophobicContact CB-CE2 4.46Å; L164-F167 HydrophobicContact CD2-CD2 4.49Å; L164-F167 HydrophobicContact CD2-CE2 4.18Å; L164-F167 WeakPolarHBondContact O-CB 3.41Å; L164-F167 PolarHBondContact O-N 2.86Å; L164-F167 VanDerWaalsContact O-N 3.15Å; Q165-F167 PolarHBondContact O-N 2.88Å; F167-S170 PolarHBondContact O-N 3.35Å; F167-S170 PolarHBondContact O-OG 2.74Å
168Y98.6Very high98Very high7 Ų760.9 Ų60.93%0.02735%0.354CS..Hα-helixtrans-62.8-48.3174.4-74.1-94.9000111I148 A151 S152 Q165 S170 T171 E188 R191I148-Y168 HydrophobicContact CB-CD1 4.19Å; I148-Y168 HydrophobicContact CB-CE1 3.88Å; I148-Y168 HydrophobicContact CB-CE2 4.37Å; I148-Y168 HydrophobicContact CD1-CD1 4.42Å; I148-Y168 HydrophobicContact CD1-CE1 4.27Å; I148-Y168 HydrophobicContact CG1-CE1 4.46Å; I148-Y168 HydrophobicContact CG2-CD1 4.32Å; I148-Y168 HydrophobicContact CG2-CG 4.36Å; I148-Y168 PolarHBondContact O-OH 3.46Å; A151-Y168 HydrophobicContact CB-CE2 3.92Å; S152-Y168 WeakPolarHBondContact CB-OH 3.26Å; Q165-Y168 WeakPolarHBondContact O-CA 3.49Å; Q165-Y168 WeakPolarHBondContact O-CB 3.1Å; Q165-Y168 PolarHBondContact O-N 3.33Å; Y168-S170 PolarHBondContact O-N 3.03Å; Y168-T171 PolarHBondContact O-N 2.78Å; Y168-T171 PolarHBondContact O-OG1 3.15Å; Y168-E188 HydrophobicContact CD1-CG 4.06Å; Y168-E188 HydrophobicContact CE1-CG 4.01Å; Y168-R191 VanDerWaalsContact CE2-CD 3.46Å; Y168-R191 VanDerWaalsContact CE2-NE 3.27Å; Y168-R191 WeakPolarHBondContact OH-CD 3.43Å
169D98.4Very high98.1Very high101 Ų10162.7 Ų62.754%0.5436%0.363SS..Hα-helixtrans-57.7-36.8178.6-61.5-14.4000111.4Q165 T171 A172Q165-D169 PolarHBondContact NE2-OD1 2.78Å; Q165-D169 PolarHBondContact O-N 3.1Å; D169-T171 PolarHBondContact O-N 3.18Å; D169-A172 WeakPolarHBondContact O-CB 3.34Å; D169-A172 PolarHBondContact O-N 2.77Å
170S97.8Very high98.2Very high53 Ų5354.9 Ų54.937%0.37133%0.326SS..THydrogen-bonded Turntrans-65.3-18.3177.287.10000113.8D166 F167 Y168 K174D166-S170 WeakPolarHBondContact O-CB 3.47Å; D166-S170 PolarHBondContact O-N 3.12Å; F167-S170 PolarHBondContact O-N 3.35Å; F167-S170 PolarHBondContact O-OG 2.74Å; Y168-S170 PolarHBondContact O-N 3.03Å; S170-K174 WeakPolarHBondContact O-CE 3.48Å; S170-K174 PolarHBondContact O-NZ 3.25Å
171T98.1Very high98.2Very high3 Ų352.2 Ų52.22%0.01832%0.319CS..THydrogen-bonded Turntrans-99.4-2.7-178.964.90000114.2Q144 M147 I148 Y168 D169 G173 K174 F175Q144-T171 HydrophobicContact CB-CG2 4.22Å; M147-T171 HydrophobicContact CE-CG2 3.69Å; I148-T171 HydrophobicContact CG2-CG2 3.71Å; Y168-T171 PolarHBondContact O-N 2.78Å; Y168-T171 PolarHBondContact O-OG1 3.15Å; D169-T171 PolarHBondContact O-N 3.18Å; T171-G173 PolarHBondContact O-N 3.3Å; T171-K174 WeakPolarHBondContact O-CB 3.06Å; T171-K174 PolarHBondContact O-N 2.7Å; T171-F175 HydrophobicContact CG2-CE2 4.3Å; T171-F175 HydrophobicContact CG2-CZ 4.16Å
172A96.2Very high98.3Very high78 Ų7855.8 Ų55.865%0.64533%0.332SS*.THydrogen-bonded Turntrans-52.7122.5-179.700000112D169 K174D169-A172 WeakPolarHBondContact O-CB 3.34Å; D169-A172 PolarHBondContact O-N 2.77Å; A172-K174 VanDerWaalsContact C-N 3.28Å; A172-K174 PolarHBondContact O-N 3.27Å
173G96.8Very high98.3Very high87 Ų8758.5 Ų58.590%0.89734%0.34SS*.THydrogen-bonded Turntrans72.99.517900000115.8T171T171-G173 PolarHBondContact O-N 3.3Å
174K98Very high98.3Very high96 Ų9656.6 Ų56.642%0.41733%0.327SS..  trans-91.9-17.5-179.7-58.9-168.4-179.6163.40114.4Q144 S170 T171 A172Q144-K174 VanDerWaalsContact NE2-CD 3.29Å; Q144-K174 VanDerWaalsContact OE1-CB 3.27Å; S170-K174 WeakPolarHBondContact O-CE 3.48Å; S170-K174 PolarHBondContact O-NZ 3.25Å; T171-K174 WeakPolarHBondContact O-CB 3.06Å; T171-K174 PolarHBondContact O-N 2.7Å; A172-K174 VanDerWaalsContact C-N 3.28Å; A172-K174 PolarHBondContact O-N 3.27Å
175F98.6Very high98.3Very high36 Ų3659.4 Ų59.416%0.15835%0.347CS..  trans-91.3133.5179-56.8-67000112.3Q141 Q144 C145 I148 T171 I180 V181 V184Q141-F175 HydrophobicContact CB-CD1 4.42Å; Q144-F175 HydrophobicContact CB-CE1 3.65Å; Q144-F175 HydrophobicContact CB-CZ 3.78Å; C145-F175 HydrophobicContact CB-CE1 4.06Å; I148-F175 HydrophobicContact CD1-CE2 3.84Å; I148-F175 HydrophobicContact CD1-CZ 3.8Å; T171-F175 HydrophobicContact CG2-CE2 4.3Å; T171-F175 HydrophobicContact CG2-CZ 4.16Å; F175-I180 HydrophobicContact CD1-CG2 3.7Å; F175-I180 HydrophobicContact CE1-CG2 4.11Å; F175-V181 HydrophobicContact CB-CG2 3.95Å; F175-V184 HydrophobicContact CD1-CG2 4.21Å; F175-V184 HydrophobicContact CD2-CB 4.42Å; F175-V184 HydrophobicContact CD2-CG1 3.96Å; F175-V184 HydrophobicContact CD2-CG2 4.07Å; F175-V184 HydrophobicContact CE1-CG2 4.07Å; F175-V184 HydrophobicContact CE2-CG1 3.9Å; F175-V184 HydrophobicContact CE2-CG2 3.92Å; F175-V184 HydrophobicContact CG-CG2 4.2Å; F175-V184 HydrophobicContact CZ-CG2 3.92Å
176N98.3Very high98.3Very high120 Ų12061.5 Ų61.564%0.64236%0.357SS*.  trans-147.3-12176.259.547.8000114Q141Q141-N176 PolarHBondContact NE2-OD1 3.38Å
177H98.8Very high98.3Very high15 Ų1558.8 Ų58.87%0.06934%0.342CS..SBendtrans-70.5125.3174.7-177.8-84.4000109.5D62 F138 E179 I180 V181D62-H177 IonicContact OD2-CD2 2.75Å; D62-H177 IonicContact OD2-NE2 2.88Å; D62-H177 PolarHBondContact OD2-NE2 3.27Å; F138-H177 AromaticContact CD2-CD2 3.64Å; F138-H177 AromaticContact CD2-CG 3.95Å; F138-H177 AromaticContact CD2-NE2 3.73Å; F138-H177 AromaticContact CE2-CE1 3.79Å; F138-H177 AromaticContact CE2-NE2 3.85Å; H177-E179 PolarHBondContact ND1-N 3.2Å; H177-E179 PolarHBondContact O-N 3.11Å; H177-I180 HydrophobicContact CB-CB 4.14Å; H177-I180 HydrophobicContact CB-CD1 3.93Å; H177-I180 HydrophobicContact CB-CG1 4.11Å; H177-I180 PolarHBondContact O-N 2.95Å; H177-V181 WeakPolarHBondContact O-CG2 3.26Å; H177-V181 PolarHBondContact O-N 3.17Å
178P98.6Very high98.3Very high72 Ų7261 Ų6147%0.46835%0.353SS..Hα-helixtrans-53.3-47.7-169.1-29.535.3000114.9I180 V181 Q182P178-I180 VanDerWaalsContact C-N 3.34Å; P178-I180 PolarHBondContact O-N 2.97Å; P178-V181 PolarHBondContact O-N 3.09Å; P178-Q182 WeakPolarHBondContact O-CG 3.34Å; P178-Q182 PolarHBondContact O-N 2.89Å; P178-Q182 VanDerWaalsContact O-N 3.09Å
179E98.7Very high98.3Very high84 Ų8463.3 Ų63.339%0.39337%0.373SS..Hα-helixtrans-68.8-32.9179.9-58.6-61.814000112.6I60 K61 H177 L183I60-E179 HydrophobicContact CG2-CB 3.71Å; K61-E179 WeakPolarHBondContact O-CG 3.44Å; H177-E179 PolarHBondContact ND1-N 3.2Å; H177-E179 PolarHBondContact O-N 3.11Å; E179-L183 WeakPolarHBondContact O-CB 3.37Å; E179-L183 PolarHBondContact O-N 3.05Å
180I98.8Very high98.4Very high0 Ų063.9 Ų63.90%037%0.373CS..Hα-helixtrans-74.7-40.9179.4-62175.6000109.1I60 F138 Q141 L142 C145 F175 H177 P178 Q182 L183 V184I60-I180 HydrophobicContact CG2-CG1 4.21Å; F138-I180 HydrophobicContact CD2-CD1 3.94Å; F138-I180 HydrophobicContact CE2-CD1 3.83Å; F138-I180 HydrophobicContact CE2-CG1 4.35Å; Q141-I180 HydrophobicContact CB-CD1 3.46Å; Q141-I180 VanDerWaalsContact CB-CD1 3.46Å; Q141-I180 HydrophobicContact CB-CG2 4.41Å; L142-I180 HydrophobicContact CD2-CD1 3.65Å; L142-I180 HydrophobicContact CD2-CG1 4.19Å; L142-I180 HydrophobicContact CG-CD1 4.37Å; C145-I180 HydrophobicContact CB-CG2 3.92Å; F175-I180 HydrophobicContact CD1-CG2 3.7Å; F175-I180 HydrophobicContact CE1-CG2 4.11Å; H177-I180 HydrophobicContact CB-CB 4.14Å; H177-I180 HydrophobicContact CB-CD1 3.93Å; H177-I180 HydrophobicContact CB-CG1 4.11Å; H177-I180 PolarHBondContact O-N 2.95Å; P178-I180 VanDerWaalsContact C-N 3.34Å; P178-I180 PolarHBondContact O-N 2.97Å; I180-Q182 VanDerWaalsContact C-N 3.29Å; I180-Q182 PolarHBondContact O-N 3.32Å; I180-L183 PolarHBondContact O-N 2.95Å; I180-V184 HydrophobicContact CG2-CG2 4.07Å; I180-V184 WeakPolarHBondContact O-CB 3.4Å; I180-V184 VanDerWaalsContact O-CG2 3.28Å; I180-V184 WeakPolarHBondContact O-CG2 3.38Å; I180-V184 PolarHBondContact O-N 2.89Å
181V98.8Very high98.4Very high53 Ų5361.9 Ų61.932%0.32136%0.357SS..Hα-helixtrans-58.2-42.9174.5170.10000111.1F175 H177 P178 S185F175-V181 HydrophobicContact CB-CG2 3.95Å; H177-V181 WeakPolarHBondContact O-CG2 3.26Å; H177-V181 PolarHBondContact O-N 3.17Å; P178-V181 PolarHBondContact O-N 3.09Å; V181-S185 WeakPolarHBondContact O-CB 3.41Å; V181-S185 PolarHBondContact O-N 2.7Å; V181-S185 PolarHBondContact O-OG 2.94Å
182Q98.7Very high98.4Very high126 Ų12665.7 Ų65.759%0.58938%0.377SS*.Hα-helixtrans-63-47.2175.4-72.6-179.421.100111.8P178 I180 V184 S185 E186P178-Q182 WeakPolarHBondContact O-CG 3.34Å; P178-Q182 PolarHBondContact O-N 2.89Å; P178-Q182 VanDerWaalsContact O-N 3.09Å; I180-Q182 VanDerWaalsContact C-N 3.29Å; I180-Q182 PolarHBondContact O-N 3.32Å; Q182-V184 PolarHBondContact O-N 3.03Å; Q182-S185 PolarHBondContact O-N 3.42Å; Q182-E186 PolarHBondContact O-N 3.43Å
183L98.8Very high98.5Very high79 Ų7964.8 Ų64.841%0.41437%0.369SS..Hα-helixtrans-60.9-44.3178.4-17960.4000112.4I60 E179 I180 S185 E186 L187I60-L183 HydrophobicContact CD1-CD2 3.91Å; E179-L183 WeakPolarHBondContact O-CB 3.37Å; E179-L183 PolarHBondContact O-N 3.05Å; I180-L183 PolarHBondContact O-N 2.95Å; L183-S185 VanDerWaalsContact C-N 3.34Å; L183-E186 PolarHBondContact O-N 3.4Å; L183-L187 WeakPolarHBondContact O-CB 3.15Å; L183-L187 PolarHBondContact O-N 3.35Å
184V98.8Very high98.5Very high7 Ų764.2 Ų64.24%0.04235%0.346CS..Hα-helixtrans-65-39.2176.8172.50000111.2C145 I148 F175 I180 Q182 E186 L187 E188C145-V184 HydrophobicContact CB-CG2 4.31Å; I148-V184 HydrophobicContact CD1-CG1 3.86Å; I148-V184 HydrophobicContact CD1-CG2 4.06Å; F175-V184 HydrophobicContact CD1-CG2 4.21Å; F175-V184 HydrophobicContact CD2-CB 4.42Å; F175-V184 HydrophobicContact CD2-CG1 3.96Å; F175-V184 HydrophobicContact CD2-CG2 4.07Å; F175-V184 HydrophobicContact CE1-CG2 4.07Å; F175-V184 HydrophobicContact CE2-CG1 3.9Å; F175-V184 HydrophobicContact CE2-CG2 3.92Å; F175-V184 HydrophobicContact CG-CG2 4.2Å; F175-V184 HydrophobicContact CZ-CG2 3.92Å; I180-V184 HydrophobicContact CG2-CG2 4.07Å; I180-V184 WeakPolarHBondContact O-CB 3.4Å; I180-V184 VanDerWaalsContact O-CG2 3.28Å; I180-V184 WeakPolarHBondContact O-CG2 3.38Å; I180-V184 PolarHBondContact O-N 2.89Å; Q182-V184 PolarHBondContact O-N 3.03Å; V184-E186 VanDerWaalsContact C-N 3.32Å; V184-E186 PolarHBondContact O-N 3.02Å; V184-L187 PolarHBondContact O-N 3.4Å; V184-E188 HydrophobicContact CG1-CG 4.26Å; V184-E188 WeakPolarHBondContact O-CB 3.34Å; V184-E188 WeakPolarHBondContact O-CG 3.49Å; V184-E188 PolarHBondContact O-N 3.48Å
185S98.6Very high98.5Very high66 Ų6661.9 Ų61.946%0.46234%0.338SS..Hα-helixtrans-61.8-41.3176.9-57.50000111.8V181 Q182 L183 A189V181-S185 WeakPolarHBondContact O-CB 3.41Å; V181-S185 PolarHBondContact O-N 2.7Å; V181-S185 PolarHBondContact O-OG 2.94Å; Q182-S185 PolarHBondContact O-N 3.42Å; L183-S185 VanDerWaalsContact C-N 3.34Å; S185-A189 WeakPolarHBondContact O-CB 3.33Å; S185-A189 PolarHBondContact O-N 3.5Å
186E98.8Very high98.4Very high112 Ų11263 Ų6352%0.52335%0.354SS..Hα-helixtrans-65.7-48.9175.9-169.764.4-15400111.1Q182 L183 V184 E188 A189 E190Q182-E186 PolarHBondContact O-N 3.43Å; L183-E186 PolarHBondContact O-N 3.4Å; V184-E186 VanDerWaalsContact C-N 3.32Å; V184-E186 PolarHBondContact O-N 3.02Å; E186-E188 VanDerWaalsContact C-N 3.35Å; E186-E188 PolarHBondContact O-N 3.38Å; E186-A189 WeakPolarHBondContact O-CB 3.33Å; E186-A189 PolarHBondContact O-N 2.69Å; E186-A189 VanDerWaalsContact O-N 3.11Å; E186-E190 PolarHBondContact O-N 3.02Å
187L98.8Very high98.3Very high18 Ų1859.8 Ų59.89%0.09434%0.343CS..Hα-helixtrans-55.4-47.9177.7173.362.7000112.2I148 L149 S152 L183 V184 A189 R191I148-L187 HydrophobicContact CB-CD2 4.5Å; I148-L187 HydrophobicContact CD1-CD2 4.15Å; I148-L187 HydrophobicContact CG1-CD2 3.84Å; L149-L187 HydrophobicContact CB-CD2 4.07Å; L149-L187 HydrophobicContact CD1-CD1 3.9Å; S152-L187 WeakPolarHBondContact OG-CD1 3.34Å; L183-L187 WeakPolarHBondContact O-CB 3.15Å; L183-L187 PolarHBondContact O-N 3.35Å; V184-L187 PolarHBondContact O-N 3.4Å; L187-A189 VanDerWaalsContact C-N 3.34Å; L187-R191 VanDerWaalsContact O-CB 3.3Å; L187-R191 WeakPolarHBondContact O-CB 3.5Å; L187-R191 PolarHBondContact O-N 3.47Å
188E98.6Very high98.1Very high69 Ų6961 Ų6132%0.32236%0.356SS..Hα-helixtrans-66.2-37.1178.3-73.1-176165.100111.8Y168 V184 E186 N192Y168-E188 HydrophobicContact CD1-CG 4.06Å; Y168-E188 HydrophobicContact CE1-CG 4.01Å; V184-E188 HydrophobicContact CG1-CG 4.26Å; V184-E188 WeakPolarHBondContact O-CB 3.34Å; V184-E188 WeakPolarHBondContact O-CG 3.49Å; V184-E188 PolarHBondContact O-N 3.48Å; E186-E188 VanDerWaalsContact C-N 3.35Å; E186-E188 PolarHBondContact O-N 3.38Å; E188-N192 WeakPolarHBondContact O-CB 3.39Å; E188-N192 PolarHBondContact O-N 2.97Å; E188-N192 PolarHBondContact O-ND2 3.03Å
189A98.6Very high97.7Very high54 Ų5461.8 Ų61.845%0.44637%0.368SS..Hα-helixtrans-64.1-48.4176.600000111.9S185 E186 L187 N192 A193S185-A189 WeakPolarHBondContact O-CB 3.33Å; S185-A189 PolarHBondContact O-N 3.5Å; E186-A189 WeakPolarHBondContact O-CB 3.33Å; E186-A189 PolarHBondContact O-N 2.69Å; E186-A189 VanDerWaalsContact O-N 3.11Å; L187-A189 VanDerWaalsContact C-N 3.34Å; A189-N192 PolarHBondContact O-N 2.95Å; A189-A193 PolarHBondContact O-N 2.83Å
190E98.7Very high97.1Very high114 Ų11462.1 Ų62.153%0.53338%0.38SS..Hα-helixtrans-60.1-50.1176.4-71.4-173-166.700111.3E186 N192 A193 N194E186-E190 PolarHBondContact O-N 3.02Å; E190-N192 PolarHBondContact O-N 3.35Å; E190-A193 WeakPolarHBondContact O-CB 3.45Å; E190-A193 PolarHBondContact O-N 2.98Å; E190-N194 PolarHBondContact O-N 2.89Å
191R98.5Very high96.1Very high11 Ų1168.8 Ų68.84%0.04241%0.411CS..Hα-helixtrans-59.9-44.9178.4177175.1174.5-91.48.4112.3E155 Y168 L187 A193 N194 I195E155-R191 IonicContact OE1-CZ 3.51Å; E155-R191 IonicContact OE1-NE 2.7Å; E155-R191 IonicContact OE1-NH2 3.34Å; E155-R191 PolarHBondContact OE1-NH2 3.07Å; E155-R191 IonicContact OE2-CZ 2.74Å; E155-R191 IonicContact OE2-NE 2.78Å; E155-R191 PolarHBondContact OE2-NE 3.47Å; E155-R191 IonicContact OE2-NH2 3.57Å; E155-R191 PolarHBondContact OE2-NH2 3.06Å; Y168-R191 VanDerWaalsContact CE2-CD 3.46Å; Y168-R191 VanDerWaalsContact CE2-NE 3.27Å; Y168-R191 WeakPolarHBondContact OH-CD 3.43Å; L187-R191 VanDerWaalsContact O-CB 3.3Å; L187-R191 WeakPolarHBondContact O-CB 3.5Å; L187-R191 PolarHBondContact O-N 3.47Å; R191-A193 VanDerWaalsContact C-N 3.29Å; R191-A193 PolarHBondContact O-N 3.22Å; R191-N194 WeakPolarHBondContact O-CB 2.97Å; R191-N194 PolarHBondContact O-N 2.77Å; R191-I195 HydrophobicContact CG-CD1 3.93Å; R191-I195 HydrophobicContact CG-CG1 4.49Å; R191-I195 WeakPolarHBondContact O-CG1 3.48Å; R191-I195 PolarHBondContact O-N 3.31Å
192N98.3Very high94.3Very high83 Ų8371.9 Ų71.944%0.44443%0.432SS..Hα-helixtrans-65.8-33.9-179.6-72.6-28.8000111.9E188 A189 E190 I195 A196E188-N192 WeakPolarHBondContact O-CB 3.39Å; E188-N192 PolarHBondContact O-N 2.97Å; E188-N192 PolarHBondContact O-ND2 3.03Å; A189-N192 PolarHBondContact O-N 2.95Å; E190-N192 PolarHBondContact O-N 3.35Å; N192-I195 PolarHBondContact O-N 3.21Å; N192-A196 WeakPolarHBondContact O-CB 3.34Å; N192-A196 PolarHBondContact O-N 2.9Å
193A98.1Very high92.4Very high58 Ų5875 Ų7548%0.47945%0.446SS..Hα-helixtrans-63.9-42.8172.100000111.6A189 E190 R191 A196 A197A189-A193 PolarHBondContact O-N 2.83Å; E190-A193 WeakPolarHBondContact O-CB 3.45Å; E190-A193 PolarHBondContact O-N 2.98Å; R191-A193 VanDerWaalsContact C-N 3.29Å; R191-A193 PolarHBondContact O-N 3.22Å; A193-A196 PolarHBondContact O-N 2.92Å; A193-A197 WeakPolarHBondContact O-CB 3.38Å; A193-A197 PolarHBondContact O-N 2.98Å
194N96.9Very high89.8Confident76 Ų7680 Ų8041%0.40649%0.489SS..Hα-helixtrans-63.5-42.3176.4-68.5-12000112.2E190 R191 A197 A198E190-N194 PolarHBondContact O-N 2.89Å; R191-N194 WeakPolarHBondContact O-CB 2.97Å; R191-N194 PolarHBondContact O-N 2.77Å; N194-A197 PolarHBondContact O-N 2.7Å; N194-A198 PolarHBondContact O-N 2.56Å
195I97.9Very high89.4Confident47 Ų4783.7 Ų83.724%0.24151%0.511CS..Hα-helixtrans-60.9-46.7174.6-67.9166.3000110.9P161 R191 N192 A197 A198 A199P161-I195 HydrophobicContact CB-CG1 3.91Å; R191-I195 HydrophobicContact CG-CD1 3.93Å; R191-I195 HydrophobicContact CG-CG1 4.49Å; R191-I195 WeakPolarHBondContact O-CG1 3.48Å; R191-I195 PolarHBondContact O-N 3.31Å; N192-I195 PolarHBondContact O-N 3.21Å; I195-A197 VanDerWaalsContact C-N 3.34Å; I195-A197 PolarHBondContact O-N 3.34Å; I195-A198 PolarHBondContact O-N 2.95Å; I195-A199 WeakPolarHBondContact O-CB 3.36Å; I195-A199 PolarHBondContact O-N 3.2Å
196A97.2Very high88.9Confident60 Ų6084.6 Ų84.650%0.49651%0.513SS..Hα-helixtrans-63.6-40.117900000112.1N192 A193 A199 S200N192-A196 WeakPolarHBondContact O-CB 3.34Å; N192-A196 PolarHBondContact O-N 2.9Å; A193-A196 PolarHBondContact O-N 2.92Å; A196-A199 PolarHBondContact O-N 3.48Å; A196-S200 PolarHBondContact O-N 3.26Å
197A95.5Very high88.3Confident51 Ų5183.1 Ų83.142%0.42151%0.513SS..Hα-helixtrans-61.2-49.317600000111.3A193 N194 I195 A199 S200 E201A193-A197 WeakPolarHBondContact O-CB 3.38Å; A193-A197 PolarHBondContact O-N 2.98Å; N194-A197 PolarHBondContact O-N 2.7Å; I195-A197 VanDerWaalsContact C-N 3.34Å; I195-A197 PolarHBondContact O-N 3.34Å; A197-A199 VanDerWaalsContact C-N 3.3Å; A197-A199 PolarHBondContact O-N 2.67Å; A197-S200 PolarHBondContact O-N 2.73Å; A197-S200 PolarHBondContact O-OG 3.4Å; A197-E201 PolarHBondContact O-N 2.75Å
198A93.8Very high87.7Confident40 Ų4086.9 Ų86.933%0.33154%0.538SS..Hα-helixtrans-63.2-33.7178.500000113.2P161 N194 I195 S200 E201P161-A198 HydrophobicContact CB-CB 4.42Å; P161-A198 HydrophobicContact CG-CB 3.46Å; P161-A198 VanDerWaalsContact CG-CB 3.46Å; N194-A198 PolarHBondContact O-N 2.56Å; I195-A198 PolarHBondContact O-N 2.95Å; A198-S200 PolarHBondContact O-N 3.37Å; A198-E201 PolarHBondContact O-N 3.4Å
199A90.8Very high87Confident89 Ų8988.1 Ų88.174%0.73655%0.551SS**Hα-helixtrans-69.3-20.6174.800000113.5I195 A196 A197I195-A199 WeakPolarHBondContact O-CB 3.36Å; I195-A199 PolarHBondContact O-N 3.2Å; A196-A199 PolarHBondContact O-N 3.48Å; A197-A199 VanDerWaalsContact C-N 3.3Å; A197-A199 PolarHBondContact O-N 2.67Å
200S86.3Confident86.2Confident91 Ų9190.3 Ų90.364%0.63656%0.558SS**Hα-helixtrans-92.2-10.3-179.673.50000114.1A196 A197 A198 P202A196-S200 PolarHBondContact O-N 3.26Å; A197-S200 PolarHBondContact O-N 2.73Å; A197-S200 PolarHBondContact O-OG 3.4Å; A198-S200 PolarHBondContact O-N 3.37Å; S200-P202 WeakPolarHBondContact O-CD 3.45Å
201E77.3Confident85.4Confident141 Ų14188.6 Ų88.666%0.65956%0.56SS**SBendtrans-72.1121176.8-71.7-168.7159.900110.6A197 A198 H203A197-E201 PolarHBondContact O-N 2.75Å; A198-E201 PolarHBondContact O-N 3.4Å; E201-H203 PolarHBondContact O-N 3.18Å
202P61.1Low84.3Confident118 Ų11894.6 Ų94.677%0.76660%0.6SS**  trans-64.3122.4176.825.1-31.2000109.2S200 S204S200-P202 WeakPolarHBondContact O-CD 3.45Å; P202-S204 PolarHBondContact O-N 3.2Å
203H58.4Low83.2Confident190 Ų19095.6 Ų95.688%0.8861%0.613SS**  trans-58.2102170.9-65.9-15.2000109.2E201E201-H203 PolarHBondContact O-N 3.18Å
204S45.2Very low81.8Confident186 Ų18699 Ų99100%1.30163%0.625SS**  trans-80.60173.657.30000111.7P202P202-S204 PolarHBondContact O-N 3.2Å

Retrieved 204 of 204 residues in 65.4 ms (Link to these results)

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