A0A087XJ86_POEFO Loading...

MAP6 domain containing 1

AlphaFold DB , UniProt , Accession A0A087XJ86, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 303 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
1M43.7Very low58.3Low231 Ų231125.6 Ų125.6100%1.13868%0.684SS**  0124.30-65.8-169.5121.400108.3
2A47Very low59.5Low97 Ų97122.5 Ų122.580%0.80267%0.666SS**  trans-80.5135.6-178.800000111.1P4A2-P4 WeakPolarHBondContact O-CD 3.49Å
3W52.8Low60.3Low220 Ų220117.8 Ų117.883%0.83365%0.654SS**  trans-111.388.5168.9-81.766.8000109.1C5W3-C5 VanDerWaalsContact C-N 3.32Å; W3-C5 PolarHBondContact O-N 3.23Å
4P58.6Low60.8Low96 Ų96123.2 Ų123.262%0.62366%0.659SS**  trans-850.5-17734.2-35.8000114.1A2A2-P4 WeakPolarHBondContact O-CD 3.49Å
5C52.3Low60.6Low93 Ų93122.7 Ų122.763%0.62865%0.649SS**SBendtrans-89.5-20.1-159.3-51.10000115.7W3W3-C5 VanDerWaalsContact C-N 3.32Å; W3-C5 PolarHBondContact O-N 3.23Å
6I59.9Low60.8Low118 Ų118125.8 Ų125.861%0.60565%0.649SS**Hα-helixtrans-80.8-24.7-174.2-78168.5000112.7C10I6-C10 WeakPolarHBondContact O-CB 3.45Å; I6-C10 PolarHBondContact O-N 3.33Å; I6-C10 PolarHBondContact O-SG 3.12Å
7S61.4Low61.2Low74 Ų74123.8 Ų123.852%0.51764%0.64SS.*Hα-helixtrans-64.7-53-177.661.90000112V9 C10 C11S7-V9 PolarHBondContact O-N 3.45Å; S7-C10 CarbonylContact O-C 3.57Å; S7-C10 PolarHBondContact O-N 2.83Å; S7-C11 VanDerWaalsContact O-CB 3.28Å; S7-C11 WeakPolarHBondContact O-CB 3.38Å; S7-C11 PolarHBondContact O-N 2.71Å; S7-C11 PolarHBondContact O-SG 3.21Å
8R68.9Low61Low204 Ų204124.7 Ų124.777%0.7764%0.64SS**Hα-helixtrans-64.6-37.2-168.4-157169.4-174.9105.8-1.7113.7L12R8-L12 WeakPolarHBondContact O-CG 3.42Å; R8-L12 PolarHBondContact O-N 3.33Å
9V69Low60.8Low105 Ų105123.2 Ų123.264%0.63663%0.629SS**Hα-helixtrans-73.3-40.8176.2-177.60000111.4S7 C11 L12 A13S7-V9 PolarHBondContact O-N 3.45Å; V9-C11 VanDerWaalsContact C-N 3.34Å; V9-C11 PolarHBondContact O-N 3.38Å; V9-L12 PolarHBondContact O-N 2.86Å; V9-A13 WeakPolarHBondContact O-CB 3.32Å; V9-A13 PolarHBondContact O-N 2.96Å
10C63.9Low60.7Low64 Ų64122.3 Ų122.343%0.43263%0.626SS.*Hα-helixtrans-67.7-31.9174-74.10000113.1I6 S7 R14I6-C10 WeakPolarHBondContact O-CB 3.45Å; I6-C10 PolarHBondContact O-N 3.33Å; I6-C10 PolarHBondContact O-SG 3.12Å; S7-C10 CarbonylContact O-C 3.57Å; S7-C10 PolarHBondContact O-N 2.83Å; C10-R14 PolarHBondContact O-N 3.04Å
11C64.4Low60.4Low80 Ų80123.8 Ų123.854%0.54163%0.628SS.*Hα-helixtrans-68.3-43.5172.9-73.70000111S7 V9 R14 F15S7-C11 VanDerWaalsContact O-CB 3.28Å; S7-C11 WeakPolarHBondContact O-CB 3.38Å; S7-C11 PolarHBondContact O-N 2.71Å; S7-C11 PolarHBondContact O-SG 3.21Å; V9-C11 VanDerWaalsContact C-N 3.34Å; V9-C11 PolarHBondContact O-N 3.38Å; C11-R14 PolarHBondContact O-N 3.47Å; C11-F15 VanDerWaalsContact O-CB 3.27Å; C11-F15 WeakPolarHBondContact O-CB 3.37Å; C11-F15 PolarHBondContact O-N 2.74Å
12L72.3Confident61.2Low88 Ų88115.6 Ų115.646%0.46159%0.593SS.*Hα-helixtrans-60.5-49171-73.1171.2000110.6R8 V9 R14 F15 W16R8-L12 WeakPolarHBondContact O-CG 3.42Å; R8-L12 PolarHBondContact O-N 3.33Å; V9-L12 PolarHBondContact O-N 2.86Å; L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.27Å; L12-F15 WeakPolarHBondContact O-CB 3.34Å; L12-F15 PolarHBondContact O-N 3.08Å; L12-W16 PolarHBondContact O-N 3.18Å
13A69.8Low61.6Low62 Ų62114.3 Ų114.351%0.51257%0.573SS.*Hα-helixtrans-57.7-38.1178.900000113V9 N17V9-A13 WeakPolarHBondContact O-CB 3.32Å; V9-A13 PolarHBondContact O-N 2.96Å; A13-N17 WeakPolarHBondContact O-CB 3.43Å; A13-N17 PolarHBondContact O-N 2.96Å; A13-N17 VanDerWaalsContact O-N 3.15Å
14R66.9Low61.6Low193 Ų193110.8 Ų110.873%0.72857%0.569SS**Hα-helixtrans-70.1-43171.5-87-171.1161.586.8-1.1113C10 C11 L12 N17 Q18C10-R14 PolarHBondContact O-N 3.04Å; C11-R14 PolarHBondContact O-N 3.47Å; L12-R14 VanDerWaalsContact C-N 3.28Å; L12-R14 PolarHBondContact O-N 3.27Å; R14-N17 PolarHBondContact O-N 3.35Å; R14-Q18 WeakPolarHBondContact O-CB 3.43Å; R14-Q18 PolarHBondContact O-N 3.01Å
15F58.8Low61.4Low116 Ų116110.6 Ų110.651%0.50957%0.57SS.*Hα-helixtrans-58.6-49.8177.1-179.4-95.3000111C11 L12 N17 Q18 F19C11-F15 VanDerWaalsContact O-CB 3.27Å; C11-F15 WeakPolarHBondContact O-CB 3.37Å; C11-F15 PolarHBondContact O-N 2.74Å; L12-F15 WeakPolarHBondContact O-CB 3.34Å; L12-F15 PolarHBondContact O-N 3.08Å; F15-N17 PolarHBondContact O-N 3.17Å; F15-Q18 PolarHBondContact O-N 3.02Å; F15-Q18 VanDerWaalsContact O-N 3.16Å; F15-F19 HydrophobicContact CE1-CD2 4.06Å; F15-F19 AromaticContact CZ-CD2 3.92Å; F15-F19 HydrophobicContact CZ-CD2 3.92Å; F15-F19 HydrophobicContact CZ-CE2 4.21Å; F15-F19 WeakPolarHBondContact O-CB 3.36Å; F15-F19 PolarHBondContact O-N 3.26Å
16W63.3Low61.6Low172 Ų172110.2 Ų110.265%0.65257%0.565SS**Hα-helixtrans-61-39.8175.3-73.8105.4000112.5L12 Q18 D20L12-W16 PolarHBondContact O-N 3.18Å; W16-Q18 VanDerWaalsContact C-N 3.32Å; W16-Q18 PolarHBondContact O-N 2.94Å; W16-D20 VanDerWaalsContact O-CB 3.22Å; W16-D20 WeakPolarHBondContact O-CB 3.23Å; W16-D20 PolarHBondContact O-N 3.24Å
17N67.1Low61.3Low91 Ų91108.2 Ų108.249%0.48756%0.56SS.*Hα-helixtrans-69.5-28.6176.6-158.7-75.3000113A13 R14 F15 K21A13-N17 WeakPolarHBondContact O-CB 3.43Å; A13-N17 PolarHBondContact O-N 2.96Å; A13-N17 VanDerWaalsContact O-N 3.15Å; R14-N17 PolarHBondContact O-N 3.35Å; F15-N17 PolarHBondContact O-N 3.17Å; N17-K21 WeakPolarHBondContact O-CD 3.5Å; N17-K21 WeakPolarHBondContact O-CG 3.42Å; N17-K21 WeakPolarHBondContact OD1-CE 3.43Å
18Q57.3Low61Low140 Ų140113 Ų11365%0.65458%0.579SS**Hα-helixtrans-77.5-44.9175.4-165.9167.90.500110.7R14 F15 W16 D20 K21 S22R14-Q18 WeakPolarHBondContact O-CB 3.43Å; R14-Q18 PolarHBondContact O-N 3.01Å; F15-Q18 PolarHBondContact O-N 3.02Å; F15-Q18 VanDerWaalsContact O-N 3.16Å; W16-Q18 VanDerWaalsContact C-N 3.32Å; W16-Q18 PolarHBondContact O-N 2.94Å; Q18-D20 PolarHBondContact O-N 2.95Å; Q18-K21 WeakPolarHBondContact O-CA 3.47Å; Q18-K21 PolarHBondContact O-N 3.26Å; Q18-S22 PolarHBondContact O-N 3.15Å; Q18-S22 PolarHBondContact O-OG 3.07Å
19F57.2Low60.5Low97 Ų97108.3 Ų108.343%0.42557%0.573SS.*Hα-helixtrans-58.7-43.1173.9-144.3-93.1000111.6F15 K21 S22 D23F15-F19 HydrophobicContact CE1-CD2 4.06Å; F15-F19 AromaticContact CZ-CD2 3.92Å; F15-F19 HydrophobicContact CZ-CD2 3.92Å; F15-F19 HydrophobicContact CZ-CE2 4.21Å; F15-F19 WeakPolarHBondContact O-CB 3.36Å; F15-F19 PolarHBondContact O-N 3.26Å; F19-K21 PolarHBondContact O-N 2.79Å; F19-K21 VanDerWaalsContact O-N 3.13Å; F19-S22 PolarHBondContact O-N 3.09Å; F19-D23 HydrophobicContact CD1-CB 3.63Å; F19-D23 WeakPolarHBondContact CD2-OD2 3.48Å; F19-D23 HydrophobicContact CE1-CB 3.6Å; F19-D23 HydrophobicContact CG-CB 4.16Å; F19-D23 HydrophobicContact CZ-CB 4.11Å; F19-D23 WeakPolarHBondContact O-CA 3.43Å; F19-D23 WeakPolarHBondContact O-CB 3.38Å; F19-D23 PolarHBondContact O-N 2.79Å
20D58.8Low59.9Low105 Ų105107.1 Ų107.156%0.56156%0.562SS**Hα-helixtrans-61.7-19.5175-170.142.8000113.3W16 Q18W16-D20 VanDerWaalsContact O-CB 3.22Å; W16-D20 WeakPolarHBondContact O-CB 3.23Å; W16-D20 PolarHBondContact O-N 3.24Å; Q18-D20 PolarHBondContact O-N 2.95Å
21K55.3Low59.7Low154 Ų154113.2 Ų113.267%0.6758%0.584SS**Hα-helixtrans-101.3-30.1178.5-69172.1-173.9-62.40114.1N17 Q18 F19N17-K21 WeakPolarHBondContact O-CD 3.5Å; N17-K21 WeakPolarHBondContact O-CG 3.42Å; N17-K21 WeakPolarHBondContact OD1-CE 3.43Å; Q18-K21 WeakPolarHBondContact O-CA 3.47Å; Q18-K21 PolarHBondContact O-N 3.26Å; F19-K21 PolarHBondContact O-N 2.79Å; F19-K21 VanDerWaalsContact O-N 3.13Å
22S59.6Low59.3Low58 Ų58113.9 Ų113.941%0.40658%0.582SS.*Hα-helixtrans-93.7-44.1178.249.20000113Q18 F19 S25Q18-S22 PolarHBondContact O-N 3.15Å; Q18-S22 PolarHBondContact O-OG 3.07Å; F19-S22 PolarHBondContact O-N 3.09Å; S22-S25 PolarHBondContact O-N 3.28Å; S22-S25 PolarHBondContact O-OG 2.85Å
23D55.3Low58.2Low71 Ų71119.5 Ų119.538%0.3860%0.599SS.*G310 helixtrans-92.6-7.1-167.8-64.6-90.5000113.4F19 S25 V26F19-D23 HydrophobicContact CD1-CB 3.63Å; F19-D23 WeakPolarHBondContact CD2-OD2 3.48Å; F19-D23 HydrophobicContact CE1-CB 3.6Å; F19-D23 HydrophobicContact CG-CB 4.16Å; F19-D23 HydrophobicContact CZ-CB 4.11Å; F19-D23 WeakPolarHBondContact O-CA 3.43Å; F19-D23 WeakPolarHBondContact O-CB 3.38Å; F19-D23 PolarHBondContact O-N 2.79Å; D23-S25 PolarHBondContact O-N 3.08Å; D23-V26 WeakPolarHBondContact O-CG2 3.19Å; D23-V26 PolarHBondContact O-N 3.34Å
24L53.3Low57.7Low145 Ų145120.5 Ų120.576%0.75960%0.602SS**G310 helixtrans-74.6-6.1163.2-139.377.6000112.9
25S55.6Low57.3Low92 Ų92116 Ų11664%0.64359%0.592SS**G310 helixtrans-97.633.7165.5690000113.5S22 D23 P27S22-S25 PolarHBondContact O-N 3.28Å; S22-S25 PolarHBondContact O-OG 2.85Å; D23-S25 PolarHBondContact O-N 3.08Å; S25-P27 WeakPolarHBondContact O-CD 3.42Å
26V54.8Low57.3Low86 Ų86113.9 Ų113.952%0.52159%0.586SS.*  trans-57.7116.4149.2172.20000106.8D23 L28D23-V26 WeakPolarHBondContact O-CG2 3.19Å; D23-V26 PolarHBondContact O-N 3.34Å; V26-L28 PolarHBondContact O-N 3.06Å
27P54.9Low57.2Low75 Ų75108.8 Ų108.849%0.48758%0.58SS.*  trans-67.8109.5179.227.3-32.6000108.7S25 T29 I30S25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-T29 PolarHBondContact O-N 2.8Å; P27-I30 PolarHBondContact O-N 3.27Å
28L54.9Low56.7Low175 Ų175109.1 Ų109.192%0.91658%0.579SS**THydrogen-bonded Turntrans-64.111.9166.9-65.1175.3000112.7V26V26-L28 PolarHBondContact O-N 3.06Å
29T57.1Low56.7Low105 Ų105108.8 Ų108.864%0.64458%0.577SS**THydrogen-bonded Turntrans-95.918.1173.970.20000112.8P27 Q31P27-T29 PolarHBondContact O-N 2.8Å; T29-Q31 PolarHBondContact O-N 3.23Å
30I57.3Low56.8Low81 Ų81110.1 Ų110.142%0.41559%0.585SS.*  trans-68.182.9164.2-55.7166.8000107.7P27 N32 I36P27-I30 PolarHBondContact O-N 3.27Å; I30-N32 VanDerWaalsContact CG2-O 3.26Å; I30-N32 WeakPolarHBondContact CG2-O 3.47Å; I30-N32 PolarHBondContact O-N 2.92Å; I30-I36 HydrophobicContact CD1-CD1 4.47Å; I30-I36 HydrophobicContact CD1-CG1 4.17Å; I30-I36 HydrophobicContact CG2-CD1 3.82Å; I30-I36 HydrophobicContact CG2-CG1 4.13Å
31Q59.1Low56.6Low191 Ų191109.6 Ų109.689%0.89359%0.585SS**  trans-72.8-0.8179.5-73.6-177.2-16.300112.8T29T29-Q31 PolarHBondContact O-N 3.23Å
32N56.9Low56.5Low95 Ų95109.7 Ų109.751%0.50858%0.581SS.*  trans-147117.7-179-163.1-32.1000111.3I30 S34I30-N32 VanDerWaalsContact CG2-O 3.26Å; I30-N32 WeakPolarHBondContact CG2-O 3.47Å; I30-N32 PolarHBondContact O-N 2.92Å; N32-S34 PolarHBondContact O-N 2.95Å; N32-S34 VanDerWaalsContact O-N 3.11Å; N32-S34 VanDerWaalsContact OD1-CB 3.28Å; N32-S34 WeakPolarHBondContact OD1-CB 3.48Å; N32-S34 PolarHBondContact OD1-N 2.82Å; N32-S34 VanDerWaalsContact OD1-N 3.08Å; N32-S34 PolarHBondContact OD1-OG 3.27Å
33Y49.8Very low56.4Low206 Ų206110.1 Ų110.181%0.80858%0.584SS**THydrogen-bonded Turntrans-69.1-4.9-179.2-75.7-89.4000114.3I36Y33-I36 HydrophobicContact CD1-CD1 4.12Å
34S58.7Low56.2Low82 Ų82111 Ų11157%0.57359%0.592SS**THydrogen-bonded Turntrans-78.7-26.8-178.3-450000113.8N32N32-S34 PolarHBondContact O-N 2.95Å; N32-S34 VanDerWaalsContact O-N 3.11Å; N32-S34 VanDerWaalsContact OD1-CB 3.28Å; N32-S34 WeakPolarHBondContact OD1-CB 3.48Å; N32-S34 PolarHBondContact OD1-N 2.82Å; N32-S34 VanDerWaalsContact OD1-N 3.08Å; N32-S34 PolarHBondContact OD1-OG 3.27Å
35D58Low56.1Low98 Ų98108.1 Ų108.152%0.52458%0.58SS.*Hα-helixtrans-80.2-26.7-170.6-135.2-9.4000113A37 E38 Q39D35-A37 PolarHBondContact O-N 2.81Å; D35-E38 PolarHBondContact O-N 3.39Å; D35-Q39 PolarHBondContact O-N 3.17Å; D35-Q39 VanDerWaalsContact O-N 3.08Å
36I59.3Low56Low73 Ų73110.8 Ų110.837%0.37458%0.581SS.*Hα-helixtrans-60.2-43.9-178.3-64.6135.6000111.4I30 Y33 E38 Q39 E40I30-I36 HydrophobicContact CD1-CD1 4.47Å; I30-I36 HydrophobicContact CD1-CG1 4.17Å; I30-I36 HydrophobicContact CG2-CD1 3.82Å; I30-I36 HydrophobicContact CG2-CG1 4.13Å; Y33-I36 HydrophobicContact CD1-CD1 4.12Å; I36-E38 VanDerWaalsContact C-N 3.31Å; I36-E38 PolarHBondContact O-N 3.04Å; I36-Q39 PolarHBondContact O-N 2.96Å; I36-E40 PolarHBondContact O-N 2.95Å
37A60.3Low55.7Low64 Ų64114.3 Ų114.353%0.52959%0.591SS.*Hα-helixtrans-66.1-32.6-176.600000112.5D35 V41D35-A37 PolarHBondContact O-N 2.81Å; A37-V41 WeakPolarHBondContact O-CG2 3.49Å
38E57.4Low55.1Low99 Ų99117.6 Ų117.646%0.46360%0.604SS.*Hα-helixtrans-78.9-35.6174.9-66.1-160.5-168.300112.6D35 I36 R42D35-E38 PolarHBondContact O-N 3.39Å; I36-E38 VanDerWaalsContact C-N 3.31Å; I36-E38 PolarHBondContact O-N 3.04Å; E38-R42 WeakPolarHBondContact O-CG 3.49Å; E38-R42 PolarHBondContact O-N 3.42Å; E38-R42 VanDerWaalsContact O-N 3.14Å; E38-R42 IonicContact OE2-CZ 3.19Å; E38-R42 IonicContact OE2-NH1 2.74Å; E38-R42 PolarHBondContact OE2-NH1 2.98Å; E38-R42 IonicContact OE2-NH2 2.76Å; E38-R42 PolarHBondContact OE2-NH2 2.86Å
39Q57.9Low54.6Low132 Ų132113.1 Ų113.162%0.61759%0.588SS**Hα-helixtrans-75.8-32.2-175.9-16715125.800113D35 I36 R42 S43D35-Q39 PolarHBondContact O-N 3.17Å; D35-Q39 VanDerWaalsContact O-N 3.08Å; I36-Q39 PolarHBondContact O-N 2.96Å; Q39-R42 PolarHBondContact O-N 3.11Å; Q39-S43 WeakPolarHBondContact O-CB 3.36Å; Q39-S43 PolarHBondContact O-N 3.48Å; Q39-S43 PolarHBondContact O-OG 2.94Å
40E58.7Low53.8Low125 Ų125114.7 Ų114.758%0.58459%0.592SS**Hα-helixtrans-63-43.4171.2-171.1174-175.300111.7I36 R42 S43 V44I36-E40 PolarHBondContact O-N 2.95Å; E40-R42 PolarHBondContact O-N 2.87Å; E40-S43 PolarHBondContact O-N 3.17Å; E40-S43 PolarHBondContact O-OG 3.27Å; E40-S43 VanDerWaalsContact O-OG 3.06Å; E40-V44 VanDerWaalsContact O-CG2 3.31Å; E40-V44 WeakPolarHBondContact O-CG2 3.45Å; E40-V44 PolarHBondContact O-N 2.81Å; E40-V44 VanDerWaalsContact O-N 3.11Å
41V54.1Low53.2Low95 Ų95115.9 Ų115.958%0.57661%0.608SS**Hα-helixtrans-65.1-39.2177.1175.90000111.7A37 T45A37-V41 WeakPolarHBondContact O-CG2 3.49Å; V41-T45 WeakPolarHBondContact O-CB 3.12Å; V41-T45 PolarHBondContact O-N 3.03Å; V41-T45 PolarHBondContact O-OG1 2.72Å
42R54.3Low52.2Low156 Ų156116.1 Ų116.159%0.58961%0.609SS**Hα-helixtrans-71.6-35.2178.3-72.1179.5-177.6115.410.5113E38 Q39 E40 K46E38-R42 WeakPolarHBondContact O-CG 3.49Å; E38-R42 PolarHBondContact O-N 3.42Å; E38-R42 VanDerWaalsContact O-N 3.14Å; E38-R42 IonicContact OE2-CZ 3.19Å; E38-R42 IonicContact OE2-NH1 2.74Å; E38-R42 PolarHBondContact OE2-NH1 2.98Å; E38-R42 IonicContact OE2-NH2 2.76Å; E38-R42 PolarHBondContact OE2-NH2 2.86Å; Q39-R42 PolarHBondContact O-N 3.11Å; E40-R42 PolarHBondContact O-N 2.87Å; R42-K46 PolarHBondContact O-N 3.07Å
43S56.9Low51.4Low67 Ų67118.5 Ų118.547%0.46962%0.621SS.*Hα-helixtrans-74-43.1179.865.60000112.2Q39 E40 T45 K46 Q47Q39-S43 WeakPolarHBondContact O-CB 3.36Å; Q39-S43 PolarHBondContact O-N 3.48Å; Q39-S43 PolarHBondContact O-OG 2.94Å; E40-S43 PolarHBondContact O-N 3.17Å; E40-S43 PolarHBondContact O-OG 3.27Å; E40-S43 VanDerWaalsContact O-OG 3.06Å; S43-T45 PolarHBondContact O-N 2.98Å; S43-K46 PolarHBondContact O-N 3.08Å; S43-Q47 PolarHBondContact O-N 3.28Å
44V49.8Very low50.8Low89 Ų89115.1 Ų115.154%0.53962%0.617SS.*Hα-helixtrans-62.2-43.2176.41730000111.4E40 K46 Q47E40-V44 VanDerWaalsContact O-CG2 3.31Å; E40-V44 WeakPolarHBondContact O-CG2 3.45Å; E40-V44 PolarHBondContact O-N 2.81Å; E40-V44 VanDerWaalsContact O-N 3.11Å; V44-K46 VanDerWaalsContact C-N 3.3Å; V44-K46 PolarHBondContact O-N 3.24Å; V44-Q47 PolarHBondContact O-N 3.03Å
45T52.8Low49.5Very low84 Ų84122 Ų12252%0.51563%0.632SS.*Hα-helixtrans-62.2-36.6178.3-56.90000112.3V41 S43 L48 S49V41-T45 WeakPolarHBondContact O-CB 3.12Å; V41-T45 PolarHBondContact O-N 3.03Å; V41-T45 PolarHBondContact O-OG1 2.72Å; S43-T45 PolarHBondContact O-N 2.98Å; T45-L48 PolarHBondContact O-N 3.13Å; T45-S49 PolarHBondContact O-OG 3.11Å
46K52.5Low48.3Very low149 Ų149123 Ų12365%0.64864%0.642SS**Hα-helixtrans-72.4-34.2-175.7-156.1172.2-174.1-179.60112.8R42 S43 V44 L48 S49R42-K46 PolarHBondContact O-N 3.07Å; S43-K46 PolarHBondContact O-N 3.08Å; V44-K46 VanDerWaalsContact C-N 3.3Å; V44-K46 PolarHBondContact O-N 3.24Å; K46-L48 PolarHBondContact O-N 3.22Å; K46-S49 PolarHBondContact O-N 3.28Å; K46-S49 VanDerWaalsContact O-N 3.16Å
47Q48.7Very low47.3Very low159 Ų159124 Ų12474%0.74366%0.661SS**Hα-helixtrans-65.5-15.8177-82.5-78.1-87.700114.5S43 V44S43-Q47 PolarHBondContact O-N 3.28Å; V44-Q47 PolarHBondContact O-N 3.03Å
48L42.3Very low46.6Very low144 Ų144126.7 Ų126.775%0.75467%0.673SS**THydrogen-bonded Turntrans-96.9-4176.4-62.5177.7000113.7T45 K46T45-L48 PolarHBondContact O-N 3.13Å; K46-L48 PolarHBondContact O-N 3.22Å
49S45.3Very low45.6Very low82 Ų82128.5 Ų128.557%0.57368%0.682SS**THydrogen-bonded Turntrans-92-18.9-174-590000114.5T45 K46 S51T45-S49 PolarHBondContact O-OG 3.11Å; K46-S49 PolarHBondContact O-N 3.28Å; K46-S49 VanDerWaalsContact O-N 3.16Å; S49-S51 PolarHBondContact O-N 3.04Å
50D40Very low44.9Very low138 Ų138128 Ų12874%0.73869%0.69SS**SBendtrans-94.615.2-170-66-29.9000114.3
51S45.3Very low44.1Very low106 Ų106132.2 Ų132.274%0.74170%0.7SS**SBendtrans-112.5-0.5-170.9-166.20000116.8S49S49-S51 PolarHBondContact O-N 3.04Å
52E36.9Very low43.4Very low196 Ų196134.4 Ų134.492%0.91671%0.714SS**  trans-123.5107.4177.8-68.7-164.3123.500112
53N41.2Very low42.4Very low145 Ų145138.2 Ų138.278%0.77573%0.728SS**  trans-119.4127-171.6-143.3-18.4000109.1
54N35.8Very low41.1Very low134 Ų134138.6 Ų138.672%0.71774%0.743SS**  trans65.9109.6170.5-52.3-74.7000118.6
55Y31.1Very low40.6Very low228 Ų228140.3 Ų140.389%0.89476%0.758SS**  -159119.6122.6-108.7-73.6000111.6
56T34.1Very low41Very low119 Ų119141.1 Ų141.173%0.7377%0.765SS**  trans39.6112.4151.9-52.80000120.8
57A38.7Very low40.2Very low94 Ų94142.9 Ų142.978%0.77778%0.775SS**  trans-73.9148.3153.200000111
58P44.1Very low39.8Very low120 Ų120139.2 Ų139.278%0.77977%0.772SS**  -141.2156.1101.137-23.9000115
59E36.3Very low40.4Very low137 Ų137138.5 Ų138.564%0.6478%0.776SS**  trans-87.6150.5172-160.1-112.2-162.400111R61E59-R61 VanDerWaalsContact CD-N 3.3Å; E59-R61 WeakPolarHBondContact OE1-CG 3.35Å; E59-R61 PolarHBondContact OE1-N 3.28Å; E59-R61 WeakPolarHBondContact OE2-CG 3.28Å; E59-R61 PolarHBondContact OE2-N 2.92Å
60P44.2Very low40.2Very low122 Ų122139.4 Ų139.479%0.79279%0.788SS**  -142.1130.9129.833.2-17.3000116.1
61R42.6Very low40.5Very low213 Ų213141.1 Ų141.180%0.80480%0.798SS**  trans-46.6143.5173.7-44.5176.8179.6135.1-0.2118.3E59E59-R61 VanDerWaalsContact CD-N 3.3Å; E59-R61 WeakPolarHBondContact OE1-CG 3.35Å; E59-R61 PolarHBondContact OE1-N 3.28Å; E59-R61 WeakPolarHBondContact OE2-CG 3.28Å; E59-R61 PolarHBondContact OE2-N 2.92Å
62V37.7Very low40.2Very low141 Ų141138.7 Ų138.786%0.85579%0.789SS**  trans-147.1100.2148.5-176.50000107.6
63R34.6Very low40.7Very low236 Ų236136 Ų13689%0.89179%0.789SS**  80.9101.775.4-174.9180-78.8-94.22.4116.4
64G29.8Very low41Very low75 Ų75141 Ų14177%0.77380%0.797SS**  trans82.1150.1152.500000117.5
65S39.2Very low41.4Very low124 Ų124137.2 Ų137.287%0.86779%0.789SS**  cis-160.8172.8-7.7-128.50000109.9
66P60.7Low42.5Very low101 Ų101133 Ų13366%0.65679%0.789SS**  trans-105.9-174.5-159.142-38.8000117.4
67H35.9Very low43.3Very low186 Ų186132.7 Ų132.786%0.86179%0.792SS**  trans103.9144175.2-62.9-60.1000114.9
68A40.4Very low43.9Very low83 Ų83139.3 Ų139.369%0.68680%0.797SS**  cis-164.7166.5-15.300000107.7
69P54.3Low44Very low128 Ų128138.2 Ų138.283%0.83180%0.798SS**  trans-82.6155.2-17234.1-35.3000113.6
70A40.8Very low44.7Very low101 Ų101143.3 Ų143.384%0.83581%0.812SS**  trans-139.4112.3168.400000110.4
71D45.9Very low45.4Very low174 Ų174148.5 Ų148.593%0.9382%0.815SS**  trans-64.5144.2172.6-74.5-62.3000111.8
72G40.3Very low45.9Very low55 Ų55146.1 Ų146.157%0.56781%0.813SS**  trans-158.1117.2174.700000111.4R74G72-R74 PolarHBondContact O-N 3.43Å
73P47.8Very low46.9Very low139 Ų139146 Ų14690%0.90382%0.815SS**  trans-73.2102.5-176.729-33.6000110.6G75P73-G75 PolarHBondContact O-N 2.92Å
74R47.3Very low48Very low252 Ų252139.1 Ų139.195%0.95180%0.804SS**  trans-73.491.9172.2-69.8-171.7-179-167.71.6110.5G72G72-R74 PolarHBondContact O-N 3.43Å
75G44.6Very low49.2Very low53 Ų53145 Ų14555%0.54680%0.804SS.*  trans-61.5147.4162.900000111.2P73 S77P73-G75 PolarHBondContact O-N 2.92Å; G75-S77 PolarHBondContact O-N 3.12Å
76P53.3Low50.3Low139 Ų139147 Ų14790%0.90380%0.797SS**  trans-76.383.5-176.330.8-35000111.5R78P76-R78 PolarHBondContact O-N 2.88Å
77S51.1Low50Low113 Ų113146.7 Ų146.779%0.7980%0.795SS**  trans-77.288.5177.951.10000112.4G75G75-S77 PolarHBondContact O-N 3.12Å
78R51.5Low51.2Low233 Ų233148.3 Ų148.388%0.87979%0.793SS**  trans59.3113.1154.7-58.5-175.9-178.9-139.5-2.6116.7P76 R80P76-R78 PolarHBondContact O-N 2.88Å; R78-R80 PolarHBondContact O-N 2.83Å
79A45.9Very low52.6Low97 Ų97151.8 Ų151.880%0.80280%0.796SS**  trans-44.4124.9161.200000111.3R81A79-R81 PolarHBondContact O-N 3.02Å
80R51.1Low53.4Low244 Ų244151.9 Ų151.992%0.92179%0.789SS**  trans-61.292.7173.8179.2-174.6-116.4-117.60.9108.8R78 E82R78-R80 PolarHBondContact O-N 2.83Å; R80-E82 PolarHBondContact O-N 3.35Å; R80-E82 VanDerWaalsContact O-N 3.16Å
81R59.5Low54.7Low232 Ų232155.7 Ų155.788%0.87578%0.783SS**  trans-64.3114.3167.1-79.5-164.9179.3-127.24107.9A79 P83A79-R81 PolarHBondContact O-N 3.02Å; R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.34Å
82E52.1Low56Low163 Ų163155.2 Ų155.276%0.76278%0.775SS**  trans-69.9115.7177.5-171.8161.4-170.600110R80 S84R80-E82 PolarHBondContact O-N 3.35Å; R80-E82 VanDerWaalsContact O-N 3.16Å; E82-S84 PolarHBondContact O-N 3.22Å
83P58.8Low57.4Low137 Ų137157.1 Ų157.189%0.8978%0.777SS**THydrogen-bonded Turntrans-7512.9-168.4-21.435.7000116.6R81R81-P83 VanDerWaalsContact O-CD 3.24Å; R81-P83 WeakPolarHBondContact O-CD 3.34Å
84S58.5Low58.7Low93 Ų93153.3 Ų153.365%0.6575%0.752SS**THydrogen-bonded Turntrans-14644.2-174.3-173.10000114.1E82 K86E82-S84 PolarHBondContact O-N 3.22Å; S84-K86 VanDerWaalsContact C-N 3.28Å; S84-K86 PolarHBondContact O-N 3.39Å
85Y53.4Low60.1Low198 Ų198145.5 Ų145.578%0.77675%0.751SS**  trans-75.287.4156.9-155.8-90.3000108.6P87Y85-P87 WeakPolarHBondContact O-CD 3.47Å
86K63Low61.8Low166 Ų166148.1 Ų148.172%0.72276%0.756SS**  trans-61.3125.7160-73.5-162.4175.5-168.90106.6S84 R88S84-K86 VanDerWaalsContact C-N 3.28Å; S84-K86 PolarHBondContact O-N 3.39Å; K86-R88 PolarHBondContact O-N 2.91Å
87P54.9Low63.1Low94 Ų94147.3 Ų147.361%0.6175%0.75SS**  trans-55.7114.6167.1-19.131.8000106.6Y85 E89Y85-P87 WeakPolarHBondContact O-CD 3.47Å; P87-E89 PolarHBondContact O-N 2.79Å; P87-E89 VanDerWaalsContact O-N 3.09Å
88R60.8Low64.1Low220 Ų220148.5 Ų148.583%0.8374%0.742SS**  trans-59.6115.8177.3-177.2-173.1-166.7-161.65106.2K86 D90K86-R88 PolarHBondContact O-N 2.91Å; R88-D90 PolarHBondContact O-N 2.75Å; R88-D90 VanDerWaalsContact O-N 3.1Å
89E69.5Low65.4Low157 Ų157142.5 Ų142.573%0.73473%0.733SS**  trans-34.5115-169.7-85.868.5-169.400111.1P87 Y91P87-E89 PolarHBondContact O-N 2.79Å; P87-E89 VanDerWaalsContact O-N 3.09Å; E89-Y91 PolarHBondContact O-N 2.91Å
90D71.4Confident67Low130 Ų130142.9 Ų142.970%0.69573%0.73SS**  trans-50.9127.7-169.6-71.1-58.3000109.4R88 H92R88-D90 PolarHBondContact O-N 2.75Å; R88-D90 VanDerWaalsContact O-N 3.1Å; D90-H92 PolarHBondContact O-CD2 3.01Å; D90-H92 PolarHBondContact O-N 3.32Å
91Y67.8Low68.7Low180 Ų180134.3 Ų134.371%0.70670%0.704SS**  trans-56.2102.1-169.9175.9-95.2000110.2E89 P93E89-Y91 PolarHBondContact O-N 2.91Å; Y91-P93 HydrophobicContact CE1-CB 4.35Å; Y91-P93 WeakPolarHBondContact O-CD 3.48Å
92H72.7Confident70Confident165 Ų165127 Ų12776%0.76469%0.686SS**  trans-73.9109.5174.6-77.2-70.1000108.3D90D90-H92 PolarHBondContact O-CD2 3.01Å; D90-H92 PolarHBondContact O-N 3.32Å
93P70.5Confident71.8Confident94 Ų94124.7 Ų124.761%0.6168%0.675SS**  trans-63.8136.4173.428.8-34.1000108.4Y91 G95Y91-P93 HydrophobicContact CE1-CB 4.35Å; Y91-P93 WeakPolarHBondContact O-CD 3.48Å; P93-G95 PolarHBondContact O-N 3.49Å
94P74.3Confident73Confident59 Ų59126 Ų12638%0.38366%0.663SS.*  trans-60.9133.2177.525-32.9000109.9V96 F98P94-V96 HydrophobicContact CB-CG2 4.18Å; P94-V96 PolarHBondContact O-N 3.26Å; P94-F98 HydrophobicContact CG-CE1 3.81Å; P94-F98 HydrophobicContact CG-CE2 3.85Å; P94-F98 HydrophobicContact CG-CZ 3.39Å
95G76.4Confident74.3Confident89 Ų89127.9 Ų127.992%0.91866%0.66SS**SBendtrans-68.3-1.1-179.400000114.9P93P93-G95 PolarHBondContact O-N 3.49Å
96V80.8Confident75.9Confident107 Ų107124.3 Ų124.365%0.64865%0.65SS**SBendtrans-97.7130.8169.2-77.40000109.4P94 F98P94-V96 HydrophobicContact CB-CG2 4.18Å; P94-V96 PolarHBondContact O-N 3.26Å; V96-F98 PolarHBondContact O-N 3.01Å
97P81.2Confident77.1Confident122 Ų122121.1 Ų121.179%0.79264%0.641SS**PPolyproline II helixtrans-54.4130.3172.7-2433.4000110.4
98F71.9Confident78.5Confident139 Ų139121.9 Ų121.961%0.6164%0.635SS**PPolyproline II helixtrans-55.8136.9173.1-70.7-80.8000109.7P94 V96 S100P94-F98 HydrophobicContact CG-CE1 3.81Å; P94-F98 HydrophobicContact CG-CE2 3.85Å; P94-F98 HydrophobicContact CG-CZ 3.39Å; V96-F98 PolarHBondContact O-N 3.01Å; F98-S100 PolarHBondContact O-N 3.26Å
99P78.5Confident79.7Confident106 Ų106120 Ų12069%0.68863%0.633SS**  trans-60.2110.217723.6-32.5000109.6V101P99-V101 PolarHBondContact O-N 3.15Å; P99-V101 VanDerWaalsContact O-N 3.11Å
100S80.6Confident80.3Confident106 Ų106116.8 Ų116.874%0.74163%0.626SS**SBendtrans-65.8-13.2-176.458.80000113.7F98F98-S100 PolarHBondContact O-N 3.26Å
101V85.3Confident80.6Confident64 Ų64121.1 Ų121.139%0.38863%0.632SS.*SBendtrans-117.3106.5175.5-171.50000107.9P99 K105 Q106P99-V101 PolarHBondContact O-N 3.15Å; P99-V101 VanDerWaalsContact O-N 3.11Å; V101-K105 HydrophobicContact CG1-CB 3.58Å; V101-K105 HydrophobicContact CG1-CD 4.26Å; V101-Q106 HydrophobicContact CG1-CG 3.66Å
102T88.5Confident81.3Confident79 Ų79118 Ų11849%0.48563%0.634SS.*  trans-64.8154.8172.356.50000110.6Y104 K105 Q106T102-Y104 PolarHBondContact O-N 3.36Å; T102-K105 WeakPolarHBondContact O-CA 3.06Å; T102-K105 WeakPolarHBondContact O-CB 3.27Å; T102-K105 PolarHBondContact O-N 2.78Å; T102-K105 PolarHBondContact OG1-N 2.74Å; T102-Q106 PolarHBondContact O-N 3.2Å
103Q88.3Confident81.5Confident113 Ų113117.2 Ų117.253%0.52863%0.634SS.*Hα-helixtrans-49.8-42.6173.6-173.359.741.700111.7K105 Q106 D107Q103-K105 VanDerWaalsContact C-N 3.29Å; Q103-K105 PolarHBondContact O-N 3.48Å; Q103-Q106 WeakPolarHBondContact O-CA 3.34Å; Q103-Q106 WeakPolarHBondContact O-CB 3.36Å; Q103-Q106 PolarHBondContact O-N 2.99Å; Q103-D107 WeakPolarHBondContact CG-OD2 3.44Å; Q103-D107 VanDerWaalsContact NE2-CG 3.31Å; Q103-D107 PolarHBondContact NE2-OD1 3.18Å; Q103-D107 PolarHBondContact NE2-OD2 3.45Å; Q103-D107 PolarHBondContact O-N 3.34Å
104Y84.9Confident81.7Confident165 Ų165116.1 Ų116.165%0.64763%0.627SS**Hα-helixtrans-53-39.5173.7176.9-97.1000114.1T102 F108T102-Y104 PolarHBondContact O-N 3.36Å; Y104-F108 HydrophobicContact CE1-CD2 4.31Å; Y104-F108 WeakPolarHBondContact O-CB 3.22Å; Y104-F108 PolarHBondContact O-N 3.49Å
105K84.9Confident81.7Confident132 Ų132121.4 Ų121.457%0.57464%0.639SS**Hα-helixtrans-71.6-30.3175.7-80.8-177.6171.1-178.70112.7V101 T102 Q103V101-K105 HydrophobicContact CG1-CB 3.58Å; V101-K105 HydrophobicContact CG1-CD 4.26Å; T102-K105 WeakPolarHBondContact O-CA 3.06Å; T102-K105 WeakPolarHBondContact O-CB 3.27Å; T102-K105 PolarHBondContact O-N 2.78Å; T102-K105 PolarHBondContact OG1-N 2.74Å; Q103-K105 VanDerWaalsContact C-N 3.29Å; Q103-K105 PolarHBondContact O-N 3.48Å
106Q87.9Confident81.3Confident124 Ų124121.4 Ų121.458%0.57961%0.614SS**Hα-helixtrans-73.3-39.5176.6-55.4-17516.800110.9V101 T102 Q103 F108V101-Q106 HydrophobicContact CG1-CG 3.66Å; T102-Q106 PolarHBondContact O-N 3.2Å; Q103-Q106 WeakPolarHBondContact O-CA 3.34Å; Q103-Q106 WeakPolarHBondContact O-CB 3.36Å; Q103-Q106 PolarHBondContact O-N 2.99Å; Q106-F108 VanDerWaalsContact C-N 3.33Å
107D88.4Confident80.5Confident99 Ų99122.2 Ų122.253%0.52961%0.61SS.*SBendtrans-85.3-2.8179.3-62.9-34.8000113.6Q103 K109Q103-D107 WeakPolarHBondContact CG-OD2 3.44Å; Q103-D107 VanDerWaalsContact NE2-CG 3.31Å; Q103-D107 PolarHBondContact NE2-OD1 3.18Å; Q103-D107 PolarHBondContact NE2-OD2 3.45Å; Q103-D107 PolarHBondContact O-N 3.34Å; D107-K109 VanDerWaalsContact C-N 3.33Å; D107-K109 PolarHBondContact O-N 3.3Å
108F84.8Confident79.8Confident109 Ų109121.7 Ų121.748%0.47860%0.601SS.*  trans-69.189.3179.4-171.1-95.6000111Y104 Q106 P110Y104-F108 HydrophobicContact CE1-CD2 4.31Å; Y104-F108 WeakPolarHBondContact O-CB 3.22Å; Y104-F108 PolarHBondContact O-N 3.49Å; Q106-F108 VanDerWaalsContact C-N 3.33Å; F108-P110 HydrophobicContact CE1-CB 3.98Å; F108-P110 WeakPolarHBondContact O-CD 3.48Å
109K85.5Confident79.8Confident181 Ų181118.5 Ų118.579%0.78759%0.587SS**  trans-80.7112.3163.7-65.8175.9-175174.40106.9D107 W111D107-K109 VanDerWaalsContact C-N 3.33Å; D107-K109 PolarHBondContact O-N 3.3Å; K109-W111 PolarHBondContact O-N 2.82Å
110P81.9Confident79.4Confident90 Ų90119.6 Ų119.658%0.58459%0.594SS**  trans-57.7131.3174.624.5-32.8000108.3F108F108-P110 HydrophobicContact CE1-CB 3.98Å; F108-P110 WeakPolarHBondContact O-CD 3.48Å
111W78.1Confident78.8Confident221 Ų221124.6 Ų124.684%0.83760%0.597SS**  trans-51135.7174.6-69.597000109.2K109 I113K109-W111 PolarHBondContact O-N 2.82Å; W111-I113 PolarHBondContact O-N 3.06Å
112P80.7Confident77.7Confident114 Ų114124.8 Ų124.874%0.7460%0.595SS**  trans-63.698.6-177.225.5-33.7000109.2P114P112-P114 VanDerWaalsContact O-CD 3.23Å; P112-P114 WeakPolarHBondContact O-CD 3.37Å; P112-P114 VanDerWaalsContact O-N 3.16Å
113I77.4Confident76.1Confident148 Ų148125.6 Ų125.676%0.75960%0.604SS**PPolyproline II helixtrans-63.2116.3177.1-58.3177.8000106.2W111 R115W111-I113 PolarHBondContact O-N 3.06Å; I113-R115 PolarHBondContact O-N 3.26Å; I113-R115 VanDerWaalsContact O-N 3.15Å
114P75.4Confident74.7Confident71 Ų71126.7 Ų126.746%0.46161%0.614SS.*PPolyproline II helixtrans-61.6124.8179.3-18.230.9000108.1P112 F119P112-P114 VanDerWaalsContact O-CD 3.23Å; P112-P114 WeakPolarHBondContact O-CD 3.37Å; P112-P114 VanDerWaalsContact O-N 3.16Å; P114-F119 HydrophobicContact CB-CE2 3.76Å; P114-F119 HydrophobicContact CB-CZ 3.89Å; P114-F119 HydrophobicContact CG-CE2 4.4Å; P114-F119 HydrophobicContact CG-CZ 4.16Å
115R73.4Confident73.3Confident170 Ų170122.8 Ų122.864%0.64262%0.624SS**PPolyproline II helixtrans-60.4149.7-175.8-65.4178.852.81161.2110I113 E117 N118I113-R115 PolarHBondContact O-N 3.26Å; I113-R115 VanDerWaalsContact O-N 3.15Å; R115-E117 VanDerWaalsContact CB-CD 3.49Å; R115-E117 HydrophobicContact CB-CG 4.03Å; R115-E117 WeakPolarHBondContact CB-OE2 3.5Å; R115-E117 IonicContact CZ-OE1 3.21Å; R115-E117 IonicContact NE-OE1 2.71Å; R115-E117 PolarHBondContact NE-OE1 2.88Å; R115-E117 IonicContact NE-OE2 3.8Å; R115-E117 IonicContact NH2-OE1 2.83Å; R115-E117 PolarHBondContact NH2-OE1 2.98Å; R115-E117 IonicContact NH2-OE2 3.97Å; R115-E117 PolarHBondContact O-N 3.39Å; R115-E117 VanDerWaalsContact O-N 3.08Å; R115-N118 WeakPolarHBondContact O-CB 3.36Å; R115-N118 PolarHBondContact O-N 3.42Å
116K67.7Low71.6Confident90 Ų90119.3 Ų119.339%0.39163%0.625SS.*G310 helixtrans-57.6-30.4-170.6-163.9178.6109.5-177.50112.4N118 F119 I122K116-N118 PolarHBondContact O-N 3.25Å; K116-F119 PolarHBondContact O-N 3.15Å; K116-I122 HydrophobicContact CD-CG2 3.76Å; K116-I122 HydrophobicContact CG-CB 3.94Å; K116-I122 HydrophobicContact CG-CD1 3.84Å; K116-I122 HydrophobicContact CG-CG1 4.48Å; K116-I122 HydrophobicContact CG-CG2 3.69Å
117E64.5Low69.7Low123 Ų123119 Ų11958%0.57564%0.637SS**G310 helixtrans-61.3-18.7172.754-98.8-134.200115.6R115 F119R115-E117 VanDerWaalsContact CB-CD 3.49Å; R115-E117 HydrophobicContact CB-CG 4.03Å; R115-E117 WeakPolarHBondContact CB-OE2 3.5Å; R115-E117 IonicContact CZ-OE1 3.21Å; R115-E117 IonicContact NE-OE1 2.71Å; R115-E117 PolarHBondContact NE-OE1 2.88Å; R115-E117 IonicContact NE-OE2 3.8Å; R115-E117 IonicContact NH2-OE1 2.83Å; R115-E117 PolarHBondContact NH2-OE1 2.98Å; R115-E117 IonicContact NH2-OE2 3.97Å; R115-E117 PolarHBondContact O-N 3.39Å; R115-E117 VanDerWaalsContact O-N 3.08Å; E117-F119 VanDerWaalsContact C-N 3.25Å; E117-F119 PolarHBondContact O-N 3.48Å
118N66.6Low67.8Low111 Ų111125.8 Ų125.859%0.59466%0.655SS**G310 helixtrans-79.4-3.6178-68.4-17.4000113.8R115 K116R115-N118 WeakPolarHBondContact O-CB 3.36Å; R115-N118 PolarHBondContact O-N 3.42Å; K116-N118 PolarHBondContact O-N 3.25Å
119F71.9Confident66.1Low72 Ų72123.9 Ų123.932%0.31667%0.666SS.*  trans-120.3102.8-174.7-65.9-73.8000111.2P114 K116 E117 W121 I122P114-F119 HydrophobicContact CB-CE2 3.76Å; P114-F119 HydrophobicContact CB-CZ 3.89Å; P114-F119 HydrophobicContact CG-CE2 4.4Å; P114-F119 HydrophobicContact CG-CZ 4.16Å; K116-F119 PolarHBondContact O-N 3.15Å; E117-F119 VanDerWaalsContact C-N 3.25Å; E117-F119 PolarHBondContact O-N 3.48Å; F119-W121 HydrophobicContact CD1-CZ2 4.41Å; F119-W121 AromaticContact CD1-NE1 3.88Å; F119-W121 PolarHBondContact O-N 2.92Å; F119-I122 HydrophobicContact CB-CB 4.46Å; F119-I122 HydrophobicContact CB-CD1 3.62Å; F119-I122 HydrophobicContact CB-CG1 3.59Å; F119-I122 HydrophobicContact CD2-CD1 3.7Å; F119-I122 HydrophobicContact CG-CD1 3.91Å; F119-I122 HydrophobicContact CG-CG1 4.36Å; F119-I122 PolarHBondContact O-N 3.4Å
120P70.6Confident64.2Low130 Ų130123.5 Ų123.584%0.84467%0.673SS**THydrogen-bonded Turntrans-65.2-13.5-176.425.9-34.5000114.1
121W67.1Low62.2Low210 Ų210123 Ų12380%0.79568%0.684SS**THydrogen-bonded Turntrans-83.3-13.7172.760.236.6000114.2F119 S123F119-W121 HydrophobicContact CD1-CZ2 4.41Å; F119-W121 AromaticContact CD1-NE1 3.88Å; F119-W121 PolarHBondContact O-N 2.92Å; W121-S123 PolarHBondContact O-N 3.1Å
122I62.2Low60.1Low68 Ų68116.9 Ų116.935%0.34968%0.68SS.*SBendtrans-93.260.7178.1-37.9175.6000108.9K116 F119 N124K116-I122 HydrophobicContact CD-CG2 3.76Å; K116-I122 HydrophobicContact CG-CB 3.94Å; K116-I122 HydrophobicContact CG-CD1 3.84Å; K116-I122 HydrophobicContact CG-CG1 4.48Å; K116-I122 HydrophobicContact CG-CG2 3.69Å; F119-I122 HydrophobicContact CB-CB 4.46Å; F119-I122 HydrophobicContact CB-CD1 3.62Å; F119-I122 HydrophobicContact CB-CG1 3.59Å; F119-I122 HydrophobicContact CD2-CD1 3.7Å; F119-I122 HydrophobicContact CG-CD1 3.91Å; F119-I122 HydrophobicContact CG-CG1 4.36Å; F119-I122 PolarHBondContact O-N 3.4Å; I122-N124 PolarHBondContact O-N 2.82Å
123S55.8Low58.2Low97 Ų97117.1 Ų117.168%0.67869%0.685SS**  trans-45.7140.6173.1-57.90000110.7W121 G125W121-S123 PolarHBondContact O-N 3.1Å; S123-G125 PolarHBondContact O-N 3.22Å
124N58.3Low56.2Low136 Ų136117.5 Ų117.573%0.72769%0.688SS**SBendtrans-71.433.2-172-71.9-33.6000115.1I122 G126I122-N124 PolarHBondContact O-N 2.82Å; N124-G126 PolarHBondContact O-N 3.46Å
125G57.1Low54.3Low83 Ų83119.9 Ų119.986%0.85671%0.706SS**THydrogen-bonded Turntrans-78.846.3-179.700000114.3S123S123-G125 PolarHBondContact O-N 3.22Å
126G49.2Very low52.3Low59 Ų59117 Ų11761%0.60871%0.712SS**THydrogen-bonded Turntrans179.728.5-175.100000116.5N124 R128N124-G126 PolarHBondContact O-N 3.46Å; G126-R128 PolarHBondContact O-N 2.82Å
127S46.2Very low51.4Low118 Ų118118 Ų11883%0.82573%0.728SS**  trans-82.290.1164-157.80000108.9
128R49.3Very low49.9Very low241 Ų241119.1 Ų119.191%0.90974%0.743SS**  trans-126.6110169.6-92.8-169.7163.9-159-5.1108.5G126G126-R128 PolarHBondContact O-N 2.82Å
129G49.6Very low48.3Very low68 Ų68119.6 Ų119.670%0.70175%0.746SS**SBendtrans75.388.9170.600000114.8
130D45.5Very low46.5Very low174 Ų174121.9 Ų121.993%0.9377%0.771SS**  -177.1122.795.4-93.2-24.3000109.6
131G38.9Very low44.7Very low80 Ų80124.4 Ų124.483%0.82577%0.769SS**  trans166.741.9-168.400000115.2
132A35.3Very low43.3Very low91 Ų91122.6 Ų122.675%0.75277%0.768SS**  trans-15092.8162.500000106
133S39.5Very low42Very low120 Ų120125.2 Ų125.284%0.83979%0.788SS**  79.4124.485.5-68.40000112.2
134D36.9Very low41Very low155 Ų155128.3 Ų128.383%0.82979%0.791SS**SBendtrans-53.4165.9170.3-70.3-69.8000113.9
135S34.6Very low39.8Very low121 Ų121126 Ų12685%0.84679%0.791SS**  trans79.299.7169.8690000118.7
136S31.1Very low38.8Very low110 Ų110130.8 Ų130.877%0.76979%0.791SS**  trans-78.3168.2147.61730000110
137P50.3Low38.1Very low111 Ų111134.8 Ų134.872%0.72180%0.803SS**  cis-127.9163.5-2729.4-12.3000113.4
138V32.7Very low37.6Very low147 Ų147132.7 Ų132.789%0.89180%0.8SS**  trans-162.7149.5132.2121.90000114.2
139N32.9Very low37.2Very low121 Ų121128.9 Ų128.965%0.64779%0.793SS**  trans-64.4136.7-179-175.120.9000114F141N139-F141 WeakPolarHBondContact OD1-CD2 3.45Å; N139-F141 WeakPolarHBondContact OD1-CE2 3.38Å
140S33.7Very low37.1Very low120 Ų120135.8 Ų135.884%0.83980%0.798SS**  trans-161.7119.7150.6-145.70000112.4
141F33.3Very low36.8Very low183 Ų183139.9 Ų139.980%0.80380%0.8SS**  trans-90.7130.8171.2-71.7-100.6000109.7N139N139-F141 WeakPolarHBondContact OD1-CD2 3.45Å; N139-F141 WeakPolarHBondContact OD1-CE2 3.38Å
142H36.4Very low36.9Very low171 Ų171140 Ų14079%0.79280%0.801SS**  trans-142.2129.4158.4-165.9-75.9000111.2
143V35.8Very low37.5Very low124 Ų124143 Ų14375%0.75281%0.805SS**  trans-93.3129.7179.7171.30000109.4
144Q33.4Very low37.8Very low162 Ų162148.9 Ų148.976%0.75781%0.809SS**  trans-163.6124.9137.4-118.6169.9-500113.1
145A33.1Very low38.3Very low86 Ų86148.4 Ų148.471%0.71181%0.805SS**  trans-69.4156151.100000109.3
146Q36.3Very low38.8Very low184 Ų184150.9 Ų150.986%0.8680%0.803SS**  trans-157.2154.3131.5-77.2-136.420.600110.9
147V36.3Very low39.6Very low143 Ų143154.8 Ų154.887%0.86781%0.81SS**  trans-84.6153.2-179.1171.30000110.3
148G34Very low39.1Very low74 Ų74157.2 Ų157.276%0.76381%0.811SS**  trans-169.791.4173.100000114.3
149E41.6Very low39.6Very low162 Ų162154.9 Ų154.976%0.75780%0.797SS**  trans-66.4172.9167.7-78.3-177.768.600113.3
150R46.5Very low40.1Very low213 Ų213154.2 Ų154.280%0.80480%0.798SS**  trans85.694.9156.8-48-168.5-178.5-171.9-0.1117.6
151R41.2Very low40.7Very low259 Ų259156.7 Ų156.798%0.97780%0.796SS**  trans-173.481.8135.7-99.3156.2-164.4-139.54.9109.6
152G40.3Very low41.4Very low83 Ų83155.1 Ų155.186%0.85679%0.791SS**  trans-116.74.718000000114.9
153D48.3Very low42.2Very low155 Ų155152 Ų15283%0.82978%0.78SS**  trans-118.755.7-165.5-165.916.2000112.1
154R45.2Very low42.7Very low243 Ų243155.7 Ų155.792%0.91779%0.786SS**SBendtrans-160.141.1173.2-152.7179.8175.9168.4-0.6113.8
155L46.8Very low43.9Very low144 Ų144150.5 Ų150.575%0.75477%0.766SS**SBendtrans-132.73.2175.2-148.189.3000115.1
156E46.2Very low45.2Very low173 Ų173150.2 Ų150.281%0.80876%0.758SS**SBendtrans-90.1-12.7-177.8-62.1-155.2127.600114.5
157Q47.5Very low46.5Very low192 Ų192145 Ų14590%0.89774%0.743SS**SBendtrans-93.10.3-176.7-74.1174.7-1.100115.1
158Q40.3Very low47.8Very low162 Ų162146.2 Ų146.276%0.75773%0.733SS**SBendtrans-102.2-7.6177.2-163172.3-28.200113.5T160Q158-T160 VanDerWaalsContact C-N 3.32Å; Q158-T160 PolarHBondContact O-N 3.37Å
159V43.1Very low49.2Very low99 Ų99151.2 Ų151.260%0.673%0.728SS**SBendtrans-79.1-14.4-175.8-178.20000112.9N163V159-N163 PolarHBondContact O-ND2 3.13Å
160T42.3Very low50.5Low107 Ų107149.5 Ų149.566%0.65672%0.721SS**SBendtrans-87-20.6-170.1-18.40000114.9Q158Q158-T160 VanDerWaalsContact C-N 3.32Å; Q158-T160 PolarHBondContact O-N 3.37Å
161E47.3Very low52Low171 Ų171146.2 Ų146.280%0.79971%0.714SS**SBendtrans-112.417.4-164.7-87.9-70.416500115.9
162E48.2Very low53.5Low151 Ų151140.5 Ų140.571%0.70669%0.694SS**  trans-118.99.1171.864.3179.3178.500115K164E162-K164 PolarHBondContact O-N 2.83Å
163N52.9Low55.2Low104 Ų104146.5 Ų146.556%0.55669%0.691SS**THydrogen-bonded Turntrans-76.721.7-176.7-62.9-47.4000115.1V159 T165V159-N163 PolarHBondContact O-ND2 3.13Å; N163-T165 VanDerWaalsContact C-N 3.26Å
164K46.4Very low56.3Low203 Ų203143.1 Ų143.188%0.88368%0.677SS**THydrogen-bonded Turntrans-87.715.8169.5-79.3176.5-178.9158.90113.4E162E162-K164 PolarHBondContact O-N 2.83Å
165T57.6Low57Low53 Ų53142 Ų14233%0.32567%0.673SS.*SBendtrans-69.1132.1163.756.30000109.4N163 R169N163-T165 VanDerWaalsContact C-N 3.26Å; T165-R169 HydrophobicContact CG2-CB 4.45Å; T165-R169 HydrophobicContact CG2-CG 4.38Å
166S60.6Low57.9Low79 Ų79141.6 Ų141.655%0.55268%0.676SS**  trans-51.1154179.851.30000112.3Y168 R169S166-Y168 PolarHBondContact O-N 2.93Å; S166-R169 WeakPolarHBondContact O-CB 3.21Å; S166-R169 PolarHBondContact O-N 3.16Å
167S65.1Low58.6Low76 Ų76136.7 Ų136.753%0.53167%0.673SS.*Hα-helixtrans-50.4-35.3-174.873.70000113.3R169 Q170 E171S167-R169 PolarHBondContact O-N 2.88Å; S167-R169 VanDerWaalsContact O-N 3.09Å; S167-Q170 WeakPolarHBondContact O-CA 3.44Å; S167-Q170 WeakPolarHBondContact O-CB 3.31Å; S167-Q170 PolarHBondContact O-N 3.37Å; S167-E171 PolarHBondContact O-N 3.32Å; S167-E171 VanDerWaalsContact O-N 3.08Å; S167-E171 PolarHBondContact OG-OE1 3.03Å
168Y62.8Low59.2Low167 Ų167133.3 Ų133.366%0.65567%0.665SS**Hα-helixtrans-46.2-36.1171-173.3-105.1000115.1S166 Y172S166-Y168 PolarHBondContact O-N 2.93Å; Y168-Y172 WeakPolarHBondContact O-CB 3.32Å; Y168-Y172 PolarHBondContact O-N 3.01Å
169R62.7Low60.4Low179 Ų179134.5 Ų134.568%0.67567%0.668SS**Hα-helixtrans-79.3-23.9176.3-82.5-109.5-177.1138.1-1.3113.8T165 S166 S167T165-R169 HydrophobicContact CG2-CB 4.45Å; T165-R169 HydrophobicContact CG2-CG 4.38Å; S166-R169 WeakPolarHBondContact O-CB 3.21Å; S166-R169 PolarHBondContact O-N 3.16Å; S167-R169 PolarHBondContact O-N 2.88Å; S167-R169 VanDerWaalsContact O-N 3.09Å
170Q69.3Low61.1Low127 Ų127135.4 Ų135.459%0.59368%0.675SS**Hα-helixtrans-81.6-32.3177.7-57.1-178.9700111.1S167S167-Q170 WeakPolarHBondContact O-CA 3.44Å; S167-Q170 WeakPolarHBondContact O-CB 3.31Å; S167-Q170 PolarHBondContact O-N 3.37Å
171E77.9Confident61.8Low144 Ų144135 Ų13567%0.67368%0.683SS**Hα-helixtrans-80.5-28.3177.5-66.1166.2-131.900112.9S167 R173S167-E171 PolarHBondContact O-N 3.32Å; S167-E171 VanDerWaalsContact O-N 3.08Å; S167-E171 PolarHBondContact OG-OE1 3.03Å; E171-R173 PolarHBondContact O-N 3.31Å
172Y72.4Confident62.3Low139 Ų139138.5 Ų138.555%0.54569%0.689SS.*  trans-73.893.6-178.5-166.5-90.3000112.6Y168 P174Y168-Y172 WeakPolarHBondContact O-CB 3.32Å; Y168-Y172 PolarHBondContact O-N 3.01Å; Y172-P174 HydrophobicContact CE1-CB 4.47Å
173R75.9Confident62.9Low209 Ų209135.5 Ų135.579%0.78969%0.685SS**  trans-83124.9162.9-64-167.5179.2-85.4-3.8109.5E171 W175E171-R173 PolarHBondContact O-N 3.31Å; R173-W175 PolarHBondContact O-N 3.09Å
174P70.9Confident62.8Low84 Ų84135.5 Ų135.555%0.54570%0.699SS.*  trans-61.2136.4172.625.9-32.9000109.4Y172 T176Y172-P174 HydrophobicContact CE1-CB 4.47Å; P174-T176 VanDerWaalsContact C-N 3.27Å; P174-T176 HydrophobicContact CG-CG2 4.33Å; P174-T176 PolarHBondContact O-N 2.98Å
175W61.5Low63.4Low220 Ų220136 Ų13683%0.83370%0.695SS**  trans-71.678.5-177.8-69.578.3000111.1R173 G177R173-W175 PolarHBondContact O-N 3.09Å; W175-G177 VanDerWaalsContact C-N 3.28Å; W175-G177 PolarHBondContact O-N 2.98Å
176T65.1Low62.8Low134 Ų134144.2 Ų144.282%0.82272%0.72SS**THydrogen-bonded Turntrans-80.5-1.5-176.5490000114.5P174P174-T176 VanDerWaalsContact C-N 3.27Å; P174-T176 HydrophobicContact CG-CG2 4.33Å; P174-T176 PolarHBondContact O-N 2.98Å
177G61.6Low62.3Low71 Ų71147 Ų14773%0.73273%0.729SS**THydrogen-bonded Turntrans-83-20.5-175.300000115.9W175 K179W175-G177 VanDerWaalsContact C-N 3.28Å; W175-G177 PolarHBondContact O-N 2.98Å; G177-K179 PolarHBondContact O-N 2.75Å; G177-K179 VanDerWaalsContact O-N 3.08Å
178V59.6Low61.5Low121 Ų121149.1 Ų149.173%0.73374%0.741SS**  trans-83.892.1-176.3-170.60000109.9
179K64.5Low60.8Low187 Ų187147.3 Ų147.381%0.81375%0.748SS**PPolyproline II helixtrans-54.8127.7164.5-74.7173.3178164.50108.1G177 A181G177-K179 PolarHBondContact O-N 2.75Å; G177-K179 VanDerWaalsContact O-N 3.08Å; K179-A181 PolarHBondContact O-N 3.22Å
180P58.7Low60.1Low118 Ų118142.4 Ų142.477%0.76675%0.745SS**PPolyproline II helixtrans-50.2131.6170.6-26.534.5000109R182P180-R182 PolarHBondContact O-N 2.84Å
181A55.9Low59.2Low99 Ų99144.6 Ų144.682%0.81876%0.755SS**PPolyproline II helixtrans-50.8122.7179.700000108.1K179 S183K179-A181 PolarHBondContact O-N 3.22Å; A181-S183 PolarHBondContact O-N 3.37Å
182R59.1Low57.2Low243 Ų243148.1 Ų148.192%0.91776%0.764SS**  trans-59.5105.5-179.4-79.7-170.4170.8-164.2-2.5107.2P180 A184P180-R182 PolarHBondContact O-N 2.84Å; R182-A184 PolarHBondContact O-N 3.05Å
183S60.7Low56.1Low89 Ų89146.4 Ų146.462%0.62277%0.772SS**  trans-53.4119.5172.760.50000106.6A181 R185A181-S183 PolarHBondContact O-N 3.37Å; S183-R185 PolarHBondContact O-N 3.4Å
184A51.5Low54.3Low103 Ų103141.2 Ų141.285%0.85177%0.768SS**  trans-72.462176.900000109.9R182 R186R182-A184 PolarHBondContact O-N 3.05Å; A184-R186 PolarHBondContact O-N 3.39Å
185R58.3Low53.3Low213 Ų213142.4 Ų142.480%0.80478%0.776SS**  trans-6390.7154.9-68.5-167.2-162.1-105.77.2105.1S183 N187S183-R185 PolarHBondContact O-N 3.4Å; R185-N187 PolarHBondContact O-N 3.27Å
186R45.3Very low52.4Low227 Ų227139.1 Ų139.186%0.85778%0.78SS**  trans-49.4111.3163.1-171.2-177.9-168.5-141.54.6105.6A184 P188A184-R186 PolarHBondContact O-N 3.39Å; R186-P188 WeakPolarHBondContact O-CD 3.28Å; R186-P188 VanDerWaalsContact O-N 3.14Å
187N49.9Very low51.7Low137 Ų137136.4 Ų136.473%0.73378%0.779SS**PPolyproline II helixtrans-54.2123.2170.4-72.8-30000105.9R185 T189R185-N187 PolarHBondContact O-N 3.27Å; N187-T189 PolarHBondContact O-N 3.08Å
188P47.3Very low50.8Low120 Ų120136.5 Ų136.578%0.77978%0.779SS**PPolyproline II helixtrans-61.1116.1168.426.4-30.8000105.7R186 A190R186-P188 WeakPolarHBondContact O-CD 3.28Å; R186-P188 VanDerWaalsContact O-N 3.14Å; P188-A190 PolarHBondContact O-N 2.74Å; P188-A190 VanDerWaalsContact O-N 3.13Å
189T48.7Very low50.3Low130 Ų130136 Ų13680%0.79879%0.787SS**PPolyproline II helixtrans-53.2124.1-178.6-51.80000108.2N187 Q191N187-T189 PolarHBondContact O-N 3.08Å; T189-Q191 PolarHBondContact O-N 3.11Å
190A48Very low49.6Very low76 Ų76133.1 Ų133.163%0.62879%0.786SS**PPolyproline II helixtrans-58.9130.4177.600000109.4P188P188-A190 PolarHBondContact O-N 2.74Å; P188-A190 VanDerWaalsContact O-N 3.13Å
191Q51.3Low49.2Very low172 Ų172135.5 Ų135.580%0.80479%0.787SS**  trans58.480.6148-57.2167.213.200115.6T189T189-Q191 PolarHBondContact O-N 3.11Å
192Y34.9Very low49.3Very low219 Ų219138 Ų13886%0.85979%0.785SS**  trans-85.695.7141.2-169.3-99.4000108S194Y192-S194 PolarHBondContact O-N 2.78Å
193S48.7Very low49.4Very low102 Ų102129.5 Ų129.571%0.71376%0.761SS**  trans-64.3113.9172.9-60.50000109.4
194S39.7Very low49.4Very low101 Ų101136.9 Ų136.971%0.70678%0.775SS**  trans-96.8136.3168.1-1570000109.5Y192Y192-S194 PolarHBondContact O-N 2.78Å
195P48Very low50.7Low109 Ų109137 Ų13771%0.70876%0.758SS**  trans-81.9136.9-168.9-6.524.6000112.5
196V44.1Very low51.7Low151 Ų151130.4 Ų130.492%0.91574%0.741SS**SBendtrans57102.8151.6-176.40000116.8
197G50.7Low53.3Low77 Ų77125 Ų12579%0.79474%0.738SS**SBendtrans133.187.3153.700000116.1
198G42.3Very low54.4Low72 Ų72126.5 Ų126.574%0.74274%0.735SS**  trans84100164.600000115.1T200G198-T200 PolarHBondContact O-N 3.25Å
199A47.9Very low55.8Low110 Ų110125.4 Ų125.491%0.90972%0.719SS**  trans-78.981.9172.200000111H201A199-H201 PolarHBondContact O-N 3.49Å
200T49.5Very low56.9Low127 Ų127122.5 Ų122.578%0.77971%0.709SS**  trans-69.7113161.321.30000108.8G198 I202G198-T200 PolarHBondContact O-N 3.25Å; T200-I202 PolarHBondContact O-N 3.47Å
201H52.1Low58.3Low169 Ų169122.8 Ų122.878%0.78271%0.711SS**  trans-60.6100.1171.9167.8-80000109.2A199 P203A199-H201 PolarHBondContact O-N 3.49Å; H201-P203 WeakPolarHBondContact O-CD 3.26Å
202I56.7Low58.8Low152 Ų152123.6 Ų123.678%0.77971%0.708SS**  trans-70.7109170.4-58.6174.5000106.7T200T200-I202 PolarHBondContact O-N 3.47Å
203P62.2Low60.4Low63 Ų63116.2 Ų116.241%0.40969%0.688SS.*  trans-67.4150.2179.830-32.2000109.5H201 E205H201-P203 WeakPolarHBondContact O-CD 3.26Å; P203-E205 HydrophobicContact CG-CG 4.14Å; P203-E205 PolarHBondContact O-N 3.38Å
204R60.7Low61.1Low244 Ų244115 Ų11592%0.92169%0.692SS**  trans-79.377.1178.4-165.8-176.2-172.4-169.14.1110
205E77.4Confident62Low106 Ų106118.2 Ų118.250%0.49570%0.696SS.*  trans-61.6136.5-176.5-72.7168.8-152.100112.2P203P203-E205 HydrophobicContact CG-CG 4.14Å; P203-E205 PolarHBondContact O-N 3.38Å
206T80.6Confident62.3Low75 Ų75119.3 Ų119.346%0.4670%0.7SS.*  trans-85.3154.6168.658.30000109.7Y208 Q209 A210T206-Y208 PolarHBondContact O-N 3.36Å; T206-Y208 VanDerWaalsContact O-N 3.12Å; T206-Q209 WeakPolarHBondContact O-CA 3.36Å; T206-Q209 WeakPolarHBondContact O-CB 3.4Å; T206-Q209 PolarHBondContact O-N 3.04Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.44Å; T206-Q209 PolarHBondContact OG1-N 3.14Å; T206-Q209 PolarHBondContact OG1-OE1 3.06Å; T206-A210 PolarHBondContact O-N 3.21Å
207S78.8Confident62.6Low112 Ų112116.9 Ų116.978%0.78369%0.69SS**Hα-helixtrans-56.5-29.817750.90000113.3A211S207-A211 WeakPolarHBondContact O-CB 3.24Å; S207-A211 PolarHBondContact O-N 3.42Å
208Y73.3Confident62.3Low169 Ų169124.8 Ų124.866%0.66370%0.696SS**Hα-helixtrans-68.1-39.8173.1-177.8-100.1000112.8T206 A211 Y212T206-Y208 PolarHBondContact O-N 3.36Å; T206-Y208 VanDerWaalsContact O-N 3.12Å; Y208-A211 PolarHBondContact O-N 2.97Å; Y208-Y212 PolarHBondContact O-N 3.45Å
209Q76.2Confident62.1Low98 Ų98125.3 Ų125.346%0.45869%0.693SS.*Hα-helixtrans-66.5-49.9174-76.4169.5-44.700110.7T206 A211 Y212 S213T206-Q209 WeakPolarHBondContact O-CA 3.36Å; T206-Q209 WeakPolarHBondContact O-CB 3.4Å; T206-Q209 PolarHBondContact O-N 3.04Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.44Å; T206-Q209 PolarHBondContact OG1-N 3.14Å; T206-Q209 PolarHBondContact OG1-OE1 3.06Å; Q209-A211 PolarHBondContact O-N 3.11Å; Q209-Y212 CarbonylContact O-C 3.59Å; Q209-Y212 PolarHBondContact O-N 3.43Å; Q209-S213 WeakPolarHBondContact O-CB 3.42Å; Q209-S213 PolarHBondContact O-N 3.08Å; Q209-S213 PolarHBondContact O-OG 3.32Å
210A72.4Confident61.6Low69 Ų69129.9 Ų129.957%0.5770%0.698SS**Hα-helixtrans-57-24.4178.800000114.2T206T206-A210 PolarHBondContact O-N 3.21Å
211A75.9Confident60.9Low82 Ų82128.4 Ų128.468%0.67869%0.693SS**THydrogen-bonded Turntrans-90.1-12176.700000114.7S207 Y208 Q209S207-A211 WeakPolarHBondContact O-CB 3.24Å; S207-A211 PolarHBondContact O-N 3.42Å; Y208-A211 PolarHBondContact O-N 2.97Å; Q209-A211 PolarHBondContact O-N 3.11Å
212Y62.7Low60.1Low189 Ų189124 Ų12474%0.74169%0.694SS**THydrogen-bonded Turntrans-147.63.4-169.6-144.2-99.7000115.9Y208 Q209 G214Y208-Y212 PolarHBondContact O-N 3.45Å; Q209-Y212 CarbonylContact O-C 3.59Å; Q209-Y212 PolarHBondContact O-N 3.43Å; Y212-G214 PolarHBondContact O-N 3Å
213S69.4Low59.2Low64 Ų64126.6 Ų126.645%0.44870%0.702SS.*  trans-68.9112.4164.745.70000108.5Q209 E215Q209-S213 WeakPolarHBondContact O-CB 3.42Å; Q209-S213 PolarHBondContact O-N 3.08Å; Q209-S213 PolarHBondContact O-OG 3.32Å; S213-E215 PolarHBondContact O-N 3.5Å
214G62Low57.9Low77 Ų77133.4 Ų133.479%0.79473%0.725SS**  trans-71.744.4-179.500000114.3Y212 V216Y212-G214 PolarHBondContact O-N 3Å; G214-V216 PolarHBondContact O-N 3.16Å
215E58.2Low56.7Low167 Ų167126.3 Ų126.378%0.7872%0.719SS**  trans-79.749.3179.4-160.5166.2-167.900112.3S213 S217S213-E215 PolarHBondContact O-N 3.5Å; E215-S217 PolarHBondContact O-N 2.74Å
216V54.8Low54.9Low132 Ų132129.6 Ų129.680%0.873%0.734SS**  trans-88.285.7156176.40000106.8G214G214-V216 PolarHBondContact O-N 3.16Å
217S51.7Low52.9Low100 Ų100134.3 Ų134.370%0.69976%0.756SS**  trans155.687.7148.4-72.90000114E215E215-S217 PolarHBondContact O-N 2.74Å
218R44.5Very low51.1Low244 Ų244136.2 Ų136.292%0.92176%0.755SS**  -174.4165.4121-104.1177.3-73.8-1671.4112.3
219A37.8Very low49.5Very low82 Ų82133.9 Ų133.968%0.67876%0.761SS**  trans79.241.5170.500000119.5S221A219-S221 PolarHBondContact O-N 3.23Å; A219-S221 VanDerWaalsContact O-N 3.15Å
220M36.6Very low48.2Very low206 Ų206134.4 Ų134.4100%1.01577%0.773SS**  trans-75.566.5135.7-80.8-84.5-158.800108.6
221S34.2Very low46.2Very low97 Ų97137 Ų13768%0.67879%0.787SS**  trans-101.494.1-177.355.90000111.5A219A219-S221 PolarHBondContact O-N 3.23Å; A219-S221 VanDerWaalsContact O-N 3.15Å
222G36.9Very low44.2Very low77 Ų77138 Ų13879%0.79480%0.795SS**  trans27.1108.715900000119.8
223Q37.8Very low42.9Very low206 Ų206133.6 Ų133.696%0.96380%0.797SS**  trans-101.9131.3143.8-71.7-121.5-35.900109.1
224K35Very low41.3Very low206 Ų206136.2 Ų136.290%0.89682%0.816SS**  trans-109.8115.5-172169.4-168.3170.6-173.10109.3
225A33.8Very low40Very low94 Ų94140.3 Ų140.378%0.77782%0.82SS**  trans-149.790.615900000105.5
226E39.9Very low39.1Very low175 Ų175139.4 Ų139.482%0.81882%0.819SS**  67.399.292.8-170.6173.9162.100112.5
227L38.6Very low38.1Very low175 Ų175140.9 Ų140.992%0.91682%0.817SS**  trans-166.1119146-100.4162.1000107.4
228I40.7Very low37.6Very low152 Ų152142.1 Ų142.178%0.77982%0.822SS**  trans-108.9140.4176.6-71.7175.3000104.6
229P41.1Very low37Very low119 Ų119137.4 Ų137.477%0.77382%0.815SS**  -153.7-161.87450.8-29.1000114
230P49.5Very low37.4Very low109 Ų109138.9 Ų138.971%0.70882%0.817SS**  -130.4159.7-108.732.6-10.7000115.1
231S30.1Very low37.2Very low124 Ų124133.8 Ų133.887%0.86781%0.808SS**  trans-170.8155.6151.6-96.60000116
232A32.6Very low37.1Very low102 Ų102134 Ų13484%0.84382%0.816SS**  trans63.492.8161.800000117.6
233A36.4Very low37Very low97 Ų97138.8 Ų138.880%0.80282%0.818SS**  trans-75.6149164.200000112.6
234S36.1Very low36.7Very low120 Ų120138.1 Ų138.184%0.83981%0.814SS**  trans-169.876.4157.9-76.50000106.6
235N33Very low36.5Very low162 Ų162134.7 Ų134.787%0.86681%0.806SS**  59.7130.189.5-153.21.7000114
236I39.4Very low37.7Very low149 Ų149135.9 Ų135.976%0.76481%0.805SS**  trans-113.8137.3-159.8-63165.6000110.2
237Q35.4Very low37.2Very low162 Ų162132.6 Ų132.676%0.75781%0.809SS**  trans-163.9146.9140-117.1174.4-2.600112.1
238P39.7Very low36.9Very low126 Ų126129 Ų12982%0.81880%0.804SS**  -134.7154.8109.335-24.2000113.7
239L32Very low36.6Very low145 Ų145129 Ų12976%0.75981%0.811SS**  trans-131149.7175.3-163.866.5000108.8
240P47Very low36.3Very low113 Ų113134.8 Ų134.873%0.73482%0.817SS**  trans-108.7-169.8-159.642.2-37.2000115.1
241A32Very low35.4Very low100 Ų100134.6 Ų134.683%0.82683%0.825SS**  trans86.6126.4162.100000118.6
242A31.5Very low35.4Very low102 Ų102131.6 Ų131.684%0.84381%0.814SS**  -166.8139.2106.300000111.3
243Q36.2Very low35.3Very low176 Ų176132.1 Ų132.182%0.82281%0.811SS**  trans-88.7155.4166-61.5166.5-80.800109.5
244H30.6Very low35.1Very low192 Ų192132.6 Ų132.689%0.88981%0.809SS**  trans-151.3134.5139.4-126.1-82.9000113.7
245N31.3Very low35Very low134 Ų134134.7 Ų134.772%0.71781%0.809SS**  trans-100.8-172.8173.9-94.7-25000108.8
246P58.3Low35.2Very low119 Ų119131.7 Ų131.777%0.77380%0.801SS**  cis-137.2178.5-45.338.5-23.2000112.6
247A28.8Very low35.5Very low107 Ų107130.8 Ų130.888%0.88481%0.805SS**  trans-160.3153.3149.200000111.4
248A32.8Very low35.4Very low98 Ų98127.9 Ų127.981%0.8180%0.803SS**  trans-123.9156-168.200000113.8
249T34.7Very low35.1Very low152 Ų152127.3 Ų127.393%0.93380%0.802SS**  trans-145.9149.2152.3-18.80000113.5
250R34.1Very low35.2Very low241 Ų241129 Ų12991%0.90981%0.811SS**  trans-70167.9-164.1-89.2172.6159.3-179.9-5.2119.4
251A30.9Very low34.7Very low105 Ų105130.7 Ų130.787%0.86881%0.809SS**  trans79.9142.914600000118.3
252G29.8Very low34.8Very low61 Ų61133.4 Ų133.463%0.62980%0.804SS**  cis176.1171.8-5.700000112.6
253S31.8Very low34.9Very low114 Ų114132.6 Ų132.680%0.79779%0.792SS**  trans56114.3165.741.90000118.8
254S32.5Very low34.7Very low106 Ų106132 Ų13274%0.74179%0.793SS**  78.7138.996.7101.20000113.4
255L33.9Very low34.8Very low164 Ų164130.5 Ų130.586%0.85979%0.791SS**  cis-153.6161.323.1-101.4154.1000109.8
256S36.1Very low35.8Very low99 Ų99129 Ų12969%0.69279%0.788SS**  trans-80.2173.8159.9-53.40000111
257P46.7Very low34.4Very low131 Ų131132.4 Ų132.485%0.85179%0.794SS**  -139.9164.79636.8-23.7000115
258S33.2Very low34.5Very low101 Ų101133 Ų13371%0.70679%0.787SS**  trans-99.2169.6176.7-58.10000112.7
259S32.6Very low34.4Very low113 Ų113135.3 Ų135.379%0.7979%0.791SS**  trans64.6126.5148.164.30000120.2
260L33.8Very low34.3Very low181 Ų181135 Ų13595%0.94878%0.779SS**  -141.6157.3127.4-113169.3000109.7
261Q36.6Very low34.5Very low148 Ų148131.7 Ų131.769%0.69277%0.773SS**  trans-138.4167.3-160-152.6-168.434.400109.1
262Q35.9Very low34.6Very low158 Ų158132.5 Ų132.574%0.73877%0.773SS**  trans73.2156.4161.2-58.7169.931.200117.1
263S31.7Very low34.6Very low85 Ų85132.1 Ų132.159%0.59477%0.769SS**  cis-176.7-179.5-25.158.80000111.1
264I32.6Very low34.6Very low164 Ų164133.3 Ų133.384%0.84177%0.772SS**  trans93.2137.1151.8-65.9156.6000121.3
265L33.4Very low34.7Very low160 Ų160134.6 Ų134.684%0.83878%0.775SS**  trans-154.3150.6178.9173.677.3000104.7
266P52.5Low35Very low101 Ų101136.4 Ų136.466%0.65678%0.776SS**  cis-129.4-169.620.332.6-9.9000114.9
267Q28.2Very low34.9Very low191 Ų191142.9 Ų142.989%0.89379%0.785SS**  trans-155.1162.3134.7-119.8170.897.600115
268T30.4Very low34.6Very low120 Ų120145 Ų14574%0.73678%0.784SS**  trans-108.5154.6-163.547.50000113.8
269T31.4Very low34.9Very low146 Ų146148.4 Ų148.490%0.89679%0.788SS**  trans-145.2140.5153.1-52.40000110.6
270E32Very low35.5Very low146 Ų146152.3 Ų152.368%0.68279%0.794SS**  trans-135.8-178.7-173.3-109.4-74.1156.700110.1
271H38.2Very low35.9Very low171 Ų171150.4 Ų150.479%0.79278%0.784SS**  trans77.8145.4172-35.8-45.2000116.3
272S33.4Very low36.5Very low122 Ų122150.6 Ų150.685%0.85380%0.795SS**  cis-174.1158-13.6177.30000106.9
273G30.4Very low37Very low53 Ų53152.1 Ų152.155%0.54679%0.794SS.*  cis161-167.50.500000111
274T31.8Very low38Very low140 Ų140154.4 Ų154.486%0.85980%0.804SS**  trans72.4148.7175.282.60000116.3
275T34.5Very low38.6Very low132 Ų132154.7 Ų154.781%0.8180%0.799SS**  cis-140.4165.18.349.10000113.2
276K39.2Very low39.8Very low202 Ų202155 Ų15588%0.87880%0.801SS**  trans-48141172.4-65.9176.8172-177.10115.6
277R34.6Very low40Very low236 Ų236155.6 Ų155.689%0.89181%0.805SS**  -156.1143.2114.8-116.9-179.8-173.3152.43.7112.1
278E41.1Very low41.4Very low176 Ų176152.5 Ų152.582%0.82280%0.802SS**  trans-92.9125.6178.4169.9-171.7165.400108.4
279E39.2Very low42.1Very low172 Ų172152.5 Ų152.580%0.80480%0.797SS**  trans-160.5107.5168-111.1160.3-122.400109.6L281E279-L281 PolarHBondContact O-N 3.16Å
280H44.5Very low43.3Very low194 Ų194151.1 Ų151.190%0.89879%0.79SS**  trans-71107.9173-93.6-114.7000110.1
281L41.3Very low44.2Very low142 Ų142148.6 Ų148.674%0.74379%0.789SS**  trans-144.2111165.1-147.975.1000112.5E279 R283E279-L281 PolarHBondContact O-N 3.16Å; L281-R283 PolarHBondContact O-N 3.2Å; L281-R283 VanDerWaalsContact O-N 3.12Å
282V49.5Very low45.1Very low152 Ų152144.1 Ų144.192%0.92178%0.781SS**  trans-65.4109.4171.4176.10000108.7
283R46.6Very low45.8Very low190 Ų190143.9 Ų143.972%0.71778%0.775SS**  trans-142.8110.6172.4-155.1168-166.3160.83.1112.7L281 K285L281-R283 PolarHBondContact O-N 3.2Å; L281-R283 VanDerWaalsContact O-N 3.12Å; R283-K285 HydrophobicContact CG-CG 4.46Å; R283-K285 PolarHBondContact O-N 3.41Å
284T53.8Low46.7Very low133 Ų133150.8 Ų150.882%0.81679%0.79SS**  trans-67.2107.9172.338.90000111.1
285K44.2Very low47.4Very low169 Ų169152.5 Ų152.574%0.73579%0.788SS**  trans-144.193.8170.3-71.5-63175.4-179.90111.6R283R283-K285 HydrophobicContact CG-CG 4.46Å; R283-K285 PolarHBondContact O-N 3.41Å
286L58.3Low48.1Very low166 Ų166151.9 Ų151.987%0.86979%0.79SS**PPolyproline II helixtrans-65.4141.4152.6-74.1160.8000108.3
287P57Low48.6Very low115 Ų115145.3 Ų145.375%0.74778%0.779SS**PPolyproline II helixtrans-68.6145.8175.528.9-34.2000110.7N289P287-N289 PolarHBondContact O-N 3.28Å
288P57.3Low49.5Very low126 Ų126139.3 Ų139.382%0.81877%0.773SS**PPolyproline II helixtrans-67.2124.5172.828.4-32.7000109.7P290P288-P290 WeakPolarHBondContact O-CD 3.33Å
289N45.9Very low50.4Low119 Ų119141.1 Ų141.164%0.63677%0.772SS**PPolyproline II helixtrans-66.1121.7174176.94.2000109.8P287 S291P287-N289 PolarHBondContact O-N 3.28Å; N289-S291 PolarHBondContact ND2-OG 2.76Å; N289-S291 PolarHBondContact O-N 3.35Å; N289-S291 VanDerWaalsContact OD1-CB 3.32Å; N289-S291 WeakPolarHBondContact OD1-CB 3.15Å; N289-S291 PolarHBondContact OD1-N 2.74Å; N289-S291 PolarHBondContact OD1-OG 2.88Å
290P55.9Low51Low117 Ų117138.7 Ų138.776%0.7677%0.769SS**SBendtrans-74.4-3.1-17930.6-35.9000114.6P288 A292P288-P290 WeakPolarHBondContact O-CD 3.33Å; P290-A292 VanDerWaalsContact C-N 3.25Å; P290-A292 PolarHBondContact O-N 3.21Å
291S51.6Low51.2Low93 Ų93137.3 Ų137.365%0.6576%0.761SS**  trans-80.323.3-170830000116.3N289N289-S291 PolarHBondContact ND2-OG 2.76Å; N289-S291 PolarHBondContact O-N 3.35Å; N289-S291 VanDerWaalsContact OD1-CB 3.32Å; N289-S291 WeakPolarHBondContact OD1-CB 3.15Å; N289-S291 PolarHBondContact OD1-N 2.74Å; N289-S291 PolarHBondContact OD1-OG 2.88Å
292A56.6Low51.4Low77 Ų77138.1 Ų138.164%0.63677%0.766SS**  trans-13850-173.500000114P290P290-A292 VanDerWaalsContact C-N 3.25Å; P290-A292 PolarHBondContact O-N 3.21Å
293V49.1Very low51.1Low117 Ų117141.9 Ų141.971%0.70978%0.778SS**  trans-98.286165.9-173.50000109.2Q295V293-Q295 HydrophobicContact CG1-CG 4.02Å; V293-Q295 PolarHBondContact O-N 2.98Å
294F48.5Very low51.4Low198 Ų198139.5 Ų139.587%0.86878%0.781SS**  trans-71.796.7164.5-82.8-84.9000108.8S296F294-S296 PolarHBondContact O-N 3.02Å
295Q46.3Very low51.2Low176 Ų176139.8 Ų139.882%0.82278%0.78SS**  trans-68.695.3169.9-66-175.1-2.500109.3V293 G297V293-Q295 HydrophobicContact CG1-CG 4.02Å; V293-Q295 PolarHBondContact O-N 2.98Å; Q295-G297 PolarHBondContact O-N 2.91Å
296S48.7Very low51.6Low120 Ų120138.2 Ų138.284%0.83978%0.782SS**  trans-73.472.8170.961.20000110.4F294 S298F294-S296 PolarHBondContact O-N 3.02Å; S296-S298 PolarHBondContact O-N 2.99Å
297G50Low51.2Low64 Ų64136.5 Ų136.566%0.6678%0.777SS**  trans-67.9114.4172.600000110.6Q295 R299Q295-G297 PolarHBondContact O-N 2.91Å; G297-R299 PolarHBondContact O-N 3.04Å; G297-R299 VanDerWaalsContact O-N 3.11Å
298S53.7Low50.9Low109 Ų109137.9 Ų137.976%0.76278%0.779SS**  trans-61.5110.9174.2-178.20000110.4S296S296-S298 PolarHBondContact O-N 2.99Å
299R59.5Low50.5Low214 Ų214138.7 Ų138.781%0.80878%0.776SS**  trans-91.695.9165.6-71.6-169.6-173.9-144.71108.8G297 F301G297-R299 PolarHBondContact O-N 3.04Å; G297-R299 VanDerWaalsContact O-N 3.11Å; R299-F301 HydrophobicContact CB-CD2 4.46Å; R299-F301 HydrophobicContact CB-CE2 4.23Å; R299-F301 PolarHBondContact O-N 3.42Å
300V52.1Low50.8Low121 Ų121140.1 Ų140.173%0.73379%0.786SS**  trans-67.1112.5163.2-1790000107.5
301F48.6Very low50.4Low166 Ų166141.8 Ų141.873%0.72879%0.788SS**  trans-88.7118163.5-81.5-88.2000108.1R299R299-F301 HydrophobicContact CB-CD2 4.46Å; R299-F301 HydrophobicContact CB-CE2 4.23Å; R299-F301 PolarHBondContact O-N 3.42Å
302N45.8Very low50.3Low159 Ų159145.9 Ų145.985%0.8580%0.8SS**  trans-80.7119.6163.3-100.7-28.9000108.2
303I44.6Very low49.7Very low230 Ų230152.2 Ų152.2100%1.17982%0.815SS**  trans-1510162.36.6173.1000107.7

Retrieved 303 of 303 residues in 447.2 ms (Link to these results)