A0A087Y8I4_POEFO Loading...

Zinc finger AN1-type containing 3

AlphaFold DB , UniProt , Accession A0A087Y8I4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 230 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
1M43.6Very low49.4Very low251 Ų251142.8 Ų142.8100%1.23681%0.806SS**  0123.50-69.9159.2173.600106.6
2G43.1Very low50.8Low74 Ų74139.9 Ų139.976%0.76380%0.802SS**  trans-101.4122.3177.200000109
3D43.3Very low52.1Low145 Ų145141.3 Ų141.378%0.77580%0.804SS**  trans-76.8120.6173.9-177.4-86.1000109.3S5D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.47Å
4T44.9Very low53.2Low140 Ų140136.1 Ų136.186%0.85978%0.778SS**  trans-109.252.7173.259.50000110
5S53.8Low54.6Low94 Ų94129.8 Ų129.866%0.65774%0.744SS**  trans-62.4159.3173.8-175.70000112.4D3D3-S5 WeakPolarHBondContact OD1-CB 3.49Å; D3-S5 PolarHBondContact OD1-N 3.47Å
6E53.2Low56.5Low157 Ų157130.4 Ų130.473%0.73473%0.73SS**  trans-67.2137.5-156-58.6-179.271.900115.1
7R48.3Very low58.4Low228 Ų228122.9 Ų122.986%0.8669%0.689SS**  trans-140.984.9131-158.271.7178.7-110.94.6111K9R7-K9 PolarHBondContact O-N 3.49Å
8S54Low60Low100 Ų100123.3 Ų123.370%0.69970%0.698SS**  trans-6076.5162.6-62.60000109.9A10S8-A10 PolarHBondContact O-N 3.44Å
9K53.3Low61.5Low186 Ų186120.7 Ų120.781%0.80969%0.687SS**  trans-76.279.5178.1-168170.2-172.9175.30107.7R7 S11R7-K9 PolarHBondContact O-N 3.49Å; K9-S11 PolarHBondContact O-N 3.36Å
10A51.1Low62.8Low81 Ų81117 Ų11767%0.66968%0.676SS**  trans-41.7126.5175.900000109.3S8 S12S8-A10 PolarHBondContact O-N 3.44Å; A10-S12 PolarHBondContact O-N 3.43Å
11S55.1Low64.1Low115 Ų115117 Ų11780%0.80467%0.668SS**  trans-66.180.7-178-59.10000109.4K9 L13K9-S11 PolarHBondContact O-N 3.36Å; S11-L13 PolarHBondContact O-N 3.14Å
12S65.6Low66.3Low108 Ų108111.5 Ų111.576%0.75563%0.634SS**  trans-57.3104-174.256.50000108.5A10A10-S12 PolarHBondContact O-N 3.43Å
13L67.8Low68.4Low158 Ų158108.2 Ų108.283%0.82760%0.601SS**PPolyproline II helixtrans-52125.9-173.7-69.8171.4000108.5S11 P15S11-L13 PolarHBondContact O-N 3.14Å; L13-P15 VanDerWaalsContact O-N 3.17Å
14P68.1Low70.5Confident69 Ų69104.7 Ų104.745%0.44859%0.587SS.*PPolyproline II helixtrans-56.6125.2-16819.9-32.6000109.5R16P14-R16 PolarHBondContact O-N 3Å
15P73.6Confident72.4Confident41 Ų41102.7 Ų102.727%0.26658%0.579SS.*PPolyproline II helixtrans-60.3128.5-161.122.6-34.3000110.6L13 G23 N29L13-P15 VanDerWaalsContact O-N 3.17Å; P15-G23 VanDerWaalsContact O-CA 3.3Å; P15-G23 WeakPolarHBondContact O-CA 3.32Å; P15-G23 PolarHBondContact O-N 3.18Å; P15-N29 HydrophobicContact CB-CB 3.85Å; P15-N29 VanDerWaalsContact CB-OD1 3.29Å; P15-N29 WeakPolarHBondContact CB-OD1 3.44Å; P15-N29 HydrophobicContact CG-CB 4.38Å; P15-N29 WeakPolarHBondContact CG-OD1 3.15Å
16R85.2Confident73.9Confident139 Ų139107.9 Ų107.953%0.52559%0.59SS.*BIsolated β-bridgetrans-85.9133-176.9-66.8-65.5-171.4147.4-1.8110.5P14 G20 W22P14-R16 PolarHBondContact O-N 3Å; R16-G20 PolarHBondContact NH1-O 3.33Å; R16-W22 VanDerWaalsContact CZ-CE2 3.47Å
17C89.8Confident75.6Confident3 Ų3101.9 Ų101.92%0.0256%0.564CS.*PPolyproline II helixtrans-67.4147.7165.4-171.30000108.8C19 G20 F21 N29 L30 C31C17-C19 PolarHBondContact O-N 2.89Å; C17-C19 PolarHBondContact SG-SG 3.28Å; C17-G20 PolarHBondContact O-N 2.75Å; C17-F21 VanDerWaalsContact CB-O 3.3Å; C17-F21 WeakPolarHBondContact CB-O 3.41Å; C17-F21 PolarHBondContact N-O 3.48Å; C17-N29 WeakPolarHBondContact CA-O 3.36Å; C17-N29 PolarHBondContact N-O 2.94Å; C17-L30 VanDerWaalsContact SG-CA 3.58Å; C17-C31 HydrophobicContact CB-CB 4.06Å; C17-C31 PolarHBondContact SG-N 3.43Å
18P85.6Confident77.4Confident131 Ų13198 Ų9885%0.85156%0.557SS**THydrogen-bonded Turntrans-55.7-16.2177.2-3037.1000115.7G20P18-G20 VanDerWaalsContact C-N 3.31Å
19C89.6Confident79.1Confident74 Ų7496.7 Ų96.750%0.554%0.542SS..THydrogen-bonded Turntrans-8713.9172.166.80000114.4C17 F21 C31 C34C17-C19 PolarHBondContact O-N 2.89Å; C17-C19 PolarHBondContact SG-SG 3.28Å; C19-F21 PolarHBondContact O-N 2.88Å; C19-F21 VanDerWaalsContact O-N 3.14Å; C19-C31 VanDerWaalsContact SG-SG 3.61Å; C19-C34 VanDerWaalsContact SG-SG 3.63Å
20G87.4Confident80.9Confident45 Ų4589.6 Ų89.646%0.46451%0.513SS..SBendtrans80.8-21.9177.600000115.7R16 C17 P18R16-G20 PolarHBondContact NH1-O 3.33Å; C17-G20 PolarHBondContact O-N 2.75Å; P18-G20 VanDerWaalsContact C-N 3.31Å
21F89.9Confident82.8Confident117 Ų11786.1 Ų86.151%0.51348%0.484SS..SBendtrans-69.8154.6176.7-164.1-90.6000112C17 C19 G23 C31C17-F21 VanDerWaalsContact CB-O 3.3Å; C17-F21 WeakPolarHBondContact CB-O 3.41Å; C17-F21 PolarHBondContact N-O 3.48Å; C19-F21 PolarHBondContact O-N 2.88Å; C19-F21 VanDerWaalsContact O-N 3.14Å; F21-G23 PolarHBondContact O-N 2.92Å; F21-C31 HydrophobicContact CB-CB 4.01Å; F21-C31 HydrophobicContact CD1-CB 3.46Å; F21-C31 VanDerWaalsContact CD1-CB 3.46Å; F21-C31 HydrophobicContact CE1-CB 4.33Å; F21-C31 HydrophobicContact CG-CB 4.1Å
22W89Confident84.4Confident136 Ų13685.1 Ų85.152%0.51548%0.477SS..BIsolated β-bridgetrans-67.1121.5176.7-68.7-85000111.8R16R16-W22 VanDerWaalsContact CZ-CE2 3.47Å
23G88.1Confident85.7Confident6 Ų687.3 Ų87.36%0.06247%0.473CS..  trans-88.4177.2169.600000112.1P15 F21 N29 L30P15-G23 VanDerWaalsContact O-CA 3.3Å; P15-G23 WeakPolarHBondContact O-CA 3.32Å; P15-G23 PolarHBondContact O-N 3.18Å; F21-G23 PolarHBondContact O-N 2.92Å; G23-N29 WeakPolarHBondContact CA-O 3.25Å; G23-L30 WeakPolarHBondContact CA-O 3.39Å
24S86.8Confident86.9Confident70 Ų7081.5 Ų81.549%0.4945%0.445SS..  trans-129.1147.3171.2-69.80000109.8K26 T27 M28 N29S24-K26 PolarHBondContact O-N 3.34Å; S24-T27 PolarHBondContact N-OG1 3.41Å; S24-T27 CarbonylContact O-C 3.46Å; S24-T27 WeakPolarHBondContact O-CA 3.45Å; S24-T27 PolarHBondContact O-N 3.06Å; S24-T27 PolarHBondContact O-OG1 2.7Å; S24-M28 PolarHBondContact O-N 2.69Å; S24-N29 WeakPolarHBondContact O-CA 3.4Å; S24-N29 PolarHBondContact O-N 2.85Å
25S85.9Confident88Confident99 Ų9980.1 Ų80.169%0.69243%0.432SS*.G310 helixtrans-61.1-27.7178.2-48.70000112.4T27 M28S25-T27 VanDerWaalsContact C-N 3.28Å; S25-T27 PolarHBondContact O-N 2.83Å; S25-M28 PolarHBondContact O-N 3.44Å
26K85.1Confident88.9Confident203 Ų20379.7 Ų79.788%0.88343%0.432SS*.G310 helixtrans-68.1-22.2172.4-170.2172.9-178.9179.70113.8S24S24-K26 PolarHBondContact O-N 3.34Å
27T87.7Confident89.2Confident30 Ų3076.2 Ų76.218%0.18442%0.424CS..G310 helixtrans-109.431.8177.852.60000111.5S24 S25 N29 L30 F35S24-T27 PolarHBondContact N-OG1 3.41Å; S24-T27 CarbonylContact O-C 3.46Å; S24-T27 WeakPolarHBondContact O-CA 3.45Å; S24-T27 PolarHBondContact O-N 3.06Å; S24-T27 PolarHBondContact O-OG1 2.7Å; S25-T27 VanDerWaalsContact C-N 3.28Å; S25-T27 PolarHBondContact O-N 2.83Å; T27-N29 PolarHBondContact O-N 3.19Å; T27-N29 VanDerWaalsContact O-N 3.15Å; T27-L30 WeakPolarHBondContact CB-O 3.46Å; T27-L30 WeakPolarHBondContact O-CB 3.43Å; T27-L30 PolarHBondContact O-N 3.43Å; T27-L30 PolarHBondContact OG1-O 2.91Å; T27-F35 HydrophobicContact CG2-CB 4.47Å; T27-F35 HydrophobicContact CG2-CD1 3.76Å; T27-F35 HydrophobicContact CG2-CD2 4.32Å; T27-F35 HydrophobicContact CG2-CE1 3.99Å; T27-F35 HydrophobicContact CG2-CG 3.93Å; T27-F35 HydrophobicContact CG2-CZ 4.37Å; T27-F35 VanDerWaalsContact O-CD2 3.23Å; T27-F35 WeakPolarHBondContact O-CD2 3.39Å
28M87.4Confident89Confident146 Ų14679.2 Ų79.272%0.71944%0.442SS*.THydrogen-bonded Turntrans52.334.7-177.7-53.7-176.9-169.400113.7S24 S25 L30 F35S24-M28 PolarHBondContact O-N 2.69Å; S25-M28 PolarHBondContact O-N 3.44Å; M28-L30 VanDerWaalsContact O-CD1 3.24Å; M28-L30 WeakPolarHBondContact O-CD1 3.48Å; M28-L30 PolarHBondContact O-N 2.83Å; M28-F35 HydrophobicContact CG-CE2 4.34Å
29N89.3Confident88.9Confident73 Ų7378.4 Ų78.439%0.3943%0.427SS..THydrogen-bonded Turntrans67.78.2-175.2-53.3-35.6000115.3P15 C17 G23 S24 T27P15-N29 HydrophobicContact CB-CB 3.85Å; P15-N29 VanDerWaalsContact CB-OD1 3.29Å; P15-N29 WeakPolarHBondContact CB-OD1 3.44Å; P15-N29 HydrophobicContact CG-CB 4.38Å; P15-N29 WeakPolarHBondContact CG-OD1 3.15Å; C17-N29 WeakPolarHBondContact CA-O 3.36Å; C17-N29 PolarHBondContact N-O 2.94Å; G23-N29 WeakPolarHBondContact CA-O 3.25Å; S24-N29 WeakPolarHBondContact O-CA 3.4Å; S24-N29 PolarHBondContact O-N 2.85Å; T27-N29 PolarHBondContact O-N 3.19Å; T27-N29 VanDerWaalsContact O-N 3.15Å
30L90.6Very high88.6Confident37 Ų3782.5 Ų82.519%0.19444%0.436CS..  trans-87.4155.1172.2-79.864.7000111.3C17 G23 T27 M28 C34 F35 V38C17-L30 VanDerWaalsContact SG-CA 3.58Å; G23-L30 WeakPolarHBondContact CA-O 3.39Å; T27-L30 WeakPolarHBondContact CB-O 3.46Å; T27-L30 WeakPolarHBondContact O-CB 3.43Å; T27-L30 PolarHBondContact O-N 3.43Å; T27-L30 PolarHBondContact OG1-O 2.91Å; M28-L30 VanDerWaalsContact O-CD1 3.24Å; M28-L30 WeakPolarHBondContact O-CD1 3.48Å; M28-L30 PolarHBondContact O-N 2.83Å; L30-C34 HydrophobicContact CB-CB 4.4Å; L30-C34 HydrophobicContact CD2-CB 4.15Å; L30-C34 HydrophobicContact CG-CB 4.4Å; L30-F35 HydrophobicContact CB-CB 3.99Å; L30-V38 HydrophobicContact CD2-CB 4.27Å; L30-V38 HydrophobicContact CD2-CG2 3.67Å
31C92.1Very high88.2Confident8 Ų888.1 Ų88.15%0.05445%0.448CS..  trans-73162.2169.272.70000110.8C17 C19 F21 K33 C34 F35C17-C31 HydrophobicContact CB-CB 4.06Å; C17-C31 PolarHBondContact SG-N 3.43Å; C19-C31 VanDerWaalsContact SG-SG 3.61Å; F21-C31 HydrophobicContact CB-CB 4.01Å; F21-C31 HydrophobicContact CD1-CB 3.46Å; F21-C31 VanDerWaalsContact CD1-CB 3.46Å; F21-C31 HydrophobicContact CE1-CB 4.33Å; F21-C31 HydrophobicContact CG-CB 4.1Å; C31-K33 PolarHBondContact O-N 3.09Å; C31-K33 VanDerWaalsContact O-N 3.12Å; C31-C34 PolarHBondContact O-N 3.38Å; C31-C34 PolarHBondContact SG-N 3.08Å; C31-C34 VanDerWaalsContact SG-N 3.42Å; C31-F35 WeakPolarHBondContact O-CB 3.39Å; C31-F35 PolarHBondContact O-N 2.81Å
32S88.6Confident86.9Confident94 Ų9489.3 Ų89.366%0.65746%0.455SS*.Hα-helixtrans-52.3-37.1-178.751.70000114A36S32-A36 WeakPolarHBondContact O-CB 3.31Å; S32-A36 PolarHBondContact O-N 2.76Å
33K91.5Very high85.3Confident154 Ų15487 Ų8767%0.6746%0.457SS*.Hα-helixtrans-70.8-58.5178.3-167.5175.8-178.2-177.90111.9C31 F35 A36 D37C31-K33 PolarHBondContact O-N 3.09Å; C31-K33 VanDerWaalsContact O-N 3.12Å; K33-F35 VanDerWaalsContact C-N 3.26Å; K33-F35 PolarHBondContact O-N 3.45Å; K33-A36 PolarHBondContact O-N 2.95Å; K33-A36 VanDerWaalsContact O-N 3.12Å; K33-D37 VanDerWaalsContact O-CG 3.29Å; K33-D37 PolarHBondContact O-N 3.36Å
34C92.6Very high83.7Confident37 Ų3795.8 Ų95.825%0.2550%0.497CS..Hα-helixtrans-62.8-32.3-179.8-63.60000112.5C19 L30 C31 D37 V38C19-C34 VanDerWaalsContact SG-SG 3.63Å; L30-C34 HydrophobicContact CB-CB 4.4Å; L30-C34 HydrophobicContact CD2-CB 4.15Å; L30-C34 HydrophobicContact CG-CB 4.4Å; C31-C34 PolarHBondContact O-N 3.38Å; C31-C34 PolarHBondContact SG-N 3.08Å; C31-C34 VanDerWaalsContact SG-N 3.42Å; C34-D37 PolarHBondContact O-N 2.94Å; C34-V38 WeakPolarHBondContact O-CG2 3.21Å; C34-V38 PolarHBondContact O-N 3.07Å
35F91.4Very high82Confident39 Ų3999.1 Ų99.117%0.17151%0.509CS..Hα-helixtrans-64.8-44.7174.1-174.9-107.8000111.5T27 M28 L30 C31 K33 D37 V38 Q39T27-F35 HydrophobicContact CG2-CB 4.47Å; T27-F35 HydrophobicContact CG2-CD1 3.76Å; T27-F35 HydrophobicContact CG2-CD2 4.32Å; T27-F35 HydrophobicContact CG2-CE1 3.99Å; T27-F35 HydrophobicContact CG2-CG 3.93Å; T27-F35 HydrophobicContact CG2-CZ 4.37Å; T27-F35 VanDerWaalsContact O-CD2 3.23Å; T27-F35 WeakPolarHBondContact O-CD2 3.39Å; M28-F35 HydrophobicContact CG-CE2 4.34Å; L30-F35 HydrophobicContact CB-CB 3.99Å; C31-F35 WeakPolarHBondContact O-CB 3.39Å; C31-F35 PolarHBondContact O-N 2.81Å; K33-F35 VanDerWaalsContact C-N 3.26Å; K33-F35 PolarHBondContact O-N 3.45Å; F35-D37 VanDerWaalsContact C-N 3.31Å; F35-D37 PolarHBondContact O-N 3.2Å; F35-V38 PolarHBondContact O-N 3.21Å; F35-Q39 HydrophobicContact CD1-CG 4.41Å; F35-Q39 VanDerWaalsContact CE1-CD 3.45Å; F35-Q39 HydrophobicContact CE1-CG 4.12Å; F35-Q39 HydrophobicContact CZ-CG 4.24Å; F35-Q39 WeakPolarHBondContact O-CG 3.49Å; F35-Q39 PolarHBondContact O-N 3.27Å
36A92.5Very high80.3Confident32 Ų32101.9 Ų101.926%0.26452%0.516SS..Hα-helixtrans-64.3-35173.600000112.5S32 K33 Q39 K40S32-A36 WeakPolarHBondContact O-CB 3.31Å; S32-A36 PolarHBondContact O-N 2.76Å; K33-A36 PolarHBondContact O-N 2.95Å; K33-A36 VanDerWaalsContact O-N 3.12Å; A36-Q39 PolarHBondContact O-N 3.33Å; A36-K40 WeakPolarHBondContact O-CD 3.43Å; A36-K40 WeakPolarHBondContact O-CG 3.36Å; A36-K40 PolarHBondContact O-N 3.42Å
37D91.3Very high78.7Confident67 Ų6799.7 Ų99.736%0.35851%0.513SS..Hα-helixtrans-72.7-26.9177.2-62-30.3000112.7K33 C34 F35 K40 K41K33-D37 VanDerWaalsContact O-CG 3.29Å; K33-D37 PolarHBondContact O-N 3.36Å; C34-D37 PolarHBondContact O-N 2.94Å; F35-D37 VanDerWaalsContact C-N 3.31Å; F35-D37 PolarHBondContact O-N 3.2Å; D37-K40 IonicContact OD1-NZ 3.62Å; D37-K41 WeakPolarHBondContact O-CD 3.46Å; D37-K41 WeakPolarHBondContact O-CG 3.34Å
38V85.8Confident76.9Confident66 Ų66102.6 Ų102.640%0.454%0.54SS..Hα-helixtrans-77.4-41.8169.21680000111.5L30 C34 F35 K40 K41 Q42L30-V38 HydrophobicContact CD2-CB 4.27Å; L30-V38 HydrophobicContact CD2-CG2 3.67Å; C34-V38 WeakPolarHBondContact O-CG2 3.21Å; C34-V38 PolarHBondContact O-N 3.07Å; F35-V38 PolarHBondContact O-N 3.21Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 2.97Å; V38-K41 CarbonylContact O-C 3.58Å; V38-K41 WeakPolarHBondContact O-CA 3.29Å; V38-K41 WeakPolarHBondContact O-CB 3.31Å; V38-K41 PolarHBondContact O-N 3.35Å; V38-Q42 PolarHBondContact O-N 3.08Å
39Q84.9Confident74.8Confident114 Ų114101.8 Ų101.853%0.53355%0.549SS..Hα-helixtrans-59.6-42.1175.5-76.3-171.9-47.700111.9F35 A36 K41 Q42F35-Q39 HydrophobicContact CD1-CG 4.41Å; F35-Q39 VanDerWaalsContact CE1-CD 3.45Å; F35-Q39 HydrophobicContact CE1-CG 4.12Å; F35-Q39 HydrophobicContact CZ-CG 4.24Å; F35-Q39 WeakPolarHBondContact O-CG 3.49Å; F35-Q39 PolarHBondContact O-N 3.27Å; A36-Q39 PolarHBondContact O-N 3.33Å; Q39-K41 PolarHBondContact O-N 2.94Å; Q39-Q42 PolarHBondContact O-N 2.91Å
40K83.2Confident72.7Confident160 Ų160107.6 Ų107.670%0.69657%0.571SS**THydrogen-bonded Turntrans-66.1-1.6172.8-66.6165-168.2166.10114.7A36 D37 V38A36-K40 WeakPolarHBondContact O-CD 3.43Å; A36-K40 WeakPolarHBondContact O-CG 3.36Å; A36-K40 PolarHBondContact O-N 3.42Å; D37-K40 IonicContact OD1-NZ 3.62Å; V38-K40 VanDerWaalsContact C-N 3.33Å; V38-K40 PolarHBondContact O-N 2.97Å
41K78.1Confident70.6Confident163 Ų163112 Ų11271%0.70960%0.602SS**THydrogen-bonded Turntrans-117.63.8176-69.3176.1176.6-65.40112.4D37 V38 Q39D37-K41 WeakPolarHBondContact O-CD 3.46Å; D37-K41 WeakPolarHBondContact O-CG 3.34Å; V38-K41 CarbonylContact O-C 3.58Å; V38-K41 WeakPolarHBondContact O-CA 3.29Å; V38-K41 WeakPolarHBondContact O-CB 3.31Å; V38-K41 PolarHBondContact O-N 3.35Å; Q39-K41 PolarHBondContact O-N 2.94Å
42Q63.5Low68.7Low141 Ų141118.5 Ų118.566%0.65963%0.634SS**SBendtrans-99.7108.5164.9-66.5-70.1-90.600106.8V38 Q39V38-Q42 PolarHBondContact O-N 3.08Å; Q39-Q42 PolarHBondContact O-N 2.91Å
43P54Low66.1Low87 Ų87122.9 Ų122.957%0.56564%0.644SS**  trans-64.3154.2166.629.6-34.5000110.2D45P43-D45 VanDerWaalsContact C-N 3.26Å; P43-D45 WeakPolarHBondContact CG-OD2 3.41Å; P43-D45 PolarHBondContact O-N 3.33Å
44E55.1Low63.9Low191 Ų191121 Ų12189%0.89365%0.651SS**  trans-74.27217154.1-109.681.500112.9
45D50.6Low61.9Low141 Ų141125.5 Ų125.575%0.75468%0.679SS**  trans-88129.3168.6-77.7-67000111.3P43P43-D45 VanDerWaalsContact C-N 3.26Å; P43-D45 WeakPolarHBondContact CG-OD2 3.41Å; P43-D45 PolarHBondContact O-N 3.33Å
46D50.5Low59.2Low157 Ų157127 Ų12784%0.8471%0.705SS**  trans-84.9-173.2-164.9-149.9-80.5000114.2
47L52.1Low56.8Low156 Ų156130.9 Ų130.982%0.81773%0.731SS**  trans-78.8134.9-167.1-63.5172.1000114.2
48A50.1Low55Low91 Ų91131.6 Ų131.675%0.75274%0.741SS**  trans56.8101.4145.900000119.6
49S43.5Very low53.3Low129 Ų129137.1 Ų137.190%0.90276%0.763SS**  -164.2156.2120.8-870000113.1
50K44.8Very low51.3Low196 Ų196136.9 Ų136.985%0.85277%0.774SS**  trans-98.7153.5169.4-54.4177.7-177.8176.10108.4
51P47.2Very low49.2Very low129 Ų129133.6 Ų133.684%0.83877%0.77SS**  -140.8-173.986.236.7-20.3000114.6
52I50.7Low47.8Very low144 Ų144130.9 Ų130.974%0.73877%0.767SS**  trans-94.4143.3-170-60.5154.4000111
53Q35.6Very low46.6Very low187 Ų187132.9 Ų132.987%0.87477%0.774SS**  trans-173.3144.1132.4-103.8151.411100114.2
54S44.1Very low46Very low114 Ų114133.6 Ų133.680%0.79778%0.781SS**  trans-117.8135165.1-50.90000108.6
55P50Low45.3Very low131 Ų131129.5 Ų129.585%0.85177%0.774SS**  -135.5175.1121.123-3.7000111
56G36.5Very low44.6Very low70 Ų70128.1 Ų128.172%0.72277%0.766SS**  cis147.292.2-500000113.4
57S41.5Very low44.1Very low115 Ų115126.2 Ų126.280%0.80477%0.765SS**  trans78.4130157.4-150.40000121.5
58S53.8Low43.7Very low81 Ų81123.6 Ų123.657%0.56676%0.76SS**  trans85.4114.7135.3-73.80000124.6
59Q49.3Very low43.6Very low183 Ų183124 Ų12486%0.85576%0.758SS**  73.4148.9130-60.5171.270.400117.8
60S43.3Very low43.6Very low109 Ų109122.7 Ų122.776%0.76275%0.748SS**  cis-151.2177.311.965.80000109.8
61S39.8Very low43.4Very low90 Ų90118.6 Ų118.663%0.62974%0.744SS**  cis-173.8161.2-27.350.70000109.8
62V47.2Very low43.7Very low106 Ų106117 Ų11764%0.64274%0.736SS**  trans61149169.9-58.50000117.6
63F38.3Very low43.2Very low183 Ų183118 Ų11880%0.80374%0.738SS**  cis-130.4143.110.9-47.3-100.2000107.9
64S41.9Very low43.4Very low103 Ų103113.8 Ų113.872%0.7273%0.729SS**  62.2131.156.2-54.40000113.9
65S41.6Very low43.2Very low104 Ų104115.7 Ų115.773%0.72773%0.729SS**  cis-166.7166.9-16.4-112.90000108.3
66D35.1Very low42.8Very low112 Ų112114.4 Ų114.460%0.59972%0.724SS**  cis-119.9-106.62.6-165.666.2000112.6S68D66-S68 PolarHBondContact OD2-N 3.26Å; D66-S68 PolarHBondContact OD2-OG 2.85Å
67S40.4Very low42.6Very low117 Ų117119.1 Ų119.182%0.81873%0.731SS**  cis-141.21213.7-64.80000111.9
68S44Very low42.1Very low102 Ų102118.5 Ų118.571%0.71373%0.727SS**  trans-78.6166.7-178.7-48.90000112.9D66D66-S68 PolarHBondContact OD2-N 3.26Å; D66-S68 PolarHBondContact OD2-OG 2.85Å
69S46.5Very low41.4Very low100 Ų100122.2 Ų122.270%0.69974%0.74SS**  cis-163.6165.75-153.40000112.4
70S43.5Very low41.5Very low101 Ų101119 Ų11971%0.70674%0.735SS**  trans65148139.1-70.70000121.5
71S42Very low41.9Very low109 Ų109119.4 Ų119.476%0.76274%0.735SS**  cis-159.7169.2-8-98.90000111.3
72S53.5Low41.4Very low96 Ų96118.6 Ų118.667%0.67174%0.74SS**  trans-53.6164.1154.8-45.60000111.6
73E39.3Very low40.8Very low166 Ų166119.7 Ų119.778%0.77675%0.753SS**  -147.6146.850.5-44.3-67.610.800109.2
74S40.3Very low40.9Very low98 Ų98120 Ų12069%0.68576%0.757SS**  87.1130.570.5107.70000118.1
75L39.9Very low41.4Very low153 Ų153120 Ų12080%0.80175%0.754SS**  trans76.8107.5154.1-54.8179.3000124.4
76S40.3Very low41.5Very low105 Ų105121.2 Ų121.273%0.73476%0.76SS**  56.3135.6120.6-55.10000126.6
77L33.3Very low41.5Very low168 Ų168121.6 Ų121.688%0.8877%0.772SS**  trans71.2150.5155.3-10971.1000117.2
78S30.8Very low41.4Very low103 Ų103120.6 Ų120.672%0.7277%0.77SS**  cis-151.3179.518.8-57.10000114.3
79L38.3Very low41Very low159 Ų159120.1 Ų120.183%0.83277%0.773SS**  trans-71.8174.8158.7-123.574000111
80P52.8Low40.6Very low115 Ų115123.9 Ų123.975%0.74778%0.779SS**  cis-141.8-131.747.132.9-4000115.4
81P51.4Low40.3Very low117 Ų117123.3 Ų123.376%0.7678%0.775SS**  -133.6170.2-10343.3-26.3000118.1
82G28Very low39.9Very low73 Ų73122.9 Ų122.975%0.75378%0.778SS**  trans95118.3130.800000120.6
83S35.1Very low38.8Very low130 Ų130122.5 Ų122.591%0.90978%0.781SS**  trans-165.5142.4144.5-790000109.3
84E40.3Very low38.9Very low189 Ų189122 Ų12288%0.88378%0.78SS**PPolyproline II helixtrans-102.2167.5-171.8-102.2-151.7105.300114.6
85P52.7Low38.7Very low102 Ų102125.3 Ų125.366%0.66278%0.783SS**PPolyproline II helixtrans-95.6168.6179.339.5-35.5000113.8
86P43.9Very low38.3Very low131 Ų131124.1 Ų124.185%0.85179%0.787SS**PPolyproline II helixtrans-97.9166.7154.935.9-30000112.3
87S35.8Very low38.3Very low120 Ų120124 Ų12484%0.83979%0.787SS**  trans-135.1155.9-162.4-166.60000115.8
88A37.1Very low39Very low96 Ų96126.6 Ų126.679%0.79379%0.785SS**  trans27.3123.6154.400000123.8
89A36.1Very low39.3Very low92 Ų92126.4 Ų126.476%0.7678%0.779SS**  -164.8142.4127.500000107.8
90E38Very low39.2Very low179 Ų179126.7 Ų126.784%0.83678%0.776SS**  59.7127.654.9-83.7-105.669.300113
91S37Very low38.3Very low89 Ų89124.5 Ų124.562%0.62277%0.774SS**  cis-151.8158.59.7-52.70000113.6
92A34.3Very low37.6Very low100 Ų100125.8 Ų125.883%0.82678%0.78SS**  trans52.1148.3138.200000125.5
93A31Very low38Very low88 Ų88128.2 Ų128.273%0.72778%0.78SS**  trans96.8109.7138.300000123.2
94M40.3Very low38Very low154 Ų154127.1 Ų127.176%0.75977%0.772SS**  71.5124.4125.8-59.8-73.493.200123
95F35.9Very low37.9Very low169 Ų169124.3 Ų124.374%0.74177%0.768SS**  trans39131.5144.5-71.9-82.4000122.8
96S31.7Very low37.3Very low127 Ų127127.3 Ų127.389%0.88877%0.774SS**  -149.9132.2129.7-83.10000111.2
97S39.8Very low37.1Very low104 Ų104126.3 Ų126.373%0.72777%0.765SS**  trans-117.3137.4174.8-57.80000109.7
98R47.8Very low37.2Very low222 Ų222125 Ų12584%0.83876%0.761SS**  trans-169.7128164.1-100.1174.480.8-153.93.9105
99T37.1Very low37.5Very low99 Ų99129.2 Ų129.261%0.60777%0.765SS**  54.9132.256900000112.1
100E36.8Very low37.4Very low164 Ų164128 Ų12877%0.76676%0.762SS**  cis-107.7-179.24.2-46.6-54131.100109.7
101G34.4Very low37.7Very low69 Ų69125.3 Ų125.371%0.71176%0.757SS**  cis107.878.210.600000112.6
102V36Very low37.8Very low144 Ų144128.6 Ų128.687%0.87377%0.767SS**  trans-140.2147.7171.2-171.50000110.1
103T36.9Very low37.6Very low124 Ų124129 Ų12976%0.76176%0.763SS**  trans-108.8-166-173.754.40000112.6
104S35.7Very low37.9Very low107 Ų107130.7 Ų130.775%0.74876%0.764SS**  trans86.3119.4178.5-46.80000114.1
105T37.2Very low38.4Very low130 Ų130128.6 Ų128.680%0.79876%0.762SS**  cis95.290.725.5-50.50000114.6
106E40.8Very low38.3Very low165 Ų165127.3 Ų127.377%0.77177%0.768SS**  trans70.9145.4138.4-119.8-161.386.900125.4
107T38.4Very low38.9Very low110 Ų110130 Ų13068%0.67576%0.764SS**  trans39.9120.3150.138.20000124.2
108A39.4Very low39.2Very low92 Ų92135.9 Ų135.976%0.7677%0.77SS**  163.7164.6108.800000112.7
109Q42.2Very low39.1Very low186 Ų186130.6 Ų130.687%0.86976%0.764SS**  cis-164.1165.5-32.6-100.4-178.924.500108.6
110G33.9Very low39.2Very low67 Ų67135 Ų13569%0.69177%0.77SS**  trans136.297176.100000112.8
111T44.5Very low39Very low121 Ų121133.9 Ų133.974%0.74276%0.764SS**  cis72.8126.944.7-35.80000111.6
112L38.8Very low39.4Very low159 Ų159135.8 Ų135.883%0.83277%0.767SS**  cis-97.3-151.97.8-66.7160.2000111.4
113C31.5Very low39.2Very low108 Ų108134.1 Ų134.173%0.7377%0.768SS**  cis-155.2-167.63-152.30000113
114T36.4Very low39Very low123 Ų123133.7 Ų133.776%0.75577%0.771SS**  trans-150.1-169.8-17066.50000110.5
115P50.4Low39.1Very low111 Ų111133.4 Ų133.472%0.72177%0.768SS**  cis-141.2176.7-3.342.3-24.4000117.6
116T34.6Very low39.6Very low141 Ų141133 Ų13387%0.86577%0.768SS**  -161.9160.6128.1-81.10000110.8
117K44.6Very low39.5Very low184 Ų184133.9 Ų133.980%0.877%0.772SS**  trans-61.8148.2-165.2-64.5178.5178.8177.80114.4
118R45Very low39.4Very low228 Ų228134.6 Ų134.686%0.8678%0.782SS**  66.7148.753.2-95.4-161.7-77.2174-9.1114.1
119P46.1Very low39.5Very low110 Ų110139.1 Ų139.171%0.71479%0.787SS**  cis-107.6163.373.822000114.6
120R40.6Very low39.2Very low193 Ų193135 Ų13573%0.72879%0.785SS**  69.4141.777.2-140.7178.2177.9-107.65.5112.2
121E31.8Very low39.7Very low139 Ų139137.9 Ų137.965%0.6579%0.789SS**  cis-143.5143.819.22.3-126.77800108.8
122S41.7Very low39.6Very low110 Ų110137.6 Ų137.677%0.76979%0.79SS**  72.284.555.6-57.70000115.9
123A32.1Very low39.9Very low108 Ų108136.6 Ų136.689%0.89378%0.78SS**  trans-161158.8152.300000114.1
124S34.3Very low40.4Very low116 Ų116141.1 Ų141.181%0.81179%0.788SS**  trans-52.8159.3-172.3-152.40000119.4
125S37.1Very low41.2Very low100 Ų100144.9 Ų144.970%0.69979%0.788SS**  trans-72151147.6-173.80000109.9
126P47Very low40.7Very low122 Ų122145.5 Ų145.579%0.79279%0.792SS**  -142.2-179.510739.4-26.2000114.6
127E39.4Very low40.8Very low183 Ų183150.1 Ų150.186%0.85579%0.794SS**  trans-74.1155-177.1-56166.591.500114.7
128S37Very low40.8Very low126 Ų126146.2 Ų146.288%0.88179%0.785SS**  trans-177.5155.5139.423.60000112
129E40.8Very low40.9Very low187 Ų187144.5 Ų144.587%0.87479%0.787SS**  trans-80.3150.5178.6-63.1-173.689.500113.9
130A36.2Very low41.2Very low99 Ų99147.8 Ų147.882%0.81879%0.793SS**  trans-157.5100153.500000112.1P132A130-P132 WeakPolarHBondContact O-CD 3.37Å
131T43.9Very low41.7Very low127 Ų127147.7 Ų147.778%0.77980%0.798SS**  trans-78.3135.3170.1-61.80000111
132P42.6Very low42.9Very low116 Ų116150.6 Ų150.675%0.75381%0.811SS**  trans-134136.3136.434.8-24000113.1A130 K134A130-P132 WeakPolarHBondContact O-CD 3.37Å; P132-K134 PolarHBondContact O-N 3.16Å
133E45.6Very low42.8Very low137 Ų137148.3 Ų148.364%0.6481%0.805SS**  trans-58.9135.1172.4-93.6-154.692.400111.8R135E133-R135 WeakPolarHBondContact OE1-CG 3.47Å; E133-R135 IonicContact OE1-CZ 3.44Å; E133-R135 IonicContact OE1-NE 3.47Å; E133-R135 PolarHBondContact OE1-NE 3.01Å; E133-R135 IonicContact OE1-NH2 3.99Å; E133-R135 PolarHBondContact OE1-NH2 3.47Å; E133-R135 IonicContact OE2-NE 3.58Å; E133-R135 IonicContact OE2-NH2 2.9Å; E133-R135 PolarHBondContact OE2-NH2 2.88Å
134K42.1Very low43.2Very low203 Ų203151.1 Ų151.188%0.88381%0.805SS**  trans-14399.1152.4-110.9178.1-176.5175.40110.6P132 P136P132-K134 PolarHBondContact O-N 3.16Å; K134-P136 WeakPolarHBondContact O-CD 3.4Å
135R51.5Low43.5Very low202 Ų202149.1 Ų149.176%0.76280%0.803SS**PPolyproline II helixtrans-71136.3171.5-55.2179.2-171.2-171.32.8110.6E133E133-R135 WeakPolarHBondContact OE1-CG 3.47Å; E133-R135 IonicContact OE1-CZ 3.44Å; E133-R135 IonicContact OE1-NE 3.47Å; E133-R135 PolarHBondContact OE1-NE 3.01Å; E133-R135 IonicContact OE1-NH2 3.99Å; E133-R135 PolarHBondContact OE1-NH2 3.47Å; E133-R135 IonicContact OE2-NE 3.58Å; E133-R135 IonicContact OE2-NH2 2.9Å; E133-R135 PolarHBondContact OE2-NH2 2.88Å
136P40.7Very low43.9Very low125 Ų125153.3 Ų153.381%0.81281%0.812SS**PPolyproline II helixtrans-86.5155.7141.8-1532.3000110.3K134K134-P136 WeakPolarHBondContact O-CD 3.4Å
137R37.7Very low44.1Very low237 Ų237154.1 Ų154.189%0.89481%0.805SS**PPolyproline II helixtrans-90.5151.1-177.5179.9177.2176.1177.7-1.8110.8
138T44.2Very low44.7Very low102 Ų102150.8 Ų150.863%0.62680%0.802SS**PPolyproline II helixtrans-46.1133.2173.3-43.80000113.6E140T138-E140 HydrophobicContact CG2-CG 3.81Å
139E46.8Very low45.4Very low193 Ų193154.5 Ų154.590%0.90280%0.796SS**  trans-123.3106.8144.1-73.5-156.9144.300108.5
140E53Low46.3Very low179 Ų179148.4 Ų148.484%0.83678%0.784SS**  trans-77.8123.7164.3-75.2166.9124.600107.8T138T138-E140 HydrophobicContact CG2-CG 3.81Å
141K50.9Low47.8Very low191 Ų191148.3 Ų148.383%0.8377%0.773SS**  trans-131.681.8168.3-169168.6-176.9171.10110.5G143K141-G143 PolarHBondContact O-N 3.46Å
142E57.1Low49.3Very low199 Ų199146.9 Ų146.993%0.9377%0.766SS**  trans-55.1130.1156.4-62.4-160.9115.400108.6
143G39.2Very low51.2Low62 Ų62149.5 Ų149.564%0.63977%0.765SS**  trans-159.535.6-152.600000115.4K141K141-G143 PolarHBondContact O-N 3.46Å
144N39.9Very low53.2Low167 Ų167144.4 Ų144.489%0.89374%0.742SS**  trans36.8100.1160-172.211.3000117.2
145G41.7Very low55.3Low74 Ų74145.2 Ų145.276%0.76375%0.745SS**  trans-164.687.9169.100000110.8
146E44.2Very low57.2Low189 Ų189140 Ų14088%0.88373%0.732SS**  trans-52.1145-177.2-167176.198.900112.8S148E146-S148 VanDerWaalsContact C-N 3.26Å; E146-S148 PolarHBondContact O-N 3.37Å
147E51.4Low59.7Low139 Ų139138.2 Ų138.265%0.6571%0.71SS**  trans-68.770.4-166.4-163.4-163.485.100114.2R149E147-R149 HydrophobicContact CG-CG 4.32Å; E147-R149 PolarHBondContact O-N 2.85Å; E147-R149 WeakPolarHBondContact OE1-CG 3.19Å; E147-R149 IonicContact OE1-CZ 2.7Å; E147-R149 IonicContact OE1-NE 3.74Å; E147-R149 PolarHBondContact OE1-NE 3.4Å; E147-R149 IonicContact OE1-NH2 2.69Å; E147-R149 PolarHBondContact OE1-NH2 3.12Å; E147-R149 IonicContact OE2-NH2 3.15Å
148S52.3Low62.5Low112 Ų112134.8 Ų134.878%0.78370%0.697SS**  trans-63.9101159.2-73.10000108.8E146 G150E146-S148 VanDerWaalsContact C-N 3.26Å; E146-S148 PolarHBondContact O-N 3.37Å; S148-G150 PolarHBondContact O-N 3.3Å
149R51.4Low65Low204 Ų204135.5 Ų135.577%0.7769%0.688SS**  trans-61.779.9175.3-68.2-169.1174.8-132.9-21.8111.3E147 T151E147-R149 HydrophobicContact CG-CG 4.32Å; E147-R149 PolarHBondContact O-N 2.85Å; E147-R149 WeakPolarHBondContact OE1-CG 3.19Å; E147-R149 IonicContact OE1-CZ 2.7Å; E147-R149 IonicContact OE1-NE 3.74Å; E147-R149 PolarHBondContact OE1-NE 3.4Å; E147-R149 IonicContact OE1-NH2 2.69Å; E147-R149 PolarHBondContact OE1-NH2 3.12Å; E147-R149 IonicContact OE2-NH2 3.15Å; R149-T151 PolarHBondContact O-N 2.82Å
150G59.3Low67.3Low59 Ų59126.4 Ų126.461%0.60865%0.646SS**  trans-76.1105.8-164.800000113.1S148S148-G150 PolarHBondContact O-N 3.3Å
151T67.5Low69.4Low97 Ų97123.7 Ų123.760%0.59563%0.628SS**  trans-46.5134.7162.8-41.20000110R149 K153R149-T151 PolarHBondContact O-N 2.82Å; T151-K153 PolarHBondContact O-N 3.48Å
152P75.5Confident71.4Confident97 Ų97119.7 Ų119.763%0.6361%0.608SS**  trans-63.3102.8-170.522.6-34.3000113.2Y181P152-Y181 PolarHBondContact O-OH 3.36Å; P152-Y181 VanDerWaalsContact O-OH 3.09Å
153K83Confident73.3Confident171 Ų171112.6 Ų112.674%0.74358%0.58SS**  trans-72147.5-178.1-64.7173.6-175.5170.60112.4T151 K155T151-K153 PolarHBondContact O-N 3.48Å; K153-K155 PolarHBondContact O-N 2.93Å
154Q88Confident75.9Confident30 Ų30115.2 Ų115.214%0.1458%0.575CS.*  trans-67.6112-177.8-170.6175.7-22.700113.1N156 R159 G180 Y181Q154-N156 VanDerWaalsContact C-N 3.31Å; Q154-N156 PolarHBondContact NE2-O 3.09Å; Q154-N156 PolarHBondContact O-N 2.94Å; Q154-R159 PolarHBondContact NE2-O 2.74Å; Q154-G180 PolarHBondContact N-O 3.35Å; Q154-Y181 HydrophobicContact CB-CD1 3.88Å; Q154-Y181 HydrophobicContact CB-CE1 4.41Å; Q154-Y181 HydrophobicContact CG-CD1 4.4Å
155K86.8Confident78.6Confident221 Ų221110.9 Ų110.996%0.96156%0.555SS**SBendtrans-57.9-35.8-179.9-65-175.6-180-1790114.1K153K153-K155 PolarHBondContact O-N 2.93Å
156N89.8Confident81.3Confident92 Ų92115.4 Ų115.449%0.49255%0.554SS.*  trans-118.793.8179-174-12.4000110.8Q154 R158Q154-N156 VanDerWaalsContact C-N 3.31Å; Q154-N156 PolarHBondContact NE2-O 3.09Å; Q154-N156 PolarHBondContact O-N 2.94Å; N156-R158 VanDerWaalsContact C-N 3.27Å; N156-R158 PolarHBondContact O-N 2.91Å; N156-R158 WeakPolarHBondContact OD1-CB 3.36Å; N156-R158 PolarHBondContact OD1-N 3.2Å
157R94.3Very high83.8Confident88 Ų88107 Ų10733%0.33252%0.515SS..THydrogen-bonded Turntrans-70.2-13.4177.7-68.9-172.767.3-144.6-3.5114.3R159 Q172 E173 V182R157-R159 PolarHBondContact O-N 2.96Å; R157-R159 VanDerWaalsContact O-N 3.08Å; R157-Q172 HydrophobicContact CB-CG 3.95Å; R157-Q172 PolarHBondContact NH2-O 3.19Å; R157-Q172 WeakPolarHBondContact O-CG 3.42Å; R157-Q172 PolarHBondContact O-OE1 2.94Å; R157-E173 IonicContact CZ-OE1 2.75Å; R157-E173 VanDerWaalsContact CZ-OE1 3.29Å; R157-E173 IonicContact CZ-OE2 3.28Å; R157-E173 IonicContact NH1-OE1 3.67Å; R157-E173 PolarHBondContact NH1-OE1 2.93Å; R157-E173 IonicContact NH1-OE2 3.56Å; R157-E173 IonicContact NH2-OE1 2.67Å; R157-E173 PolarHBondContact NH2-OE1 2.89Å; R157-E173 IonicContact NH2-OE2 2.75Å; R157-E173 PolarHBondContact NH2-OE2 3.24Å; R157-V182 HydrophobicContact CB-CG2 3.98Å; R157-V182 HydrophobicContact CG-CG2 3.77Å
158R95.7Very high85.9Confident165 Ų165106.6 Ų106.662%0.62351%0.513SS*.THydrogen-bonded Turntrans-76.59.9-177.3-56.9180178.6-90.98.3114N156 L167N156-R158 VanDerWaalsContact C-N 3.27Å; N156-R158 PolarHBondContact O-N 2.91Å; N156-R158 WeakPolarHBondContact OD1-CB 3.36Å; N156-R158 PolarHBondContact OD1-N 3.2Å; R158-L167 PolarHBondContact O-N 2.67Å
159R96.6Very high87.9Confident117 Ų117107.2 Ų107.244%0.44251%0.507SS..BIsolated β-bridgetrans-142.8141.7-174.2-132.4179.6-161.4-144.8-3.7110.1Q154 R157 Y161 Q164 T165Q154-R159 PolarHBondContact NE2-O 2.74Å; R157-R159 PolarHBondContact O-N 2.96Å; R157-R159 VanDerWaalsContact O-N 3.08Å; R159-Y161 PolarHBondContact O-N 3.47Å; R159-Q164 VanDerWaalsContact CD-O 3.32Å; R159-Q164 WeakPolarHBondContact CD-O 3.09Å; R159-Q164 VanDerWaalsContact CG-O 3.25Å; R159-Q164 WeakPolarHBondContact CG-O 3.41Å; R159-Q164 PolarHBondContact NE-O 3.21Å; R159-Q164 PolarHBondContact NH2-O 3.1Å; R159-T165 CarbonylContact C-O 3.59Å; R159-T165 WeakPolarHBondContact CA-O 3.3Å; R159-T165 WeakPolarHBondContact CG-O 3.32Å
160C96.3Very high90Very high2 Ų2102.3 Ų102.31%0.01450%0.499CS..  trans-63.2129172.8179.40000110.2R162 C163 Q164 T165 L167 V182 C184C160-R162 VanDerWaalsContact C-N 3.33Å; C160-R162 PolarHBondContact O-N 3.25Å; C160-C163 PolarHBondContact SG-SG 2.9Å; C160-Q164 WeakPolarHBondContact O-CA 3.47Å; C160-Q164 PolarHBondContact O-N 2.7Å; C160-T165 PolarHBondContact N-O 2.75Å; C160-L167 HydrophobicContact CB-CD2 4.24Å; C160-V182 CarbonylContact C-O 3.55Å; C160-V182 WeakPolarHBondContact CA-O 3.43Å; C160-C184 HydrophobicContact CB-CB 4.21Å; C160-C184 PolarHBondContact SG-N 2.97Å; C160-C184 VanDerWaalsContact SG-N 3.41Å
161Y95.8Very high91.7Very high121 Ų121101.7 Ų101.748%0.47548%0.481SS..THydrogen-bonded Turntrans-64.6-35.6179-175.2-118000112.8R159 Y181 V182 F183R159-Y161 PolarHBondContact O-N 3.47Å; Y161-Y181 AromaticContact CD1-CD1 3.65Å; Y161-Y181 HydrophobicContact CD1-CD1 3.65Å; Y161-Y181 HydrophobicContact CD1-CD2 4.16Å; Y161-Y181 HydrophobicContact CD1-CE1 4.22Å; Y161-Y181 AromaticContact CD1-CG 3.67Å; Y161-Y181 HydrophobicContact CD1-CG 3.67Å; Y161-Y181 AromaticContact CD2-CD1 3.61Å; Y161-Y181 HydrophobicContact CD2-CD1 3.61Å; Y161-Y181 AromaticContact CD2-CE1 4Å; Y161-Y181 HydrophobicContact CD2-CE1 4Å; Y161-Y181 HydrophobicContact CD2-CG 4.42Å; Y161-Y181 AromaticContact CE1-CD1 3.77Å; Y161-Y181 HydrophobicContact CE1-CD1 3.77Å; Y161-Y181 HydrophobicContact CE1-CD2 4.11Å; Y161-Y181 AromaticContact CE1-CE1 3.85Å; Y161-Y181 HydrophobicContact CE1-CE1 3.85Å; Y161-Y181 HydrophobicContact CE1-CE2 4.14Å; Y161-Y181 AromaticContact CE1-CG 3.96Å; Y161-Y181 HydrophobicContact CE1-CG 3.96Å; Y161-Y181 AromaticContact CE2-CD1 3.74Å; Y161-Y181 HydrophobicContact CE2-CD1 3.74Å; Y161-Y181 AromaticContact CE2-CE1 3.61Å; Y161-Y181 HydrophobicContact CE2-CE1 3.61Å; Y161-Y181 AromaticContact CG-CD1 3.57Å; Y161-Y181 HydrophobicContact CG-CD1 3.57Å; Y161-Y181 HydrophobicContact CG-CE1 4.29Å; Y161-Y181 AromaticContact CG-CG 3.93Å; Y161-Y181 HydrophobicContact CG-CG 3.93Å; Y161-Y181 AromaticContact CZ-CD1 3.82Å; Y161-Y181 AromaticContact CZ-CE1 3.53Å; Y161-Y181 AromaticContact CZ-CZ 3.91Å; Y161-V182 PolarHBondContact N-O 3.42Å; Y161-F183 HydrophobicContact CD1-CE1 4.13Å; Y161-F183 HydrophobicContact CD1-CZ 4.18Å; Y161-F183 HydrophobicContact CG-CE1 4.45Å
162R94.6Very high93.1Very high107 Ų10798.3 Ų98.340%0.40446%0.458SS..THydrogen-bonded Turntrans-79.2-51.9-177.1-176.454.862139.6-4.3113.8C160 F183 H187 H193 D194C160-R162 VanDerWaalsContact C-N 3.33Å; C160-R162 PolarHBondContact O-N 3.25Å; R162-F183 HydrophobicContact CB-CD1 4.1Å; R162-F183 HydrophobicContact CB-CE1 4.08Å; R162-H187 HydrophobicContact CB-CB 4.21Å; R162-H193 PolarHBondContact NH2-O 3.2Å; R162-D194 IonicContact CZ-OD2 3.14Å; R162-D194 IonicContact NH1-OD2 2.9Å; R162-D194 PolarHBondContact NH1-OD2 3.37Å; R162-D194 IonicContact NH2-OD2 2.9Å; R162-D194 PolarHBondContact NH2-OD2 3.17Å
163C95.6Very high94Very high50 Ų5098.3 Ų98.334%0.33845%0.449SS..THydrogen-bonded Turntrans-112.71.7-173.369.10000114.9C160 T165 H187C160-C163 PolarHBondContact SG-SG 2.9Å; C163-T165 PolarHBondContact O-N 3.39Å; C163-T165 PolarHBondContact SG-OG1 2.9Å; C163-H187 VanDerWaalsContact CB-CE1 3.45Å; C163-H187 WeakPolarHBondContact CB-CE1 3.28Å; C163-H187 PolarHBondContact SG-CE1 3.34Å; C163-H187 PolarHBondContact SG-ND1 2.9Å; C163-H187 VanDerWaalsContact SG-ND1 3.36Å
164Q94.7Very high94.6Very high117 Ų11796 Ų9655%0.54744%0.444SS..  trans54.920.4178.7-53.3-162.426.100116.7R159 C160R159-Q164 VanDerWaalsContact CD-O 3.32Å; R159-Q164 WeakPolarHBondContact CD-O 3.09Å; R159-Q164 VanDerWaalsContact CG-O 3.25Å; R159-Q164 WeakPolarHBondContact CG-O 3.41Å; R159-Q164 PolarHBondContact NE-O 3.21Å; R159-Q164 PolarHBondContact NH2-O 3.1Å; C160-Q164 WeakPolarHBondContact O-CA 3.47Å; C160-Q164 PolarHBondContact O-N 2.7Å
165T96.7Very high95Very high76 Ų7694.7 Ų94.747%0.46644%0.44SS..PPolyproline II helixtrans-63.9139.4166.8-45.20000110.2R159 C160 C163R159-T165 CarbonylContact C-O 3.59Å; R159-T165 WeakPolarHBondContact CA-O 3.3Å; R159-T165 WeakPolarHBondContact CG-O 3.32Å; C160-T165 PolarHBondContact N-O 2.75Å; C163-T165 PolarHBondContact O-N 3.39Å; C163-T165 PolarHBondContact SG-OG1 2.9Å
166K97.3Very high95.4Very high170 Ų17087.2 Ų87.274%0.73942%0.415SS*.BIsolated β-bridgetrans-62.8136.3171.8-177.3-176176.9-172.20109.3
167L96.7Very high95.6Very high11 Ų1183.8 Ų83.86%0.05840%0.398CS..PPolyproline II helixtrans-103.7143.3179.2-57.9-179.2000111.1R158 C160 Q171 V182 C184R158-L167 PolarHBondContact O-N 2.67Å; C160-L167 HydrophobicContact CB-CD2 4.24Å; L167-Q171 HydrophobicContact CB-CB 4.22Å; L167-Q171 HydrophobicContact CD2-CB 4.33Å; L167-V182 HydrophobicContact CD1-CB 4.33Å; L167-V182 HydrophobicContact CD1-CG1 3.54Å; L167-C184 HydrophobicContact CD2-CB 3.62Å
168E95.6Very high95.5Very high132 Ų13286 Ų8662%0.61741%0.406SS*.PPolyproline II helixtrans-76.1164.4164.9-62-176.615500111.1V170 Q171 Q172E168-V170 VanDerWaalsContact C-N 3.29Å; E168-V170 PolarHBondContact O-N 3Å; E168-Q171 HydrophobicContact CB-CB 4.45Å; E168-Q171 HydrophobicContact CB-CG 4.23Å; E168-Q171 PolarHBondContact O-N 3.37Å; E168-Q171 VanDerWaalsContact O-N 3.12Å; E168-Q172 WeakPolarHBondContact O-CB 3.41Å; E168-Q172 PolarHBondContact O-N 2.97Å
169L95.3Very high95.4Very high125 Ų12579 Ų7965%0.65438%0.383SS*.Hα-helixtrans-59-40.5-178.3-137.774.9000112.4Q172 E173L169-Q172 PolarHBondContact O-N 3.36Å; L169-E173 PolarHBondContact O-N 2.71Å
170V95.6Very high95.2Very high100 Ų10075.1 Ų75.161%0.60638%0.379SS*.Hα-helixtrans-66.9-42.1176.5179.60000111.2E168 Q172 E173 L174E168-V170 VanDerWaalsContact C-N 3.29Å; E168-V170 PolarHBondContact O-N 3Å; V170-Q172 VanDerWaalsContact C-N 3.32Å; V170-Q172 PolarHBondContact O-N 3.06Å; V170-E173 PolarHBondContact O-N 3.14Å; V170-L174 HydrophobicContact CG1-CD1 3.73Å; V170-L174 HydrophobicContact CG1-CG 4.2Å; V170-L174 WeakPolarHBondContact O-CB 3.19Å; V170-L174 WeakPolarHBondContact O-CG 3.44Å; V170-L174 PolarHBondContact O-N 3.38Å
171Q95.6Very high95.1Very high47 Ų4777.1 Ų77.122%0.2239%0.387CS..Hα-helixtrans-66.8-32.4176.3-65.5-179.7-11.700112.4L167 E168 E173 G175L167-Q171 HydrophobicContact CB-CB 4.22Å; L167-Q171 HydrophobicContact CD2-CB 4.33Å; E168-Q171 HydrophobicContact CB-CB 4.45Å; E168-Q171 HydrophobicContact CB-CG 4.23Å; E168-Q171 PolarHBondContact O-N 3.37Å; E168-Q171 VanDerWaalsContact O-N 3.12Å; Q171-E173 VanDerWaalsContact C-N 3.27Å; Q171-E173 PolarHBondContact O-N 3.16Å; Q171-G175 WeakPolarHBondContact O-CA 3.45Å; Q171-G175 PolarHBondContact O-N 2.84Å
172Q95.6Very high95.2Very high25 Ų2571.5 Ų71.512%0.11737%0.365CS..Hα-helixtrans-65.3-30.3178.9-174.3-178.1-73.500112.8R157 E168 L169 V170 V182R157-Q172 HydrophobicContact CB-CG 3.95Å; R157-Q172 PolarHBondContact NH2-O 3.19Å; R157-Q172 WeakPolarHBondContact O-CG 3.42Å; R157-Q172 PolarHBondContact O-OE1 2.94Å; E168-Q172 WeakPolarHBondContact O-CB 3.41Å; E168-Q172 PolarHBondContact O-N 2.97Å; L169-Q172 PolarHBondContact O-N 3.36Å; V170-Q172 VanDerWaalsContact C-N 3.32Å; V170-Q172 PolarHBondContact O-N 3.06Å; Q172-V182 HydrophobicContact CG-CG1 4.17Å; Q172-V182 WeakPolarHBondContact O-CG1 3.42Å
173E94.8Very high95.3Very high97 Ų9766.4 Ų66.445%0.45335%0.346SS..Hα-helixtrans-91.4-46175.8-57.4-48.5134.800111.7R157 L169 V170 Q171 G175 S176R157-E173 IonicContact CZ-OE1 2.75Å; R157-E173 VanDerWaalsContact CZ-OE1 3.29Å; R157-E173 IonicContact CZ-OE2 3.28Å; R157-E173 IonicContact NH1-OE1 3.67Å; R157-E173 PolarHBondContact NH1-OE1 2.93Å; R157-E173 IonicContact NH1-OE2 3.56Å; R157-E173 IonicContact NH2-OE1 2.67Å; R157-E173 PolarHBondContact NH2-OE1 2.89Å; R157-E173 IonicContact NH2-OE2 2.75Å; R157-E173 PolarHBondContact NH2-OE2 3.24Å; L169-E173 PolarHBondContact O-N 2.71Å; V170-E173 PolarHBondContact O-N 3.14Å; Q171-E173 VanDerWaalsContact C-N 3.27Å; Q171-E173 PolarHBondContact O-N 3.16Å; E173-G175 PolarHBondContact O-N 2.88Å; E173-S176 WeakPolarHBondContact O-CB 3.41Å; E173-S176 PolarHBondContact O-N 2.85Å; E173-S176 VanDerWaalsContact O-N 3.1Å; E173-S176 PolarHBondContact O-OG 3.17Å
174L95.9Very high95.4Very high122 Ų12264.6 Ų64.664%0.63933%0.334SS*.Hα-helixtrans-62.6-27175.3-69.6-179.3000113.9V170V170-L174 HydrophobicContact CG1-CD1 3.73Å; V170-L174 HydrophobicContact CG1-CG 4.2Å; V170-L174 WeakPolarHBondContact O-CB 3.19Å; V170-L174 WeakPolarHBondContact O-CG 3.44Å; V170-L174 PolarHBondContact O-N 3.38Å
175G95.3Very high95.4Very high4 Ų464.6 Ų64.64%0.04134%0.335CS..THydrogen-bonded Turntrans-94.76.3177.300000114.2Q171 E173 C177 V182 F183Q171-G175 WeakPolarHBondContact O-CA 3.45Å; Q171-G175 PolarHBondContact O-N 2.84Å; E173-G175 PolarHBondContact O-N 2.88Å; G175-C177 PolarHBondContact O-N 3.24Å; G175-V182 CarbonylContact O-C 3.45Å; G175-V182 WeakPolarHBondContact O-CA 3.35Å; G175-F183 WeakPolarHBondContact CA-O 3.21Å; G175-F183 PolarHBondContact O-N 3.26Å
176S95.6Very high95.4Very high63 Ų6367.1 Ų67.144%0.44135%0.345SS..BIsolated β-bridgetrans-74.4121.8175.667.50000110.6E173E173-S176 WeakPolarHBondContact O-CB 3.41Å; E173-S176 PolarHBondContact O-N 2.85Å; E173-S176 VanDerWaalsContact O-N 3.1Å; E173-S176 PolarHBondContact O-OG 3.17Å
177C94.8Very high95.4Very high20 Ų2061.1 Ų61.114%0.13532%0.319CS..  trans-103.7150.8-178.4-174.40000111.7G175 C179 G180 Y181 F183 H193 C195G175-C177 PolarHBondContact O-N 3.24Å; C177-C179 PolarHBondContact O-N 2.9Å; C177-G180 PolarHBondContact O-N 3.03Å; C177-Y181 PolarHBondContact N-O 2.86Å; C177-F183 HydrophobicContact CB-CD2 4.01Å; C177-F183 HydrophobicContact CB-CE2 3.81Å; C177-H193 VanDerWaalsContact SG-CE1 3.58Å; C177-H193 PolarHBondContact SG-NE2 3.02Å; C177-C195 VanDerWaalsContact SG-SG 3.61Å
178R91.8Very high95.3Very high134 Ų13467 Ų6751%0.50634%0.341SS..THydrogen-bonded Turntrans-59.9-7.7178.7-71.2-167.4-179.8-161.20.7114.2F197 R202 E206R178-F197 HydrophobicContact CB-CD1 4.04Å; R178-F197 HydrophobicContact CB-CG 4.49Å; R178-R202 PolarHBondContact O-NH2 2.83Å; R178-E206 IonicContact CZ-OE2 3.17Å; R178-E206 IonicContact NH1-OE2 2.67Å; R178-E206 PolarHBondContact NH1-OE2 2.93Å; R178-E206 IonicContact NH2-OE2 3.03Å; R178-E206 PolarHBondContact NH2-OE2 3.43Å
179C93.1Very high95.3Very high20 Ų2064.3 Ų64.314%0.13533%0.33CS..THydrogen-bonded Turntrans-86.4-5.9172.166.90000115.1C177 Y181 F197C177-C179 PolarHBondContact O-N 2.9Å; C179-Y181 HydrophobicContact CB-CD2 4.48Å; C179-F197 HydrophobicContact CB-CB 3.84Å
180G92.3Very high95.3Very high35 Ų3560.5 Ų60.536%0.36131%0.313SS..SBendtrans91.38.1177.700000116.3Q154 C177Q154-G180 PolarHBondContact N-O 3.35Å; C177-G180 PolarHBondContact O-N 3.03Å
181Y95.4Very high95.2Very high43 Ų4363.9 Ų63.917%0.16932%0.322CS..  trans-109.3163174-61.7-70.8000111.3P152 Q154 Y161 C177 C179 F183P152-Y181 PolarHBondContact O-OH 3.36Å; P152-Y181 VanDerWaalsContact O-OH 3.09Å; Q154-Y181 HydrophobicContact CB-CD1 3.88Å; Q154-Y181 HydrophobicContact CB-CE1 4.41Å; Q154-Y181 HydrophobicContact CG-CD1 4.4Å; Y161-Y181 AromaticContact CD1-CD1 3.65Å; Y161-Y181 HydrophobicContact CD1-CD1 3.65Å; Y161-Y181 HydrophobicContact CD1-CD2 4.16Å; Y161-Y181 HydrophobicContact CD1-CE1 4.22Å; Y161-Y181 AromaticContact CD1-CG 3.67Å; Y161-Y181 HydrophobicContact CD1-CG 3.67Å; Y161-Y181 AromaticContact CD2-CD1 3.61Å; Y161-Y181 HydrophobicContact CD2-CD1 3.61Å; Y161-Y181 AromaticContact CD2-CE1 4Å; Y161-Y181 HydrophobicContact CD2-CE1 4Å; Y161-Y181 HydrophobicContact CD2-CG 4.42Å; Y161-Y181 AromaticContact CE1-CD1 3.77Å; Y161-Y181 HydrophobicContact CE1-CD1 3.77Å; Y161-Y181 HydrophobicContact CE1-CD2 4.11Å; Y161-Y181 AromaticContact CE1-CE1 3.85Å; Y161-Y181 HydrophobicContact CE1-CE1 3.85Å; Y161-Y181 HydrophobicContact CE1-CE2 4.14Å; Y161-Y181 AromaticContact CE1-CG 3.96Å; Y161-Y181 HydrophobicContact CE1-CG 3.96Å; Y161-Y181 AromaticContact CE2-CD1 3.74Å; Y161-Y181 HydrophobicContact CE2-CD1 3.74Å; Y161-Y181 AromaticContact CE2-CE1 3.61Å; Y161-Y181 HydrophobicContact CE2-CE1 3.61Å; Y161-Y181 AromaticContact CG-CD1 3.57Å; Y161-Y181 HydrophobicContact CG-CD1 3.57Å; Y161-Y181 HydrophobicContact CG-CE1 4.29Å; Y161-Y181 AromaticContact CG-CG 3.93Å; Y161-Y181 HydrophobicContact CG-CG 3.93Å; Y161-Y181 AromaticContact CZ-CD1 3.82Å; Y161-Y181 AromaticContact CZ-CE1 3.53Å; Y161-Y181 AromaticContact CZ-CZ 3.91Å; C177-Y181 PolarHBondContact N-O 2.86Å; C179-Y181 HydrophobicContact CB-CD2 4.48Å; Y181-F183 HydrophobicContact CG-CZ 4.46Å
182V96.4Very high95.1Very high3 Ų365 Ų652%0.01833%0.327CS..BIsolated β-bridgetrans-124.2137.6-178.5-167.70000110.7R157 C160 Y161 L167 Q172 G175R157-V182 HydrophobicContact CB-CG2 3.98Å; R157-V182 HydrophobicContact CG-CG2 3.77Å; C160-V182 CarbonylContact C-O 3.55Å; C160-V182 WeakPolarHBondContact CA-O 3.43Å; Y161-V182 PolarHBondContact N-O 3.42Å; L167-V182 HydrophobicContact CD1-CB 4.33Å; L167-V182 HydrophobicContact CD1-CG1 3.54Å; Q172-V182 HydrophobicContact CG-CG1 4.17Å; Q172-V182 WeakPolarHBondContact O-CG1 3.42Å; G175-V182 CarbonylContact O-C 3.45Å; G175-V182 WeakPolarHBondContact O-CA 3.35Å
183F97.4Very high95Very high1 Ų164.1 Ų64.10%0.00432%0.324CS..  trans-129.6162.1-170.1-60.1-78.4000112.9Y161 R162 G175 C177 Y181 H187 H193Y161-F183 HydrophobicContact CD1-CE1 4.13Å; Y161-F183 HydrophobicContact CD1-CZ 4.18Å; Y161-F183 HydrophobicContact CG-CE1 4.45Å; R162-F183 HydrophobicContact CB-CD1 4.1Å; R162-F183 HydrophobicContact CB-CE1 4.08Å; G175-F183 WeakPolarHBondContact CA-O 3.21Å; G175-F183 PolarHBondContact O-N 3.26Å; C177-F183 HydrophobicContact CB-CD2 4.01Å; C177-F183 HydrophobicContact CB-CE2 3.81Å; Y181-F183 HydrophobicContact CG-CZ 4.46Å; F183-H187 HydrophobicContact CB-CB 3.99Å; F183-H187 VanDerWaalsContact CB-O 3.31Å; F183-H187 WeakPolarHBondContact CB-O 3.3Å; F183-H187 HydrophobicContact CD1-CB 3.94Å; F183-H187 HydrophobicContact CG-CB 4.31Å; F183-H187 VanDerWaalsContact CG-O 3.29Å; F183-H187 WeakPolarHBondContact CG-O 3.47Å; F183-H193 HydrophobicContact CD1-CB 3.86Å; F183-H193 AromaticContact CD2-CE1 3.88Å; F183-H193 AromaticContact CD2-ND1 3.83Å; F183-H193 HydrophobicContact CE1-CB 3.34Å; F183-H193 AromaticContact CE1-CG 3.62Å; F183-H193 HydrophobicContact CE2-CB 4.32Å; F183-H193 AromaticContact CE2-CD2 3.51Å; F183-H193 AromaticContact CE2-CE1 3.64Å; F183-H193 AromaticContact CE2-CG 3.65Å; F183-H193 AromaticContact CE2-ND1 3.72Å; F183-H193 AromaticContact CE2-NE2 3.49Å; F183-H193 WeakPolarHBondContact CE2-NE2 3.36Å; F183-H193 HydrophobicContact CZ-CB 3.61Å; F183-H193 AromaticContact CZ-CD2 3.31Å; F183-H193 WeakPolarHBondContact CZ-CD2 3.33Å; F183-H193 AromaticContact CZ-CG 3.37Å; F183-H193 AromaticContact CZ-ND1 3.91Å; F183-H193 AromaticContact CZ-NE2 3.83Å
184C97.1Very high94.8Very high12 Ų1264.4 Ų64.48%0.08133%0.328CS..  trans-82.1172.3165.766.10000110.5C160 L167 L186 H187 R188C160-C184 HydrophobicContact CB-CB 4.21Å; C160-C184 PolarHBondContact SG-N 2.97Å; C160-C184 VanDerWaalsContact SG-N 3.41Å; L167-C184 HydrophobicContact CD2-CB 3.62Å; C184-L186 PolarHBondContact O-N 3.42Å; C184-H187 CarbonylContact O-C 3.43Å; C184-H187 PolarHBondContact O-N 2.84Å; C184-H187 PolarHBondContact SG-ND1 3.45Å; C184-R188 PolarHBondContact O-N 2.96Å; C184-R188 VanDerWaalsContact O-N 3.16Å
185M95.4Very high94.7Very high116 Ų11659.8 Ų59.857%0.57131%0.306SS*.THydrogen-bonded Turntrans-58.6-25.1-176.9-57.7-159-58.200114.4
186L96.7Very high94.5Very high130 Ų13067.9 Ų67.968%0.68135%0.347SS*.THydrogen-bonded Turntrans-81.4-10.5177-58.3179000114.1C184 Q192C184-L186 PolarHBondContact O-N 3.42Å; L186-Q192 PolarHBondContact O-NE2 3.3Å; L186-Q192 PolarHBondContact O-OE1 3.12Å
187H96.6Very high94.4Very high43 Ų4367.1 Ų67.120%0.19934%0.336CS..SBendtrans-12712-178.2-59.8105.2000113.2R162 C163 F183 C184 Q192 H193R162-H187 HydrophobicContact CB-CB 4.21Å; C163-H187 VanDerWaalsContact CB-CE1 3.45Å; C163-H187 WeakPolarHBondContact CB-CE1 3.28Å; C163-H187 PolarHBondContact SG-CE1 3.34Å; C163-H187 PolarHBondContact SG-ND1 2.9Å; C163-H187 VanDerWaalsContact SG-ND1 3.36Å; F183-H187 HydrophobicContact CB-CB 3.99Å; F183-H187 VanDerWaalsContact CB-O 3.31Å; F183-H187 WeakPolarHBondContact CB-O 3.3Å; F183-H187 HydrophobicContact CD1-CB 3.94Å; F183-H187 HydrophobicContact CG-CB 4.31Å; F183-H187 VanDerWaalsContact CG-O 3.29Å; F183-H187 WeakPolarHBondContact CG-O 3.47Å; C184-H187 CarbonylContact O-C 3.43Å; C184-H187 PolarHBondContact O-N 2.84Å; C184-H187 PolarHBondContact SG-ND1 3.45Å; H187-Q192 PolarHBondContact CD2-O 3.47Å; H187-H193 PolarHBondContact O-ND1 3.05Å
188R96.3Very high94.3Very high134 Ų13470.7 Ų70.751%0.50635%0.353SS..  trans-74.8-27.4-173.772.2-178.6-179.6174.70.4113.9C184 Q192C184-R188 PolarHBondContact O-N 2.96Å; C184-R188 VanDerWaalsContact O-N 3.16Å; R188-Q192 VanDerWaalsContact N-OE1 3.11Å
189L94.8Very high94.2Very high76 Ų7667.7 Ų67.740%0.39835%0.345SS..SBendtrans-79.6148.1-179-56.9177000110E191 Q192 H193L189-E191 VanDerWaalsContact C-N 3.25Å; L189-E191 PolarHBondContact O-N 2.93Å; L189-Q192 HydrophobicContact CB-CG 3.99Å; L189-Q192 WeakPolarHBondContact O-CB 3.19Å; L189-Q192 PolarHBondContact O-N 3.42Å; L189-H193 PolarHBondContact O-CE1 3.2Å; L189-H193 PolarHBondContact O-ND1 3.12Å
190P94.3Very high94.1Very high46 Ų4673.5 Ų73.530%0.29937%0.374SS..G310 helixtrans-54.9-39.4-175.8-28.637.1000114.2Q192 H193 D194 C195P190-Q192 VanDerWaalsContact C-N 3.26Å; P190-Q192 PolarHBondContact O-N 3.03Å; P190-H193 PolarHBondContact O-N 2.86Å; P190-D194 PolarHBondContact O-N 3.28Å; P190-C195 HydrophobicContact CB-CB 3.66Å; P190-C195 WeakPolarHBondContact O-CB 3.35Å; P190-C195 PolarHBondContact O-N 3.28Å; P190-C195 VanDerWaalsContact O-N 3.08Å
191E93.3Very high94.2Very high170 Ų17072.9 Ų72.979%0.79437%0.368SS*.G310 helixtrans-63.5-27.4177.3-63.1161.1-177.800113.1L189 H193L189-E191 VanDerWaalsContact C-N 3.25Å; L189-E191 PolarHBondContact O-N 2.93Å; E191-H193 VanDerWaalsContact C-N 3.32Å
192Q95.4Very high94.1Very high70 Ų7075.1 Ų75.133%0.32738%0.376SS..G310 helixtrans-86.7-2.6-176.6-57.8170-35.500112.7L186 H187 R188 L189 P190L186-Q192 PolarHBondContact O-NE2 3.3Å; L186-Q192 PolarHBondContact O-OE1 3.12Å; H187-Q192 PolarHBondContact CD2-O 3.47Å; R188-Q192 VanDerWaalsContact N-OE1 3.11Å; L189-Q192 HydrophobicContact CB-CG 3.99Å; L189-Q192 WeakPolarHBondContact O-CB 3.19Å; L189-Q192 PolarHBondContact O-N 3.42Å; P190-Q192 VanDerWaalsContact C-N 3.26Å; P190-Q192 PolarHBondContact O-N 3.03Å
193H92.8Very high93.9Very high8 Ų876.9 Ų76.94%0.03739%0.394CS..THydrogen-bonded Turntrans-143.621.2-179.265.7-102.2000114.9R162 C177 F183 H187 L189 P190 E191 C195R162-H193 PolarHBondContact NH2-O 3.2Å; C177-H193 VanDerWaalsContact SG-CE1 3.58Å; C177-H193 PolarHBondContact SG-NE2 3.02Å; F183-H193 HydrophobicContact CD1-CB 3.86Å; F183-H193 AromaticContact CD2-CE1 3.88Å; F183-H193 AromaticContact CD2-ND1 3.83Å; F183-H193 HydrophobicContact CE1-CB 3.34Å; F183-H193 AromaticContact CE1-CG 3.62Å; F183-H193 HydrophobicContact CE2-CB 4.32Å; F183-H193 AromaticContact CE2-CD2 3.51Å; F183-H193 AromaticContact CE2-CE1 3.64Å; F183-H193 AromaticContact CE2-CG 3.65Å; F183-H193 AromaticContact CE2-ND1 3.72Å; F183-H193 AromaticContact CE2-NE2 3.49Å; F183-H193 WeakPolarHBondContact CE2-NE2 3.36Å; F183-H193 HydrophobicContact CZ-CB 3.61Å; F183-H193 AromaticContact CZ-CD2 3.31Å; F183-H193 WeakPolarHBondContact CZ-CD2 3.33Å; F183-H193 AromaticContact CZ-CG 3.37Å; F183-H193 AromaticContact CZ-ND1 3.91Å; F183-H193 AromaticContact CZ-NE2 3.83Å; H187-H193 PolarHBondContact O-ND1 3.05Å; L189-H193 PolarHBondContact O-CE1 3.2Å; L189-H193 PolarHBondContact O-ND1 3.12Å; P190-H193 PolarHBondContact O-N 2.86Å; E191-H193 VanDerWaalsContact C-N 3.32Å; H193-C195 WeakPolarHBondContact NE2-CB 3.46Å; H193-C195 PolarHBondContact NE2-SG 2.88Å; H193-C195 PolarHBondContact O-N 2.94Å
194D90.6Very high93.8Very high103 Ų10385.8 Ų85.855%0.55143%0.428SS*.THydrogen-bonded Turntrans48.654.8-178.6-46.1-41.9000111.5R162 P190 L196R162-D194 IonicContact CZ-OD2 3.14Å; R162-D194 IonicContact NH1-OD2 2.9Å; R162-D194 PolarHBondContact NH1-OD2 3.37Å; R162-D194 IonicContact NH2-OD2 2.9Å; R162-D194 PolarHBondContact NH2-OD2 3.17Å; P190-D194 PolarHBondContact O-N 3.28Å; D194-L196 PolarHBondContact O-N 3.31Å
195C93.8Very high93.7Very high24 Ų2490.5 Ų90.516%0.16245%0.449CS..  trans-63.7105.8-169.2-161.10000112.3C177 P190 H193 F197C177-C195 VanDerWaalsContact SG-SG 3.61Å; P190-C195 HydrophobicContact CB-CB 3.66Å; P190-C195 WeakPolarHBondContact O-CB 3.35Å; P190-C195 PolarHBondContact O-N 3.28Å; P190-C195 VanDerWaalsContact O-N 3.08Å; H193-C195 WeakPolarHBondContact NE2-CB 3.46Å; H193-C195 PolarHBondContact NE2-SG 2.88Å; H193-C195 PolarHBondContact O-N 2.94Å; C195-F197 PolarHBondContact O-N 3.04Å
196L90.6Very high93.6Very high174 Ų17488.4 Ų88.491%0.91144%0.437SS*.  trans-69.214.2176.4-55-179.3000113.9D194D194-L196 PolarHBondContact O-N 3.31Å
197F92.8Very high93.4Very high48 Ų4884.6 Ų84.621%0.21143%0.425CS..SBendtrans-103.9128.3179.1-179.1-95.4000111.5R178 C179 C195 H199 R202R178-F197 HydrophobicContact CB-CD1 4.04Å; R178-F197 HydrophobicContact CB-CG 4.49Å; C179-F197 HydrophobicContact CB-CB 3.84Å; C195-F197 PolarHBondContact O-N 3.04Å; F197-H199 AromaticContact CD1-CD2 3.99Å; F197-H199 PolarHBondContact O-CD2 2.8Å; F197-H199 PolarHBondContact O-N 3.22Å; F197-R202 HydrophobicContact CE1-CB 4.04Å; F197-R202 HydrophobicContact CE1-CG 4.41Å; F197-R202 VanDerWaalsContact CE2-CZ 3.49Å; F197-R202 HydrophobicContact CZ-CB 3.81Å; F197-R202 HydrophobicContact CZ-CG 3.79Å
198D93.2Very high93.2Very high94 Ų9486.2 Ų86.250%0.50344%0.438SS..  trans-73.886.5-179.8-177.611.3000113.3L200 G201 R202D198-L200 PolarHBondContact O-N 3.28Å; D198-L200 PolarHBondContact OD1-N 2.67Å; D198-G201 PolarHBondContact OD1-N 2.68Å; D198-G201 WeakPolarHBondContact OD2-CA 3.3Å; D198-G201 PolarHBondContact OD2-N 3.31Å; D198-G201 VanDerWaalsContact OD2-N 3.16Å; D198-R202 PolarHBondContact O-N 2.88Å
199H90.1Very high93Very high71 Ų7186.4 Ų86.433%0.32945%0.448SS..Hα-helixtrans-60.9-28.7174.1-74-89.8000113.6F197 G203F197-H199 AromaticContact CD1-CD2 3.99Å; F197-H199 PolarHBondContact O-CD2 2.8Å; F197-H199 PolarHBondContact O-N 3.22Å; H199-G203 PolarHBondContact O-N 3.28Å
200L91.4Very high92.9Very high143 Ų14389.6 Ų89.675%0.74946%0.459SS*.Hα-helixtrans-81-46-177.7-88.164.2000111.1D198 G203 R204D198-L200 PolarHBondContact O-N 3.28Å; D198-L200 PolarHBondContact OD1-N 2.67Å; L200-G203 PolarHBondContact O-N 2.91Å; L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.15Å
201G94.6Very high92.6Very high22 Ų2293.2 Ų93.223%0.22747%0.473CS..Hα-helixtrans-58.8-52.7175.100000111.9D198 G203 R204 E205D198-G201 PolarHBondContact OD1-N 2.68Å; D198-G201 WeakPolarHBondContact OD2-CA 3.3Å; D198-G201 PolarHBondContact OD2-N 3.31Å; D198-G201 VanDerWaalsContact OD2-N 3.16Å; G201-G203 VanDerWaalsContact C-N 3.3Å; G201-G203 PolarHBondContact O-N 2.97Å; G201-R204 PolarHBondContact O-N 2.96Å; G201-E205 WeakPolarHBondContact O-CB 3.33Å; G201-E205 PolarHBondContact O-N 3.28Å
202R92.2Very high92.4Very high90 Ų9091.1 Ų91.134%0.3447%0.472SS..Hα-helixtrans-64.6-32.7174.8-103.3-157-65.3-142.2-5112.8R178 F197 D198 E206R178-R202 PolarHBondContact O-NH2 2.83Å; F197-R202 HydrophobicContact CE1-CB 4.04Å; F197-R202 HydrophobicContact CE1-CG 4.41Å; F197-R202 VanDerWaalsContact CE2-CZ 3.49Å; F197-R202 HydrophobicContact CZ-CB 3.81Å; F197-R202 HydrophobicContact CZ-CG 3.79Å; D198-R202 PolarHBondContact O-N 2.88Å; R202-E206 WeakPolarHBondContact O-CB 3.46Å; R202-E206 PolarHBondContact O-N 3.32Å
203G93.7Very high91.8Very high39 Ų3996.6 Ų96.640%0.40249%0.494SS..Hα-helixtrans-62.6-43.9174.300000112.5H199 L200 G201 A207H199-G203 PolarHBondContact O-N 3.28Å; L200-G203 PolarHBondContact O-N 2.91Å; G201-G203 VanDerWaalsContact C-N 3.3Å; G201-G203 PolarHBondContact O-N 2.97Å; G203-A207 VanDerWaalsContact O-CB 3.28Å; G203-A207 WeakPolarHBondContact O-CB 3.29Å; G203-A207 PolarHBondContact O-N 3.43Å
204R94.4Very high90.8Very high189 Ų189102.7 Ų102.771%0.71353%0.527SS*.Hα-helixtrans-65.9-46.3175-178.7-176-69.5153.2-2.5111.9L200 G201 A207 V208L200-R204 WeakPolarHBondContact O-CB 3.45Å; L200-R204 PolarHBondContact O-N 3.15Å; G201-R204 PolarHBondContact O-N 2.96Å; R204-A207 PolarHBondContact O-N 3.11Å; R204-V208 WeakPolarHBondContact O-CB 3.43Å; R204-V208 VanDerWaalsContact O-CG2 3.3Å; R204-V208 WeakPolarHBondContact O-CG2 3.22Å; R204-V208 PolarHBondContact O-N 3.47Å
205E94.4Very high89.9Confident111 Ų111105 Ų10552%0.51954%0.539SS..Hα-helixtrans-61-50.6177.4-178.2-175.1-154.200111.5G201 A207 V208 L209G201-E205 WeakPolarHBondContact O-CB 3.33Å; G201-E205 PolarHBondContact O-N 3.28Å; E205-A207 VanDerWaalsContact C-N 3.25Å; E205-A207 PolarHBondContact O-N 2.9Å; E205-V208 PolarHBondContact O-N 3.5Å; E205-L209 HydrophobicContact CG-CD1 4.01Å; E205-L209 WeakPolarHBondContact O-CB 3.24Å; E205-L209 WeakPolarHBondContact O-CG 3.49Å; E205-L209 PolarHBondContact O-N 3.44Å
206E93.9Very high88.8Confident71 Ų71112.6 Ų112.633%0.33256%0.564SS.*Hα-helixtrans-60.7-35.9178.6-162.9-174139.800111R178 R202 K210R178-E206 IonicContact CZ-OE2 3.17Å; R178-E206 IonicContact NH1-OE2 2.67Å; R178-E206 PolarHBondContact NH1-OE2 2.93Å; R178-E206 IonicContact NH2-OE2 3.03Å; R178-E206 PolarHBondContact NH2-OE2 3.43Å; R202-E206 WeakPolarHBondContact O-CB 3.46Å; R202-E206 PolarHBondContact O-N 3.32Å; E206-K210 HydrophobicContact CG-CD 4.33Å; E206-K210 WeakPolarHBondContact O-CB 3.23Å; E206-K210 WeakPolarHBondContact O-CD 3.4Å; E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 2.89Å; E206-K210 IonicContact OE1-NZ 3.29Å; E206-K210 PolarHBondContact OE1-NZ 3.23Å
207A92.6Very high87.7Confident50 Ų50114.1 Ų114.141%0.41356%0.563SS.*Hα-helixtrans-68.9-47.317300000112.8G203 R204 E205 L209 K210 M211G203-A207 VanDerWaalsContact O-CB 3.28Å; G203-A207 WeakPolarHBondContact O-CB 3.29Å; G203-A207 PolarHBondContact O-N 3.43Å; R204-A207 PolarHBondContact O-N 3.11Å; E205-A207 VanDerWaalsContact C-N 3.25Å; E205-A207 PolarHBondContact O-N 2.9Å; A207-L209 PolarHBondContact O-N 3.17Å; A207-K210 CarbonylContact O-C 3.58Å; A207-K210 PolarHBondContact O-N 3Å; A207-K210 VanDerWaalsContact O-N 3.11Å; A207-M211 WeakPolarHBondContact O-CG 2.97Å; A207-M211 PolarHBondContact O-N 2.7Å
208V92.9Very high86.3Confident78 Ų78116.4 Ų116.447%0.47358%0.581SS.*Hα-helixtrans-62.5-40.41791670000111.7R204 E205 K210 M211R204-V208 WeakPolarHBondContact O-CB 3.43Å; R204-V208 VanDerWaalsContact O-CG2 3.3Å; R204-V208 WeakPolarHBondContact O-CG2 3.22Å; R204-V208 PolarHBondContact O-N 3.47Å; E205-V208 PolarHBondContact O-N 3.5Å; V208-K210 VanDerWaalsContact C-N 3.28Å; V208-K210 PolarHBondContact O-N 2.98Å; V208-M211 HydrophobicContact CG2-CE 4.16Å; V208-M211 WeakPolarHBondContact O-CB 3.48Å; V208-M211 PolarHBondContact O-N 2.85Å
209L91.5Very high84.7Confident137 Ų137114.2 Ų114.272%0.71758%0.581SS**Hα-helixtrans-66.6-29.2174.6-69.6172.6000112.7E205 A207E205-L209 HydrophobicContact CG-CD1 4.01Å; E205-L209 WeakPolarHBondContact O-CB 3.24Å; E205-L209 WeakPolarHBondContact O-CG 3.49Å; E205-L209 PolarHBondContact O-N 3.44Å; A207-L209 PolarHBondContact O-N 3.17Å
210K93.1Very high83.3Confident144 Ų144122.8 Ų122.863%0.62661%0.61SS**Hα-helixtrans-88.9-4.1175.9-71.7172.2179.7175.60113.9E206 A207 V208 V212E206-K210 HydrophobicContact CG-CD 4.33Å; E206-K210 WeakPolarHBondContact O-CB 3.23Å; E206-K210 WeakPolarHBondContact O-CD 3.4Å; E206-K210 WeakPolarHBondContact O-CG 3.48Å; E206-K210 PolarHBondContact O-N 2.89Å; E206-K210 IonicContact OE1-NZ 3.29Å; E206-K210 PolarHBondContact OE1-NZ 3.23Å; A207-K210 CarbonylContact O-C 3.58Å; A207-K210 PolarHBondContact O-N 3Å; A207-K210 VanDerWaalsContact O-N 3.11Å; V208-K210 VanDerWaalsContact C-N 3.28Å; V208-K210 PolarHBondContact O-N 2.98Å; K210-V212 PolarHBondContact O-N 2.85Å
211M88.3Confident82Confident122 Ų122120.9 Ų120.960%0.60161%0.609SS**SBendtrans-63.5128.2173.1-71.5-175.8-178.100109.4A207 V208 K213A207-M211 WeakPolarHBondContact O-CG 2.97Å; A207-M211 PolarHBondContact O-N 2.7Å; V208-M211 HydrophobicContact CG2-CE 4.16Å; V208-M211 WeakPolarHBondContact O-CB 3.48Å; V208-M211 PolarHBondContact O-N 2.85Å; M211-K213 VanDerWaalsContact C-N 3.34Å; M211-K213 PolarHBondContact O-N 2.71Å
212V88.6Confident80.2Confident126 Ų126125.4 Ų125.476%0.76464%0.635SS**  trans-65.496.8173.41800000108.1K210 L214K210-V212 PolarHBondContact O-N 2.85Å; V212-L214 HydrophobicContact CG1-CD2 4.42Å; V212-L214 PolarHBondContact O-N 2.77Å
213K82.1Confident78.6Confident184 Ų184129.1 Ų129.180%0.866%0.657SS**  trans-60.9106.4168.4-70.7-178.5-179.6177.40107.5M211 D215M211-K213 VanDerWaalsContact C-N 3.34Å; M211-K213 PolarHBondContact O-N 2.71Å; K213-D215 PolarHBondContact O-N 2.79Å
214L72.9Confident77Confident137 Ų137138.4 Ų138.472%0.71768%0.679SS**  trans-70.181.6166.5-68.7-179.3000107.9V212 R216V212-L214 HydrophobicContact CG1-CD2 4.42Å; V212-L214 PolarHBondContact O-N 2.77Å; L214-R216 PolarHBondContact O-N 2.84Å
215D70.6Confident75.5Confident150 Ų150137.9 Ų137.980%0.80269%0.689SS**  trans-71.274.4169.7-154.1-51.4000108.8K213K213-D215 PolarHBondContact O-N 2.79Å
216R71.5Confident73.9Confident184 Ų184135.8 Ų135.869%0.69470%0.698SS**  trans-119.2112176.2-71.6-176.567.7176.2-0.4107.2L214 V218L214-R216 PolarHBondContact O-N 2.84Å; R216-V218 HydrophobicContact CB-CG2 4.04Å; R216-V218 PolarHBondContact O-N 2.75Å
217K66.9Low72.5Confident206 Ų206141.6 Ų141.690%0.89673%0.725SS**  trans-60.582.9148.5-73.7166.1-179.3165.80107.6G219K217-G219 PolarHBondContact O-N 3.06Å
218V63Low71.1Confident97 Ų97148.5 Ų148.559%0.58875%0.749SS**  trans-63.3107.5167.31780000105.7R216R216-V218 HydrophobicContact CB-CG2 4.04Å; R216-V218 PolarHBondContact O-N 2.75Å
219G60.8Low69.1Low48 Ų48151.2 Ų151.250%0.49577%0.769SS.*  trans-57.8160.9173.800000110.7K217 S221K217-G219 PolarHBondContact O-N 3.06Å; G219-S221 PolarHBondContact O-N 2.94Å
220R59.4Low67.9Low251 Ų251154.3 Ų154.395%0.94780%0.802SS**SBendtrans-70.228.1-172.7-56.6-178.3-177175.40.3114.7
221S64.9Low66.6Low102 Ų102154.8 Ų154.871%0.71381%0.811SS**  trans-92.26.6-171.962.70000114.7G219 Q223G219-S221 PolarHBondContact O-N 2.94Å; S221-Q223 PolarHBondContact O-N 3.3Å
222C55.5Low65.5Low117 Ų117156.5 Ų156.579%0.79182%0.822SS**  trans-80.648.7169.7-64.90000111.8
223Q59.9Low64.2Low168 Ų168158.2 Ų158.279%0.78583%0.825SS**  trans-82.4132.4168.5-75.4177.7-32.900109.1S221 I225S221-Q223 PolarHBondContact O-N 3.3Å; Q223-I225 PolarHBondContact O-N 3.04Å
224R59Low63.1Low234 Ų234156.7 Ų156.788%0.88383%0.827SS**  trans-78.5107.6-177.8-178.7-172.4-65.8144.6-2.3109G226R224-G226 PolarHBondContact O-N 3.18Å
225I62.8Low62.5Low178 Ų178157.9 Ų157.991%0.91383%0.834SS**SBendtrans-68.2110.7168-54172.9000107.1Q223Q223-I225 PolarHBondContact O-N 3.04Å
226G61.6Low62Low68 Ų68158.5 Ų158.570%0.70184%0.836SS**  trans164.527.1-17700000116.2R224R224-G226 PolarHBondContact O-N 3.18Å
227E64.2Low61.3Low193 Ų193156.6 Ų156.690%0.90285%0.846SS**  trans-143.549179.4-156.8171.6162.200111.6
228E63.2Low60.9Low195 Ų195152.8 Ų152.891%0.91184%0.842SS**  trans-144.591165.7-149.9177.2133.100110
229C52.2Low60.7Low135 Ų135157.5 Ų157.591%0.91286%0.863SS**  trans-157.197167.6-112.60000107.7
230S64.8Low60.7Low201 Ų201167.5 Ų167.5100%1.40690%0.897SS**  trans-146.80176.5-670000109.3

Retrieved 230 of 230 residues in 306.3 ms (Link to these results)