A0A060D242_MAIZE Loading...

MYB-related transcription factor

AlphaFold DB (K7VAA0), UniProt , Accession A0A060D242, Species MAIZE (Zea mays, Maize), Gene MYBR18, Length 134 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
1M42.8Very low46Very low218 Ų218141.5 Ų141.5100%1.07483%0.825SS**  0114.50-53.974.6172.100107.8
2E52.1Low46.1Very low152 Ų152139.3 Ų139.371%0.7182%0.823SS**  cis-159.5137.9-13.9-120.7137.8106.100110
3N44.8Very low46.3Very low141 Ų141137.9 Ų137.975%0.75483%0.825SS**  trans45.388.6155.8-53.9-24.4000118.7E5N3-E5 PolarHBondContact O-N 3.09Å
4C41.8Very low46.3Very low144 Ų144133.7 Ų133.797%0.97383%0.825SS**  trans-72.172.5158.9-67.40000111.7
5E38.9Very low46.5Very low150 Ų150131.6 Ų131.670%0.70183%0.826SS**  trans-132.5111.5169.6-86.1-144.483.300112.9N3N3-E5 PolarHBondContact O-N 3.09Å
6V53.4Low46.7Very low135 Ų135132.9 Ų132.982%0.81883%0.825SS**  trans-134.463.6149.6-76.90000108.4F8V6-F8 PolarHBondContact O-N 2.93Å
7L48.3Very low46.8Very low139 Ų139130.8 Ų130.873%0.72882%0.823SS**  trans-56.2124.1171.5-169.474.9000109.1P9L7-P9 VanDerWaalsContact O-CD 3.22Å; L7-P9 WeakPolarHBondContact O-CD 3.22Å
8F48.3Very low47Very low197 Ų197132.8 Ų132.886%0.86482%0.819SS**  trans-77113.1170.7-74.2-84.5000108.7V6 G10V6-F8 PolarHBondContact O-N 2.93Å; F8-G10 PolarHBondContact O-N 3.37Å
9P55.2Low47.2Very low115 Ų115133.1 Ų133.175%0.74782%0.82SS**  trans-73.4116.8-178.629.4-33.8000110.6L7 G11L7-P9 VanDerWaalsContact O-CD 3.22Å; L7-P9 WeakPolarHBondContact O-CD 3.22Å; P9-G11 PolarHBondContact O-N 2.89Å; P9-G11 VanDerWaalsContact O-N 3.1Å
10G37.2Very low47.7Very low93 Ų93137.2 Ų137.296%0.95982%0.82SS**  trans-72.493.5162.400000109.7F8F8-G10 PolarHBondContact O-N 3.37Å
11G42.8Very low48Very low73 Ų73136.4 Ų136.475%0.75382%0.818SS**  trans-122128.8178.500000111.7P9P9-G11 PolarHBondContact O-N 2.89Å; P9-G11 VanDerWaalsContact O-N 3.1Å
12S47.8Very low48.3Very low114 Ų114132.8 Ų132.880%0.79780%0.798SS**  trans-100.7159178.5-164.70000111.8
13S48Very low48.5Very low122 Ų122129.9 Ų129.985%0.85379%0.785SS**  trans56.3109.2171-65.80000117.8
14G47.1Very low48.8Very low79 Ų79129 Ų12981%0.81478%0.776SS**  trans-170.499.2167.400000111.2
15A49.1Very low49.2Very low102 Ų102132.2 Ų132.284%0.84377%0.768SS**  trans-82.6122.2-174.100000112.2
16N50.1Low49.9Very low153 Ų153132.1 Ų132.182%0.81877%0.765SS**  trans-158.9116.3153.6-120.3-51.3000110.5F18N16-F18 PolarHBondContact O-N 3.49Å
17A47.6Very low49.7Very low96 Ų96137.6 Ų137.679%0.79377%0.771SS**  trans-103.773.7-161.400000113.2
18F50.9Low50.1Low168 Ų168134.5 Ų134.574%0.73777%0.773SS**  trans-132.8121.2175.2-73.1-79.5000114.6N16N16-F18 PolarHBondContact O-N 3.49Å
19T49.9Very low50.8Low138 Ų138130 Ų13085%0.84776%0.755SS**SBendtrans58.755.1150.363.50000119
20R57.2Low51.8Low215 Ų215129.5 Ų129.581%0.81175%0.751SS**  trans-136.7132.1161.6-62.5-176.4125.9-94.41.5110.5E22R20-E22 PolarHBondContact O-N 3.3Å
21P54Low53.7Low121 Ų121128.7 Ų128.779%0.78672%0.72SS**  trans-63.5136.2171.727-33000109.5Q23P21-Q23 VanDerWaalsContact C-N 3.26Å; P21-Q23 PolarHBondContact O-N 2.58Å
22E49.5Very low55.8Low141 Ų141127.8 Ų127.866%0.65970%0.699SS**  trans-69.685.4176.4-172.579.675.500109R20 E24 R25R20-E22 PolarHBondContact O-N 3.3Å; E22-E24 PolarHBondContact O-N 3.4Å; E22-R25 IonicContact OE2-CZ 3.9Å; E22-R25 IonicContact OE2-NH1 2.73Å; E22-R25 PolarHBondContact OE2-NH1 3.09Å
23Q56Low57.5Low92 Ų92129.3 Ų129.343%0.4369%0.694SS.*  trans-69.987.7171-171173.56.100107.4P21 R25 T61P21-Q23 VanDerWaalsContact C-N 3.26Å; P21-Q23 PolarHBondContact O-N 2.58Å; Q23-R25 PolarHBondContact O-N 2.81Å; Q23-T61 PolarHBondContact NE2-O 2.93Å
24E52.2Low59.3Low123 Ų123130.1 Ų130.158%0.57568%0.684SS**  trans-39.7127.1-170.9-72.2-170.785.200112E22 K26E22-E24 PolarHBondContact O-N 3.4Å; E24-K26 HydrophobicContact CB-CD 4.28Å; E24-K26 HydrophobicContact CB-CG 4.36Å; E24-K26 PolarHBondContact O-N 2.86Å; E24-K26 WeakPolarHBondContact OE1-CE 3.01Å; E24-K26 IonicContact OE1-NZ 2.74Å; E24-K26 PolarHBondContact OE1-NZ 3.42Å; E24-K26 IonicContact OE2-NZ 2.76Å; E24-K26 PolarHBondContact OE2-NZ 3.33Å
25R50.7Low61.3Low210 Ų210126.8 Ų126.879%0.79265%0.647SS**  trans-74.441.5-175.9-64.7177.9177.875.8-6.3113.2E22 Q23E22-R25 IonicContact OE2-CZ 3.9Å; E22-R25 IonicContact OE2-NH1 2.73Å; E22-R25 PolarHBondContact OE2-NH1 3.09Å; Q23-R25 PolarHBondContact O-N 2.81Å
26K53.4Low63.1Low148 Ų148124.6 Ų124.664%0.64362%0.62SS**  trans-67.5132.6171-73168.6179161.70108.6E24 G28E24-K26 HydrophobicContact CB-CD 4.28Å; E24-K26 HydrophobicContact CB-CG 4.36Å; E24-K26 PolarHBondContact O-N 2.86Å; E24-K26 WeakPolarHBondContact OE1-CE 3.01Å; E24-K26 IonicContact OE1-NZ 2.74Å; E24-K26 PolarHBondContact OE1-NZ 3.42Å; E24-K26 IonicContact OE2-NZ 2.76Å; E24-K26 PolarHBondContact OE2-NZ 3.33Å; K26-G28 PolarHBondContact O-N 3.13Å
27R48.9Very low65Low250 Ų250123.5 Ų123.594%0.94361%0.608SS**SBendtrans-70112.6-158.5-62.7178.1-178.6-178.3-0.4112.1Q29R27-Q29 PolarHBondContact O-N 3.33Å
28G55.8Low67Low75 Ų75121.7 Ų121.777%0.77358%0.584SS**  trans59.347.7152.600000117.2K26K26-G28 PolarHBondContact O-N 3.13Å
29Q62.8Low68.9Low103 Ų103113.7 Ų113.748%0.48155%0.549SS..  trans-51.4122.7172.4-174.8179.7-48.700110.4R27 E35 R62R27-Q29 PolarHBondContact O-N 3.33Å; Q29-E35 PolarHBondContact NE2-OE1 2.85Å; Q29-E35 PolarHBondContact NE2-OE2 2.79Å; Q29-R62 PolarHBondContact O-NH1 3.44Å; Q29-R62 PolarHBondContact O-NH2 2.74Å
30P76.4Confident70.8Confident103 Ų103110 Ų11067%0.66952%0.524SS*.  trans-65.2158.6173.729.1-35.2000110.2T32 R62P30-T32 PolarHBondContact O-N 3.14Å; P30-T32 VanDerWaalsContact O-N 3.1Å; P30-R62 PolarHBondContact O-NH2 2.6Å
31W77.5Confident72.4Confident77 Ų77103.7 Ų103.729%0.29251%0.506SS..  trans-64.6112.5174.1-79.890.6000109.6E35 V59 R62 Q66 V67 H70W31-E35 HydrophobicContact CE3-CB 4Å; W31-E35 HydrophobicContact CZ3-CB 4.34Å; W31-V59 HydrophobicContact CH2-CG1 4.49Å; W31-V59 HydrophobicContact CZ3-CG1 4.03Å; W31-R62 HydrophobicContact CH2-CB 4.05Å; W31-R62 HydrophobicContact CH2-CG 3.66Å; W31-R62 HydrophobicContact CZ2-CB 4.46Å; W31-R62 HydrophobicContact CZ2-CG 4.01Å; W31-R62 HydrophobicContact CZ3-CG 3.95Å; W31-Q66 HydrophobicContact CZ2-CB 4.38Å; W31-V67 HydrophobicContact CH2-CG2 4.27Å; W31-H70 AromaticContact CD1-ND1 3.83Å; W31-H70 HydrophobicContact CD2-CB 4.41Å; W31-H70 AromaticContact CD2-CD2 3.87Å; W31-H70 AromaticContact CD2-CE1 3.86Å; W31-H70 AromaticContact CD2-CG 3.8Å; W31-H70 AromaticContact CD2-ND1 3.83Å; W31-H70 AromaticContact CD2-NE2 3.9Å; W31-H70 AromaticContact CE2-CD2 3.94Å; W31-H70 AromaticContact CE2-CG 3.49Å; W31-H70 VanDerWaalsContact CE2-CG 3.49Å; W31-H70 AromaticContact CE2-ND1 3.72Å; W31-H70 AromaticContact CE3-CD2 3.75Å; W31-H70 AromaticContact CE3-NE2 3.83Å; W31-H70 AromaticContact CG-CE1 3.88Å; W31-H70 AromaticContact CG-ND1 3.95Å; W31-H70 HydrophobicContact CH2-CB 3.82Å; W31-H70 AromaticContact CH2-CD2 3.84Å; W31-H70 AromaticContact CH2-CG 3.94Å; W31-H70 HydrophobicContact CZ2-CB 3.29Å; W31-H70 AromaticContact CZ2-CD2 3.97Å; W31-H70 AromaticContact CZ2-CG 3.6Å; W31-H70 AromaticContact CZ3-CD2 3.72Å; W31-H70 AromaticContact NE1-CG 3.87Å; W31-H70 AromaticContact NE1-ND1 3.68Å
32T86.3Confident74.1Confident54 Ų5497.9 Ų97.933%0.33147%0.468SS..  trans-73.1157.1174.9730000110.4P30 E34 E35 H36P30-T32 PolarHBondContact O-N 3.14Å; P30-T32 VanDerWaalsContact O-N 3.1Å; T32-E34 PolarHBondContact O-N 3Å; T32-E34 PolarHBondContact OG1-N 3.39Å; T32-E35 PolarHBondContact N-OE2 2.76Å; T32-E35 VanDerWaalsContact N-OE2 3.1Å; T32-E35 PolarHBondContact O-N 3.18Å; T32-E35 WeakPolarHBondContact OG1-CG 3.13Å; T32-E35 PolarHBondContact OG1-N 2.98Å; T32-E35 PolarHBondContact OG1-OE2 2.92Å; T32-H36 WeakPolarHBondContact O-CB 3.16Å; T32-H36 PolarHBondContact O-N 3.31Å
33E84.4Confident76Confident145 Ų14592.4 Ų92.468%0.67844%0.443SS*.Hα-helixtrans-61-28.9173.4-70.2-175.365.600112.6H36 K37E33-H36 PolarHBondContact O-N 3.35Å; E33-K37 WeakPolarHBondContact O-CB 3.16Å; E33-K37 VanDerWaalsContact O-CD 3.32Å; E33-K37 WeakPolarHBondContact O-CD 3.49Å; E33-K37 WeakPolarHBondContact O-CG 3.36Å; E33-K37 PolarHBondContact O-N 3.41Å; E33-K37 IonicContact OE1-NZ 3.87Å
34E86.7Confident77.5Confident140 Ų14096.7 Ų96.765%0.65446%0.461SS*.Hα-helixtrans-70.1-49.3175.7-173.9169.984.200111.5T32 H36 K37 L38T32-E34 PolarHBondContact O-N 3Å; T32-E34 PolarHBondContact OG1-N 3.39Å; E34-H36 PolarHBondContact O-N 3.25Å; E34-K37 PolarHBondContact O-N 3.4Å; E34-K37 VanDerWaalsContact O-N 3.15Å; E34-L38 HydrophobicContact CG-CD1 4.01Å; E34-L38 WeakPolarHBondContact O-CB 3.23Å; E34-L38 VanDerWaalsContact O-CG 3.3Å; E34-L38 WeakPolarHBondContact O-CG 3.48Å; E34-L38 PolarHBondContact O-N 3.45Å
35E87.6Confident79.3Confident8 Ų897.8 Ų97.84%0.03746%0.463CS..Hα-helixtrans-57.4-34.9171.6-70.2177.711000111.5Q29 W31 T32 F39 V59 T61 R62Q29-E35 PolarHBondContact NE2-OE1 2.85Å; Q29-E35 PolarHBondContact NE2-OE2 2.79Å; W31-E35 HydrophobicContact CE3-CB 4Å; W31-E35 HydrophobicContact CZ3-CB 4.34Å; T32-E35 PolarHBondContact N-OE2 2.76Å; T32-E35 VanDerWaalsContact N-OE2 3.1Å; T32-E35 PolarHBondContact O-N 3.18Å; T32-E35 WeakPolarHBondContact OG1-CG 3.13Å; T32-E35 PolarHBondContact OG1-N 2.98Å; T32-E35 PolarHBondContact OG1-OE2 2.92Å; E35-F39 VanDerWaalsContact O-CB 3.3Å; E35-F39 WeakPolarHBondContact O-CB 3.16Å; E35-F39 PolarHBondContact O-N 3.45Å; E35-V59 HydrophobicContact CB-CG1 4.02Å; E35-V59 HydrophobicContact CG-CG1 4.11Å; E35-T61 WeakPolarHBondContact OE1-CB 3.32Å; E35-T61 PolarHBondContact OE1-OG1 3.15Å; E35-R62 IonicContact OE1-CZ 3.62Å; E35-R62 IonicContact OE1-NE 3.65Å; E35-R62 PolarHBondContact OE1-NE 3.23Å; E35-R62 IonicContact OE1-NH2 2.73Å; E35-R62 PolarHBondContact OE1-NH2 2.91Å; E35-R62 IonicContact OE2-CZ 3.4Å; E35-R62 IonicContact OE2-NE 2.69Å; E35-R62 IonicContact OE2-NH2 3.21Å; E35-R62 PolarHBondContact OE2-NH2 2.95Å
36H87.8Confident81Confident57 Ų5792 Ų9226%0.26444%0.442SS..Hα-helixtrans-71.4-43.7175.5-170.122.7000112.9T32 E33 E34 L38 F39 L40 H70 Y74T32-H36 WeakPolarHBondContact O-CB 3.16Å; T32-H36 PolarHBondContact O-N 3.31Å; E33-H36 PolarHBondContact O-N 3.35Å; E34-H36 PolarHBondContact O-N 3.25Å; H36-L38 VanDerWaalsContact C-N 3.31Å; H36-L38 PolarHBondContact O-N 2.85Å; H36-F39 AromaticContact ND1-CD1 3.75Å; H36-F39 WeakPolarHBondContact O-CB 3.47Å; H36-F39 PolarHBondContact O-N 3.46Å; H36-L40 WeakPolarHBondContact O-CG 3.43Å; H36-L40 PolarHBondContact O-N 2.96Å; H36-H70 AromaticContact ND1-NE2 3.62Å; H36-Y74 AromaticContact CE1-CD2 3.57Å; H36-Y74 AromaticContact CE1-CE2 3.68Å; H36-Y74 AromaticContact NE2-CE2 3.93Å
37K89.8Confident82.5Confident130 Ų13086.4 Ų86.457%0.56543%0.426SS*.Hα-helixtrans-59-43.4173.7-73.7157.7-169.2166.40110.9E33 E34 L40 L41E33-K37 WeakPolarHBondContact O-CB 3.16Å; E33-K37 VanDerWaalsContact O-CD 3.32Å; E33-K37 WeakPolarHBondContact O-CD 3.49Å; E33-K37 WeakPolarHBondContact O-CG 3.36Å; E33-K37 PolarHBondContact O-N 3.41Å; E33-K37 IonicContact OE1-NZ 3.87Å; E34-K37 PolarHBondContact O-N 3.4Å; E34-K37 VanDerWaalsContact O-N 3.15Å; K37-L40 PolarHBondContact O-N 2.81Å; K37-L41 WeakPolarHBondContact O-CB 3.41Å; K37-L41 PolarHBondContact O-N 2.88Å
38L90.1Very high84Confident57 Ų5784.5 Ų84.530%0.29842%0.419SS..Hα-helixtrans-64.6-41.6175.5-71.2164.8000111.8E34 H36 L41 G42 F58 V59E34-L38 HydrophobicContact CG-CD1 4.01Å; E34-L38 WeakPolarHBondContact O-CB 3.23Å; E34-L38 VanDerWaalsContact O-CG 3.3Å; E34-L38 WeakPolarHBondContact O-CG 3.48Å; E34-L38 PolarHBondContact O-N 3.45Å; H36-L38 VanDerWaalsContact C-N 3.31Å; H36-L38 PolarHBondContact O-N 2.85Å; L38-L41 PolarHBondContact O-N 2.87Å; L38-G42 PolarHBondContact O-N 2.89Å; L38-F58 HydrophobicContact CB-CB 4.19Å; L38-F58 WeakPolarHBondContact CB-O 3.02Å; L38-F58 WeakPolarHBondContact CD1-O 3.28Å; L38-F58 HydrophobicContact CD2-CD1 4.17Å; L38-F58 WeakPolarHBondContact O-CB 3.3Å; L38-V59 HydrophobicContact CB-CG2 4.17Å
39F89Confident85.2Confident0 Ų083 Ų830%040%0.403CS..Hα-helixtrans-59.2-45171.4167.7-99.7000112.8E35 H36 G42 L43 W51 I54 V59 V67 H70 A71 Y74E35-F39 VanDerWaalsContact O-CB 3.3Å; E35-F39 WeakPolarHBondContact O-CB 3.16Å; E35-F39 PolarHBondContact O-N 3.45Å; H36-F39 AromaticContact ND1-CD1 3.75Å; H36-F39 WeakPolarHBondContact O-CB 3.47Å; H36-F39 PolarHBondContact O-N 3.46Å; F39-G42 PolarHBondContact O-N 3.07Å; F39-L43 HydrophobicContact CD1-CD1 4.26Å; F39-L43 HydrophobicContact CE1-CD1 3.47Å; F39-L43 VanDerWaalsContact CE1-CD1 3.47Å; F39-L43 HydrophobicContact CE1-CG 4.11Å; F39-L43 HydrophobicContact CE2-CD1 4.36Å; F39-L43 HydrophobicContact CE2-CG 4.19Å; F39-L43 HydrophobicContact CZ-CD1 3.51Å; F39-L43 HydrophobicContact CZ-CD2 4.27Å; F39-L43 HydrophobicContact CZ-CG 3.82Å; F39-L43 PolarHBondContact O-N 3.32Å; F39-W51 HydrophobicContact CE2-CZ3 4.08Å; F39-I54 HydrophobicContact CD2-CG2 4.12Å; F39-V59 HydrophobicContact CB-CG2 4.13Å; F39-V67 HydrophobicContact CD2-CG1 3.94Å; F39-V67 HydrophobicContact CE2-CG1 3.93Å; F39-H70 AromaticContact CD1-CD2 3.98Å; F39-A71 HydrophobicContact CE2-CB 3.82Å; F39-A71 HydrophobicContact CZ-CB 3.62Å; F39-Y74 HydrophobicContact CE1-CD1 4.18Å; F39-Y74 HydrophobicContact CE1-CG 4.05Å
40L90.1Very high86.5Confident62 Ų6281.3 Ų81.333%0.32540%0.398SS..Hα-helixtrans-65.6-38.3177.3-67.5176.3000112.1H36 K37 G42 L43 K44 Y74H36-L40 WeakPolarHBondContact O-CG 3.43Å; H36-L40 PolarHBondContact O-N 2.96Å; K37-L40 PolarHBondContact O-N 2.81Å; L40-G42 VanDerWaalsContact C-N 3.34Å; L40-L43 HydrophobicContact CD2-CD1 4.33Å; L40-L43 PolarHBondContact O-N 3.25Å; L40-K44 PolarHBondContact O-N 2.9Å; L40-Y74 HydrophobicContact CD2-CD2 4.47Å; L40-Y74 HydrophobicContact CD2-CE1 3.98Å; L40-Y74 HydrophobicContact CD2-CE2 3.77Å
41L90.7Very high87.1Confident81 Ų8178.6 Ų78.642%0.42437%0.374SS..Hα-helixtrans-65.8-39.2173.4-174.157.4000111.2K37 L38 K44 K45 F58K37-L41 WeakPolarHBondContact O-CB 3.41Å; K37-L41 PolarHBondContact O-N 2.88Å; L38-L41 PolarHBondContact O-N 2.87Å; L41-K44 CarbonylContact O-C 3.58Å; L41-K44 PolarHBondContact O-N 3.27Å; L41-K45 HydrophobicContact CD1-CG 4.19Å; L41-K45 HydrophobicContact CG-CG 4.43Å; L41-K45 WeakPolarHBondContact O-CB 3.33Å; L41-K45 VanDerWaalsContact O-CG 3.29Å; L41-K45 WeakPolarHBondContact O-CG 3.48Å; L41-K45 PolarHBondContact O-N 3.16Å; L41-F58 HydrophobicContact CB-CD1 4.33Å; L41-F58 HydrophobicContact CB-CE1 4.16Å; L41-F58 HydrophobicContact CD2-CD1 4.23Å; L41-F58 HydrophobicContact CD2-CE1 3.63Å; L41-F58 HydrophobicContact CG-CD1 4.24Å; L41-F58 HydrophobicContact CG-CE1 3.6Å; L41-F58 HydrophobicContact CG-CZ 4.14Å
42G90.7Very high87.6Confident0 Ų083.5 Ų83.50%039%0.393CS..Hα-helixtrans-60.4-46.1171.700000113.3L38 F39 L40 K44 K45 Y46 F58L38-G42 PolarHBondContact O-N 2.89Å; F39-G42 PolarHBondContact O-N 3.07Å; L40-G42 VanDerWaalsContact C-N 3.34Å; G42-K44 VanDerWaalsContact C-N 3.28Å; G42-K44 PolarHBondContact O-N 3.44Å; G42-K45 PolarHBondContact O-N 2.92Å; G42-K45 VanDerWaalsContact O-N 3.16Å; G42-Y46 PolarHBondContact O-N 3.24Å; G42-F58 VanDerWaalsContact CA-CD2 3.41Å
43L88.7Confident87.7Confident25 Ų2583.8 Ų83.813%0.13139%0.392CS..Hα-helixtrans-57.5-40171.3-80.3179.8000112.2F39 L40 G47 W51 I54 Y74 F75F39-L43 HydrophobicContact CD1-CD1 4.26Å; F39-L43 HydrophobicContact CE1-CD1 3.47Å; F39-L43 VanDerWaalsContact CE1-CD1 3.47Å; F39-L43 HydrophobicContact CE1-CG 4.11Å; F39-L43 HydrophobicContact CE2-CD1 4.36Å; F39-L43 HydrophobicContact CE2-CG 4.19Å; F39-L43 HydrophobicContact CZ-CD1 3.51Å; F39-L43 HydrophobicContact CZ-CD2 4.27Å; F39-L43 HydrophobicContact CZ-CG 3.82Å; F39-L43 PolarHBondContact O-N 3.32Å; L40-L43 HydrophobicContact CD2-CD1 4.33Å; L40-L43 PolarHBondContact O-N 3.25Å; L43-G47 WeakPolarHBondContact O-CA 3.29Å; L43-G47 PolarHBondContact O-N 3.48Å; L43-W51 HydrophobicContact CD2-CH2 3.73Å; L43-W51 HydrophobicContact CD2-CZ3 3.57Å; L43-I54 HydrophobicContact CD2-CD1 4.35Å; L43-Y74 HydrophobicContact CD1-CD1 4.29Å; L43-Y74 HydrophobicContact CD1-CE1 4.31Å; L43-F75 HydrophobicContact CD1-CE1 4.31Å; L43-F75 HydrophobicContact CD1-CZ 4.32Å; L43-F75 HydrophobicContact CD2-CE1 4.5Å; L43-F75 HydrophobicContact CD2-CZ 3.82Å
44K87.9Confident87.8Confident183 Ų18376.9 Ų76.980%0.79636%0.36SS*.Hα-helixtrans-72.7-25.8177.9-170.8174-179.3178.60113.2L40 L41 G42L40-K44 PolarHBondContact O-N 2.9Å; L41-K44 CarbonylContact O-C 3.58Å; L41-K44 PolarHBondContact O-N 3.27Å; G42-K44 VanDerWaalsContact C-N 3.28Å; G42-K44 PolarHBondContact O-N 3.44Å
45K89.3Confident87.9Confident145 Ų14570.7 Ų70.763%0.6333%0.332SS*.Hα-helixtrans-97.4-32.4-174.6-74.6-68.4-58.6-177.10114.7L41 G42 F58L41-K45 HydrophobicContact CD1-CG 4.19Å; L41-K45 HydrophobicContact CG-CG 4.43Å; L41-K45 WeakPolarHBondContact O-CB 3.33Å; L41-K45 VanDerWaalsContact O-CG 3.29Å; L41-K45 WeakPolarHBondContact O-CG 3.48Å; L41-K45 PolarHBondContact O-N 3.16Å; G42-K45 PolarHBondContact O-N 2.92Å; G42-K45 VanDerWaalsContact O-N 3.16Å; K45-F58 HydrophobicContact CB-CE2 4.07Å; K45-F58 HydrophobicContact CB-CZ 4.04Å; K45-F58 HydrophobicContact CG-CZ 3.98Å
46Y87Confident87.9Confident89 Ų8978.7 Ų78.735%0.34936%0.362SS..Hα-helixtrans-116-10.1177.8-61-69.4000114G42 D50 N53 I54 N57 F58G42-Y46 PolarHBondContact O-N 3.24Å; Y46-D50 HydrophobicContact CG-CB 4.28Å; Y46-N53 HydrophobicContact CD1-CB 4.07Å; Y46-N53 HydrophobicContact CD2-CB 3.9Å; Y46-N53 HydrophobicContact CE1-CB 3.96Å; Y46-N53 HydrophobicContact CE2-CB 3.76Å; Y46-N53 HydrophobicContact CG-CB 4.06Å; Y46-I54 HydrophobicContact CD2-CG1 3.93Å; Y46-N57 HydrophobicContact CE2-CB 4.26Å; Y46-N57 VanDerWaalsContact OH-CG 3.22Å; Y46-N57 PolarHBondContact OH-ND2 2.9Å; Y46-F58 HydrophobicContact CD2-CD2 4.29Å; Y46-F58 AromaticContact CD2-CE2 3.96Å; Y46-F58 HydrophobicContact CD2-CE2 3.96Å; Y46-F58 AromaticContact CE2-CD2 3.9Å; Y46-F58 HydrophobicContact CE2-CD2 3.9Å; Y46-F58 AromaticContact CE2-CE2 3.52Å; Y46-F58 HydrophobicContact CE2-CE2 3.52Å
47G84.6Confident88Confident30 Ų3080.3 Ų80.331%0.30937%0.373SS..  trans83.2-159.5-176.800000113.8L43L43-G47 WeakPolarHBondContact O-CA 3.29Å; L43-G47 PolarHBondContact O-N 3.48Å
48R81.5Confident87.8Confident210 Ų21076 Ų7679%0.79235%0.354SS*.SBendtrans-100.4115.4-178.2-44.3-178.9-159.5169.35.5109W51 F75R48-W51 HydrophobicContact CB-CH2 4.48Å; R48-F75 HydrophobicContact CB-CZ 4.24Å; R48-F75 HydrophobicContact CG-CE1 4.38Å; R48-F75 HydrophobicContact CG-CZ 3.88Å
49G80.2Confident87.5Confident43 Ų4373.3 Ų73.344%0.44334%0.34SS..SBendtrans131.6-29.6179.500000113.7W51G49-W51 PolarHBondContact O-N 3.37Å; G49-W51 PolarHBondContact O-NE1 3.1Å
50D90Very high87.3Confident68 Ų6880.7 Ų80.736%0.36437%0.374SS..  trans-80.840.9-172.6-108.9-75.1000114.6Y46 R52 N53 I54Y46-D50 HydrophobicContact CG-CB 4.28Å; D50-R52 PolarHBondContact O-N 3.1Å; D50-N53 HydrophobicContact CB-CB 4.38Å; D50-N53 WeakPolarHBondContact O-CA 3.47Å; D50-N53 PolarHBondContact O-N 2.84Å; D50-N53 PolarHBondContact OD1-ND2 3.19Å; D50-I54 WeakPolarHBondContact O-CG1 3.39Å; D50-I54 PolarHBondContact O-N 3.5Å
51W88.4Confident86.8Confident46 Ų4681.1 Ų81.117%0.17438%0.38CS..Hα-helixtrans-58.1-27.6-172.6-44.4119000113.6F39 L43 R48 G49 I54 S55 V67 V68 A71 F75F39-W51 HydrophobicContact CE2-CZ3 4.08Å; L43-W51 HydrophobicContact CD2-CH2 3.73Å; L43-W51 HydrophobicContact CD2-CZ3 3.57Å; R48-W51 HydrophobicContact CB-CH2 4.48Å; G49-W51 PolarHBondContact O-N 3.37Å; G49-W51 PolarHBondContact O-NE1 3.1Å; W51-I54 HydrophobicContact CE3-CD1 3.77Å; W51-I54 HydrophobicContact CZ3-CD1 3.83Å; W51-S55 WeakPolarHBondContact O-CB 3.3Å; W51-S55 PolarHBondContact O-N 2.87Å; W51-V67 HydrophobicContact CB-CG1 4.27Å; W51-V67 HydrophobicContact CE3-CG1 3.8Å; W51-V68 HydrophobicContact CB-CG2 3.8Å; W51-V68 HydrophobicContact CD2-CG2 4.28Å; W51-V68 HydrophobicContact CG-CG2 3.49Å; W51-V68 VanDerWaalsContact CG-CG2 3.49Å; W51-A71 HydrophobicContact CE3-CB 4.09Å; W51-A71 HydrophobicContact CH2-CB 3.52Å; W51-A71 HydrophobicContact CZ2-CB 4.06Å; W51-A71 HydrophobicContact CZ3-CB 3.53Å; W51-F75 AromaticContact CH2-CE2 3.72Å; W51-F75 HydrophobicContact CH2-CE2 3.72Å; W51-F75 AromaticContact CH2-CZ 3.99Å; W51-F75 HydrophobicContact CH2-CZ 3.99Å; W51-F75 HydrophobicContact CZ2-CE2 4.19Å
52R88.6Confident86.4Confident180 Ų18078 Ų7868%0.67936%0.362SS*.Hα-helixtrans-69.7-39.3174.7-57.2179.181.9179.26111.8D50 R56 P64D50-R52 PolarHBondContact O-N 3.1Å; R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 VanDerWaalsContact O-CG 3.3Å; R52-R56 WeakPolarHBondContact O-CG 3.3Å; R52-R56 PolarHBondContact O-N 3.17Å; R52-R56 VanDerWaalsContact O-N 3.14Å; R52-P64 HydrophobicContact CG-CB 4.25Å
53N88.9Confident86.2Confident60 Ų6079.9 Ų79.932%0.32137%0.374SS..Hα-helixtrans-77.8-38176.2-80.9-46.2000111.9Y46 D50 R56 N57Y46-N53 HydrophobicContact CD1-CB 4.07Å; Y46-N53 HydrophobicContact CD2-CB 3.9Å; Y46-N53 HydrophobicContact CE1-CB 3.96Å; Y46-N53 HydrophobicContact CE2-CB 3.76Å; Y46-N53 HydrophobicContact CG-CB 4.06Å; D50-N53 HydrophobicContact CB-CB 4.38Å; D50-N53 WeakPolarHBondContact O-CA 3.47Å; D50-N53 PolarHBondContact O-N 2.84Å; D50-N53 PolarHBondContact OD1-ND2 3.19Å; N53-R56 PolarHBondContact O-N 2.92Å; N53-N57 WeakPolarHBondContact O-CB 3.39Å; N53-N57 PolarHBondContact O-N 3.39Å; N53-N57 PolarHBondContact O-ND2 3.13Å
54I87Confident86.1Confident0 Ų081 Ų810%038%0.383CS..Hα-helixtrans-62.8-46.5174-63.4170.6000110.8F39 L43 Y46 D50 W51 F58 V59 V67F39-I54 HydrophobicContact CD2-CG2 4.12Å; L43-I54 HydrophobicContact CD2-CD1 4.35Å; Y46-I54 HydrophobicContact CD2-CG1 3.93Å; D50-I54 WeakPolarHBondContact O-CG1 3.39Å; D50-I54 PolarHBondContact O-N 3.5Å; W51-I54 HydrophobicContact CE3-CD1 3.77Å; W51-I54 HydrophobicContact CZ3-CD1 3.83Å; I54-F58 WeakPolarHBondContact O-CA 3.23Å; I54-F58 WeakPolarHBondContact O-CB 3.46Å; I54-F58 PolarHBondContact O-N 3.36Å; I54-V59 HydrophobicContact CG2-CG2 4.47Å; I54-V59 PolarHBondContact O-N 3Å; I54-V67 HydrophobicContact CB-CG1 4.23Å; I54-V67 HydrophobicContact CG2-CG1 3.84Å
55S88.5Confident86.1Confident11 Ų1177.3 Ų77.38%0.07738%0.375CS..Hα-helixtrans-57.5-51.2172.7168.30000112W51 V59 Q60 R62 P64W51-S55 WeakPolarHBondContact O-CB 3.3Å; W51-S55 PolarHBondContact O-N 2.87Å; S55-V59 CarbonylContact O-C 2.98Å; S55-V59 PolarHBondContact O-N 3.01Å; S55-V59 VanDerWaalsContact O-O 3.09Å; S55-Q60 VanDerWaalsContact O-CA 3.31Å; S55-Q60 WeakPolarHBondContact O-CA 3.37Å; S55-Q60 PolarHBondContact O-N 2.9Å; S55-Q60 VanDerWaalsContact O-N 3.08Å; S55-R62 WeakPolarHBondContact CB-O 3.42Å; S55-R62 PolarHBondContact OG-O 3.21Å; S55-P64 WeakPolarHBondContact OG-CD 3.4Å
56R87.6Confident86.1Confident175 Ų17574 Ų7466%0.6636%0.362SS*.Hα-helixtrans-71.4-35.8-174.5-75.1174.6169.6-174.9-6.9115.4R52 N53 Q60R52-R56 WeakPolarHBondContact O-CB 3.34Å; R52-R56 VanDerWaalsContact O-CG 3.3Å; R52-R56 WeakPolarHBondContact O-CG 3.3Å; R52-R56 PolarHBondContact O-N 3.17Å; R52-R56 VanDerWaalsContact O-N 3.14Å; N53-R56 PolarHBondContact O-N 2.92Å; R56-Q60 VanDerWaalsContact O-CG 3.22Å; R56-Q60 WeakPolarHBondContact O-CG 3.47Å
57N88.5Confident86.2Confident91 Ų9169.8 Ų69.849%0.48735%0.346SS..Hα-helixtrans-100.8-29.1-172.8-61.2-90.9000113.1Y46 N53Y46-N57 HydrophobicContact CE2-CB 4.26Å; Y46-N57 VanDerWaalsContact OH-CG 3.22Å; Y46-N57 PolarHBondContact OH-ND2 2.9Å; N53-N57 WeakPolarHBondContact O-CB 3.39Å; N53-N57 PolarHBondContact O-N 3.39Å; N53-N57 PolarHBondContact O-ND2 3.13Å
58F87.3Confident86.5Confident39 Ų3971.1 Ų71.117%0.17135%0.348CS..THydrogen-bonded Turntrans-113-43-174.9-70.1-74.7000113.2L38 L41 G42 K45 Y46 I54L38-F58 HydrophobicContact CB-CB 4.19Å; L38-F58 WeakPolarHBondContact CB-O 3.02Å; L38-F58 WeakPolarHBondContact CD1-O 3.28Å; L38-F58 HydrophobicContact CD2-CD1 4.17Å; L38-F58 WeakPolarHBondContact O-CB 3.3Å; L41-F58 HydrophobicContact CB-CD1 4.33Å; L41-F58 HydrophobicContact CB-CE1 4.16Å; L41-F58 HydrophobicContact CD2-CD1 4.23Å; L41-F58 HydrophobicContact CD2-CE1 3.63Å; L41-F58 HydrophobicContact CG-CD1 4.24Å; L41-F58 HydrophobicContact CG-CE1 3.6Å; L41-F58 HydrophobicContact CG-CZ 4.14Å; G42-F58 VanDerWaalsContact CA-CD2 3.41Å; K45-F58 HydrophobicContact CB-CE2 4.07Å; K45-F58 HydrophobicContact CB-CZ 4.04Å; K45-F58 HydrophobicContact CG-CZ 3.98Å; Y46-F58 HydrophobicContact CD2-CD2 4.29Å; Y46-F58 AromaticContact CD2-CE2 3.96Å; Y46-F58 HydrophobicContact CD2-CE2 3.96Å; Y46-F58 AromaticContact CE2-CD2 3.9Å; Y46-F58 HydrophobicContact CE2-CD2 3.9Å; Y46-F58 AromaticContact CE2-CE2 3.52Å; Y46-F58 HydrophobicContact CE2-CE2 3.52Å; I54-F58 WeakPolarHBondContact O-CA 3.23Å; I54-F58 WeakPolarHBondContact O-CB 3.46Å; I54-F58 PolarHBondContact O-N 3.36Å
59V84Confident86.9Confident1 Ų164.5 Ų64.51%0.00633%0.334CS..  trans-126.662.1-171.5-156.90000111.2W31 E35 L38 F39 I54 S55 T61 R62W31-V59 HydrophobicContact CH2-CG1 4.49Å; W31-V59 HydrophobicContact CZ3-CG1 4.03Å; E35-V59 HydrophobicContact CB-CG1 4.02Å; E35-V59 HydrophobicContact CG-CG1 4.11Å; L38-V59 HydrophobicContact CB-CG2 4.17Å; F39-V59 HydrophobicContact CB-CG2 4.13Å; I54-V59 HydrophobicContact CG2-CG2 4.47Å; I54-V59 PolarHBondContact O-N 3Å; S55-V59 CarbonylContact O-C 2.98Å; S55-V59 PolarHBondContact O-N 3.01Å; S55-V59 VanDerWaalsContact O-O 3.09Å; V59-T61 PolarHBondContact O-N 2.86Å; V59-T61 VanDerWaalsContact O-N 3.15Å; V59-R62 HydrophobicContact CB-CB 4.37Å; V59-R62 HydrophobicContact CG1-CB 3.77Å; V59-R62 HydrophobicContact CG1-CG 3.44Å; V59-R62 VanDerWaalsContact CG1-CG 3.44Å; V59-R62 PolarHBondContact O-N 3.39Å
60Q83.1Confident87.3Confident155 Ų15563.7 Ų63.772%0.72432%0.318SS*.THydrogen-bonded Turntrans-59.2-27.9-175.7-68.7-179.776.600113.1S55 R56 R62S55-Q60 VanDerWaalsContact O-CA 3.31Å; S55-Q60 WeakPolarHBondContact O-CA 3.37Å; S55-Q60 PolarHBondContact O-N 2.9Å; S55-Q60 VanDerWaalsContact O-N 3.08Å; R56-Q60 VanDerWaalsContact O-CG 3.22Å; R56-Q60 WeakPolarHBondContact O-CG 3.47Å; Q60-R62 PolarHBondContact O-N 2.72Å
61T81.2Confident87.3Confident71 Ų7160.5 Ų60.544%0.43630%0.302SS..THydrogen-bonded Turntrans-68.1-5.4172.148.20000114.2Q23 E35 V59Q23-T61 PolarHBondContact NE2-O 2.93Å; E35-T61 WeakPolarHBondContact OE1-CB 3.32Å; E35-T61 PolarHBondContact OE1-OG1 3.15Å; V59-T61 PolarHBondContact O-N 2.86Å; V59-T61 VanDerWaalsContact O-N 3.15Å
62R81.3Confident87.3Confident16 Ų1663.6 Ų63.66%0.0632%0.318CS..SBendtrans-130.1131.4-179-57.5-65.2168.5164.73.2111.3Q29 P30 W31 E35 S55 V59 Q60 Q66 V67Q29-R62 PolarHBondContact O-NH1 3.44Å; Q29-R62 PolarHBondContact O-NH2 2.74Å; P30-R62 PolarHBondContact O-NH2 2.6Å; W31-R62 HydrophobicContact CH2-CB 4.05Å; W31-R62 HydrophobicContact CH2-CG 3.66Å; W31-R62 HydrophobicContact CZ2-CB 4.46Å; W31-R62 HydrophobicContact CZ2-CG 4.01Å; W31-R62 HydrophobicContact CZ3-CG 3.95Å; E35-R62 IonicContact OE1-CZ 3.62Å; E35-R62 IonicContact OE1-NE 3.65Å; E35-R62 PolarHBondContact OE1-NE 3.23Å; E35-R62 IonicContact OE1-NH2 2.73Å; E35-R62 PolarHBondContact OE1-NH2 2.91Å; E35-R62 IonicContact OE2-CZ 3.4Å; E35-R62 IonicContact OE2-NE 2.69Å; E35-R62 IonicContact OE2-NH2 3.21Å; E35-R62 PolarHBondContact OE2-NH2 2.95Å; S55-R62 WeakPolarHBondContact CB-O 3.42Å; S55-R62 PolarHBondContact OG-O 3.21Å; V59-R62 HydrophobicContact CB-CB 4.37Å; V59-R62 HydrophobicContact CG1-CB 3.77Å; V59-R62 HydrophobicContact CG1-CG 3.44Å; V59-R62 VanDerWaalsContact CG1-CG 3.44Å; V59-R62 PolarHBondContact O-N 3.39Å; Q60-R62 PolarHBondContact O-N 2.72Å; R62-Q66 HydrophobicContact CB-CB 4.25Å; R62-V67 HydrophobicContact CB-CG2 4.04Å
63T86.1Confident87.2Confident40 Ų4061.9 Ų61.925%0.24532%0.315CS..  trans-61.8153.317161.40000110.8T65 Q66 V67T63-T65 PolarHBondContact O-N 2.88Å; T63-T65 VanDerWaalsContact O-N 3.15Å; T63-Q66 WeakPolarHBondContact O-CB 3.5Å; T63-Q66 PolarHBondContact O-N 2.9Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.33Å; T63-Q66 PolarHBondContact OG1-N 3.05Å; T63-Q66 PolarHBondContact OG1-OE1 2.8Å; T63-V67 PolarHBondContact O-N 3.02Å
64P86.4Confident87.1Confident48 Ų4861.6 Ų61.631%0.31231%0.31SS..Hα-helixtrans-57.7-30.5176.123-33.8000112.5R52 S55 V67 V68R52-P64 HydrophobicContact CG-CB 4.25Å; S55-P64 WeakPolarHBondContact OG-CD 3.4Å; P64-V67 PolarHBondContact O-N 3.05Å; P64-V68 VanDerWaalsContact O-CG2 3.31Å; P64-V68 WeakPolarHBondContact O-CG2 3.16Å; P64-V68 PolarHBondContact O-N 3.49Å
65T88.2Confident87Confident105 Ų10564.3 Ų64.364%0.64432%0.322SS*.Hα-helixtrans-67.1-39.8175-42.90000112.6T63 V67 V68 S69T63-T65 PolarHBondContact O-N 2.88Å; T63-T65 VanDerWaalsContact O-N 3.15Å; T65-V67 VanDerWaalsContact C-N 3.34Å; T65-V68 PolarHBondContact O-N 3.01Å; T65-S69 PolarHBondContact O-N 3.43Å
66Q89.6Confident86.6Confident76 Ų7669.6 Ų69.636%0.35535%0.347SS..Hα-helixtrans-65.2-39.7171.4-74.4162.7-47.200111.1W31 R62 T63 S69 H70W31-Q66 HydrophobicContact CZ2-CB 4.38Å; R62-Q66 HydrophobicContact CB-CB 4.25Å; T63-Q66 WeakPolarHBondContact O-CB 3.5Å; T63-Q66 PolarHBondContact O-N 2.9Å; T63-Q66 WeakPolarHBondContact OG1-CG 3.33Å; T63-Q66 PolarHBondContact OG1-N 3.05Å; T63-Q66 PolarHBondContact OG1-OE1 2.8Å; Q66-S69 PolarHBondContact O-N 2.73Å; Q66-H70 WeakPolarHBondContact O-CB 3.48Å; Q66-H70 PolarHBondContact O-N 2.85Å
67V89.4Confident86.1Confident0 Ų071.7 Ų71.70%036%0.355CS..Hα-helixtrans-62.8-41.2175175.80000111.4W31 F39 W51 I54 R62 T63 P64 T65 H70 A71W31-V67 HydrophobicContact CH2-CG2 4.27Å; F39-V67 HydrophobicContact CD2-CG1 3.94Å; F39-V67 HydrophobicContact CE2-CG1 3.93Å; W51-V67 HydrophobicContact CB-CG1 4.27Å; W51-V67 HydrophobicContact CE3-CG1 3.8Å; I54-V67 HydrophobicContact CB-CG1 4.23Å; I54-V67 HydrophobicContact CG2-CG1 3.84Å; R62-V67 HydrophobicContact CB-CG2 4.04Å; T63-V67 PolarHBondContact O-N 3.02Å; P64-V67 PolarHBondContact O-N 3.05Å; T65-V67 VanDerWaalsContact C-N 3.34Å; V67-H70 PolarHBondContact O-N 2.76Å; V67-A71 VanDerWaalsContact O-CB 3.23Å; V67-A71 WeakPolarHBondContact O-CB 3.31Å; V67-A71 PolarHBondContact O-N 3.03Å
68V90.1Very high85.3Confident59 Ų5973 Ų7336%0.35836%0.358SS..Hα-helixtrans-58.4-52.2172.3169.50000111.2W51 P64 T65 H70 A71 Q72W51-V68 HydrophobicContact CB-CG2 3.8Å; W51-V68 HydrophobicContact CD2-CG2 4.28Å; W51-V68 HydrophobicContact CG-CG2 3.49Å; W51-V68 VanDerWaalsContact CG-CG2 3.49Å; P64-V68 VanDerWaalsContact O-CG2 3.31Å; P64-V68 WeakPolarHBondContact O-CG2 3.16Å; P64-V68 PolarHBondContact O-N 3.49Å; T65-V68 PolarHBondContact O-N 3.01Å; V68-H70 VanDerWaalsContact C-N 3.31Å; V68-H70 PolarHBondContact O-N 3.39Å; V68-A71 PolarHBondContact O-N 2.97Å; V68-Q72 WeakPolarHBondContact O-CB 3.22Å; V68-Q72 PolarHBondContact O-N 3.14Å
69S90.2Very high84.1Confident70 Ų7077.9 Ų77.949%0.4939%0.386SS..Hα-helixtrans-62.5-38.4-177.9-178.10000112.3T65 Q66 K73T65-S69 PolarHBondContact O-N 3.43Å; Q66-S69 PolarHBondContact O-N 2.73Å; S69-K73 PolarHBondContact O-N 3.29Å; S69-K73 VanDerWaalsContact O-N 3.13Å
70H89.1Confident82.8Confident27 Ų2782 Ų8213%0.12541%0.414CS..Hα-helixtrans-70.8-39.1174.3-168.962000112.4W31 H36 F39 Q66 V67 V68 K73 Y74W31-H70 AromaticContact CD1-ND1 3.83Å; W31-H70 HydrophobicContact CD2-CB 4.41Å; W31-H70 AromaticContact CD2-CD2 3.87Å; W31-H70 AromaticContact CD2-CE1 3.86Å; W31-H70 AromaticContact CD2-CG 3.8Å; W31-H70 AromaticContact CD2-ND1 3.83Å; W31-H70 AromaticContact CD2-NE2 3.9Å; W31-H70 AromaticContact CE2-CD2 3.94Å; W31-H70 AromaticContact CE2-CG 3.49Å; W31-H70 VanDerWaalsContact CE2-CG 3.49Å; W31-H70 AromaticContact CE2-ND1 3.72Å; W31-H70 AromaticContact CE3-CD2 3.75Å; W31-H70 AromaticContact CE3-NE2 3.83Å; W31-H70 AromaticContact CG-CE1 3.88Å; W31-H70 AromaticContact CG-ND1 3.95Å; W31-H70 HydrophobicContact CH2-CB 3.82Å; W31-H70 AromaticContact CH2-CD2 3.84Å; W31-H70 AromaticContact CH2-CG 3.94Å; W31-H70 HydrophobicContact CZ2-CB 3.29Å; W31-H70 AromaticContact CZ2-CD2 3.97Å; W31-H70 AromaticContact CZ2-CG 3.6Å; W31-H70 AromaticContact CZ3-CD2 3.72Å; W31-H70 AromaticContact NE1-CG 3.87Å; W31-H70 AromaticContact NE1-ND1 3.68Å; H36-H70 AromaticContact ND1-NE2 3.62Å; F39-H70 AromaticContact CD1-CD2 3.98Å; Q66-H70 WeakPolarHBondContact O-CB 3.48Å; Q66-H70 PolarHBondContact O-N 2.85Å; V67-H70 PolarHBondContact O-N 2.76Å; V68-H70 VanDerWaalsContact C-N 3.31Å; V68-H70 PolarHBondContact O-N 3.39Å; H70-K73 PolarHBondContact O-N 3.36Å; H70-Y74 VanDerWaalsContact O-CB 3.23Å; H70-Y74 WeakPolarHBondContact O-CB 3.4Å; H70-Y74 PolarHBondContact O-N 2.86Å
71A89.3Confident81.4Confident1 Ų178.1 Ų78.11%0.00842%0.416CS..Hα-helixtrans-62.2-44.6174.500000111.9F39 W51 V67 V68 K73 Y74 F75F39-A71 HydrophobicContact CE2-CB 3.82Å; F39-A71 HydrophobicContact CZ-CB 3.62Å; W51-A71 HydrophobicContact CE3-CB 4.09Å; W51-A71 HydrophobicContact CH2-CB 3.52Å; W51-A71 HydrophobicContact CZ2-CB 4.06Å; W51-A71 HydrophobicContact CZ3-CB 3.53Å; V67-A71 VanDerWaalsContact O-CB 3.23Å; V67-A71 WeakPolarHBondContact O-CB 3.31Å; V67-A71 PolarHBondContact O-N 3.03Å; V68-A71 PolarHBondContact O-N 2.97Å; A71-K73 PolarHBondContact O-N 3.25Å; A71-Y74 PolarHBondContact O-N 3.15Å; A71-F75 HydrophobicContact CB-CD2 4.37Å; A71-F75 HydrophobicContact CB-CE2 3.98Å; A71-F75 WeakPolarHBondContact O-CB 3.49Å; A71-F75 WeakPolarHBondContact O-CD2 3.46Å; A71-F75 VanDerWaalsContact O-CG 3.3Å; A71-F75 WeakPolarHBondContact O-CG 3.47Å; A71-F75 PolarHBondContact O-N 2.67Å
72Q88.4Confident80.2Confident110 Ų11077.7 Ų77.751%0.51443%0.426SS..Hα-helixtrans-56.5-51174.6-177.2-179.71.500111.1V68 Y74 F75 M76V68-Q72 WeakPolarHBondContact O-CB 3.22Å; V68-Q72 PolarHBondContact O-N 3.14Å; Q72-Y74 PolarHBondContact O-N 3.08Å; Q72-F75 PolarHBondContact O-N 2.86Å; Q72-M76 HydrophobicContact CG-CE 3.92Å; Q72-M76 HydrophobicContact CG-SD 4.22Å; Q72-M76 VanDerWaalsContact O-CG 3.28Å; Q72-M76 WeakPolarHBondContact O-CG 3.3Å; Q72-M76 PolarHBondContact O-N 2.86Å
73K87.3Confident78.9Confident145 Ų14586.1 Ų86.163%0.6346%0.463SS*.Hα-helixtrans-61.7-40.9176.2-176178.3-65.3-172.70112.7S69 H70 A71 R77S69-K73 PolarHBondContact O-N 3.29Å; S69-K73 VanDerWaalsContact O-N 3.13Å; H70-K73 PolarHBondContact O-N 3.36Å; A71-K73 PolarHBondContact O-N 3.25Å; K73-R77 PolarHBondContact O-N 3.02Å; K73-R77 VanDerWaalsContact O-N 3.13Å
74Y86.9Confident77.3Confident54 Ų5491 Ų9121%0.21249%0.488CS..Hα-helixtrans-64.5-47177.8178.8-95000111.3H36 F39 L40 L43 H70 A71 Q72 R77 H78H36-Y74 AromaticContact CE1-CD2 3.57Å; H36-Y74 AromaticContact CE1-CE2 3.68Å; H36-Y74 AromaticContact NE2-CE2 3.93Å; F39-Y74 HydrophobicContact CE1-CD1 4.18Å; F39-Y74 HydrophobicContact CE1-CG 4.05Å; L40-Y74 HydrophobicContact CD2-CD2 4.47Å; L40-Y74 HydrophobicContact CD2-CE1 3.98Å; L40-Y74 HydrophobicContact CD2-CE2 3.77Å; L43-Y74 HydrophobicContact CD1-CD1 4.29Å; L43-Y74 HydrophobicContact CD1-CE1 4.31Å; H70-Y74 VanDerWaalsContact O-CB 3.23Å; H70-Y74 WeakPolarHBondContact O-CB 3.4Å; H70-Y74 PolarHBondContact O-N 2.86Å; A71-Y74 PolarHBondContact O-N 3.15Å; Q72-Y74 PolarHBondContact O-N 3.08Å; Y74-R77 PolarHBondContact O-N 3.15Å; Y74-H78 HydrophobicContact CD1-CB 4.39Å; Y74-H78 HydrophobicContact CE1-CB 4Å; Y74-H78 WeakPolarHBondContact O-CB 3.33Å; Y74-H78 PolarHBondContact O-N 3.18Å
75F84.2Confident75.9Confident57 Ų5798.6 Ų98.625%0.2552%0.516CS..Hα-helixtrans-64.9-41177.3-65.8-48000112.1L43 R48 W51 A71 Q72 R77 H78 N79L43-F75 HydrophobicContact CD1-CE1 4.31Å; L43-F75 HydrophobicContact CD1-CZ 4.32Å; L43-F75 HydrophobicContact CD2-CE1 4.5Å; L43-F75 HydrophobicContact CD2-CZ 3.82Å; R48-F75 HydrophobicContact CB-CZ 4.24Å; R48-F75 HydrophobicContact CG-CE1 4.38Å; R48-F75 HydrophobicContact CG-CZ 3.88Å; W51-F75 AromaticContact CH2-CE2 3.72Å; W51-F75 HydrophobicContact CH2-CE2 3.72Å; W51-F75 AromaticContact CH2-CZ 3.99Å; W51-F75 HydrophobicContact CH2-CZ 3.99Å; W51-F75 HydrophobicContact CZ2-CE2 4.19Å; A71-F75 HydrophobicContact CB-CD2 4.37Å; A71-F75 HydrophobicContact CB-CE2 3.98Å; A71-F75 WeakPolarHBondContact O-CB 3.49Å; A71-F75 WeakPolarHBondContact O-CD2 3.46Å; A71-F75 VanDerWaalsContact O-CG 3.3Å; A71-F75 WeakPolarHBondContact O-CG 3.47Å; A71-F75 PolarHBondContact O-N 2.67Å; Q72-F75 PolarHBondContact O-N 2.86Å; F75-R77 VanDerWaalsContact C-N 3.35Å; F75-R77 PolarHBondContact O-N 3.4Å; F75-H78 PolarHBondContact O-N 3.31Å; F75-N79 WeakPolarHBondContact O-CB 3.31Å; F75-N79 PolarHBondContact O-N 3.31Å
76M79.6Confident74.3Confident121 Ų121104.2 Ų104.260%0.59653%0.525SS*.Hα-helixtrans-53.6-51.4173.1-74.8167.1167.700111.1Q72 S80Q72-M76 HydrophobicContact CG-CE 3.92Å; Q72-M76 HydrophobicContact CG-SD 4.22Å; Q72-M76 VanDerWaalsContact O-CG 3.28Å; Q72-M76 WeakPolarHBondContact O-CG 3.3Å; Q72-M76 PolarHBondContact O-N 2.86Å; M76-S80 PolarHBondContact O-OG 3.24Å
77R78.2Confident72.9Confident219 Ų219111.8 Ų111.883%0.82655%0.55SS**Hα-helixtrans-70.3-37.2179.6-170.1179.4-177.4-140.20.4113.6K73 Y74 F75K73-R77 PolarHBondContact O-N 3.02Å; K73-R77 VanDerWaalsContact O-N 3.13Å; Y74-R77 PolarHBondContact O-N 3.15Å; F75-R77 VanDerWaalsContact C-N 3.35Å; F75-R77 PolarHBondContact O-N 3.4Å
78H71.5Confident71Confident119 Ų119117.8 Ų117.855%0.55159%0.592SS**Hα-helixtrans-76.3-36.3-175.3-173.256.8000112.1Y74 F75 S80 G81Y74-H78 HydrophobicContact CD1-CB 4.39Å; Y74-H78 HydrophobicContact CE1-CB 4Å; Y74-H78 WeakPolarHBondContact O-CB 3.33Å; Y74-H78 PolarHBondContact O-N 3.18Å; F75-H78 PolarHBondContact O-N 3.31Å; H78-S80 VanDerWaalsContact C-N 3.26Å; H78-S80 PolarHBondContact O-N 2.69Å; H78-G81 PolarHBondContact O-N 2.76Å; H78-G81 VanDerWaalsContact O-N 3.09Å
79N62.5Low69.6Low142 Ų142117.9 Ų117.976%0.75960%0.595SS**Hα-helixtrans-73.3-18.3179.2-15493.6000112.7F75 G81F75-N79 WeakPolarHBondContact O-CB 3.31Å; F75-N79 PolarHBondContact O-N 3.31Å; N79-G81 VanDerWaalsContact C-N 3.26Å; N79-G81 PolarHBondContact O-N 2.75Å
80S56.3Low68.1Low87 Ų87121.8 Ų121.861%0.60861%0.609SS**THydrogen-bonded Turntrans-73-11.2167.5-56.40000114M76 H78 G82M76-S80 PolarHBondContact O-OG 3.24Å; H78-S80 VanDerWaalsContact C-N 3.26Å; H78-S80 PolarHBondContact O-N 2.69Å; S80-G82 PolarHBondContact O-N 3.24Å
81G53.8Low66.6Low74 Ų74127.8 Ų127.876%0.76364%0.637SS**SBendtrans-73.927.8-177.900000115.3H78 N79H78-G81 PolarHBondContact O-N 2.76Å; H78-G81 VanDerWaalsContact O-N 3.09Å; N79-G81 VanDerWaalsContact C-N 3.26Å; N79-G81 PolarHBondContact O-N 2.75Å
82G55.2Low64.9Low61 Ų61133 Ų13363%0.62966%0.664SS**SBendtrans-103.5-68.7-163.700000116S80S80-G82 PolarHBondContact O-N 3.24Å
83K54.1Low63.2Low193 Ų193135.5 Ų135.584%0.83968%0.68SS**SBendtrans-141.4-14.2-159.7-67.8-171.3175.8-177.70117K85K83-K85 PolarHBondContact O-N 2.87Å
84D52.9Low61.3Low144 Ų144134.7 Ų134.777%0.7769%0.687SS**  trans-8579.4-160.9-60.7-79.9000114.3R86D84-R86 PolarHBondContact O-N 3.49Å; D84-R86 VanDerWaalsContact O-N 3.09Å
85K56.5Low59.6Low207 Ų207137.7 Ų137.790%0.971%0.712SS**  trans-78.522.4-177.3-165.6153178.4171.80114.4K83K83-K85 PolarHBondContact O-N 2.87Å
86R55.3Low57.7Low222 Ų222141.1 Ų141.184%0.83874%0.737SS**SBendtrans-135.6118.3-176.1-57.1-169.288.3178.45.3112.9D84D84-R86 PolarHBondContact O-N 3.49Å; D84-R86 VanDerWaalsContact O-N 3.09Å
87R59.6Low56.3Low236 Ų236144 Ų14489%0.89175%0.746SS**  trans67.985.9165-153175.5-151.9159.15.7116.5S89R87-S89 PolarHBondContact O-N 2.84Å
88S49.8Very low54.9Low125 Ų125141.1 Ų141.187%0.87475%0.746SS**  trans-57.7124.6158.351.80000110.8
89S60.3Low53.4Low61 Ų61140.2 Ų140.243%0.42775%0.753SS.*  trans-118.5156.6174.2147.60000109.8R87 H91 D92R87-S89 PolarHBondContact O-N 2.84Å; S89-H91 PolarHBondContact OG-N 2.73Å; S89-D92 WeakPolarHBondContact CB-OD1 3.03Å; S89-D92 PolarHBondContact OG-OD1 3.1Å
90I59.7Low52.7Low152 Ų152140.8 Ų140.878%0.77976%0.756SS**SBendtrans-93.5-0.5-176.9-162.5168.2000112.5
91H57.3Low52.5Low153 Ų153142.6 Ų142.671%0.70876%0.759SS**  trans-126.127.8-168.9-59.8123.8000114S89 I93S89-H91 PolarHBondContact OG-N 2.73Å; H91-I93 PolarHBondContact O-N 3.45Å
92D52.8Low52.2Low110 Ų110147.1 Ų147.159%0.58876%0.76SS**  trans-78.764.6-165.1-61.6-15.9000113.7S89S89-D92 WeakPolarHBondContact CB-OD1 3.03Å; S89-D92 PolarHBondContact OG-OD1 3.1Å
93I52.9Low52.1Low163 Ų163151 Ų15184%0.83677%0.766SS**  trans-114.468.8169.8-50.5177.7000107.8H91H91-I93 PolarHBondContact O-N 3.45Å
94T49Very low51.6Low128 Ų128149.9 Ų149.979%0.78577%0.765SS**  trans-90.6111.9-178.3-53.50000111.5
95T50.3Low51.7Low118 Ų118147.1 Ų147.172%0.72475%0.754SS**  trans-93.4133.2162.7-166.20000110
96V44.7Very low51.6Low128 Ų128142.5 Ų142.578%0.77675%0.746SS**  trans34.892.6165.3-650000120.3
97K49.9Very low51.3Low183 Ų183136.7 Ų136.780%0.79674%0.739SS**  trans-157.1101.3140.8-148154.6-175.51680108.7
98L49.7Very low50.7Low157 Ų157131.2 Ų131.282%0.82274%0.737SS**  67.4128.785.8-69.6164.5000113.4
99S39.1Very low51Low101 Ų101131 Ų13171%0.70673%0.733SS**  trans-64.4177.6170-37.10000111.9
100D48.3Very low50.4Low153 Ų153133.2 Ų133.282%0.81875%0.748SS**  cis-147.816713.3-6597.1000107.9
101D51.2Low49.9Very low125 Ų125134.8 Ų134.867%0.66875%0.752SS**  cis-168.8165.9-28.2-178.7-147.2000107.4
102Q48.3Very low49.1Very low169 Ų169133.5 Ų133.579%0.7976%0.76SS**  trans63.6121.1167.8-37.3-165.64.700118.3
103D51.9Low48.7Very low142 Ų142133.2 Ų133.276%0.75977%0.767SS**  cis-145-123.7-13.5-164.75.9000109.1P105D103-P105 VanDerWaalsContact OD2-CD 3.22Å; D103-P105 WeakPolarHBondContact OD2-CD 3.22Å
104Q44.2Very low48.3Very low171 Ų171132.8 Ų132.880%0.79977%0.765SS**  cis-141.7141.1-4.7-167.9175.958.200111.1
105P54.8Low48.6Very low86 Ų86134 Ų13456%0.55877%0.765SS**  trans-108.7179.4178.742.1-37.1000113.1D103D103-P105 VanDerWaalsContact OD2-CD 3.22Å; D103-P105 WeakPolarHBondContact OD2-CD 3.22Å
106P54.8Low48.5Very low110 Ų110133.7 Ų133.771%0.71476%0.763SS**  cis-132.8-164.3-22.726.7-2.8000113.2
107S49.8Very low48.7Very low99 Ų99133.4 Ų133.469%0.69276%0.758SS**  trans60.5109.7144.855.10000121
108S46.8Very low48.9Very low122 Ų122132.3 Ų132.385%0.85376%0.755SS**  trans-70.5144.3144-44.90000110.5
109P55.6Low49.3Very low121 Ų121134.6 Ų134.679%0.78676%0.759SS**  -126.5158.8128.436.3-30.5000112.2
110S48.1Very low50.1Low106 Ų106136.4 Ų136.474%0.74176%0.761SS**  trans-75.3129173.6-179.20000111
111Q48.5Very low50.1Low186 Ų186136.6 Ų136.687%0.86976%0.757SS**  trans175.1109.4136.5-96.8152.6113.100110.4
112S40Very low50.3Low126 Ų126137.3 Ų137.388%0.88176%0.76SS**  trans-9099.6170.9-580000109.7
113S44.6Very low50.6Low104 Ų104133.1 Ų133.173%0.72775%0.754SS**  trans-163.4130.6168.3-84.20000112.8
114L45.1Very low50.6Low153 Ų153134.3 Ų134.380%0.80176%0.76SS**  trans72.5131.9152.6-61.9165.8000119.7
115I54.5Low51.2Low154 Ų154132.2 Ų132.279%0.7976%0.759SS**  trans62.2154.9149.767.2163.9000121.2
116T48.7Very low51.4Low111 Ų111134.3 Ų134.368%0.68177%0.772SS**  cis-173.7155.4-31.6-87.80000107
117D49.4Very low51.4Low123 Ų123132.7 Ų132.766%0.65878%0.775SS**  trans68.5128.1165-83.4-163.3000118.4
118Q53.6Low52Low160 Ų160133.1 Ų133.175%0.74879%0.785SS**  94.476.559.2-78.8-168.673.100113.8
119F58.2Low52.9Low204 Ų204132.1 Ų132.190%0.89578%0.784SS**  trans-168.5153.9138.647-103000107.5
120N55.8Low52.9Low140 Ų140133 Ų13375%0.74978%0.782SS**  cis-139.5159.824.6-172.176.6000112.8
121E49.1Very low53.7Low157 Ų157132.4 Ų132.473%0.73478%0.778SS**  trans-80.5-172.4178.2-157.5-171.689.300112.8
122L55.1Low54.4Low139 Ų139129.4 Ų129.473%0.72878%0.775SS**  trans79.5132.6168.4-48.7175.5000115.5
123A54.8Low55.8Low82 Ų82129.3 Ų129.368%0.67877%0.774SS**  cis-149.9140.46.400000114.5
124L50.6Low56.5Low166 Ų166134.7 Ų134.787%0.86980%0.795SS**  trans45.2126.3151.2-74.781.7000121.7
125T57.9Low57.1Low128 Ų128133.8 Ų133.879%0.78580%0.795SS**  trans-85.3171.4159.962.40000111.1
126P59Low57.2Low130 Ų130132.7 Ų132.784%0.84480%0.795SS**  -150164.890.239.9-23.7000115.7
127G54.6Low57.7Low75 Ų75133.9 Ų133.977%0.77380%0.801SS**  trans134.2110.4154.300000117.3
128A60.9Low58.1Low108 Ų108134.6 Ų134.689%0.89381%0.81SS**  trans1.3145.8151.100000120.5
129A67.3Low58.4Low102 Ų102133 Ų13384%0.84381%0.814SS**  cis-147.8164.910.700000112.9
130D55.9Low58.4Low139 Ų139128.3 Ų128.374%0.74381%0.808SS**  trans-88.4122.9-178.1-175.6-120.5000113.1
131S63.8Low58.6Low94 Ų94127.4 Ų127.466%0.65781%0.812SS**  trans46.8-169.6132.1-45.20000119.9
132P63.3Low59.4Low122 Ų122125.2 Ų125.279%0.79282%0.818SS**  -124.1155.9-81.836.5-23.1000113.6
133S69.9Low59.7Low125 Ų125124 Ų12487%0.87483%0.826SS**  trans-90.8123.9169.2-148.50000111.5
134N58.7Low60.2Low217 Ų217127.8 Ų127.8100%1.1684%0.84SS**  trans-79.50140.1-174.657.3000109.3

Retrieved 134 of 134 residues in 23.4 ms (Link to these results)