A0A087XWJ6_POEFO Loading...

Lysosomal enzyme trafficking factor

AlphaFold DB , UniProt , Accession A0A087XWJ6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 86 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
1G40.8Very low47.8Very low142 Ų142107 Ų107100%1.46483%0.826SS**  0122.3000000108.3
2G44.4Very low48.2Very low83 Ų83111.3 Ų111.386%0.85683%0.825SS**  trans-173.490.2177.300000107.9
3A44Very low48.5Very low105 Ų105108.3 Ų108.387%0.86882%0.819SS**  trans-99.7123.1-172.800000111
4G53.7Low48.6Very low74 Ų74115.1 Ų115.176%0.76382%0.815SS**  trans71.2162.5149.900000120
5P51.2Low48.5Very low104 Ų104118.7 Ų118.768%0.67581%0.814SS**  cis-124.3114.92.932.5-13.1000113.9S7P5-S7 VanDerWaalsContact C-N 3.3Å; P5-S7 PolarHBondContact O-N 3.17Å; P5-S7 VanDerWaalsContact O-N 3.15Å
6S54.8Low48.6Very low135 Ų135118.7 Ų118.794%0.94481%0.809SS**THydrogen-bonded Turntrans-74.582.5153-58.20000108.6
7S49.8Very low48.6Very low82 Ų82117.4 Ų117.457%0.57380%0.801SS**THydrogen-bonded Turntrans-158.7-8.6172.654.90000115.6P5 G9P5-S7 VanDerWaalsContact C-N 3.3Å; P5-S7 PolarHBondContact O-N 3.17Å; P5-S7 VanDerWaalsContact O-N 3.15Å; S7-G9 VanDerWaalsContact C-N 3.35Å; S7-G9 PolarHBondContact O-N 3.07Å
8A46.1Very low48.8Very low87 Ų87118.1 Ų118.172%0.71980%0.8SS**THydrogen-bonded Turntrans-76.1-16.3-176.300000114.9
9G45.8Very low48.8Very low62 Ų62118.3 Ų118.364%0.63980%0.803SS**THydrogen-bonded Turntrans-85.6-18.4-176.500000115.3S7 L11S7-G9 VanDerWaalsContact C-N 3.35Å; S7-G9 PolarHBondContact O-N 3.07Å; G9-L11 VanDerWaalsContact C-N 3.32Å; G9-L11 PolarHBondContact O-N 2.9Å
10L47.8Very low48.8Very low163 Ų163115.1 Ų115.185%0.85379%0.785SS**THydrogen-bonded Turntrans-83.8-5.6-170.8-148.299000113.7
11L47.7Very low49Very low140 Ų140117.7 Ų117.773%0.73379%0.785SS**THydrogen-bonded Turntrans-101.7-2.6-179.3-69.9173.2000114.1G9 G13 R14G9-L11 VanDerWaalsContact C-N 3.32Å; G9-L11 PolarHBondContact O-N 2.9Å; L11-G13 PolarHBondContact O-N 2.67Å; L11-R14 PolarHBondContact O-N 3.27Å
12I52.8Low49.3Very low158 Ų158118.1 Ų118.181%0.8175%0.753SS**THydrogen-bonded Turntrans-76.121.3166.1-38.3-178.7000110.5
13G51.9Low49.9Very low73 Ų73118.6 Ų118.675%0.75374%0.741SS**THydrogen-bonded Turntrans-97.2-1.8172.100000113.6L11L11-G13 PolarHBondContact O-N 2.67Å
14R49Very low50.5Low203 Ų203119.4 Ų119.477%0.76674%0.738SS**  trans-153.774.4-172.7-165.617697.3143.23.1113L11L11-R14 PolarHBondContact O-N 3.27Å
15E48.1Very low50.6Low169 Ų169119.9 Ų119.979%0.7972%0.722SS**  trans-141.391148.6-64.1-5714900106.6S17E15-S17 PolarHBondContact O-N 3.38Å
16T50.4Low51.4Low119 Ų119117.9 Ų117.973%0.7371%0.709SS**  trans-49.986.5155.441.70000108.2V18T16-V18 PolarHBondContact O-N 3.18Å
17S47.6Very low52.1Low97 Ų97117.2 Ų117.268%0.67870%0.699SS**  trans-71.967.8166.9-165.90000108E15E15-S17 PolarHBondContact O-N 3.38Å
18V53.4Low53.1Low129 Ų129118 Ų11878%0.78269%0.69SS**  trans-88.73.4173.2174.10000109.6T16T16-V18 PolarHBondContact O-N 3.18Å
19S48.6Very low54.5Low122 Ų122114.7 Ų114.785%0.85366%0.662SS**SBendtrans-145.562.3-176.5-154.20000112
20A48.4Very low56Low54 Ų54118.7 Ų118.745%0.44666%0.658SS.*SBendtrans-147.998.2162.700000107.5
21H52.4Low57.5Low170 Ų170113.1 Ų113.179%0.78764%0.635SS**  trans70.190.3172.2-38.4-75.3000112.5P23H21-P23 VanDerWaalsContact C-N 3.29Å; H21-P23 WeakPolarHBondContact O-CD 3.18Å
22L47.7Very low59.1Low151 Ų151107.6 Ų107.679%0.79161%0.609SS**  trans-52.7110.5142.7-81.590.1000104.1L25L22-L25 HydrophobicContact CD2-CD1 4.33Å
23P57.2Low60.5Low93 Ų93104.5 Ų104.560%0.60460%0.597SS**  trans-5413717324.2-31.6000105.2H21 L25H21-P23 VanDerWaalsContact C-N 3.29Å; H21-P23 WeakPolarHBondContact O-CD 3.18Å; P23-L25 WeakPolarHBondContact O-CA 3.25Å; P23-L25 PolarHBondContact O-N 3.31Å
24P55.8Low62Low123 Ų123108.4 Ų108.480%0.79959%0.594SS**  trans-46.5112.4178.119.7-31.3000105.9
25L55.6Low63.7Low84 Ų84102 Ų10244%0.4457%0.574SS.*  trans-49125-167.1-93.6100.8000105.8L22 P23 V27 A29 W30L22-L25 HydrophobicContact CD2-CD1 4.33Å; P23-L25 WeakPolarHBondContact O-CA 3.25Å; P23-L25 PolarHBondContact O-N 3.31Å; L25-V27 PolarHBondContact O-N 2.96Å; L25-A29 HydrophobicContact CB-CB 4.25Å; L25-A29 HydrophobicContact CD2-CB 3.94Å; L25-W30 PolarHBondContact O-NE1 3.22Å
26P68.1Low65.4Low61 Ų6197.7 Ų97.740%0.39656%0.559SS.*  trans-51.4141.1-170.618.8-31000107.7W28 A29P26-W28 CarbonylContact O-C 3.56Å; P26-W28 PolarHBondContact O-N 3.22Å; P26-A29 HydrophobicContact CG-CB 4.14Å; P26-A29 WeakPolarHBondContact O-CA 2.98Å; P26-A29 WeakPolarHBondContact O-CB 3.44Å; P26-A29 PolarHBondContact O-N 2.84Å
27V70.2Confident67Low122 Ų12295.5 Ų95.574%0.73955%0.547SS*.Hα-helixtrans-48.4-30.5-177175.70000111.4L25 W30 A31L25-V27 PolarHBondContact O-N 2.96Å; V27-W30 PolarHBondContact O-N 3.44Å; V27-A31 WeakPolarHBondContact O-CB 3.4Å; V27-A31 PolarHBondContact O-N 3.43Å
28W70.9Confident68.8Low99 Ų9999.8 Ų99.838%0.37555%0.55SS..Hα-helixtrans-57.8-39.7170.6-58.4114.5000116.3P26 A31 S32 F66 S70P26-W28 CarbonylContact O-C 3.56Å; P26-W28 PolarHBondContact O-N 3.22Å; W28-A31 PolarHBondContact O-N 2.73Å; W28-S32 WeakPolarHBondContact O-CB 3.26Å; W28-S32 PolarHBondContact O-N 3.43Å; W28-F66 HydrophobicContact CE3-CE1 4.5Å; W28-F66 AromaticContact CH2-CE1 3.99Å; W28-F66 HydrophobicContact CH2-CE1 3.99Å; W28-F66 HydrophobicContact CH2-CE2 4.25Å; W28-F66 AromaticContact CH2-CZ 3.57Å; W28-F66 HydrophobicContact CH2-CZ 3.57Å; W28-F66 HydrophobicContact CZ3-CD1 4.24Å; W28-F66 AromaticContact CZ3-CE1 3.42Å; W28-F66 HydrophobicContact CZ3-CE1 3.42Å; W28-F66 VanDerWaalsContact CZ3-CE1 3.42Å; W28-F66 HydrophobicContact CZ3-CE2 4.44Å; W28-F66 AromaticContact CZ3-CZ 3.53Å; W28-F66 HydrophobicContact CZ3-CZ 3.53Å; W28-S70 VanDerWaalsContact CE2-CB 3.48Å; W28-S70 VanDerWaalsContact CE3-OG 3.3Å; W28-S70 WeakPolarHBondContact CH2-OG 3.3Å; W28-S70 VanDerWaalsContact CZ2-OG 3.23Å; W28-S70 WeakPolarHBondContact CZ2-OG 3.4Å; W28-S70 WeakPolarHBondContact CZ3-OG 3.13Å
29A74.3Confident70.2Confident17 Ų1795.8 Ų95.814%0.1452%0.523CS..Hα-helixtrans-65.7-44.2175.100000110.6L25 P26 S32 V33L25-A29 HydrophobicContact CB-CB 4.25Å; L25-A29 HydrophobicContact CD2-CB 3.94Å; P26-A29 HydrophobicContact CG-CB 4.14Å; P26-A29 WeakPolarHBondContact O-CA 2.98Å; P26-A29 WeakPolarHBondContact O-CB 3.44Å; P26-A29 PolarHBondContact O-N 2.84Å; A29-S32 WeakPolarHBondContact O-CB 3.5Å; A29-S32 PolarHBondContact O-N 3.47Å; A29-V33 WeakPolarHBondContact O-CG2 3.5Å; A29-V33 PolarHBondContact O-N 3.18Å
30W78.9Confident71.9Confident145 Ų14596.3 Ų96.355%0.54951%0.512SS..Hα-helixtrans-63.6-43.1173.8-67.2101.3000112.1L25 V27 S32 V33 F34L25-W30 PolarHBondContact O-NE1 3.22Å; V27-W30 PolarHBondContact O-N 3.44Å; W30-S32 VanDerWaalsContact C-N 3.3Å; W30-S32 PolarHBondContact O-N 2.8Å; W30-V33 PolarHBondContact O-N 2.89Å; W30-V33 VanDerWaalsContact O-N 3.14Å; W30-F34 PolarHBondContact O-N 2.84Å; W30-F34 VanDerWaalsContact O-N 3.13Å
31A79.1Confident73.8Confident46 Ų4699.2 Ų99.238%0.3852%0.52SS..Hα-helixtrans-58-43.5174.400000111.2V27 W28 V33 F34 L35V27-A31 WeakPolarHBondContact O-CB 3.4Å; V27-A31 PolarHBondContact O-N 3.43Å; W28-A31 PolarHBondContact O-N 2.73Å; A31-V33 PolarHBondContact O-N 3.33Å; A31-F34 PolarHBondContact O-N 3.35Å; A31-L35 WeakPolarHBondContact O-CB 2.97Å; A31-L35 PolarHBondContact O-N 3.31Å
32S79.9Confident75.3Confident25 Ų2596.6 Ų96.618%0.17551%0.506CS..Hα-helixtrans-63.6-39.2175.2-173.80000112.8W28 A29 W30 F34 L35 V36W28-S32 WeakPolarHBondContact O-CB 3.26Å; W28-S32 PolarHBondContact O-N 3.43Å; A29-S32 WeakPolarHBondContact O-CB 3.5Å; A29-S32 PolarHBondContact O-N 3.47Å; W30-S32 VanDerWaalsContact C-N 3.3Å; W30-S32 PolarHBondContact O-N 2.8Å; S32-F34 VanDerWaalsContact C-N 3.27Å; S32-F34 PolarHBondContact O-N 3.28Å; S32-L35 PolarHBondContact O-N 3.38Å; S32-V36 WeakPolarHBondContact O-CB 3.29Å; S32-V36 WeakPolarHBondContact O-CG2 3.5Å; S32-V36 PolarHBondContact O-N 2.91Å
33V83.6Confident76.8Confident93 Ų9391.6 Ų91.656%0.56448%0.48SS*.Hα-helixtrans-63.3-35.6179169.90000111.3A29 W30 A31 P37A29-V33 WeakPolarHBondContact O-CG2 3.5Å; A29-V33 PolarHBondContact O-N 3.18Å; W30-V33 PolarHBondContact O-N 2.89Å; W30-V33 VanDerWaalsContact O-N 3.14Å; A31-V33 PolarHBondContact O-N 3.33Å; V33-P37 WeakPolarHBondContact O-CD 3.3Å; V33-P37 VanDerWaalsContact O-CG 3.3Å; V33-P37 WeakPolarHBondContact O-CG 3.39Å
34F83.9Confident78Confident155 Ų15593.8 Ų93.868%0.6848%0.48SS*.Hα-helixtrans-80.3-33.4172.9-87.9-83000113.3W30 A31 S32 P37W30-F34 PolarHBondContact O-N 2.84Å; W30-F34 VanDerWaalsContact O-N 3.13Å; A31-F34 PolarHBondContact O-N 3.35Å; S32-F34 VanDerWaalsContact C-N 3.27Å; S32-F34 PolarHBondContact O-N 3.28Å; F34-P37 WeakPolarHBondContact O-CD 2.97Å; F34-P37 WeakPolarHBondContact O-CG 3.48Å
35L83.9Confident79.4Confident68 Ų6892.8 Ų92.836%0.35647%0.468SS..Hα-helixtrans-75.9-38.7-175.2-16569.2000112.5A31 S32 Y38 L39 V63 L67A31-L35 WeakPolarHBondContact O-CB 2.97Å; A31-L35 PolarHBondContact O-N 3.31Å; S32-L35 PolarHBondContact O-N 3.38Å; L35-Y38 WeakPolarHBondContact O-CB 3.26Å; L35-Y38 PolarHBondContact O-N 2.82Å; L35-L39 VanDerWaalsContact O-CB 3.26Å; L35-L39 WeakPolarHBondContact O-CB 3.16Å; L35-L39 PolarHBondContact O-N 2.96Å; L35-V63 HydrophobicContact CD2-CG1 3.33Å; L35-V63 HydrophobicContact CG-CG1 4.29Å; L35-L67 HydrophobicContact CD2-CD1 4.04Å; L35-L67 HydrophobicContact CD2-CD2 4.43Å; L35-L67 HydrophobicContact CD2-CG 4.43Å
36V82.6Confident80.3Confident79 Ų7991.5 Ų91.548%0.47946%0.459SS..Hα-helixtrans-56.5-52.3178.7167.70000113.1S32 Y38 L39 Q40S32-V36 WeakPolarHBondContact O-CB 3.29Å; S32-V36 WeakPolarHBondContact O-CG2 3.5Å; S32-V36 PolarHBondContact O-N 2.91Å; V36-Y38 VanDerWaalsContact C-N 3.27Å; V36-Y38 PolarHBondContact O-N 3.2Å; V36-L39 PolarHBondContact O-N 3.37Å; V36-Q40 WeakPolarHBondContact O-CB 2.93Å; V36-Q40 PolarHBondContact O-N 2.93Å
37P85.5Confident80.7Confident73 Ų7392.1 Ų92.147%0.47447%0.465SS..Hα-helixtrans-64.7-33.4178.524.4-33.4000112V33 F34 Q40 L41V33-P37 WeakPolarHBondContact O-CD 3.3Å; V33-P37 VanDerWaalsContact O-CG 3.3Å; V33-P37 WeakPolarHBondContact O-CG 3.39Å; F34-P37 WeakPolarHBondContact O-CD 2.97Å; F34-P37 WeakPolarHBondContact O-CG 3.48Å; P37-Q40 PolarHBondContact O-N 3.11Å; P37-L41 PolarHBondContact O-N 3.36Å
38Y84.9Confident80.8Confident187 Ų18790.5 Ų90.573%0.73346%0.458SS*.Hα-helixtrans-66.8-43.2175.3-134.4-86.5000111.9L35 V36 L41 F42L35-Y38 WeakPolarHBondContact O-CB 3.26Å; L35-Y38 PolarHBondContact O-N 2.82Å; V36-Y38 VanDerWaalsContact C-N 3.27Å; V36-Y38 PolarHBondContact O-N 3.2Å; Y38-L41 PolarHBondContact O-N 3.39Å; Y38-F42 WeakPolarHBondContact O-CB 3.38Å; Y38-F42 PolarHBondContact O-N 2.69Å
39L82.7Confident81Confident44 Ų4491.3 Ų91.323%0.2347%0.474CS..Hα-helixtrans-64.4-43.9176-165.163.8000110L35 V36 L41 F42 L43 V60L35-L39 VanDerWaalsContact O-CB 3.26Å; L35-L39 WeakPolarHBondContact O-CB 3.16Å; L35-L39 PolarHBondContact O-N 2.96Å; V36-L39 PolarHBondContact O-N 3.37Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 3.04Å; L39-F42 PolarHBondContact O-N 3.11Å; L39-L43 HydrophobicContact CB-CD1 4.49Å; L39-L43 HydrophobicContact CD1-CD1 3.96Å; L39-L43 HydrophobicContact CG-CD1 3.61Å; L39-L43 WeakPolarHBondContact O-CD1 3.4Å; L39-L43 PolarHBondContact O-N 3.42Å; L39-V60 HydrophobicContact CD1-CG2 4.14Å; L39-V60 HydrophobicContact CD2-CG1 4.18Å; L39-V60 HydrophobicContact CD2-CG2 4.34Å; L39-V60 HydrophobicContact CG-CG2 4.43Å
40Q84.7Confident80.4Confident133 Ų13398 Ų9862%0.62150%0.496SS*.Hα-helixtrans-58.4-44.6174.8-167.573.937.100111.6V36 P37 L43 F44V36-Q40 WeakPolarHBondContact O-CB 2.93Å; V36-Q40 PolarHBondContact O-N 2.93Å; P37-Q40 PolarHBondContact O-N 3.11Å; Q40-L43 PolarHBondContact O-N 3.23Å; Q40-F44 VanDerWaalsContact O-CB 3.26Å; Q40-F44 WeakPolarHBondContact O-CB 3.4Å; Q40-F44 PolarHBondContact O-N 3.43Å
41L88.4Confident79.9Confident116 Ų11695.5 Ų95.561%0.60751%0.506SS*.Hα-helixtrans-63-44176.3-136.792.3000110.9P37 Y38 L39 F44 L45P37-L41 PolarHBondContact O-N 3.36Å; Y38-L41 PolarHBondContact O-N 3.39Å; L39-L41 VanDerWaalsContact C-N 3.34Å; L39-L41 PolarHBondContact O-N 3.04Å; L41-F44 WeakPolarHBondContact O-CB 3.44Å; L41-F44 PolarHBondContact O-N 3.4Å; L41-L45 HydrophobicContact CD2-CD1 4.13Å; L41-L45 HydrophobicContact CG-CD1 4.09Å; L41-L45 WeakPolarHBondContact O-CD1 3.2Å; L41-L45 PolarHBondContact O-N 2.8Å
42F83.2Confident79.2Confident114 Ų11496.9 Ų96.950%0.551%0.507SS..Hα-helixtrans-63.1-46.8178.4-169.8-93000111.5Y38 L39 F44 L45 F46Y38-F42 WeakPolarHBondContact O-CB 3.38Å; Y38-F42 PolarHBondContact O-N 2.69Å; L39-F42 PolarHBondContact O-N 3.11Å; F42-F44 VanDerWaalsContact C-N 3.29Å; F42-F44 PolarHBondContact O-N 2.99Å; F42-L45 PolarHBondContact O-N 2.86Å; F42-F46 HydrophobicContact CE1-CD2 4.31Å; F42-F46 WeakPolarHBondContact O-CB 3.32Å; F42-F46 PolarHBondContact O-N 2.91Å
43L79.1Confident78.6Confident47 Ų47100.6 Ų100.625%0.24653%0.53CS..Hα-helixtrans-61.3-38.7173.7-88.293.7000111.4L39 Q40 F46 S47 V56 V60L39-L43 HydrophobicContact CB-CD1 4.49Å; L39-L43 HydrophobicContact CD1-CD1 3.96Å; L39-L43 HydrophobicContact CG-CD1 3.61Å; L39-L43 WeakPolarHBondContact O-CD1 3.4Å; L39-L43 PolarHBondContact O-N 3.42Å; Q40-L43 PolarHBondContact O-N 3.23Å; L43-F46 PolarHBondContact O-N 3.36Å; L43-S47 VanDerWaalsContact O-CB 3.25Å; L43-S47 WeakPolarHBondContact O-CB 3.3Å; L43-S47 PolarHBondContact O-N 3.15Å; L43-S47 PolarHBondContact O-OG 3.45Å; L43-V56 HydrophobicContact CD1-CG1 4.43Å; L43-V56 HydrophobicContact CD2-CG1 3.43Å; L43-V56 VanDerWaalsContact CD2-CG1 3.43Å; L43-V56 HydrophobicContact CG-CG1 3.69Å; L43-V60 HydrophobicContact CD1-CG2 3.88Å
44F83.1Confident78.1Confident138 Ų138105 Ų10561%0.60554%0.537SS*.Hα-helixtrans-65-52.4177.8-178.5-100.2000111.1Q40 L41 F42 F46 S47 C48Q40-F44 VanDerWaalsContact O-CB 3.26Å; Q40-F44 WeakPolarHBondContact O-CB 3.4Å; Q40-F44 PolarHBondContact O-N 3.43Å; L41-F44 WeakPolarHBondContact O-CB 3.44Å; L41-F44 PolarHBondContact O-N 3.4Å; F42-F44 VanDerWaalsContact C-N 3.29Å; F42-F44 PolarHBondContact O-N 2.99Å; F44-F46 PolarHBondContact O-N 3.48Å; F44-S47 PolarHBondContact O-N 2.76Å; F44-C48 WeakPolarHBondContact O-CB 3.34Å; F44-C48 PolarHBondContact O-N 2.94Å; F44-C48 PolarHBondContact O-SG 3.26Å
45L83.9Confident77.6Confident103 Ų10399.2 Ų99.254%0.53952%0.518SS..Hα-helixtrans-57-41.7174.7-89.592.9000111.5L41 F42 C48 T49L41-L45 HydrophobicContact CD2-CD1 4.13Å; L41-L45 HydrophobicContact CG-CD1 4.09Å; L41-L45 WeakPolarHBondContact O-CD1 3.2Å; L41-L45 PolarHBondContact O-N 2.8Å; F42-L45 PolarHBondContact O-N 2.86Å; L45-C48 WeakPolarHBondContact O-CB 3.49Å; L45-C48 PolarHBondContact O-N 3.38Å; L45-T49 PolarHBondContact O-N 2.88Å; L45-T49 VanDerWaalsContact O-N 3.11Å; L45-T49 PolarHBondContact O-OG1 2.95Å
46F74.9Confident77.2Confident56 Ų5697 Ų9725%0.24651%0.507CS..Hα-helixtrans-69.9-43.4180-155.6-87.7000111.4F42 L43 F44 C48 T49 R50 A55 V56F42-F46 HydrophobicContact CE1-CD2 4.31Å; F42-F46 WeakPolarHBondContact O-CB 3.32Å; F42-F46 PolarHBondContact O-N 2.91Å; L43-F46 PolarHBondContact O-N 3.36Å; F44-F46 PolarHBondContact O-N 3.48Å; F46-C48 PolarHBondContact O-N 2.82Å; F46-T49 CarbonylContact O-C 3.57Å; F46-T49 PolarHBondContact O-N 3.04Å; F46-T49 PolarHBondContact O-OG1 2.79Å; F46-R50 HydrophobicContact CD1-CB 4.07Å; F46-R50 HydrophobicContact CE1-CB 3.7Å; F46-R50 HydrophobicContact CZ-CB 4.15Å; F46-R50 CarbonylContact O-C 3.28Å; F46-R50 VanDerWaalsContact O-C 3.28Å; F46-R50 WeakPolarHBondContact O-CA 3.47Å; F46-R50 PolarHBondContact O-N 3.19Å; F46-A55 HydrophobicContact CE1-CB 4.35Å; F46-A55 HydrophobicContact CZ-CB 4.49Å; F46-V56 HydrophobicContact CB-CG2 4.34Å; F46-V56 HydrophobicContact CD1-CG2 3.46Å; F46-V56 VanDerWaalsContact CD1-CG2 3.46Å; F46-V56 HydrophobicContact CE1-CG2 4.01Å; F46-V56 HydrophobicContact CG-CG2 4.08Å
47S76Confident77.1Confident75 Ų7595 Ų9552%0.52450%0.503SS..Hα-helixtrans-62.3-32.8172.9-75.60000112.3L43 F44 T49L43-S47 VanDerWaalsContact O-CB 3.25Å; L43-S47 WeakPolarHBondContact O-CB 3.3Å; L43-S47 PolarHBondContact O-N 3.15Å; L43-S47 PolarHBondContact O-OG 3.45Å; F44-S47 PolarHBondContact O-N 2.76Å; S47-T49 VanDerWaalsContact C-N 3.31Å
48C72.6Confident76.9Confident88 Ų8899.4 Ų99.460%0.59551%0.511SS*.Hα-helixtrans-70.9-22.4173.7-69.90000113.5F44 L45 F46F44-C48 WeakPolarHBondContact O-CB 3.34Å; F44-C48 PolarHBondContact O-N 2.94Å; F44-C48 PolarHBondContact O-SG 3.26Å; L45-C48 WeakPolarHBondContact O-CB 3.49Å; L45-C48 PolarHBondContact O-N 3.38Å; F46-C48 PolarHBondContact O-N 2.82Å
49T76.1Confident76.4Confident115 Ų11594.2 Ų94.271%0.70650%0.501SS*.Hα-helixtrans-113.8-23.6-176.741.30000114.8L45 F46 S47L45-T49 PolarHBondContact O-N 2.88Å; L45-T49 VanDerWaalsContact O-N 3.11Å; L45-T49 PolarHBondContact O-OG1 2.95Å; F46-T49 CarbonylContact O-C 3.57Å; F46-T49 PolarHBondContact O-N 3.04Å; F46-T49 PolarHBondContact O-OG1 2.79Å; S47-T49 VanDerWaalsContact C-N 3.31Å
50R61.3Low76.3Confident159 Ų15993.6 Ų93.660%0.650%0.499SS*.  trans-152.1106.6177.2-93.3-139.8-171.9-176.65.3109F46 D52F46-R50 HydrophobicContact CD1-CB 4.07Å; F46-R50 HydrophobicContact CE1-CB 3.7Å; F46-R50 HydrophobicContact CZ-CB 4.15Å; F46-R50 CarbonylContact O-C 3.28Å; F46-R50 VanDerWaalsContact O-C 3.28Å; F46-R50 WeakPolarHBondContact O-CA 3.47Å; F46-R50 PolarHBondContact O-N 3.19Å; R50-D52 PolarHBondContact O-N 3.43Å
51A68.8Low76.3Confident92 Ų9292 Ų9276%0.7649%0.494SS*.  trans-76.138.5174.400000113.2P53A51-P53 WeakPolarHBondContact O-CD 3.26Å
52D64.8Low76Confident75 Ų7590 Ų9040%0.40149%0.488SS..  trans-103.595.7179.4-152.9-50.8000111.1R50 R54 A55R50-D52 PolarHBondContact O-N 3.43Å; D52-R54 PolarHBondContact O-N 3.34Å; D52-R54 WeakPolarHBondContact OD1-CB 3.41Å; D52-R54 PolarHBondContact OD1-N 2.8Å; D52-A55 PolarHBondContact O-N 3.13Å
53P67.1Low76Confident103 Ų10386.6 Ų86.667%0.66948%0.477SS*.Hα-helixtrans-67.5-19-174.527.9-35.8000112.9A51 G57A51-P53 WeakPolarHBondContact O-CD 3.26Å; P53-G57 PolarHBondContact O-N 2.91Å; P53-G57 VanDerWaalsContact O-N 3.07Å
54R71.8Confident76Confident185 Ų18587.2 Ų87.270%0.69848%0.484SS*.Hα-helixtrans-69.3-44.4179-68.2-91.7-170.1-162.40.7110.8D52 G57 Y58D52-R54 PolarHBondContact O-N 3.34Å; D52-R54 WeakPolarHBondContact OD1-CB 3.41Å; D52-R54 PolarHBondContact OD1-N 2.8Å; R54-G57 PolarHBondContact O-N 3.44Å; R54-Y58 HydrophobicContact CB-CE2 4.39Å; R54-Y58 WeakPolarHBondContact O-CD2 3.06Å; R54-Y58 PolarHBondContact O-N 3.37Å
55A74.5Confident76.1Confident34 Ų3484.9 Ų84.928%0.28148%0.477SS..Hα-helixtrans-65.1-41179.800000112.3F46 D52 Y58 C59F46-A55 HydrophobicContact CE1-CB 4.35Å; F46-A55 HydrophobicContact CZ-CB 4.49Å; D52-A55 PolarHBondContact O-N 3.13Å; A55-Y58 PolarHBondContact O-N 3.49Å; A55-C59 PolarHBondContact O-N 2.95Å
56V74.5Confident76.1Confident21 Ų2185.7 Ų85.713%0.12748%0.477CS..Hα-helixtrans-60.6-45173.3157.40000111.1L43 F46 Y58 C59 V60L43-V56 HydrophobicContact CD1-CG1 4.43Å; L43-V56 HydrophobicContact CD2-CG1 3.43Å; L43-V56 VanDerWaalsContact CD2-CG1 3.43Å; L43-V56 HydrophobicContact CG-CG1 3.69Å; F46-V56 HydrophobicContact CB-CG2 4.34Å; F46-V56 HydrophobicContact CD1-CG2 3.46Å; F46-V56 VanDerWaalsContact CD1-CG2 3.46Å; F46-V56 HydrophobicContact CE1-CG2 4.01Å; F46-V56 HydrophobicContact CG-CG2 4.08Å; V56-Y58 VanDerWaalsContact C-N 3.32Å; V56-Y58 PolarHBondContact O-N 2.86Å; V56-C59 PolarHBondContact O-N 3.4Å; V56-C59 VanDerWaalsContact O-N 3.11Å; V56-V60 HydrophobicContact CG1-CG2 4.09Å; V56-V60 VanDerWaalsContact O-CG2 3.26Å; V56-V60 WeakPolarHBondContact O-CG2 3.38Å; V56-V60 PolarHBondContact O-N 3.37Å
57G80.4Confident76.1Confident38 Ų3884.5 Ų84.539%0.39247%0.473SS..Hα-helixtrans-56.5-44.4177.700000112.6P53 R54 C59 V60 L61P53-G57 PolarHBondContact O-N 2.91Å; P53-G57 VanDerWaalsContact O-N 3.07Å; R54-G57 PolarHBondContact O-N 3.44Å; G57-C59 VanDerWaalsContact C-N 3.33Å; G57-C59 PolarHBondContact O-N 2.92Å; G57-V60 PolarHBondContact O-N 3.27Å; G57-L61 VanDerWaalsContact O-CB 3.3Å; G57-L61 WeakPolarHBondContact O-CB 3.42Å; G57-L61 PolarHBondContact O-N 2.9Å
58Y81.9Confident76.3Confident164 Ų16485 Ų8564%0.64347%0.469SS*.Hα-helixtrans-65.8-31.4177.3-65-59.4000113.6R54 A55 V56 P62R54-Y58 HydrophobicContact CB-CE2 4.39Å; R54-Y58 WeakPolarHBondContact O-CD2 3.06Å; R54-Y58 PolarHBondContact O-N 3.37Å; A55-Y58 PolarHBondContact O-N 3.49Å; V56-Y58 VanDerWaalsContact C-N 3.32Å; V56-Y58 PolarHBondContact O-N 2.86Å; Y58-P62 WeakPolarHBondContact O-CD 3.29Å
59C74.6Confident76.4Confident79 Ų7983.4 Ų83.453%0.53446%0.458SS..Hα-helixtrans-77.6-34.5175.7-76.80000113.1A55 V56 G57 P62A55-C59 PolarHBondContact O-N 2.95Å; V56-C59 PolarHBondContact O-N 3.4Å; V56-C59 VanDerWaalsContact O-N 3.11Å; G57-C59 VanDerWaalsContact C-N 3.33Å; G57-C59 PolarHBondContact O-N 2.92Å; C59-P62 WeakPolarHBondContact O-CD 3.34Å; C59-P62 VanDerWaalsContact O-CG 3.31Å; C59-P62 WeakPolarHBondContact O-CG 3.22Å
60V80.8Confident76.3Confident30 Ų3078.1 Ų78.118%0.18243%0.426CS..Hα-helixtrans-76.4-35.1-179.91730000111.3L39 L43 V56 G57 V63 C64L39-V60 HydrophobicContact CD1-CG2 4.14Å; L39-V60 HydrophobicContact CD2-CG1 4.18Å; L39-V60 HydrophobicContact CD2-CG2 4.34Å; L39-V60 HydrophobicContact CG-CG2 4.43Å; L43-V60 HydrophobicContact CD1-CG2 3.88Å; V56-V60 HydrophobicContact CG1-CG2 4.09Å; V56-V60 VanDerWaalsContact O-CG2 3.26Å; V56-V60 WeakPolarHBondContact O-CG2 3.38Å; V56-V60 PolarHBondContact O-N 3.37Å; G57-V60 PolarHBondContact O-N 3.27Å; V60-V63 PolarHBondContact O-N 3.5Å; V60-C64 WeakPolarHBondContact CG1-SG 3.31Å; V60-C64 PolarHBondContact O-N 3.46Å; V60-C64 PolarHBondContact O-SG 2.77Å; V60-C64 VanDerWaalsContact O-SG 3.38Å
61L84.6Confident76.7Confident99 Ų9978.4 Ų78.452%0.51843%0.427SS..Hα-helixtrans-52.6-50.8-179.1-168.269.4000114.7G57 V63 C64 I65G57-L61 VanDerWaalsContact O-CB 3.3Å; G57-L61 WeakPolarHBondContact O-CB 3.42Å; G57-L61 PolarHBondContact O-N 2.9Å; L61-V63 VanDerWaalsContact C-N 3.3Å; L61-V63 PolarHBondContact O-N 3.31Å; L61-C64 PolarHBondContact O-N 3.38Å; L61-I65 HydrophobicContact CD1-CD1 4.37Å; L61-I65 HydrophobicContact CG-CD1 4.02Å; L61-I65 WeakPolarHBondContact O-CB 3.44Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.33Å; L61-I65 PolarHBondContact O-N 2.71Å
62P81.8Confident76.8Confident74 Ų7482.7 Ų82.748%0.48142%0.424SS..Hα-helixtrans-63.4-36.5179.824.1-34.7000112.3Y58 C59 I65 F66Y58-P62 WeakPolarHBondContact O-CD 3.29Å; C59-P62 WeakPolarHBondContact O-CD 3.34Å; C59-P62 VanDerWaalsContact O-CG 3.31Å; C59-P62 WeakPolarHBondContact O-CG 3.22Å; P62-I65 PolarHBondContact O-N 3.14Å; P62-F66 WeakPolarHBondContact O-CB 3.39Å; P62-F66 PolarHBondContact O-N 3.39Å
63V82.5Confident76.8Confident43 Ų4385.3 Ų85.326%0.26144%0.438SS..Hα-helixtrans-67.7-44.9177.6-179.70000110.8L35 V60 L61 I65 F66 L67L35-V63 HydrophobicContact CD2-CG1 3.33Å; L35-V63 HydrophobicContact CG-CG1 4.29Å; V60-V63 PolarHBondContact O-N 3.5Å; L61-V63 VanDerWaalsContact C-N 3.3Å; L61-V63 PolarHBondContact O-N 3.31Å; V63-I65 PolarHBondContact O-N 3Å; V63-F66 PolarHBondContact O-N 3.28Å; V63-L67 HydrophobicContact CG1-CD1 4.33Å; V63-L67 WeakPolarHBondContact O-CB 3.36Å; V63-L67 WeakPolarHBondContact O-CG 3.48Å; V63-L67 PolarHBondContact O-N 2.9Å
64C79.7Confident76.5Confident61 Ų6181.9 Ų81.941%0.41242%0.418SS..Hα-helixtrans-63-40.8175.6-70.60000112.2V60 L61 L67 L68V60-C64 WeakPolarHBondContact CG1-SG 3.31Å; V60-C64 PolarHBondContact O-N 3.46Å; V60-C64 PolarHBondContact O-SG 2.77Å; V60-C64 VanDerWaalsContact O-SG 3.38Å; L61-C64 PolarHBondContact O-N 3.38Å; C64-L67 PolarHBondContact O-N 3.13Å; C64-L68 VanDerWaalsContact O-CB 3.22Å; C64-L68 WeakPolarHBondContact O-CB 3.49Å; C64-L68 PolarHBondContact O-N 2.83Å
65I84.9Confident75.7Confident88 Ų8879 Ų7945%0.45142%0.423SS..Hα-helixtrans-64.1-47.1176.2-70.6174.8000110.2L61 P62 V63 L67 L68 C69L61-I65 HydrophobicContact CD1-CD1 4.37Å; L61-I65 HydrophobicContact CG-CD1 4.02Å; L61-I65 WeakPolarHBondContact O-CB 3.44Å; L61-I65 VanDerWaalsContact O-CG1 3.29Å; L61-I65 WeakPolarHBondContact O-CG1 3.33Å; L61-I65 PolarHBondContact O-N 2.71Å; P62-I65 PolarHBondContact O-N 3.14Å; V63-I65 PolarHBondContact O-N 3Å; I65-L67 PolarHBondContact O-N 3.31Å; I65-L68 PolarHBondContact O-N 3.42Å; I65-L68 VanDerWaalsContact O-N 3.13Å; I65-C69 WeakPolarHBondContact O-CB 3.45Å; I65-C69 PolarHBondContact O-N 3.25Å; I65-C69 PolarHBondContact O-SG 3.49Å
66F83.7Confident74.8Confident120 Ų12086.3 Ų86.353%0.52645%0.449SS..Hα-helixtrans-57.3-48.5176.9-179.5-109.6000111.5W28 P62 V63 L68 C69 S70W28-F66 HydrophobicContact CE3-CE1 4.5Å; W28-F66 AromaticContact CH2-CE1 3.99Å; W28-F66 HydrophobicContact CH2-CE1 3.99Å; W28-F66 HydrophobicContact CH2-CE2 4.25Å; W28-F66 AromaticContact CH2-CZ 3.57Å; W28-F66 HydrophobicContact CH2-CZ 3.57Å; W28-F66 HydrophobicContact CZ3-CD1 4.24Å; W28-F66 AromaticContact CZ3-CE1 3.42Å; W28-F66 HydrophobicContact CZ3-CE1 3.42Å; W28-F66 VanDerWaalsContact CZ3-CE1 3.42Å; W28-F66 HydrophobicContact CZ3-CE2 4.44Å; W28-F66 AromaticContact CZ3-CZ 3.53Å; W28-F66 HydrophobicContact CZ3-CZ 3.53Å; P62-F66 WeakPolarHBondContact O-CB 3.39Å; P62-F66 PolarHBondContact O-N 3.39Å; V63-F66 PolarHBondContact O-N 3.28Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.35Å; F66-C69 PolarHBondContact O-N 2.75Å; F66-S70 WeakPolarHBondContact O-CB 3.33Å; F66-S70 PolarHBondContact O-N 3.35Å; F66-S70 PolarHBondContact O-OG 3.45Å
67L76.9Confident73.7Confident32 Ų3290.9 Ų90.917%0.16848%0.479CS..Hα-helixtrans-62-37.8175.3-70.8175.9000113L35 V63 C64 I65 R71L35-L67 HydrophobicContact CD2-CD1 4.04Å; L35-L67 HydrophobicContact CD2-CD2 4.43Å; L35-L67 HydrophobicContact CD2-CG 4.43Å; V63-L67 HydrophobicContact CG1-CD1 4.33Å; V63-L67 WeakPolarHBondContact O-CB 3.36Å; V63-L67 WeakPolarHBondContact O-CG 3.48Å; V63-L67 PolarHBondContact O-N 2.9Å; C64-L67 PolarHBondContact O-N 3.13Å; I65-L67 PolarHBondContact O-N 3.31Å; L67-R71 VanDerWaalsContact O-CB 3.32Å; L67-R71 WeakPolarHBondContact O-CB 2.99Å; L67-R71 VanDerWaalsContact O-CG 3.3Å; L67-R71 WeakPolarHBondContact O-CG 2.95Å; L67-R71 PolarHBondContact O-N 3.25Å
68L78.2Confident72.1Confident85 Ų8593.2 Ų93.245%0.44550%0.495SS..Hα-helixtrans-70.5-40.9178.9-173.466.2000111.7C64 I65 F66 R71 R72C64-L68 VanDerWaalsContact O-CB 3.22Å; C64-L68 WeakPolarHBondContact O-CB 3.49Å; C64-L68 PolarHBondContact O-N 2.83Å; I65-L68 PolarHBondContact O-N 3.42Å; I65-L68 VanDerWaalsContact O-N 3.13Å; F66-L68 VanDerWaalsContact C-N 3.33Å; F66-L68 PolarHBondContact O-N 3.35Å; L68-R71 PolarHBondContact O-N 3.2Å; L68-R72 VanDerWaalsContact O-CG 3.29Å; L68-R72 WeakPolarHBondContact O-CG 3.03Å; L68-R72 PolarHBondContact O-N 2.93Å
69C75.6Confident70.7Confident54 Ų5492.3 Ų92.337%0.36550%0.501SS..Hα-helixtrans-62.2-50.3173.3-68.80000110.3I65 F66 R71 R72 D73I65-C69 WeakPolarHBondContact O-CB 3.45Å; I65-C69 PolarHBondContact O-N 3.25Å; I65-C69 PolarHBondContact O-SG 3.49Å; F66-C69 PolarHBondContact O-N 2.75Å; C69-R71 PolarHBondContact O-N 3.37Å; C69-R72 WeakPolarHBondContact O-CA 3.35Å; C69-R72 WeakPolarHBondContact O-CB 3.37Å; C69-R72 PolarHBondContact O-N 3Å; C69-D73 PolarHBondContact O-N 2.91Å
70S74.1Confident69.5Low5 Ų597.1 Ų97.14%0.03552%0.515CS..Hα-helixtrans-60.3-30.7176.1-64.80000114.4W28 F66 A74W28-S70 VanDerWaalsContact CE2-CB 3.48Å; W28-S70 VanDerWaalsContact CE3-OG 3.3Å; W28-S70 WeakPolarHBondContact CH2-OG 3.3Å; W28-S70 VanDerWaalsContact CZ2-OG 3.23Å; W28-S70 WeakPolarHBondContact CZ2-OG 3.4Å; W28-S70 WeakPolarHBondContact CZ3-OG 3.13Å; F66-S70 WeakPolarHBondContact O-CB 3.33Å; F66-S70 PolarHBondContact O-N 3.35Å; F66-S70 PolarHBondContact O-OG 3.45Å; S70-A74 PolarHBondContact O-N 2.77Å
71R69.8Low68.1Low164 Ų164107.2 Ų107.262%0.61955%0.55SS**Hα-helixtrans-74.7-25.4171.9-84.4176.6165.6-92.42.8113.4L67 L68 C69 A74L67-R71 VanDerWaalsContact O-CB 3.32Å; L67-R71 WeakPolarHBondContact O-CB 2.99Å; L67-R71 VanDerWaalsContact O-CG 3.3Å; L67-R71 WeakPolarHBondContact O-CG 2.95Å; L67-R71 PolarHBondContact O-N 3.25Å; L68-R71 PolarHBondContact O-N 3.2Å; C69-R71 PolarHBondContact O-N 3.37Å; R71-A74 WeakPolarHBondContact O-CB 3.23Å
72R70.4Confident66.4Low182 Ų182107.1 Ų107.169%0.68756%0.564SS**Hα-helixtrans-81.2-32.8175.7-74.8169.6170.1173.6-3111.9L68 C69 A74L68-R72 VanDerWaalsContact O-CG 3.29Å; L68-R72 WeakPolarHBondContact O-CG 3.03Å; L68-R72 PolarHBondContact O-N 2.93Å; C69-R72 WeakPolarHBondContact O-CA 3.35Å; C69-R72 WeakPolarHBondContact O-CB 3.37Å; C69-R72 PolarHBondContact O-N 3Å; R72-A74 PolarHBondContact O-N 3.28Å
73D64.3Low64.8Low131 Ų131107.2 Ų107.270%0.70158%0.578SS**SBendtrans-70.9-17.7171-64.9-44000112.3C69 P75C69-D73 PolarHBondContact O-N 2.91Å; D73-P75 WeakPolarHBondContact O-CD 3.44Å
74A61.7Low63.2Low31 Ų31113 Ų11326%0.25661%0.606SS.*SBendtrans-67.1120.9164.400000108S70 R71 R72 K76S70-A74 PolarHBondContact O-N 2.77Å; R71-A74 WeakPolarHBondContact O-CB 3.23Å; R72-A74 PolarHBondContact O-N 3.28Å; A74-K76 VanDerWaalsContact C-N 3.35Å; A74-K76 PolarHBondContact O-N 3.32Å
75P56Low61.6Low124 Ų124118.7 Ų118.781%0.80563%0.632SS**  trans-60.699.7-179.723.6-32.3000108.6D73 P77D73-P75 WeakPolarHBondContact O-CD 3.44Å; P75-P77 WeakPolarHBondContact O-CD 3.42Å
76K54.8Low59.9Low187 Ų187126 Ų12681%0.81367%0.669SS**  trans-62.6120.9168.9-172.9167.1-178167.10105.2A74 A78A74-K76 VanDerWaalsContact C-N 3.35Å; A74-K76 PolarHBondContact O-N 3.32Å; K76-A78 PolarHBondContact O-N 2.86Å
77P50.4Low58.7Low117 Ų117126.3 Ų126.376%0.7668%0.676SS**  trans-55.7113.7170.722.3-30.2000106.2P75 N79P75-P77 WeakPolarHBondContact O-CD 3.42Å; P77-N79 VanDerWaalsContact C-N 3.28Å; P77-N79 PolarHBondContact O-N 2.85Å
78A48.6Very low57.8Low88 Ų88131.2 Ų131.273%0.72770%0.703SS**  trans-66.988.3-173.100000108.7K76 H80K76-A78 PolarHBondContact O-N 2.86Å; A78-H80 HydrophobicContact CB-CB 4.44Å; A78-H80 PolarHBondContact O-N 3.47Å
79N51.3Low56.6Low145 Ų145133.8 Ų133.878%0.77572%0.717SS**  trans-77.660.2159.8-163-35.8000108.7P77P77-N79 VanDerWaalsContact C-N 3.28Å; P77-N79 PolarHBondContact O-N 2.85Å
80H49.3Very low55.5Low179 Ų179138.5 Ų138.583%0.82974%0.738SS**  trans-104.343.4179.6-126.8-67.4000110.4A78A78-H80 HydrophobicContact CB-CB 4.44Å; A78-H80 PolarHBondContact O-N 3.47Å
81R51.8Low54.3Low243 Ų243146.8 Ų146.892%0.91778%0.782SS**SBendtrans-137.836.9-179.4-101.1-126.4-171.4-163.53.5114.5
82A48.4Very low53.3Low97 Ų97145.7 Ų145.780%0.80279%0.793SS**SBendtrans-147.336.4171.700000114.3
83G48.3Very low52.1Low76 Ų76143.1 Ų143.178%0.78480%0.8SS**SBendtrans-145.210.8179.500000116.2
84L48.2Very low51.2Low163 Ų163144 Ų14485%0.85381%0.808SS**  trans-14771.2179.6-163.875.4000111.3
85L48Very low50.3Low182 Ų182153.4 Ų153.495%0.95385%0.854SS**  trans-141.582.1152.8-76.7177.4000106.2
86I48.3Very low49.8Very low240 Ų240156.1 Ų156.1100%1.23186%0.858SS**  trans-100.30150.4-64.9171.5000105.1

Retrieved 86 of 86 residues in 174.4 ms (Link to these results)