A0A3Q0KQ41_SCHMA Loading...

MEG-12

AlphaFold DB , UniProt , Accession A0A3Q0KQ41, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 65 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M59.5Low72.6Confident205 Ų205123.5 Ų123.5100%1.0161%0.611SS**  0-37.40-57.2-168.6-157.200114F3M1-F3 PolarHBondContact O-N 3.15Å
2K69.1Low72.7Confident186 Ų186121.2 Ų121.281%0.80960%0.602SS**Hα-helixtrans-62.4-35.8-177.4-61.8-177179.31800115.2N5 I6K2-N5 PolarHBondContact O-N 3.45Å; K2-I6 PolarHBondContact O-N 3.29Å
3F69.3Low72.7Confident159 Ų159120.4 Ų120.470%0.69759%0.593SS**Hα-helixtrans-67.4-42.1-177.8-173.7-99.7000113M1 N5 I6 V7M1-F3 PolarHBondContact O-N 3.15Å; F3-N5 VanDerWaalsContact C-N 3.29Å; F3-N5 PolarHBondContact O-N 2.95Å; F3-I6 PolarHBondContact O-N 2.92Å; F3-I6 VanDerWaalsContact O-N 3.17Å; F3-V7 HydrophobicContact CD1-CG2 4.23Å; F3-V7 HydrophobicContact CE1-CG2 3.86Å; F3-V7 HydrophobicContact CZ-CG2 4.19Å; F3-V7 PolarHBondContact O-N 2.98Å
4I70.9Confident72.4Confident114 Ų114113.7 Ų113.759%0.58557%0.571SS**Hα-helixtrans-60.8-42.4178.7-65.1166.9000110I6 V7 T8I4-I6 VanDerWaalsContact C-N 3.3Å; I4-I6 PolarHBondContact O-N 3.38Å; I4-V7 PolarHBondContact O-N 3.26Å; I4-T8 PolarHBondContact O-N 3.14Å; I4-T8 PolarHBondContact O-OG1 3.23Å
5N74.7Confident72.1Confident101 Ų101111 Ų11154%0.5456%0.558SS.*Hα-helixtrans-59.6-40177.6-73.34.6000112.5K2 F3 T8 I9K2-N5 PolarHBondContact O-N 3.45Å; F3-N5 VanDerWaalsContact C-N 3.29Å; F3-N5 PolarHBondContact O-N 2.95Å; N5-T8 PolarHBondContact O-N 3.13Å; N5-I9 WeakPolarHBondContact O-CB 3.1Å; N5-I9 VanDerWaalsContact O-CD1 3.32Å; N5-I9 WeakPolarHBondContact O-CD1 3.13Å; N5-I9 WeakPolarHBondContact O-CG1 3.32Å; N5-I9 PolarHBondContact O-N 3.05Å
6I75.5Confident71.7Confident98 Ų98110.3 Ų110.350%0.50356%0.555SS.*Hα-helixtrans-63.9-45.6177.9-64.8164.1000110.4K2 F3 I4 I9 L10K2-I6 PolarHBondContact O-N 3.29Å; F3-I6 PolarHBondContact O-N 2.92Å; F3-I6 VanDerWaalsContact O-N 3.17Å; I4-I6 VanDerWaalsContact C-N 3.3Å; I4-I6 PolarHBondContact O-N 3.38Å; I6-I9 PolarHBondContact O-N 2.82Å; I6-L10 HydrophobicContact CG2-CD1 4.09Å; I6-L10 WeakPolarHBondContact O-CG 3.4Å; I6-L10 PolarHBondContact O-N 3.05Å
7V76Confident71.2Confident73 Ų73107.3 Ų107.344%0.44254%0.541SS..Hα-helixtrans-63.7-43.3178.7178.50000111F3 I4 I9 L10 F11F3-V7 HydrophobicContact CD1-CG2 4.23Å; F3-V7 HydrophobicContact CE1-CG2 3.86Å; F3-V7 HydrophobicContact CZ-CG2 4.19Å; F3-V7 PolarHBondContact O-N 2.98Å; I4-V7 PolarHBondContact O-N 3.26Å; V7-I9 PolarHBondContact O-N 3.22Å; V7-L10 PolarHBondContact O-N 3.39Å; V7-F11 WeakPolarHBondContact O-CB 3.33Å; V7-F11 PolarHBondContact O-N 3.37Å
8T75.9Confident70.5Confident68 Ų68103 Ų10342%0.41752%0.522SS..Hα-helixtrans-63.3-40.6176.6-56.40000112I4 N5 F11 L12I4-T8 PolarHBondContact O-N 3.14Å; I4-T8 PolarHBondContact O-OG1 3.23Å; N5-T8 PolarHBondContact O-N 3.13Å; T8-F11 PolarHBondContact O-N 3.23Å; T8-L12 HydrophobicContact CG2-CD1 3.92Å; T8-L12 WeakPolarHBondContact O-CB 3.4Å; T8-L12 WeakPolarHBondContact O-CG 3.31Å; T8-L12 PolarHBondContact O-N 3.36Å
9I76.4Confident69.9Low110 Ų110102.4 Ų102.456%0.56453%0.528SS*.Hα-helixtrans-64-45.2176.3-70.4162.2000110.6N5 I6 V7 F11 L12 F13N5-I9 WeakPolarHBondContact O-CB 3.1Å; N5-I9 VanDerWaalsContact O-CD1 3.32Å; N5-I9 WeakPolarHBondContact O-CD1 3.13Å; N5-I9 WeakPolarHBondContact O-CG1 3.32Å; N5-I9 PolarHBondContact O-N 3.05Å; I6-I9 PolarHBondContact O-N 2.82Å; V7-I9 PolarHBondContact O-N 3.22Å; I9-F11 VanDerWaalsContact C-N 3.29Å; I9-F11 PolarHBondContact O-N 2.86Å; I9-L12 PolarHBondContact O-N 3.49Å; I9-F13 WeakPolarHBondContact O-CB 3.15Å; I9-F13 PolarHBondContact O-N 3.44Å
10L76.5Confident69.3Low99 Ų99105.2 Ų105.252%0.51854%0.538SS..Hα-helixtrans-61.7-39.4176.3-71.2171.4000111.8I6 V7 G14I6-L10 HydrophobicContact CG2-CD1 4.09Å; I6-L10 WeakPolarHBondContact O-CG 3.4Å; I6-L10 PolarHBondContact O-N 3.05Å; V7-L10 PolarHBondContact O-N 3.39Å; L10-G14 PolarHBondContact O-N 3.47Å
11F75.1Confident68.5Low146 Ų146100.7 Ų100.764%0.6452%0.518SS*.Hα-helixtrans-67.8-45.4177.2-167.9-104.2000112.2V7 T8 I9 F13 G14 I15V7-F11 WeakPolarHBondContact O-CB 3.33Å; V7-F11 PolarHBondContact O-N 3.37Å; T8-F11 PolarHBondContact O-N 3.23Å; I9-F11 VanDerWaalsContact C-N 3.29Å; I9-F11 PolarHBondContact O-N 2.86Å; F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 PolarHBondContact O-N 2.88Å; F11-G14 WeakPolarHBondContact O-CA 3.3Å; F11-G14 PolarHBondContact O-N 3.33Å; F11-I15 HydrophobicContact CD1-CD1 3.64Å; F11-I15 HydrophobicContact CD1-CG1 4.43Å; F11-I15 HydrophobicContact CE1-CD1 3.45Å; F11-I15 VanDerWaalsContact CE1-CD1 3.45Å; F11-I15 HydrophobicContact CE1-CG1 4.3Å; F11-I15 HydrophobicContact CZ-CD1 4.25Å; F11-I15 WeakPolarHBondContact O-CG1 3.17Å; F11-I15 PolarHBondContact O-N 2.91Å
12L74Confident68.2Low95 Ų9594.4 Ų94.450%0.49749%0.494SS..Hα-helixtrans-61.5-40.2174.4-80.4162000112T8 I9 G14 I15 L16T8-L12 HydrophobicContact CG2-CD1 3.92Å; T8-L12 WeakPolarHBondContact O-CB 3.4Å; T8-L12 WeakPolarHBondContact O-CG 3.31Å; T8-L12 PolarHBondContact O-N 3.36Å; I9-L12 PolarHBondContact O-N 3.49Å; L12-G14 VanDerWaalsContact C-N 3.35Å; L12-I15 PolarHBondContact O-N 3.32Å; L12-L16 PolarHBondContact O-N 3.18Å
13F72.7Confident67.6Low111 Ų11194.4 Ų94.449%0.48750%0.497SS..Hα-helixtrans-66.5-40.2176-160.4-102.7000111.2I9 F11 L16 I17 F43I9-F13 WeakPolarHBondContact O-CB 3.15Å; I9-F13 PolarHBondContact O-N 3.44Å; F11-F13 VanDerWaalsContact C-N 3.33Å; F11-F13 PolarHBondContact O-N 2.88Å; F13-L16 PolarHBondContact O-N 3.33Å; F13-I17 HydrophobicContact CD1-CD1 3.49Å; F13-I17 VanDerWaalsContact CD1-CD1 3.49Å; F13-I17 HydrophobicContact CD1-CG1 4.22Å; F13-I17 HydrophobicContact CE1-CD1 3.52Å; F13-I17 HydrophobicContact CE1-CG1 4.16Å; F13-I17 VanDerWaalsContact O-CG1 3.3Å; F13-I17 WeakPolarHBondContact O-CG1 3.37Å; F13-I17 PolarHBondContact O-N 3.41Å; F13-F43 HydrophobicContact CE1-CE1 4.47Å
14G68.8Low66.8Low27 Ų2787.2 Ų87.228%0.27847%0.467SS..Hα-helixtrans-54.8-50.4169.500000111.5L10 F11 L12 L16 I17 S18L10-G14 PolarHBondContact O-N 3.47Å; F11-G14 WeakPolarHBondContact O-CA 3.3Å; F11-G14 PolarHBondContact O-N 3.33Å; L12-G14 VanDerWaalsContact C-N 3.35Å; G14-L16 PolarHBondContact O-N 3.17Å; G14-I17 PolarHBondContact O-N 3.03Å; G14-S18 WeakPolarHBondContact O-CB 3.27Å; G14-S18 PolarHBondContact O-N 2.83Å; G14-S18 PolarHBondContact O-OG 3.18Å
15I67.4Low66.1Low73 Ų7389.5 Ų89.537%0.37448%0.475SS..Hα-helixtrans-61.6-42176.3-65.3166.7000111.6F11 L12 I17 S18 S19F11-I15 HydrophobicContact CD1-CD1 3.64Å; F11-I15 HydrophobicContact CD1-CG1 4.43Å; F11-I15 HydrophobicContact CE1-CD1 3.45Å; F11-I15 VanDerWaalsContact CE1-CD1 3.45Å; F11-I15 HydrophobicContact CE1-CG1 4.3Å; F11-I15 HydrophobicContact CZ-CD1 4.25Å; F11-I15 WeakPolarHBondContact O-CG1 3.17Å; F11-I15 PolarHBondContact O-N 2.91Å; L12-I15 PolarHBondContact O-N 3.32Å; I15-I17 PolarHBondContact O-N 3.04Å; I15-S18 WeakPolarHBondContact CA-OG 3.42Å; I15-S18 CarbonylContact O-C 3.52Å; I15-S18 WeakPolarHBondContact O-CA 3.5Å; I15-S18 WeakPolarHBondContact O-CB 3.4Å; I15-S18 PolarHBondContact O-N 3.48Å; I15-S19 WeakPolarHBondContact O-CB 3.47Å; I15-S19 PolarHBondContact O-N 3.29Å; I15-S19 PolarHBondContact O-OG 2.87Å
16L65.6Low65.1Low99 Ų9990.2 Ų90.252%0.51848%0.479SS..Hα-helixtrans-62.8-44.1177.9-85.9158.7000112.2L12 F13 G14 S18 S19 H20L12-L16 PolarHBondContact O-N 3.18Å; F13-L16 PolarHBondContact O-N 3.33Å; G14-L16 PolarHBondContact O-N 3.17Å; L16-S18 PolarHBondContact O-N 3.26Å; L16-S19 PolarHBondContact O-N 3.47Å; L16-H20 PolarHBondContact O-N 3.39Å
17I63.2Low64.1Low60 Ų6091.8 Ų91.831%0.30848%0.48SS..Hα-helixtrans-61.5-35.7172-64.4163.8000109.9F13 G14 I15 G21 Y47F13-I17 HydrophobicContact CD1-CD1 3.49Å; F13-I17 VanDerWaalsContact CD1-CD1 3.49Å; F13-I17 HydrophobicContact CD1-CG1 4.22Å; F13-I17 HydrophobicContact CE1-CD1 3.52Å; F13-I17 HydrophobicContact CE1-CG1 4.16Å; F13-I17 VanDerWaalsContact O-CG1 3.3Å; F13-I17 WeakPolarHBondContact O-CG1 3.37Å; F13-I17 PolarHBondContact O-N 3.41Å; G14-I17 PolarHBondContact O-N 3.03Å; I15-I17 PolarHBondContact O-N 3.04Å; I17-G21 WeakPolarHBondContact O-CA 3.32Å; I17-G21 PolarHBondContact O-N 3.23Å; I17-Y47 HydrophobicContact CG2-CD2 4.27Å; I17-Y47 HydrophobicContact CG2-CE2 4.5Å
18S58.1Low63.1Low30 Ų3093.4 Ų93.421%0.2148%0.483CS..Hα-helixtrans-62.4-48.6176.4-47.80000113G14 I15 L16 H20 F50G14-S18 WeakPolarHBondContact O-CB 3.27Å; G14-S18 PolarHBondContact O-N 2.83Å; G14-S18 PolarHBondContact O-OG 3.18Å; I15-S18 WeakPolarHBondContact CA-OG 3.42Å; I15-S18 CarbonylContact O-C 3.52Å; I15-S18 WeakPolarHBondContact O-CA 3.5Å; I15-S18 WeakPolarHBondContact O-CB 3.4Å; I15-S18 PolarHBondContact O-N 3.48Å; L16-S18 PolarHBondContact O-N 3.26Å; S18-H20 VanDerWaalsContact C-N 3.33Å; S18-F50 VanDerWaalsContact OG-CD2 3.24Å; S18-F50 WeakPolarHBondContact OG-CD2 3.38Å; S18-F50 WeakPolarHBondContact OG-CE2 3.13Å; S18-F50 WeakPolarHBondContact OG-CZ 3.33Å
19S60Low61.9Low91 Ų9197.4 Ų97.464%0.63650%0.496SS*.Hα-helixtrans-74.1-24.6-174.8-60.40000112.5I15 L16I15-S19 WeakPolarHBondContact O-CB 3.47Å; I15-S19 PolarHBondContact O-N 3.29Å; I15-S19 PolarHBondContact O-OG 2.87Å; L16-S19 PolarHBondContact O-N 3.47Å
20H58Low60.7Low158 Ų15899.3 Ų99.373%0.73150%0.503SS*.Hα-helixtrans-105.7-10.2178.8-81.7-67.8000115.1L16 S18L16-H20 PolarHBondContact O-N 3.39Å; S18-H20 VanDerWaalsContact C-N 3.33Å
21G52Low59.7Low11 Ų1196.9 Ų96.911%0.11349%0.49CS..Hα-helixtrans-129.18.7-155.500000118.3I17 E23 G24I17-G21 WeakPolarHBondContact O-CA 3.32Å; I17-G21 PolarHBondContact O-N 3.23Å; G21-E23 PolarHBondContact O-N 2.89Å; G21-G24 PolarHBondContact O-N 3.43Å
22C54.2Low58.7Low74 Ų7497.4 Ų97.450%0.550%0.495SS..THydrogen-bonded Turntrans-68.7-18.8172.5-146.70000112.6C54C22-C54 HydrophobicContact CB-CB 4.23Å; C22-C54 WeakPolarHBondContact CB-SG 3.39Å; C22-C54 WeakPolarHBondContact SG-CB 3.39Å; C22-C54 CovalentContact SG-SG 2.03Å; C22-C54 PolarHBondContact SG-SG 3.47Å
23E56.5Low57.6Low186 Ų186100.7 Ų100.787%0.86951%0.508SS*.THydrogen-bonded Turntrans-93.513170.5-65.1-175100.700113.3G21 E25G21-E23 PolarHBondContact O-N 2.89Å; E23-E25 VanDerWaalsContact C-N 3.28Å; E23-E25 PolarHBondContact O-N 2.96Å
24G52.5Low56.5Low8 Ų8100.6 Ų100.68%0.08252%0.518CS..  trans-80.546.3-172.200000115.8G21 N26 Y27 Y47G21-G24 PolarHBondContact O-N 3.43Å; G24-N26 PolarHBondContact O-N 2.91Å; G24-N26 VanDerWaalsContact O-N 3.13Å; G24-Y27 PolarHBondContact O-N 3.34Å; G24-Y47 PolarHBondContact O-OH 2.91Å
25E54.5Low55.8Low161 Ų161108.9 Ų108.975%0.75255%0.547SS*.THydrogen-bonded Turntrans-59.2-22.9174.5-68.3-160.3115.100112.5E23E23-E25 VanDerWaalsContact C-N 3.28Å; E23-E25 PolarHBondContact O-N 2.96Å
26N55.3Low55.3Low117 Ų117108.1 Ų108.163%0.62655%0.551SS**THydrogen-bonded Turntrans-82.4-11.7-177.9-66.7-57.4000115G24G24-N26 PolarHBondContact O-N 2.91Å; G24-N26 VanDerWaalsContact O-N 3.13Å
27Y54.4Low54.9Low130 Ų130113.8 Ų113.851%0.5157%0.567SS.*Hα-helixtrans-81.4-22.6-179.4-70.5-77.3000113.3G24 Q29 Q30 L31G24-Y27 PolarHBondContact O-N 3.34Å; Y27-Q29 PolarHBondContact O-N 3.06Å; Y27-Q30 PolarHBondContact O-N 3.32Å; Y27-L31 PolarHBondContact O-N 3.38Å; Y27-L31 VanDerWaalsContact O-N 3.15Å
28E53.5Low55Low108 Ų108113.4 Ų113.451%0.50558%0.578SS.*Hα-helixtrans-64.3-30.9176-70.2-167.173.300111.6Y47 K51E28-Y47 HydrophobicContact CG-CE1 4.28Å; E28-K51 IonicContact OE2-NZ 2.83Å; E28-K51 PolarHBondContact OE2-NZ 3.16Å
29Q51.2Low55.5Low151 Ų151117.2 Ų117.271%0.70659%0.594SS**Hα-helixtrans-79.9-22.2176.6-72.9-172.8-44.700113.8Y27Y27-Q29 PolarHBondContact O-N 3.06Å
30Q50.5Low55.7Low150 Ų150117.9 Ų117.970%0.70158%0.583SS**Hα-helixtrans-89.7-13.5174.5-79.9-173.4-69.900113.9Y27 Q32Y27-Q30 PolarHBondContact O-N 3.32Å; Q30-Q32 PolarHBondContact O-N 2.79Å
31L56.7Low56Low48 Ų48114.1 Ų114.125%0.25158%0.575SS.*THydrogen-bonded Turntrans-77.58.1176.3-81.8160.7000114.1Y27 W40Y27-L31 PolarHBondContact O-N 3.38Å; Y27-L31 VanDerWaalsContact O-N 3.15Å; L31-W40 VanDerWaalsContact C-CZ2 3.47Å; L31-W40 VanDerWaalsContact CA-CZ2 3.42Å; L31-W40 HydrophobicContact CB-CZ2 3.87Å; L31-W40 HydrophobicContact CD2-CD2 4.2Å; L31-W40 HydrophobicContact CD2-CE3 4.39Å; L31-W40 HydrophobicContact CD2-CH2 3.5Å; L31-W40 HydrophobicContact CD2-CZ2 3.26Å; L31-W40 HydrophobicContact CD2-CZ3 4.04Å; L31-W40 HydrophobicContact CG-CH2 4.48Å; L31-W40 HydrophobicContact CG-CZ2 4.08Å; L31-W40 WeakPolarHBondContact O-CZ2 3.02Å; L31-W40 PolarHBondContact O-NE1 2.89Å
32Q54.6Low56.7Low158 Ų158118.2 Ų118.274%0.73859%0.593SS**THydrogen-bonded Turntrans-89.6-4.7-170.3-103.6-179.5-29.300116.6Q30Q30-Q32 PolarHBondContact O-N 2.79Å
33Q50.2Low57.3Low164 Ų164118.9 Ų118.977%0.76659%0.588SS**  trans-155.6150-176.4-56.6-168.19.700113.7
34P50.3Low57.9Low108 Ų108112.6 Ų112.670%0.70157%0.565SS**  cis-134.9164.4-41.239.9-24000114.2
35K53Low58.7Low202 Ų202119.5 Ų119.588%0.87859%0.589SS**SBendtrans80.726154.7-65175.4-176.1-178.70122.7
36A57.3Low59.5Low56 Ų56117.6 Ų117.646%0.46358%0.579SS.*  trans-132.764.7164.400000112.4G38 I39 W40A36-G38 VanDerWaalsContact C-N 3.26Å; A36-G38 PolarHBondContact O-N 3.02Å; A36-I39 PolarHBondContact O-N 3.49Å; A36-W40 WeakPolarHBondContact O-CB 3.18Å; A36-W40 PolarHBondContact O-N 2.58Å
37Y57.8Low60.1Low219 Ų219113.9 Ų113.986%0.85956%0.556SS**Hα-helixtrans-48-38.1-170.2-109.3-93.7000115.4S41Y37-S41 VanDerWaalsContact O-CB 3.27Å; Y37-S41 WeakPolarHBondContact O-CB 3.05Å; Y37-S41 PolarHBondContact O-N 3.47Å
38G64.3Low60.9Low52 Ų52114.9 Ų114.954%0.53656%0.563SS.*Hα-helixtrans-73.2-57.1-177.200000113.3A36 W40 S41 L42A36-G38 VanDerWaalsContact C-N 3.26Å; A36-G38 PolarHBondContact O-N 3.02Å; G38-W40 VanDerWaalsContact C-N 3.31Å; G38-W40 PolarHBondContact O-N 3.06Å; G38-S41 PolarHBondContact O-N 2.87Å; G38-L42 PolarHBondContact O-N 3.41Å
39I69.3Low61.9Low109 Ų109113.1 Ų113.156%0.55956%0.56SS**Hα-helixtrans-67.8-35.6-177.9-66.9168.4000110.5A36 L42 F43A36-I39 PolarHBondContact O-N 3.49Å; I39-L42 WeakPolarHBondContact O-CB 3.47Å; I39-L42 PolarHBondContact O-N 3.35Å; I39-F43 HydrophobicContact CG2-CD2 3.47Å; I39-F43 VanDerWaalsContact CG2-CD2 3.47Å; I39-F43 HydrophobicContact CG2-CE2 3.26Å; I39-F43 HydrophobicContact CG2-CZ 4.49Å; I39-F43 WeakPolarHBondContact O-CD2 3.26Å; I39-F43 PolarHBondContact O-N 2.94Å
40W64.2Low62.8Low106 Ų106107.9 Ų107.940%0.40254%0.535SS..Hα-helixtrans-65.8-41.2177.2-162.1-111000113.2L31 A36 G38 L42 F43 S44L31-W40 VanDerWaalsContact C-CZ2 3.47Å; L31-W40 VanDerWaalsContact CA-CZ2 3.42Å; L31-W40 HydrophobicContact CB-CZ2 3.87Å; L31-W40 HydrophobicContact CD2-CD2 4.2Å; L31-W40 HydrophobicContact CD2-CE3 4.39Å; L31-W40 HydrophobicContact CD2-CH2 3.5Å; L31-W40 HydrophobicContact CD2-CZ2 3.26Å; L31-W40 HydrophobicContact CD2-CZ3 4.04Å; L31-W40 HydrophobicContact CG-CH2 4.48Å; L31-W40 HydrophobicContact CG-CZ2 4.08Å; L31-W40 WeakPolarHBondContact O-CZ2 3.02Å; L31-W40 PolarHBondContact O-NE1 2.89Å; A36-W40 WeakPolarHBondContact O-CB 3.18Å; A36-W40 PolarHBondContact O-N 2.58Å; G38-W40 VanDerWaalsContact C-N 3.31Å; G38-W40 PolarHBondContact O-N 3.06Å; W40-L42 VanDerWaalsContact C-N 3.28Å; W40-L42 PolarHBondContact O-N 2.85Å; W40-F43 PolarHBondContact O-N 3.26Å; W40-S44 VanDerWaalsContact O-CB 3.31Å; W40-S44 WeakPolarHBondContact O-CB 3.23Å; W40-S44 PolarHBondContact O-N 3.32Å
41S63.7Low63.7Low79 Ų79105.3 Ų105.355%0.55252%0.521SS*.Hα-helixtrans-60.3-41.9174.8-175.60000110.9Y37 G38 S44 Y45Y37-S41 VanDerWaalsContact O-CB 3.27Å; Y37-S41 WeakPolarHBondContact O-CB 3.05Å; Y37-S41 PolarHBondContact O-N 3.47Å; G38-S41 PolarHBondContact O-N 2.87Å; S41-S44 PolarHBondContact O-N 3.24Å; S41-Y45 VanDerWaalsContact O-CB 3.26Å; S41-Y45 WeakPolarHBondContact O-CB 3.36Å; S41-Y45 PolarHBondContact O-N 3.39Å
42L66.5Low64.5Low96 Ų96107.2 Ų107.250%0.50354%0.535SS..Hα-helixtrans-60.6-51.4173.2-81.2153.2000111.5G38 I39 W40 S44 Y45 F46G38-L42 PolarHBondContact O-N 3.41Å; I39-L42 WeakPolarHBondContact O-CB 3.47Å; I39-L42 PolarHBondContact O-N 3.35Å; W40-L42 VanDerWaalsContact C-N 3.28Å; W40-L42 PolarHBondContact O-N 2.85Å; L42-S44 VanDerWaalsContact C-N 3.35Å; L42-S44 PolarHBondContact O-N 3.45Å; L42-Y45 PolarHBondContact O-N 3.26Å; L42-F46 HydrophobicContact CB-CD2 4.4Å; L42-F46 HydrophobicContact CB-CE2 4.33Å; L42-F46 HydrophobicContact CD2-CE2 3.85Å; L42-F46 WeakPolarHBondContact O-CD2 2.7Å; L42-F46 PolarHBondContact O-N 2.85Å
43F67.4Low65.5Low88 Ų88106 Ų10639%0.38653%0.528SS..Hα-helixtrans-60.5-41.9178.3-81.7-68.9000112.9F13 I39 W40 F46 Y47F13-F43 HydrophobicContact CE1-CE1 4.47Å; I39-F43 HydrophobicContact CG2-CD2 3.47Å; I39-F43 VanDerWaalsContact CG2-CD2 3.47Å; I39-F43 HydrophobicContact CG2-CE2 3.26Å; I39-F43 HydrophobicContact CG2-CZ 4.49Å; I39-F43 WeakPolarHBondContact O-CD2 3.26Å; I39-F43 PolarHBondContact O-N 2.94Å; W40-F43 PolarHBondContact O-N 3.26Å; F43-F46 PolarHBondContact O-N 3.42Å; F43-Y47 VanDerWaalsContact O-CB 3.23Å; F43-Y47 WeakPolarHBondContact O-CB 2.97Å; F43-Y47 PolarHBondContact O-N 2.83Å
44S68.1Low66.4Low55 Ų5599.3 Ų99.339%0.38550%0.499SS..Hα-helixtrans-64.3-42.7176.2-178.40000111.8W40 S41 L42 Y47 K48W40-S44 VanDerWaalsContact O-CB 3.31Å; W40-S44 WeakPolarHBondContact O-CB 3.23Å; W40-S44 PolarHBondContact O-N 3.32Å; S41-S44 PolarHBondContact O-N 3.24Å; L42-S44 VanDerWaalsContact C-N 3.35Å; L42-S44 PolarHBondContact O-N 3.45Å; S44-Y47 PolarHBondContact O-N 2.03Å; S44-K48 WeakPolarHBondContact O-CB 3.38Å; S44-K48 PolarHBondContact O-N 3.44Å
45Y69.1Low67.5Low152 Ų15298 Ų9860%0.59649%0.492SS*.Hα-helixtrans-63.1-47.9175.1179.8-94.6000111.8S41 L42 Y47 K48 T49S41-Y45 VanDerWaalsContact O-CB 3.26Å; S41-Y45 WeakPolarHBondContact O-CB 3.36Å; S41-Y45 PolarHBondContact O-N 3.39Å; L42-Y45 PolarHBondContact O-N 3.26Å; Y45-Y47 VanDerWaalsContact C-N 3.34Å; Y45-Y47 PolarHBondContact O-N 3.34Å; Y45-K48 PolarHBondContact O-N 2.86Å; Y45-T49 WeakPolarHBondContact O-CB 3.01Å; Y45-T49 PolarHBondContact O-N 2.88Å; Y45-T49 PolarHBondContact O-OG1 2.87Å; Y45-T49 VanDerWaalsContact O-OG1 3.07Å
46F72.6Confident68.6Low122 Ų12292 Ų9254%0.53547%0.472SS..Hα-helixtrans-60.7-43.5176.2-78.1-64.4000111.5L42 F43 T49 F50L42-F46 HydrophobicContact CB-CD2 4.4Å; L42-F46 HydrophobicContact CB-CE2 4.33Å; L42-F46 HydrophobicContact CD2-CE2 3.85Å; L42-F46 WeakPolarHBondContact O-CD2 2.7Å; L42-F46 PolarHBondContact O-N 2.85Å; F43-F46 PolarHBondContact O-N 3.42Å; F46-T49 PolarHBondContact O-N 3.47Å; F46-F50 WeakPolarHBondContact O-CB 3.06Å; F46-F50 PolarHBondContact O-N 3.03Å
47Y67.3Low69.3Low39 Ų3991.6 Ų91.615%0.15347%0.466CS..Hα-helixtrans-61.2-45.3176.6179.7-105.8000112I17 G24 E28 F43 S44 Y45 F50 K51I17-Y47 HydrophobicContact CG2-CD2 4.27Å; I17-Y47 HydrophobicContact CG2-CE2 4.5Å; G24-Y47 PolarHBondContact O-OH 2.91Å; E28-Y47 HydrophobicContact CG-CE1 4.28Å; F43-Y47 VanDerWaalsContact O-CB 3.23Å; F43-Y47 WeakPolarHBondContact O-CB 2.97Å; F43-Y47 PolarHBondContact O-N 2.83Å; S44-Y47 PolarHBondContact O-N 2.03Å; Y45-Y47 VanDerWaalsContact C-N 3.34Å; Y45-Y47 PolarHBondContact O-N 3.34Å; Y47-F50 PolarHBondContact O-N 3.31Å; Y47-K51 PolarHBondContact O-N 3.07Å
48K70.9Confident70Confident150 Ų15086.5 Ų86.565%0.65245%0.453SS*.Hα-helixtrans-64.4-47.7178.5-171.1177-1771780111.9S44 Y45 F50 K51 V52S44-K48 WeakPolarHBondContact O-CB 3.38Å; S44-K48 PolarHBondContact O-N 3.44Å; Y45-K48 PolarHBondContact O-N 2.86Å; K48-F50 PolarHBondContact O-N 2.86Å; K48-K51 PolarHBondContact O-N 2.93Å; K48-V52 WeakPolarHBondContact O-CG2 3.24Å; K48-V52 PolarHBondContact O-N 2.97Å; K48-V52 VanDerWaalsContact O-N 3.16Å
49T74.2Confident70.4Confident71 Ų7189.7 Ų89.744%0.43646%0.456SS..Hα-helixtrans-60-39.5175.5-61.10000110.8Y45 F46 V52 F53Y45-T49 WeakPolarHBondContact O-CB 3.01Å; Y45-T49 PolarHBondContact O-N 2.88Å; Y45-T49 PolarHBondContact O-OG1 2.87Å; Y45-T49 VanDerWaalsContact O-OG1 3.07Å; F46-T49 PolarHBondContact O-N 3.47Å; T49-V52 PolarHBondContact O-N 2.87Å; T49-F53 PolarHBondContact O-N 2.92Å
50F69.7Low70.5Confident42 Ų4287.9 Ų87.918%0.18445%0.449CS..Hα-helixtrans-65.9-45.2177.7-177.3-93.1000112.8S18 F46 Y47 K48 V52 F53 C54S18-F50 VanDerWaalsContact OG-CD2 3.24Å; S18-F50 WeakPolarHBondContact OG-CD2 3.38Å; S18-F50 WeakPolarHBondContact OG-CE2 3.13Å; S18-F50 WeakPolarHBondContact OG-CZ 3.33Å; F46-F50 WeakPolarHBondContact O-CB 3.06Å; F46-F50 PolarHBondContact O-N 3.03Å; Y47-F50 PolarHBondContact O-N 3.31Å; K48-F50 PolarHBondContact O-N 2.86Å; F50-V52 VanDerWaalsContact C-N 3.26Å; F50-V52 PolarHBondContact O-N 3.39Å; F50-F53 HydrophobicContact CE2-CD1 4.34Å; F50-F53 WeakPolarHBondContact O-CA 3.46Å; F50-F53 WeakPolarHBondContact O-CB 3.49Å; F50-F53 PolarHBondContact O-N 3.29Å; F50-C54 HydrophobicContact CE1-CB 4.01Å; F50-C54 HydrophobicContact CZ-CB 3.95Å; F50-C54 PolarHBondContact O-N 3.49Å
51K69.6Low70.9Confident95 Ų9588 Ų8841%0.41346%0.458SS..Hα-helixtrans-56.8-40.8175.6-170.3177.5-174.1179.70111.6E28 Y47 K48 C54 S55E28-K51 IonicContact OE2-NZ 2.83Å; E28-K51 PolarHBondContact OE2-NZ 3.16Å; Y47-K51 PolarHBondContact O-N 3.07Å; K48-K51 PolarHBondContact O-N 2.93Å; K51-C54 PolarHBondContact O-N 2.87Å; K51-S55 WeakPolarHBondContact O-CB 3.45Å; K51-S55 PolarHBondContact O-N 3.32Å
52V74Confident71.5Confident88 Ų8893.9 Ų93.953%0.53347%0.468SS..Hα-helixtrans-63.2-46.5173.9175.40000110.7K48 T49 F50 C54 S55 V56K48-V52 WeakPolarHBondContact O-CG2 3.24Å; K48-V52 PolarHBondContact O-N 2.97Å; K48-V52 VanDerWaalsContact O-N 3.16Å; T49-V52 PolarHBondContact O-N 2.87Å; F50-V52 VanDerWaalsContact C-N 3.26Å; F50-V52 PolarHBondContact O-N 3.39Å; V52-C54 PolarHBondContact O-N 3.41Å; V52-S55 PolarHBondContact O-N 3.43Å; V52-V56 HydrophobicContact CG1-CG2 4.33Å; V52-V56 VanDerWaalsContact O-CG2 3.3Å; V52-V56 WeakPolarHBondContact O-CG2 3.41Å; V52-V56 PolarHBondContact O-N 2.77Å
53F76.9Confident72.1Confident134 Ų13493.8 Ų93.859%0.58847%0.467SS*.Hα-helixtrans-61.1-41.2177.7-171.8-92.4000112.6T49 F50 V56 S57T49-F53 PolarHBondContact O-N 2.92Å; F50-F53 HydrophobicContact CE2-CD1 4.34Å; F50-F53 WeakPolarHBondContact O-CA 3.46Å; F50-F53 WeakPolarHBondContact O-CB 3.49Å; F50-F53 PolarHBondContact O-N 3.29Å; F53-V56 PolarHBondContact O-N 3.42Å; F53-S57 WeakPolarHBondContact CE1-OG 3.43Å; F53-S57 WeakPolarHBondContact O-CB 3.34Å; F53-S57 PolarHBondContact O-N 2.84Å; F53-S57 PolarHBondContact O-OG 3.47Å
54C67.2Low72.4Confident23 Ų2397.8 Ų97.816%0.15549%0.485CS..Hα-helixtrans-64.7-44.6175.4-173.40000111.8C22 F50 K51 V52 V56 S57 N58C22-C54 HydrophobicContact CB-CB 4.23Å; C22-C54 WeakPolarHBondContact CB-SG 3.39Å; C22-C54 WeakPolarHBondContact SG-CB 3.39Å; C22-C54 CovalentContact SG-SG 2.03Å; C22-C54 PolarHBondContact SG-SG 3.47Å; F50-C54 HydrophobicContact CE1-CB 4.01Å; F50-C54 HydrophobicContact CZ-CB 3.95Å; F50-C54 PolarHBondContact O-N 3.49Å; K51-C54 PolarHBondContact O-N 2.87Å; V52-C54 PolarHBondContact O-N 3.41Å; C54-V56 VanDerWaalsContact C-N 3.35Å; C54-V56 PolarHBondContact O-N 2.84Å; C54-S57 PolarHBondContact O-N 3.45Å; C54-N58 WeakPolarHBondContact O-CB 3.35Å; C54-N58 PolarHBondContact O-N 3.03Å
55S74.7Confident71.8Confident80 Ų80100.3 Ų100.356%0.55952%0.519SS*.Hα-helixtrans-59.5-44.7176.3-175.80000111.9K51 V52 N58 M59K51-S55 WeakPolarHBondContact O-CB 3.45Å; K51-S55 PolarHBondContact O-N 3.32Å; V52-S55 PolarHBondContact O-N 3.43Å; S55-N58 PolarHBondContact O-N 3.41Å; S55-M59 WeakPolarHBondContact O-CB 3.42Å; S55-M59 PolarHBondContact O-N 2.89Å
56V75.2Confident71.9Confident76 Ų7697.7 Ų97.746%0.46152%0.515SS..Hα-helixtrans-64.2-43.1174.7174.20000111V52 F53 C54 N58 M59 V60V52-V56 HydrophobicContact CG1-CG2 4.33Å; V52-V56 VanDerWaalsContact O-CG2 3.3Å; V52-V56 WeakPolarHBondContact O-CG2 3.41Å; V52-V56 PolarHBondContact O-N 2.77Å; F53-V56 PolarHBondContact O-N 3.42Å; C54-V56 VanDerWaalsContact C-N 3.35Å; C54-V56 PolarHBondContact O-N 2.84Å; V56-N58 PolarHBondContact O-N 2.92Å; V56-M59 PolarHBondContact O-N 3.19Å; V56-V60 HydrophobicContact CG1-CG2 4.17Å; V56-V60 WeakPolarHBondContact O-CB 3.41Å; V56-V60 VanDerWaalsContact O-CG2 3.24Å; V56-V60 WeakPolarHBondContact O-CG2 3.44Å; V56-V60 PolarHBondContact O-N 3.44Å
57S73.5Confident71.9Confident48 Ų4896.4 Ų96.434%0.33651%0.514SS..Hα-helixtrans-63.2-41.4178.7-60.10000111.8F53 C54 V60 N61F53-S57 WeakPolarHBondContact CE1-OG 3.43Å; F53-S57 WeakPolarHBondContact O-CB 3.34Å; F53-S57 PolarHBondContact O-N 2.84Å; F53-S57 PolarHBondContact O-OG 3.47Å; C54-S57 PolarHBondContact O-N 3.45Å; S57-V60 PolarHBondContact O-N 3.44Å; S57-N61 WeakPolarHBondContact O-CB 3.34Å; S57-N61 PolarHBondContact O-N 3.46Å
58N72.1Confident72.2Confident111 Ų11199.6 Ų99.659%0.59453%0.534SS*.Hα-helixtrans-66.1-40.8175.5-165.637.5000111.3C54 S55 V56 N61 W62C54-N58 WeakPolarHBondContact O-CB 3.35Å; C54-N58 PolarHBondContact O-N 3.03Å; S55-N58 PolarHBondContact O-N 3.41Å; V56-N58 PolarHBondContact O-N 2.92Å; N58-N61 PolarHBondContact O-N 2.9Å; N58-W62 WeakPolarHBondContact O-CB 3.3Å; N58-W62 PolarHBondContact O-N 3.27Å
59M72.7Confident72.2Confident120 Ų12096.6 Ų96.659%0.59153%0.527SS*.Hα-helixtrans-63.8-43.1174.4-174.6-179.1178.200112S55 V56 W62 I63S55-M59 WeakPolarHBondContact O-CB 3.42Å; S55-M59 PolarHBondContact O-N 2.89Å; V56-M59 PolarHBondContact O-N 3.19Å; M59-W62 PolarHBondContact O-N 3.4Å; M59-I63 HydrophobicContact CE-CD1 4.28Å; M59-I63 HydrophobicContact CG-CD1 4.15Å; M59-I63 VanDerWaalsContact O-CG1 3.27Å; M59-I63 WeakPolarHBondContact O-CG1 3.42Å; M59-I63 PolarHBondContact O-N 3.02Å; M59-I63 VanDerWaalsContact O-N 3.07Å
60V71.7Confident72.1Confident70 Ų7098.3 Ų98.342%0.42453%0.533SS..Hα-helixtrans-64.7-44.1176.2171.10000110.4V56 S57 W62 I63 F64V56-V60 HydrophobicContact CG1-CG2 4.17Å; V56-V60 WeakPolarHBondContact O-CB 3.41Å; V56-V60 VanDerWaalsContact O-CG2 3.24Å; V56-V60 WeakPolarHBondContact O-CG2 3.44Å; V56-V60 PolarHBondContact O-N 3.44Å; S57-V60 PolarHBondContact O-N 3.44Å; V60-W62 VanDerWaalsContact C-N 3.28Å; V60-W62 PolarHBondContact O-N 3.32Å; V60-I63 PolarHBondContact O-N 2.79Å; V60-I63 VanDerWaalsContact O-N 3.1Å; V60-F64 HydrophobicContact CG1-CD2 3.87Å; V60-F64 HydrophobicContact CG1-CE2 4.3Å; V60-F64 WeakPolarHBondContact O-CD2 3.24Å; V60-F64 PolarHBondContact O-N 3.1Å
61N71.5Confident72.3Confident109 Ų109102 Ų10258%0.58356%0.556SS**Hα-helixtrans-60.9-38.5175.5-170.563.1000111.8S57 N58 I63 G65S57-N61 WeakPolarHBondContact O-CB 3.34Å; S57-N61 PolarHBondContact O-N 3.46Å; N58-N61 PolarHBondContact O-N 2.9Å; N61-I63 VanDerWaalsContact C-N 3.3Å; N61-I63 PolarHBondContact O-N 3.07Å; N61-G65 WeakPolarHBondContact O-CA 3.27Å; N61-G65 PolarHBondContact O-N 3.25Å
62W75.8Confident72.5Confident202 Ų202102.5 Ų102.577%0.76557%0.567SS**Hα-helixtrans-67.7-26.6174.9-175.779.3000113.8N58 M59 V60N58-W62 WeakPolarHBondContact O-CB 3.3Å; N58-W62 PolarHBondContact O-N 3.27Å; M59-W62 PolarHBondContact O-N 3.4Å; V60-W62 VanDerWaalsContact C-N 3.28Å; V60-W62 PolarHBondContact O-N 3.32Å
63I79Confident72.3Confident94 Ų94103.6 Ų103.648%0.48257%0.569SS.*Hα-helixtrans-82.6-36.3178.2-68.6166.5000111.9M59 V60 N61M59-I63 HydrophobicContact CE-CD1 4.28Å; M59-I63 HydrophobicContact CG-CD1 4.15Å; M59-I63 VanDerWaalsContact O-CG1 3.27Å; M59-I63 WeakPolarHBondContact O-CG1 3.42Å; M59-I63 PolarHBondContact O-N 3.02Å; M59-I63 VanDerWaalsContact O-N 3.07Å; V60-I63 PolarHBondContact O-N 2.79Å; V60-I63 VanDerWaalsContact O-N 3.1Å; N61-I63 VanDerWaalsContact C-N 3.3Å; N61-I63 PolarHBondContact O-N 3.07Å
64F74.8Confident71.9Confident173 Ų173101.1 Ų101.176%0.75957%0.568SS**Hα-helixtrans-110.3-9.1-170.6-69.9-80.2000115.4V60V60-F64 HydrophobicContact CG1-CD2 3.87Å; V60-F64 HydrophobicContact CG1-CE2 4.3Å; V60-F64 WeakPolarHBondContact O-CD2 3.24Å; V60-F64 PolarHBondContact O-N 3.1Å
65G55.2Low72.4Confident107 Ų107108.2 Ų108.2100%1.10361%0.605SS**  trans-1090175.900000111.8N61N61-G65 WeakPolarHBondContact O-CA 3.27Å; N61-G65 PolarHBondContact O-N 3.25Å

Retrieved 65 of 65 residues in 86.8 ms (Link to these results)