A0A5K4EL22_SCHMA Loading...

Regulatory protein zeste

AlphaFold DB , UniProt , Accession A0A5K4EL22, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 93 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.2Very low51.1Low242 Ų242153.6 Ų153.6100%1.19283%0.825SS**  0103.80-76.6-179.2152.800108.3S3M1-S3 PolarHBondContact O-N 3.05Å
2T46.6Very low51.6Low146 Ų146149.8 Ų149.890%0.89682%0.815SS**  trans-80110.5-176.935.20000110.3A4T2-A4 PolarHBondContact O-N 3Å
3S53.3Low51.5Low116 Ų116156 Ų15681%0.81182%0.819SS**  trans-59.6114.8174.9-59.10000110.7M1 K5M1-S3 PolarHBondContact O-N 3.05Å; S3-K5 PolarHBondContact O-N 3.4Å
4A53.1Low51.6Low94 Ų94150.1 Ų150.178%0.77779%0.787SS**  trans-62.4108.8168.300000108.7T2 K6T2-A4 PolarHBondContact O-N 3Å; A4-K6 PolarHBondContact O-N 3.31Å
5K53.1Low51.1Low200 Ų200156 Ų15687%0.8780%0.795SS**  trans-61.4100166.7-76-177.9177.7178.70107.2S3 Q7S3-K5 PolarHBondContact O-N 3.4Å; K5-Q7 PolarHBondContact O-N 2.97Å
6K54.1Low51.2Low203 Ų203151.3 Ų151.388%0.88380%0.796SS**  trans-55.1108.6169.2-83.6-178.1175178.60107.5A4A4-K6 PolarHBondContact O-N 3.31Å
7Q52.9Low51.2Low181 Ų181146.1 Ų146.185%0.84677%0.769SS**  trans-61.1140170.2-76-170.3-23.900108.8K5 Y9K5-Q7 PolarHBondContact O-N 2.97Å; Q7-Y9 PolarHBondContact O-N 3.08Å
8P56.1Low51.3Low119 Ų119141.3 Ų141.377%0.77375%0.75SS**  trans-60136.3175.524.7-31.6000109.4A10P8-A10 PolarHBondContact O-N 2.7Å
9Y49.9Very low51.6Low224 Ų224137 Ų13788%0.87874%0.742SS**  trans-56.9109.1-177.9-158.4-91.8000110.1Q7 N11Q7-Y9 PolarHBondContact O-N 3.08Å; Y9-N11 PolarHBondContact O-N 2.86Å
10A49.8Very low52Low91 Ų91136.2 Ų136.275%0.75274%0.737SS**  trans-90.798.6176.500000108.7P8 P12P8-A10 PolarHBondContact O-N 2.7Å; A10-P12 VanDerWaalsContact O-CD 3.31Å; A10-P12 WeakPolarHBondContact O-CD 3.36Å
11N49.9Very low52.8Low74 Ų74133.3 Ų133.340%0.39672%0.722SS.*  trans-69.1117.7174-174.6-20.9000109.5Y9 R13 I14Y9-N11 PolarHBondContact O-N 2.86Å; N11-R13 PolarHBondContact O-N 3.22Å; N11-R13 VanDerWaalsContact O-N 3.09Å; N11-R13 PolarHBondContact OD1-N 2.97Å; N11-R13 VanDerWaalsContact OD1-N 3.13Å; N11-I14 HydrophobicContact CB-CD1 3.92Å; N11-I14 HydrophobicContact CB-CG1 4.1Å; N11-I14 PolarHBondContact O-N 2.95Å; N11-I14 VanDerWaalsContact O-N 3.1Å
12P56.9Low54.1Low108 Ų108127.1 Ų127.170%0.70169%0.688SS**G310 helixtrans-59.6-23.3-176.3-22.832.7000114.3A10 I14A10-P12 VanDerWaalsContact O-CD 3.31Å; A10-P12 WeakPolarHBondContact O-CD 3.36Å; P12-I14 PolarHBondContact O-N 3.39Å
13R51.2Low55.6Low230 Ų230127.3 Ų127.387%0.86868%0.676SS**G310 helixtrans-75.4-7.2179.2-69.1-179171.3153.5-2.3114.3N11N11-R13 PolarHBondContact O-N 3.22Å; N11-R13 VanDerWaalsContact O-N 3.09Å; N11-R13 PolarHBondContact OD1-N 2.97Å; N11-R13 VanDerWaalsContact OD1-N 3.13Å
14I52.2Low56.6Low73 Ų73126.5 Ų126.537%0.37466%0.66SS.*G310 helixtrans-106.41.8-176.6-51-177.9000111.1N11 P12 G16 I17N11-I14 HydrophobicContact CB-CD1 3.92Å; N11-I14 HydrophobicContact CB-CG1 4.1Å; N11-I14 PolarHBondContact O-N 2.95Å; N11-I14 VanDerWaalsContact O-N 3.1Å; P12-I14 PolarHBondContact O-N 3.39Å; I14-G16 PolarHBondContact O-N 2.95Å; I14-G16 VanDerWaalsContact O-N 3.13Å; I14-I17 HydrophobicContact CG2-CB 4.4Å; I14-I17 HydrophobicContact CG2-CD1 4.23Å; I14-I17 PolarHBondContact O-N 3.2Å
15R43.8Very low57.9Low239 Ų239125 Ų12590%0.90264%0.641SS**THydrogen-bonded Turntrans-72.4108.7-178.3-144.7-175.4-124.2-163.72.2109.6
16G53.9Low59.2Low80 Ų80119.7 Ų119.783%0.82562%0.622SS**THydrogen-bonded Turntrans123.4-2.6178.900000115.3I14I14-G16 PolarHBondContact O-N 2.95Å; I14-G16 VanDerWaalsContact O-N 3.13Å
17I49.7Very low60.4Low63 Ų63118.4 Ų118.432%0.32361%0.611SS.*  trans-92.7112.9-179.3-62.2-174.4000107.4I14 D21 K22 V25I14-I17 HydrophobicContact CG2-CB 4.4Å; I14-I17 HydrophobicContact CG2-CD1 4.23Å; I14-I17 PolarHBondContact O-N 3.2Å; I17-D21 HydrophobicContact CB-CB 4.19Å; I17-D21 HydrophobicContact CG2-CB 3.26Å; I17-K22 VanDerWaalsContact CG2-CA 3.48Å; I17-K22 HydrophobicContact CG2-CB 3.85Å; I17-V25 HydrophobicContact CD1-CG2 4.35Å
18S53.4Low61.6Low61 Ų61115.5 Ų115.543%0.42760%0.596SS.*  trans-61.9165.6177.882.70000110.7D20 D21 K22S18-D20 PolarHBondContact O-N 3.2Å; S18-D20 VanDerWaalsContact O-N 3.09Å; S18-D21 VanDerWaalsContact CB-OD2 3.23Å; S18-D21 WeakPolarHBondContact CB-OD2 3.23Å; S18-D21 PolarHBondContact N-OD2 2.83Å; S18-D21 PolarHBondContact O-N 3.08Å; S18-D21 PolarHBondContact OG-OD2 3.09Å; S18-K22 PolarHBondContact O-N 3.49Å
19G56.9Low62.7Low59 Ų59114.2 Ų114.261%0.60858%0.582SS**Hα-helixtrans-54.8-31.5-177.100000114
20D60.5Low64Low121 Ų121109.8 Ų109.865%0.64757%0.569SS**Hα-helixtrans-77.7-41.7174.8-73.2-28.8000111.8S18 K22 K23 E24S18-D20 PolarHBondContact O-N 3.2Å; S18-D20 VanDerWaalsContact O-N 3.09Å; D20-K22 PolarHBondContact O-N 3.11Å; D20-K23 PolarHBondContact O-N 3.05Å; D20-E24 PolarHBondContact O-N 3.37Å
21D67.5Low65Low76 Ų76109.3 Ų109.341%0.40655%0.554SS.*Hα-helixtrans-61.4-33.7176.5-57.1-49.1000111.4I17 S18 E24 V25I17-D21 HydrophobicContact CB-CB 4.19Å; I17-D21 HydrophobicContact CG2-CB 3.26Å; S18-D21 VanDerWaalsContact CB-OD2 3.23Å; S18-D21 WeakPolarHBondContact CB-OD2 3.23Å; S18-D21 PolarHBondContact N-OD2 2.83Å; S18-D21 PolarHBondContact O-N 3.08Å; S18-D21 PolarHBondContact OG-OD2 3.09Å; D21-E24 PolarHBondContact O-N 3.01Å; D21-V25 VanDerWaalsContact O-CB 3.31Å; D21-V25 WeakPolarHBondContact O-CB 3.04Å; D21-V25 WeakPolarHBondContact O-CG2 3.4Å; D21-V25 PolarHBondContact O-N 2.96Å
22K72.1Confident65.9Low111 Ų111111.1 Ų111.148%0.48356%0.563SS.*Hα-helixtrans-70.9-38.6-179.2-172.6178.1177.6-178.20111.2I17 S18 D20 L26I17-K22 VanDerWaalsContact CG2-CA 3.48Å; I17-K22 HydrophobicContact CG2-CB 3.85Å; S18-K22 PolarHBondContact O-N 3.49Å; D20-K22 PolarHBondContact O-N 3.11Å; K22-L26 HydrophobicContact CG-CD1 4.36Å; K22-L26 WeakPolarHBondContact O-CB 3.44Å; K22-L26 WeakPolarHBondContact O-CG 3.33Å; K22-L26 PolarHBondContact O-N 2.96Å
23K77.3Confident66.6Low151 Ų151110.2 Ų110.266%0.65756%0.558SS**Hα-helixtrans-66.3-41.3173.2-74178.7-178.21710110.7D20 L26 R27D20-K23 PolarHBondContact O-N 3.05Å; K23-L26 PolarHBondContact O-N 3.37Å; K23-R27 WeakPolarHBondContact O-CB 3.43Å; K23-R27 PolarHBondContact O-N 3.04Å
24E75.4Confident67.4Low99 Ų99108.7 Ų108.746%0.46355%0.552SS.*Hα-helixtrans-67.5-40.9178.8-170.3163.9151.200112.1D20 D21 R27 K28D20-E24 PolarHBondContact O-N 3.37Å; D21-E24 PolarHBondContact O-N 3.01Å; E24-R27 PolarHBondContact O-N 2.93Å; E24-K28 HydrophobicContact CG-CD 4.4Å; E24-K28 WeakPolarHBondContact O-CG 3.4Å; E24-K28 PolarHBondContact O-N 3.41Å; E24-K28 VanDerWaalsContact OE1-CE 3.29Å; E24-K28 WeakPolarHBondContact OE1-CE 3.41Å; E24-K28 IonicContact OE1-NZ 2.77Å; E24-K28 PolarHBondContact OE1-NZ 3.37Å
25V78.8Confident67.8Low62 Ų62110.7 Ų110.738%0.37656%0.556SS.*Hα-helixtrans-63.7-43.7174.1168.10000111.1I17 D21 R27 K28 L29I17-V25 HydrophobicContact CD1-CG2 4.35Å; D21-V25 VanDerWaalsContact O-CB 3.31Å; D21-V25 WeakPolarHBondContact O-CB 3.04Å; D21-V25 WeakPolarHBondContact O-CG2 3.4Å; D21-V25 PolarHBondContact O-N 2.96Å; V25-R27 VanDerWaalsContact C-N 3.33Å; V25-R27 PolarHBondContact O-N 2.9Å; V25-K28 PolarHBondContact O-N 3.23Å; V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 WeakPolarHBondContact O-CB 3.5Å; V25-L29 PolarHBondContact O-N 3.47Å
26L81.5Confident68.5Low89 Ų89105.2 Ų105.247%0.46654%0.544SS..Hα-helixtrans-61.7-40.5173.7-85.7162.9000112K22 K23 L29 Q30K22-L26 HydrophobicContact CG-CD1 4.36Å; K22-L26 WeakPolarHBondContact O-CB 3.44Å; K22-L26 WeakPolarHBondContact O-CG 3.33Å; K22-L26 PolarHBondContact O-N 2.96Å; K23-L26 PolarHBondContact O-N 3.37Å; L26-L29 PolarHBondContact O-N 3.23Å; L26-Q30 WeakPolarHBondContact O-CB 3.31Å; L26-Q30 WeakPolarHBondContact O-CG 3.45Å; L26-Q30 PolarHBondContact O-N 3.48Å
27R78.3Confident68.8Low175 Ų175103.8 Ų103.866%0.6652%0.522SS*.Hα-helixtrans-63.7-44.9176.5-172-176.2174179.1-0.8111.3K23 E24 V25 Q30 L31K23-R27 WeakPolarHBondContact O-CB 3.43Å; K23-R27 PolarHBondContact O-N 3.04Å; E24-R27 PolarHBondContact O-N 2.93Å; V25-R27 VanDerWaalsContact C-N 3.33Å; V25-R27 PolarHBondContact O-N 2.9Å; R27-Q30 PolarHBondContact O-N 3.32Å; R27-L31 HydrophobicContact CG-CD1 4.26Å; R27-L31 WeakPolarHBondContact O-CB 3.14Å; R27-L31 PolarHBondContact O-N 2.92Å
28K78Confident69.5Low121 Ų121108.8 Ų108.853%0.52654%0.544SS..Hα-helixtrans-63.2-42.1175.8-74.1174.5-176.51650111.7E24 V25 L31 L32E24-K28 HydrophobicContact CG-CD 4.4Å; E24-K28 WeakPolarHBondContact O-CG 3.4Å; E24-K28 PolarHBondContact O-N 3.41Å; E24-K28 VanDerWaalsContact OE1-CE 3.29Å; E24-K28 WeakPolarHBondContact OE1-CE 3.41Å; E24-K28 IonicContact OE1-NZ 2.77Å; E24-K28 PolarHBondContact OE1-NZ 3.37Å; V25-K28 PolarHBondContact O-N 3.23Å; K28-L31 WeakPolarHBondContact O-CB 3.44Å; K28-L31 PolarHBondContact O-N 2.65Å; K28-L32 WeakPolarHBondContact O-CB 3.47Å; K28-L32 WeakPolarHBondContact O-CG 3.39Å; K28-L32 PolarHBondContact O-N 3.12Å
29L78.7Confident70.3Confident92 Ų92111.1 Ų111.148%0.48255%0.551SS.*Hα-helixtrans-63.3-42.8174.4-90.8156.5000112.6V25 L26 L31 L32 C33V25-L29 HydrophobicContact CG1-CD1 3.91Å; V25-L29 WeakPolarHBondContact O-CB 3.5Å; V25-L29 PolarHBondContact O-N 3.47Å; L26-L29 PolarHBondContact O-N 3.23Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L29-L32 PolarHBondContact O-N 2.74Å; L29-C33 WeakPolarHBondContact O-CB 3.29Å; L29-C33 PolarHBondContact O-N 2.92Å; L29-C33 PolarHBondContact O-SG 2.88Å
30Q78.3Confident71Confident130 Ų130113 Ų11361%0.60754%0.544SS*.Hα-helixtrans-64.6-39.1175.9-78.5178-16.300112.3L26 R27 R34L26-Q30 WeakPolarHBondContact O-CB 3.31Å; L26-Q30 WeakPolarHBondContact O-CG 3.45Å; L26-Q30 PolarHBondContact O-N 3.48Å; R27-Q30 PolarHBondContact O-N 3.32Å; Q30-R34 WeakPolarHBondContact O-CG 3.45Å; Q30-R34 PolarHBondContact O-N 3.1Å; Q30-R34 VanDerWaalsContact O-N 3.08Å
31L71.6Confident71.5Confident82 Ų82112.8 Ų112.843%0.42954%0.541SS..Hα-helixtrans-60.8-51.7172.5-108.1128000110.3R27 K28 L29 C33 R34 Y35R27-L31 HydrophobicContact CG-CD1 4.26Å; R27-L31 WeakPolarHBondContact O-CB 3.14Å; R27-L31 PolarHBondContact O-N 2.92Å; K28-L31 WeakPolarHBondContact O-CB 3.44Å; K28-L31 PolarHBondContact O-N 2.65Å; L29-L31 VanDerWaalsContact C-N 3.34Å; L31-C33 PolarHBondContact O-N 3.4Å; L31-R34 WeakPolarHBondContact O-CB 3.36Å; L31-R34 PolarHBondContact O-N 3.06Å; L31-R34 VanDerWaalsContact O-N 3.11Å; L31-Y35 HydrophobicContact CD2-CD2 4.12Å; L31-Y35 HydrophobicContact CD2-CE2 3.63Å; L31-Y35 WeakPolarHBondContact O-CD2 3.35Å; L31-Y35 PolarHBondContact O-N 3.32Å
32L68.8Low71.8Confident112 Ų112111.2 Ų111.259%0.58654%0.539SS*.Hα-helixtrans-54.2-53.9175.8-78.2163.6000110.5K28 L29 R34 Y35 D36K28-L32 WeakPolarHBondContact O-CB 3.47Å; K28-L32 WeakPolarHBondContact O-CG 3.39Å; K28-L32 PolarHBondContact O-N 3.12Å; L29-L32 PolarHBondContact O-N 2.74Å; L32-R34 PolarHBondContact O-N 2.9Å; L32-R34 VanDerWaalsContact O-N 3.12Å; L32-Y35 CarbonylContact O-C 3.57Å; L32-Y35 WeakPolarHBondContact O-CA 3.48Å; L32-Y35 PolarHBondContact O-N 2.92Å; L32-D36 WeakPolarHBondContact O-CA 3.24Å; L32-D36 VanDerWaalsContact O-CB 3.23Å; L32-D36 WeakPolarHBondContact O-CB 3.39Å; L32-D36 PolarHBondContact O-N 3.36Å
33C70.4Confident72.2Confident89 Ų89109.8 Ų109.860%0.60154%0.536SS*.Hα-helixtrans-59.9-26.3179.4-68.10000114.8L29 L31L29-C33 WeakPolarHBondContact O-CB 3.29Å; L29-C33 PolarHBondContact O-N 2.92Å; L29-C33 PolarHBondContact O-SG 2.88Å; L31-C33 PolarHBondContact O-N 3.4Å
34R67.9Low72.5Confident197 Ų197107 Ų10774%0.74353%0.528SS*.Hα-helixtrans-72.1-44.5171.5-76.3-177-179.2-157.20.4111.1Q30 L31 L32 D36Q30-R34 WeakPolarHBondContact O-CG 3.45Å; Q30-R34 PolarHBondContact O-N 3.1Å; Q30-R34 VanDerWaalsContact O-N 3.08Å; L31-R34 WeakPolarHBondContact O-CB 3.36Å; L31-R34 PolarHBondContact O-N 3.06Å; L31-R34 VanDerWaalsContact O-N 3.11Å; L32-R34 PolarHBondContact O-N 2.9Å; L32-R34 VanDerWaalsContact O-N 3.12Å; R34-D36 VanDerWaalsContact C-N 3.34Å
35Y62.1Low72.8Confident116 Ų116108.1 Ų108.146%0.45553%0.533SS..Hα-helixtrans-80.6-12.2178.6-70.7-71000114L31 L32 S37 M41L31-Y35 HydrophobicContact CD2-CD2 4.12Å; L31-Y35 HydrophobicContact CD2-CE2 3.63Å; L31-Y35 WeakPolarHBondContact O-CD2 3.35Å; L31-Y35 PolarHBondContact O-N 3.32Å; L32-Y35 CarbonylContact O-C 3.57Å; L32-Y35 WeakPolarHBondContact O-CA 3.48Å; L32-Y35 PolarHBondContact O-N 2.92Å; Y35-S37 PolarHBondContact O-N 3.39Å; Y35-M41 VanDerWaalsContact O-CG 3.3Å; Y35-M41 WeakPolarHBondContact O-CG 3.37Å
36D58.3Low73.1Confident124 Ų124108.3 Ų108.366%0.66354%0.535SS*.THydrogen-bonded Turntrans-77.20.8178.6-148.629.5000112.1L32 R34 E38L32-D36 WeakPolarHBondContact O-CA 3.24Å; L32-D36 VanDerWaalsContact O-CB 3.23Å; L32-D36 WeakPolarHBondContact O-CB 3.39Å; L32-D36 PolarHBondContact O-N 3.36Å; R34-D36 VanDerWaalsContact C-N 3.34Å; D36-E38 PolarHBondContact O-N 3.49Å
37S60.4Low73.3Confident49 Ų49107.5 Ų107.534%0.34353%0.533SS..  trans-6697.1156.275.40000106.3Y35 N39 E40Y35-S37 PolarHBondContact O-N 3.39Å; S37-N39 CarbonylContact O-C 3.38Å; S37-N39 PolarHBondContact O-N 3.35Å; S37-E40 PolarHBondContact O-N 2.87Å; S37-E40 WeakPolarHBondContact OG-CB 3.49Å; S37-E40 WeakPolarHBondContact OG-CG 3.23Å
38E63.1Low73.7Confident168 Ų168102 Ų10279%0.78552%0.519SS*.Hα-helixtrans-42.8-32.4178.9-72.2177.9154.400111.8D36 A42D36-E38 PolarHBondContact O-N 3.49Å; E38-A42 WeakPolarHBondContact O-CB 3.48Å; E38-A42 PolarHBondContact O-N 2.91Å
39N70.7Confident74.1Confident111 Ų11199.4 Ų99.459%0.59451%0.511SS*.Hα-helixtrans-60.6-42.9175.3-167.246000114.5S37 N43S37-N39 CarbonylContact O-C 3.38Å; S37-N39 PolarHBondContact O-N 3.35Å; N39-N43 WeakPolarHBondContact O-CB 3.11Å; N39-N43 PolarHBondContact O-N 2.98Å; N39-N43 PolarHBondContact O-ND2 2.96Å; N39-N43 PolarHBondContact OD1-ND2 3.12Å
40E70.8Confident74.6Confident97 Ų97101.4 Ų101.445%0.45352%0.516SS..Hα-helixtrans-71-42.3178.9-79.5-174.3172.100111.9S37 N43 L44S37-E40 PolarHBondContact O-N 2.87Å; S37-E40 WeakPolarHBondContact OG-CB 3.49Å; S37-E40 WeakPolarHBondContact OG-CG 3.23Å; E40-N43 PolarHBondContact O-N 2.95Å; E40-L44 WeakPolarHBondContact O-CB 3.39Å; E40-L44 PolarHBondContact O-N 2.77Å
41M71.5Confident75.2Confident117 Ų117104.1 Ų104.158%0.57652%0.52SS*.Hα-helixtrans-63.6-45.4174.6-84.2-84.3-81.300111.6Y35 N43 L44 E45Y35-M41 VanDerWaalsContact O-CG 3.3Å; Y35-M41 WeakPolarHBondContact O-CG 3.37Å; M41-N43 VanDerWaalsContact C-N 3.32Å; M41-N43 PolarHBondContact O-N 2.72Å; M41-L44 WeakPolarHBondContact O-CB 3.34Å; M41-L44 PolarHBondContact O-N 2.89Å; M41-E45 WeakPolarHBondContact O-CB 3.46Å; M41-E45 PolarHBondContact O-N 3.47Å
42A72.9Confident75.9Confident44 Ų44103 Ų10336%0.36451%0.512SS..Hα-helixtrans-63.1-37.5175.300000112.1E38 T46E38-A42 WeakPolarHBondContact O-CB 3.48Å; E38-A42 PolarHBondContact O-N 2.91Å; A42-T46 WeakPolarHBondContact O-CB 3.29Å; A42-T46 PolarHBondContact O-N 2.83Å; A42-T46 PolarHBondContact O-OG1 3.2Å
43N81.5Confident76.8Confident81 Ų81102.7 Ų102.743%0.43351%0.508SS..Hα-helixtrans-66.6-41.7173.5-79.6-38.7000111.8N39 E40 M41 T46 V47N39-N43 WeakPolarHBondContact O-CB 3.11Å; N39-N43 PolarHBondContact O-N 2.98Å; N39-N43 PolarHBondContact O-ND2 2.96Å; N39-N43 PolarHBondContact OD1-ND2 3.12Å; E40-N43 PolarHBondContact O-N 2.95Å; M41-N43 VanDerWaalsContact C-N 3.32Å; M41-N43 PolarHBondContact O-N 2.72Å; N43-T46 PolarHBondContact O-N 2.92Å; N43-V47 WeakPolarHBondContact O-CB 3.31Å; N43-V47 VanDerWaalsContact O-CG2 3.24Å; N43-V47 WeakPolarHBondContact O-CG2 3.37Å; N43-V47 PolarHBondContact O-N 3.39Å
44L82.6Confident77.7Confident91 Ų91100.8 Ų100.848%0.47650%0.499SS..Hα-helixtrans-61-44.8175.2-108156.6000111.5E40 M41 V47 T48E40-L44 WeakPolarHBondContact O-CB 3.39Å; E40-L44 PolarHBondContact O-N 2.77Å; M41-L44 WeakPolarHBondContact O-CB 3.34Å; M41-L44 PolarHBondContact O-N 2.89Å; L44-V47 PolarHBondContact O-N 3.36Å; L44-T48 VanDerWaalsContact O-CB 3.24Å; L44-T48 WeakPolarHBondContact O-CB 3.42Å; L44-T48 PolarHBondContact O-N 2.87Å; L44-T48 PolarHBondContact O-OG1 3.13Å
45E82.8Confident78.6Confident124 Ų12493.4 Ų93.458%0.57948%0.479SS*.Hα-helixtrans-61.9-46.5174.9-177.4169.9-155.300111.3M41 V47 T48 N49M41-E45 WeakPolarHBondContact O-CB 3.46Å; M41-E45 PolarHBondContact O-N 3.47Å; E45-V47 PolarHBondContact O-N 3.26Å; E45-T48 PolarHBondContact O-N 2.89Å; E45-N49 WeakPolarHBondContact O-CB 3.48Å; E45-N49 PolarHBondContact O-N 3.11Å
46T84.5Confident79.8Confident66 Ų6693.3 Ų93.341%0.40548%0.479SS..Hα-helixtrans-60-46.1177.2-60.30000111.8A42 N43 N49 K50A42-T46 WeakPolarHBondContact O-CB 3.29Å; A42-T46 PolarHBondContact O-N 2.83Å; A42-T46 PolarHBondContact O-OG1 3.2Å; N43-T46 PolarHBondContact O-N 2.92Å; T46-N49 PolarHBondContact O-N 3.47Å; T46-K50 WeakPolarHBondContact O-CG 3.17Å; T46-K50 PolarHBondContact O-N 2.91Å
47V86Confident81.2Confident71 Ų7193.9 Ų93.943%0.4348%0.475SS..Hα-helixtrans-64.6-43.4177.7169.20000110.1N43 L44 E45 N49 K50 W51N43-V47 WeakPolarHBondContact O-CB 3.31Å; N43-V47 VanDerWaalsContact O-CG2 3.24Å; N43-V47 WeakPolarHBondContact O-CG2 3.37Å; N43-V47 PolarHBondContact O-N 3.39Å; L44-V47 PolarHBondContact O-N 3.36Å; E45-V47 PolarHBondContact O-N 3.26Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 2.7Å; V47-K50 WeakPolarHBondContact O-CB 3.42Å; V47-K50 PolarHBondContact O-N 2.94Å; V47-W51 PolarHBondContact O-N 3.35Å
48T87Confident82.4Confident61 Ų6193.7 Ų93.737%0.37448%0.477SS..Hα-helixtrans-60.1-43.6176.8-59.90000111.2L44 E45 K50 W51 K52L44-T48 VanDerWaalsContact O-CB 3.24Å; L44-T48 WeakPolarHBondContact O-CB 3.42Å; L44-T48 PolarHBondContact O-N 2.87Å; L44-T48 PolarHBondContact O-OG1 3.13Å; E45-T48 PolarHBondContact O-N 2.89Å; T48-K50 PolarHBondContact O-N 2.93Å; T48-W51 PolarHBondContact O-N 3.37Å; T48-K52 HydrophobicContact CG2-CD 4.49Å; T48-K52 WeakPolarHBondContact O-CG 3.24Å; T48-K52 PolarHBondContact O-N 3.25Å
49N85.7Confident83.5Confident65 Ų6586.1 Ų86.135%0.34844%0.442SS..Hα-helixtrans-64.5-38.7176.9-76.5-20.3000112.5E45 T46 V47 K52 Q53E45-N49 WeakPolarHBondContact O-CB 3.48Å; E45-N49 PolarHBondContact O-N 3.11Å; T46-N49 PolarHBondContact O-N 3.47Å; V47-N49 VanDerWaalsContact C-N 3.33Å; V47-N49 PolarHBondContact O-N 2.7Å; N49-K52 PolarHBondContact O-N 3Å; N49-Q53 PolarHBondContact O-N 3.09Å
50K89.6Confident84.1Confident134 Ų13487.5 Ų87.558%0.58344%0.439SS*.Hα-helixtrans-62-43.5173.2-73174.1-179.4175.30111.9T46 V47 T48 Q53 A54T46-K50 WeakPolarHBondContact O-CG 3.17Å; T46-K50 PolarHBondContact O-N 2.91Å; V47-K50 WeakPolarHBondContact O-CB 3.42Å; V47-K50 PolarHBondContact O-N 2.94Å; T48-K50 PolarHBondContact O-N 2.93Å; K50-Q53 PolarHBondContact O-N 2.82Å; K50-A54 WeakPolarHBondContact O-CB 3.43Å; K50-A54 PolarHBondContact O-N 3.34Å
51W90Very high84.8Confident187 Ų18789.4 Ų89.471%0.70845%0.448SS*.Hα-helixtrans-64.8-41.6175.8-79.7109.3000112.3V47 T48 A54 A55V47-W51 PolarHBondContact O-N 3.35Å; T48-W51 PolarHBondContact O-N 3.37Å; W51-A54 PolarHBondContact O-N 2.95Å; W51-A55 WeakPolarHBondContact O-CB 3.4Å; W51-A55 PolarHBondContact O-N 2.87Å
52K88.1Confident85.4Confident59 Ų5988.5 Ų88.526%0.25745%0.445SS..Hα-helixtrans-60-45.8173.8-72.7-177.5-178-169.70111.7T48 N49 A54 A55 W56 T85 L88T48-K52 HydrophobicContact CG2-CD 4.49Å; T48-K52 WeakPolarHBondContact O-CG 3.24Å; T48-K52 PolarHBondContact O-N 3.25Å; N49-K52 PolarHBondContact O-N 3Å; K52-A54 PolarHBondContact O-N 3.21Å; K52-A55 PolarHBondContact O-N 2.87Å; K52-W56 WeakPolarHBondContact O-CB 3.47Å; K52-W56 PolarHBondContact O-N 2.98Å; K52-T85 WeakPolarHBondContact CE-O 3.37Å; K52-L88 HydrophobicContact CB-CD2 4.05Å; K52-L88 HydrophobicContact CB-CG 4.35Å
53Q87.8Confident85.9Confident105 Ų10588.4 Ų88.449%0.49144%0.438SS..Hα-helixtrans-60.7-42.7174.7-82.5-175.4-11.600112.6N49 K50 W56 K57 L88N49-Q53 PolarHBondContact O-N 3.09Å; K50-Q53 PolarHBondContact O-N 2.82Å; Q53-W56 PolarHBondContact O-N 3.25Å; Q53-K57 WeakPolarHBondContact O-CG 3.24Å; Q53-K57 PolarHBondContact O-N 2.84Å; Q53-L88 HydrophobicContact CB-CD1 4.46Å; Q53-L88 HydrophobicContact CG-CD1 3.6Å; Q53-L88 HydrophobicContact CG-CD2 4.22Å
54A88.9Confident85.9Confident50 Ų5087.9 Ų87.941%0.41344%0.441SS..Hα-helixtrans-64-44.7177.800000111.5K50 W51 K52 W56 K57 A58K50-A54 WeakPolarHBondContact O-CB 3.43Å; K50-A54 PolarHBondContact O-N 3.34Å; W51-A54 PolarHBondContact O-N 2.95Å; K52-A54 PolarHBondContact O-N 3.21Å; A54-W56 VanDerWaalsContact C-N 3.34Å; A54-W56 PolarHBondContact O-N 2.69Å; A54-K57 PolarHBondContact O-N 3.38Å; A54-A58 PolarHBondContact O-N 2.84Å
55A87.2Confident85.8Confident41 Ų4192.6 Ų92.634%0.33946%0.458SS..Hα-helixtrans-61.8-42.5175.700000111.7W51 K52 A58 L59 I86W51-A55 WeakPolarHBondContact O-CB 3.4Å; W51-A55 PolarHBondContact O-N 2.87Å; K52-A55 PolarHBondContact O-N 2.87Å; A55-A58 PolarHBondContact O-N 3.38Å; A55-L59 WeakPolarHBondContact O-CB 3.37Å; A55-L59 PolarHBondContact O-N 3.48Å; A55-I86 HydrophobicContact CB-CG2 3.9Å
56W85.8Confident85.3Confident115 Ų11588.5 Ų88.544%0.43644%0.443SS..Hα-helixtrans-65.8-40.1178.2-160.580.1000112.3K52 Q53 A54 L59 Y60K52-W56 WeakPolarHBondContact O-CB 3.47Å; K52-W56 PolarHBondContact O-N 2.98Å; Q53-W56 PolarHBondContact O-N 3.25Å; A54-W56 VanDerWaalsContact C-N 3.34Å; A54-W56 PolarHBondContact O-N 2.69Å; W56-L59 WeakPolarHBondContact O-CB 3.46Å; W56-L59 PolarHBondContact O-N 3.24Å; W56-Y60 WeakPolarHBondContact O-CB 3.47Å; W56-Y60 PolarHBondContact O-N 3.45Å
57K87.5Confident84.7Confident135 Ų13587.3 Ų87.359%0.58744%0.444SS*.Hα-helixtrans-62-46.4172.4-77.2-179.2178.4-178.40112.3Q53 A54 L59 Y60 E61Q53-K57 WeakPolarHBondContact O-CG 3.24Å; Q53-K57 PolarHBondContact O-N 2.84Å; A54-K57 PolarHBondContact O-N 3.38Å; K57-L59 VanDerWaalsContact C-N 3.28Å; K57-L59 PolarHBondContact O-N 3.03Å; K57-Y60 PolarHBondContact O-N 3.22Å; K57-E61 WeakPolarHBondContact O-CG 3.41Å; K57-E61 PolarHBondContact O-N 2.82Å
58A87.1Confident83.8Confident46 Ų4693.7 Ų93.738%0.3847%0.469SS..Hα-helixtrans-61.5-38.6177.400000111.8A54 A55 E61 L62A54-A58 PolarHBondContact O-N 2.84Å; A55-A58 PolarHBondContact O-N 3.38Å; A58-E61 PolarHBondContact O-N 3.43Å; A58-L62 WeakPolarHBondContact O-CB 3.39Å; A58-L62 WeakPolarHBondContact O-CG 3.5Å; A58-L62 PolarHBondContact O-N 3.26Å
59L85.4Confident83Confident9 Ų999.7 Ų99.75%0.04749%0.49CS..Hα-helixtrans-63.8-45.1174.2-177.464.3000111.8A55 W56 K57 E61 L62 I63 E72 I75 L76 I86A55-L59 WeakPolarHBondContact O-CB 3.37Å; A55-L59 PolarHBondContact O-N 3.48Å; W56-L59 WeakPolarHBondContact O-CB 3.46Å; W56-L59 PolarHBondContact O-N 3.24Å; K57-L59 VanDerWaalsContact C-N 3.28Å; K57-L59 PolarHBondContact O-N 3.03Å; L59-E61 PolarHBondContact O-N 3.44Å; L59-L62 WeakPolarHBondContact O-CB 3.42Å; L59-L62 PolarHBondContact O-N 2.97Å; L59-I63 HydrophobicContact CG-CD1 4.14Å; L59-I63 VanDerWaalsContact O-CG1 3.31Å; L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 2.87Å; L59-E72 HydrophobicContact CD1-CG 4.28Å; L59-E72 HydrophobicContact CD2-CG 3.47Å; L59-E72 VanDerWaalsContact CD2-CG 3.47Å; L59-E72 WeakPolarHBondContact CD2-OE1 3.48Å; L59-E72 HydrophobicContact CG-CG 4Å; L59-I75 HydrophobicContact CD1-CB 3.96Å; L59-I75 HydrophobicContact CD1-CG2 3.58Å; L59-L76 HydrophobicContact CD1-CD2 3.94Å; L59-L76 HydrophobicContact CD1-CG 4.13Å; L59-L76 HydrophobicContact CD2-CD1 4.15Å; L59-L76 HydrophobicContact CD2-CD2 3.82Å; L59-L76 HydrophobicContact CD2-CG 4.09Å; L59-I86 HydrophobicContact CD2-CD1 3.58Å
60Y83.5Confident82.3Confident139 Ų13998 Ų9855%0.54548%0.482SS..Hα-helixtrans-62.7-40.9176.9-171.3-91.7000112.4W56 K57 I63 S64W56-Y60 WeakPolarHBondContact O-CB 3.47Å; W56-Y60 PolarHBondContact O-N 3.45Å; K57-Y60 PolarHBondContact O-N 3.22Å; Y60-I63 PolarHBondContact O-N 3.34Å; Y60-S64 WeakPolarHBondContact O-CB 3.36Å; Y60-S64 PolarHBondContact O-N 2.87Å; Y60-S64 PolarHBondContact O-OG 2.99Å
61E86.3Confident81.8Confident138 Ų13895.6 Ų95.665%0.64548%0.478SS*.Hα-helixtrans-62.5-42.7173.5-75.8178.3-17100111.6K57 A58 L59 S64 F65K57-E61 WeakPolarHBondContact O-CG 3.41Å; K57-E61 PolarHBondContact O-N 2.82Å; A58-E61 PolarHBondContact O-N 3.43Å; L59-E61 PolarHBondContact O-N 3.44Å; E61-S64 PolarHBondContact O-N 3.41Å; E61-F65 WeakPolarHBondContact O-CB 3.37Å; E61-F65 PolarHBondContact O-N 3.1Å
62L83.8Confident81.3Confident97 Ų9790.4 Ų90.451%0.50846%0.462SS..Hα-helixtrans-61.8-44.4175.6-84.5161.7000112.4A58 L59 F65 S66 I75A58-L62 WeakPolarHBondContact O-CB 3.39Å; A58-L62 WeakPolarHBondContact O-CG 3.5Å; A58-L62 PolarHBondContact O-N 3.26Å; L59-L62 WeakPolarHBondContact O-CB 3.42Å; L59-L62 PolarHBondContact O-N 2.97Å; L62-F65 PolarHBondContact O-N 3.4Å; L62-S66 WeakPolarHBondContact O-CB 3.45Å; L62-S66 PolarHBondContact O-N 3.45Å; L62-I75 HydrophobicContact CB-CD1 4.32Å; L62-I75 HydrophobicContact CD1-CG2 4.39Å
63I82.7Confident81Confident43 Ų4394.1 Ų94.122%0.22148%0.481CS..Hα-helixtrans-61.6-49.1176.3-67.3163.8000109.8L59 Y60 F65 S66 G67 E72 I75L59-I63 HydrophobicContact CG-CD1 4.14Å; L59-I63 VanDerWaalsContact O-CG1 3.31Å; L59-I63 WeakPolarHBondContact O-CG1 3.48Å; L59-I63 PolarHBondContact O-N 2.87Å; Y60-I63 PolarHBondContact O-N 3.34Å; I63-F65 VanDerWaalsContact C-N 3.27Å; I63-F65 PolarHBondContact O-N 3.46Å; I63-S66 PolarHBondContact O-N 2.83Å; I63-S66 PolarHBondContact O-OG 3.33Å; I63-S66 VanDerWaalsContact O-OG 3.09Å; I63-G67 PolarHBondContact O-N 2.87Å; I63-G67 VanDerWaalsContact O-N 3.11Å; I63-E72 HydrophobicContact CD1-CB 3.71Å; I63-E72 HydrophobicContact CD1-CG 3.97Å; I63-I75 HydrophobicContact CB-CD1 4.48Å; I63-I75 HydrophobicContact CG1-CD1 3.53Å
64S81.6Confident80.7Confident70 Ų7093.6 Ų93.649%0.4948%0.478SS..Hα-helixtrans-58.9-38.8179.2-60.80000112.1Y60 E61Y60-S64 WeakPolarHBondContact O-CB 3.36Å; Y60-S64 PolarHBondContact O-N 2.87Å; Y60-S64 PolarHBondContact O-OG 2.99Å; E61-S64 PolarHBondContact O-N 3.41Å
65F81.2Confident80.4Confident189 Ų18992.1 Ų92.183%0.82946%0.463SS*.Hα-helixtrans-70.1-34.8175.8-169.8-94.1000112.6E61 L62 I63 G67E61-F65 WeakPolarHBondContact O-CB 3.37Å; E61-F65 PolarHBondContact O-N 3.1Å; L62-F65 PolarHBondContact O-N 3.4Å; I63-F65 VanDerWaalsContact C-N 3.27Å; I63-F65 PolarHBondContact O-N 3.46Å; F65-G67 VanDerWaalsContact C-N 3.31Å; F65-G67 PolarHBondContact O-N 3.11Å
66S73Confident80.3Confident38 Ų3890.4 Ų90.427%0.26645%0.448SS..Hα-helixtrans-78.5-13.8-178.689.70000114.2L62 I63 T70L62-S66 WeakPolarHBondContact O-CB 3.45Å; L62-S66 PolarHBondContact O-N 3.45Å; I63-S66 PolarHBondContact O-N 2.83Å; I63-S66 PolarHBondContact O-OG 3.33Å; I63-S66 VanDerWaalsContact O-OG 3.09Å; S66-T70 WeakPolarHBondContact CB-OG1 3.18Å; S66-T70 WeakPolarHBondContact OG-CB 3.49Å; S66-T70 PolarHBondContact OG-OG1 3.36Å
67G70.7Confident80.3Confident41 Ų4189.1 Ų89.142%0.42346%0.457SS..G310 helixtrans66.8-155.7-172.700000112.6I63 F65 K69I63-G67 PolarHBondContact O-N 2.87Å; I63-G67 VanDerWaalsContact O-N 3.11Å; F65-G67 VanDerWaalsContact C-N 3.31Å; F65-G67 PolarHBondContact O-N 3.11Å; G67-K69 PolarHBondContact O-N 3.05Å; G67-K69 VanDerWaalsContact O-N 3.08Å
68E67.2Low80.2Confident205 Ų20590.7 Ų90.796%0.95846%0.464SS*.G310 helixtrans-67.2-3.1-178.9-101-178.217400115.1
69K70.8Confident80Confident187 Ų18793.1 Ų93.181%0.81347%0.474SS*.G310 helixtrans-87.3-16.2-167.1-71.6-173178.8179.90115.3G67G67-K69 PolarHBondContact O-N 3.05Å; G67-K69 VanDerWaalsContact O-N 3.08Å
70T71Confident79.9Confident31 Ų3196 Ų9619%0.1951%0.505CS..  trans-132.5120.4-174.9-11.70000109.8S66 E74 I75S66-T70 WeakPolarHBondContact CB-OG1 3.18Å; S66-T70 WeakPolarHBondContact OG-CB 3.49Å; S66-T70 PolarHBondContact OG-OG1 3.36Å; T70-E74 HydrophobicContact CG2-CB 4.12Å; T70-I75 HydrophobicContact CG2-CG1 4.08Å
71T78.8Confident79.8Confident82 Ų8292.5 Ų92.550%0.50350%0.495SS..  trans-76.9153.4176.553.20000110.6Q73 E74 I75T71-Q73 PolarHBondContact O-N 3.3Å; T71-E74 PolarHBondContact N-OE2 2.68Å; T71-E74 PolarHBondContact O-N 3.28Å; T71-E74 WeakPolarHBondContact OG1-CG 3.42Å; T71-E74 PolarHBondContact OG1-OE2 3.08Å; T71-E74 VanDerWaalsContact OG1-OE2 3.05Å; T71-I75 PolarHBondContact O-N 3.12Å
72E80Confident79.6Confident79 Ų7990.8 Ų90.837%0.36949%0.49SS..Hα-helixtrans-49.5-46.2175.4-174.6-177.7161.300111.5L59 I63 E74 I75 L76L59-E72 HydrophobicContact CD1-CG 4.28Å; L59-E72 HydrophobicContact CD2-CG 3.47Å; L59-E72 VanDerWaalsContact CD2-CG 3.47Å; L59-E72 WeakPolarHBondContact CD2-OE1 3.48Å; L59-E72 HydrophobicContact CG-CG 4Å; I63-E72 HydrophobicContact CD1-CB 3.71Å; I63-E72 HydrophobicContact CD1-CG 3.97Å; E72-E74 VanDerWaalsContact C-N 3.33Å; E72-E74 PolarHBondContact O-N 2.96Å; E72-I75 PolarHBondContact O-N 2.88Å; E72-L76 HydrophobicContact CG-CD1 3.91Å; E72-L76 HydrophobicContact CG-CG 4.42Å; E72-L76 VanDerWaalsContact O-CG 3.29Å; E72-L76 WeakPolarHBondContact O-CG 3.23Å; E72-L76 PolarHBondContact O-N 3.19Å
73Q80Confident79.2Confident137 Ų13788.2 Ų88.264%0.6448%0.479SS*.Hα-helixtrans-60.1-38.4179.3-110.2178.4-13.100113.4T71 S77 P83T71-Q73 PolarHBondContact O-N 3.3Å; Q73-S77 VanDerWaalsContact O-CB 3.23Å; Q73-S77 WeakPolarHBondContact O-CB 3.5Å; Q73-S77 PolarHBondContact O-N 3.34Å; Q73-S77 PolarHBondContact O-OG 2.86Å; Q73-P83 HydrophobicContact CG-CG 4.45Å
74E82.2Confident78.9Confident93 Ų9389.4 Ų89.444%0.43550%0.496SS..Hα-helixtrans-68.3-39.9177.1-79.1173.6132.200111.8T70 T71 E72 K78T70-E74 HydrophobicContact CG2-CB 4.12Å; T71-E74 PolarHBondContact N-OE2 2.68Å; T71-E74 PolarHBondContact O-N 3.28Å; T71-E74 WeakPolarHBondContact OG1-CG 3.42Å; T71-E74 PolarHBondContact OG1-OE2 3.08Å; T71-E74 VanDerWaalsContact OG1-OE2 3.05Å; E72-E74 VanDerWaalsContact C-N 3.33Å; E72-E74 PolarHBondContact O-N 2.96Å; E74-K78 WeakPolarHBondContact O-CB 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.47Å; E74-K78 PolarHBondContact O-N 3.32Å
75I82.5Confident78.6Confident19 Ų1989.8 Ų89.810%0.09750%0.495CS..Hα-helixtrans-63.2-50.6176.6-64.2168.1000108.8L59 L62 I63 T70 T71 E72 S77 K78 V79L59-I75 HydrophobicContact CD1-CB 3.96Å; L59-I75 HydrophobicContact CD1-CG2 3.58Å; L62-I75 HydrophobicContact CB-CD1 4.32Å; L62-I75 HydrophobicContact CD1-CG2 4.39Å; I63-I75 HydrophobicContact CB-CD1 4.48Å; I63-I75 HydrophobicContact CG1-CD1 3.53Å; T70-I75 HydrophobicContact CG2-CG1 4.08Å; T71-I75 PolarHBondContact O-N 3.12Å; E72-I75 PolarHBondContact O-N 2.88Å; I75-S77 VanDerWaalsContact C-N 3.34Å; I75-S77 PolarHBondContact O-N 2.76Å; I75-K78 WeakPolarHBondContact O-CB 3.5Å; I75-K78 PolarHBondContact O-N 3.09Å; I75-K78 VanDerWaalsContact O-N 3.08Å; I75-V79 HydrophobicContact CG2-CG2 4.26Å; I75-V79 WeakPolarHBondContact O-CG2 3.32Å; I75-V79 PolarHBondContact O-N 3.34Å
76L85.6Confident78.1Confident5 Ų581.3 Ų81.33%0.02646%0.459CS..Hα-helixtrans-60.2-42.7179.1-66.3173.3000113L59 E72 K78 V79 G80 I81 P83 I86L59-L76 HydrophobicContact CD1-CD2 3.94Å; L59-L76 HydrophobicContact CD1-CG 4.13Å; L59-L76 HydrophobicContact CD2-CD1 4.15Å; L59-L76 HydrophobicContact CD2-CD2 3.82Å; L59-L76 HydrophobicContact CD2-CG 4.09Å; E72-L76 HydrophobicContact CG-CD1 3.91Å; E72-L76 HydrophobicContact CG-CG 4.42Å; E72-L76 VanDerWaalsContact O-CG 3.29Å; E72-L76 WeakPolarHBondContact O-CG 3.23Å; E72-L76 PolarHBondContact O-N 3.19Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.13Å; L76-V79 CarbonylContact O-C 3.58Å; L76-V79 PolarHBondContact O-N 2.84Å; L76-G80 PolarHBondContact O-N 3.43Å; L76-I81 HydrophobicContact CD2-CB 4.16Å; L76-I81 HydrophobicContact CD2-CG2 4.18Å; L76-I81 PolarHBondContact O-N 2.9Å; L76-P83 HydrophobicContact CD1-CB 4.12Å; L76-P83 HydrophobicContact CD1-CG 4.05Å; L76-I86 HydrophobicContact CD1-CD1 3.69Å; L76-I86 HydrophobicContact CD2-CD1 3.23Å; L76-I86 HydrophobicContact CD2-CG1 4.34Å; L76-I86 HydrophobicContact CG-CD1 4.06Å
77S85.7Confident77.8Confident89 Ų8983.3 Ų83.362%0.62247%0.469SS*.Hα-helixtrans-61.7-38.2175.5-600000111.7Q73 I75 G80Q73-S77 VanDerWaalsContact O-CB 3.23Å; Q73-S77 WeakPolarHBondContact O-CB 3.5Å; Q73-S77 PolarHBondContact O-N 3.34Å; Q73-S77 PolarHBondContact O-OG 2.86Å; I75-S77 VanDerWaalsContact C-N 3.34Å; I75-S77 PolarHBondContact O-N 2.76Å; S77-G80 PolarHBondContact O-N 2.89Å
78K84.8Confident77.2Confident168 Ų16884.2 Ų84.273%0.7346%0.464SS*.Hα-helixtrans-67.2-37.5175.7-79.6177.4-179.4177.10113E74 I75 L76 G80E74-K78 WeakPolarHBondContact O-CB 3.3Å; E74-K78 WeakPolarHBondContact O-CG 3.47Å; E74-K78 PolarHBondContact O-N 3.32Å; I75-K78 WeakPolarHBondContact O-CB 3.5Å; I75-K78 PolarHBondContact O-N 3.09Å; I75-K78 VanDerWaalsContact O-N 3.08Å; L76-K78 VanDerWaalsContact C-N 3.29Å; L76-K78 PolarHBondContact O-N 3.13Å; K78-G80 VanDerWaalsContact C-N 3.27Å
79V82.8Confident76.6Confident97 Ų9783.2 Ų83.259%0.58846%0.456SS*.Hα-helixtrans-83.9-4.4177.3-1380000112.6I75 L76 I81I75-V79 HydrophobicContact CG2-CG2 4.26Å; I75-V79 WeakPolarHBondContact O-CG2 3.32Å; I75-V79 PolarHBondContact O-N 3.34Å; L76-V79 CarbonylContact O-C 3.58Å; L76-V79 PolarHBondContact O-N 2.84Å; V79-I81 VanDerWaalsContact C-N 3.34Å; V79-I81 HydrophobicContact CB-CD1 4.36Å; V79-I81 HydrophobicContact CB-CG1 4.33Å
80G83.6Confident75.3Confident69 Ų6979.8 Ų79.871%0.71146%0.456SS*.THydrogen-bonded Turntrans70.827.3-179.300000113.8L76 S77 K78L76-G80 PolarHBondContact O-N 3.43Å; S77-G80 PolarHBondContact O-N 2.89Å; K78-G80 VanDerWaalsContact C-N 3.27Å
81I81.9Confident73.7Confident66 Ų6686.5 Ų86.534%0.33849%0.485SS..  trans-99.8126.9178.8-63178.5000109L76 V79 I86L76-I81 HydrophobicContact CD2-CB 4.16Å; L76-I81 HydrophobicContact CD2-CG2 4.18Å; L76-I81 PolarHBondContact O-N 2.9Å; V79-I81 VanDerWaalsContact C-N 3.34Å; V79-I81 HydrophobicContact CB-CD1 4.36Å; V79-I81 HydrophobicContact CB-CG1 4.33Å; I81-I86 HydrophobicContact CG2-CG1 4.35Å; I81-I86 HydrophobicContact CG2-CG2 4.25Å
82D81.6Confident71.4Confident101 Ų10185.7 Ų85.754%0.5449%0.494SS..  trans-68.9126.3170.4-178.2-21.4000109.2A84 T85D82-A84 PolarHBondContact O-N 3.45Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-A84 WeakPolarHBondContact OD1-CB 3.2Å; D82-A84 PolarHBondContact OD1-N 3.46Å; D82-T85 WeakPolarHBondContact CB-OG1 3.48Å; D82-T85 VanDerWaalsContact O-CB 3.24Å; D82-T85 WeakPolarHBondContact O-CB 3.13Å; D82-T85 PolarHBondContact O-N 2.89Å; D82-T85 PolarHBondContact O-OG1 2.99Å
83P74.7Confident69.1Low43 Ų4393.9 Ų93.928%0.27954%0.539SS..Hα-helixtrans-48.9-35.9176.5-26.232.1000113.9Q73 L76 T85 I86 T87Q73-P83 HydrophobicContact CG-CG 4.45Å; L76-P83 HydrophobicContact CD1-CB 4.12Å; L76-P83 HydrophobicContact CD1-CG 4.05Å; P83-T85 PolarHBondContact O-N 2.9Å; P83-T85 VanDerWaalsContact O-N 3.12Å; P83-I86 WeakPolarHBondContact O-CG1 3.31Å; P83-I86 PolarHBondContact O-N 2.84Å; P83-T87 PolarHBondContact O-N 2.8Å; P83-T87 PolarHBondContact O-OG1 3.42Å
84A76.5Confident68.6Low68 Ų6891.8 Ų91.856%0.56253%0.534SS*.Hα-helixtrans-61.9-22.9179.200000113.2D82D82-A84 PolarHBondContact O-N 3.45Å; D82-A84 VanDerWaalsContact O-N 3.1Å; D82-A84 WeakPolarHBondContact OD1-CB 3.2Å; D82-A84 PolarHBondContact OD1-N 3.46Å
85T75.1Confident67.9Low78 Ų7891.7 Ų91.748%0.47954%0.539SS..Hα-helixtrans-73.8-35.2-176.5-32.80000112.4K52 D82 P83K52-T85 WeakPolarHBondContact CE-O 3.37Å; D82-T85 WeakPolarHBondContact CB-OG1 3.48Å; D82-T85 VanDerWaalsContact O-CB 3.24Å; D82-T85 WeakPolarHBondContact O-CB 3.13Å; D82-T85 PolarHBondContact O-N 2.89Å; D82-T85 PolarHBondContact O-OG1 2.99Å; P83-T85 PolarHBondContact O-N 2.9Å; P83-T85 VanDerWaalsContact O-N 3.12Å
86I72.4Confident67Low12 Ų1295.7 Ų95.76%0.06256%0.563CS.*Hα-helixtrans-105.7-9.9-17748.3160.7000113.1A55 L59 L76 I81 P83 L88A55-I86 HydrophobicContact CB-CG2 3.9Å; L59-I86 HydrophobicContact CD2-CD1 3.58Å; L76-I86 HydrophobicContact CD1-CD1 3.69Å; L76-I86 HydrophobicContact CD2-CD1 3.23Å; L76-I86 HydrophobicContact CD2-CG1 4.34Å; L76-I86 HydrophobicContact CG-CD1 4.06Å; I81-I86 HydrophobicContact CG2-CG1 4.35Å; I81-I86 HydrophobicContact CG2-CG2 4.25Å; P83-I86 WeakPolarHBondContact O-CG1 3.31Å; P83-I86 PolarHBondContact O-N 2.84Å; I86-L88 PolarHBondContact O-N 3.06Å
87T65.5Low66Low79 Ų79101.1 Ų101.149%0.48560%0.595SS.*  trans-60.3105.7172.9-52.40000108.1P83 K89P83-T87 PolarHBondContact O-N 2.8Å; P83-T87 PolarHBondContact O-OG1 3.42Å; T87-K89 PolarHBondContact O-N 2.97Å; T87-K89 VanDerWaalsContact O-N 3.12Å
88L59Low64.7Low61 Ų61101.8 Ų101.832%0.31959%0.593SS.*  trans-67109.6163.9-74156.5000104.6K52 Q53 I86 S90K52-L88 HydrophobicContact CB-CD2 4.05Å; K52-L88 HydrophobicContact CB-CG 4.35Å; Q53-L88 HydrophobicContact CB-CD1 4.46Å; Q53-L88 HydrophobicContact CG-CD1 3.6Å; Q53-L88 HydrophobicContact CG-CD2 4.22Å; I86-L88 PolarHBondContact O-N 3.06Å; L88-S90 PolarHBondContact O-N 2.93Å
89K53.6Low63.4Low183 Ų18397.4 Ų97.480%0.79658%0.584SS**  trans-50.2119.9161.4-83.1-175.6176.3179.10104.7T87 E91T87-K89 PolarHBondContact O-N 2.97Å; T87-K89 VanDerWaalsContact O-N 3.12Å; K89-E91 PolarHBondContact O-N 3.19Å
90S44.8Very low62Low115 Ų11597.4 Ų97.480%0.80458%0.584SS**  trans-63.279.5165.457.60000106.1L88 G92L88-S90 PolarHBondContact O-N 2.93Å; S90-G92 PolarHBondContact O-N 3.42Å; S90-G92 VanDerWaalsContact O-N 3.11Å
91E37.4Very low60.3Low172 Ų17299.6 Ų99.680%0.80457%0.574SS**  trans-61.6113.3154.8-74.8-170.2163.900104.3K89K89-E91 PolarHBondContact O-N 3.19Å
92G30.7Very low58.5Low66 Ų66102.4 Ų102.468%0.6859%0.594SS**  trans-48.4146.3-164.400000113.3S90S90-G92 PolarHBondContact O-N 3.42Å; S90-G92 VanDerWaalsContact O-N 3.11Å
93L31.3Very low56.4Low251 Ų251102.5 Ų102.5100%1.31460%0.598SS**  trans-47.60144.8-78.8159.4000110.6

Retrieved 93 of 93 residues in 53.5 ms (Link to these results)