A0A087YDR5_POEFO Loading...

Mitochondrial pyruvate carrier

Mediates the uptake of pyruvate into mitochondria.

AlphaFold DB , UniProt , Accession A0A087YDR5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 88 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.8Very low51.7Low206 Ų206108.9 Ų108.9100%1.01556%0.562SS**  0118.20-158.8144.7140.600107
2S42.8Very low52.6Low63 Ų63106.3 Ų106.344%0.44157%0.568SS.*  trans-70.1138.5-159.6172.20000114S4 Q5S2-S4 PolarHBondContact O-N 3.05Å; S2-S4 PolarHBondContact OG-N 3.38Å; S2-S4 PolarHBondContact OG-OG 3.48Å; S2-Q5 PolarHBondContact O-N 3.28Å; S2-Q5 VanDerWaalsContact O-N 3.13Å
3L49.8Very low53.6Low156 Ų156102.7 Ų102.782%0.81755%0.549SS*.Hα-helixtrans-50.9-23.9171.6-146.587.6000113H6 F7L3-H6 PolarHBondContact O-N 3Å; L3-F7 PolarHBondContact O-N 3.34Å
4S44.1Very low54.3Low61 Ų61103.4 Ų103.443%0.42754%0.54SS..Hα-helixtrans-69.8-31.6179.762.70000114.3S2 W8S2-S4 PolarHBondContact O-N 3.05Å; S2-S4 PolarHBondContact OG-N 3.38Å; S2-S4 PolarHBondContact OG-OG 3.48Å; S4-W8 WeakPolarHBondContact O-CB 3.47Å; S4-W8 PolarHBondContact O-N 3.14Å
5Q48.7Very low55.2Low132 Ų13299.3 Ų99.362%0.61753%0.532SS*.Hα-helixtrans-74.3-27.8177.1-72-175.7-63.700112.4S2S2-Q5 PolarHBondContact O-N 3.28Å; S2-Q5 VanDerWaalsContact O-N 3.13Å
6H53.8Low56Low129 Ų12997.6 Ų97.660%0.59752%0.523SS*.Hα-helixtrans-82.8-24.2-177.8-72-98.2000113.5L3 P10L3-H6 PolarHBondContact O-N 3Å; H6-P10 WeakPolarHBondContact O-CD 3.33Å; H6-P10 WeakPolarHBondContact O-CG 3.34Å
7F53Low56.6Low142 Ų14291.9 Ų91.962%0.62349%0.492SS*.Hα-helixtrans-100.6-45-177.4-160.5-100.1000113.1L3 P10 V11L3-F7 PolarHBondContact O-N 3.34Å; F7-P10 WeakPolarHBondContact O-CD 3.4Å; F7-V11 HydrophobicContact CD1-CG2 4.33Å; F7-V11 HydrophobicContact CE1-CG2 4.22Å; F7-V11 VanDerWaalsContact O-CG2 3.23Å; F7-V11 WeakPolarHBondContact O-CG2 3.5Å; F7-V11 PolarHBondContact O-N 3.44Å
8W52.7Low57.4Low173 Ų17392.3 Ų92.366%0.65549%0.493SS*.Hα-helixtrans-78.2-29.4-174.8-69.599000113.6S4 V11 A12S4-W8 WeakPolarHBondContact O-CB 3.47Å; S4-W8 PolarHBondContact O-N 3.14Å; W8-V11 PolarHBondContact O-N 3.32Å; W8-A12 WeakPolarHBondContact O-CB 3.3Å; W8-A12 PolarHBondContact O-N 3.21Å
9G61.2Low58.1Low35 Ų3590.1 Ų90.136%0.36149%0.489SS..Hα-helixtrans-60.5-47.8176.300000113.2N13G9-N13 PolarHBondContact O-N 3.49Å; G9-N13 PolarHBondContact O-ND2 3.02Å
10P57.7Low58.6Low30 Ų3085.9 Ų85.920%0.19547%0.467CS..Hα-helixtrans-67.1-39.7172.6-25.235.3000114.1H6 F7 A12 N13 W14 L59H6-P10 WeakPolarHBondContact O-CD 3.33Å; H6-P10 WeakPolarHBondContact O-CG 3.34Å; F7-P10 WeakPolarHBondContact O-CD 3.4Å; P10-A12 VanDerWaalsContact C-N 3.33Å; P10-A12 PolarHBondContact O-N 2.95Å; P10-N13 WeakPolarHBondContact O-CB 3.41Å; P10-N13 PolarHBondContact O-N 3.45Å; P10-N13 VanDerWaalsContact O-N 3.1Å; P10-W14 PolarHBondContact O-N 2.97Å; P10-L59 HydrophobicContact CB-CB 4.25Å; P10-L59 HydrophobicContact CB-CD1 3.63Å; P10-L59 HydrophobicContact CB-CD2 4.4Å; P10-L59 HydrophobicContact CB-CG 4.29Å; P10-L59 HydrophobicContact CG-CD1 3.62Å
11V62.3Low59.1Low71 Ų7185.5 Ų85.543%0.4346%0.464SS..Hα-helixtrans-64.2-37.3178.3171.10000111.6F7 W8 N13 W14F7-V11 HydrophobicContact CD1-CG2 4.33Å; F7-V11 HydrophobicContact CE1-CG2 4.22Å; F7-V11 VanDerWaalsContact O-CG2 3.23Å; F7-V11 WeakPolarHBondContact O-CG2 3.5Å; F7-V11 PolarHBondContact O-N 3.44Å; W8-V11 PolarHBondContact O-N 3.32Å; V11-N13 VanDerWaalsContact C-N 3.25Å; V11-N13 PolarHBondContact O-N 2.92Å; V11-W14 WeakPolarHBondContact O-CB 3.48Å; V11-W14 PolarHBondContact O-N 3.47Å; V11-W14 VanDerWaalsContact O-N 3.13Å
12A62.2Low60.3Low77 Ų7779.5 Ų79.564%0.63644%0.439SS*.Hα-helixtrans-62.3-31.6173.200000112.7W8 P10 W14 G15W8-A12 WeakPolarHBondContact O-CB 3.3Å; W8-A12 PolarHBondContact O-N 3.21Å; P10-A12 VanDerWaalsContact C-N 3.33Å; P10-A12 PolarHBondContact O-N 2.95Å; A12-W14 VanDerWaalsContact C-N 3.29Å; A12-W14 PolarHBondContact O-N 3.14Å; A12-G15 PolarHBondContact O-N 3.41Å
13N65.3Low61.5Low60 Ų6079.4 Ų79.432%0.32143%0.433SS..Hα-helixtrans-70.3-23.8176.1-80.2-70.7000112.9G9 P10 V11 G15 L16 P17 C63G9-N13 PolarHBondContact O-N 3.49Å; G9-N13 PolarHBondContact O-ND2 3.02Å; P10-N13 WeakPolarHBondContact O-CB 3.41Å; P10-N13 PolarHBondContact O-N 3.45Å; P10-N13 VanDerWaalsContact O-N 3.1Å; V11-N13 VanDerWaalsContact C-N 3.25Å; V11-N13 PolarHBondContact O-N 2.92Å; N13-G15 PolarHBondContact O-N 2.76Å; N13-L16 PolarHBondContact O-N 3.35Å; N13-P17 WeakPolarHBondContact O-CD 3.41Å; N13-C63 PolarHBondContact O-SG 3.4Å
14W64.5Low62.2Low113 Ų11374.6 Ų74.643%0.42841%0.407SS..THydrogen-bonded Turntrans-69.6-9.2175.3-83.879.6000114P10 V11 A12 L16 P17 I18P10-W14 PolarHBondContact O-N 2.97Å; V11-W14 WeakPolarHBondContact O-CB 3.48Å; V11-W14 PolarHBondContact O-N 3.47Å; V11-W14 VanDerWaalsContact O-N 3.13Å; A12-W14 VanDerWaalsContact C-N 3.29Å; A12-W14 PolarHBondContact O-N 3.14Å; W14-L16 PolarHBondContact O-N 2.96Å; W14-P17 HydrophobicContact CE3-CB 4.2Å; W14-P17 HydrophobicContact CE3-CG 4.43Å; W14-P17 WeakPolarHBondContact O-CD 3.43Å; W14-I18 WeakPolarHBondContact O-CB 3.46Å; W14-I18 VanDerWaalsContact O-CG1 3.25Å; W14-I18 WeakPolarHBondContact O-CG1 3.37Å; W14-I18 PolarHBondContact O-N 3.48Å
15G67.6Low63.1Low41 Ų4180.6 Ų80.642%0.42343%0.426SS..Hα-helixtrans-57.9-35.9171.500000113A12 N13 A19A12-G15 PolarHBondContact O-N 3.41Å; N13-G15 PolarHBondContact O-N 2.76Å; G15-A19 VanDerWaalsContact O-CB 3.24Å; G15-A19 WeakPolarHBondContact O-CB 3.41Å; G15-A19 PolarHBondContact O-N 3.43Å
16L68.5Low63.8Low72 Ų7279.6 Ų79.638%0.37742%0.42SS..Hα-helixtrans-68.3-50.7178.2-72.3171.3000112.5N13 W14 I18 A19 A20N13-L16 PolarHBondContact O-N 3.35Å; W14-L16 PolarHBondContact O-N 2.96Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.17Å; L16-A19 PolarHBondContact O-N 2.92Å; L16-A20 WeakPolarHBondContact O-CB 3.33Å; L16-A20 PolarHBondContact O-N 3.27Å
17P65.1Low63.9Low1 Ų176.1 Ų76.11%0.00641%0.41CS..Hα-helixtrans-56.5-42.8171.8-28.330.4000113.5N13 W14 A20 I21 C63 T66N13-P17 WeakPolarHBondContact O-CD 3.41Å; W14-P17 HydrophobicContact CE3-CB 4.2Å; W14-P17 HydrophobicContact CE3-CG 4.43Å; W14-P17 WeakPolarHBondContact O-CD 3.43Å; P17-A20 PolarHBondContact O-N 3.42Å; P17-I21 WeakPolarHBondContact O-CB 3.48Å; P17-I21 WeakPolarHBondContact O-CD1 3.46Å; P17-I21 WeakPolarHBondContact O-CG1 3.22Å; P17-I21 PolarHBondContact O-N 2.91Å; P17-C63 WeakPolarHBondContact CD-SG 3.33Å; P17-C63 HydrophobicContact CG-CB 4.16Å; P17-C63 WeakPolarHBondContact CG-SG 3.34Å; P17-T66 HydrophobicContact CB-CG2 4.09Å
18I71Confident64.1Low99 Ų9970.7 Ų70.751%0.50839%0.389SS..Hα-helixtrans-66.3-42.4179.5-67.7169.5000110.5W14 L16 I21 T22W14-I18 WeakPolarHBondContact O-CB 3.46Å; W14-I18 VanDerWaalsContact O-CG1 3.25Å; W14-I18 WeakPolarHBondContact O-CG1 3.37Å; W14-I18 PolarHBondContact O-N 3.48Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.17Å; I18-I21 PolarHBondContact O-N 2.91Å; I18-T22 WeakPolarHBondContact O-CB 3.44Å; I18-T22 PolarHBondContact O-N 3.48Å; I18-T22 PolarHBondContact O-OG1 2.78Å
19A71.3Confident64.3Low50 Ų5068.9 Ų68.941%0.41339%0.388SS..Hα-helixtrans-61.7-43.5173.800000111.4G15 L16 T22 D23G15-A19 VanDerWaalsContact O-CB 3.24Å; G15-A19 WeakPolarHBondContact O-CB 3.41Å; G15-A19 PolarHBondContact O-N 3.43Å; L16-A19 PolarHBondContact O-N 2.92Å; A19-T22 PolarHBondContact O-N 3.16Å; A19-D23 WeakPolarHBondContact O-CB 3.23Å; A19-D23 PolarHBondContact O-N 3.08Å
20A68.1Low64.1Low7 Ų773.3 Ų73.36%0.05840%0.402CS..Hα-helixtrans-62.2-44.5177.200000112.2L16 P17 T22 D23 M24 N67 A70L16-A20 WeakPolarHBondContact O-CB 3.33Å; L16-A20 PolarHBondContact O-N 3.27Å; P17-A20 PolarHBondContact O-N 3.42Å; A20-T22 VanDerWaalsContact C-N 3.32Å; A20-T22 PolarHBondContact O-N 3.02Å; A20-D23 PolarHBondContact O-N 3.39Å; A20-M24 WeakPolarHBondContact O-CG 3.27Å; A20-M24 PolarHBondContact O-N 3.27Å; A20-M24 VanDerWaalsContact O-N 3.11Å; A20-N67 WeakPolarHBondContact CB-OD1 3.34Å; A20-A70 HydrophobicContact CB-CB 4.07Å
21I69.6Low64.4Low78 Ų7873 Ų7340%0.440%0.398SS..Hα-helixtrans-63.5-39.6175.4-68.2161.9000111.1P17 I18 M24P17-I21 WeakPolarHBondContact O-CB 3.48Å; P17-I21 WeakPolarHBondContact O-CD1 3.46Å; P17-I21 WeakPolarHBondContact O-CG1 3.22Å; P17-I21 PolarHBondContact O-N 2.91Å; I18-I21 PolarHBondContact O-N 2.91Å; I21-M24 HydrophobicContact CB-CE 4.02Å; I21-M24 HydrophobicContact CG1-CE 3.83Å; I21-M24 HydrophobicContact CG2-CE 4.01Å; I21-M24 WeakPolarHBondContact O-CB 3.17Å; I21-M24 PolarHBondContact O-N 2.67Å
22T68.3Low64.6Low80 Ų8072.6 Ų72.649%0.49140%0.399SS..Hα-helixtrans-67.4-38.9177.5-56.10000111.2I18 A19 A20 M24 K25I18-T22 WeakPolarHBondContact O-CB 3.44Å; I18-T22 PolarHBondContact O-N 3.48Å; I18-T22 PolarHBondContact O-OG1 2.78Å; A19-T22 PolarHBondContact O-N 3.16Å; A20-T22 VanDerWaalsContact C-N 3.32Å; A20-T22 PolarHBondContact O-N 3.02Å; T22-M24 PolarHBondContact O-N 3.4Å; T22-K25 PolarHBondContact O-N 2.98Å
23D67.8Low64.8Low60 Ų6070.5 Ų70.532%0.32139%0.385SS..Hα-helixtrans-65.7-24.6174.3-90.1-2.7000112.2A19 A20 K25 K26 Q74A19-D23 WeakPolarHBondContact O-CB 3.23Å; A19-D23 PolarHBondContact O-N 3.08Å; A20-D23 PolarHBondContact O-N 3.39Å; D23-K25 PolarHBondContact O-N 3.47Å; D23-K25 VanDerWaalsContact O-N 3.13Å; D23-K26 PolarHBondContact O-N 3.39Å; D23-K26 WeakPolarHBondContact OD1-CD 3.13Å; D23-K26 WeakPolarHBondContact OD1-CE 3.38Å; D23-K26 IonicContact OD1-NZ 2.75Å; D23-K26 PolarHBondContact OD1-NZ 3.19Å; D23-Q74 PolarHBondContact O-NE2 3.08Å
24M62.9Low65.2Low55 Ų5578 Ų7827%0.27141%0.408SS..THydrogen-bonded Turntrans-62.7-19175.4-64.6-161.7-76.200113.5A20 I21 T22 A70 Q74 R77A20-M24 WeakPolarHBondContact O-CG 3.27Å; A20-M24 PolarHBondContact O-N 3.27Å; A20-M24 VanDerWaalsContact O-N 3.11Å; I21-M24 HydrophobicContact CB-CE 4.02Å; I21-M24 HydrophobicContact CG1-CE 3.83Å; I21-M24 HydrophobicContact CG2-CE 4.01Å; I21-M24 WeakPolarHBondContact O-CB 3.17Å; I21-M24 PolarHBondContact O-N 2.67Å; T22-M24 PolarHBondContact O-N 3.4Å; M24-A70 HydrophobicContact CE-CB 4.35Å; M24-A70 HydrophobicContact CG-CB 4.29Å; M24-A70 HydrophobicContact SD-CB 3.91Å; M24-Q74 VanDerWaalsContact CA-NE2 3.3Å; M24-Q74 HydrophobicContact CG-CG 3.95Å; M24-R77 PolarHBondContact O-NH1 3.44Å
25K62.8Low65.7Low188 Ų18878.1 Ų78.182%0.81742%0.415SS*.THydrogen-bonded Turntrans-86.5-12.1176.7-64.5-173.1174.4-175.60113.5T22 D23T22-K25 PolarHBondContact O-N 2.98Å; D23-K25 PolarHBondContact O-N 3.47Å; D23-K25 VanDerWaalsContact O-N 3.13Å
26K64.2Low66.1Low111 Ų11176.8 Ų76.848%0.48340%0.399SS..SBendtrans-74.8149178.2-70.2-176.4179.7155.90111D23D23-K26 PolarHBondContact O-N 3.39Å; D23-K26 WeakPolarHBondContact OD1-CD 3.13Å; D23-K26 WeakPolarHBondContact OD1-CE 3.38Å; D23-K26 IonicContact OD1-NZ 2.75Å; D23-K26 PolarHBondContact OD1-NZ 3.19Å
27S56.3Low66.6Low56 Ų5680.4 Ų80.439%0.39241%0.412SS..  trans-58.5135.4179.4179.10000110.3E29 I30S27-E29 PolarHBondContact O-N 2.76Å; S27-E29 VanDerWaalsContact O-N 3.09Å; S27-I30 WeakPolarHBondContact O-CG1 3.37Å; S27-I30 PolarHBondContact O-N 3.46Å
28P57.7Low67.4Low28 Ų2883 Ų8318%0.18243%0.433CS..G310 helixtrans-59.6-19.7-179.322.9-32.7000113.8I30 I31 L78P28-I30 PolarHBondContact O-N 2.87Å; P28-I31 PolarHBondContact O-N 3.32Å; P28-L78 WeakPolarHBondContact O-CD1 3.25Å
29E55Low67.8Low135 Ų13581.1 Ų81.163%0.63142%0.424SS*.G310 helixtrans-65.4-25.7174.5-70.1-175.216600113.8S27 Y81S27-E29 PolarHBondContact O-N 2.76Å; S27-E29 VanDerWaalsContact O-N 3.09Å; E29-Y81 HydrophobicContact CG-CE1 4.07Å; E29-Y81 HydrophobicContact CG-CE2 4.21Å; E29-Y81 WeakPolarHBondContact CG-OH 3.41Å; E29-Y81 PolarHBondContact OE1-OH 3.32Å
30I59.1Low68.4Low127 Ų12779.5 Ų79.565%0.65141%0.409SS*.G310 helixtrans-93-9.6-178.8-24.5169.8000110.9S27 P28 S32S27-I30 WeakPolarHBondContact O-CG1 3.37Å; S27-I30 PolarHBondContact O-N 3.46Å; P28-I30 PolarHBondContact O-N 2.87Å; I30-S32 PolarHBondContact O-N 3.24Å
31I62.2Low69.1Low24 Ų2482 Ų8212%0.12343%0.425CS..  trans-80.6106.9-176.8-58.7-176.9000108.7P28 G33 Q74 L78P28-I31 PolarHBondContact O-N 3.32Å; I31-G33 PolarHBondContact O-N 3.46Å; I31-Q74 HydrophobicContact CD1-CB 4.26Å; I31-Q74 HydrophobicContact CD1-CG 4.23Å; I31-L78 HydrophobicContact CG2-CD2 4.38Å; I31-L78 WeakPolarHBondContact O-CD1 3.47Å; I31-L78 WeakPolarHBondContact O-CD2 3.46Å
32S67.1Low69.8Low63 Ų6383 Ų8344%0.44143%0.425SS..  trans-73.6109.31741770000110.5I30 R34 M35 T36I30-S32 PolarHBondContact O-N 3.24Å; S32-R34 PolarHBondContact O-N 3.01Å; S32-R34 VanDerWaalsContact O-N 3.16Å; S32-M35 WeakPolarHBondContact O-CA 3.4Å; S32-M35 WeakPolarHBondContact O-CB 3.41Å; S32-M35 PolarHBondContact O-N 3.44Å; S32-T36 PolarHBondContact O-N 3.09Å; S32-T36 PolarHBondContact O-OG1 3.44Å
33G67.6Low70.5Confident33 Ų3379.1 Ų79.134%0.3440%0.401SS..Hα-helixtrans-57.6-30.7178.400000113.9I31 M35 F37I31-G33 PolarHBondContact O-N 3.46Å; G33-M35 VanDerWaalsContact C-N 3.34Å; G33-F37 WeakPolarHBondContact O-CB 3.39Å; G33-F37 PolarHBondContact O-N 3.01Å
34R73.2Confident71.4Confident217 Ų21780.6 Ų80.682%0.81941%0.409SS*.Hα-helixtrans-65.3-37.8173.6-68177.369.9178.91.7111.8S32 A38S32-R34 PolarHBondContact O-N 3.01Å; S32-R34 VanDerWaalsContact O-N 3.16Å; R34-A38 WeakPolarHBondContact O-CB 3.36Å; R34-A38 PolarHBondContact O-N 3.05Å
35M74.8Confident72.5Confident115 Ų11583.6 Ų83.657%0.56743%0.425SS*.Hα-helixtrans-72.4-42.9178.3-171174.317600111.3S32 G33 F37 A38 L39S32-M35 WeakPolarHBondContact O-CA 3.4Å; S32-M35 WeakPolarHBondContact O-CB 3.41Å; S32-M35 PolarHBondContact O-N 3.44Å; G33-M35 VanDerWaalsContact C-N 3.34Å; M35-F37 VanDerWaalsContact C-N 3.32Å; M35-F37 PolarHBondContact O-N 2.95Å; M35-A38 PolarHBondContact O-N 3.3Å; M35-L39 HydrophobicContact CE-CD1 4.26Å; M35-L39 HydrophobicContact CG-CD1 4.04Å; M35-L39 WeakPolarHBondContact O-CB 3.36Å; M35-L39 WeakPolarHBondContact O-CG 3.47Å; M35-L39 PolarHBondContact O-N 3.2Å
36T76.4Confident73.5Confident14 Ų1477.6 Ų77.69%0.08640%0.399CS..Hα-helixtrans-58.5-43.8174.1-52.70000111.5S32 L39 C40 Q71S32-T36 PolarHBondContact O-N 3.09Å; S32-T36 PolarHBondContact O-OG1 3.44Å; T36-L39 PolarHBondContact O-N 3.04Å; T36-C40 PolarHBondContact O-N 3.01Å; T36-C40 PolarHBondContact O-SG 3.24Å; T36-Q71 HydrophobicContact CG2-CB 3.92Å; T36-Q71 HydrophobicContact CG2-CG 4.46Å; T36-Q71 WeakPolarHBondContact CG2-O 3.46Å; T36-Q71 PolarHBondContact O-OE1 2.9Å
37F77.9Confident74.4Confident148 Ų14873.4 Ų73.465%0.64938%0.382SS*.Hα-helixtrans-65.3-45.5176.4-177.3-102.3000112.3G33 M35 L39 C40 C41G33-F37 WeakPolarHBondContact O-CB 3.39Å; G33-F37 PolarHBondContact O-N 3.01Å; M35-F37 VanDerWaalsContact C-N 3.32Å; M35-F37 PolarHBondContact O-N 2.95Å; F37-L39 VanDerWaalsContact C-N 3.29Å; F37-L39 PolarHBondContact O-N 3.46Å; F37-C40 PolarHBondContact O-N 3.25Å; F37-C41 PolarHBondContact O-N 3.24Å; F37-C41 PolarHBondContact O-SG 3.36Å
38A81.7Confident75.9Confident55 Ų5579 Ų7946%0.45539%0.394SS..Hα-helixtrans-58.9-41.7177.700000112R34 M35 C41 Y42R34-A38 WeakPolarHBondContact O-CB 3.36Å; R34-A38 PolarHBondContact O-N 3.05Å; M35-A38 PolarHBondContact O-N 3.3Å; A38-C41 PolarHBondContact O-N 3.26Å; A38-Y42 WeakPolarHBondContact O-CB 3.33Å; A38-Y42 PolarHBondContact O-N 3.34Å
39L80.4Confident77.2Confident59 Ų5983.5 Ų83.531%0.30941%0.411SS..Hα-helixtrans-74-29179.6-74.9166.9000113.4M35 T36 F37 S43M35-L39 HydrophobicContact CE-CD1 4.26Å; M35-L39 HydrophobicContact CG-CD1 4.04Å; M35-L39 WeakPolarHBondContact O-CB 3.36Å; M35-L39 WeakPolarHBondContact O-CG 3.47Å; M35-L39 PolarHBondContact O-N 3.2Å; T36-L39 PolarHBondContact O-N 3.04Å; F37-L39 VanDerWaalsContact C-N 3.29Å; F37-L39 PolarHBondContact O-N 3.46Å; L39-S43 WeakPolarHBondContact O-CB 3.34Å; L39-S43 PolarHBondContact O-N 3.17Å; L39-S43 PolarHBondContact O-OG 3.47Å
40C82.4Confident78.5Confident16 Ų1677.1 Ų77.111%0.10838%0.381CS..Hα-helixtrans-64.4-50.9168.8-79.20000110.4T36 F37 Y42 S43 L44T36-C40 PolarHBondContact O-N 3.01Å; T36-C40 PolarHBondContact O-SG 3.24Å; F37-C40 PolarHBondContact O-N 3.25Å; C40-Y42 VanDerWaalsContact C-N 3.27Å; C40-Y42 PolarHBondContact O-N 3.46Å; C40-S43 PolarHBondContact O-N 3.34Å; C40-L44 PolarHBondContact O-N 3.03Å
41C84.4Confident79.5Confident59 Ų5976.9 Ų76.940%0.39937%0.373SS..Hα-helixtrans-57.4-41176.4-70.10000112.4F37 A38 L45F37-C41 PolarHBondContact O-N 3.24Å; F37-C41 PolarHBondContact O-SG 3.36Å; A38-C41 PolarHBondContact O-N 3.26Å; C41-L45 PolarHBondContact O-N 3.28Å; C41-L45 VanDerWaalsContact O-N 3.17Å
42Y83.3Confident80.6Confident99 Ų9982.8 Ų82.839%0.38840%0.398SS..Hα-helixtrans-60.9-46.1174177-98.6000111.8A38 C40 L45 F46 H64A38-Y42 WeakPolarHBondContact O-CB 3.33Å; A38-Y42 PolarHBondContact O-N 3.34Å; C40-Y42 VanDerWaalsContact C-N 3.27Å; C40-Y42 PolarHBondContact O-N 3.46Å; Y42-L45 PolarHBondContact O-N 3.02Å; Y42-F46 HydrophobicContact CD1-CD2 4.41Å; Y42-F46 HydrophobicContact CD2-CD2 4Å; Y42-F46 AromaticContact CD2-CE2 3.82Å; Y42-F46 HydrophobicContact CD2-CE2 3.82Å; Y42-F46 HydrophobicContact CE1-CD2 4.09Å; Y42-F46 HydrophobicContact CE1-CE2 4.21Å; Y42-F46 AromaticContact CE2-CD2 3.66Å; Y42-F46 HydrophobicContact CE2-CD2 3.66Å; Y42-F46 AromaticContact CE2-CE2 3.12Å; Y42-F46 HydrophobicContact CE2-CE2 3.12Å; Y42-F46 AromaticContact CE2-CZ 3.88Å; Y42-F46 HydrophobicContact CE2-CZ 3.88Å; Y42-F46 HydrophobicContact CG-CD2 4.36Å; Y42-F46 AromaticContact CZ-CD2 3.68Å; Y42-F46 AromaticContact CZ-CE2 3.35Å; Y42-F46 AromaticContact CZ-CZ 3.81Å; Y42-F46 WeakPolarHBondContact O-CD2 3.48Å; Y42-F46 PolarHBondContact O-N 3.43Å; Y42-F46 VanDerWaalsContact O-N 3.12Å; Y42-F46 WeakPolarHBondContact OH-CE2 3.43Å; Y42-F46 WeakPolarHBondContact OH-CZ 3.32Å; Y42-H64 AromaticContact CE1-CE1 3.79Å
43S83.2Confident81.3Confident0 Ų082.4 Ų82.40%039%0.393CS..Hα-helixtrans-64-43.5-179.9-59.20000112.1L39 C40 L45 F46 M47 N67L39-S43 WeakPolarHBondContact O-CB 3.34Å; L39-S43 PolarHBondContact O-N 3.17Å; L39-S43 PolarHBondContact O-OG 3.47Å; C40-S43 PolarHBondContact O-N 3.34Å; S43-L45 VanDerWaalsContact C-N 3.34Å; S43-L45 PolarHBondContact O-N 3.49Å; S43-F46 PolarHBondContact O-N 2.95Å; S43-M47 WeakPolarHBondContact O-CB 3.46Å; S43-M47 VanDerWaalsContact O-CG 3.3Å; S43-M47 WeakPolarHBondContact O-CG 3.4Å; S43-M47 PolarHBondContact O-N 3.04Å; S43-N67 PolarHBondContact OG-ND2 3.21Å
44L86.8Confident81.9Confident91 Ų9188.5 Ų88.548%0.47641%0.413SS..Hα-helixtrans-58.6-43.7175.1-73172.2000112.8C40 F46 M47 R48 E68C40-L44 PolarHBondContact O-N 3.03Å; L44-F46 VanDerWaalsContact C-N 3.34Å; L44-F46 PolarHBondContact O-N 2.93Å; L44-M47 PolarHBondContact O-N 2.92Å; L44-R48 PolarHBondContact O-N 3.13Å; L44-E68 WeakPolarHBondContact CD2-OE1 3.47Å; L44-E68 VanDerWaalsContact CD2-OE2 3.23Å; L44-E68 WeakPolarHBondContact CD2-OE2 3.3Å; L44-E68 WeakPolarHBondContact CG-OE1 3.5Å; L44-E68 VanDerWaalsContact CG-OE2 3.27Å; L44-E68 WeakPolarHBondContact CG-OE2 3.36Å; L44-E68 PolarHBondContact N-OE2 3.37Å
45L87.2Confident82.3Confident117 Ų11784.1 Ų84.161%0.61341%0.412SS*.Hα-helixtrans-62.5-44.7179.4-175.266000110.8C41 Y42 S43 R48 F49C41-L45 PolarHBondContact O-N 3.28Å; C41-L45 VanDerWaalsContact O-N 3.17Å; Y42-L45 PolarHBondContact O-N 3.02Å; S43-L45 VanDerWaalsContact C-N 3.34Å; S43-L45 PolarHBondContact O-N 3.49Å; L45-R48 PolarHBondContact O-N 2.91Å; L45-F49 PolarHBondContact O-N 3.46Å
46F82.3Confident82.5Confident62 Ų6284.3 Ų84.327%0.27241%0.407SS..Hα-helixtrans-69.9-35.6178.2-89.4-100.4000112.9Y42 S43 L44 F49 A50 L60 H64Y42-F46 HydrophobicContact CD1-CD2 4.41Å; Y42-F46 HydrophobicContact CD2-CD2 4Å; Y42-F46 AromaticContact CD2-CE2 3.82Å; Y42-F46 HydrophobicContact CD2-CE2 3.82Å; Y42-F46 HydrophobicContact CE1-CD2 4.09Å; Y42-F46 HydrophobicContact CE1-CE2 4.21Å; Y42-F46 AromaticContact CE2-CD2 3.66Å; Y42-F46 HydrophobicContact CE2-CD2 3.66Å; Y42-F46 AromaticContact CE2-CE2 3.12Å; Y42-F46 HydrophobicContact CE2-CE2 3.12Å; Y42-F46 AromaticContact CE2-CZ 3.88Å; Y42-F46 HydrophobicContact CE2-CZ 3.88Å; Y42-F46 HydrophobicContact CG-CD2 4.36Å; Y42-F46 AromaticContact CZ-CD2 3.68Å; Y42-F46 AromaticContact CZ-CE2 3.35Å; Y42-F46 AromaticContact CZ-CZ 3.81Å; Y42-F46 WeakPolarHBondContact O-CD2 3.48Å; Y42-F46 PolarHBondContact O-N 3.43Å; Y42-F46 VanDerWaalsContact O-N 3.12Å; Y42-F46 WeakPolarHBondContact OH-CE2 3.43Å; Y42-F46 WeakPolarHBondContact OH-CZ 3.32Å; S43-F46 PolarHBondContact O-N 2.95Å; L44-F46 VanDerWaalsContact C-N 3.34Å; L44-F46 PolarHBondContact O-N 2.93Å; F46-F49 PolarHBondContact O-N 3.4Å; F46-A50 VanDerWaalsContact O-CB 3.28Å; F46-A50 WeakPolarHBondContact O-CB 3.44Å; F46-A50 PolarHBondContact O-N 2.87Å; F46-L60 HydrophobicContact CD1-CD2 4.49Å; F46-H64 VanDerWaalsContact CB-CD2 3.46Å; F46-H64 WeakPolarHBondContact CB-CD2 3.5Å; F46-H64 WeakPolarHBondContact CB-NE2 3.39Å; F46-H64 AromaticContact CD1-CE1 3.99Å; F46-H64 AromaticContact CD1-NE2 3.49Å; F46-H64 WeakPolarHBondContact CD1-NE2 3.18Å; F46-H64 AromaticContact CG-CE1 3.75Å; F46-H64 AromaticContact CG-NE2 3.59Å
47M84.2Confident82.7Confident23 Ų2386.9 Ų86.911%0.11342%0.42CS..Hα-helixtrans-60.9-44.1172-75.8172.86200111.4S43 L44 A50 Y51 F61 H64 L65S43-M47 WeakPolarHBondContact O-CB 3.46Å; S43-M47 VanDerWaalsContact O-CG 3.3Å; S43-M47 WeakPolarHBondContact O-CG 3.4Å; S43-M47 PolarHBondContact O-N 3.04Å; L44-M47 PolarHBondContact O-N 2.92Å; M47-A50 PolarHBondContact O-N 3.21Å; M47-Y51 WeakPolarHBondContact O-CB 3.22Å; M47-Y51 PolarHBondContact O-N 3.34Å; M47-F61 HydrophobicContact CB-CD2 3.86Å; M47-F61 HydrophobicContact CB-CE2 3.86Å; M47-F61 HydrophobicContact CE-CD2 4.32Å; M47-F61 HydrophobicContact CE-CE1 4.36Å; M47-F61 HydrophobicContact CE-CE2 3.56Å; M47-F61 HydrophobicContact CE-CZ 3.58Å; M47-F61 HydrophobicContact CG-CD2 4.06Å; M47-F61 HydrophobicContact CG-CE2 4.16Å; M47-H64 HydrophobicContact CG-CB 3.57Å; M47-H64 HydrophobicContact SD-CB 4.33Å; M47-L65 HydrophobicContact CE-CB 4.1Å; M47-L65 HydrophobicContact CE-CD1 3.58Å; M47-L65 HydrophobicContact CE-CG 4.43Å; M47-L65 HydrophobicContact SD-CB 4.19Å; M47-L65 HydrophobicContact SD-CD1 4.35Å
48R86.8Confident82.7Confident175 Ų17586.9 Ų86.966%0.6642%0.415SS*.Hα-helixtrans-62.8-42.6175.5-179.3175174.383.8-3.4111.8L44 L45 Y51 K52L44-R48 PolarHBondContact O-N 3.13Å; L45-R48 PolarHBondContact O-N 2.91Å; R48-Y51 PolarHBondContact O-N 3.02Å; R48-K52 WeakPolarHBondContact O-CB 3.46Å; R48-K52 WeakPolarHBondContact O-CG 3.39Å; R48-K52 PolarHBondContact O-N 3.44Å; R48-K52 VanDerWaalsContact O-N 3.09Å
49F85.6Confident82.7Confident121 Ų12188.5 Ų88.553%0.53142%0.416SS..Hα-helixtrans-61.9-49.4175.8175.3-101.5000111.7L45 F46 Y51 K52 V53 L60L45-F49 PolarHBondContact O-N 3.46Å; F46-F49 PolarHBondContact O-N 3.4Å; F49-Y51 PolarHBondContact O-N 3.02Å; F49-K52 PolarHBondContact O-N 3.23Å; F49-K52 VanDerWaalsContact O-N 3.08Å; F49-V53 HydrophobicContact CZ-CG2 4.28Å; F49-V53 PolarHBondContact O-N 3.33Å; F49-L60 HydrophobicContact CD1-CD2 4.3Å
50A82.5Confident82.6Confident1 Ų186.5 Ų86.51%0.00841%0.405CS..Hα-helixtrans-58.3-34.7179.600000113F46 M47 N57 L60 F61F46-A50 VanDerWaalsContact O-CB 3.28Å; F46-A50 WeakPolarHBondContact O-CB 3.44Å; F46-A50 PolarHBondContact O-N 2.87Å; M47-A50 PolarHBondContact O-N 3.21Å; A50-N57 PolarHBondContact O-N 3.36Å; A50-N57 VanDerWaalsContact O-N 3.16Å; A50-L60 HydrophobicContact CB-CB 4.05Å; A50-L60 HydrophobicContact CB-CD2 3.97Å; A50-L60 HydrophobicContact CB-CG 4.08Å; A50-F61 HydrophobicContact CB-CB 4.03Å
51Y79.3Confident82.6Confident122 Ų12288.3 Ų88.348%0.47841%0.412SS..Hα-helixtrans-75.6-36176.2-175.2-93.6000113.4M47 R48 F49 W58M47-Y51 WeakPolarHBondContact O-CB 3.22Å; M47-Y51 PolarHBondContact O-N 3.34Å; R48-Y51 PolarHBondContact O-N 3.02Å; F49-Y51 PolarHBondContact O-N 3.02Å; Y51-W58 HydrophobicContact CE2-CH2 4.43Å
52K85.7Confident82.5Confident149 Ų14987.3 Ų87.365%0.64841%0.408SS*.Hα-helixtrans-82.3-28.9-176.4-73-71.3-72.6177.70113.6R48 F49R48-K52 WeakPolarHBondContact O-CB 3.46Å; R48-K52 WeakPolarHBondContact O-CG 3.39Å; R48-K52 PolarHBondContact O-N 3.44Å; R48-K52 VanDerWaalsContact O-N 3.09Å; F49-K52 PolarHBondContact O-N 3.23Å; F49-K52 VanDerWaalsContact O-N 3.08Å
53V82Confident82.5Confident54 Ų5482.7 Ų82.733%0.32739%0.39SS..SBendtrans-67.4139.6178.291.60000110.2F49 P55 R56 N57F49-V53 HydrophobicContact CZ-CG2 4.28Å; F49-V53 PolarHBondContact O-N 3.33Å; V53-P55 CarbonylContact O-C 3.43Å; V53-R56 VanDerWaalsContact O-CA 3.25Å; V53-R56 WeakPolarHBondContact O-CA 3.31Å; V53-R56 PolarHBondContact O-N 3.02Å; V53-N57 HydrophobicContact CG1-CB 4.23Å
54Q80.2Confident82.5Confident162 Ų16282.8 Ų82.876%0.75739%0.39SS*.SBendtrans-117.7133.1173.7-83.3-152.8-13.200111.5
55P80.6Confident82.4Confident125 Ų12582.1 Ų82.181%0.81239%0.387SS*.SBendcis-65.4147-4.827.9-34.2000112.7V53 N57V53-P55 CarbonylContact O-C 3.43Å; P55-N57 PolarHBondContact O-N 2.96Å
56R80.1Confident82.2Confident119 Ų11979 Ų7945%0.44937%0.372SS..  trans-61.9132.3-172.7-67.4178.1-177.1137.2-0.5111.7V53 W58V53-R56 VanDerWaalsContact O-CA 3.25Å; V53-R56 WeakPolarHBondContact O-CA 3.31Å; V53-R56 PolarHBondContact O-N 3.02Å; R56-W58 HydrophobicContact CB-CZ2 4.5Å; R56-W58 PolarHBondContact O-N 3.33Å
57N80.6Confident82.2Confident67 Ų6776.3 Ų76.336%0.35836%0.361SS..  trans-95.279-178.9-167.2-21000111.4A50 V53 P55 L59 L60 F61A50-N57 PolarHBondContact O-N 3.36Å; A50-N57 VanDerWaalsContact O-N 3.16Å; V53-N57 HydrophobicContact CG1-CB 4.23Å; P55-N57 PolarHBondContact O-N 2.96Å; N57-L59 PolarHBondContact O-N 3.09Å; N57-L59 PolarHBondContact OD1-N 3.07Å; N57-L60 HydrophobicContact CB-CB 4.17Å; N57-L60 PolarHBondContact O-N 3.11Å; N57-L60 WeakPolarHBondContact OD1-CB 3.46Å; N57-L60 PolarHBondContact OD1-N 3.47Å; N57-L60 VanDerWaalsContact OD1-N 3.08Å; N57-F61 PolarHBondContact O-N 3.38Å; N57-F61 VanDerWaalsContact O-N 3.12Å
58W78.4Confident82.2Confident148 Ų14876.3 Ų76.356%0.56136%0.361SS*.Hα-helixtrans-63-27.4-178.7-64.5108.3000114.1Y51 R56 F61 A62Y51-W58 HydrophobicContact CE2-CH2 4.43Å; R56-W58 HydrophobicContact CB-CZ2 4.5Å; R56-W58 PolarHBondContact O-N 3.33Å; W58-F61 PolarHBondContact O-N 3.06Å; W58-A62 WeakPolarHBondContact O-CB 3.47Å; W58-A62 PolarHBondContact O-N 3.08Å
59L80.1Confident82.1Confident90 Ų9071 Ų7147%0.47135%0.35SS..Hα-helixtrans-71.1-44.4178.5-73.5158.9000111.4P10 N57 F61 A62 C63P10-L59 HydrophobicContact CB-CB 4.25Å; P10-L59 HydrophobicContact CB-CD1 3.63Å; P10-L59 HydrophobicContact CB-CD2 4.4Å; P10-L59 HydrophobicContact CB-CG 4.29Å; P10-L59 HydrophobicContact CG-CD1 3.62Å; N57-L59 PolarHBondContact O-N 3.09Å; N57-L59 PolarHBondContact OD1-N 3.07Å; L59-F61 VanDerWaalsContact C-N 3.31Å; L59-F61 PolarHBondContact O-N 3.24Å; L59-A62 PolarHBondContact O-N 2.84Å; L59-C63 VanDerWaalsContact O-CB 3.31Å; L59-C63 WeakPolarHBondContact O-CB 3.32Å; L59-C63 PolarHBondContact O-N 3.38Å
60L78.1Confident82Confident16 Ų1665.5 Ų65.58%0.08433%0.328CS..Hα-helixtrans-62.1-42.1173-17365.5000110.6F46 F49 A50 N57 C63 H64F46-L60 HydrophobicContact CD1-CD2 4.49Å; F49-L60 HydrophobicContact CD1-CD2 4.3Å; A50-L60 HydrophobicContact CB-CB 4.05Å; A50-L60 HydrophobicContact CB-CD2 3.97Å; A50-L60 HydrophobicContact CB-CG 4.08Å; N57-L60 HydrophobicContact CB-CB 4.17Å; N57-L60 PolarHBondContact O-N 3.11Å; N57-L60 WeakPolarHBondContact OD1-CB 3.46Å; N57-L60 PolarHBondContact OD1-N 3.47Å; N57-L60 VanDerWaalsContact OD1-N 3.08Å; L60-C63 WeakPolarHBondContact O-CB 3.35Å; L60-C63 PolarHBondContact O-N 3.25Å; L60-H64 WeakPolarHBondContact CD1-NE2 3.49Å; L60-H64 PolarHBondContact O-CD2 3.25Å; L60-H64 PolarHBondContact O-N 2.9Å; L60-H64 VanDerWaalsContact O-N 3.09Å
61F82.9Confident81.8Confident54 Ų5465.7 Ų65.724%0.23733%0.328CS..Hα-helixtrans-59.9-50.6176-177-91.9000112.4M47 A50 N57 W58 L59 C63 H64 L65M47-F61 HydrophobicContact CB-CD2 3.86Å; M47-F61 HydrophobicContact CB-CE2 3.86Å; M47-F61 HydrophobicContact CE-CD2 4.32Å; M47-F61 HydrophobicContact CE-CE1 4.36Å; M47-F61 HydrophobicContact CE-CE2 3.56Å; M47-F61 HydrophobicContact CE-CZ 3.58Å; M47-F61 HydrophobicContact CG-CD2 4.06Å; M47-F61 HydrophobicContact CG-CE2 4.16Å; A50-F61 HydrophobicContact CB-CB 4.03Å; N57-F61 PolarHBondContact O-N 3.38Å; N57-F61 VanDerWaalsContact O-N 3.12Å; W58-F61 PolarHBondContact O-N 3.06Å; L59-F61 VanDerWaalsContact C-N 3.31Å; L59-F61 PolarHBondContact O-N 3.24Å; F61-C63 VanDerWaalsContact C-N 3.31Å; F61-C63 PolarHBondContact O-N 2.99Å; F61-H64 PolarHBondContact O-N 3.42Å; F61-L65 HydrophobicContact CE1-CD2 4.21Å; F61-L65 WeakPolarHBondContact O-CB 3.36Å; F61-L65 PolarHBondContact O-N 2.82Å
62A82.9Confident81.9Confident39 Ų3964.6 Ų64.632%0.32233%0.33SS..Hα-helixtrans-63-37.3-179.900000112.6W58 L59 T66W58-A62 WeakPolarHBondContact O-CB 3.47Å; W58-A62 PolarHBondContact O-N 3.08Å; L59-A62 PolarHBondContact O-N 2.84Å; A62-T66 WeakPolarHBondContact O-CB 3.33Å; A62-T66 PolarHBondContact O-N 2.83Å; A62-T66 PolarHBondContact O-OG1 3.12Å
63C82.3Confident81.8Confident1 Ų161.3 Ų61.31%0.00732%0.322CS..Hα-helixtrans-58.5-54.7174168.80000111.5N13 P17 L59 L60 F61 L65 T66 N67N13-C63 PolarHBondContact O-SG 3.4Å; P17-C63 WeakPolarHBondContact CD-SG 3.33Å; P17-C63 HydrophobicContact CG-CB 4.16Å; P17-C63 WeakPolarHBondContact CG-SG 3.34Å; L59-C63 VanDerWaalsContact O-CB 3.31Å; L59-C63 WeakPolarHBondContact O-CB 3.32Å; L59-C63 PolarHBondContact O-N 3.38Å; L60-C63 WeakPolarHBondContact O-CB 3.35Å; L60-C63 PolarHBondContact O-N 3.25Å; F61-C63 VanDerWaalsContact C-N 3.31Å; F61-C63 PolarHBondContact O-N 2.99Å; C63-L65 PolarHBondContact O-N 2.93Å; C63-T66 PolarHBondContact O-N 2.98Å; C63-N67 PolarHBondContact O-N 2.95Å
64H83Confident81.6Confident3 Ų359.2 Ų59.21%0.01431%0.309CS..Hα-helixtrans-68.7-33.7-179-74-72.6000112.9Y42 F46 M47 L60 F61 T66 N67 E68Y42-H64 AromaticContact CE1-CE1 3.79Å; F46-H64 VanDerWaalsContact CB-CD2 3.46Å; F46-H64 WeakPolarHBondContact CB-CD2 3.5Å; F46-H64 WeakPolarHBondContact CB-NE2 3.39Å; F46-H64 AromaticContact CD1-CE1 3.99Å; F46-H64 AromaticContact CD1-NE2 3.49Å; F46-H64 WeakPolarHBondContact CD1-NE2 3.18Å; F46-H64 AromaticContact CG-CE1 3.75Å; F46-H64 AromaticContact CG-NE2 3.59Å; M47-H64 HydrophobicContact CG-CB 3.57Å; M47-H64 HydrophobicContact SD-CB 4.33Å; L60-H64 WeakPolarHBondContact CD1-NE2 3.49Å; L60-H64 PolarHBondContact O-CD2 3.25Å; L60-H64 PolarHBondContact O-N 2.9Å; L60-H64 VanDerWaalsContact O-N 3.09Å; F61-H64 PolarHBondContact O-N 3.42Å; H64-T66 VanDerWaalsContact C-N 3.31Å; H64-T66 PolarHBondContact O-N 3.3Å; H64-N67 PolarHBondContact O-N 2.8Å; H64-E68 WeakPolarHBondContact O-CB 3.47Å; H64-E68 PolarHBondContact O-N 2.91Å
65L85.6Confident81.4Confident77 Ų7752.2 Ų52.240%0.40328%0.28SS..Hα-helixtrans-60.8-41.3172.8-177.970.1000111.8M47 F61 C63 S69M47-L65 HydrophobicContact CE-CB 4.1Å; M47-L65 HydrophobicContact CE-CD1 3.58Å; M47-L65 HydrophobicContact CE-CG 4.43Å; M47-L65 HydrophobicContact SD-CB 4.19Å; M47-L65 HydrophobicContact SD-CD1 4.35Å; F61-L65 HydrophobicContact CE1-CD2 4.21Å; F61-L65 WeakPolarHBondContact O-CB 3.36Å; F61-L65 PolarHBondContact O-N 2.82Å; C63-L65 PolarHBondContact O-N 2.93Å; L65-S69 WeakPolarHBondContact O-CB 3.49Å; L65-S69 PolarHBondContact O-N 3.01Å; L65-S69 PolarHBondContact O-OG 3.43Å
66T83.3Confident81.3Confident50 Ų5049.4 Ų49.431%0.30726%0.263SS..Hα-helixtrans-68-43.6177.7-55.70000111.1P17 A62 C63 H64 S69 A70P17-T66 HydrophobicContact CB-CG2 4.09Å; A62-T66 WeakPolarHBondContact O-CB 3.33Å; A62-T66 PolarHBondContact O-N 2.83Å; A62-T66 PolarHBondContact O-OG1 3.12Å; C63-T66 PolarHBondContact O-N 2.98Å; H64-T66 VanDerWaalsContact C-N 3.31Å; H64-T66 PolarHBondContact O-N 3.3Å; T66-S69 PolarHBondContact O-N 3.42Å; T66-A70 PolarHBondContact O-N 2.99Å
67N82.1Confident81.2Confident7 Ų749.6 Ų49.64%0.03726%0.264CS..Hα-helixtrans-60.6-45.9175.9-175.542.7000112A20 S43 C63 H64 A70 Q71A20-N67 WeakPolarHBondContact CB-OD1 3.34Å; S43-N67 PolarHBondContact OG-ND2 3.21Å; C63-N67 PolarHBondContact O-N 2.95Å; H64-N67 PolarHBondContact O-N 2.8Å; N67-A70 PolarHBondContact O-N 3.5Å; N67-Q71 PolarHBondContact ND2-NE2 3.47Å; N67-Q71 WeakPolarHBondContact O-CB 3.25Å; N67-Q71 WeakPolarHBondContact O-CG 3.28Å; N67-Q71 PolarHBondContact O-N 2.88Å; N67-Q71 PolarHBondContact OD1-NE2 3.22Å
68E83.8Confident81Confident23 Ų2347.1 Ų47.111%0.10725%0.251CS..Hα-helixtrans-64.2-42.5177.8-176.1153.5-175.200112.1L44 H64 A70 Q71 L72L44-E68 WeakPolarHBondContact CD2-OE1 3.47Å; L44-E68 VanDerWaalsContact CD2-OE2 3.23Å; L44-E68 WeakPolarHBondContact CD2-OE2 3.3Å; L44-E68 WeakPolarHBondContact CG-OE1 3.5Å; L44-E68 VanDerWaalsContact CG-OE2 3.27Å; L44-E68 WeakPolarHBondContact CG-OE2 3.36Å; L44-E68 PolarHBondContact N-OE2 3.37Å; H64-E68 WeakPolarHBondContact O-CB 3.47Å; H64-E68 PolarHBondContact O-N 2.91Å; E68-A70 PolarHBondContact O-N 3.3Å; E68-Q71 PolarHBondContact O-N 2.87Å; E68-L72 HydrophobicContact CG-CD1 4.12Å; E68-L72 HydrophobicContact CG-CG 4.41Å; E68-L72 WeakPolarHBondContact O-CB 3.46Å; E68-L72 WeakPolarHBondContact O-CG 3.24Å; E68-L72 PolarHBondContact O-N 3.42Å
69S85.4Confident80.9Confident62 Ų6245.1 Ų45.143%0.43425%0.25SC..Hα-helixtrans-59.8-45.2175.4-59.50000111.9L65 T66 Q71 L72 V73L65-S69 WeakPolarHBondContact O-CB 3.49Å; L65-S69 PolarHBondContact O-N 3.01Å; L65-S69 PolarHBondContact O-OG 3.43Å; T66-S69 PolarHBondContact O-N 3.42Å; S69-Q71 VanDerWaalsContact C-N 3.34Å; S69-Q71 PolarHBondContact O-N 3.3Å; S69-L72 PolarHBondContact O-N 3.16Å; S69-V73 WeakPolarHBondContact O-CG2 3.34Å; S69-V73 PolarHBondContact O-N 3.37Å
70A82.4Confident80.9Confident7 Ų747.4 Ų47.46%0.05826%0.256CS..Hα-helixtrans-62.2-41.3177.100000112A20 M24 T66 N67 E68 V73 Q74A20-A70 HydrophobicContact CB-CB 4.07Å; M24-A70 HydrophobicContact CE-CB 4.35Å; M24-A70 HydrophobicContact CG-CB 4.29Å; M24-A70 HydrophobicContact SD-CB 3.91Å; T66-A70 PolarHBondContact O-N 2.99Å; N67-A70 PolarHBondContact O-N 3.5Å; E68-A70 PolarHBondContact O-N 3.3Å; A70-V73 PolarHBondContact O-N 3.12Å; A70-Q74 WeakPolarHBondContact O-CG 3.37Å; A70-Q74 PolarHBondContact O-N 3.31Å
71Q79.2Confident80.8Confident5 Ų549.5 Ų49.52%0.02326%0.263CS..Hα-helixtrans-71.7-36.1179.6-75178.42300113.7T36 N67 E68 S69 V73 Q74 G75T36-Q71 HydrophobicContact CG2-CB 3.92Å; T36-Q71 HydrophobicContact CG2-CG 4.46Å; T36-Q71 WeakPolarHBondContact CG2-O 3.46Å; T36-Q71 PolarHBondContact O-OE1 2.9Å; N67-Q71 PolarHBondContact ND2-NE2 3.47Å; N67-Q71 WeakPolarHBondContact O-CB 3.25Å; N67-Q71 WeakPolarHBondContact O-CG 3.28Å; N67-Q71 PolarHBondContact O-N 2.88Å; N67-Q71 PolarHBondContact OD1-NE2 3.22Å; E68-Q71 PolarHBondContact O-N 2.87Å; S69-Q71 VanDerWaalsContact C-N 3.34Å; S69-Q71 PolarHBondContact O-N 3.3Å; Q71-V73 VanDerWaalsContact C-N 3.29Å; Q71-V73 PolarHBondContact O-N 3.36Å; Q71-Q74 PolarHBondContact O-N 2.84Å; Q71-G75 PolarHBondContact O-N 3.47Å
72L81.7Confident80.4Confident99 Ų9951 Ų5152%0.51827%0.273SS..Hα-helixtrans-62.2-39.7172.9-74.8171.3000111.2E68 S69 S76E68-L72 HydrophobicContact CG-CD1 4.12Å; E68-L72 HydrophobicContact CG-CG 4.41Å; E68-L72 WeakPolarHBondContact O-CB 3.46Å; E68-L72 WeakPolarHBondContact O-CG 3.24Å; E68-L72 PolarHBondContact O-N 3.42Å; S69-L72 PolarHBondContact O-N 3.16Å; L72-S76 WeakPolarHBondContact O-CB 3.48Å; L72-S76 PolarHBondContact O-N 3.47Å; L72-S76 PolarHBondContact O-OG 3.3Å
73V83.1Confident80.1Confident79 Ų7954.6 Ų54.648%0.47929%0.285SS..Hα-helixtrans-64.6-46.8174.6172.80000110.9S69 A70 Q71 S76 R77S69-V73 WeakPolarHBondContact O-CG2 3.34Å; S69-V73 PolarHBondContact O-N 3.37Å; A70-V73 PolarHBondContact O-N 3.12Å; Q71-V73 VanDerWaalsContact C-N 3.29Å; Q71-V73 PolarHBondContact O-N 3.36Å; V73-S76 PolarHBondContact O-N 3.18Å; V73-R77 WeakPolarHBondContact O-CG 3.47Å; V73-R77 PolarHBondContact O-N 3.09Å; V73-R77 VanDerWaalsContact O-N 3.08Å
74Q76.7Confident79.6Confident11 Ų1161 Ų615%0.05132%0.315CS..Hα-helixtrans-61.7-45.3175.4-74.3176.9-36.100112.7D23 M24 I31 A70 Q71 S76 R77 L78D23-Q74 PolarHBondContact O-NE2 3.08Å; M24-Q74 VanDerWaalsContact CA-NE2 3.3Å; M24-Q74 HydrophobicContact CG-CG 3.95Å; I31-Q74 HydrophobicContact CD1-CB 4.26Å; I31-Q74 HydrophobicContact CD1-CG 4.23Å; A70-Q74 WeakPolarHBondContact O-CG 3.37Å; A70-Q74 PolarHBondContact O-N 3.31Å; Q71-Q74 PolarHBondContact O-N 2.84Å; Q74-S76 VanDerWaalsContact C-N 3.31Å; Q74-S76 PolarHBondContact O-N 3.5Å; Q74-R77 WeakPolarHBondContact O-CB 3.4Å; Q74-R77 PolarHBondContact O-N 3.13Å; Q74-L78 PolarHBondContact O-N 2.91Å
75G76.7Confident78.8Confident14 Ų1467.3 Ų67.314%0.14434%0.342CS..Hα-helixtrans-60.9-40.8177.700000111.8Q71 R77 L78 I79Q71-G75 PolarHBondContact O-N 3.47Å; G75-R77 PolarHBondContact O-N 3.44Å; G75-L78 PolarHBondContact O-N 3.05Å; G75-I79 VanDerWaalsContact O-CG1 3.3Å; G75-I79 WeakPolarHBondContact O-CG1 3.38Å; G75-I79 PolarHBondContact O-N 2.75Å
76S79.4Confident77.7Confident66 Ų6672.6 Ų72.646%0.46236%0.362SS..Hα-helixtrans-62.7-41.2174.7-60.30000112.2L72 V73 Q74 K80L72-S76 WeakPolarHBondContact O-CB 3.48Å; L72-S76 PolarHBondContact O-N 3.47Å; L72-S76 PolarHBondContact O-OG 3.3Å; V73-S76 PolarHBondContact O-N 3.18Å; Q74-S76 VanDerWaalsContact C-N 3.31Å; Q74-S76 PolarHBondContact O-N 3.5Å; S76-K80 WeakPolarHBondContact O-CG 3.23Å; S76-K80 PolarHBondContact O-N 3.05Å; S76-K80 VanDerWaalsContact O-N 3.14Å
77R77.4Confident76.6Confident124 Ų12475.3 Ų75.347%0.46838%0.383SS..Hα-helixtrans-64.9-41174.9-69.4175.472.3-166.80.8111.8M24 V73 Q74 G75 K80 Y81M24-R77 PolarHBondContact O-NH1 3.44Å; V73-R77 WeakPolarHBondContact O-CG 3.47Å; V73-R77 PolarHBondContact O-N 3.09Å; V73-R77 VanDerWaalsContact O-N 3.08Å; Q74-R77 WeakPolarHBondContact O-CB 3.4Å; Q74-R77 PolarHBondContact O-N 3.13Å; G75-R77 PolarHBondContact O-N 3.44Å; R77-K80 PolarHBondContact O-N 3.42Å; R77-Y81 PolarHBondContact O-N 2.75Å
78L77Confident75.1Confident15 Ų1583 Ų838%0.07944%0.437CS..Hα-helixtrans-64.6-43.4177.2-178.669.7000112.2P28 I31 Q74 G75 Y81 N82P28-L78 WeakPolarHBondContact O-CD1 3.25Å; I31-L78 HydrophobicContact CG2-CD2 4.38Å; I31-L78 WeakPolarHBondContact O-CD1 3.47Å; I31-L78 WeakPolarHBondContact O-CD2 3.46Å; Q74-L78 PolarHBondContact O-N 2.91Å; G75-L78 PolarHBondContact O-N 3.05Å; L78-Y81 PolarHBondContact O-N 2.9Å; L78-N82 WeakPolarHBondContact O-CB 3.47Å; L78-N82 PolarHBondContact O-N 3.4Å; L78-N82 PolarHBondContact O-ND2 3.31Å
79I76.4Confident74.7Confident106 Ų10686 Ų8654%0.54445%0.454SS..Hα-helixtrans-61.1-46.4177.4-69.3165.4000110.2G75 Y81 N82 M83G75-I79 VanDerWaalsContact O-CG1 3.3Å; G75-I79 WeakPolarHBondContact O-CG1 3.38Å; G75-I79 PolarHBondContact O-N 2.75Å; I79-Y81 PolarHBondContact O-N 3.22Å; I79-N82 PolarHBondContact O-N 3.46Å; I79-M83 HydrophobicContact CG2-CG 4.44Å; I79-M83 HydrophobicContact CG2-SD 4.03Å; I79-M83 WeakPolarHBondContact O-CG 3.34Å; I79-M83 PolarHBondContact O-N 3.37Å
80K79.8Confident74.1Confident138 Ų13887.2 Ų87.260%0.646%0.455SS*.Hα-helixtrans-58.1-48175.9-74.6-176.1177.3-171.50112S76 R77 N82 M83 E84S76-K80 WeakPolarHBondContact O-CG 3.23Å; S76-K80 PolarHBondContact O-N 3.05Å; S76-K80 VanDerWaalsContact O-N 3.14Å; R77-K80 PolarHBondContact O-N 3.42Å; K80-N82 PolarHBondContact O-N 3.35Å; K80-M83 PolarHBondContact O-N 3.46Å; K80-E84 PolarHBondContact O-N 3.33Å
81Y75.8Confident73.6Confident60 Ų6091.7 Ų91.724%0.23548%0.477CS..Hα-helixtrans-59.6-44.4177.3176.2-91.6000112.5E29 R77 L78 I79 M83 E84 K85E29-Y81 HydrophobicContact CG-CE1 4.07Å; E29-Y81 HydrophobicContact CG-CE2 4.21Å; E29-Y81 WeakPolarHBondContact CG-OH 3.41Å; E29-Y81 PolarHBondContact OE1-OH 3.32Å; R77-Y81 PolarHBondContact O-N 2.75Å; L78-Y81 PolarHBondContact O-N 2.9Å; I79-Y81 PolarHBondContact O-N 3.22Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.1Å; Y81-E84 PolarHBondContact O-N 3.34Å; Y81-K85 HydrophobicContact CE1-CD 4.31Å; Y81-K85 WeakPolarHBondContact O-CB 3.46Å; Y81-K85 PolarHBondContact O-N 2.87Å
82N75.3Confident73.3Confident84 Ų8496.8 Ų96.845%0.44950%0.503SS..Hα-helixtrans-66.4-33.6177.6-75.8-28.4000112.8L78 I79 K80 K86L78-N82 WeakPolarHBondContact O-CB 3.47Å; L78-N82 PolarHBondContact O-N 3.4Å; L78-N82 PolarHBondContact O-ND2 3.31Å; I79-N82 PolarHBondContact O-N 3.46Å; K80-N82 PolarHBondContact O-N 3.35Å; N82-K86 WeakPolarHBondContact O-CB 3.45Å; N82-K86 PolarHBondContact O-N 3.39Å; N82-K86 VanDerWaalsContact O-N 3.14Å
83M74.8Confident72.8Confident116 Ų11696.6 Ų96.657%0.57150%0.503SS*.Hα-helixtrans-70-42.4175.2-74-179.56.400112.3I79 K80 Y81 K86 S87I79-M83 HydrophobicContact CG2-CG 4.44Å; I79-M83 HydrophobicContact CG2-SD 4.03Å; I79-M83 WeakPolarHBondContact O-CG 3.34Å; I79-M83 PolarHBondContact O-N 3.37Å; K80-M83 PolarHBondContact O-N 3.46Å; Y81-M83 VanDerWaalsContact C-N 3.34Å; Y81-M83 PolarHBondContact O-N 3.1Å; M83-K86 PolarHBondContact O-N 3.13Å; M83-S87 PolarHBondContact O-N 3.46Å; M83-S87 PolarHBondContact O-OG 3Å
84E72.3Confident72.1Confident136 Ų13697.8 Ų97.864%0.63650%0.504SS*.Hα-helixtrans-62.9-46.7175.4-75.3172.2-176.200110.8K80 Y81 K86 S87K80-E84 PolarHBondContact O-N 3.33Å; Y81-E84 PolarHBondContact O-N 3.34Å; E84-K86 VanDerWaalsContact C-N 3.27Å; E84-K86 PolarHBondContact O-N 3.25Å; E84-S87 PolarHBondContact O-N 2.73Å
85K67.1Low71.8Confident134 Ų134104 Ų10458%0.58354%0.536SS*.Hα-helixtrans-61.6-31.2176.4-176.7171-179.8162.60113.6Y81 S87Y81-K85 HydrophobicContact CE1-CD 4.31Å; Y81-K85 WeakPolarHBondContact O-CB 3.46Å; Y81-K85 PolarHBondContact O-N 2.87Å; K85-S87 VanDerWaalsContact C-N 3.25Å; K85-S87 PolarHBondContact O-N 3.18Å
86K63.1Low71.4Confident188 Ų188110.9 Ų110.982%0.81757%0.567SS**THydrogen-bonded Turntrans-76.5-13.4177.7-158.6-178.4-178.9-165.80112.9N82 M83 E84N82-K86 WeakPolarHBondContact O-CB 3.45Å; N82-K86 PolarHBondContact O-N 3.39Å; N82-K86 VanDerWaalsContact O-N 3.14Å; M83-K86 PolarHBondContact O-N 3.13Å; E84-K86 VanDerWaalsContact C-N 3.27Å; E84-K86 PolarHBondContact O-N 3.25Å
87S58.8Low70.7Confident107 Ų107114.7 Ų114.775%0.74858%0.575SS**THydrogen-bonded Turntrans-100.3-0.3-177.6-55.40000113.8M83 E84 K85M83-S87 PolarHBondContact O-N 3.46Å; M83-S87 PolarHBondContact O-OG 3Å; E84-S87 PolarHBondContact O-N 2.73Å; K85-S87 VanDerWaalsContact C-N 3.25Å; K85-S87 PolarHBondContact O-N 3.18Å
88S51.3Low70.1Confident168 Ų168113.8 Ų113.8100%1.17559%0.585SS**  trans-1100171.6-98.50000110.5

Retrieved 88 of 88 residues in 71.2 ms (Link to these results)