A0A3Q0KQ20_SCHMA Loading...

Essential MCU regulator, mitochondrial

Essential regulatory subunit of the mitochondrial calcium uniporter complex (uniplex), a complex that mediates calcium uptake into mitochondria.

AlphaFold DB , UniProt , Accession A0A3Q0KQ20, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 67 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
1M38.2Very low53.3Low251 Ų251155.8 Ų155.8100%1.23679%0.794SS**  01100-90.8165.8167.100108.8
2R46.5Very low55.5Low245 Ų245146.8 Ų146.893%0.92577%0.769SS**  trans-104.195.1175-153.9-175.2-80.7176.3-4.2106.1M4R2-M4 PolarHBondContact O-N 3.28Å
3C45.9Very low57.8Low121 Ų121140 Ų14082%0.81875%0.747SS**  trans-72.4107.6178.1-161.70000107.8S5C3-S5 PolarHBondContact O-N 2.89Å
4M47Very low60Low176 Ų176139.5 Ų139.587%0.86773%0.731SS**  trans-78.598.5167.9-75.5170.387.600106.8R2 S6R2-M4 PolarHBondContact O-N 3.28Å; M4-S6 PolarHBondContact O-N 3.35Å
5S54.5Low61.9Low87 Ų87135.3 Ų135.361%0.60870%0.704SS**  trans-77.8108.5172.7620000109.3C3 D7C3-S5 PolarHBondContact O-N 2.89Å; S5-D7 PolarHBondContact O-N 3.1Å
6S55.9Low63.5Low117 Ų117135.8 Ų135.882%0.81871%0.714SS**  trans-69.486.2169.9-48.70000109.9M4M4-S6 PolarHBondContact O-N 3.35Å
7D56Low65Low93 Ų93133.6 Ų133.650%0.49771%0.713SS.*  trans-99.993.3171.6-102.3-44.9000109.9S5 T9S5-D7 PolarHBondContact O-N 3.1Å; D7-T9 PolarHBondContact O-N 3.44Å; D7-T9 PolarHBondContact OD1-OG1 3.46Å
8T56.9Low66.4Low152 Ų152129.2 Ų129.293%0.93370%0.704SS**  trans-79.335.7158.7290000111.3
9T59.7Low67.7Low94 Ų94124.9 Ų124.958%0.57769%0.688SS**SBendtrans-100.4122.3174.2-57.80000108.1D7 R11D7-T9 PolarHBondContact O-N 3.44Å; D7-T9 PolarHBondContact OD1-OG1 3.46Å; T9-R11 PolarHBondContact O-N 3.07Å
10Y59.8Low68.8Low228 Ų228125.8 Ų125.889%0.89469%0.685SS**  trans-56102.8178-162.8-90.5000109.5G12Y10-G12 PolarHBondContact O-N 3.26Å; Y10-G12 VanDerWaalsContact O-N 3.09Å
11R65.6Low69.7Low150 Ų150122.2 Ų122.257%0.56667%0.668SS**  trans-67.4112.5-179.3-77.2-159.4176-148.6-0.9108.6T9T9-R11 PolarHBondContact O-N 3.07Å
12G79.5Confident72.2Confident47 Ų47116.2 Ų116.249%0.48564%0.642SS.*  trans-63.7-167169.600000112.3Y10 Y14Y10-G12 PolarHBondContact O-N 3.26Å; Y10-G12 VanDerWaalsContact O-N 3.09Å; G12-Y14 PolarHBondContact O-N 3.38Å
13A86.2Confident74.2Confident59 Ų59115.4 Ų115.449%0.48864%0.639SS.*SBendtrans-67.7-4.2-17500000115.4C21A13-C21 PolarHBondContact O-N 3.44Å
14Y88.7Confident76.2Confident133 Ų133114.8 Ų114.852%0.52263%0.633SS.*BIsolated β-bridgetrans-125.7146.2-169.9-55.2-87.5000112.2G12 A19 F20G12-Y14 PolarHBondContact O-N 3.38Å; Y14-A19 CarbonylContact C-O 3.58Å; Y14-A19 WeakPolarHBondContact CA-O 3.32Å; Y14-F20 AromaticContact CD1-CD1 3.88Å; Y14-F20 HydrophobicContact CD1-CD1 3.88Å; Y14-F20 AromaticContact CD1-CE1 3.97Å; Y14-F20 HydrophobicContact CD1-CE1 3.97Å; Y14-F20 HydrophobicContact CD1-CG 4.37Å; Y14-F20 AromaticContact CE1-CD1 3.5Å; Y14-F20 HydrophobicContact CE1-CD1 3.5Å; Y14-F20 VanDerWaalsContact CE1-CD1 3.5Å; Y14-F20 HydrophobicContact CE1-CD2 4.46Å; Y14-F20 AromaticContact CE1-CE1 3.1Å; Y14-F20 HydrophobicContact CE1-CE1 3.1Å; Y14-F20 HydrophobicContact CE1-CE2 4.14Å; Y14-F20 HydrophobicContact CE1-CG 4.17Å; Y14-F20 AromaticContact CE1-CZ 3.46Å; Y14-F20 HydrophobicContact CE1-CZ 3.46Å; Y14-F20 VanDerWaalsContact CE1-CZ 3.46Å; Y14-F20 HydrophobicContact CE2-CE1 4.46Å; Y14-F20 AromaticContact CZ-CE1 3.4Å; Y14-F20 VanDerWaalsContact CZ-CE1 3.4Å; Y14-F20 AromaticContact CZ-CZ 3.9Å; Y14-F20 WeakPolarHBondContact OH-CE1 3.44Å
15K88.9Confident78.3Confident77 Ų77115.9 Ų115.934%0.33564%0.636SS.*  trans-77.2163.3168.6-58.6-178.7-174.9-1780109.2S17 G18 A19 D22K15-S17 PolarHBondContact O-N 3.13Å; K15-S17 VanDerWaalsContact O-N 3.09Å; K15-G18 PolarHBondContact O-N 3.39Å; K15-A19 PolarHBondContact N-O 3.23Å; K15-D22 IonicContact NZ-OD2 2.85Å; K15-D22 PolarHBondContact NZ-OD2 3.45Å
16V86.2Confident80.2Confident142 Ų142119.1 Ų119.186%0.86165%0.645SS**THydrogen-bonded Turntrans-57.3-27.5176.7-179.20000112G18V16-G18 PolarHBondContact O-N 3.01Å
17S90.2Very high82Confident100 Ų100118.5 Ų118.570%0.69963%0.63SS**THydrogen-bonded Turntrans-72.3-3.5173.859.40000114.9K15 A19K15-S17 PolarHBondContact O-N 3.13Å; K15-S17 VanDerWaalsContact O-N 3.09Å; S17-A19 PolarHBondContact O-N 2.64Å
18G89.4Confident83.9Confident53 Ų53124 Ų12455%0.54664%0.644SS.*SBendtrans80.2-6.5-171.600000114.5K15 V16K15-G18 PolarHBondContact O-N 3.39Å; V16-G18 PolarHBondContact O-N 3.01Å
19A90.7Very high85.7Confident48 Ų48123.6 Ų123.640%0.39763%0.629SS.*PPolyproline II helixtrans-68.4145.8174.800000111.2Y14 K15 S17Y14-A19 CarbonylContact C-O 3.58Å; Y14-A19 WeakPolarHBondContact CA-O 3.32Å; K15-A19 PolarHBondContact N-O 3.23Å; S17-A19 PolarHBondContact O-N 2.64Å
20F90.4Very high87.5Confident142 Ų142120.1 Ų120.162%0.62361%0.612SS**BIsolated β-bridgetrans-60.2143.7172-76.7-74.1000111.5Y14Y14-F20 AromaticContact CD1-CD1 3.88Å; Y14-F20 HydrophobicContact CD1-CD1 3.88Å; Y14-F20 AromaticContact CD1-CE1 3.97Å; Y14-F20 HydrophobicContact CD1-CE1 3.97Å; Y14-F20 HydrophobicContact CD1-CG 4.37Å; Y14-F20 AromaticContact CE1-CD1 3.5Å; Y14-F20 HydrophobicContact CE1-CD1 3.5Å; Y14-F20 VanDerWaalsContact CE1-CD1 3.5Å; Y14-F20 HydrophobicContact CE1-CD2 4.46Å; Y14-F20 AromaticContact CE1-CE1 3.1Å; Y14-F20 HydrophobicContact CE1-CE1 3.1Å; Y14-F20 HydrophobicContact CE1-CE2 4.14Å; Y14-F20 HydrophobicContact CE1-CG 4.17Å; Y14-F20 AromaticContact CE1-CZ 3.46Å; Y14-F20 HydrophobicContact CE1-CZ 3.46Å; Y14-F20 VanDerWaalsContact CE1-CZ 3.46Å; Y14-F20 HydrophobicContact CE2-CE1 4.46Å; Y14-F20 AromaticContact CZ-CE1 3.4Å; Y14-F20 VanDerWaalsContact CZ-CE1 3.4Å; Y14-F20 AromaticContact CZ-CZ 3.9Å; Y14-F20 WeakPolarHBondContact OH-CE1 3.44Å
21C88.2Confident89.2Confident51 Ų51115.5 Ų115.535%0.34560%0.602SS.*PPolyproline II helixtrans-63.5148.8166.6-74.10000110.1A13A13-C21 PolarHBondContact O-N 3.44Å
22D90Very high90.8Very high126 Ų126113.9 Ų113.967%0.67460%0.604SS**PPolyproline II helixtrans-61.2150.3174.5-61.1-69.3000109.8K15K15-D22 IonicContact NZ-OD2 2.85Å; K15-D22 PolarHBondContact NZ-OD2 3.45Å
23R88.8Confident91.6Very high228 Ų228119.3 Ų119.386%0.8661%0.61SS**PPolyproline II helixtrans-52.8137.3179.766.5-174.4-177.3-118.50.4110.3Q25R23-Q25 PolarHBondContact O-N 2.85Å
24P88.5Confident92.1Very high107 Ų107119.9 Ų119.970%0.69561%0.61SS**PPolyproline II helixtrans-58.7140.2177.924.6-33.3000110I26P24-I26 PolarHBondContact O-N 3.45Å
25Q91.4Very high92.6Very high199 Ų199117.9 Ų117.993%0.9361%0.608SS**PPolyproline II helixtrans-76.2117.7177.2-65.4-169.6-2.900109.5R23R23-Q25 PolarHBondContact O-N 2.85Å
26I92.9Very high93Very high155 Ų155117.4 Ų117.480%0.79562%0.618SS**PPolyproline II helixtrans-94125.5-179.9-56.5171.7000109P24 R28P24-I26 PolarHBondContact O-N 3.45Å; I26-R28 PolarHBondContact O-N 2.97Å
27M94.7Very high93.5Very high104 Ų104114.6 Ų114.651%0.51260%0.601SS.*PPolyproline II helixtrans-73.8123.6174-173.5162.779.700110.5F29 G30 R33M27-F29 PolarHBondContact O-N 3.39Å; M27-G30 PolarHBondContact O-N 3.47Å; M27-R33 HydrophobicContact CE-CB 4.39Å
28R95Very high93.9Very high208 Ų208111.1 Ų111.179%0.78558%0.581SS**THydrogen-bonded Turntrans-60.8130.6174.3-68.3-178.272.2-177.22.8109.8I26 G30I26-R28 PolarHBondContact O-N 2.97Å; R28-G30 PolarHBondContact O-N 2.99Å
29F95.8Very high94.3Very high144 Ų144114.4 Ų114.463%0.63258%0.584SS**THydrogen-bonded Turntrans55.432.3-178.9-53.3-72.3000113.8M27 I31 L32 R33M27-F29 PolarHBondContact O-N 3.39Å; F29-I31 VanDerWaalsContact C-N 3.32Å; F29-I31 PolarHBondContact O-N 3.03Å; F29-L32 HydrophobicContact CB-CB 4.23Å; F29-L32 PolarHBondContact O-N 3.24Å; F29-L32 VanDerWaalsContact O-N 3.14Å; F29-R33 WeakPolarHBondContact O-CB 3.41Å; F29-R33 PolarHBondContact O-N 2.95Å
30G96Very high94.7Very high21 Ų21115.4 Ų115.422%0.21659%0.586CS.*Hα-helixtrans-54.5-45.2-174.800000114M27 R28 R33 S34M27-G30 PolarHBondContact O-N 3.47Å; R28-G30 PolarHBondContact O-N 2.99Å; G30-R33 PolarHBondContact O-N 3.36Å; G30-S34 PolarHBondContact O-N 3.04Å; G30-S34 PolarHBondContact O-OG 3.41Å
31I97.3Very high95Very high132 Ų132115.7 Ų115.768%0.67759%0.588SS**Hα-helixtrans-65.1-46.8177.6-61.8170.3000111.1F29 R33 S34 L35F29-I31 VanDerWaalsContact C-N 3.32Å; F29-I31 PolarHBondContact O-N 3.03Å; I31-R33 VanDerWaalsContact C-N 3.26Å; I31-R33 PolarHBondContact O-N 3.01Å; I31-S34 PolarHBondContact O-N 3.07Å; I31-S34 PolarHBondContact O-OG 3.5Å; I31-L35 HydrophobicContact CG2-CD1 3.93Å; I31-L35 HydrophobicContact CG2-CG 4.41Å; I31-L35 WeakPolarHBondContact O-CB 3.14Å; I31-L35 VanDerWaalsContact O-CG 3.3Å; I31-L35 WeakPolarHBondContact O-CG 3.21Å; I31-L35 PolarHBondContact O-N 3.37Å
32L97.4Very high95.5Very high115 Ų115118.9 Ų118.960%0.60260%0.6SS**Hα-helixtrans-62.6-39.2179.1-176.365.5000110.8F29 L35 A36F29-L32 HydrophobicContact CB-CB 4.23Å; F29-L32 PolarHBondContact O-N 3.24Å; F29-L32 VanDerWaalsContact O-N 3.14Å; L32-L35 PolarHBondContact O-N 3.46Å; L32-A36 WeakPolarHBondContact O-CB 3.17Å; L32-A36 PolarHBondContact O-N 3.11Å
33R97Very high95.9Very high161 Ų161119 Ų11961%0.60859%0.594SS**Hα-helixtrans-66.6-42.6177.5-169.5177-176.6-178.92.1111.8M27 F29 G30 I31 A36 V37M27-R33 HydrophobicContact CE-CB 4.39Å; F29-R33 WeakPolarHBondContact O-CB 3.41Å; F29-R33 PolarHBondContact O-N 2.95Å; G30-R33 PolarHBondContact O-N 3.36Å; I31-R33 VanDerWaalsContact C-N 3.26Å; I31-R33 PolarHBondContact O-N 3.01Å; R33-A36 PolarHBondContact O-N 3.27Å; R33-V37 WeakPolarHBondContact O-CG2 3.43Å; R33-V37 PolarHBondContact O-N 3.19Å
34S97.4Very high96.4Very high72 Ų72111.8 Ų111.850%0.50358%0.576SS.*Hα-helixtrans-66.4-40.2177.1610000111.7G30 I31 V37 G38G30-S34 PolarHBondContact O-N 3.04Å; G30-S34 PolarHBondContact O-OG 3.41Å; I31-S34 PolarHBondContact O-N 3.07Å; I31-S34 PolarHBondContact O-OG 3.5Å; S34-V37 PolarHBondContact O-N 3.39Å; S34-G38 PolarHBondContact O-N 3.38Å
35L98.3Very high96.8Very high91 Ų91108.4 Ų108.448%0.47656%0.56SS.*Hα-helixtrans-67.1-42.6175.5-69.2174.6000112.4I31 L32 V37 G38 M39I31-L35 HydrophobicContact CG2-CD1 3.93Å; I31-L35 HydrophobicContact CG2-CG 4.41Å; I31-L35 WeakPolarHBondContact O-CB 3.14Å; I31-L35 VanDerWaalsContact O-CG 3.3Å; I31-L35 WeakPolarHBondContact O-CG 3.21Å; I31-L35 PolarHBondContact O-N 3.37Å; L32-L35 PolarHBondContact O-N 3.46Å; L35-V37 PolarHBondContact O-N 3.42Å; L35-G38 PolarHBondContact O-N 3.04Å; L35-M39 WeakPolarHBondContact O-CB 3.48Å; L35-M39 VanDerWaalsContact O-CG 3.3Å; L35-M39 WeakPolarHBondContact O-CG 3.4Å; L35-M39 PolarHBondContact O-N 3.03Å
36A97.8Very high97.1Very high66 Ų66101.8 Ų101.855%0.54554%0.536SS..Hα-helixtrans-62.1-30.5178.700000112.6L32 R33 P40L32-A36 WeakPolarHBondContact O-CB 3.17Å; L32-A36 PolarHBondContact O-N 3.11Å; R33-A36 PolarHBondContact O-N 3.27Å; A36-P40 WeakPolarHBondContact O-CD 3.44Å; A36-P40 WeakPolarHBondContact O-CG 3.27Å
37V97.2Very high97.4Very high83 Ų8399.4 Ų99.450%0.50352%0.523SS..Hα-helixtrans-82.1-50.5172176.30000110.5R33 S34 L35 M39 P40 F41R33-V37 WeakPolarHBondContact O-CG2 3.43Å; R33-V37 PolarHBondContact O-N 3.19Å; S34-V37 PolarHBondContact O-N 3.39Å; L35-V37 PolarHBondContact O-N 3.42Å; V37-M39 PolarHBondContact O-N 3.07Å; V37-P40 WeakPolarHBondContact O-CD 3.48Å; V37-F41 HydrophobicContact CG1-CD2 4.12Å; V37-F41 HydrophobicContact CG1-CE2 4.07Å; V37-F41 WeakPolarHBondContact O-CD2 3.39Å
38G98.3Very high97.5Very high27 Ų2799.9 Ų99.928%0.27853%0.526SS..Hα-helixtrans-63.5-43.6-17300000114.1S34 L35 F41 I42S34-G38 PolarHBondContact O-N 3.38Å; L35-G38 PolarHBondContact O-N 3.04Å; G38-F41 PolarHBondContact O-N 3.23Å; G38-I42 VanDerWaalsContact O-CG1 3.3Å; G38-I42 WeakPolarHBondContact O-CG1 3.33Å; G38-I42 PolarHBondContact O-N 2.85Å
39M98.1Very high97.6Very high122 Ų12294 Ų9460%0.60152%0.517SS*.Hα-helixtrans-61.8-48.4-172.9-71.3-68-122.500113.6L35 V37 F41 I42 F43L35-M39 WeakPolarHBondContact O-CB 3.48Å; L35-M39 VanDerWaalsContact O-CG 3.3Å; L35-M39 WeakPolarHBondContact O-CG 3.4Å; L35-M39 PolarHBondContact O-N 3.03Å; V37-M39 PolarHBondContact O-N 3.07Å; M39-F41 VanDerWaalsContact C-N 3.32Å; M39-F41 PolarHBondContact O-N 3.33Å; M39-I42 PolarHBondContact O-N 2.7Å; M39-F43 WeakPolarHBondContact O-CB 3.27Å; M39-F43 PolarHBondContact O-N 3.26Å
40P98.2Very high97.6Very high69 Ų6995.1 Ų95.145%0.44852%0.517SS..Hα-helixtrans-56.9-42.1174.1-26.733.7000113.4A36 V37 F43 V44A36-P40 WeakPolarHBondContact O-CD 3.44Å; A36-P40 WeakPolarHBondContact O-CG 3.27Å; V37-P40 WeakPolarHBondContact O-CD 3.48Å; P40-F43 PolarHBondContact O-N 2.96Å; P40-V44 WeakPolarHBondContact O-CB 3.33Å; P40-V44 VanDerWaalsContact O-CG2 3.27Å; P40-V44 WeakPolarHBondContact O-CG2 3.43Å; P40-V44 PolarHBondContact O-N 3.37Å
41F97.9Very high97.5Very high149 Ų14997.8 Ų97.865%0.65453%0.529SS*.Hα-helixtrans-70.9-36.8-179.6-75.8-71.4000112.7V37 G38 M39 F43 G45V37-F41 HydrophobicContact CG1-CD2 4.12Å; V37-F41 HydrophobicContact CG1-CE2 4.07Å; V37-F41 WeakPolarHBondContact O-CD2 3.39Å; G38-F41 PolarHBondContact O-N 3.23Å; M39-F41 VanDerWaalsContact C-N 3.32Å; M39-F41 PolarHBondContact O-N 3.33Å; F41-F43 VanDerWaalsContact C-N 3.32Å; F41-G45 WeakPolarHBondContact O-CA 3.16Å; F41-G45 PolarHBondContact O-N 2.91Å
42I98.1Very high97.4Very high117 Ų11792.8 Ų92.860%0.651%0.511SS*.Hα-helixtrans-63-43.6172.5-67.9165.2000109.8G38 M39 G45 S46G38-I42 VanDerWaalsContact O-CG1 3.3Å; G38-I42 WeakPolarHBondContact O-CG1 3.33Å; G38-I42 PolarHBondContact O-N 2.85Å; M39-I42 PolarHBondContact O-N 2.7Å; I42-G45 PolarHBondContact O-N 2.83Å; I42-S46 WeakPolarHBondContact O-CB 3.3Å; I42-S46 PolarHBondContact O-N 2.85Å; I42-S46 PolarHBondContact O-OG 2.85Å
43F98.2Very high97.2Very high128 Ų12889.6 Ų89.656%0.56150%0.5SS*.Hα-helixtrans-64.8-50178.8-176.4-102.4000112M39 P40 F41 G45 S46 M47M39-F43 WeakPolarHBondContact O-CB 3.27Å; M39-F43 PolarHBondContact O-N 3.26Å; P40-F43 PolarHBondContact O-N 2.96Å; F41-F43 VanDerWaalsContact C-N 3.32Å; F43-G45 VanDerWaalsContact C-N 3.3Å; F43-G45 PolarHBondContact O-N 2.93Å; F43-S46 PolarHBondContact O-N 3.33Å; F43-S46 VanDerWaalsContact O-N 3.13Å; F43-S46 PolarHBondContact O-OG 2.81Å; F43-M47 HydrophobicContact CD1-CG 4.44Å; F43-M47 HydrophobicContact CE1-CE 4.26Å; F43-M47 HydrophobicContact CE1-CG 4.09Å; F43-M47 HydrophobicContact CZ-CE 4.09Å; F43-M47 HydrophobicContact CZ-CG 4.23Å; F43-M47 HydrophobicContact CZ-SD 4.26Å; F43-M47 WeakPolarHBondContact O-CG 3.33Å; F43-M47 PolarHBondContact O-N 3.4Å
44V98.3Very high96.9Very high77 Ų7786.2 Ų86.247%0.46749%0.492SS..Hα-helixtrans-59.7-43.1175.51720000110.7P40 S46 M47 I48P40-V44 WeakPolarHBondContact O-CB 3.33Å; P40-V44 VanDerWaalsContact O-CG2 3.27Å; P40-V44 WeakPolarHBondContact O-CG2 3.43Å; P40-V44 PolarHBondContact O-N 3.37Å; V44-S46 VanDerWaalsContact C-N 3.33Å; V44-S46 PolarHBondContact O-N 3.43Å; V44-M47 PolarHBondContact O-N 3.21Å; V44-I48 HydrophobicContact CG1-CD1 3.79Å; V44-I48 HydrophobicContact CG1-CG1 4.43Å; V44-I48 WeakPolarHBondContact O-CG1 3.2Å; V44-I48 PolarHBondContact O-N 3.37Å
45G98.1Very high96.7Very high36 Ų3686.8 Ų86.837%0.37149%0.488SS..Hα-helixtrans-58.5-42.4174.500000112.6F41 I42 F43 M47 I48 S49F41-G45 WeakPolarHBondContact O-CA 3.16Å; F41-G45 PolarHBondContact O-N 2.91Å; I42-G45 PolarHBondContact O-N 2.83Å; F43-G45 VanDerWaalsContact C-N 3.3Å; F43-G45 PolarHBondContact O-N 2.93Å; G45-M47 PolarHBondContact O-N 2.92Å; G45-I48 PolarHBondContact O-N 2.83Å; G45-S49 VanDerWaalsContact O-CB 3.27Å; G45-S49 WeakPolarHBondContact O-CB 3.3Å; G45-S49 PolarHBondContact O-N 3.46Å
46S97.9Very high96.4Very high61 Ų6185.5 Ų85.543%0.42748%0.482SS..Hα-helixtrans-65.2-37.7176.368.10000113I42 F43 V44 S49 R50I42-S46 WeakPolarHBondContact O-CB 3.3Å; I42-S46 PolarHBondContact O-N 2.85Å; I42-S46 PolarHBondContact O-OG 2.85Å; F43-S46 PolarHBondContact O-N 3.33Å; F43-S46 VanDerWaalsContact O-N 3.13Å; F43-S46 PolarHBondContact O-OG 2.81Å; V44-S46 VanDerWaalsContact C-N 3.33Å; V44-S46 PolarHBondContact O-N 3.43Å; S46-S49 PolarHBondContact O-N 3.5Å; S46-R50 PolarHBondContact O-N 3.29Å
47M97.9Very high95.9Very high104 Ų10487.4 Ų87.451%0.51248%0.479SS..Hα-helixtrans-66.3-47.6176.8-67.3-73.3-107.400110.6F43 V44 G45 S49 R50 T51F43-M47 HydrophobicContact CD1-CG 4.44Å; F43-M47 HydrophobicContact CE1-CE 4.26Å; F43-M47 HydrophobicContact CE1-CG 4.09Å; F43-M47 HydrophobicContact CZ-CE 4.09Å; F43-M47 HydrophobicContact CZ-CG 4.23Å; F43-M47 HydrophobicContact CZ-SD 4.26Å; F43-M47 WeakPolarHBondContact O-CG 3.33Å; F43-M47 PolarHBondContact O-N 3.4Å; V44-M47 PolarHBondContact O-N 3.21Å; G45-M47 PolarHBondContact O-N 2.92Å; M47-S49 VanDerWaalsContact C-N 3.28Å; M47-S49 PolarHBondContact O-N 3.3Å; M47-R50 PolarHBondContact O-N 3.18Å; M47-T51 PolarHBondContact O-N 3.39Å; M47-T51 PolarHBondContact O-OG1 3.35Å
48I97.6Very high95.5Very high114 Ų11490.6 Ų90.659%0.58549%0.489SS*.Hα-helixtrans-59.3-42.6174.9-65.1165.8000110.3V44 G45 R50 T51 G52V44-I48 HydrophobicContact CG1-CD1 3.79Å; V44-I48 HydrophobicContact CG1-CG1 4.43Å; V44-I48 WeakPolarHBondContact O-CG1 3.2Å; V44-I48 PolarHBondContact O-N 3.37Å; G45-I48 PolarHBondContact O-N 2.83Å; I48-R50 VanDerWaalsContact C-N 3.33Å; I48-R50 PolarHBondContact O-N 3.48Å; I48-T51 PolarHBondContact O-N 3.29Å; I48-G52 PolarHBondContact O-N 2.81Å
49S96.7Very high95.1Very high85 Ų8597.3 Ų97.359%0.59451%0.507SS*.Hα-helixtrans-62.3-41.1179.5-160.70000111.8G45 S46 M47 A53G45-S49 VanDerWaalsContact O-CB 3.27Å; G45-S49 WeakPolarHBondContact O-CB 3.3Å; G45-S49 PolarHBondContact O-N 3.46Å; S46-S49 PolarHBondContact O-N 3.5Å; M47-S49 VanDerWaalsContact C-N 3.28Å; M47-S49 PolarHBondContact O-N 3.3Å; S49-A53 PolarHBondContact O-N 3.28Å
50R95.2Very high94.4Very high168 Ų16897.5 Ų97.563%0.63451%0.51SS*.Hα-helixtrans-65.5-50.7177-179.8179.6166.8164.11.4111.6S46 M47 I48 G52 A53 E54S46-R50 PolarHBondContact O-N 3.29Å; M47-R50 PolarHBondContact O-N 3.18Å; I48-R50 VanDerWaalsContact C-N 3.33Å; I48-R50 PolarHBondContact O-N 3.48Å; R50-G52 VanDerWaalsContact C-N 3.27Å; R50-G52 PolarHBondContact O-N 3.46Å; R50-A53 PolarHBondContact O-N 3.14Å; R50-E54 IonicContact CZ-OE1 3.56Å; R50-E54 IonicContact NE-OE1 2.89Å; R50-E54 PolarHBondContact NE-OE1 3.46Å; R50-E54 IonicContact NH2-OE1 3.28Å; R50-E54 PolarHBondContact NH2-OE1 2.9Å; R50-E54 PolarHBondContact O-N 3.33Å
51T95.3Very high93.8Very high77 Ų7798.8 Ų98.847%0.47251%0.513SS..Hα-helixtrans-64-35.2179.7-53.60000111.8M47 I48 E54 L55M47-T51 PolarHBondContact O-N 3.39Å; M47-T51 PolarHBondContact O-OG1 3.35Å; I48-T51 PolarHBondContact O-N 3.29Å; T51-E54 PolarHBondContact O-N 2.95Å; T51-L55 WeakPolarHBondContact O-CG 3.45Å; T51-L55 PolarHBondContact O-N 2.9Å
52G94.3Very high92.8Very high27 Ų2798.1 Ų98.128%0.27851%0.51SS..Hα-helixtrans-64.2-42.1174.200000112.6I48 R50 L55 L56I48-G52 PolarHBondContact O-N 2.81Å; R50-G52 VanDerWaalsContact C-N 3.27Å; R50-G52 PolarHBondContact O-N 3.46Å; G52-L55 PolarHBondContact O-N 3.24Å; G52-L56 WeakPolarHBondContact O-CD1 3.39Å; G52-L56 WeakPolarHBondContact O-CG 3.3Å; G52-L56 PolarHBondContact O-N 3.23Å; G52-L56 VanDerWaalsContact O-N 3.07Å
53A92.8Very high91.5Very high47 Ų4796.6 Ų96.639%0.38851%0.506SS..Hα-helixtrans-62.8-46.1174.900000111.7S49 R50 L55 L56 E57S49-A53 PolarHBondContact O-N 3.28Å; R50-A53 PolarHBondContact O-N 3.14Å; A53-L55 VanDerWaalsContact C-N 3.33Å; A53-L55 PolarHBondContact O-N 2.85Å; A53-L56 PolarHBondContact O-N 3Å; A53-L56 VanDerWaalsContact O-N 3.11Å; A53-E57 PolarHBondContact O-N 3.05Å
54E92.2Very high90.2Very high91 Ų9194.5 Ų94.543%0.42551%0.505SS..Hα-helixtrans-58.9-41.8176.5-71.7170.5-177.700111.8R50 T51 L56 E57 E58R50-E54 IonicContact CZ-OE1 3.56Å; R50-E54 IonicContact NE-OE1 2.89Å; R50-E54 PolarHBondContact NE-OE1 3.46Å; R50-E54 IonicContact NH2-OE1 3.28Å; R50-E54 PolarHBondContact NH2-OE1 2.9Å; R50-E54 PolarHBondContact O-N 3.33Å; T51-E54 PolarHBondContact O-N 2.95Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.35Å; E54-E57 PolarHBondContact O-N 3.45Å; E54-E58 PolarHBondContact O-N 2.78Å; E54-E58 VanDerWaalsContact O-N 3.1Å
55L92.7Very high88.9Confident83 Ų8398.9 Ų98.944%0.43552%0.521SS..Hα-helixtrans-65.2-36175.3-76.7176.3000113T51 G52 A53 E58 Y59T51-L55 WeakPolarHBondContact O-CG 3.45Å; T51-L55 PolarHBondContact O-N 2.9Å; G52-L55 PolarHBondContact O-N 3.24Å; A53-L55 VanDerWaalsContact C-N 3.33Å; A53-L55 PolarHBondContact O-N 2.85Å; L55-E58 PolarHBondContact O-N 2.84Å; L55-Y59 WeakPolarHBondContact O-CD2 3.41Å; L55-Y59 PolarHBondContact O-N 2.9Å
56L91.5Very high87.6Confident64 Ų64105 Ų10534%0.33555%0.545SS..Hα-helixtrans-71.5-33.9-180-72.5163.9000112.4G52 A53 E54 D60 I61 F62G52-L56 WeakPolarHBondContact O-CD1 3.39Å; G52-L56 WeakPolarHBondContact O-CG 3.3Å; G52-L56 PolarHBondContact O-N 3.23Å; G52-L56 VanDerWaalsContact O-N 3.07Å; A53-L56 PolarHBondContact O-N 3Å; A53-L56 VanDerWaalsContact O-N 3.11Å; E54-L56 VanDerWaalsContact C-N 3.34Å; E54-L56 PolarHBondContact O-N 3.35Å; L56-D60 PolarHBondContact O-N 3.23Å; L56-I61 HydrophobicContact CD2-CB 4.12Å; L56-I61 HydrophobicContact CD2-CD1 3.99Å; L56-I61 HydrophobicContact CD2-CG2 4.09Å; L56-I61 PolarHBondContact O-N 3.09Å; L56-F62 HydrophobicContact CB-CB 4.32Å; L56-F62 HydrophobicContact CB-CD2 3.88Å; L56-F62 HydrophobicContact CD1-CD2 3.73Å; L56-F62 HydrophobicContact CD1-CE2 4.11Å; L56-F62 HydrophobicContact CD2-CD2 3.84Å; L56-F62 HydrophobicContact CD2-CE2 4.05Å; L56-F62 HydrophobicContact CG-CD2 3.99Å; L56-F62 PolarHBondContact O-N 2.88Å
57E88.1Confident85.6Confident106 Ų106112.6 Ų112.650%0.49558%0.581SS.*Hα-helixtrans-64.8-41.8169.9-74.8175.9-162.800110.9A53 E54 Y59 D60 F62A53-E57 PolarHBondContact O-N 3.05Å; E54-E57 PolarHBondContact O-N 3.45Å; E57-Y59 PolarHBondContact O-N 3.21Å; E57-D60 PolarHBondContact O-N 3.39Å; E57-F62 VanDerWaalsContact CG-O 3.32Å; E57-F62 WeakPolarHBondContact CG-O 3.34Å
58E88.4Confident85Confident150 Ų150113.1 Ų113.170%0.70158%0.584SS**Hα-helixtrans-60.9-32.1178.1-174.1171.7-16800113E54 L55E54-E58 PolarHBondContact O-N 2.78Å; E54-E58 VanDerWaalsContact O-N 3.1Å; L55-E58 PolarHBondContact O-N 2.84Å
59Y90.5Very high84.3Confident168 Ų168113 Ų11366%0.65958%0.584SS**THydrogen-bonded Turntrans-928.5177.2-70.2-66.5000114.5L55 E57 I61L55-Y59 WeakPolarHBondContact O-CD2 3.41Å; L55-Y59 PolarHBondContact O-N 2.9Å; E57-Y59 PolarHBondContact O-N 3.21Å; Y59-I61 PolarHBondContact O-N 3.28Å
60D82.8Confident83.6Confident126 Ų126114.6 Ų114.667%0.67458%0.583SS**THydrogen-bonded Turntrans50.929-175.4-163.731.5000112.7L56 E57 T63L56-D60 PolarHBondContact O-N 3.23Å; E57-D60 PolarHBondContact O-N 3.39Å; D60-T63 PolarHBondContact OD1-OG1 3.09Å
61I85.7Confident83Confident97 Ų97111.4 Ų111.450%0.49758%0.58SS.*SBendtrans-81.5-40.3177.9-60.3174.6000108.9L56 Y59L56-I61 HydrophobicContact CD2-CB 4.12Å; L56-I61 HydrophobicContact CD2-CD1 3.99Å; L56-I61 HydrophobicContact CD2-CG2 4.09Å; L56-I61 PolarHBondContact O-N 3.09Å; Y59-I61 PolarHBondContact O-N 3.28Å
62F77.1Confident82.2Confident135 Ų135113.6 Ų113.659%0.59259%0.587SS**  trans-135.3102.6176.4-65.8-68.4000108.9L56 E57L56-F62 HydrophobicContact CB-CB 4.32Å; L56-F62 HydrophobicContact CB-CD2 3.88Å; L56-F62 HydrophobicContact CD1-CD2 3.73Å; L56-F62 HydrophobicContact CD1-CE2 4.11Å; L56-F62 HydrophobicContact CD2-CD2 3.84Å; L56-F62 HydrophobicContact CD2-CE2 4.05Å; L56-F62 HydrophobicContact CG-CD2 3.99Å; L56-F62 PolarHBondContact O-N 2.88Å; E57-F62 VanDerWaalsContact CG-O 3.32Å; E57-F62 WeakPolarHBondContact CG-O 3.34Å
63T70.8Confident81.4Confident85 Ų85119.3 Ų119.352%0.52161%0.608SS.*  trans-106.8113.9170.8-52.70000106.2D60 Q65D60-T63 PolarHBondContact OD1-OG1 3.09Å; T63-Q65 PolarHBondContact O-N 3.32Å
64P69.6Low80.6Confident84 Ų84124.5 Ų124.555%0.54562%0.623SS.*  trans-62.3127177.124.9-30.6000108.5D66P64-D66 PolarHBondContact O-N 3.26Å
65Q71.7Confident79.7Confident169 Ų169127.1 Ų127.179%0.7964%0.639SS**  trans-77.8115.1170.1-61.1-146.6-3000107.3T63 D67T63-Q65 PolarHBondContact O-N 3.32Å; Q65-D67 VanDerWaalsContact C-N 3.27Å; Q65-D67 PolarHBondContact O-N 3.28Å
66D70.4Confident78.6Confident165 Ų165130.8 Ų130.888%0.88266%0.656SS**  trans-7084.7171.1-76.4-33.8000108.7P64P64-D66 PolarHBondContact O-N 3.26Å
67D56.3Low77.4Confident220 Ų220136.8 Ų136.8100%1.17669%0.685SS**  trans-95.20161.8-81-25.2000110.8Q65Q65-D67 VanDerWaalsContact C-N 3.27Å; Q65-D67 PolarHBondContact O-N 3.28Å

Retrieved 67 of 67 residues in 37.7 ms (Link to these results)