A0A096LZF9_POEFO Loading...

Protein phosphatase 1, regulatory (inhibitor) subunit 2

AlphaFold DB , UniProt , Accession A0A096LZF9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 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
1M68.7Low83.3Confident242 Ų242148.9 Ų148.9100%1.19284%0.839SS**  0121.20-67-59.4-176.700107.6
2A74.6Confident83.5Confident104 Ų104152.6 Ų152.686%0.8684%0.839SS**PPolyproline II helixtrans-76.7137.5175.600000109.8
3A80.8Confident83.8Confident89 Ų89146.8 Ų146.874%0.73681%0.806SS**PPolyproline II helixtrans-68.6139.5177.100000110.7
4P81.4Confident82.8Confident126 Ų126152.2 Ų152.282%0.81882%0.818SS**PPolyproline II helixtrans-64.5136.1177.126.8-33.5000110.6
5R83.7Confident81.5Confident232 Ų232150.1 Ų150.188%0.87581%0.806SS**PPolyproline II helixtrans-75.2141179-63.6-174.4-178.2-139.30.7110.3I7R5-I7 PolarHBondContact O-N 3.17Å
6P83.4Confident80.1Confident118 Ų118147.6 Ų147.677%0.76680%0.804SS**PPolyproline II helixtrans-64.5130.2176.926-33.7000111.2
7I86.8Confident78.9Confident171 Ų171143 Ų14388%0.87780%0.799SS**PPolyproline II helixtrans-78.2126.8-180-56.6174.1000109R5R5-I7 PolarHBondContact O-N 3.17Å
8K86.9Confident77.3Confident194 Ų194148.5 Ų148.584%0.84381%0.805SS**PPolyproline II helixtrans-91.5127.3176.5-61177.6-177.4179.60109.4
9G88.5Confident75.5Confident75 Ų75147.8 Ų147.877%0.77380%0.801SS**PPolyproline II helixtrans-74.2158.6176.800000113.4
10I90.9Very high74.2Confident145 Ų145149.7 Ų149.774%0.74481%0.809SS**  trans-94.5-8.7-179.763.1170.7000114.7K12I10-K12 VanDerWaalsContact O-CD 3.28Å; I10-K12 WeakPolarHBondContact O-CD 3.24Å; I10-K12 VanDerWaalsContact O-CE 3.25Å; I10-K12 WeakPolarHBondContact O-CE 3.39Å; I10-K12 PolarHBondContact O-N 3.46Å
11L90.4Very high73.1Confident142 Ų142151.4 Ų151.474%0.74381%0.809SS**  trans-69.1112.2179.9-177.764.5000110.3
12K86.4Confident71.7Confident193 Ų193145.3 Ų145.384%0.83979%0.79SS**  trans-107.883.2-178.4-60.6128.1-174.6164.70110.1I10I10-K12 VanDerWaalsContact O-CD 3.28Å; I10-K12 WeakPolarHBondContact O-CD 3.24Å; I10-K12 VanDerWaalsContact O-CE 3.25Å; I10-K12 WeakPolarHBondContact O-CE 3.39Å; I10-K12 PolarHBondContact O-N 3.46Å
13N86.8Confident69.8Low77 Ų77147 Ų14741%0.41279%0.789SS.*  trans-104.5136.4169.955.43.6000110.8N15 S16N13-N15 WeakPolarHBondContact CB-OD1 3.31Å; N13-N15 VanDerWaalsContact CG-OD1 3.31Å; N13-N15 PolarHBondContact O-N 3.02Å; N13-S16 PolarHBondContact O-N 2.98Å
14K70.4Confident68.1Low223 Ų223147.9 Ų147.997%0.9779%0.791SS**THydrogen-bonded Turntrans-76.211.7-167.4-162.4158.7179.91720114.4
15N62.1Low65.8Low121 Ų121149.8 Ų149.865%0.64779%0.794SS**THydrogen-bonded Turntrans-122.10.4-174.853.45.1000114N13 G17N13-N15 WeakPolarHBondContact CB-OD1 3.31Å; N13-N15 VanDerWaalsContact CG-OD1 3.31Å; N13-N15 PolarHBondContact O-N 3.02Å; N15-G17 PolarHBondContact O-N 3.18Å
16S60.1Low63.7Low110 Ų110147 Ų14777%0.76979%0.791SS**  trans-76.352.7173.7-159.40000112.5N13N13-S16 PolarHBondContact O-N 2.98Å
17G58.6Low61.5Low69 Ų69145 Ų14571%0.71179%0.785SS**  trans-129.530.2-17000000114N15N15-G17 PolarHBondContact O-N 3.18Å
18R51.2Low59.5Low242 Ų242142.8 Ų142.891%0.91378%0.781SS**SBendtrans-99.884.7177.2-69.6-175.872.1148.7-0.8111.9
19N42Very low57.3Low135 Ų135138.5 Ų138.572%0.72278%0.782SS**  trans61.277.7145-162.728.2000118.1K21N19-K21 VanDerWaalsContact OD1-CB 3.31Å; N19-K21 WeakPolarHBondContact OD1-CB 3.27Å
20L50.9Low54.5Low185 Ų185144.2 Ų144.297%0.96979%0.788SS**  trans-85105.4150.4-74.7170.5000108.4
21K51.1Low52.4Low186 Ų186143.7 Ų143.781%0.80979%0.791SS**  trans-144.381.1174.9-163.4160.5-171.3168.20113.6N19N19-K21 VanDerWaalsContact OD1-CB 3.31Å; N19-K21 WeakPolarHBondContact OD1-CB 3.27Å
22S38.4Very low49.7Very low115 Ų115142.8 Ų142.880%0.80479%0.792SS**  trans-170.9147.2152.148.90000108.3
23V36Very low47.3Very low138 Ų138142.1 Ų142.184%0.83679%0.792SS**  cis-148.2149.1-18.6128.50000105.4
24S43.7Very low45.1Very low109 Ų109148 Ų14876%0.76282%0.817SS**  trans-68.9147176-49.10000112
25D34.2Very low43.5Very low166 Ų166140.1 Ų140.189%0.88880%0.799SS**  trans-144.9159.9145.7-144.3-73.1000109
26E39.1Very low42.7Very low173 Ų173140.4 Ų140.481%0.80881%0.807SS**  trans-118.6139.5-146.6-146.6-151.5129.700116
27A36.3Very low41.6Very low77 Ų77144 Ų14464%0.63681%0.812SS**  trans64169.8148.200000120.2
28P45.1Very low41.1Very low124 Ų124148.1 Ų148.181%0.80582%0.817SS**  cis-127.9159.1-16.421.11.7000116.2
29A40Very low40.7Very low103 Ų103141.3 Ų141.385%0.85181%0.806SS**  trans32.7122144.800000123.3
30E31.6Very low41.1Very low195 Ų195144.3 Ų144.391%0.91182%0.816SS**  trans-148153.5131.3-161.8164.6-172.800110.7
31V45.3Very low41.1Very low134 Ų134142.6 Ų142.681%0.81281%0.808SS**  trans-97.9133.5-171169.40000111.4
32T34.7Very low40.9Very low124 Ų124139 Ų13976%0.76180%0.797SS**  trans-153.4127.2156.1-35.40000113.2
33E36.6Very low41.6Very low179 Ų179142.8 Ų142.884%0.83680%0.802SS**  trans26.3141.8161.3-67.8-174.1113.300124.5G35E33-G35 PolarHBondContact O-N 2.93Å
34H38.8Very low42.6Very low200 Ų200142.7 Ų142.793%0.92679%0.792SS**PPolyproline II helixtrans-59.4121.9168.5-66.2-91.2000113.4
35G37.6Very low43.8Very low58 Ų58147 Ų14760%0.59880%0.797SS**PPolyproline II helixtrans-101.5157.8148.400000109.9E33 E37E33-G35 PolarHBondContact O-N 2.93Å; G35-E37 PolarHBondContact O-N 3.43Å; G35-E37 VanDerWaalsContact O-N 3.17Å
36P45.1Very low46.1Very low127 Ų127148.9 Ų148.983%0.82580%0.797SS**PPolyproline II helixtrans-65.5119-178.427-33.4000110.7L38P36-L38 PolarHBondContact O-N 3.49Å
37E38Very low48.3Very low185 Ų185145.6 Ų145.686%0.86479%0.794SS**  trans-65.894.8173.6-171.6178156.900109.3G35 S39G35-E37 PolarHBondContact O-N 3.43Å; G35-E37 VanDerWaalsContact O-N 3.17Å; E37-S39 VanDerWaalsContact C-N 3.34Å; E37-S39 PolarHBondContact O-N 2.7Å
38L46.9Very low51.1Low156 Ų156146.9 Ų146.982%0.81780%0.804SS**  trans-70.695.6166.7-70.4175.6000107.6P36 E40P36-L38 PolarHBondContact O-N 3.49Å; L38-E40 PolarHBondContact O-N 3.41Å
39S43.5Very low53.5Low98 Ų98149.5 Ų149.569%0.68580%0.803SS**  trans-48.6117.4-179.253.30000112E37 D41E37-S39 VanDerWaalsContact C-N 3.34Å; E37-S39 PolarHBondContact O-N 2.7Å; S39-D41 PolarHBondContact O-N 3.14Å
40E51.4Low56.1Low198 Ų198154 Ų15493%0.92580%0.798SS**SBendtrans-78.353-174.1-60-171.5109.900113.5L38L38-E40 PolarHBondContact O-N 3.41Å
41D49.5Very low59.2Low150 Ų150149.7 Ų149.780%0.80278%0.781SS**  trans-142.555.9173.4-141.2-52.4000112.8S39S39-D41 PolarHBondContact O-N 3.14Å
42D46.3Very low61.6Low110 Ų110148.7 Ų148.759%0.58877%0.768SS**  trans-13790162-126.1-32.7000111.5Q44D42-Q44 HydrophobicContact CB-CB 4.41Å; D42-Q44 VanDerWaalsContact CG-NE2 3.29Å; D42-Q44 PolarHBondContact O-N 3.09Å; D42-Q44 VanDerWaalsContact OD1-CG 3.24Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.38Å; D42-Q44 PolarHBondContact OD1-N 3.08Å; D42-Q44 PolarHBondContact OD1-NE2 3.02Å; D42-Q44 PolarHBondContact OD2-NE2 3.15Å
43H53.7Low64.4Low195 Ų195149.4 Ų149.490%0.90376%0.764SS**  trans-72.834.9157.1-77.3-41.8000111.9K45H43-K45 PolarHBondContact O-N 3.12Å; H43-K45 VanDerWaalsContact O-N 3.12Å
44Q56.6Low67.1Low135 Ų135145.2 Ų145.263%0.63175%0.748SS**  trans-43.7121.6155.6-97.4174.849.100108.5D42 K46D42-Q44 HydrophobicContact CB-CB 4.41Å; D42-Q44 VanDerWaalsContact CG-NE2 3.29Å; D42-Q44 PolarHBondContact O-N 3.09Å; D42-Q44 VanDerWaalsContact OD1-CG 3.24Å; D42-Q44 WeakPolarHBondContact OD1-CG 3.38Å; D42-Q44 PolarHBondContact OD1-N 3.08Å; D42-Q44 PolarHBondContact OD1-NE2 3.02Å; D42-Q44 PolarHBondContact OD2-NE2 3.15Å; Q44-K46 PolarHBondContact O-N 3.41Å
45K69Low69.6Low199 Ų199139.3 Ų139.387%0.86572%0.722SS**  trans-59.5105.8178.6-63.1168.5-174.9172.60106.7H43 S47H43-K45 PolarHBondContact O-N 3.12Å; H43-K45 VanDerWaalsContact O-N 3.12Å; K45-S47 PolarHBondContact O-N 3.35Å
46K82.4Confident72Confident206 Ų206142.1 Ų142.190%0.89672%0.722SS**  trans-54.7103.1179.9-48.2-177.6-171.3-166.30107.5Q44Q44-K46 PolarHBondContact O-N 3.41Å
47S87Confident74.1Confident105 Ų105140 Ų14073%0.73472%0.716SS**  trans-69.3147.617745.60000109K45 K49K45-S47 PolarHBondContact O-N 3.35Å; S47-K49 PolarHBondContact O-N 3.25Å
48A93.9Very high76.4Confident103 Ų103135.3 Ų135.385%0.85170%0.7SS**  trans-63.3136.1163.700000108.3
49K95.2Very high78.2Confident179 Ų179134.7 Ų134.778%0.77869%0.688SS**  trans-136.1137.4173.5178.7175.1177.7-179.30108.1S47S47-K49 PolarHBondContact O-N 3.25Å
50W96.1Very high79.8Confident199 Ų199135.3 Ų135.375%0.75468%0.679SS**  trans-80.4150.5175.1-60.2111.1000111.2E52W50-E52 PolarHBondContact O-N 2.98Å
51D96.6Very high80.9Confident104 Ų104128 Ų12856%0.55665%0.65SS**  trans-89.194.1169.1179.95.4000108.5M53 N54 I55D51-M53 PolarHBondContact O-N 2.9Å; D51-M53 VanDerWaalsContact O-N 3.08Å; D51-M53 WeakPolarHBondContact OD1-CB 3.46Å; D51-M53 PolarHBondContact OD1-N 3.31Å; D51-M53 VanDerWaalsContact OD1-N 3.14Å; D51-N54 HydrophobicContact CB-CB 3.95Å; D51-N54 WeakPolarHBondContact O-CA 3.25Å; D51-N54 WeakPolarHBondContact O-CB 3.28Å; D51-N54 PolarHBondContact O-N 2.97Å; D51-I55 PolarHBondContact O-N 3.42Å
52E94.8Very high81.7Confident112 Ų112126.2 Ų126.252%0.52365%0.646SS.*Hα-helixtrans-54.7-29.2-178.8-48-55.7158.500112.5W50 L56W50-E52 PolarHBondContact O-N 2.98Å; E52-L56 WeakPolarHBondContact O-CB 3.24Å; E52-L56 VanDerWaalsContact O-CG 3.24Å; E52-L56 WeakPolarHBondContact O-CG 3.37Å; E52-L56 PolarHBondContact O-N 3.04Å
53M94.2Very high82.4Confident140 Ų140128.2 Ų128.269%0.6966%0.656SS**Hα-helixtrans-70.5-36.6176.5-170.661.862.800111.5D51 A57D51-M53 PolarHBondContact O-N 2.9Å; D51-M53 VanDerWaalsContact O-N 3.08Å; D51-M53 WeakPolarHBondContact OD1-CB 3.46Å; D51-M53 PolarHBondContact OD1-N 3.31Å; D51-M53 VanDerWaalsContact OD1-N 3.14Å; M53-A57 VanDerWaalsContact O-CB 3.27Å; M53-A57 WeakPolarHBondContact O-CB 3.18Å; M53-A57 PolarHBondContact O-N 2.85Å
54N92.3Very high82.9Confident91 Ų91125 Ų12549%0.48764%0.64SS.*Hα-helixtrans-69.4-43174.1-179.3-112.5000111.6D51 A57 T58D51-N54 HydrophobicContact CB-CB 3.95Å; D51-N54 WeakPolarHBondContact O-CA 3.25Å; D51-N54 WeakPolarHBondContact O-CB 3.28Å; D51-N54 PolarHBondContact O-N 2.97Å; N54-A57 PolarHBondContact O-N 2.89Å; N54-T58 PolarHBondContact O-N 3.36Å; N54-T58 VanDerWaalsContact O-N 3.15Å; N54-T58 PolarHBondContact O-OG1 2.94Å
55I91.4Very high83.1Confident75 Ų75122.5 Ų122.539%0.38563%0.631SS.*Hα-helixtrans-57.4-52.8175.1-57.4-55.2000109.9D51 A57 T58 Y59D51-I55 PolarHBondContact O-N 3.42Å; I55-A57 VanDerWaalsContact C-N 3.32Å; I55-A57 PolarHBondContact O-N 2.84Å; I55-T58 CarbonylContact O-C 3.54Å; I55-T58 PolarHBondContact O-N 3.19Å; I55-T58 VanDerWaalsContact O-N 3.09Å; I55-T58 PolarHBondContact O-OG1 2.96Å; I55-Y59 PolarHBondContact O-N 3.3Å
56L89.1Confident82.7Confident117 Ų117120 Ų12061%0.61362%0.617SS**Hα-helixtrans-60.7-35.7177.7-71.9170.8000113.5E52 T58 Y59E52-L56 WeakPolarHBondContact O-CB 3.24Å; E52-L56 VanDerWaalsContact O-CG 3.24Å; E52-L56 WeakPolarHBondContact O-CG 3.37Å; E52-L56 PolarHBondContact O-N 3.04Å; L56-T58 VanDerWaalsContact C-N 3.26Å; L56-T58 PolarHBondContact O-N 3.38Å; L56-Y59 PolarHBondContact O-N 3.49Å
57A88.5Confident81.8Confident83 Ų83113.9 Ų113.969%0.68661%0.612SS**Hα-helixtrans-67.4-26.6176.800000113.2M53 N54 I55M53-A57 VanDerWaalsContact O-CB 3.27Å; M53-A57 WeakPolarHBondContact O-CB 3.18Å; M53-A57 PolarHBondContact O-N 2.85Å; N54-A57 PolarHBondContact O-N 2.89Å; I55-A57 VanDerWaalsContact C-N 3.32Å; I55-A57 PolarHBondContact O-N 2.84Å
58T86.8Confident80.6Confident86 Ų86114 Ų11453%0.52860%0.604SS.*Hα-helixtrans-96.4-10.4174.359.90000114N54 I55 L56 H60N54-T58 PolarHBondContact O-N 3.36Å; N54-T58 VanDerWaalsContact O-N 3.15Å; N54-T58 PolarHBondContact O-OG1 2.94Å; I55-T58 CarbonylContact O-C 3.54Å; I55-T58 PolarHBondContact O-N 3.19Å; I55-T58 VanDerWaalsContact O-N 3.09Å; I55-T58 PolarHBondContact O-OG1 2.96Å; L56-T58 VanDerWaalsContact C-N 3.26Å; L56-T58 PolarHBondContact O-N 3.38Å; T58-H60 PolarHBondContact O-CE1 2.9Å; T58-H60 PolarHBondContact O-N 2.81Å; T58-H60 PolarHBondContact O-ND1 3.39Å
59Y83.6Confident79.3Confident144 Ų144116.5 Ų116.557%0.56560%0.6SS**PPolyproline II helixtrans-70.7124.3179.3-176.4-103.7000110.6I55 L56 P61I55-Y59 PolarHBondContact O-N 3.3Å; L56-Y59 PolarHBondContact O-N 3.49Å; Y59-P61 WeakPolarHBondContact O-CD 3.27Å
60H76.9Confident78.2Confident110 Ų110117.5 Ų117.551%0.50960%0.604SS.*PPolyproline II helixtrans-86.8119.9179.1-66.440.9000108T58 Y66T58-H60 PolarHBondContact O-CE1 2.9Å; T58-H60 PolarHBondContact O-N 2.81Å; T58-H60 PolarHBondContact O-ND1 3.39Å; H60-Y66 HydrophobicContact CB-CD2 4Å; H60-Y66 HydrophobicContact CB-CE2 3.84Å; H60-Y66 AromaticContact CD2-CD2 3.18Å; H60-Y66 WeakPolarHBondContact CD2-CD2 3.49Å; H60-Y66 AromaticContact CD2-CE2 3.64Å; H60-Y66 AromaticContact CD2-CG 3.67Å; H60-Y66 AromaticContact CG-CD2 3.74Å; H60-Y66 AromaticContact CG-CE2 3.74Å; H60-Y66 AromaticContact NE2-CD2 3.97Å
61P74.5Confident76.9Confident46 Ų46113.7 Ų113.730%0.29960%0.598SS.*PPolyproline II helixtrans-59.9145.9179.6-24.535.3000111.4Y59 D63 K64Y59-P61 WeakPolarHBondContact O-CD 3.27Å; P61-D63 PolarHBondContact O-N 3.05Å; P61-K64 PolarHBondContact O-N 3.26Å
62P66.6Low75.9Confident111 Ų111116.9 Ų116.972%0.72162%0.615SS**THydrogen-bonded Turntrans-57.6-27.8-177.323-34.4000113.2K64P62-K64 VanDerWaalsContact C-N 3.28Å; P62-K64 PolarHBondContact O-N 3.49Å
63D62.1Low75.1Confident152 Ų152117.8 Ų117.881%0.81362%0.619SS**THydrogen-bonded Turntrans-81.73.1179.5-48.1-40.3000114.1P61P61-D63 PolarHBondContact O-N 3.05Å
64K64.2Low74.3Confident128 Ų128116.8 Ų116.856%0.55762%0.623SS**  trans-135.394.3-173.6-69-175.8-178.8176.70112.6P61 P62 Y66P61-K64 PolarHBondContact O-N 3.26Å; P62-K64 VanDerWaalsContact C-N 3.28Å; P62-K64 PolarHBondContact O-N 3.49Å; K64-Y66 HydrophobicContact CB-CD2 4.2Å; K64-Y66 HydrophobicContact CB-CE2 4.04Å; K64-Y66 VanDerWaalsContact O-CD2 3.27Å; K64-Y66 WeakPolarHBondContact O-CD2 3.42Å; K64-Y66 PolarHBondContact O-N 2.98Å
65D59.8Low73.6Confident83 Ų83116.5 Ų116.544%0.44463%0.628SS.*  trans-76.695.9164.1-160.1-17000108.9G67 L68 K143D65-G67 PolarHBondContact O-N 3.06Å; D65-L68 HydrophobicContact CB-CB 3.87Å; D65-L68 VanDerWaalsContact CG-CB 3.42Å; D65-L68 PolarHBondContact O-N 3.1Å; D65-L68 VanDerWaalsContact O-N 3.09Å; D65-L68 WeakPolarHBondContact OD2-CB 3.45Å; D65-L68 VanDerWaalsContact OD2-CD2 3.29Å; D65-L68 WeakPolarHBondContact OD2-CD2 3.33Å; D65-K143 IonicContact OD2-NZ 2.92Å; D65-K143 PolarHBondContact OD2-NZ 3Å
66Y60.6Low72.9Confident146 Ų146116.9 Ų116.957%0.57363%0.634SS**THydrogen-bonded Turntrans-63.997.3-176-78.3-112.3000110.4H60 K64H60-Y66 HydrophobicContact CB-CD2 4Å; H60-Y66 HydrophobicContact CB-CE2 3.84Å; H60-Y66 AromaticContact CD2-CD2 3.18Å; H60-Y66 WeakPolarHBondContact CD2-CD2 3.49Å; H60-Y66 AromaticContact CD2-CE2 3.64Å; H60-Y66 AromaticContact CD2-CG 3.67Å; H60-Y66 AromaticContact CG-CD2 3.74Å; H60-Y66 AromaticContact CG-CE2 3.74Å; H60-Y66 AromaticContact NE2-CD2 3.97Å; K64-Y66 HydrophobicContact CB-CD2 4.2Å; K64-Y66 HydrophobicContact CB-CE2 4.04Å; K64-Y66 VanDerWaalsContact O-CD2 3.27Å; K64-Y66 WeakPolarHBondContact O-CD2 3.42Å; K64-Y66 PolarHBondContact O-N 2.98Å
67G64.5Low72.6Confident77 Ų77117.2 Ų117.279%0.79464%0.643SS**THydrogen-bonded Turntrans111.7-3.3179.700000115.1D65D65-G67 PolarHBondContact O-N 3.06Å
68L60.1Low71.6Confident107 Ų107122 Ų12256%0.5665%0.645SS**THydrogen-bonded Turntrans-109.32.4-179.8-135.578.4000115.5D65 K70D65-L68 HydrophobicContact CB-CB 3.87Å; D65-L68 VanDerWaalsContact CG-CB 3.42Å; D65-L68 PolarHBondContact O-N 3.1Å; D65-L68 VanDerWaalsContact O-N 3.09Å; D65-L68 WeakPolarHBondContact OD2-CB 3.45Å; D65-L68 VanDerWaalsContact OD2-CD2 3.29Å; D65-L68 WeakPolarHBondContact OD2-CD2 3.33Å; L68-K70 PolarHBondContact O-N 3.11Å
69M66.9Low70.5Confident157 Ų157122.6 Ų122.677%0.77365%0.645SS**SBendtrans-66.9124.4164-69.4-167.9-67.100109.4I71M69-I71 PolarHBondContact O-N 2.85Å; M69-I71 VanDerWaalsContact O-N 3.11Å
70K72.8Confident69.5Low199 Ų199126.9 Ų126.987%0.86566%0.66SS**  trans-63.1113161.7-60.2-62.8-176.3-1800106.6L68L68-K70 PolarHBondContact O-N 3.11Å
71I69.4Low68.6Low120 Ų120129.6 Ų129.662%0.61568%0.675SS**  trans-74.8130.1176.8-44.2176.6000106.9M69 E73M69-I71 PolarHBondContact O-N 2.85Å; M69-I71 VanDerWaalsContact O-N 3.11Å; I71-E73 HydrophobicContact CB-CB 4.42Å; I71-E73 HydrophobicContact CB-CG 4.47Å; I71-E73 HydrophobicContact CG2-CB 4.07Å; I71-E73 HydrophobicContact CG2-CG 3.67Å; I71-E73 PolarHBondContact O-N 3.35Å
72D74Confident67.9Low171 Ų171135 Ų13591%0.91470%0.7SS**  trans-70.329.1170.6-73.9-36.1000112.6
73E78.7Confident67Low130 Ų130132.9 Ų132.961%0.60770%0.698SS**SBendtrans-68.6133.4166.6-85.1173.4-15200108.6I71 S75I71-E73 HydrophobicContact CB-CB 4.42Å; I71-E73 HydrophobicContact CB-CG 4.47Å; I71-E73 HydrophobicContact CG2-CB 4.07Å; I71-E73 HydrophobicContact CG2-CG 3.67Å; I71-E73 PolarHBondContact O-N 3.35Å; E73-S75 PolarHBondContact O-N 3.09Å; E73-S75 VanDerWaalsContact O-N 3.1Å
74P77.6Confident66.2Low120 Ų120131.7 Ų131.778%0.77970%0.696SS**  trans-58.9122.7176.525.3-33.3000108.7T76P74-T76 PolarHBondContact O-N 2.91Å
75S77.6Confident65.4Low85 Ų85132.7 Ų132.759%0.59471%0.708SS**  trans-41116.6-176.1-172.50000110.8E73 N79E73-S75 PolarHBondContact O-N 3.09Å; E73-S75 VanDerWaalsContact O-N 3.1Å; S75-N79 WeakPolarHBondContact OG-CB 3.45Å; S75-N79 PolarHBondContact OG-ND2 2.92Å
76T76.4Confident64.7Low83 Ų83136.6 Ų136.651%0.50973%0.729SS.*  trans-58.8141-178.164.70000108.6P74 Y78 N79P74-T76 PolarHBondContact O-N 2.91Å; T76-Y78 PolarHBondContact O-N 3.17Å; T76-N79 WeakPolarHBondContact O-CB 3.29Å; T76-N79 PolarHBondContact O-N 2.77Å
77P82.9Confident63.9Low123 Ų123137.5 Ų137.580%0.79974%0.744SS**THydrogen-bonded Turntrans-57-11.1-169.1-30.636.9000116.7
78Y66.6Low63.2Low183 Ų183140.4 Ų140.472%0.71874%0.741SS**THydrogen-bonded Turntrans-93-7.5-178.2-58.7-75.9000114.6T76 R80 M81T76-Y78 PolarHBondContact O-N 3.17Å; Y78-R80 PolarHBondContact O-N 2.88Å; Y78-M81 PolarHBondContact O-N 3.04Å
79N65.3Low62.6Low99 Ų99143.3 Ų143.353%0.52975%0.752SS.*G310 helixtrans-61.5-17.9-172.1-1497.3000114.4S75 T76 M81S75-N79 WeakPolarHBondContact OG-CB 3.45Å; S75-N79 PolarHBondContact OG-ND2 2.92Å; T76-N79 WeakPolarHBondContact O-CB 3.29Å; T76-N79 PolarHBondContact O-N 2.77Å; N79-M81 VanDerWaalsContact C-N 3.27Å; N79-M81 PolarHBondContact O-N 3Å
80R62.7Low61.8Low235 Ų235138.9 Ų138.989%0.88775%0.746SS**G310 helixtrans-67.8-18.7178.2-179.3177-73.6-911.1114.2Y78 L82Y78-R80 PolarHBondContact O-N 2.88Å; R80-L82 PolarHBondContact O-N 3.27Å
81M57.8Low60.3Low166 Ų166134.6 Ų134.682%0.81875%0.748SS**G310 helixtrans-850.8-173.5-77.9177.466.300115.2Y78 N79Y78-M81 PolarHBondContact O-N 3.04Å; N79-M81 VanDerWaalsContact C-N 3.27Å; N79-M81 PolarHBondContact O-N 3Å
82L58.7Low59.4Low160 Ų160137.5 Ų137.584%0.83876%0.763SS**G310 helixtrans-12717.2-168.8-61.4177.3000115.4R80R80-L82 PolarHBondContact O-N 3.27Å
83G48Very low57.9Low66 Ų66135.5 Ų135.568%0.6876%0.763SS**  trans-132.596.8-176.300000114.3
84V46.4Very low56.9Low127 Ų127136.6 Ų136.677%0.7777%0.773SS**  trans-158.4109.9168.7171.70000103.9
85D45.9Very low55.1Low150 Ų150136.7 Ų136.780%0.80278%0.777SS**  cis-144.8160.5-0.1-65.8-53.7000108.9
86D45.3Very low53.4Low164 Ų164141.7 Ų141.788%0.87779%0.79SS**  trans-136.5132.5177.1-98.3-37.2000110.5
87D45Very low52Low166 Ų166140.8 Ų140.889%0.88880%0.798SS**  trans-177.2155.4169.3-88.9-35.7000107.8
88D48.2Very low50Low138 Ų138144.4 Ų144.474%0.73880%0.804SS**  cis-163.9172.3-32.9-165.910.5000108.8
89E48.1Very low49.2Very low168 Ų168141.2 Ų141.279%0.78581%0.809SS**  trans66.2148.5170.6-62.7-80.7-165.600119
90G50.1Low48.7Very low64 Ų64139.8 Ų139.866%0.6682%0.817SS**  cis133.390.5-5.500000115.6
91A42.7Very low48.3Very low108 Ų108132.7 Ų132.789%0.89382%0.817SS**  trans-163.9159.9169.600000115.9
92L50.5Low48.4Very low181 Ų181129.2 Ų129.295%0.94880%0.801SS**  trans-127.2157.4-170.3-57.1164.7000113
93S42.5Very low49.2Very low130 Ų130123.7 Ų123.791%0.90978%0.778SS**  trans-167.3151145.4-163.30000113.2
94D56Low50.2Low152 Ų152125.9 Ų125.981%0.81378%0.78SS**  trans-131.7154.3-177.4176.924.6000110.7
95S40.8Very low51.4Low122 Ų122127 Ų12785%0.85378%0.777SS**  trans-168.8142165.8-169.80000114
96E42.3Very low52.8Low190 Ų190123.1 Ų123.189%0.88876%0.757SS**  trans-104.1138.1-158.2178.7176.810400116.6
97G47.1Very low54.2Low65 Ų65119.7 Ų119.767%0.6774%0.737SS**  73.7128.3128.200000123.6
98H39.4Very low55.9Low198 Ų198114.5 Ų114.592%0.91772%0.718SS**  trans-158.4140.1142.7-133.967.1000115.5
99S51Low57.4Low117 Ų117111 Ų11182%0.81870%0.704SS**  trans-128.8129.6172.658.90000111.9
100G53.5Low58.8Low68 Ų68108.4 Ų108.470%0.70169%0.69SS**  trans170.3119.1177.100000114.3
101G55.3Low60.1Low86 Ų86111.6 Ų111.689%0.88769%0.691SS**PPolyproline II helixtrans-76.8151.7-179.600000114.4
102L60.6Low62Low94 Ų94113.5 Ų113.549%0.49268%0.682SS.*PPolyproline II helixtrans-92.1145-164.7-54.1162.8000113.2D106 K110L102-D106 HydrophobicContact CB-CB 4.42Å; L102-K110 HydrophobicContact CD1-CD 4.15Å; L102-K110 VanDerWaalsContact CD2-NZ 3.33Å
103A75.4Confident63.1Low43 Ų43108.7 Ų108.736%0.35567%0.668SS.*PPolyproline II helixtrans-82161.517900000112.9H105 D106 L107A103-H105 PolarHBondContact O-N 3.01Å; A103-D106 VanDerWaalsContact CB-OD2 3.3Å; A103-D106 WeakPolarHBondContact CB-OD2 3.43Å; A103-D106 PolarHBondContact N-OD2 2.79Å; A103-D106 WeakPolarHBondContact O-CB 3.36Å; A103-D106 PolarHBondContact O-N 3.14Å; A103-L107 PolarHBondContact O-N 3.01Å
104P67.6Low64.4Low112 Ų112105 Ų10573%0.72765%0.646SS**Hα-helixtrans-60.2-30.6-178.4-25.435.2000114.5A108P104-A108 PolarHBondContact O-N 2.99Å; P104-A108 VanDerWaalsContact O-N 3.09Å
105H72.6Confident64.9Low150 Ų150106 Ų10669%0.69465%0.646SS**Hα-helixtrans-70.5-38174.4-174.8-83.2000111.8A103 L107 A108 S109A103-H105 PolarHBondContact O-N 3.01Å; H105-L107 VanDerWaalsContact C-N 3.31Å; H105-L107 PolarHBondContact O-N 3.17Å; H105-A108 PolarHBondContact O-N 3.34Å; H105-S109 PolarHBondContact O-N 3.21Å
106D75Confident66.1Low70 Ų70104.2 Ų104.237%0.37465%0.647SS.*Hα-helixtrans-67.1-36175.5-47.3-30.3000110.7L102 A103 K110L102-D106 HydrophobicContact CB-CB 4.42Å; A103-D106 VanDerWaalsContact CB-OD2 3.3Å; A103-D106 WeakPolarHBondContact CB-OD2 3.43Å; A103-D106 PolarHBondContact N-OD2 2.79Å; A103-D106 WeakPolarHBondContact O-CB 3.36Å; A103-D106 PolarHBondContact O-N 3.14Å; D106-K110 VanDerWaalsContact O-CB 3.28Å; D106-K110 WeakPolarHBondContact O-CB 3.4Å; D106-K110 WeakPolarHBondContact O-CG 3.39Å; D106-K110 PolarHBondContact O-N 2.81Å
107L74.7Confident67.1Low91 Ų9198.3 Ų98.348%0.47663%0.63SS.*Hα-helixtrans-65-44.1173.5-72.9169.9000111.9A103 H105 K110 L111A103-L107 PolarHBondContact O-N 3.01Å; H105-L107 VanDerWaalsContact C-N 3.31Å; H105-L107 PolarHBondContact O-N 3.17Å; L107-K110 PolarHBondContact O-N 3.13Å; L107-L111 WeakPolarHBondContact O-CG 3.3Å; L107-L111 PolarHBondContact O-N 2.9Å; L107-L111 VanDerWaalsContact O-N 3.07Å
108A81Confident68Low57 Ų57101.2 Ų101.247%0.47163%0.626SS.*Hα-helixtrans-61-47.3175.600000111.6P104 H105 K110 L111 E112P104-A108 PolarHBondContact O-N 2.99Å; P104-A108 VanDerWaalsContact O-N 3.09Å; H105-A108 PolarHBondContact O-N 3.34Å; A108-K110 VanDerWaalsContact C-N 3.33Å; A108-K110 PolarHBondContact O-N 3.44Å; A108-L111 PolarHBondContact O-N 3.3Å; A108-E112 PolarHBondContact O-N 3.01Å
109S79.3Confident69.2Low66 Ų6695.4 Ų95.446%0.46261%0.606SS.*Hα-helixtrans-65.2-33.6177.6-174.40000112.8H105 A113H105-S109 PolarHBondContact O-N 3.21Å; S109-A113 WeakPolarHBondContact O-CB 3.47Å; S109-A113 PolarHBondContact O-N 2.83Å
110K77.3Confident69.6Low112 Ų11299 Ų9949%0.48760%0.602SS.*Hα-helixtrans-68.3-30.3173.2-79.9178.6-179.3-161.80113.8L102 D106 L107 A108 A114L102-K110 HydrophobicContact CD1-CD 4.15Å; L102-K110 VanDerWaalsContact CD2-NZ 3.33Å; D106-K110 VanDerWaalsContact O-CB 3.28Å; D106-K110 WeakPolarHBondContact O-CB 3.4Å; D106-K110 WeakPolarHBondContact O-CG 3.39Å; D106-K110 PolarHBondContact O-N 2.81Å; L107-K110 PolarHBondContact O-N 3.13Å; A108-K110 VanDerWaalsContact C-N 3.33Å; A108-K110 PolarHBondContact O-N 3.44Å; K110-A114 WeakPolarHBondContact O-CB 3.46Å; K110-A114 PolarHBondContact O-N 3.08Å; K110-A114 VanDerWaalsContact O-N 3.15Å
111L77.7Confident69.7Low131 Ų131103.6 Ų103.669%0.68660%0.603SS**Hα-helixtrans-72.6-44175.8-71.5169.1000111.2L107 A108 A113 A114 E115L107-L111 WeakPolarHBondContact O-CG 3.3Å; L107-L111 PolarHBondContact O-N 2.9Å; L107-L111 VanDerWaalsContact O-N 3.07Å; A108-L111 PolarHBondContact O-N 3.3Å; L111-A113 VanDerWaalsContact C-N 3.35Å; L111-A113 PolarHBondContact O-N 3.43Å; L111-A114 PolarHBondContact O-N 3.14Å; L111-A114 VanDerWaalsContact O-N 3.09Å; L111-E115 PolarHBondContact O-N 3.5Å
112E83.5Confident69.7Low149 Ų149104.3 Ų104.370%0.69659%0.585SS**Hα-helixtrans-63.9-39.1175.4-168.6170.6-149.100111.6A108 A114 E115A108-E112 PolarHBondContact O-N 3.01Å; E112-A114 VanDerWaalsContact C-N 3.26Å; E112-A114 PolarHBondContact O-N 2.87Å; E112-E115 WeakPolarHBondContact O-CB 3.43Å; E112-E115 PolarHBondContact O-N 3.11Å
113A73.5Confident69.6Low80 Ų80106.1 Ų106.166%0.66159%0.588SS**Hα-helixtrans-70.1-17.9173.100000114.3S109 L111S109-A113 WeakPolarHBondContact O-CB 3.47Å; S109-A113 PolarHBondContact O-N 2.83Å; L111-A113 VanDerWaalsContact C-N 3.35Å; L111-A113 PolarHBondContact O-N 3.43Å
114A68.4Low68.7Low53 Ų53110.5 Ų110.544%0.43860%0.602SS.*Hα-helixtrans-88.2-12.7173.900000112.7K110 L111 E112 G116 A117K110-A114 WeakPolarHBondContact O-CB 3.46Å; K110-A114 PolarHBondContact O-N 3.08Å; K110-A114 VanDerWaalsContact O-N 3.15Å; L111-A114 PolarHBondContact O-N 3.14Å; L111-A114 VanDerWaalsContact O-N 3.09Å; E112-A114 VanDerWaalsContact C-N 3.26Å; E112-A114 PolarHBondContact O-N 2.87Å; A114-G116 VanDerWaalsContact C-N 3.3Å; A114-G116 PolarHBondContact O-N 2.9Å; A114-A117 PolarHBondContact O-N 2.68Å
115E67.6Low68Low172 Ų172109.4 Ų109.480%0.80460%0.602SS**THydrogen-bonded Turntrans-74.681.5177-166.9166.9-173.900110.4L111 E112L111-E115 PolarHBondContact O-N 3.5Å; E112-E115 WeakPolarHBondContact O-CB 3.43Å; E112-E115 PolarHBondContact O-N 3.11Å
116G64.6Low67Low85 Ų85109 Ų10988%0.87660%0.6SS**THydrogen-bonded Turntrans130.5-8.1-171.700000113.8A114A114-G116 VanDerWaalsContact C-N 3.3Å; A114-G116 PolarHBondContact O-N 2.9Å
117A64Low65.6Low66 Ų66111.6 Ų111.655%0.54561%0.61SS.*SBendtrans-83.6136.217200000111A114A114-A117 PolarHBondContact O-N 2.68Å
118E66.1Low64.2Low125 Ų125112.4 Ų112.458%0.58462%0.623SS**PPolyproline II helixtrans-69.2138.3-177.9-154.6172.5-166.900111.7M122E118-M122 HydrophobicContact CB-CB 4.47Å; E118-M122 HydrophobicContact CG-CB 3.65Å; E118-M122 HydrophobicContact CG-CG 3.76Å; E118-M122 WeakPolarHBondContact OE1-CG 3.33Å
119P64.8Low62.6Low76 Ų76111 Ų11149%0.49461%0.61SS.*PPolyproline II helixtrans-60.2147.5-175.522.7-35.9000113.1F121 M122P119-F121 HydrophobicContact CB-CD1 4.12Å; P119-F121 HydrophobicContact CB-CE1 4.41Å; P119-F121 HydrophobicContact CG-CD1 3.93Å; P119-F121 HydrophobicContact CG-CE1 3.74Å; P119-F121 PolarHBondContact O-N 2.88Å; P119-M122 HydrophobicContact CG-CG 4.46Å; P119-M122 WeakPolarHBondContact O-CB 3.45Å; P119-M122 PolarHBondContact O-N 3.48Å
120R59.4Low60.9Low192 Ų192114.3 Ų114.373%0.72562%0.618SS**THydrogen-bonded Turntrans-50.4-20.7-173.2-76.6-174.3173.4-115.30.9116.6M122 K123 E127R120-M122 VanDerWaalsContact C-N 3.32Å; R120-K123 PolarHBondContact O-N 3.31Å; R120-E127 IonicContact CZ-OE2 3.41Å; R120-E127 IonicContact NH1-OE2 3.15Å; R120-E127 PolarHBondContact NH1-OE2 3.37Å
121F55.5Low59.2Low165 Ų165118 Ų11872%0.72464%0.637SS**THydrogen-bonded Turntrans-75.3-20.6176.391.8-91.3000113.7P119P119-F121 HydrophobicContact CB-CD1 4.12Å; P119-F121 HydrophobicContact CB-CE1 4.41Å; P119-F121 HydrophobicContact CG-CD1 3.93Å; P119-F121 HydrophobicContact CG-CE1 3.74Å; P119-F121 PolarHBondContact O-N 2.88Å
122M55.4Low57.7Low102 Ų102118.1 Ų118.150%0.50263%0.634SS.*THydrogen-bonded Turntrans-86.7-15.7173.9-66-72.1-145.100112.2E118 P119 R120E118-M122 HydrophobicContact CB-CB 4.47Å; E118-M122 HydrophobicContact CG-CB 3.65Å; E118-M122 HydrophobicContact CG-CG 3.76Å; E118-M122 WeakPolarHBondContact OE1-CG 3.33Å; P119-M122 HydrophobicContact CG-CG 4.46Å; P119-M122 WeakPolarHBondContact O-CB 3.45Å; P119-M122 PolarHBondContact O-N 3.48Å; R120-M122 VanDerWaalsContact C-N 3.32Å
123K57.4Low56Low131 Ų131112.3 Ų112.357%0.5761%0.607SS**SBendtrans-72.4128.7164.2-70.5-173.1171-169.80107.9R120R120-K123 PolarHBondContact O-N 3.31Å
124E58.3Low54.9Low136 Ų136117.2 Ų117.264%0.63662%0.616SS**  trans-53.2142.8173.6-65.6-164.2-168.500109.9E126 K152E124-E126 HydrophobicContact CB-CG 4.39Å; E124-E126 PolarHBondContact O-N 3.34Å; E124-K152 IonicContact OE2-NZ 2.81Å; E124-K152 PolarHBondContact OE2-NZ 3.2Å
125A52.2Low54.2Low89 Ų89123.9 Ų123.974%0.73664%0.639SS**THydrogen-bonded Turntrans-77.546.9-164.800000114
126E52.3Low53.8Low142 Ų142118.8 Ų118.866%0.66462%0.616SS**THydrogen-bonded Turntrans-75.4-41.7-177.4-52.9-145.2141.800111.4E124 S128 S129E124-E126 HydrophobicContact CB-CG 4.39Å; E124-E126 PolarHBondContact O-N 3.34Å; E126-S128 PolarHBondContact O-N 2.85Å; E126-S128 VanDerWaalsContact O-N 3.11Å; E126-S129 PolarHBondContact O-N 3.41Å
127E43.7Very low54.4Low123 Ų123118.7 Ų118.758%0.57560%0.599SS**THydrogen-bonded Turntrans-62.7-20.4-178.5-66.8-178.6-174.600114.3R120R120-E127 IonicContact CZ-OE2 3.41Å; R120-E127 IonicContact NH1-OE2 3.15Å; R120-E127 PolarHBondContact NH1-OE2 3.37Å
128S45.9Very low55.1Low108 Ų108120.4 Ų120.476%0.75560%0.604SS**THydrogen-bonded Turntrans-88-8.8-176.4-169.90000114.2E126E126-S128 PolarHBondContact O-N 2.85Å; E126-S128 VanDerWaalsContact O-N 3.11Å
129S47.4Very low55.5Low27 Ų27121 Ų12119%0.18961%0.607CS.*SBendtrans-91.1-11.9176.1-172.90000112.5E126E126-S129 PolarHBondContact O-N 3.41Å
130E43.5Very low56.2Low137 Ų137120 Ų12064%0.6460%0.6SS**SBendtrans-77.3-40.1-166.6-147.5164.4138.200112.7E132 E133E130-E132 PolarHBondContact O-N 2.91Å; E130-E132 VanDerWaalsContact O-N 3.17Å; E130-E133 PolarHBondContact O-N 3.39Å
131E41.4Very low57.2Low188 Ų188113.1 Ų113.188%0.87958%0.576SS**THydrogen-bonded Turntrans-64.3-17.8176.3-76.5-173.2151.400113.9
132E47.7Very low58.7Low135 Ų135108 Ų10863%0.63156%0.564SS**THydrogen-bonded Turntrans-92.2-6.5173-85.2-167.4174.600113.9E130 K144E130-E132 PolarHBondContact O-N 2.91Å; E130-E132 VanDerWaalsContact O-N 3.17Å; E132-K144 IonicContact OE2-NZ 2.77Å; E132-K144 PolarHBondContact OE2-NZ 3.48Å
133E47.1Very low60.1Low26 Ų26107.2 Ų107.212%0.12156%0.558CS.*THydrogen-bonded Turntrans-84.1-27.5-178.8-73.6-165.9173.300113.4E130 E135 L136 Q141 K145E130-E133 PolarHBondContact O-N 3.39Å; E133-E135 VanDerWaalsContact C-N 3.29Å; E133-E135 PolarHBondContact O-N 3.5Å; E133-E135 VanDerWaalsContact O-N 3.17Å; E133-L136 PolarHBondContact O-N 2.93Å; E133-L136 VanDerWaalsContact O-N 3.14Å; E133-Q141 HydrophobicContact CB-CG 4.48Å; E133-Q141 PolarHBondContact O-NE2 2.79Å; E133-K145 WeakPolarHBondContact OE1-CE 2.86Å; E133-K145 IonicContact OE1-NZ 2.79Å; E133-K145 WeakPolarHBondContact OE2-CE 3.39Å; E133-K145 IonicContact OE2-NZ 3.56Å; E133-K145 PolarHBondContact OE2-NZ 3.29Å
134E49.6Very low61.5Low183 Ų183103.2 Ų103.286%0.85554%0.54SS*.THydrogen-bonded Turntrans-61.2-26.7-171.9-71.2-164.7140.800115.3
135E54.6Low63.1Low194 Ų194101.9 Ų101.991%0.90753%0.532SS*.THydrogen-bonded Turntrans-96.3-3.9179.5-65.8-165.215900114.4E133E133-E135 VanDerWaalsContact C-N 3.29Å; E133-E135 PolarHBondContact O-N 3.5Å; E133-E135 VanDerWaalsContact O-N 3.17Å
136L59.5Low65Low65 Ų65102.9 Ų102.934%0.3452%0.522SS..SBendtrans-93.4143.3-176.6-72169.3000112.3E133 V140 Q141 K144E133-L136 PolarHBondContact O-N 2.93Å; E133-L136 VanDerWaalsContact O-N 3.14Å; L136-V140 HydrophobicContact CD2-CG1 3.94Å; L136-Q141 HydrophobicContact CB-CG 3.89Å; L136-Q141 PolarHBondContact O-NE2 3.45Å; L136-K144 HydrophobicContact CD1-CD 4.27Å
137T76.3Confident66.9Low83 Ų83102.4 Ų102.451%0.50952%0.517SS..  trans-63.3146.3172.664.70000110.4Q139 V140 Q141T137-Q139 PolarHBondContact O-N 2.88Å; T137-Q139 VanDerWaalsContact O-N 3.08Å; T137-V140 PolarHBondContact O-N 2.96Å; T137-V140 WeakPolarHBondContact OG1-CG2 3.23Å; T137-Q141 PolarHBondContact O-N 3.43Å
138P78.3Confident69.2Low101 Ų10199.6 Ų99.666%0.65650%0.504SS*.Hα-helixtrans-59.3-28.8-174.520.7-33.2000113.1A142P138-A142 WeakPolarHBondContact O-CB 3.44Å; P138-A142 PolarHBondContact O-N 2.88Å
139Q75.1Confident71.6Confident137 Ų13799.5 Ų99.564%0.6449%0.493SS*.Hα-helixtrans-68.2-36.6174.2-165.5-177.419.800112.6T137 K143T137-Q139 PolarHBondContact O-N 2.88Å; T137-Q139 VanDerWaalsContact O-N 3.08Å; Q139-K143 WeakPolarHBondContact O-CG 3.48Å; Q139-K143 PolarHBondContact O-N 2.89Å; Q139-K143 VanDerWaalsContact O-N 3.14Å
140V79.2Confident73.9Confident56 Ų56103.1 Ų103.134%0.33951%0.509SS..Hα-helixtrans-76.2-36.5176.7177.80000110.9L136 T137 A142 K143 K144L136-V140 HydrophobicContact CD2-CG1 3.94Å; T137-V140 PolarHBondContact O-N 2.96Å; T137-V140 WeakPolarHBondContact OG1-CG2 3.23Å; V140-A142 PolarHBondContact O-N 3.29Å; V140-K143 PolarHBondContact O-N 3.33Å; V140-K144 WeakPolarHBondContact O-CB 3.4Å; V140-K144 PolarHBondContact O-N 3.2Å
141Q80.9Confident76.4Confident47 Ų47102.6 Ų102.622%0.2250%0.501CS..Hα-helixtrans-57.4-47.6169.9-66.1175.5-4.200111.3E133 L136 T137 K143 K144 K145E133-Q141 HydrophobicContact CB-CG 4.48Å; E133-Q141 PolarHBondContact O-NE2 2.79Å; L136-Q141 HydrophobicContact CB-CG 3.89Å; L136-Q141 PolarHBondContact O-NE2 3.45Å; T137-Q141 PolarHBondContact O-N 3.43Å; Q141-K143 PolarHBondContact O-N 3.09Å; Q141-K144 WeakPolarHBondContact O-CB 3.02Å; Q141-K144 PolarHBondContact O-N 3.27Å; Q141-K144 VanDerWaalsContact O-N 3.13Å; Q141-K145 WeakPolarHBondContact O-CG 3.42Å; Q141-K145 PolarHBondContact O-N 2.93Å
142A86.3Confident78.9Confident58 Ų58100.1 Ų100.148%0.47949%0.487SS..Hα-helixtrans-59.9-43.4176.800000112.4P138 V140 K145 H146P138-A142 WeakPolarHBondContact O-CB 3.44Å; P138-A142 PolarHBondContact O-N 2.88Å; V140-A142 PolarHBondContact O-N 3.29Å; A142-K145 PolarHBondContact O-N 2.84Å; A142-H146 WeakPolarHBondContact O-CB 3.2Å; A142-H146 PolarHBondContact O-N 3.32Å
143K85.6Confident81.1Confident85 Ų85100.4 Ų100.437%0.3749%0.49SS..Hα-helixtrans-60.5-43.8171.8-71.9176.1-179178.40112D65 Q139 V140 Q141 H146 F147D65-K143 IonicContact OD2-NZ 2.92Å; D65-K143 PolarHBondContact OD2-NZ 3Å; Q139-K143 WeakPolarHBondContact O-CG 3.48Å; Q139-K143 PolarHBondContact O-N 2.89Å; Q139-K143 VanDerWaalsContact O-N 3.14Å; V140-K143 PolarHBondContact O-N 3.33Å; Q141-K143 PolarHBondContact O-N 3.09Å; K143-H146 PolarHBondContact O-N 3.01Å; K143-F147 WeakPolarHBondContact O-CB 3.28Å; K143-F147 PolarHBondContact O-N 3.5Å
144K85.6Confident83.4Confident48 Ų48105.2 Ų105.221%0.20951%0.512CS..Hα-helixtrans-60-47.7177.3-168.3-177.8-175.2179.40110.1E132 L136 V140 Q141 F147 Q148E132-K144 IonicContact OE2-NZ 2.77Å; E132-K144 PolarHBondContact OE2-NZ 3.48Å; L136-K144 HydrophobicContact CD1-CD 4.27Å; V140-K144 WeakPolarHBondContact O-CB 3.4Å; V140-K144 PolarHBondContact O-N 3.2Å; Q141-K144 WeakPolarHBondContact O-CB 3.02Å; Q141-K144 PolarHBondContact O-N 3.27Å; Q141-K144 VanDerWaalsContact O-N 3.13Å; K144-F147 PolarHBondContact O-N 3.13Å; K144-Q148 VanDerWaalsContact O-CG 3.3Å; K144-Q148 WeakPolarHBondContact O-CG 3.45Å; K144-Q148 PolarHBondContact O-N 3.18Å
145K91.9Very high85.6Confident107 Ų107103.5 Ų103.547%0.46550%0.499SS..Hα-helixtrans-63.1-45.5177.7-70.3177.5-175.7178.30112.2E133 Q141 A142 Q148 M149E133-K145 WeakPolarHBondContact OE1-CE 2.86Å; E133-K145 IonicContact OE1-NZ 2.79Å; E133-K145 WeakPolarHBondContact OE2-CE 3.39Å; E133-K145 IonicContact OE2-NZ 3.56Å; E133-K145 PolarHBondContact OE2-NZ 3.29Å; Q141-K145 WeakPolarHBondContact O-CG 3.42Å; Q141-K145 PolarHBondContact O-N 2.93Å; A142-K145 PolarHBondContact O-N 2.84Å; K145-Q148 PolarHBondContact O-N 2.77Å; K145-M149 PolarHBondContact O-N 2.87Å
146H92.4Very high87.5Confident111 Ų11198.3 Ų98.351%0.51448%0.477SS..Hα-helixtrans-62.4-43.8175.6-176.374.6000112.4A142 K143 Q148 M149 M150A142-H146 WeakPolarHBondContact O-CB 3.2Å; A142-H146 PolarHBondContact O-N 3.32Å; K143-H146 PolarHBondContact O-N 3.01Å; H146-Q148 PolarHBondContact O-N 3.38Å; H146-M149 PolarHBondContact O-N 2.97Å; H146-M150 WeakPolarHBondContact O-CG 3.43Å; H146-M150 PolarHBondContact O-N 2.9Å
147F92.9Very high89Confident131 Ų13199.8 Ų99.858%0.57548%0.483SS*.Hα-helixtrans-62.8-41.5174.9175.9-99.6000112.3K143 K144 M149 M150 R151K143-F147 WeakPolarHBondContact O-CB 3.28Å; K143-F147 PolarHBondContact O-N 3.5Å; K144-F147 PolarHBondContact O-N 3.13Å; F147-M149 VanDerWaalsContact C-N 3.34Å; F147-M149 PolarHBondContact O-N 2.89Å; F147-M150 PolarHBondContact O-N 3.2Å; F147-R151 VanDerWaalsContact O-CB 3.23Å; F147-R151 WeakPolarHBondContact O-CB 3.4Å; F147-R151 PolarHBondContact O-N 3.49Å
148Q92.8Very high89.7Confident64 Ų6499.4 Ų99.430%0.29949%0.488SS..Hα-helixtrans-61.1-42.4175.1-74.1-174.542.700111.9K144 K145 H146 R151 K152K144-Q148 VanDerWaalsContact O-CG 3.3Å; K144-Q148 WeakPolarHBondContact O-CG 3.45Å; K144-Q148 PolarHBondContact O-N 3.18Å; K145-Q148 PolarHBondContact O-N 2.77Å; H146-Q148 PolarHBondContact O-N 3.38Å; Q148-R151 PolarHBondContact O-N 3.09Å; Q148-K152 WeakPolarHBondContact O-CB 3.3Å; Q148-K152 PolarHBondContact O-N 3.36Å
149M94.5Very high90.1Very high106 Ų106101.5 Ų101.552%0.52249%0.491SS..Hα-helixtrans-62.4-50.1175.1-175.1-174.175.500111.6K145 H146 F147 R151 K152 M153K145-M149 PolarHBondContact O-N 2.87Å; H146-M149 PolarHBondContact O-N 2.97Å; F147-M149 VanDerWaalsContact C-N 3.34Å; F147-M149 PolarHBondContact O-N 2.89Å; M149-R151 VanDerWaalsContact C-N 3.27Å; M149-R151 PolarHBondContact O-N 3.15Å; M149-K152 PolarHBondContact O-N 3.03Å; M149-K152 VanDerWaalsContact O-N 3.13Å; M149-M153 WeakPolarHBondContact O-CG 3.22Å; M149-M153 PolarHBondContact O-N 3.19Å
150M95.6Very high90.7Very high104 Ų10499.2 Ų99.251%0.51248%0.483SS..Hα-helixtrans-59-39.2176.2-72-59.5-62.900111.9H146 F147 M153 H154H146-M150 WeakPolarHBondContact O-CG 3.43Å; H146-M150 PolarHBondContact O-N 2.9Å; F147-M150 PolarHBondContact O-N 3.2Å; M150-M153 PolarHBondContact O-N 3.07Å; M150-H154 WeakPolarHBondContact O-CB 3.42Å; M150-H154 PolarHBondContact O-N 3.42Å
151R95.9Very high91.3Very high125 Ų125100.6 Ų100.647%0.47249%0.487SS..Hα-helixtrans-66-40.4174.8-172.6-178.666.9178-1.1112.5F147 Q148 M149 M153 H154 Y155F147-R151 VanDerWaalsContact O-CB 3.23Å; F147-R151 WeakPolarHBondContact O-CB 3.4Å; F147-R151 PolarHBondContact O-N 3.49Å; Q148-R151 PolarHBondContact O-N 3.09Å; M149-R151 VanDerWaalsContact C-N 3.27Å; M149-R151 PolarHBondContact O-N 3.15Å; R151-M153 VanDerWaalsContact C-N 3.3Å; R151-H154 PolarHBondContact O-N 3.34Å; R151-Y155 HydrophobicContact CG-CD2 3.7Å; R151-Y155 HydrophobicContact CG-CE2 3.7Å; R151-Y155 WeakPolarHBondContact O-CD2 3.48Å; R151-Y155 PolarHBondContact O-N 2.99Å
152K95.4Very high91.7Very high136 Ų136107 Ų10759%0.59151%0.51SS*.Hα-helixtrans-63.7-36.3175.3-171.9172.1-172.7168.10111.2E124 Q148 M149E124-K152 IonicContact OE2-NZ 2.81Å; E124-K152 PolarHBondContact OE2-NZ 3.2Å; Q148-K152 WeakPolarHBondContact O-CB 3.3Å; Q148-K152 PolarHBondContact O-N 3.36Å; M149-K152 PolarHBondContact O-N 3.03Å; M149-K152 VanDerWaalsContact O-N 3.13Å
153M93.6Very high92Very high141 Ų141108.6 Ų108.670%0.69551%0.51SS*.Hα-helixtrans-77.1-27175.4-67-57.4-56.600114M149 M150 R151M149-M153 WeakPolarHBondContact O-CG 3.22Å; M149-M153 PolarHBondContact O-N 3.19Å; M150-M153 PolarHBondContact O-N 3.07Å; R151-M153 VanDerWaalsContact C-N 3.3Å
154H95.9Very high92.4Very high128 Ų128106.6 Ų106.659%0.59351%0.509SS*.Hα-helixtrans-79.8-38-177.1-179.638.3000113.7M150 R151 D156M150-H154 WeakPolarHBondContact O-CB 3.42Å; M150-H154 PolarHBondContact O-N 3.42Å; R151-H154 PolarHBondContact O-N 3.34Å; H154-D156 PolarHBondContact O-N 3.01Å
155Y95.3Very high92.8Very high147 Ų147112.7 Ų112.758%0.57653%0.53SS*.  trans-90.170.3-177.6-70.1-63.6000111.6R151 E157R151-Y155 HydrophobicContact CG-CD2 3.7Å; R151-Y155 HydrophobicContact CG-CE2 3.7Å; R151-Y155 WeakPolarHBondContact O-CD2 3.48Å; R151-Y155 PolarHBondContact O-N 2.99Å; Y155-E157 VanDerWaalsContact C-OE2 3.24Å; Y155-E157 WeakPolarHBondContact CA-OE2 3.36Å; Y155-E157 WeakPolarHBondContact CD1-OE1 3.36Å
156D93.4Very high92.9Very high84 Ų84113.7 Ų113.745%0.44954%0.537SS..  trans-97.73.9-179.675.2-9000114H154 A158 M159H154-D156 PolarHBondContact O-N 3.01Å; D156-A158 PolarHBondContact O-N 3.38Å; D156-M159 PolarHBondContact O-N 3.07Å
157E91.7Very high92.9Very high97 Ų97113.4 Ų113.445%0.45354%0.539SS..Hα-helixtrans-60.4-22.9-163.8-55.699.3137.400113.2Y155 M159 N160 I161Y155-E157 VanDerWaalsContact C-OE2 3.24Å; Y155-E157 WeakPolarHBondContact CA-OE2 3.36Å; Y155-E157 WeakPolarHBondContact CD1-OE1 3.36Å; E157-M159 PolarHBondContact O-N 3.22Å; E157-N160 CarbonylContact O-C 3.58Å; E157-N160 WeakPolarHBondContact O-CA 3.3Å; E157-N160 PolarHBondContact O-N 3.01Å; E157-I161 WeakPolarHBondContact O-CG1 3.34Å; E157-I161 PolarHBondContact O-N 2.95Å
158A90.3Very high93Very high74 Ų74111.6 Ų111.661%0.61253%0.534SS*.Hα-helixtrans-55.7-30.3173.800000113.9D156D156-A158 PolarHBondContact O-N 3.38Å
159M86.7Confident93Very high146 Ų146111.3 Ų111.372%0.71954%0.542SS*.Hα-helixtrans-68.5-43.3173.2-61.7-171.373.900110.7D156 E157 I161D156-M159 PolarHBondContact O-N 3.07Å; E157-M159 PolarHBondContact O-N 3.22Å; M159-I161 PolarHBondContact O-N 2.86Å
160N87.6Confident92.9Very high89 Ų89111.9 Ų111.948%0.47654%0.542SS..Hα-helixtrans-74.2-23.6-178.1-63.4-34.9000113.3E157 R162 L163 A164E157-N160 CarbonylContact O-C 3.58Å; E157-N160 WeakPolarHBondContact O-CA 3.3Å; E157-N160 PolarHBondContact O-N 3.01Å; N160-R162 PolarHBondContact O-N 3.35Å; N160-L163 PolarHBondContact O-N 3.23Å; N160-A164 VanDerWaalsContact O-CB 3.29Å; N160-A164 WeakPolarHBondContact O-CB 3.49Å; N160-A164 PolarHBondContact O-N 3.49Å
161I93.6Very high92.6Very high85 Ų85113.7 Ų113.744%0.43655%0.549SS..Hα-helixtrans-57.2-33.8175.9-72.9173.3000112.6E157 M159 R165E157-I161 WeakPolarHBondContact O-CG1 3.34Å; E157-I161 PolarHBondContact O-N 2.95Å; M159-I161 PolarHBondContact O-N 2.86Å; I161-R165 WeakPolarHBondContact O-CD 3.42Å; I161-R165 VanDerWaalsContact O-CG 3.26Å; I161-R165 WeakPolarHBondContact O-CG 3.17Å; I161-R165 PolarHBondContact O-N 2.92Å
162R89.6Confident92.2Very high182 Ų182113.3 Ų113.369%0.68756%0.556SS**Hα-helixtrans-70.8-53.5178.5-67.7-176.6-176.8147.32.3111.2N160 A164 R165 E166N160-R162 PolarHBondContact O-N 3.35Å; R162-A164 VanDerWaalsContact C-N 3.3Å; R162-A164 PolarHBondContact O-N 2.98Å; R162-R165 WeakPolarHBondContact O-CB 3.29Å; R162-R165 PolarHBondContact O-N 3.22Å; R162-R165 VanDerWaalsContact O-N 3.07Å; R162-E166 PolarHBondContact O-N 3.48Å; R162-E166 VanDerWaalsContact O-N 3.08Å
163L91.9Very high91.6Very high91 Ų91113.7 Ų113.748%0.47656%0.56SS.*Hα-helixtrans-58.3-42.1177.3179.760.8000111.7N160 R165 E166 L167N160-L163 PolarHBondContact O-N 3.23Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.88Å; L163-E166 PolarHBondContact O-N 3.34Å; L163-L167 HydrophobicContact CD1-CD1 4.25Å; L163-L167 HydrophobicContact CD1-CG 4.17Å; L163-L167 HydrophobicContact CG-CD1 3.99Å; L163-L167 HydrophobicContact CG-CG 4.37Å; L163-L167 WeakPolarHBondContact O-CB 3.26Å; L163-L167 WeakPolarHBondContact O-CG 3.49Å; L163-L167 PolarHBondContact O-N 3.11Å
164A93.3Very high90.2Very high43 Ų43111.4 Ų111.436%0.35555%0.55SS.*Hα-helixtrans-61.4-37.6176.500000112.6N160 R162 I168N160-A164 VanDerWaalsContact O-CB 3.29Å; N160-A164 WeakPolarHBondContact O-CB 3.49Å; N160-A164 PolarHBondContact O-N 3.49Å; R162-A164 VanDerWaalsContact C-N 3.3Å; R162-A164 PolarHBondContact O-N 2.98Å; A164-I168 WeakPolarHBondContact O-CB 3.47Å; A164-I168 WeakPolarHBondContact O-CD1 3.33Å; A164-I168 WeakPolarHBondContact O-CG1 3.4Å; A164-I168 PolarHBondContact O-N 3.22Å
165R94.2Very high88.5Confident175 Ų175111.8 Ų111.866%0.6656%0.557SS**Hα-helixtrans-66.9-40.1174.5-73.8168.6-178.4-178.22.2112.3I161 R162 L163 A169I161-R165 WeakPolarHBondContact O-CD 3.42Å; I161-R165 VanDerWaalsContact O-CG 3.26Å; I161-R165 WeakPolarHBondContact O-CG 3.17Å; I161-R165 PolarHBondContact O-N 2.92Å; R162-R165 WeakPolarHBondContact O-CB 3.29Å; R162-R165 PolarHBondContact O-N 3.22Å; R162-R165 VanDerWaalsContact O-N 3.07Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.88Å; R165-A169 VanDerWaalsContact O-CB 3.29Å; R165-A169 WeakPolarHBondContact O-CB 3.5Å; R165-A169 PolarHBondContact O-N 3.15Å
166E93.8Very high86.6Confident129 Ų129111.6 Ų111.660%0.60357%0.566SS**Hα-helixtrans-66.9-42.9177.7-71165.3-158.700111.3R162 L163 A169 K170R162-E166 PolarHBondContact O-N 3.48Å; R162-E166 VanDerWaalsContact O-N 3.08Å; L163-E166 PolarHBondContact O-N 3.34Å; E166-A169 PolarHBondContact O-N 2.98Å; E166-K170 PolarHBondContact O-N 3.35Å
167L93.8Very high84.8Confident105 Ų105113.2 Ų113.255%0.5557%0.574SS.*Hα-helixtrans-63.4-44.6175.3-69.6172.6000112.2L163 K170 E171L163-L167 HydrophobicContact CD1-CD1 4.25Å; L163-L167 HydrophobicContact CD1-CG 4.17Å; L163-L167 HydrophobicContact CG-CD1 3.99Å; L163-L167 HydrophobicContact CG-CG 4.37Å; L163-L167 WeakPolarHBondContact O-CB 3.26Å; L163-L167 WeakPolarHBondContact O-CG 3.49Å; L163-L167 PolarHBondContact O-N 3.11Å; L167-K170 PolarHBondContact O-N 3.42Å; L167-E171 WeakPolarHBondContact O-CB 3.29Å; L167-E171 PolarHBondContact O-N 3.2Å
168I93.1Very high82.8Confident93 Ų93115.8 Ų115.848%0.47759%0.591SS.*Hα-helixtrans-65-39.2175.9-68.5164000111.2A164 K170 E171 L172A164-I168 WeakPolarHBondContact O-CB 3.47Å; A164-I168 WeakPolarHBondContact O-CD1 3.33Å; A164-I168 WeakPolarHBondContact O-CG1 3.4Å; A164-I168 PolarHBondContact O-N 3.22Å; I168-K170 VanDerWaalsContact C-N 3.33Å; I168-E171 PolarHBondContact O-N 3.08Å; I168-L172 HydrophobicContact CG2-CD1 4Å; I168-L172 VanDerWaalsContact O-CG 3.3Å; I168-L172 WeakPolarHBondContact O-CG 3.43Å; I168-L172 PolarHBondContact O-N 3.35Å; I168-L172 VanDerWaalsContact O-N 3.15Å
169A94.1Very high81Confident57 Ų57121 Ų12147%0.47160%0.603SS.*Hα-helixtrans-62.5-42.9176.800000111.2R165 E166 L172 E173R165-A169 VanDerWaalsContact O-CB 3.29Å; R165-A169 WeakPolarHBondContact O-CB 3.5Å; R165-A169 PolarHBondContact O-N 3.15Å; E166-A169 PolarHBondContact O-N 2.98Å; A169-L172 PolarHBondContact O-N 2.94Å; A169-E173 WeakPolarHBondContact O-CB 3.47Å; A169-E173 PolarHBondContact O-N 3.44Å; A169-E173 VanDerWaalsContact O-N 3.11Å
170K90.9Very high79.3Confident119 Ų119122.1 Ų122.152%0.51761%0.606SS.*Hα-helixtrans-67.3-44.6176-179.8170.3177.1171.40112.9E166 L167 I168 L172 E173 D174E166-K170 PolarHBondContact O-N 3.35Å; L167-K170 PolarHBondContact O-N 3.42Å; I168-K170 VanDerWaalsContact C-N 3.33Å; K170-L172 PolarHBondContact O-N 2.93Å; K170-E173 PolarHBondContact O-N 2.88Å; K170-D174 WeakPolarHBondContact CE-OD2 2.98Å; K170-D174 PolarHBondContact O-N 3.21Å
171E89.9Confident77.4Confident142 Ų142126.6 Ų126.666%0.66463%0.627SS**Hα-helixtrans-57.8-30.3177.1-174.8178-176.400112L167 I168L167-E171 WeakPolarHBondContact O-CB 3.29Å; L167-E171 PolarHBondContact O-N 3.2Å; I168-E171 PolarHBondContact O-N 3.08Å
172L88.2Confident75.3Confident117 Ų117133 Ų13361%0.61365%0.645SS**Hα-helixtrans-85.6-20.7175.2-67.7171000114.4I168 A169 K170I168-L172 HydrophobicContact CG2-CD1 4Å; I168-L172 VanDerWaalsContact O-CG 3.3Å; I168-L172 WeakPolarHBondContact O-CG 3.43Å; I168-L172 PolarHBondContact O-N 3.35Å; I168-L172 VanDerWaalsContact O-N 3.15Å; A169-L172 PolarHBondContact O-N 2.94Å; K170-L172 PolarHBondContact O-N 2.93Å
173E82.3Confident73.1Confident143 Ų143131.4 Ų131.467%0.66865%0.651SS**Hα-helixtrans-86.3-38.1178.9-168.3167.7-136.900110.9A169 K170 D175 D176A169-E173 WeakPolarHBondContact O-CB 3.47Å; A169-E173 PolarHBondContact O-N 3.44Å; A169-E173 VanDerWaalsContact O-N 3.11Å; K170-E173 PolarHBondContact O-N 2.88Å; E173-D175 PolarHBondContact O-N 2.93Å; E173-D176 PolarHBondContact O-N 3.01Å
174D65Low71.3Confident94 Ų94134.8 Ų134.850%0.50367%0.669SS.*THydrogen-bonded Turntrans-64.8-17.4175.4-71.2-23.3000112.8K170K170-D174 WeakPolarHBondContact CE-OD2 2.98Å; K170-D174 PolarHBondContact O-N 3.21Å
175D58.9Low69.4Low135 Ų135137.7 Ų137.772%0.72268%0.683SS**THydrogen-bonded Turntrans-85.5-17178.7-108.79.8000113.7E173E173-D175 PolarHBondContact O-N 2.93Å
176D57.2Low67.3Low143 Ų143138.2 Ų138.277%0.76569%0.692SS**THydrogen-bonded Turntrans-93.1-11.4178.5-90.6-22.8000112.8E173E173-D176 PolarHBondContact O-N 3.01Å
177D54.6Low65.1Low118 Ų118136.7 Ų136.763%0.63169%0.688SS**  trans-90.14.9-173.9-109.85.9000114.5E179D177-E179 VanDerWaalsContact C-N 3.34Å; D177-E179 PolarHBondContact O-N 3.19Å
178D50.7Low63.2Low151 Ų151138 Ų13881%0.80770%0.704SS**THydrogen-bonded Turntrans-88.712.1-177-123.215.7000113.9
179E51.9Low61.4Low185 Ų185142.2 Ų142.286%0.86471%0.713SS**THydrogen-bonded Turntrans-106.9-3.9174-80.1-156.5178.900116D177 M181D177-E179 VanDerWaalsContact C-N 3.34Å; D177-E179 PolarHBondContact O-N 3.19Å; E179-M181 PolarHBondContact O-N 3.14Å
180E50.7Low59.2Low168 Ų168147.5 Ų147.579%0.78573%0.734SS**  trans-90.498.4172.9-70.2-139.9159.300113.3R182E180-R182 WeakPolarHBondContact O-CG 3.48Å; E180-R182 PolarHBondContact O-N 3.27Å
181M46.6Very low56.9Low184 Ų184149.1 Ų149.191%0.90675%0.748SS**  trans-54.297.4166.6-73.2-83.5-68.900111.4E179 D183E179-M181 PolarHBondContact O-N 3.14Å; M181-D183 PolarHBondContact O-N 2.91Å; M181-D183 VanDerWaalsContact O-N 3.07Å
182R50.8Low55.2Low219 Ų219148.9 Ų148.983%0.82676%0.756SS**  trans-68.1101.7173.7-40.5179.7-156.7-129.7-4108.4E180 D184E180-R182 WeakPolarHBondContact O-CG 3.48Å; E180-R182 PolarHBondContact O-N 3.27Å; R182-D184 PolarHBondContact O-N 3.09Å
183D43.7Very low53.5Low149 Ų149151.6 Ų151.680%0.79777%0.766SS**  trans-65.1130.3178.4-163.511.7000110.1M181 T185M181-D183 PolarHBondContact O-N 2.91Å; M181-D183 VanDerWaalsContact O-N 3.07Å; D183-T185 VanDerWaalsContact C-N 3.25Å; D183-T185 PolarHBondContact O-N 3.35Å
184D52.7Low52Low162 Ų162152.5 Ų152.587%0.86677%0.77SS**  trans-88.757.1-161.3-160.19.1000111.5R182R182-D184 PolarHBondContact O-N 3.09Å
185T55.3Low50.9Low104 Ų104154.9 Ų154.964%0.63879%0.788SS**  trans-154.8128.7172-32.10000105.9D183D183-T185 VanDerWaalsContact C-N 3.25Å; D183-T185 PolarHBondContact O-N 3.35Å
186E49.3Very low50.6Low185 Ų185156.1 Ų156.186%0.86479%0.789SS**SBendcis-151.815544.9-32.6-162.2133.800114.1
187D46.7Very low50.2Low97 Ų97157.5 Ų157.552%0.51979%0.791SS.*  trans12.3115170.4-141.2-26.4000122.4R189D187-R189 VanDerWaalsContact C-N 3.29Å; D187-R189 PolarHBondContact O-N 3.44Å; D187-R189 IonicContact OD1-CZ 2.78Å; D187-R189 IonicContact OD1-NE 3.56Å; D187-R189 PolarHBondContact OD1-NE 3.1Å; D187-R189 IonicContact OD1-NH2 3.55Å; D187-R189 PolarHBondContact OD1-NH2 2.94Å; D187-R189 VanDerWaalsContact OD1-NH2 3.15Å; D187-R189 IonicContact OD2-CZ 2.88Å; D187-R189 IonicContact OD2-NE 2.68Å; D187-R189 IonicContact OD2-NH2 3.89Å; D187-R189 PolarHBondContact OD2-NH2 3.1Å
188P55.2Low49.6Very low134 Ų134159 Ų15987%0.8780%0.798SS**  trans-85.753.3176.437.7-37.4000113.3
189R54.7Low49.6Very low180 Ų180156.8 Ų156.868%0.67979%0.79SS**  trans-136.686.3-179.2-75.7-178-75.4-175.8-0.4112D187D187-R189 VanDerWaalsContact C-N 3.29Å; D187-R189 PolarHBondContact O-N 3.44Å; D187-R189 IonicContact OD1-CZ 2.78Å; D187-R189 IonicContact OD1-NE 3.56Å; D187-R189 PolarHBondContact OD1-NE 3.1Å; D187-R189 IonicContact OD1-NH2 3.55Å; D187-R189 PolarHBondContact OD1-NH2 2.94Å; D187-R189 VanDerWaalsContact OD1-NH2 3.15Å; D187-R189 IonicContact OD2-CZ 2.88Å; D187-R189 IonicContact OD2-NE 2.68Å; D187-R189 IonicContact OD2-NH2 3.89Å; D187-R189 PolarHBondContact OD2-NH2 3.1Å
190D47.9Very low49.5Very low168 Ų168153.6 Ų153.690%0.89878%0.783SS**SBendtrans162.372143-82.4-15.4000110.6
191N43.2Very low49.6Very low154 Ų154151.4 Ų151.482%0.82478%0.776SS**  trans-157.279149.9-149.12.2000111.6
192V54.3Low50.2Low137 Ų137146.6 Ų146.683%0.8376%0.759SS**  trans-107.1147.3160.6140.40000106.2
193E51.6Low50.1Low174 Ų174142.2 Ų142.281%0.81376%0.759SS**  trans84.2125-158.8-55.3179.4-178.800110.9
194E51.5Low50.1Low161 Ų161143.1 Ų143.175%0.75276%0.758SS**  cis-152.2102.812.8-173.9170.5-147.700109.5E196E194-E196 HydrophobicContact CG-CG 4.36Å; E194-E196 PolarHBondContact O-N 3.49Å
195T41.7Very low49.6Very low145 Ų145143.9 Ų143.989%0.8976%0.756SS**  trans-9189.3171.354.50000109.5E197T195-E197 PolarHBondContact O-N 3.07Å
196E51.5Low49Very low160 Ų160142.8 Ų142.875%0.74877%0.766SS**  trans-62.9122.5167.5-72.6-159133.500110.1E194 I198E194-E196 HydrophobicContact CG-CG 4.36Å; E194-E196 PolarHBondContact O-N 3.49Å; E196-I198 PolarHBondContact O-N 2.79Å
197E48.8Very low48.6Very low173 Ų173140.8 Ų140.881%0.80877%0.766SS**  trans-72.788.5-176.5-176.1178.7-163.700110.6T195 T199T195-E197 PolarHBondContact O-N 3.07Å; E197-T199 PolarHBondContact O-N 2.99Å
198I43.4Very low48.4Very low149 Ų149139.9 Ų139.976%0.76477%0.772SS**  trans-69.382172.3-70.1171.4000109.5E196 V200E196-I198 PolarHBondContact O-N 2.79Å; I198-V200 HydrophobicContact CG2-CG2 3.63Å; I198-V200 PolarHBondContact O-N 2.95Å; I198-V200 VanDerWaalsContact O-N 3.1Å
199T50.1Low47.5Very low104 Ų104140.4 Ų140.464%0.63877%0.768SS**  trans-74.490.7165.9-60.20000108.4E197 D201E197-T199 PolarHBondContact O-N 2.99Å; T199-D201 PolarHBondContact O-N 3.28Å; T199-D201 VanDerWaalsContact O-N 3.1Å
200V49.8Very low46.6Very low119 Ų119142.1 Ų142.172%0.72177%0.774SS**  trans-76.592.8165.8-172.40000107.9I198 P202I198-V200 HydrophobicContact CG2-CG2 3.63Å; I198-V200 PolarHBondContact O-N 2.95Å; I198-V200 VanDerWaalsContact O-N 3.1Å; V200-P202 WeakPolarHBondContact O-CD 3.44Å
201D52.5Low46.1Very low122 Ų122141.8 Ų141.865%0.65277%0.772SS**  trans-62.5119174-158.110000108.9T199T199-D201 PolarHBondContact O-N 3.28Å; T199-D201 VanDerWaalsContact O-N 3.1Å
202P59.7Low45.9Very low83 Ų83141.4 Ų141.454%0.53977%0.769SS.*  trans-67.4134.9-177.926.4-33.8000110V200 Q204V200-P202 WeakPolarHBondContact O-CD 3.44Å; P202-Q204 WeakPolarHBondContact O-CG 3.43Å; P202-Q204 PolarHBondContact O-N 3.4Å
203P48.1Very low45.3Very low126 Ų126146 Ų14682%0.81877%0.771SS**  trans-64.5104.9178.326-33.2000110E205P203-E205 PolarHBondContact O-N 2.79Å; P203-E205 VanDerWaalsContact O-N 3.09Å
204Q44Very low45Very low168 Ų168145.7 Ų145.779%0.78577%0.774SS**  trans-76.896-179.8-60.4-172.721.300110P202 G206P202-Q204 WeakPolarHBondContact O-CG 3.43Å; P202-Q204 PolarHBondContact O-N 3.4Å; Q204-G206 PolarHBondContact O-N 3.15Å; Q204-G206 VanDerWaalsContact O-N 3.14Å
205E42.2Very low44.5Very low178 Ų178147.6 Ų147.683%0.83278%0.78SS**  trans-65.4111.3165.5-69.1-167.2163.600109.6P203 V207P203-E205 PolarHBondContact O-N 2.79Å; P203-E205 VanDerWaalsContact O-N 3.09Å; E205-V207 PolarHBondContact O-N 3.04Å
206G43.3Very low44.3Very low82 Ų82148.6 Ų148.685%0.84578%0.78SS**  trans-72.788.9-170.700000113.7Q204Q204-G206 PolarHBondContact O-N 3.15Å; Q204-G206 VanDerWaalsContact O-N 3.14Å
207V41Very low43.9Very low142 Ų142144.5 Ų144.586%0.86178%0.781SS**  trans-80.8126.2163.6-74.10000111.5E205E205-V207 PolarHBondContact O-N 3.04Å
208A42.8Very low43.7Very low79 Ų79141.7 Ų141.765%0.65378%0.781SS**  trans-47.6147.8-173.600000116.5
209N34.5Very low43.6Very low144 Ų144140.8 Ų140.877%0.7779%0.786SS**  172.8118.7104.7-94.8-71.5000115.5
210R37.5Very low43.2Very low217 Ų217142.3 Ų142.382%0.81980%0.795SS**  44.886.7120.1-161.5-171.2-154.2-133.610.1120.1
211L37.1Very low42.6Very low161 Ų161141.3 Ų141.384%0.84380%0.799SS**  trans-163.2137.1142.5-134.965.2000107.3
212L39.4Very low41.9Very low145 Ų145147.4 Ų147.476%0.75983%0.831SS**  cis-136.5138.423.2-69139.4000110.4
213R40.3Very low41Very low234 Ų234150.7 Ų150.788%0.88385%0.845SS**PPolyproline II helixtrans-77.3124.6156.2-77.7-174.1177.3-178.6-1.3107.5F215R213-F215 PolarHBondContact O-N 2.78Å
214L46.5Very low40.6Very low168 Ų168151.9 Ų151.988%0.8885%0.847SS**PPolyproline II helixtrans-63135165.1-84.787.6000109.2
215F40.3Very low40.4Very low200 Ų200151.1 Ų151.188%0.87785%0.85SS**PPolyproline II helixtrans-69.9124.5166.7-125.7-106.4000108.4R213R213-F215 PolarHBondContact O-N 2.78Å
216D37.8Very low40.3Very low166 Ų166149.5 Ų149.589%0.88885%0.851SS**  trans-175.8149137.9-98.2-24.8000110.3
217G41.9Very low40.2Very low75 Ų75153.7 Ų153.777%0.77385%0.851SS**  trans111.967.9171.400000116
218S45.7Very low40.1Very low114 Ų114154.5 Ų154.580%0.79785%0.851SS**  trans-57.4134.6158.3172.70000111.4
219C41Very low39.9Very low130 Ų130159.9 Ų159.988%0.87887%0.865SS**  trans-166.1148.2131.6-112.50000113.8
220V40.9Very low40.3Very low136 Ų136161.1 Ų161.182%0.82487%0.872SS**  trans-91144.7-176.3165.10000111.4
221A37.6Very low40.6Very low98 Ų98156.4 Ų156.481%0.8188%0.877SS**  trans-156.3153.6143.700000111
222L38.4Very low40.9Very low250 Ų250156 Ų156100%1.30988%0.88SS**  trans-670-178.4-70151.5000113.6

Retrieved 222 of 222 residues in 139.5 ms (Link to these results)