A0A3Q0KTS5_SCHMA Loading...

PHD and RING finger domain-containing protein 1

AlphaFold DB , UniProt , Accession A0A3Q0KTS5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 660 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M52.1Low54.9Low221 Ų221145.6 Ų145.6100%1.08981%0.811SS**  088.90-92.5-60.6-177.300106.5
2D57.6Low54.3Low154 Ų154146.5 Ų146.582%0.82480%0.804SS**  trans-114.5118.3-149-63.5-89.9000110.9
3P60.2Low54Low99 Ų99146.2 Ų146.264%0.64380%0.801SS**  trans-76.1-170.1162.133.2-31.4000110.1
4Y57.8Low54.4Low205 Ų205149.5 Ų149.580%0.80481%0.811SS**  trans7987.2180-60.6-79.9000117P6Y4-P6 HydrophobicContact CD1-CG 4.02Å
5S48.5Very low54.1Low134 Ų134149.1 Ų149.194%0.93781%0.809SS**  trans-114.8109.2135.4-760000109.1
6P59Low54.4Low97 Ų97149.3 Ų149.363%0.6381%0.808SS**  trans-122.3119.9161.610.911.7000112.2Y4Y4-P6 HydrophobicContact CD1-CG 4.02Å
7S52.9Low54.2Low120 Ų120149.4 Ų149.484%0.83980%0.802SS**  trans25.5118.6140.1-520000120.3
8H52.1Low54Low181 Ų181146.1 Ų146.184%0.83879%0.792SS**  trans-33.7123.5160.9-161.7-58.1000114.1
9P61.1Low53.7Low111 Ų111146.8 Ų146.872%0.72180%0.795SS**  trans-73.6156.2171.430.6-34.1000111.7
10T53.3Low53.3Low126 Ų126145.5 Ų145.577%0.77380%0.798SS**  trans-89150.5-174.6-56.70000112.5Q12T10-Q12 PolarHBondContact O-N 3.48Å; T10-Q12 VanDerWaalsContact O-N 3.1Å
11D49.6Very low53.5Low154 Ų154144.6 Ų144.682%0.82480%0.799SS**SBendtrans-71.587.3173.5-178.537.1000112
12Q47.2Very low53.3Low156 Ų156138.8 Ų138.873%0.72979%0.786SS**  trans-163.4156.6166.8-115.5131.4109.300111.4T10T10-Q12 PolarHBondContact O-N 3.48Å; T10-Q12 VanDerWaalsContact O-N 3.1Å
13D50.1Low52.7Low143 Ų143138.2 Ų138.277%0.76579%0.789SS**  trans54.891.1167.5-54.5-36.5000118.7
14M59.9Low52.7Low192 Ų192139.5 Ų139.595%0.94680%0.797SS**  trans-153.875.6154-103.2-78.5-79.100109.3
15D50.2Low52.1Low144 Ų144137.5 Ų137.577%0.7780%0.795SS**  trans-73.1168.6165.5-84.1-60.2000111.8
16L58.4Low51.8Low152 Ų152139 Ų13980%0.79679%0.787SS**  trans102.8142.8166.1-57.9168.7000119
17E51.7Low51.2Low150 Ų150142.4 Ų142.470%0.70180%0.8SS**  trans65.281159.6-89.458.7117.700121.8
18S50.7Low50.7Low91 Ų91140.8 Ų140.864%0.63679%0.794SS**  60.8112.3113-630000120.1
19N48.4Very low50.2Low159 Ų159139.5 Ų139.585%0.8579%0.793SS**  175.6116.199.5-94.9-73.7000111.8
20S44.8Very low49.4Very low121 Ų121143 Ų14385%0.84680%0.8SS**  trans-114.2123.8-180-680000112.5
21P57.3Low48.8Very low126 Ų126144.9 Ų144.982%0.81881%0.805SS**PPolyproline II helixtrans-76.6145.916631.9-32.7000111.1
22A48Very low48.1Very low99 Ų99146.5 Ų146.582%0.81881%0.808SS**PPolyproline II helixtrans-81.2147-160.200000116.5
23T46Very low47.8Very low143 Ų143146.9 Ų146.988%0.87781%0.814SS**PPolyproline II helixtrans-101.4125.9160.7-2.50000110.1
24P60.6Low47.3Very low126 Ų126144.6 Ų144.682%0.81881%0.807SS**  trans-107.3117.2165.733.5-24.2000111.1
25E43.5Very low46.3Very low162 Ų162141.8 Ų141.876%0.75780%0.803SS**  trans-122.8137.6164-145.1-161.4120.300109.5
26Q43.4Very low45.9Very low167 Ų167140.5 Ų140.578%0.7880%0.796SS**  trans63.499.5167.7-46.6-169.19.700118.9
27D45.3Very low44.7Very low168 Ų168141.4 Ų141.490%0.89880%0.796SS**  trans-152.3171.3136-146.1-40.7000110.3
28A43.6Very low43.9Very low86 Ų86139.3 Ų139.371%0.71180%0.798SS**  trans6398.6162.600000118.4
29N41.8Very low43Very low154 Ų154142.4 Ų142.482%0.82481%0.807SS**  trans-64.9163148.8-72.7-81.1000110.8
30Q43.1Very low42.7Very low183 Ų183138.4 Ų138.486%0.85579%0.792SS**  trans80.389.8177.5-51.4-178.396.900116.4
31N41.6Very low43Very low167 Ų167136.1 Ų136.189%0.89377%0.77SS**  -159.4152104-100.3-47.7000111.5
32Q34.5Very low43.4Very low188 Ų188135.3 Ų135.388%0.87976%0.762SS**  trans-127.396-165.8-179.4175.583.300110.9
33L41.3Very low44.7Very low164 Ų164131.2 Ų131.286%0.85973%0.727SS**  trans-136.4159.8177.2-74.7177.2000111.6
34P40.2Very low46.3Very low94 Ų94128 Ų12861%0.6171%0.709SS**  trans-86.1165.3-150.1-13.431.3000116.2D36P34-D36 PolarHBondContact O-N 3.5Å
35P38.3Very low46.9Very low134 Ų134125.3 Ų125.387%0.8769%0.687SS**  trans-79.781.1176.433.6-35.5000112Q37P35-Q37 PolarHBondContact O-N 3.43Å
36D40.5Very low48.5Very low117 Ų117120.5 Ų120.563%0.62667%0.666SS**  trans-70.8114.8-179.9-103.3-60.7000113.9P34 S38P34-D36 PolarHBondContact O-N 3.5Å; D36-S38 PolarHBondContact O-N 3.05Å
37Q33.5Very low49.9Very low171 Ų171113 Ų11380%0.79963%0.631SS**  trans56.744.5141.3-62.3178.570.700118.9P35 L39P35-Q37 PolarHBondContact O-N 3.43Å; Q37-L39 PolarHBondContact O-N 3.47Å
38S34.8Very low50.5Low106 Ų106110.6 Ų110.674%0.74162%0.618SS**  trans-76.664.9161.762.20000112.7D36 S40D36-S38 PolarHBondContact O-N 3.05Å; S38-S40 PolarHBondContact O-N 2.69Å; S38-S40 PolarHBondContact O-OG 3.06Å; S38-S40 VanDerWaalsContact O-OG 3.12Å
39L33.3Very low50.7Low155 Ų155111.3 Ų111.381%0.81262%0.618SS**  trans-70.269.8174.6-139179000110.5Q37 D41Q37-L39 PolarHBondContact O-N 3.47Å; L39-D41 PolarHBondContact O-N 3.5Å
40S40.8Very low50.6Low76 Ų76111.1 Ų111.153%0.53162%0.617SS.*  trans-89.467.1-163.348.90000112.1S38 V42S38-S40 PolarHBondContact O-N 2.69Å; S38-S40 PolarHBondContact O-OG 3.06Å; S38-S40 VanDerWaalsContact O-OG 3.12Å; S40-V42 WeakPolarHBondContact O-CG2 3.32Å; S40-V42 PolarHBondContact O-N 3.49Å
41D52.5Low50.5Low72 Ų72108.4 Ų108.439%0.38561%0.613SS.*  trans-14.187.8174.9-98.69.1000113.3L39 V43 K642 R645L39-D41 PolarHBondContact O-N 3.5Å; D41-V43 PolarHBondContact O-N 3Å; D41-K642 HydrophobicContact CB-CD 4.23Å; D41-K642 WeakPolarHBondContact O-CD 3.2Å; D41-K642 PolarHBondContact O-NZ 3.19Å; D41-R645 IonicContact OD2-CZ 3.68Å; D41-R645 IonicContact OD2-NE 3.71Å; D41-R645 IonicContact OD2-NH2 2.81Å; D41-R645 PolarHBondContact OD2-NH2 3.24Å
42V64.7Low50.4Low109 Ų109109 Ų10966%0.66161%0.608SS**  trans-79.5109.3-177179.60000107S40 P44S40-V42 WeakPolarHBondContact O-CG2 3.32Å; S40-V42 PolarHBondContact O-N 3.49Å; V42-P44 WeakPolarHBondContact O-CD 3.37Å
43V75.5Confident50.6Low14 Ų14107.1 Ų107.19%0.08560%0.604CS.*  trans-51.6114.7172.2174.20000108.3D41 L45 F635 L638 Y639 K642D41-V43 PolarHBondContact O-N 3Å; V43-L45 PolarHBondContact O-N 2.81Å; V43-F635 HydrophobicContact CG1-CD2 3.83Å; V43-F635 HydrophobicContact CG1-CE2 3.75Å; V43-L638 HydrophobicContact CG1-CB 3.63Å; V43-L638 HydrophobicContact CG1-CD1 4.28Å; V43-L638 HydrophobicContact CG2-CB 4.49Å; V43-Y639 HydrophobicContact CB-CD2 4.15Å; V43-Y639 HydrophobicContact CB-CE2 3.87Å; V43-Y639 HydrophobicContact CG1-CD2 3.79Å; V43-Y639 HydrophobicContact CG1-CE2 3.82Å; V43-Y639 HydrophobicContact CG2-CD1 4.27Å; V43-Y639 HydrophobicContact CG2-CD2 4.04Å; V43-Y639 HydrophobicContact CG2-CE1 4.31Å; V43-Y639 HydrophobicContact CG2-CE2 4.08Å; V43-Y639 HydrophobicContact CG2-CG 4.13Å; V43-K642 HydrophobicContact CG2-CB 4.45Å; V43-K642 HydrophobicContact CG2-CD 4.14Å
44P78.6Confident50Low75 Ų75104.7 Ų104.749%0.48760%0.6SS.*  trans-58.9138.5-173.5-28.936.9000112.4V42 L46 F635V42-P44 WeakPolarHBondContact O-CD 3.37Å; P44-L46 HydrophobicContact CB-CD2 4.41Å; P44-L46 PolarHBondContact O-N 3.46Å; P44-L46 VanDerWaalsContact O-N 3.11Å; P44-F635 WeakPolarHBondContact O-CD2 3.39Å; P44-F635 WeakPolarHBondContact O-CE2 3.27Å
45L74.8Confident49.8Very low70 Ų70107.3 Ų107.337%0.36661%0.605SS.*  trans-78.495175.4-73.3173.1000109.8V43 F47 K618 F635V43-L45 PolarHBondContact O-N 2.81Å; L45-F47 PolarHBondContact O-N 3.35Å; L45-K618 HydrophobicContact CD2-CB 4.26Å; L45-K618 HydrophobicContact CD2-CD 4.32Å; L45-F635 HydrophobicContact CD2-CE2 3.88Å; L45-F635 HydrophobicContact CD2-CZ 3.91Å
46L77Confident49.8Very low61 Ų61108.2 Ų108.232%0.31960%0.598SS.*THydrogen-bonded Turntrans-68.614177.1-51.3-179.4000114.3P44 T634 F635 L638P44-L46 HydrophobicContact CB-CD2 4.41Å; P44-L46 PolarHBondContact O-N 3.46Å; P44-L46 VanDerWaalsContact O-N 3.11Å; L46-T634 HydrophobicContact CD1-CG2 3.55Å; L46-F635 HydrophobicContact CD1-CB 4.24Å; L46-L638 HydrophobicContact CD1-CD1 4.13Å
47F72.8Confident49.4Very low8 Ų8108.9 Ų108.94%0.03560%0.602CS.*THydrogen-bonded Turntrans-113.84-167.3-69-76.8000114L45 S49 I619 S622 T624 K631 I632 F635L45-F47 PolarHBondContact O-N 3.35Å; F47-S49 PolarHBondContact O-N 2.65Å; F47-I619 HydrophobicContact CD2-CG1 4.47Å; F47-I619 HydrophobicContact CE1-CG2 4.11Å; F47-I619 HydrophobicContact CE2-CG1 3.75Å; F47-I619 HydrophobicContact CE2-CG2 4.47Å; F47-I619 HydrophobicContact CZ-CD1 4.44Å; F47-I619 HydrophobicContact CZ-CG1 3.89Å; F47-I619 HydrophobicContact CZ-CG2 4.08Å; F47-S622 WeakPolarHBondContact CB-OG 3.35Å; F47-T624 HydrophobicContact CD1-CG2 3.98Å; F47-T624 HydrophobicContact CE1-CG2 4.5Å; F47-K631 HydrophobicContact CE1-CB 3.88Å; F47-K631 HydrophobicContact CZ-CB 4.14Å; F47-I632 HydrophobicContact CE1-CG1 3.94Å; F47-I632 HydrophobicContact CZ-CB 4.49Å; F47-I632 HydrophobicContact CZ-CG1 3.68Å; F47-F635 HydrophobicContact CE2-CB 3.84Å; F47-F635 AromaticContact CE2-CD1 3.89Å; F47-F635 HydrophobicContact CE2-CD1 3.89Å; F47-F635 HydrophobicContact CE2-CD2 4.13Å; F47-F635 HydrophobicContact CE2-CE1 4.43Å; F47-F635 AromaticContact CE2-CG 3.71Å; F47-F635 HydrophobicContact CE2-CG 3.71Å; F47-F635 HydrophobicContact CZ-CB 4.36Å
48N56.8Low49.8Very low119 Ų119106.7 Ų106.764%0.63660%0.6SS**  trans-63.2120.3168.9-72.621.6000108.9
49S47.5Very low49.8Very low100 Ų100108.6 Ų108.670%0.69960%0.602SS**SBendtrans-71.1136.9174.547.50000110.9F47F47-S49 PolarHBondContact O-N 2.65Å
50N41.5Very low50.1Low150 Ų150106.8 Ų106.880%0.80260%0.597SS**SBendtrans108.739.3172-54.25.1000116.9
51T40.5Very low50Low126 Ų126108.4 Ų108.477%0.77361%0.606SS**SBendtrans-155.524.9169.4-21.50000115.6
52F38.9Very low49.3Very low179 Ų179112.7 Ų112.779%0.78562%0.623SS**  trans-144.774.2173.4-109.6-85.5000109.3
53D38.2Very low48.5Very low150 Ų150112.4 Ų112.480%0.80262%0.624SS**  trans-96.9159.7163.1-97.7-74.7000109.7M55D53-M55 PolarHBondContact O-N 3.43Å
54C29.9Very low46.5Very low113 Ų113118.6 Ų118.676%0.76466%0.656SS**  trans-29.8110.5-170.5-166.60000117.7
55M34.7Very low45.2Very low149 Ų149123.5 Ų123.573%0.73467%0.673SS**  trans-140.178.7151.9-72.5-89.762.600108.8D53D53-M55 PolarHBondContact O-N 3.43Å
56Q39.3Very low43.6Very low152 Ų152126.4 Ų126.471%0.7169%0.688SS**  trans-121102.4158-82.7-170.6-5.600107.5T58Q56-T58 VanDerWaalsContact C-N 3.33Å; Q56-T58 PolarHBondContact O-N 3.3Å
57D31.7Very low41.9Very low132 Ų132130.6 Ų130.671%0.70671%0.708SS**  trans-74.179.4-178.8-66-81.9000112.1N59D57-N59 PolarHBondContact O-N 3.47Å
58T42.3Very low40.4Very low124 Ų124139 Ų13976%0.76175%0.747SS**  trans-77.177.316355.30000109.5Q56 V60Q56-T58 VanDerWaalsContact C-N 3.33Å; Q56-T58 PolarHBondContact O-N 3.3Å; T58-V60 PolarHBondContact O-N 2.92Å
59N34.7Very low39.5Very low146 Ų146141.2 Ų141.278%0.78175%0.754SS**  trans-75.3102.3178.6-157.5-54.7000109.8D57D57-N59 PolarHBondContact O-N 3.47Å
60V39.9Very low39.4Very low118 Ų118142.2 Ų142.272%0.71576%0.761SS**  trans-130.5115.3175.5-178.20000108.3T58T58-V60 PolarHBondContact O-N 2.92Å
61P39.4Very low39.3Very low110 Ų110143.3 Ų143.371%0.71476%0.761SS**  trans-76.8135.2-177.829.9-33.8000112
62Q36Very low39.3Very low162 Ų162146.8 Ų146.876%0.75777%0.766SS**  trans-93.9126.5166-77.5-79.3-6100109.4N64Q62-N64 PolarHBondContact O-N 2.95Å
63P48.6Very low39.3Very low103 Ų103145.6 Ų145.667%0.66976%0.762SS**  trans-83.9108.5171.531.8-30.2000110.5
64N34.4Very low39.6Very low144 Ų144144.3 Ų144.377%0.7776%0.76SS**  trans-87.6125167.1-74.1-38.8000109.7Q62Q62-N64 PolarHBondContact O-N 2.95Å
65H51.5Low40.1Very low178 Ų178142.9 Ų142.982%0.82475%0.751SS**  trans-124.5141.8162.4-67.1-72.9000108.7
66N41.1Very low40.5Very low131 Ų131143 Ų14370%0.70176%0.755SS**  trans-158.3142.2-158.4-168.934.9000109.8
67M39.4Very low40.7Very low148 Ų148143.1 Ų143.173%0.72976%0.755SS**  trans63.4161.8-172.9-36.1-48.5-16600113.4
68E41.9Very low41.6Very low184 Ų184145.6 Ų145.686%0.8676%0.762SS**  cis-146.4156.68.8-155.9150.288.500113.3
69E37.3Very low41.6Very low166 Ų166147 Ų14778%0.77677%0.765SS**  trans-60.7151.3-173.7-178.8-177.4139.300118.5
70S47.1Very low41.9Very low121 Ų121145.8 Ų145.885%0.84677%0.768SS**  trans-176.2148.6137.728.30000113.8
71H39.6Very low42Very low173 Ų173145.8 Ų145.880%0.80177%0.773SS**  trans-98.5152178.7-79.6-123.2000112.6
72F40.5Very low42.2Very low199 Ų199143.5 Ų143.587%0.87377%0.769SS**  -164.5172.3109.8-153-109.6000111.8
73E37.9Very low42.5Very low154 Ų154145.6 Ų145.672%0.7278%0.779SS**  trans-133.8155.9-164-171.2-178.9148.900111.2
74V45.3Very low42.5Very low124 Ų124151.9 Ų151.975%0.75279%0.79SS**  trans159.9113.8142.8159.50000111.8
75S40.1Very low42.8Very low83 Ų83148.4 Ų148.458%0.5879%0.787SS**  trans-0.1134.6152.6-36.70000121.4
76N43.1Very low42.3Very low151 Ų151146.5 Ų146.581%0.80779%0.793SS**  -165.7135.888.1-104.80.6000114.9
77E43.4Very low42.6Very low154 Ų154144.8 Ų144.872%0.7280%0.797SS**  trans-29.8140.3168.1-14.8-83.776.900117.5
78H49.5Very low43Very low184 Ų184143.8 Ų143.885%0.85280%0.801SS**  -169.7147.1107.6-103.5-66.8000113.9
79N42.2Very low43.1Very low155 Ų155138.7 Ų138.783%0.82979%0.786SS**  trans-55.1138.9-171.8-51.8-54.6000116.6
80S41.5Very low43.4Very low119 Ų119139.7 Ų139.783%0.83279%0.788SS**  -172.3150.4110.9-164.70000112.2
81S42.9Very low43.5Very low119 Ų119140 Ų14083%0.83279%0.787SS**  trans-85.3139-17655.10000113.9
82G42.4Very low43.8Very low61 Ų61137.2 Ų137.263%0.62978%0.782SS**  trans152.2102.7166.800000113.3R84G82-R84 PolarHBondContact O-N 3.47Å
83E42.9Very low44.2Very low206 Ų206136.6 Ų136.696%0.96378%0.779SS**  trans-74.9113.5-179.1-70.9-167.8110.300112.5
84R48.3Very low44.3Very low236 Ų236134.3 Ų134.389%0.89178%0.78SS**  trans-78.6148.7152.6-66.8159.4-79.9-153.2-3.4106.7G82G82-R84 PolarHBondContact O-N 3.47Å
85G41.8Very low44.3Very low70 Ų70135.6 Ų135.672%0.72278%0.781SS**  cis125.8155.712.100000109.9
86C39.4Very low44.7Very low139 Ų139139.6 Ų139.694%0.93979%0.791SS**  trans-164.3100.6162.9-102.60000112.6
87A49Very low44.8Very low95 Ų95139.5 Ų139.579%0.78579%0.786SS**  trans-100.5157.4141.600000106.3
88P47.8Very low44.9Very low126 Ų126138.1 Ų138.182%0.81878%0.783SS**  -145-16664.932.7-10000113.4
89S42.8Very low45Very low78 Ų78133.7 Ų133.755%0.54578%0.778SS.*  cis-173.1161.5-49.6-1710000109.2
90F45.1Very low45.3Very low187 Ų187132.1 Ų132.182%0.8278%0.776SS**  trans68.2123.6164.4-46.7-62.3000120.7
91P47.7Very low45.7Very low126 Ų126136.5 Ų136.582%0.81878%0.781SS**  trans-125.3128.9158.535.8-22.5000113.2
92V46.2Very low45.7Very low115 Ų115139.2 Ų139.270%0.69778%0.78SS**  trans-150.5119.8-179.2-176.50000113.8
93K49.9Very low46Very low186 Ų186142.9 Ų142.981%0.80979%0.79SS**  trans59.9136156.5-64.4169.9-164.7179.40118.1
94S38.9Very low46Very low107 Ų107141.7 Ų141.775%0.74878%0.782SS**  cis104153.333.8-66.40000112.4
95I46.5Very low45.8Very low150 Ų150137.8 Ų137.877%0.76977%0.774SS**  trans82.1117.3-173.7-52.4171.7000110.7
96E47.4Very low45.7Very low168 Ų168137.9 Ų137.979%0.78578%0.775SS**  64.6142.474.2-87.7166.1123.200113
97E46.1Very low46.1Very low149 Ų149141 Ų14170%0.69677%0.768SS**  cis-155.9-1787.8-152.1-169.2129.100109.7
98N44.8Very low45.5Very low125 Ų125146.7 Ų146.767%0.66877%0.769SS**  trans62.798.8156.4-73.2-54.8000122.7
99A50.7Low45.7Very low91 Ų91145 Ų14575%0.75277%0.766SS**  48.6149.2106.400000123.1
100P49.8Very low45.9Very low121 Ų121147.7 Ų147.779%0.78677%0.77SS**  trans-114.8167.7-158.642.6-33.1000116.4
101K50.3Low46Very low212 Ų212144.9 Ų144.992%0.92277%0.768SS**  trans-142.4145.8155-69.5-168.2178.5176.30112.2
102E42.9Very low46Very low175 Ų175150 Ų15082%0.81877%0.771SS**  trans-75.5154173.1-55.3-176.7111.700112.1
103T47.2Very low46.3Very low138 Ų138150.6 Ų150.685%0.84778%0.777SS**  trans-152.7132.9147.1-68.90000110
104K43.2Very low46.4Very low182 Ų182147.1 Ų147.179%0.79178%0.776SS**  trans-86.5133173.9-59.5166.1-175.1167.20109.7
105H44.7Very low47.1Very low154 Ų154146.7 Ų146.771%0.71377%0.773SS**  trans-152.6138.7148.1-113.560.5000110.6Y107H105-Y107 HydrophobicContact CB-CE2 4.13Å; H105-Y107 AromaticContact CD2-CE1 3.86Å; H105-Y107 AromaticContact CD2-CZ 3.76Å; H105-Y107 PolarHBondContact CD2-OH 3.18Å
106G38.5Very low47Very low72 Ų72145 Ų14574%0.74277%0.77SS**  trans-121.5138.9176.500000109.9
107Y47.6Very low47.2Very low203 Ų203146.4 Ų146.480%0.79678%0.776SS**  trans-120.3132.4-178.6-58.5-74000110.1H105H105-Y107 HydrophobicContact CB-CE2 4.13Å; H105-Y107 AromaticContact CD2-CE1 3.86Å; H105-Y107 AromaticContact CD2-CZ 3.76Å; H105-Y107 PolarHBondContact CD2-OH 3.18Å
108R38.2Very low47.2Very low215 Ų215148.2 Ų148.281%0.81178%0.781SS**  trans-131127.7-179-170.7-169.6-163.1-155.49.7109.6H110R108-H110 PolarHBondContact O-CD2 3Å
109A50.3Low47.3Very low91 Ų91154.2 Ų154.275%0.75280%0.795SS**  trans-132.4132166.800000106.2
110H46.8Very low47Very low134 Ų134154.6 Ų154.662%0.6279%0.792SS**  cis61.8118.537.5-53-78.2000111R108R108-H110 PolarHBondContact O-CD2 3Å
111T48.6Very low46.9Very low128 Ų128154.3 Ų154.379%0.78579%0.788SS**  cis-152-167.92.5-19.50000107
112R46.9Very low46.7Very low234 Ų234151.5 Ų151.588%0.88378%0.778SS**  cis-158.9138.410.5-162.7177.5-173163.71.4109.1
113P52.8Low46.9Very low127 Ų127148.3 Ų148.383%0.82577%0.772SS**  trans-94.7156.6-179.636.4-35000114.6
114S51.8Low47Very low113 Ų113149.2 Ų149.279%0.7977%0.766SS**  trans-170.3156.6170.6-1790000110.5
115S53Low47Very low98 Ų98148.6 Ų148.669%0.68577%0.766SS**  cis-159.8152.9-46.154.20000110.3
116V45.9Very low46.9Very low115 Ų115152.6 Ų152.670%0.69778%0.775SS**  trans17.5124.9161.8-172.80000119.7
117H50.8Low47.1Very low197 Ų197161 Ų16191%0.91278%0.784SS**  trans-136.1132.4135-105.464.9000110.5
118K46.3Very low46.8Very low187 Ų187156.5 Ų156.581%0.81378%0.782SS**  trans-119.5131.2177.8-84.4-175.8175.5178.50110.4
119R46.4Very low47Very low252 Ų252158.3 Ų158.395%0.95179%0.789SS**  trans-179.1160.2153.3-99.1159.8-165.8-172.16.6108.2
120S45.6Very low46.8Very low98 Ų98159.4 Ų159.469%0.68579%0.791SS**  cis-170.1132.3-35.6-179.20000108.3
121V47.4Very low46.6Very low116 Ų116164.7 Ų164.770%0.70381%0.806SS**  trans21.8116.1153.3-173.10000118.7
122Q46.2Very low46.3Very low153 Ų153163.6 Ų163.672%0.71580%0.804SS**  -175.5122.5123.5-99.5-55.6-11.900111.9
123P46.9Very low46.2Very low107 Ų107157.9 Ų157.970%0.69580%0.797SS**  trans-121.3114.3178.236.2-22.2000113.8
124H48.2Very low46Very low157 Ų157160.8 Ų160.873%0.72780%0.796SS**  trans-141.2159.1179.8-95.4-97.8000115.4
125H44.5Very low45.8Very low169 Ų169166.5 Ų166.578%0.78280%0.801SS**  trans70.479172.5-65.7-68.6000120.3
126R42.7Very low45.2Very low238 Ų238165.8 Ų165.890%0.89881%0.809SS**  trans-12.3131.1133.5-62.2172.4172.9175.6-2.9115.1
127R41.5Very low45.2Very low249 Ų249167.6 Ų167.694%0.9481%0.814SS**  trans-146105.5136.2-148172.7-166.2-179.55.8112.7
128S42.2Very low44.8Very low108 Ų108168.3 Ų168.376%0.75582%0.815SS**  trans-67.6133.4178.2-45.70000111.7
129R42Very low45Very low254 Ų254167.7 Ų167.796%0.95881%0.812SS**  trans-123.5105.8150.8-84-168.3162.8175.3-4109.5
130S46.5Very low45Very low114 Ų114161.3 Ų161.380%0.79779%0.793SS**  trans-76155-171.445.60000113.3
131R42.3Very low45.1Very low244 Ų244164.7 Ų164.792%0.92180%0.804SS**  trans-47.8145.2166.6-60169174.4171-4.3111.6
132S42Very low45.1Very low106 Ų106165.5 Ų165.574%0.74180%0.798SS**  trans-153.3100.9158.5177.10000111.9
133P45.1Very low44.9Very low114 Ų114164.4 Ų164.474%0.7479%0.794SS**  trans-87.4129.3173.233.2-30.9000111.8
134K48.1Very low44.7Very low188 Ų188165.2 Ų165.282%0.81780%0.802SS**  trans-111.2109.7159-78.6178.8175.4176.20107
135R48.1Very low44.7Very low233 Ų233166.7 Ų166.788%0.87980%0.802SS**  57.197.486.5-69.7-170.5-179.5-1395.8110.4
136G40.7Very low44.6Very low83 Ų83170 Ų17086%0.85681%0.807SS**  trans-66.8159168.400000111.3
137N45.4Very low44.6Very low152 Ų152163.9 Ų163.981%0.81380%0.801SS**  trans-134.9109.1171.6-153.818.8000109.2F139N137-F139 PolarHBondContact O-N 3.33Å
138K43.3Very low44.9Very low212 Ų212164.1 Ų164.192%0.92280%0.802SS**  trans-9684.6173.1-177.4-173.1178.6-176.20107.2
139F49.2Very low44.9Very low174 Ų174163.9 Ų163.976%0.76380%0.8SS**  trans-135.7159.6176.3-151.5-98.8000111.1N137N137-F139 PolarHBondContact O-N 3.33Å
140E47.9Very low45Very low118 Ų118159.5 Ų159.555%0.55179%0.79SS**  trans-70.5136.2-168.5-58.8-161.7106.300113.5K142E140-K142 HydrophobicContact CB-CB 4.43Å; E140-K142 HydrophobicContact CB-CG 4.22Å; E140-K142 PolarHBondContact O-N 3.45Å; E140-K142 IonicContact OE1-NZ 3.15Å; E140-K142 PolarHBondContact OE1-NZ 3.17Å; E140-K142 WeakPolarHBondContact OE2-CD 3.47Å; E140-K142 IonicContact OE2-NZ 2.61Å; E140-K142 PolarHBondContact OE2-NZ 2.89Å
141D46.4Very low44.9Very low169 Ų169160 Ų16090%0.90479%0.794SS**  trans-78.572.8162.9-140.8-45.3000109.7
142K47Very low44.9Very low133 Ų133158.3 Ų158.358%0.57879%0.787SS**  trans-118.9126.6169.7-76.4-167.9-179.8111.70109.6E140E140-K142 HydrophobicContact CB-CB 4.43Å; E140-K142 HydrophobicContact CB-CG 4.22Å; E140-K142 PolarHBondContact O-N 3.45Å; E140-K142 IonicContact OE1-NZ 3.15Å; E140-K142 PolarHBondContact OE1-NZ 3.17Å; E140-K142 WeakPolarHBondContact OE2-CD 3.47Å; E140-K142 IonicContact OE2-NZ 2.61Å; E140-K142 PolarHBondContact OE2-NZ 2.89Å
143M42.8Very low45Very low131 Ų131162.3 Ų162.365%0.64579%0.794SS**  trans70.354.7159.1-59.4169.946.900117.6R145M143-R145 VanDerWaalsContact C-N 3.33Å; M143-R145 HydrophobicContact CB-CG 4.45Å; M143-R145 PolarHBondContact O-N 3.3Å
144S42.4Very low44.9Very low123 Ų123168.2 Ų168.286%0.8680%0.801SS**  trans-67.196.7144.2-170.80000109.2
145R49.1Very low44.9Very low188 Ų188165 Ų16571%0.70980%0.798SS**  trans-106.3141176.7-81.3-179.6167.1177.3-1.5109.7M143M143-R145 VanDerWaalsContact C-N 3.33Å; M143-R145 HydrophobicContact CB-CG 4.45Å; M143-R145 PolarHBondContact O-N 3.3Å
146R42.5Very low44.7Very low239 Ų239165 Ų16590%0.90280%0.798SS**  trans69.1144.7175.2-54170.8165171.8-7.5112.5
147S42.7Very low45Very low109 Ų109170.4 Ų170.476%0.76280%0.797SS**  cis-137.61339-65.90000112.2
148R46.2Very low44.8Very low254 Ų254171.6 Ų171.696%0.95880%0.798SS**  trans-149.2139.6145.8-124.5173.8177.3117.7-0.9108.6
149S42.7Very low44.8Very low103 Ų103173.1 Ų173.172%0.7280%0.798SS**  trans-96.8146.9-152.1-66.20000114.9
150H45.3Very low44.4Very low162 Ų162169.9 Ų169.975%0.7580%0.796SS**  trans20.6110.2143.1-63.893.6000118.9
151S43Very low44.1Very low125 Ų125176.6 Ų176.687%0.87482%0.817SS**  -142154.8107-1690000110
152R42.2Very low43.9Very low209 Ų209172.7 Ų172.779%0.78980%0.803SS**  trans-115.9128-177.9-71.4175.2172.4170.4-2.1109.3
153H43.9Very low43.6Very low189 Ų189178.2 Ų178.288%0.87582%0.82SS**  trans-141.3135.4142.1-123.2-81.3000112
154R44.9Very low43.7Very low238 Ų238177 Ų17790%0.89882%0.824SS**  trans-89.8123.9176.8-66.6170.3172.7162.1-5.5108.9
155V48Very low43.9Very low122 Ų122177.6 Ų177.674%0.73982%0.818SS**  trans-135.4107.8152.6-177.70000108.4
156R42.1Very low43.9Very low233 Ų233174.5 Ų174.588%0.87981%0.812SS**  trans-72.7122.2161.8-77.1177.2170166.2-5.7107.2
157K48Very low44.2Very low196 Ų196173.9 Ų173.985%0.85281%0.809SS**  trans-130.7119.7161.2-118.4174.8-178.2174.80109.7
158H40.4Very low44.7Very low177 Ų177179.4 Ų179.482%0.81981%0.814SS**  trans-72.3137.2180-66.5-123.2000109.1
159R43.5Very low44.8Very low243 Ų243176.5 Ų176.592%0.91780%0.803SS**  trans-140.3101.7161.6-143.8168.8-170.5168.42.7111.4R161R159-R161 PolarHBondContact O-N 3Å
160S42.5Very low45Very low106 Ų106175.8 Ų175.874%0.74180%0.797SS**  trans-34.1107.1-176.3-47.50000116S162S160-S162 PolarHBondContact O-N 2.98Å
161R41.4Very low45.1Very low259 Ų259179.2 Ų179.298%0.97780%0.804SS**  trans-90.880156.6-85.3-175.3166.3155.5-2.5109.2R159R159-R161 PolarHBondContact O-N 3Å
162S41.5Very low45.1Very low88 Ų88178.2 Ų178.262%0.61580%0.797SS**  trans-119.4139.2-176.9-61.20000111.7S160S160-S162 PolarHBondContact O-N 2.98Å
163R40.2Very low45.4Very low248 Ų248179.3 Ų179.394%0.93680%0.801SS**SBendtrans60.886.5161.2-59.4170.7-178.9166-1.4116.6
164S45.1Very low45.9Very low105 Ų105176.4 Ų176.473%0.73480%0.797SS**SBendtrans-150.3-56.7152.5-172.50000113E166S164-E166 VanDerWaalsContact C-N 3.33Å; S164-E166 PolarHBondContact O-N 3.41Å
165N47.2Very low46.7Very low137 Ų137170.8 Ų170.873%0.73379%0.791SS**G310 helixtrans-66-24.7-170.7-99.5-21.3000115.9R167 R168N165-R167 PolarHBondContact O-N 3Å; N165-R168 PolarHBondContact O-N 3.49Å
166E49.3Very low46.8Very low123 Ų123170.4 Ų170.458%0.57579%0.791SS**G310 helixtrans-71.2-30-173.1-150.453.3-126.500113.5S164 R168 R169 S170S164-E166 VanDerWaalsContact C-N 3.33Å; S164-E166 PolarHBondContact O-N 3.41Å; E166-R168 PolarHBondContact O-N 2.9Å; E166-R169 PolarHBondContact O-N 3.21Å; E166-S170 PolarHBondContact O-OG 2.92Å
167R49Very low46.8Very low225 Ų225171.4 Ų171.485%0.84980%0.795SS**G310 helixtrans-63.8-6.8179.9-91.9-170.6171.5-164.6-3.1114.5N165N165-R167 PolarHBondContact O-N 3Å
168R52.3Low46.6Very low226 Ų226170.6 Ų170.685%0.85379%0.794SS**G310 helixtrans-98.4-8.6173.8-70.5-170.5175.7-165.7-1.5114.7N165 E166N165-R168 PolarHBondContact O-N 3.49Å; E166-R168 PolarHBondContact O-N 2.9Å
169R48.8Very low46.6Very low193 Ų193166.6 Ų166.673%0.72879%0.785SS**THydrogen-bonded Turntrans-99.6-18.1175.6-80-170.1165.2108.6-0.1114.6E166 R171E166-R169 PolarHBondContact O-N 3.21Å; R169-R171 VanDerWaalsContact C-N 3.33Å; R169-R171 PolarHBondContact O-N 2.97Å
170S46.2Very low46.6Very low87 Ų87166.4 Ų166.461%0.60879%0.785SS**THydrogen-bonded Turntrans-81.5-1.2-178.7-37.70000115.4E166E166-S170 PolarHBondContact O-OG 2.92Å
171R48Very low46.7Very low235 Ų235167.3 Ų167.389%0.88779%0.786SS**THydrogen-bonded Turntrans-98.610.5-176.2-77.7-174.1170-179.7-4.6114.8R169R169-R171 VanDerWaalsContact C-N 3.33Å; R169-R171 PolarHBondContact O-N 2.97Å
172S42.9Very low47Very low104 Ų104161 Ų16173%0.72778%0.776SS**SBendtrans-118.540.6176.464.40000112.1
173R47.8Very low47.1Very low231 Ų231162 Ų16287%0.87277%0.774SS**SBendtrans-122.4135.3166.9-84.8-169.7167.4-153-4.8109.4
174T54.4Low47.2Very low129 Ų129160 Ų16079%0.79177%0.766SS**PPolyproline II helixtrans-58.5146176.340.60000111.6
175P62.6Low47.4Very low119 Ų119162.5 Ų162.577%0.77377%0.771SS**PPolyproline II helixtrans-70.6131.7173.629.5-33.2000110
176P50.2Low47.4Very low115 Ų115162 Ų16275%0.74778%0.775SS**PPolyproline II helixtrans-73.9128.1172.929.9-32.4000110.1
177R41.1Very low47.2Very low254 Ų254159.6 Ų159.696%0.95878%0.783SS**PPolyproline II helixtrans-66.3132.1160.3-75.5-175.4172.6-170.8-2.2107.9
178H45.2Very low47.2Very low179 Ų179155.5 Ų155.583%0.82979%0.785SS**  trans-129.2145.6170.6-134.4-74.3000110.3
179S39.4Very low46.4Very low92 Ų92150.7 Ų150.764%0.64379%0.785SS**  trans-94.7151.7-161.847.80000115.5
180R43.9Very low46.2Very low239 Ų239146.3 Ų146.390%0.90278%0.784SS**  trans-132.3126.4140.4-64.4-174179.2-174.8-1.4105.1
181V43.6Very low45.9Very low125 Ų125153 Ų15376%0.75880%0.796SS**  66.7110.560.2176.10000108.8
182V47.4Very low45.3Very low127 Ų127146.6 Ų146.677%0.7779%0.787SS**  cis-126.1-171.95.3-66.40000110.5
183D45Very low45.3Very low109 Ų109153.2 Ų153.258%0.58380%0.796SS**  cis-155.7-170.91.3-148.1-13.5000112
184R42.2Very low44.9Very low205 Ų205147.4 Ų147.477%0.77479%0.791SS**  trans21.2135.7144.6-71.8168.5-141.5-125.3-1.5120.2
185L49.6Very low44.4Very low158 Ų158146.4 Ų146.483%0.82779%0.787SS**  cis-137159.412.3-71.4176.2000112.7
186P47.1Very low43.2Very low128 Ų128146.4 Ų146.483%0.83178%0.784SS**  trans-101155.5-179.338.3-33.9000115.4
187G44.3Very low42.7Very low71 Ų71150.2 Ų150.273%0.73279%0.789SS**  trans-135.5152.6168.700000111.5
188P49.5Very low42.6Very low139 Ų139143.9 Ų143.990%0.90378%0.784SS**  trans-97160.1-143.635.7-37.5000117.8
189C34.8Very low42.2Very low126 Ų126146.7 Ų146.785%0.85179%0.787SS**  trans-90.9137.5180178.80000113.6
190S44.7Very low42.3Very low100 Ų100154.5 Ų154.570%0.69980%0.803SS**  trans-174.4152.5158.3-90.40000110.5
191R41.2Very low42Very low228 Ų228148.9 Ų148.986%0.8680%0.8SS**  cis-158.4157.3-15.8-124.7168.8171.3-178.8-3.2109.2
192S34.7Very low42Very low101 Ų101146.2 Ų146.271%0.70680%0.797SS**  trans-48.7141.617644.10000116.8
193R42Very low41.8Very low243 Ų243146.8 Ų146.892%0.91780%0.796SS**  trans-177.7110.3138.5-100.2152.7-169.5-98.23114.2
194S40.5Very low41.6Very low108 Ų108147.6 Ų147.676%0.75580%0.796SS**  trans-77157.7134.356.60000108
195P42.6Very low41.6Very low109 Ų109149.2 Ų149.271%0.70880%0.803SS**  -158.9-179.458.543.5-21.4000118.9
196V38.8Very low41.1Very low118 Ų118151.9 Ų151.972%0.71580%0.802SS**  trans67.6123.2138.4156.10000122
197K38.9Very low40.9Very low196 Ų196152.8 Ų152.885%0.85280%0.804SS**  trans37.1125.3145.7-54.8171.5-171.7171.20120.1
198S40Very low40.6Very low121 Ų121154.3 Ų154.385%0.84680%0.804SS**  -144.2148.4124.8-167.80000111.2
199R36.2Very low40.2Very low237 Ų237158.1 Ų158.189%0.89480%0.8SS**  trans-107140.6169.3-72.7177.3171.8176.7-4.3107.9
200R41.4Very low40.4Very low257 Ų257160.6 Ų160.697%0.9780%0.797SS**  trans-147.5147148.7-116175.7-170.2-130.5-0.6111.4
201S38.2Very low40.2Very low121 Ų121160 Ų16085%0.84679%0.792SS**  trans-128.9153-174.150.80000109.6
202G43.1Very low40.1Very low68 Ų68156.2 Ų156.270%0.70179%0.789SS**  trans131.7148.1171.200000113.4
203N42.2Very low40.2Very low140 Ų140159 Ų15975%0.74979%0.791SS**  cis-155.8155.1-12.3-149.338.7000114.2
204E42.8Very low40.3Very low125 Ų125152.8 Ų152.858%0.58478%0.782SS**  trans1.5136.8163.7-63.9174.691.500122.8
205R41.3Very low40.1Very low240 Ų240153.5 Ų153.591%0.90678%0.778SS**  -161.5119.1111.9-94.6155.9-162-123.83107.6
206R39.8Very low39.8Very low214 Ų214156.2 Ų156.281%0.80878%0.779SS**  41.9129.788.9-65.2-168.5-172.8-1531.5112.6
207V42.7Very low39.6Very low147 Ų147154.6 Ų154.689%0.89177%0.773SS**  cis-130.2161.745177.30000112.9
208S38Very low39.5Very low102 Ų102154.7 Ų154.771%0.71377%0.769SS**  trans-123168.2177.164.50000112.6
209R39.8Very low39.4Very low219 Ų219158.9 Ų158.983%0.82677%0.772SS**  trans177.9130.2135.4-99.8172.1-166.6-149.72.9113.1
210F40Very low39.6Very low178 Ų178152.1 Ų152.178%0.78177%0.767SS**  trans53.5122.6154.2-61.1-63.5000118.9
211S40Very low39.5Very low87 Ų87149 Ų14961%0.60876%0.76SS**  cis101.8138.449.9-83.70000111.7
212D39.9Very low39.5Very low149 Ų149150.2 Ų150.280%0.79775%0.753SS**  cis-151.8166.7-4.9-76.3-39.9000111
213E36.7Very low39.3Very low160 Ų160158.2 Ų158.275%0.74876%0.762SS**  trans-80.8177.9165.8-90.5-81.513000111.1
214P42.7Very low39.2Very low113 Ų113158.7 Ų158.773%0.73476%0.764SS**  cis-151.8155.126.741.9-19.2000122.1
215N36Very low39Very low123 Ų123157.9 Ų157.966%0.65877%0.772SS**  48158.7125.5-144.7-11.1000126.1
216F37.8Very low38.6Very low166 Ų166155.3 Ų155.373%0.72877%0.768SS**  trans93.483.8157.9-74.4-72.7000125.8
217S34.1Very low38.8Very low84 Ų84150 Ų15059%0.58776%0.759SS**  19.6146.1125.3-1660000126.1
218Y35.7Very low38.7Very low197 Ų197150 Ų15077%0.77375%0.754SS**  trans131.3112131.6-67.6-63.8000120.8
219K38.7Very low38.8Very low209 Ų209151.9 Ų151.991%0.90976%0.756SS**  trans54169.1142.8-72.1-70-177.3-176.60122.4
220A41.4Very low38.7Very low96 Ų96143.9 Ų143.979%0.79374%0.742SS**  trans-142.3162.9-161.200000114.8
221K38.2Very low38.9Very low191 Ų191143.4 Ų143.483%0.8374%0.742SS**  trans-160.4171.6150.8-150.5141.1-171.8179.40115.3
222E38.3Very low39.1Very low147 Ų147148.9 Ų148.969%0.68776%0.755SS**  trans-79.4162.4-170.8-48.2125.8100.800115.9
223R40.2Very low39Very low236 Ų236144.9 Ų144.989%0.89175%0.749SS**  -177.4120.7122-100.9160-177150.2-0.9116.9
224D38.9Very low39.3Very low150 Ų150145.4 Ų145.480%0.80276%0.756SS**  60.7150.7126.7-113.3-47.2000125.6
225S39.1Very low39.3Very low107 Ų107146.2 Ų146.275%0.74875%0.754SS**  trans66.3148.4170.578.60000117.1
226F33.7Very low39.5Very low187 Ų187145.5 Ų145.582%0.8276%0.759SS**  cis-154.61470.4-166.8-117.5000110.1
227V42.9Very low39.7Very low103 Ų103143.2 Ų143.262%0.62476%0.758SS**  trans32.8125.1154177.40000118.7
228D40.7Very low39.8Very low147 Ų147148.2 Ų148.279%0.78676%0.764SS**  -160.7-174.578-156.224000116
229D40.3Very low39.9Very low141 Ų141149.7 Ų149.775%0.75477%0.768SS**  trans-43.3162176.5-119.8-115.2000116.5
230G38.1Very low39.9Very low51 Ų51146 Ų14653%0.52675%0.754SS.*  cis172.6-179.86.200000111.6
231H43.7Very low39.8Very low168 Ų168147.5 Ų147.578%0.77875%0.754SS**  trans64.9126177-56.2-100.6000115.8
232K43.8Very low40.2Very low201 Ų201143.7 Ų143.787%0.87475%0.751SS**  48.6123.773.9-59.5-176.2-176.61800112.3
233G39.1Very low40.8Very low66 Ų66146.3 Ų146.368%0.6876%0.76SS**  cis154.4177.79.400000107.9
234L42.1Very low40.6Very low171 Ų171143.5 Ų143.590%0.89576%0.757SS**  trans67.8159.4-178.9-51.2174.7000113.8
235D43.4Very low41Very low130 Ų130142.6 Ų142.670%0.69576%0.756SS**  cis-151.7-168.6-41-140.5-64.1000110.2
236S40.3Very low41.2Very low108 Ų108144.6 Ų144.676%0.75575%0.754SS**  trans-50.8126.6-179.6-59.10000115.7
237V40.1Very low41.4Very low117 Ų117143.7 Ų143.771%0.70975%0.752SS**  trans-93.1103.5165.6178.40000110.5
238R38.3Very low41.3Very low189 Ų189147.4 Ų147.471%0.71376%0.763SS**  trans-74.9125.8163.2168.2178.7170.1180-6.7108.6E240R238-E240 IonicContact CZ-OE1 3.28Å; R238-E240 VanDerWaalsContact CZ-OE1 3.28Å; R238-E240 IonicContact CZ-OE2 3.79Å; R238-E240 IonicContact NE-OE1 3.06Å; R238-E240 PolarHBondContact NE-OE1 3.28Å; R238-E240 IonicContact NE-OE2 3.98Å; R238-E240 VanDerWaalsContact NH2-CD 3.26Å; R238-E240 IonicContact NH2-OE1 2.69Å; R238-E240 PolarHBondContact NH2-OE1 3.27Å; R238-E240 IonicContact NH2-OE2 3.05Å; R238-E240 PolarHBondContact NH2-OE2 3.34Å
239W36.3Very low41.3Very low228 Ų228145.2 Ų145.286%0.86476%0.759SS**  trans-84.2115.1170.2-73.494.8000110.1
240E38.9Very low41.5Very low131 Ų131144.9 Ų144.961%0.61276%0.762SS**  trans-135140168.5-161.4147-74.700107.7R238R238-E240 IonicContact CZ-OE1 3.28Å; R238-E240 VanDerWaalsContact CZ-OE1 3.28Å; R238-E240 IonicContact CZ-OE2 3.79Å; R238-E240 IonicContact NE-OE1 3.06Å; R238-E240 PolarHBondContact NE-OE1 3.28Å; R238-E240 IonicContact NE-OE2 3.98Å; R238-E240 VanDerWaalsContact NH2-CD 3.26Å; R238-E240 IonicContact NH2-OE1 2.69Å; R238-E240 PolarHBondContact NH2-OE1 3.27Å; R238-E240 IonicContact NH2-OE2 3.05Å; R238-E240 PolarHBondContact NH2-OE2 3.34Å
241V40Very low41.9Very low129 Ų129147.4 Ų147.478%0.78277%0.769SS**  trans-119.3103.2-171.9177.60000109.7
242S46.4Very low41.7Very low111 Ų111147.9 Ų147.978%0.77677%0.771SS**  trans-131.8130.9165.2-64.40000108.2
243K51.2Low41.5Very low202 Ų202143.9 Ų143.988%0.87876%0.764SS**  trans-93.4131.5169.2-70-173.9175.7-173.20108.5
244H35.9Very low41.6Very low176 Ų176146.8 Ų146.882%0.81577%0.768SS**  trans-88.8155.6164.2-115.3-104000110.3
245V47.7Very low41.6Very low131 Ų131146.1 Ų146.179%0.79476%0.764SS**  trans-139.8134.4158.5172.80000106.2E247V245-E247 PolarHBondContact O-N 3.18Å
246E41.7Very low41.4Very low150 Ų150147.5 Ų147.570%0.70177%0.766SS**  trans-45.5127.8175-96.484.7120.600113.1
247E38.5Very low41.5Very low167 Ų167149.5 Ų149.578%0.7877%0.768SS**  68.2116.493.2-68.9-164.8133.300116V245V245-E247 PolarHBondContact O-N 3.18Å
248Q39.9Very low41.6Very low181 Ų181152.3 Ų152.385%0.84677%0.774SS**  -168.6142.7105.1-99.5170.824.100113.4
249S41Very low42.1Very low101 Ų101147.5 Ų147.571%0.70677%0.767SS**  trans1.4153.3153.468.70000121
250V45.6Very low42.3Very low134 Ų134142.1 Ų142.181%0.81276%0.76SS**  cis-164.3163.60.8113.30000108.3
251P45.1Very low42.4Very low104 Ų104143 Ų14368%0.67577%0.768SS**  trans-100-161.7-151.840.6-40.6000117.3
252E40.8Very low42.4Very low179 Ų179142 Ų14284%0.83677%0.767SS**  trans83.1140.7170.8-67.1-177.311500116.9
253T39.3Very low42.4Very low116 Ų116141.9 Ų141.971%0.71276%0.764SS**  cis-139.6145.2-2.344.40000113.9
254V40.1Very low42Very low128 Ų128137.2 Ų137.278%0.77675%0.752SS**  trans13.5145.2140.9-149.20000122.1
255I42.3Very low42.2Very low156 Ų156136.8 Ų136.880%0.875%0.751SS**  trans125.5130.6147.5-63.1-179.3000114.8
256E40.2Very low42.1Very low159 Ų159136.5 Ų136.574%0.74375%0.749SS**  trans-73.4148.1-178.7-54.1152.4114.900113.1
257N41.2Very low42.1Very low150 Ų150134.8 Ų134.880%0.80275%0.753SS**  177.5172.199.4-95.6-66.7000114.3
258E42.6Very low42.3Very low176 Ų176134.5 Ų134.582%0.82276%0.757SS**  trans-80.2-176.1-176.5-128.3-149.6119.800113.1
259P48.6Very low42.4Very low89 Ų89129.6 Ų129.658%0.57875%0.748SS**  -125.8-170.6-123.738.9-18.1000113.8
260T42Very low42.5Very low115 Ų115132.9 Ų132.971%0.70675%0.754SS**  165.1159.611940.10000112.5
261N39.7Very low42.2Very low149 Ų149132.2 Ų132.280%0.79776%0.756SS**  trans68105.8157.4-59.2-37.4000120.2
262S40.1Very low42.2Very low107 Ų107133.6 Ų133.675%0.74876%0.761SS**  trans-56.7177.5148.758.90000113.6
263P47.4Very low42.7Very low109 Ų109129.9 Ų129.971%0.70875%0.753SS**  cis-140.1-160.713.230.2-3.7000115.1
264T42.3Very low42.6Very low105 Ų105131.8 Ų131.864%0.64476%0.759SS**  trans119.9113.3136.8-58.30000118.4
265E40.1Very low42.7Very low167 Ų167130.8 Ų130.878%0.7876%0.764SS**  trans58.2112.9146.1-68176.2143.800121.4
266V44.9Very low42.5Very low124 Ų124130 Ų13075%0.75277%0.766SS**  91.5153.174.6-63.30000115.4
267S42.6Very low42.9Very low114 Ų114127.2 Ų127.280%0.79777%0.771SS**  trans83.9144.7172.2-37.60000116.2
268D42.2Very low42.7Very low161 Ų161126.5 Ų126.586%0.86177%0.767SS**  cis-165.4-174.1-27.7-160.4-3.5000108.9
269A42.5Very low43.2Very low79 Ų79125.8 Ų125.865%0.65377%0.767SS**  trans80.391.7154.300000120.7
270M42.2Very low42.7Very low170 Ų170130 Ų13084%0.83778%0.777SS**  39.9121.4119.3-71.2-73.1-163.100121.2
271S39.8Very low42.7Very low120 Ų120131.6 Ų131.684%0.83978%0.78SS**  -172.1154.1108.4-81.20000114.5
272V44.7Very low42.8Very low132 Ų132133.2 Ų133.280%0.878%0.783SS**  trans-123.3-168.4173.5-117.60000107.2
273P52.3Low42.8Very low102 Ų102131.8 Ų131.866%0.66279%0.785SS**  cis-136.41791.440.9-21.4000117
274N37.1Very low42.5Very low156 Ų156135.6 Ų135.683%0.83479%0.793SS**  trans39.4132142.8-61.5-6.8000123.7
275A42Very low42.5Very low106 Ų106135.3 Ų135.388%0.87679%0.793SS**  -152.1148.5129.700000111.2
276T38.2Very low42.2Very low139 Ų139139 Ų13985%0.85380%0.8SS**  trans-119.7142.9-176.4-60.20000111.2
277A48.2Very low42Very low101 Ų101138.5 Ų138.584%0.83580%0.802SS**  trans-150.8138.9159.500000111.1
278D37.1Very low41.9Very low135 Ų135139.7 Ų139.772%0.72281%0.805SS**  trans-140128.3179.7179.30.9000108.3
279I52.6Low42.1Very low162 Ų162138.5 Ų138.583%0.83180%0.803SS**  trans-141.6114.7175.7-59.8-175.5000110.9
280F39Very low42Very low177 Ų177142.8 Ų142.878%0.77681%0.809SS**  trans-75.2141167-108.9-113.8000112.3
281L41.6Very low42Very low149 Ų149140.6 Ų140.678%0.7881%0.808SS**  -176.8161.2117.8-124.770.1000116.4
282Q41.7Very low42Very low183 Ų183143.4 Ų143.486%0.85581%0.813SS**  trans-47159.4-178.8-60.8161.77.400119.5
283G40.1Very low41.6Very low76 Ų76142.6 Ų142.678%0.78481%0.813SS**  trans-158.74.4-18000000122.7
284Q41Very low40.9Very low189 Ų189147.2 Ų147.288%0.88382%0.817SS**  trans64.5158.8174.3-69.5-73-1700119.7
285P41.6Very low41Very low99 Ų99149 Ų14964%0.64381%0.812SS**  trans-128170.3-178.742.6-28.8000115.8
286R35.1Very low40.8Very low244 Ų244151.4 Ų151.492%0.92181%0.805SS**  trans153.4133136.7-87.6167.9-179.5-161.41.4113.5
287S39.5Very low40.6Very low115 Ų115152.4 Ų152.480%0.80481%0.805SS**  -162.2142.9125.261.20000111.3
288T41.1Very low40.2Very low138 Ų138154.1 Ų154.185%0.84781%0.806SS**  trans-144.1131.9172.2-550000106.7
289V45.8Very low40.2Very low137 Ų137153.6 Ų153.683%0.8381%0.807SS**  trans-125.4131.9179.9-1770000109.6
290Q41.8Very low39.5Very low168 Ų168152 Ų15279%0.78581%0.809SS**  trans-105.6153.9175.8-66.8-168.219.900111.3
291P41.3Very low39.5Very low124 Ų124150.2 Ų150.281%0.80581%0.807SS**  trans-75146168.132.6-34.3000111.3
292L40.1Very low39.2Very low180 Ų180149.7 Ų149.794%0.94281%0.805SS**  trans-121.7138.1-177.2-159.876.5000111.5
293S35.9Very low39Very low114 Ų114146.6 Ų146.680%0.79780%0.804SS**  trans-123.6127.2-171.3-54.90000113.5
294R38.7Very low39.3Very low200 Ų200148.5 Ų148.576%0.75580%0.803SS**  trans-168145.2169.4-139.7178.8-85.8-156-2.6106.9
295W39Very low39.2Very low192 Ų192150 Ų15073%0.72781%0.807SS**  cis-146136.628.2-67.681.5000110.8
296Q38Very low39.1Very low158 Ų158152.6 Ų152.674%0.73881%0.814SS**  65.3102.8102.4-61.6-168.3-17.600120.3
297N32.4Very low39.3Very low159 Ų159148.9 Ų148.985%0.8581%0.807SS**  trans7141146.7-61.8-34.5000123.8
298T40.3Very low39.2Very low138 Ų138153.8 Ų153.885%0.84781%0.808SS**  -161.4118.3121.722.20000115
299V38.4Very low39.3Very low124 Ų124154.4 Ų154.475%0.75281%0.805SS**  trans14.5131.5147.6-145.90000122.3
300C37.3Very low39.2Very low129 Ų129153 Ų15387%0.87280%0.798SS**  171.7133.3117.3-96.20000118.1
301N38.5Very low39.2Very low138 Ų138153.7 Ų153.774%0.73880%0.802SS**  trans-68.8150-168.6-75-38.5000121.2
302N36.2Very low39.5Very low138 Ų138156.6 Ų156.674%0.73881%0.806SS**  trans49.3118.8130.3-53.5-28.2000123.5
303S37.5Very low39.7Very low119 Ų119155 Ų15583%0.83280%0.799SS**  173.6159.3101.8-77.60000114.3
304P46Very low39.8Very low115 Ų115159.9 Ų159.975%0.74780%0.801SS**  trans-112.9154.1-168.739.9-31.4000116.3
305F38.7Very low39.8Very low221 Ų221157.5 Ų157.597%0.96980%0.804SS**  trans-141.8150.6159.2-93.1-81.3000112.1
306L39.6Very low40Very low154 Ų154154 Ų15481%0.80681%0.806SS**  trans-90.1143.5-176.5-63.9165.8000112.1
307H40.2Very low40.4Very low165 Ų165155.3 Ų155.376%0.76481%0.814SS**  175.4146.3115.6-101.285000116.9
308R35.3Very low40.8Very low218 Ų218156.9 Ų156.982%0.82381%0.808SS**  trans81.8131.3142.8-162.4173.4-57.7-138.5-0.3120.6
309I43.3Very low40.5Very low152 Ų152157.1 Ų157.178%0.77980%0.797SS**PPolyproline II helixtrans-101.7142.4173.1-60.1160.4000109.8
310P45.3Very low41Very low108 Ų108157.1 Ų157.170%0.70180%0.8SS**PPolyproline II helixtrans-99.2140.4157.635-27.8000112
311Q40.2Very low41.1Very low182 Ų182157.7 Ų157.785%0.8579%0.79SS**PPolyproline II helixtrans-90.1149.3159.3-65.6-173.8-65.300109.1
312M49Very low41.3Very low184 Ų184159 Ų15991%0.90680%0.797SS**  trans-133.3155.6160.2-77.1-60.3156.400111.1
313N43.5Very low41.5Very low146 Ų146157.3 Ų157.378%0.78179%0.788SS**  trans-109.3154-167.9-171.628.2000111.2
314Y38.5Very low41.7Very low217 Ų217162 Ų16285%0.85179%0.789SS**  trans-76.1140174.1-82-95.9000111.7
315N39.4Very low41.4Very low151 Ų151160 Ų16081%0.80779%0.789SS**  trans-155.6146.6149.9-108.1-35000109.2
316P42.8Very low41.8Very low119 Ų119156.7 Ų156.777%0.77378%0.781SS**  trans-85142.6-171.733.2-34.4000112.9
317M46Very low42.1Very low184 Ų184158 Ų15891%0.90679%0.785SS**  trans-88151.8165.2-81.8-71.9-78.400110.9
318R40Very low42.2Very low193 Ų193153.4 Ų153.473%0.72878%0.782SS**  trans-134.4161.6-179.6-137.3-167.1-163.5-110.89.1108.9
319F35.6Very low42.7Very low142 Ų142150.7 Ų150.762%0.62378%0.783SS**  trans70160.4166.9-69.8-53.2000115.4
320P47Very low42.5Very low125 Ų125148.9 Ų148.981%0.81278%0.783SS**  cis-116.8172.520.341.9-30.6000117.8
321Q39.7Very low42.2Very low141 Ų141150.5 Ų150.566%0.65979%0.792SS**  trans-80.9159.7167.8-66.6156.7-111.200111.3
322N43.8Very low42.1Very low166 Ų166147.2 Ų147.289%0.88879%0.788SS**  trans-157.1160132-105.1-21000110.9
323N39.8Very low41.7Very low102 Ų102144.1 Ų144.155%0.54578%0.78SS.*  trans-102.5156.6-169.2-61.4-29.4000112.6
324Y41.1Very low41.3Very low216 Ų216146.9 Ų146.985%0.84779%0.786SS**  151.7125.4110.2-80.4-61.4000114.6
325G40.4Very low42.1Very low73 Ų73142 Ų14275%0.75378%0.781SS**  trans81.8158.915700000118.4
326L46.9Very low42Very low153 Ų153141.4 Ų141.480%0.80179%0.788SS**  cis-168.8138.5-22-127.4173.5000109.6
327M45.9Very low42Very low181 Ų181139 Ų13989%0.89278%0.784SS**  trans61.2148.1178.3-63.2137.177.100113.3
328G43.6Very low41.9Very low68 Ų68137.2 Ų137.270%0.70178%0.784SS**  cis135.8145.133.100000104.7
329I45.3Very low42.2Very low162 Ų162135 Ų13583%0.83179%0.785SS**  cis-158.1166.919.847.2172000110.9
330S39.1Very low43Very low113 Ų113133.5 Ų133.579%0.7979%0.79SS**  trans54.6105.1151.8-57.80000121.4
331T38.4Very low43.3Very low143 Ų143138 Ų13888%0.87779%0.792SS**  trans-77.3133.3149.949.30000111.3
332S38.1Very low44.3Very low112 Ų112137.1 Ų137.178%0.78380%0.798SS**  trans-164.8157.8151.9-147.30000115.3
333T39.9Very low44.1Very low119 Ų119135.1 Ų135.173%0.7380%0.798SS**  trans50.9110.5157.3-49.70000120.4
334F37Very low44.9Very low205 Ų205134.5 Ų134.590%0.89981%0.807SS**PPolyproline II helixtrans-78.1137.5151-73.1-96.1000110.8
335P54.4Low45.6Very low115 Ų115130.4 Ų130.475%0.74781%0.806SS**PPolyproline II helixtrans-9913715534-28000111.3G337P335-G337 PolarHBondContact O-N 3.06Å
336S37.9Very low46.2Very low137 Ų137135.3 Ų135.396%0.95881%0.812SS**PPolyproline II helixtrans-72.6123.6167.1-68.10000110
337G43.2Very low47.2Very low68 Ų68133.1 Ų133.170%0.70181%0.807SS**  trans-127.5113.2177.100000111.7P335P335-G337 PolarHBondContact O-N 3.06Å
338V43.1Very low47.3Very low148 Ų148129.6 Ų129.690%0.89780%0.798SS**  trans-72.8127.7171.8-84.70000110.3
339I46Very low47.5Very low145 Ų145133.1 Ų133.174%0.74480%0.8SS**  trans-102.5115.1173-59.8177.2000108.4
340P52.9Low47.7Very low112 Ų112135.5 Ų135.573%0.72781%0.805SS**PPolyproline II helixtrans-73.8132.4169.130.4-32.1000109.9
341Y52.1Low48.3Very low219 Ų219138.5 Ų138.586%0.85981%0.809SS**PPolyproline II helixtrans-80.4124.4170.5-75.4-85.9000109.7S343Y341-S343 PolarHBondContact O-N 3.12Å
342P61.8Low48.8Very low123 Ų123140 Ų14080%0.79981%0.806SS**PPolyproline II helixtrans-70.1127.9175.328.2-33.4000110.7
343S39.6Very low50Low124 Ų124139.8 Ų139.887%0.86780%0.801SS**PPolyproline II helixtrans-73.7130.1172.651.30000111.1Y341Y341-S343 PolarHBondContact O-N 3.12Å
344A56.6Low51.1Low89 Ų89139.2 Ų139.274%0.73680%0.8SS**  trans-119.3144.3171.500000110.8
345P54.7Low52.1Low130 Ų130135 Ų13584%0.84479%0.793SS**PPolyproline II helixtrans-79.8154.6-169.8-12.129.8000113.7
346M54.8Low52.3Low175 Ų175137.4 Ų137.486%0.86280%0.799SS**PPolyproline II helixtrans-90.7143.3169.8-71.2-155.172.100112.3
347P66.8Low52.8Low108 Ų108138.7 Ų138.770%0.70179%0.793SS**PPolyproline II helixtrans-76.3147.7161.233.2-33.3000110.9
348P49Very low53.6Low107 Ų107141.6 Ų141.670%0.69580%0.797SS**PPolyproline II helixtrans-81.3170.1176.333.7-35.5000113
349N47.9Very low53.9Low142 Ų142139.5 Ų139.576%0.75979%0.786SS**  trans74.5107.7176-49.2-68000116.6
350F48.7Very low53.6Low212 Ų212144.2 Ų144.293%0.9380%0.795SS**  -157.1148.2110-109.3-72.4000110.8
351M52.2Low53.4Low176 Ų176146.5 Ų146.587%0.86780%0.8SS**PPolyproline II helixtrans-63.1144-161.9-64.6-101.977.100115.6
352Q47.5Very low52.6Low174 Ų174141.1 Ų141.181%0.81380%0.795SS**PPolyproline II helixtrans-74.4128.5172.5171-176.9-23.900111.6
353P64.1Low51.8Low107 Ų107142.1 Ų142.170%0.69580%0.798SS**PPolyproline II helixtrans-78.7146.4168.832-33.4000111.6
354P61.9Low51.7Low108 Ų108141.4 Ų141.470%0.70179%0.789SS**PPolyproline II helixtrans-75.5154.5-178.330.9-35.7000113L356P354-L356 PolarHBondContact O-N 3.04Å
355P58.5Low50.7Low116 Ų116145.1 Ų145.175%0.75379%0.793SS**PPolyproline II helixtrans-73.7124.8176.630.3-33.7000111.4I357P355-I357 PolarHBondContact O-N 3.09Å
356L58.7Low50.2Low166 Ų166146.5 Ų146.587%0.86979%0.793SS**PPolyproline II helixtrans-74.7120.9174.1-70.7176.1000111.2P354P354-L356 PolarHBondContact O-N 3.04Å
357I49.1Very low49.6Very low164 Ų164143.7 Ų143.784%0.84179%0.787SS**PPolyproline II helixtrans-69.5131.2176.6-64.3165.4000109.4P355P355-I357 PolarHBondContact O-N 3.09Å
358V59.5Low48.2Very low129 Ų129142.1 Ų142.178%0.78279%0.791SS**  trans-101.9114.7178.7-164.90000109.4R360V358-R360 PolarHBondContact O-N 2.93Å
359P49.4Very low48Very low103 Ų103142 Ų14267%0.66980%0.799SS**  trans-71.2127.5179.828-33.4000110.9
360R39.6Very low47.3Very low245 Ų245142.9 Ų142.993%0.92580%0.804SS**  trans-81.3115.2164.3-74.1-173176.7-176.10.8108.7V358V358-R360 PolarHBondContact O-N 2.93Å
361L49.6Very low46.9Very low160 Ų160138.2 Ų138.284%0.83880%0.797SS**  trans-92113.7167.3-67.9178.7000109.9
362S35.6Very low46.3Very low106 Ų106135.8 Ų135.874%0.74179%0.792SS**  trans-68.5156.7161.4-57.60000109.9
363T43.6Very low46.1Very low143 Ų143137 Ų13788%0.87780%0.795SS**  trans-139.4133.4169-63.80000109
364T38.3Very low45.3Very low110 Ų110137.8 Ų137.868%0.67580%0.8SS**  trans-136.5108.1-152.7-54.50000111.4
365M35.6Very low44.5Very low166 Ų166136.3 Ų136.382%0.81881%0.805SS**  trans69.5165.5149.4-57-65.8-17800121.4
366L43.8Very low43.6Very low159 Ų159140.3 Ų140.383%0.83281%0.813SS**  trans78.9157.9159.9-64155.8000117.5
367P42.1Very low42.9Very low116 Ų116137.8 Ų137.875%0.75381%0.808SS**  -141.9173-69.837.2-18.3000116.7
368G38.6Very low42.7Very low76 Ų76136.9 Ų136.978%0.78480%0.802SS**  trans84.7172.1153.200000117.7
369A43.3Very low41.9Very low103 Ų103139 Ų13985%0.85180%0.803SS**  cis-161.5150.2-22.400000110.3
370N34Very low41.7Very low162 Ų162139.9 Ų139.987%0.86681%0.812SS**  trans-46.3147.9-175.2-49-34.3000117.5
371S40.2Very low42.5Very low113 Ų113134.6 Ų134.679%0.7981%0.807SS**  147.4171103.9-159.10000116.1
372V39.7Very low42.4Very low125 Ų125132.8 Ų132.876%0.75881%0.805SS**  trans74.688.7163.5-164.60000119.3
373F42.3Very low43.1Very low201 Ų201133.8 Ų133.888%0.88281%0.812SS**  trans-71.5159.9139-99.2-79.3000109.6
374P49.1Very low43.7Very low123 Ų123135.2 Ų135.280%0.79981%0.81SS**  -152.3-177.465.240.9-19.6000117.1
375G44.4Very low44.3Very low77 Ų77135.9 Ų135.979%0.79482%0.817SS**  trans165.174.5170.400000115.2
376Q39.4Very low45.1Very low199 Ų199136.4 Ų136.493%0.9382%0.819SS**  trans-117.9149.4165.5-71-171.95.200110.2
377C43.7Very low45.7Very low114 Ų114135.6 Ų135.677%0.7782%0.821SS**  trans-150.7128.8166.251.50000113.1
378M44.7Very low46.5Very low144 Ų144138.4 Ų138.471%0.70983%0.826SS**  trans54.2107.5149.2-53-54.499.100118.4
379Q43.1Very low47Very low173 Ų173141 Ų14181%0.80883%0.832SS**  86.3124.271.5-82.2-176.28.400114.3
380S45.7Very low47.4Very low122 Ų122139.6 Ų139.685%0.85383%0.827SS**  trans-153136.4159.558.50000109.5
381V56.3Low48.4Very low134 Ų134138.4 Ų138.481%0.81283%0.829SS**  trans-87.8160.7-168.5-71.30000113.9
382P46.5Very low48.7Very low123 Ų123136.4 Ų136.480%0.79983%0.826SS**  trans-81.3160-178.533.9-37.1000113.6
383S50.2Low49.3Very low127 Ų127140 Ų14089%0.88883%0.832SS**  trans-137.5150.2171.3-77.60000112
384M56.7Low49.8Very low172 Ų172137.7 Ų137.785%0.84782%0.824SS**  trans-72.2154.8-166.4-57.5-73.2-95.300114.6
385P50.9Low49.7Very low124 Ų124136.8 Ų136.881%0.80582%0.816SS**  trans-76.2138.6160.333.2-32.5000111
386M51.9Low49.8Very low177 Ų177140.9 Ų140.987%0.87282%0.82SS**  trans-138119.9167.7-89-81.2-99.600108.3
387V57.9Low50.2Low143 Ų143138.1 Ų138.187%0.86782%0.817SS**  trans-140.2133.4163.966.70000107.9
388M57.5Low51.1Low175 Ų175140.4 Ų140.486%0.86282%0.821SS**  trans-90.3145.3-170.5-66.3169.461.700111.7
389S49.8Very low52.4Low129 Ų129138.7 Ų138.790%0.90282%0.82SS**  trans-106.6132.9162.6-63.90000109
390G51.6Low54Low74 Ų74136.2 Ų136.276%0.76382%0.819SS**  trans159116.8178.100000111.9
391P54.4Low55.5Low138 Ų138135.9 Ų135.990%0.89681%0.814SS**  trans-97.7160.6-168.737-35.2000114.3
392G46.6Very low56.6Low71 Ų71135 Ų13573%0.73281%0.811SS**  trans-145.3124.7172.300000112.3
393F53.6Low58.2Low201 Ų201134.7 Ų134.788%0.88281%0.809SS**  trans-38.4159.9163.4-47.8-86.1000114
394Q51.1Low59.6Low152 Ų152134.1 Ų134.171%0.7180%0.802SS**  cis-173.8162-7.5-106.5-87.86400105.7
395T47.3Very low60.7Low104 Ų104131.4 Ų131.464%0.63880%0.797SS**  trans26.4108.3155.757.60000120.3
396N46.4Very low62.1Low162 Ų162131 Ų13187%0.86680%0.795SS**  -162153.3111.7-100.7-22.4000111.9
397T48.9Very low63.4Low141 Ų141128.1 Ų128.187%0.86579%0.789SS**  trans-82.5128.3-164.943.50000113.7
398L61.7Low64.4Low163 Ų163126.6 Ų126.685%0.85378%0.782SS**  trans-124.2147.1163.8-82.4163.1000108.7
399P72.6Confident65.3Low108 Ų108123.5 Ų123.570%0.70178%0.775SS**PPolyproline II helixtrans-67.3153.3-177.428.5-35.1000111.8
400P75.6Confident66.4Low121 Ų121121.1 Ų121.179%0.78676%0.757SS**PPolyproline II helixtrans-64139-17826.6-34.7000111.5
401P78.1Confident67.2Low115 Ų115122.2 Ų122.275%0.74775%0.749SS**PPolyproline II helixtrans-65.7152171.929.2-34.6000110.6
402P79.1Confident67.4Low115 Ų115123.2 Ų123.275%0.74774%0.739SS**PPolyproline II helixtrans-61.5150.5175.327.4-35000111.1
403P79.8Confident68.1Low116 Ų116122.9 Ų122.975%0.75373%0.73SS**PPolyproline II helixtrans-60.3143.2-179.725.6-34.6000111
404P79.8Confident68.4Low115 Ų115119.7 Ų119.775%0.74772%0.717SS**PPolyproline II helixtrans-62.2145177.727.1-34.5000110.5
405P79.5Confident68.7Low115 Ų115119.2 Ų119.275%0.74772%0.715SS**PPolyproline II helixtrans-60.9146.5175.427.1-34.5000110.3
406P80.2Confident69.2Low116 Ų116120.9 Ų120.975%0.75372%0.718SS**PPolyproline II helixtrans-59.1146.6178.525.8-34.6000110.7
407P80Confident69.5Low116 Ų116121 Ų12175%0.75371%0.713SS**PPolyproline II helixtrans-59142.8178.525.6-34.2000110.2
408P78.8Confident69.3Low112 Ų112117.7 Ų117.773%0.72770%0.699SS**PPolyproline II helixtrans-59.7144.2176.226.8-34.4000109.8
409P77.1Confident68.6Low109 Ų109115.1 Ų115.171%0.70869%0.693SS**PPolyproline II helixtrans-57.2146.1176.525.1-34.2000110.1T411P409-T411 PolarHBondContact O-N 2.99Å; P409-T411 VanDerWaalsContact O-N 3.08Å
410P72.3Confident67.5Low79 Ų79115 Ų11551%0.51370%0.701SS.*PPolyproline II helixtrans-55.1121.9-177.422.9-33.7000109.4Q414P410-Q414 HydrophobicContact CB-CB 4.3Å
411T67.7Low66.5Low97 Ų97111.8 Ų111.860%0.59568%0.681SS**PPolyproline II helixtrans-60.2145.2178.3-69.50000108.8P409 A413 Q414 Q415P409-T411 PolarHBondContact O-N 2.99Å; P409-T411 VanDerWaalsContact O-N 3.08Å; T411-A413 HydrophobicContact CG2-CB 4.45Å; T411-A413 CarbonylContact O-C 3.48Å; T411-A413 PolarHBondContact O-N 3.28Å; T411-Q414 WeakPolarHBondContact O-CA 3.46Å; T411-Q414 WeakPolarHBondContact O-CB 3.46Å; T411-Q414 PolarHBondContact O-N 3.43Å; T411-Q415 PolarHBondContact O-N 2.9Å
412F58.8Low65.9Low159 Ų159110.9 Ų110.970%0.69767%0.67SS**Hα-helixtrans-45.2-34.5-176.4-177.7-102.1000114.1Q415 M416F412-Q415 PolarHBondContact O-N 3.25Å; F412-M416 HydrophobicContact CD1-CG 4.21Å; F412-M416 HydrophobicContact CE1-CG 3.89Å; F412-M416 HydrophobicContact CE1-SD 4.5Å; F412-M416 HydrophobicContact CE2-CG 4.41Å; F412-M416 HydrophobicContact CZ-CG 4Å; F412-M416 HydrophobicContact CZ-SD 4.11Å; F412-M416 WeakPolarHBondContact O-CB 3.46Å; F412-M416 VanDerWaalsContact O-CG 3.25Å; F412-M416 WeakPolarHBondContact O-CG 3.45Å; F412-M416 PolarHBondContact O-N 2.83Å
413A61.5Low65.9Low65 Ų65111.6 Ų111.654%0.53767%0.667SS.*Hα-helixtrans-60.7-40.517300000114.8T411 M416 Q417T411-A413 HydrophobicContact CG2-CB 4.45Å; T411-A413 CarbonylContact O-C 3.48Å; T411-A413 PolarHBondContact O-N 3.28Å; A413-M416 PolarHBondContact O-N 3.06Å; A413-Q417 PolarHBondContact O-N 3.32Å
414Q59.9Low65.9Low133 Ų133110.8 Ų110.862%0.62166%0.656SS**Hα-helixtrans-70.9-38.7174.7-73.5178.5-25.600111.7P410 T411 M416 Q417P410-Q414 HydrophobicContact CB-CB 4.3Å; T411-Q414 WeakPolarHBondContact O-CA 3.46Å; T411-Q414 WeakPolarHBondContact O-CB 3.46Å; T411-Q414 PolarHBondContact O-N 3.43Å; Q414-M416 PolarHBondContact O-N 3.19Å; Q414-Q417 WeakPolarHBondContact O-CA 3.15Å; Q414-Q417 PolarHBondContact O-N 2.67Å
415Q57.7Low65.8Low142 Ų142109.7 Ų109.766%0.66464%0.641SS**Hα-helixtrans-66.7-27.4176.7-167.1171.52.400112.2T411 F412 Q417T411-Q415 PolarHBondContact O-N 2.9Å; F412-Q415 PolarHBondContact O-N 3.25Å; Q415-Q417 VanDerWaalsContact C-N 3.27Å
416M57.5Low65.7Low140 Ų140108 Ų10869%0.6963%0.628SS**THydrogen-bonded Turntrans-80.51.2169.7-68.6-68.3-64.900114F412 A413 Q414F412-M416 HydrophobicContact CD1-CG 4.21Å; F412-M416 HydrophobicContact CE1-CG 3.89Å; F412-M416 HydrophobicContact CE1-SD 4.5Å; F412-M416 HydrophobicContact CE2-CG 4.41Å; F412-M416 HydrophobicContact CZ-CG 4Å; F412-M416 HydrophobicContact CZ-SD 4.11Å; F412-M416 WeakPolarHBondContact O-CB 3.46Å; F412-M416 VanDerWaalsContact O-CG 3.25Å; F412-M416 WeakPolarHBondContact O-CG 3.45Å; F412-M416 PolarHBondContact O-N 2.83Å; A413-M416 PolarHBondContact O-N 3.06Å; Q414-M416 PolarHBondContact O-N 3.19Å
417Q53.5Low65.8Low165 Ų165107.1 Ų107.177%0.77162%0.617SS**THydrogen-bonded Turntrans-119.324.5-178.9-161.9162-9.100112.9A413 Q414 Q415A413-Q417 PolarHBondContact O-N 3.32Å; Q414-Q417 WeakPolarHBondContact O-CA 3.15Å; Q414-Q417 PolarHBondContact O-N 2.67Å; Q415-Q417 VanDerWaalsContact C-N 3.27Å
418A44.4Very low65.7Low70 Ų70103 Ų10358%0.57959%0.588SS**SBendtrans-67.6150.3160.200000110.7
419P46.7Very low65.8Low110 Ų110101.3 Ų101.371%0.71458%0.579SS**  trans-63.5137.7-179.126-34.5000112S421P419-S421 PolarHBondContact O-N 3.05Å; P419-S421 VanDerWaalsContact O-N 3.07Å
420A50.2Low66.1Low106 Ų106105.3 Ų105.388%0.87658%0.58SS**THydrogen-bonded Turntrans-79.116.7-170.500000115.3
421S55.2Low66.4Low52 Ų52104.7 Ų104.736%0.36458%0.581SS.*THydrogen-bonded Turntrans-71.7-43.3-173.840.70000113.6P419 L423P419-S421 PolarHBondContact O-N 3.05Å; P419-S421 VanDerWaalsContact O-N 3.07Å; S421-L423 PolarHBondContact O-N 3.5Å
422N63.5Low66.9Low96 Ų96103.5 Ų103.551%0.51359%0.588SS.*Hα-helixtrans-84-9-154.7-59.310.7000115T426N422-T426 VanDerWaalsContact O-CB 3.24Å; N422-T426 WeakPolarHBondContact O-CB 3.39Å; N422-T426 PolarHBondContact O-N 3.05Å; N422-T426 PolarHBondContact O-OG1 3Å
423L80.7Confident67.8Low130 Ų13099.3 Ų99.368%0.68157%0.573SS**Hα-helixtrans-69.8-46.9179.8-177.769.4000111.7S421 T426 L427S421-L423 PolarHBondContact O-N 3.5Å; L423-T426 PolarHBondContact O-N 3.36Å; L423-L427 HydrophobicContact CG-CD1 4.21Å; L423-L427 WeakPolarHBondContact O-CG 3.31Å; L423-L427 PolarHBondContact O-N 3.3Å
424L78.9Confident68.5Low100 Ų100100.3 Ų100.352%0.52457%0.574SS.*Hα-helixtrans-65.5-45.1-179.7178.960.8000110.5T426 L427 M428 L438L424-T426 VanDerWaalsContact C-N 3.35Å; L424-T426 PolarHBondContact O-N 3.41Å; L424-L427 PolarHBondContact O-N 3.15Å; L424-L427 VanDerWaalsContact O-N 3.14Å; L424-M428 HydrophobicContact CD1-CG 4.29Å; L424-M428 HydrophobicContact CD1-SD 4.1Å; L424-M428 HydrophobicContact CD2-SD 4.49Å; L424-M428 HydrophobicContact CG-SD 3.93Å; L424-M428 WeakPolarHBondContact O-CB 3.47Å; L424-M428 WeakPolarHBondContact O-CG 3.33Å; L424-M428 PolarHBondContact O-N 3.28Å; L424-L438 HydrophobicContact CD2-CD1 4.1Å; L424-L438 HydrophobicContact CG-CD1 4.33Å
425E77Confident68.7Low91 Ų9195.3 Ų95.343%0.42555%0.553SS.*Hα-helixtrans-60.3-42.8176.2-164.4179.8150.800111.6L427 M428 S429E425-L427 VanDerWaalsContact C-N 3.35Å; E425-L427 PolarHBondContact O-N 3.34Å; E425-M428 PolarHBondContact O-N 2.89Å; E425-S429 VanDerWaalsContact O-CB 3.26Å; E425-S429 WeakPolarHBondContact O-CB 3.47Å; E425-S429 PolarHBondContact O-N 2.87Å; E425-S429 PolarHBondContact O-OG 3.43Å
426T77.7Confident68.8Low79 Ų7994.8 Ų94.849%0.48556%0.555SS.*Hα-helixtrans-61.2-41.3173.4-620000112N422 L423 L424 R430N422-T426 VanDerWaalsContact O-CB 3.24Å; N422-T426 WeakPolarHBondContact O-CB 3.39Å; N422-T426 PolarHBondContact O-N 3.05Å; N422-T426 PolarHBondContact O-OG1 3Å; L423-T426 PolarHBondContact O-N 3.36Å; L424-T426 VanDerWaalsContact C-N 3.35Å; L424-T426 PolarHBondContact O-N 3.41Å; T426-R430 WeakPolarHBondContact O-CB 3.4Å; T426-R430 PolarHBondContact O-N 3.21Å
427L83.3Confident68.8Low98 Ų9892.6 Ų92.651%0.51355%0.55SS..Hα-helixtrans-69.9-40.5178.6-72.3170.3000112L423 L424 E425 R430 A431L423-L427 HydrophobicContact CG-CD1 4.21Å; L423-L427 WeakPolarHBondContact O-CG 3.31Å; L423-L427 PolarHBondContact O-N 3.3Å; L424-L427 PolarHBondContact O-N 3.15Å; L424-L427 VanDerWaalsContact O-N 3.14Å; E425-L427 VanDerWaalsContact C-N 3.35Å; E425-L427 PolarHBondContact O-N 3.34Å; L427-R430 CarbonylContact O-C 3.48Å; L427-R430 PolarHBondContact O-N 2.86Å; L427-A431 VanDerWaalsContact O-CB 3.3Å; L427-A431 WeakPolarHBondContact O-CB 3.27Å; L427-A431 PolarHBondContact O-N 2.88Å
428M78.7Confident68.9Low31 Ų3187.5 Ų87.515%0.15353%0.527CS..Hα-helixtrans-65.9-46.2176-74.617659.900111.6L424 E425 R430 A431 G432 L433 P434 L438L424-M428 HydrophobicContact CD1-CG 4.29Å; L424-M428 HydrophobicContact CD1-SD 4.1Å; L424-M428 HydrophobicContact CD2-SD 4.49Å; L424-M428 HydrophobicContact CG-SD 3.93Å; L424-M428 WeakPolarHBondContact O-CB 3.47Å; L424-M428 WeakPolarHBondContact O-CG 3.33Å; L424-M428 PolarHBondContact O-N 3.28Å; E425-M428 PolarHBondContact O-N 2.89Å; M428-R430 VanDerWaalsContact C-N 3.27Å; M428-R430 PolarHBondContact O-N 3.32Å; M428-A431 CarbonylContact O-C 3.59Å; M428-A431 PolarHBondContact O-N 2.9Å; M428-G432 PolarHBondContact O-N 3.4Å; M428-G432 VanDerWaalsContact O-N 3.12Å; M428-L433 HydrophobicContact CB-CB 4.05Å; M428-L433 HydrophobicContact CE-CB 4.35Å; M428-L433 HydrophobicContact CG-CB 4.31Å; M428-L433 HydrophobicContact CG-CD1 4.15Å; M428-L433 PolarHBondContact O-N 3.26Å; M428-P434 WeakPolarHBondContact CE-O 3.35Å; M428-L438 HydrophobicContact CE-CD1 4.19Å; M428-L438 HydrophobicContact SD-CD1 3.7Å
429S79.9Confident69.4Low76 Ų7687.9 Ų87.953%0.53153%0.526SS..Hα-helixtrans-56.7-41.8172.9-60.60000111.5E425 A431 G432E425-S429 VanDerWaalsContact O-CB 3.26Å; E425-S429 WeakPolarHBondContact O-CB 3.47Å; E425-S429 PolarHBondContact O-N 2.87Å; E425-S429 PolarHBondContact O-OG 3.43Å; S429-A431 VanDerWaalsContact C-N 3.27Å; S429-A431 PolarHBondContact O-N 3.36Å; S429-G432 PolarHBondContact O-N 3.15Å
430R82.8Confident69.7Low192 Ų19288.4 Ų88.473%0.72552%0.522SS*.Hα-helixtrans-74.9-14.2178.3-162.3176.7-162.687.815.5113.9T426 L427 M428T426-R430 WeakPolarHBondContact O-CB 3.4Å; T426-R430 PolarHBondContact O-N 3.21Å; L427-R430 CarbonylContact O-C 3.48Å; L427-R430 PolarHBondContact O-N 2.86Å; M428-R430 VanDerWaalsContact C-N 3.27Å; M428-R430 PolarHBondContact O-N 3.32Å
431A79.7Confident69.9Low66 Ų6690.4 Ų90.455%0.54552%0.518SS..THydrogen-bonded Turntrans-103.24.6176.500000113.2L427 M428 S429 L433L427-A431 VanDerWaalsContact O-CB 3.3Å; L427-A431 WeakPolarHBondContact O-CB 3.27Å; L427-A431 PolarHBondContact O-N 2.88Å; M428-A431 CarbonylContact O-C 3.59Å; M428-A431 PolarHBondContact O-N 2.9Å; S429-A431 VanDerWaalsContact C-N 3.27Å; S429-A431 PolarHBondContact O-N 3.36Å; A431-L433 HydrophobicContact CB-CD1 4.11Å; A431-L433 HydrophobicContact CB-CG 4.08Å; A431-L433 PolarHBondContact O-N 3.11Å
432G78.2Confident69.6Low72 Ų7293.8 Ų93.874%0.74253%0.532SS*.THydrogen-bonded Turntrans69.616.4-177.200000114.4M428 S429M428-G432 PolarHBondContact O-N 3.4Å; M428-G432 VanDerWaalsContact O-N 3.12Å; S429-G432 PolarHBondContact O-N 3.15Å
433L77.7Confident68.6Low71 Ų7196.3 Ų96.337%0.37254%0.544SS..  trans-84.4139.7-177.9-65.4173.7000111.1M428 A431 C435M428-L433 HydrophobicContact CB-CB 4.05Å; M428-L433 HydrophobicContact CE-CB 4.35Å; M428-L433 HydrophobicContact CG-CB 4.31Å; M428-L433 HydrophobicContact CG-CD1 4.15Å; M428-L433 PolarHBondContact O-N 3.26Å; A431-L433 HydrophobicContact CB-CD1 4.11Å; A431-L433 HydrophobicContact CB-CG 4.08Å; A431-L433 PolarHBondContact O-N 3.11Å; L433-C435 PolarHBondContact O-N 2.93Å; L433-C435 PolarHBondContact O-SG 3.43Å
434P75.6Confident66.7Low86 Ų8697 Ų9756%0.55855%0.549SS*.  trans-62.8119.9178.225.8-33.7000110.3M428 N436M428-P434 WeakPolarHBondContact CE-O 3.35Å; P434-N436 VanDerWaalsContact C-N 3.25Å
435C64.2Low64.6Low29 Ų2998.8 Ų98.820%0.19656%0.564CS.*  trans-86.5-0.2178.3-62.80000112.6L433 T437 L438L433-C435 PolarHBondContact O-N 2.93Å; L433-C435 PolarHBondContact O-SG 3.43Å; C435-T437 PolarHBondContact O-N 2.93Å; C435-L438 PolarHBondContact O-N 3.36Å
436N60Low62.9Low131 Ų131103.7 Ų103.770%0.70158%0.584SS**THydrogen-bonded Turntrans-64.9-5-165-47.734000115.4P434P434-N436 VanDerWaalsContact C-N 3.25Å
437T57.4Low61.1Low94 Ų94105.8 Ų105.858%0.57760%0.599SS**THydrogen-bonded Turntrans-125.31-16955.10000114.1C435C435-T437 PolarHBondContact O-N 2.93Å
438L54.5Low58.7Low58 Ų58107.7 Ų107.730%0.30461%0.61SS.*SBendtrans-88.2-26.5177.5-65.1-173.3000113.1L424 M428 C435 D440 L441L424-L438 HydrophobicContact CD2-CD1 4.1Å; L424-L438 HydrophobicContact CG-CD1 4.33Å; M428-L438 HydrophobicContact CE-CD1 4.19Å; M428-L438 HydrophobicContact SD-CD1 3.7Å; C435-L438 PolarHBondContact O-N 3.36Å; L438-D440 VanDerWaalsContact C-N 3.35Å; L438-D440 PolarHBondContact O-N 2.84Å; L438-L441 PolarHBondContact O-N 2.79Å
439S54.6Low56.9Low78 Ų78113.7 Ų113.755%0.54564%0.637SS.*G310 helixtrans-60.8-41.6179-57.10000112.5L441 N442S439-L441 PolarHBondContact O-N 2.92Å; S439-N442 PolarHBondContact O-N 3.41Å; S439-N442 VanDerWaalsContact O-N 3.13Å
440D53.5Low55Low120 Ų120119 Ų11964%0.64265%0.651SS**G310 helixtrans-69.3-20.7-175.6-52.3-73.9000113.5L438 N442L438-D440 VanDerWaalsContact C-N 3.35Å; L438-D440 PolarHBondContact O-N 2.84Å; D440-N442 VanDerWaalsContact C-N 3.32Å
441L55.3Low53.1Low148 Ų148114.5 Ų114.578%0.77565%0.647SS**G310 helixtrans-83.7-6.8176.4-62.8179.3000113.3L438 S439L438-L441 PolarHBondContact O-N 2.79Å; S439-L441 PolarHBondContact O-N 2.92Å
442N48Very low50.8Low123 Ų123118.2 Ų118.266%0.65866%0.657SS**G310 helixtrans-1061.3-176.7-155.918.9000113.3S439 D440S439-N442 PolarHBondContact O-N 3.41Å; S439-N442 VanDerWaalsContact O-N 3.13Å; D440-N442 VanDerWaalsContact C-N 3.32Å
443L43.3Very low49.2Very low149 Ų149120.4 Ų120.478%0.7866%0.661SS**  trans-131.356.6-172.1-69.1177000113.5
444N39.8Very low47.7Very low144 Ų144123.5 Ų123.577%0.7768%0.683SS**  trans-133.970.5165.9-164.11.5000113.1
445T36.6Very low45.8Very low139 Ų139125.5 Ų125.585%0.85370%0.697SS**  trans-140.953.5172.952.50000112.1
446K40.4Very low44.9Very low194 Ų194130 Ų13084%0.84372%0.716SS**  trans-136.9153.1159-84.3-160.5174.4-177.60111.3
447P40.3Very low44.7Very low123 Ų123128.5 Ų128.580%0.79972%0.715SS**  trans-113.7133.3-152.136.4-24.8000114
448N32.3Very low45.5Very low137 Ų137126.8 Ų126.873%0.73371%0.707SS**  trans-158.3166143-157.319000111.5
449E41.7Very low47Very low158 Ų158128.5 Ų128.574%0.73872%0.721SS**  trans65.9162.5173.9-53-50.4135.700117.6
450K40.1Very low48.3Very low187 Ų187130.8 Ų130.881%0.81373%0.725SS**  trans-169.2147.2-151.6171.9-172175.9-171.10110.9
451P42.1Very low49.7Very low98 Ų98130 Ų13064%0.63672%0.716SS**  cis-122-141.3-8.532.1-9.1000111.7
452D30.6Very low51.3Low144 Ų144129.4 Ų129.477%0.7771%0.709SS**  trans73.268.6158.3-55.1-23.4000120.2
453S44.5Very low53.4Low117 Ų117128 Ų12882%0.81870%0.701SS**  -164.7147.912436.50000113.1C455S453-C455 PolarHBondContact O-N 3.29Å
454V46.3Very low55.6Low137 Ų137125 Ų12583%0.8369%0.686SS**  trans-62.9122-172.5-78.50000113.8E456V454-E456 PolarHBondContact O-N 3.36Å
455C36.2Very low58.1Low128 Ų128126.2 Ų126.287%0.86568%0.684SS**  trans-70.890.6173-78.80000111.8S453 S457S453-C455 PolarHBondContact O-N 3.29Å; C455-S457 PolarHBondContact O-N 2.95Å
456E45.5Very low60.9Low124 Ų124125.4 Ų125.458%0.57967%0.674SS**  trans-96.345-175.4-145.5-166.6-173.700114.6V454 S458 K461V454-E456 PolarHBondContact O-N 3.36Å; E456-S458 PolarHBondContact O-N 3.27Å; E456-K461 HydrophobicContact CG-CD 4.29Å; E456-K461 IonicContact OE1-NZ 2.6Å; E456-K461 PolarHBondContact OE1-NZ 2.94Å; E456-K461 WeakPolarHBondContact OE2-CD 3.45Å; E456-K461 IonicContact OE2-NZ 2.64Å; E456-K461 PolarHBondContact OE2-NZ 3.18Å
457S55.4Low63.5Low99 Ų99121.4 Ų121.469%0.69266%0.661SS**  trans-76.151-176.249.60000114.6C455C455-S457 PolarHBondContact O-N 2.95Å
458S74.5Confident66Low57 Ų57119 Ų11940%0.39965%0.648SS.*  trans-64.6130.8164.5174.90000109.8E456 M460 K461 Q462E456-S458 PolarHBondContact O-N 3.27Å; S458-M460 PolarHBondContact O-N 2.98Å; S458-M460 VanDerWaalsContact O-N 3.11Å; S458-K461 WeakPolarHBondContact O-CA 3.24Å; S458-K461 WeakPolarHBondContact O-CB 3.38Å; S458-K461 PolarHBondContact O-N 3.01Å; S458-Q462 PolarHBondContact O-N 2.77Å
459P85.6Confident69Low94 Ų94116.3 Ų116.361%0.6164%0.639SS**Hα-helixtrans-55.1-33.8179-28.135.4000113.1Q462 I463P459-Q462 PolarHBondContact O-N 3.03Å; P459-I463 VanDerWaalsContact O-CG1 3.3Å; P459-I463 WeakPolarHBondContact O-CG1 3.18Å; P459-I463 PolarHBondContact O-N 2.94Å
460M82.4Confident71.4Confident127 Ų127111.1 Ų111.163%0.62662%0.623SS**Hα-helixtrans-66.2-36.4175.6-162.466.470.800112.1S458 N464S458-M460 PolarHBondContact O-N 2.98Å; S458-M460 VanDerWaalsContact O-N 3.11Å; M460-N464 PolarHBondContact O-N 3.41Å; M460-N464 PolarHBondContact O-ND2 3.23Å
461K82.6Confident74Confident103 Ų103105 Ų10545%0.44861%0.608SS.*Hα-helixtrans-72.7-36.5175.5-72.9-169.2162.7-173.20111.7E456 S458 N464 K465E456-K461 HydrophobicContact CG-CD 4.29Å; E456-K461 IonicContact OE1-NZ 2.6Å; E456-K461 PolarHBondContact OE1-NZ 2.94Å; E456-K461 WeakPolarHBondContact OE2-CD 3.45Å; E456-K461 IonicContact OE2-NZ 2.64Å; E456-K461 PolarHBondContact OE2-NZ 3.18Å; S458-K461 WeakPolarHBondContact O-CA 3.24Å; S458-K461 WeakPolarHBondContact O-CB 3.38Å; S458-K461 PolarHBondContact O-N 3.01Å; K461-N464 PolarHBondContact O-N 3.03Å; K461-K465 WeakPolarHBondContact O-CB 3.46Å; K461-K465 PolarHBondContact O-N 3.26Å
462Q89.8Confident76.3Confident136 Ų136103.6 Ų103.664%0.63660%0.6SS**Hα-helixtrans-64.1-43.5172.8-171.7174.60.800112S458 P459 K465 L466S458-Q462 PolarHBondContact O-N 2.77Å; P459-Q462 PolarHBondContact O-N 3.03Å; Q462-K465 PolarHBondContact O-N 3.12Å; Q462-L466 WeakPolarHBondContact O-CB 3.43Å; Q462-L466 PolarHBondContact O-N 2.73Å
463I92.5Very high79.1Confident93 Ų9399.8 Ų99.848%0.47759%0.585SS.*Hα-helixtrans-61.1-48.4174.7-69.5164.1000110.9P459 K465 L466 L467P459-I463 VanDerWaalsContact O-CG1 3.3Å; P459-I463 WeakPolarHBondContact O-CG1 3.18Å; P459-I463 PolarHBondContact O-N 2.94Å; I463-K465 PolarHBondContact O-N 2.66Å; I463-L466 PolarHBondContact O-N 2.65Å; I463-L467 HydrophobicContact CG2-CD1 3.86Å; I463-L467 HydrophobicContact CG2-CG 4.39Å; I463-L467 WeakPolarHBondContact O-CG 3.33Å; I463-L467 PolarHBondContact O-N 3.49Å
464N88.4Confident81.2Confident87 Ų8798.9 Ų98.947%0.46557%0.57SS.*Hα-helixtrans-62.9-43.7178.3-80.7-81.5000112M460 K461 L466 L467 S468M460-N464 PolarHBondContact O-N 3.41Å; M460-N464 PolarHBondContact O-ND2 3.23Å; K461-N464 PolarHBondContact O-N 3.03Å; N464-L466 VanDerWaalsContact C-N 3.31Å; N464-L466 PolarHBondContact O-N 2.9Å; N464-L467 PolarHBondContact O-N 3.07Å; N464-S468 PolarHBondContact O-N 3.45Å; N464-S468 PolarHBondContact O-OG 2.51Å
465K93.7Very high83.3Confident168 Ų16898.3 Ų98.373%0.7356%0.562SS**Hα-helixtrans-60-40.6176.1-173.2175.8179.9179.90112K461 Q462 I463 S469K461-K465 WeakPolarHBondContact O-CB 3.46Å; K461-K465 PolarHBondContact O-N 3.26Å; Q462-K465 PolarHBondContact O-N 3.12Å; I463-K465 PolarHBondContact O-N 2.66Å; K465-S469 VanDerWaalsContact O-CB 3.23Å; K465-S469 WeakPolarHBondContact O-CB 3.16Å; K465-S469 PolarHBondContact O-N 2.83Å
466L94.6Very high85.5Confident123 Ų12397.7 Ų97.764%0.64455%0.55SS**Hα-helixtrans-65.5-44.6175.9-177.962.7000111.9Q462 I463 N464 S469 A470Q462-L466 WeakPolarHBondContact O-CB 3.43Å; Q462-L466 PolarHBondContact O-N 2.73Å; I463-L466 PolarHBondContact O-N 2.65Å; N464-L466 VanDerWaalsContact C-N 3.31Å; N464-L466 PolarHBondContact O-N 2.9Å; L466-S469 PolarHBondContact O-N 3.11Å; L466-A470 WeakPolarHBondContact O-CB 3.43Å; L466-A470 PolarHBondContact O-N 3.45Å
467L94.7Very high87.2Confident109 Ų10996 Ų9657%0.57154%0.542SS*.Hα-helixtrans-64.3-44.2177.5-70.1172000112.1I463 N464 A470 A471I463-L467 HydrophobicContact CG2-CD1 3.86Å; I463-L467 HydrophobicContact CG2-CG 4.39Å; I463-L467 WeakPolarHBondContact O-CG 3.33Å; I463-L467 PolarHBondContact O-N 3.49Å; N464-L467 PolarHBondContact O-N 3.07Å; L467-A470 PolarHBondContact O-N 2.98Å; L467-A471 WeakPolarHBondContact O-CB 3.37Å; L467-A471 PolarHBondContact O-N 3.4Å
468S93.1Very high88.2Confident74 Ų7497.5 Ų97.552%0.51754%0.541SS..Hα-helixtrans-62.1-44.1174.1-61.80000111.8N464 A470 A471 S472N464-S468 PolarHBondContact O-N 3.45Å; N464-S468 PolarHBondContact O-OG 2.51Å; S468-A470 PolarHBondContact O-N 3.39Å; S468-A471 PolarHBondContact O-N 2.77Å; S468-S472 PolarHBondContact O-N 3.16Å; S468-S472 PolarHBondContact O-OG 2.81Å
469S94.2Very high88.1Confident79 Ų7998.3 Ų98.355%0.55255%0.552SS**Hα-helixtrans-63.4-41.3178.3-176.70000112.4K465 L466 S473K465-S469 VanDerWaalsContact O-CB 3.23Å; K465-S469 WeakPolarHBondContact O-CB 3.16Å; K465-S469 PolarHBondContact O-N 2.83Å; L466-S469 PolarHBondContact O-N 3.11Å; S469-S473 WeakPolarHBondContact O-CB 3.34Å; S469-S473 PolarHBondContact O-N 2.68Å
470A93.3Very high87.1Confident50 Ų5096.2 Ų96.241%0.41355%0.547SS..Hα-helixtrans-65.4-42174.600000111.9L466 L467 S468 S473 L474L466-A470 WeakPolarHBondContact O-CB 3.43Å; L466-A470 PolarHBondContact O-N 3.45Å; L467-A470 PolarHBondContact O-N 2.98Å; S468-A470 PolarHBondContact O-N 3.39Å; A470-S473 PolarHBondContact O-N 3.23Å; A470-L474 WeakPolarHBondContact O-CG 3.42Å; A470-L474 PolarHBondContact O-N 3.46Å
471A93.6Very high85.7Confident58 Ų5894.9 Ų94.948%0.47955%0.551SS.*Hα-helixtrans-62.7-45.1176.900000112.3L467 S468 L474 L475L467-A471 WeakPolarHBondContact O-CB 3.37Å; L467-A471 PolarHBondContact O-N 3.4Å; S468-A471 PolarHBondContact O-N 2.77Å; A471-L474 PolarHBondContact O-N 2.78Å; A471-L475 WeakPolarHBondContact O-CB 3.45Å; A471-L475 PolarHBondContact O-N 3.43Å
472S90.1Very high84.1Confident69 Ų6998.2 Ų98.248%0.48357%0.568SS.*Hα-helixtrans-64.5-37.3174.7-61.90000112.6S468 L475 N476S468-S472 PolarHBondContact O-N 3.16Å; S468-S472 PolarHBondContact O-OG 2.81Å; S472-L475 PolarHBondContact O-N 3.45Å; S472-N476 WeakPolarHBondContact O-CB 3.48Å; S472-N476 VanDerWaalsContact O-CG 3.25Å; S472-N476 PolarHBondContact O-N 3.05Å; S472-N476 PolarHBondContact O-OD1 2.91Å
473S89.6Confident81.8Confident63 Ų63102.5 Ų102.544%0.44158%0.578SS.*Hα-helixtrans-64.9-43.7176.9-174.90000112S469 A470 N476 Q477S469-S473 WeakPolarHBondContact O-CB 3.34Å; S469-S473 PolarHBondContact O-N 2.68Å; A470-S473 PolarHBondContact O-N 3.23Å; S473-N476 PolarHBondContact O-N 3.38Å; S473-Q477 WeakPolarHBondContact O-CG 3.15Å; S473-Q477 PolarHBondContact O-N 2.85Å
474L89.4Confident79.2Confident98 Ų98103.8 Ų103.851%0.51359%0.59SS.*Hα-helixtrans-63.7-43.1173.4-72.1170.6000112A470 A471 N476 Q477 L478A470-L474 WeakPolarHBondContact O-CG 3.42Å; A470-L474 PolarHBondContact O-N 3.46Å; A471-L474 PolarHBondContact O-N 2.78Å; L474-N476 VanDerWaalsContact C-N 3.3Å; L474-N476 PolarHBondContact O-N 3.34Å; L474-Q477 PolarHBondContact O-N 2.67Å; L474-Q477 VanDerWaalsContact O-N 3.16Å; L474-L478 WeakPolarHBondContact O-CD1 3.49Å; L474-L478 PolarHBondContact O-N 3Å
475L89.9Confident77Confident125 Ų125106.5 Ų106.565%0.65461%0.605SS**Hα-helixtrans-59.1-42.8178.1-162.477.3000111.4A471 S472 L478 A479A471-L475 WeakPolarHBondContact O-CB 3.45Å; A471-L475 PolarHBondContact O-N 3.43Å; S472-L475 PolarHBondContact O-N 3.45Å; L475-L478 PolarHBondContact O-N 3.27Å; L475-A479 WeakPolarHBondContact O-CB 3.34Å; L475-A479 PolarHBondContact O-N 2.9Å
476N83.5Confident75Confident116 Ų116105.7 Ų105.762%0.6261%0.613SS**Hα-helixtrans-67.7-34.7177-69.3-2.9000112.6S472 S473 L474 G480S472-N476 WeakPolarHBondContact O-CB 3.48Å; S472-N476 VanDerWaalsContact O-CG 3.25Å; S472-N476 PolarHBondContact O-N 3.05Å; S472-N476 PolarHBondContact O-OD1 2.91Å; S473-N476 PolarHBondContact O-N 3.38Å; L474-N476 VanDerWaalsContact C-N 3.3Å; L474-N476 PolarHBondContact O-N 3.34Å; N476-G480 PolarHBondContact O-N 2.68Å
477Q79.5Confident72.2Confident87 Ų87107.1 Ų107.141%0.40762%0.622SS.*Hα-helixtrans-66.4-48.4173.6-75.1177.4-11.100111.4S473 L474 A479 G480 S481S473-Q477 WeakPolarHBondContact O-CG 3.15Å; S473-Q477 PolarHBondContact O-N 2.85Å; L474-Q477 PolarHBondContact O-N 2.67Å; L474-Q477 VanDerWaalsContact O-N 3.16Å; Q477-A479 VanDerWaalsContact C-N 3.29Å; Q477-A479 PolarHBondContact O-N 3.22Å; Q477-G480 PolarHBondContact O-N 3.24Å; Q477-S481 PolarHBondContact O-N 3.28Å; Q477-S481 PolarHBondContact O-OG 2.99Å
478L78Confident69.4Low131 Ų131107.9 Ų107.969%0.68663%0.631SS**Hα-helixtrans-63.6-33.3177.7-86.876.3000112.5L474 L475L474-L478 WeakPolarHBondContact O-CD1 3.49Å; L474-L478 PolarHBondContact O-N 3Å; L475-L478 PolarHBondContact O-N 3.27Å
479A71.7Confident66.7Low75 Ų75109.4 Ų109.462%0.6264%0.642SS**Hα-helixtrans-72.6-27.8173.100000113.4L475 Q477L475-A479 WeakPolarHBondContact O-CB 3.34Å; L475-A479 PolarHBondContact O-N 2.9Å; Q477-A479 VanDerWaalsContact C-N 3.29Å; Q477-A479 PolarHBondContact O-N 3.22Å
480G64.7Low64Low49 Ų49110.9 Ų110.951%0.50565%0.652SS.*Hα-helixtrans-83.5-35.8-18000000114.5N476 Q477 Q482N476-G480 PolarHBondContact O-N 2.68Å; Q477-G480 PolarHBondContact O-N 3.24Å; G480-Q482 PolarHBondContact O-N 2.85Å
481S53.2Low61.4Low100 Ų100113.6 Ų113.670%0.69967%0.668SS**THydrogen-bonded Turntrans-75.720.2-171.2-64.70000116.2Q477Q477-S481 PolarHBondContact O-N 3.28Å; Q477-S481 PolarHBondContact O-OG 2.99Å
482Q49.7Very low59.1Low173 Ų173118 Ų11881%0.80868%0.683SS**THydrogen-bonded Turntrans-112.523.7179.9-78.4-8397.300112.6G480G480-Q482 PolarHBondContact O-N 2.85Å
483R41.4Very low56.9Low226 Ų226120.2 Ų120.285%0.85370%0.696SS**  trans-140.657.3-171.2-52.4-161.885.2-155.54.2115.3
484T37.8Very low54.9Low120 Ų120125 Ų12574%0.73672%0.716SS**  trans-134164.8157.253.80000110
485D41.8Very low53.2Low144 Ų144125.4 Ų125.477%0.7773%0.725SS**SBendtrans74.854.4160.9-42.6-52.7000119.2
486V50.9Low51.7Low150 Ų150125 Ų12591%0.90973%0.73SS**  trans-165.1149.3134.1-990000112.4
487D37Very low50.9Low154 Ų154125.1 Ų125.182%0.82474%0.737SS**  trans-86.9167.9179.3-63.2-88.3000115.1
488T35.7Very low49.9Very low124 Ų124126.7 Ų126.776%0.76176%0.755SS**  trans81.397.9151.9-50.60000120.1
489S36.2Very low49Very low106 Ų106126.1 Ų126.174%0.74176%0.758SS**  trans74.5149.4136.5-60.90000123.9
490S37.9Very low48.6Very low110 Ų110128 Ų12877%0.76976%0.764SS**  trans67.1101.5163.543.70000120.8
491S37.3Very low48.3Very low108 Ų108131.8 Ų131.876%0.75578%0.78SS**  trans8.6122.7133.2530000120.6
492D46.8Very low48.5Very low149 Ų149133.6 Ų133.680%0.79778%0.781SS**  -169159.297.4-112.2-31.2000112.1
493P42Very low48.3Very low116 Ų116131 Ų13175%0.75378%0.779SS**  trans-96128.1178.734.9-28.2000112.5
494L48.6Very low48.7Very low164 Ų164129.3 Ų129.386%0.85978%0.778SS**  trans-117.9156.5-179.6-75.4177000113.2
495P54.2Low48.8Very low107 Ų107131.9 Ų131.970%0.69578%0.782SS**PPolyproline II helixtrans-88.8165.6-145.433.6-37.9000115.9
496P58.6Low48.8Very low116 Ų116133.6 Ų133.675%0.75379%0.786SS**PPolyproline II helixtrans-65.3152.8175.627.8-36.3000113.4
497P66.1Low48.4Very low119 Ų119134.5 Ų134.577%0.77378%0.78SS**PPolyproline II helixtrans-70.1152.3-177.929-35.7000113.2
498P57.6Low48.3Very low120 Ų120133.3 Ų133.378%0.77977%0.773SS**PPolyproline II helixtrans-74.6152.4-172.130-36.2000114
499P60.4Low48.5Very low118 Ų118134.4 Ų134.477%0.76677%0.77SS**PPolyproline II helixtrans-76.9155.9178.832.5-36000113
500P62.8Low49.1Very low115 Ų115136.8 Ų136.875%0.74777%0.773SS**PPolyproline II helixtrans-71.6145.617530.6-35000112
501P58.9Low49.7Very low128 Ų128136.8 Ų136.883%0.83177%0.77SS**PPolyproline II helixtrans-72.2137.1-177.528.9-34.7000112.7
502L56.4Low50.2Low138 Ų138136.7 Ų136.772%0.72377%0.768SS**PPolyproline II helixtrans-84.2142.8172.6-67.1171.7000111F504L502-F504 HydrophobicContact CB-CE2 4.43Å; L502-F504 PolarHBondContact O-N 3.09Å
503P47Very low49.9Very low118 Ų118135.2 Ų135.277%0.76676%0.764SS**  trans-79.6115175.231.5-32.3000110.8
504F48.6Very low49.6Very low191 Ų191136.1 Ų136.184%0.83877%0.768SS**  trans-87.7146.8167.2-73.5-81.6000110.9L502L502-F504 HydrophobicContact CB-CE2 4.43Å; L502-F504 PolarHBondContact O-N 3.09Å
505Q39.7Very low49Very low175 Ų175133.1 Ų133.182%0.81876%0.76SS**  trans-102.1176.2-171.4-58.9176.6-95.900111.7
506Q43Very low48.3Very low180 Ų180133.5 Ų133.584%0.84176%0.761SS**  trans74.6139.4171-53.7167.5-54.400112.7
507H41.5Very low48Very low169 Ų169135.7 Ų135.778%0.78277%0.765SS**  cis-157.3172.711.334.2-84.6000111.5
508N35.8Very low46.9Very low129 Ų129135.1 Ų135.169%0.6976%0.761SS**  trans3.6148.2155.7-64.438.8000120.1
509E40Very low46.4Very low147 Ų147138.7 Ų138.769%0.68777%0.768SS**  cis-161.6144.78.8-127.4167.410600113.3
510L47.5Very low45.5Very low155 Ų155138.4 Ų138.481%0.81277%0.768SS**  trans44.6157.9150.1-68.6171.9000124
511P51.2Low44.8Very low110 Ų110142 Ų14271%0.71477%0.772SS**  trans-107-167-164.946.5-37.3000112
512P47.6Very low44.6Very low107 Ų107141.6 Ų141.670%0.69577%0.767SS**  cis-149.8-161.420.339.9-14.1000118.9
513T40.8Very low45.3Very low118 Ų118139.5 Ų139.572%0.72476%0.762SS**  trans86.6111.516153.20000120.7
514T35.1Very low46.3Very low135 Ų135139.2 Ų139.283%0.82876%0.76SS**  trans42.1117.5137.559.10000120.3
515S36.5Very low47Very low101 Ų101136.2 Ų136.271%0.70676%0.76SS**  172160.198.3-166.50000113.6
516T39.9Very low47.8Very low115 Ų115135.5 Ų135.571%0.70676%0.761SS**  trans59.5119.515135.30000122.7
517L52Low48.3Very low161 Ų161132.4 Ų132.484%0.84376%0.756SS**  trans86.1154.5136.7-64.6169.1000120
518P42.3Very low48.5Very low107 Ų107130.4 Ų130.470%0.69576%0.756SS**  trans-118.1144.1-150.839.2-26.5000114.8
519H48.2Very low49.2Very low196 Ų196130.6 Ų130.691%0.90776%0.761SS**  trans-113.6123.1166.8-80.4-70.8000112.3F521H519-F521 PolarHBondContact O-N 3.29Å
520S39.8Very low49.5Very low111 Ų111130.6 Ų130.678%0.77677%0.765SS**  trans-65.3124175.4-176.90000110.7
521F48.3Very low49.5Very low190 Ų190128.9 Ų128.983%0.83376%0.757SS**  trans-104.496.3172.4-159.8-88.3000109.5H519 P523H519-F521 PolarHBondContact O-N 3.29Å; F521-P523 VanDerWaalsContact O-CD 3.31Å; F521-P523 WeakPolarHBondContact O-CD 3.38Å
522V55.8Low49.1Very low121 Ų121128.6 Ų128.673%0.73375%0.754SS**  trans-85.6111.9178.3-178.10000109
523P69.9Low48.6Very low93 Ų93131.4 Ų131.460%0.60476%0.756SS**PPolyproline II helixtrans-72.2142.3175.430.5-34.2000110.6F521F521-P523 VanDerWaalsContact O-CD 3.31Å; F521-P523 WeakPolarHBondContact O-CD 3.38Å
524P68.2Low48.8Very low113 Ų113131.6 Ų131.673%0.73476%0.762SS**PPolyproline II helixtrans-67.7148.6179.828.2-34.9000111.9L526P524-L526 PolarHBondContact O-N 2.78Å
525P63.4Low48.9Very low127 Ų127132.5 Ų132.583%0.82576%0.762SS**PPolyproline II helixtrans-69.3128.5-17828.1-34.4000111.7
526L56.9Low49.2Very low161 Ų161135.9 Ų135.984%0.84377%0.772SS**PPolyproline II helixtrans-70.8143.9172.3-70.7170000110.9P524 T528P524-L526 PolarHBondContact O-N 2.78Å; L526-T528 PolarHBondContact O-N 2.94Å
527P54.5Low49.2Very low115 Ų115134.6 Ų134.675%0.74777%0.773SS**PPolyproline II helixtrans-63.7134.3-177.325.7-34.4000112V529P527-V529 PolarHBondContact O-N 3.46Å; P527-V529 VanDerWaalsContact O-N 3.16Å
528T45.2Very low48.9Very low126 Ų126135.6 Ų135.677%0.77378%0.777SS**  trans-64.7112.7-179.3-550000111.3L526 I530L526-T528 PolarHBondContact O-N 2.94Å; T528-I530 PolarHBondContact O-N 3.46Å
529V50.1Low48.9Very low133 Ų133132.9 Ų132.981%0.80677%0.769SS**  trans-7199.2169.8-179.90000108.8P527 N531P527-V529 PolarHBondContact O-N 3.46Å; P527-V529 VanDerWaalsContact O-N 3.16Å; V529-N531 PolarHBondContact O-N 3.36Å
530I46Very low48.6Very low147 Ų147130.9 Ų130.975%0.75477%0.765SS**  trans-65.3107177.7-61.8172.3000108.7T528 P532T528-I530 PolarHBondContact O-N 3.46Å; I530-P532 WeakPolarHBondContact O-CD 3.49Å
531N46.8Very low48.9Very low120 Ų120133.5 Ų133.564%0.64276%0.762SS**  trans-94.6105.2179.7178.5101.1000109.5V529 F533V529-N531 PolarHBondContact O-N 3.36Å; N531-F533 VanDerWaalsContact C-N 3.29Å; N531-F533 PolarHBondContact O-N 2.87Å
532P43.1Very low48.4Very low103 Ų103132.8 Ų132.867%0.66976%0.764SS**  trans-82.161.5-161.235-38.7000113.6I530I530-P532 WeakPolarHBondContact O-CD 3.49Å
533F36.9Very low48.1Very low167 Ų167135.4 Ų135.473%0.73277%0.773SS**  trans-142.861.5-178.3-69.3-74.4000113.2N531N531-F533 VanDerWaalsContact C-N 3.29Å; N531-F533 PolarHBondContact O-N 2.87Å
534S44.9Very low46.9Very low121 Ų121135.9 Ų135.985%0.84678%0.776SS**  trans-137101.8163-80.30000109.9
535N37.8Very low45.6Very low154 Ų154138.4 Ų138.482%0.82478%0.783SS**  trans-78.1124.2164-64.5-47.5000108.6
536N43.4Very low44.5Very low172 Ų172136.4 Ų136.492%0.9279%0.785SS**  trans-156.6157.1149.8-105.1-13.3000109
537A40.3Very low43.8Very low88 Ų88133.7 Ų133.773%0.72779%0.786SS**  trans-83.3-173.1-168.300000113.9
538I45Very low43.2Very low182 Ų182134.8 Ų134.893%0.93380%0.795SS**  trans93.5131.1176.3-53.9156.8000113.4
539G42Very low43.1Very low50 Ų50131.5 Ų131.552%0.51579%0.786SS.*  trans143.518.5164.600000119.1K541G539-K541 PolarHBondContact O-NZ 3.39Å
540D42.6Very low42.6Very low154 Ų154133.9 Ų133.982%0.82479%0.789SS**  trans-46.7141.6-179.2-153.8-25.8000113.9
541K45.6Very low42.4Very low166 Ų166133.2 Ų133.272%0.72279%0.787SS**  trans176.396.1163.553.1-162.2129.6-57.10112.3G539G539-K541 PolarHBondContact O-NZ 3.39Å
542M38.7Very low42.4Very low175 Ų175136 Ų13686%0.86279%0.793SS**  trans19.8126.5138.2-60.6177.6171.700120.2
543L48Very low42.7Very low177 Ų177141 Ų14193%0.92780%0.804SS**  -162.1121.5123.4-107.2171.8000109.7
544P46.2Very low42.6Very low103 Ų103140.2 Ų140.267%0.66980%0.803SS**  trans-114.7172.2-173.141.3-34.3000115.8
545N40.7Very low43Very low166 Ų166141.6 Ų141.689%0.88880%0.799SS**  trans77.7142.4160.4-68.6-1.9000120.4
546G40.2Very low43.6Very low84 Ų84142.5 Ų142.587%0.86680%0.796SS**  trans160.272.1-179.500000109.8
547A41.8Very low43.9Very low105 Ų105141.4 Ų141.487%0.86878%0.783SS**  trans-117.5131.9-162.400000114.5
548C42.1Very low44.5Very low137 Ų137142.4 Ų142.493%0.92678%0.782SS**  trans-167144163.3-174.90000106.8
549G42.1Very low45Very low58 Ų58140.3 Ų140.360%0.59877%0.766SS**  cis168.588.8-3.800000109.4
550E39.5Very low45.4Very low182 Ų182141.1 Ų141.185%0.8578%0.775SS**  trans50.6125.9165.6-58.4-178.682.100120.3
551N42.4Very low46Very low134 Ų134142 Ų14272%0.71778%0.779SS**  173.2117.7120.7-99.3-78.8000114
552K46.3Very low46.7Very low178 Ų178136.4 Ų136.477%0.77476%0.757SS**  trans39.997.1141.1-64.7167.3-177.41520120.3
553K49.2Very low48.2Very low208 Ų208135.8 Ų135.890%0.90475%0.745SS**  157.5147.7116.1-85163.1-176.9177.70112.9
554E35.3Very low49.4Very low150 Ų150133.8 Ų133.870%0.70173%0.734SS**  trans-78.2124-173.4-59.6-174.895.200114.1K556E554-K556 WeakPolarHBondContact OE1-CE 3.32Å; E554-K556 IonicContact OE1-NZ 3.61Å; E554-K556 PolarHBondContact OE1-NZ 2.64Å
555I53.9Low50.4Low151 Ų151134.7 Ų134.777%0.77473%0.729SS**  trans-136.786159-54.2-178.7000109.1K557I555-K557 PolarHBondContact O-N 3.42Å; I555-K557 VanDerWaalsContact O-N 3.1Å
556K49.7Very low51.7Low173 Ų173130 Ų13075%0.75270%0.702SS**  trans-7199.4179.1-72.2166.2-177.4152.60110.6E554 P558E554-K556 WeakPolarHBondContact OE1-CE 3.32Å; E554-K556 IonicContact OE1-NZ 3.61Å; E554-K556 PolarHBondContact OE1-NZ 2.64Å; K556-P558 WeakPolarHBondContact O-CD 3.46Å
557K49.7Very low52.8Low149 Ų149128.5 Ų128.565%0.64868%0.676SS**  trans-74.7116.9176.2-66.7175.6-177.9172.80110.3I555 F559I555-K557 PolarHBondContact O-N 3.42Å; I555-K557 VanDerWaalsContact O-N 3.1Å; K557-F559 PolarHBondContact O-N 3.07Å
558P53Low53.9Low108 Ų108126.5 Ų126.570%0.70165%0.65SS**THydrogen-bonded Turntrans-79.720.1-163.530.4-35.4000116.4K556K556-P558 WeakPolarHBondContact O-CD 3.46Å
559F55.7Low55Low138 Ų138122 Ų12261%0.60562%0.623SS**THydrogen-bonded Turntrans-14412.1-173.8-72-77.5000115.4K557 D561 M562K557-F559 PolarHBondContact O-N 3.07Å; F559-D561 PolarHBondContact O-N 2.99Å; F559-M562 HydrophobicContact CD1-CE 3.44Å; F559-M562 VanDerWaalsContact CD1-CE 3.44Å; F559-M562 HydrophobicContact CE1-CE 3.68Å
560G50.7Low56.2Low68 Ų68125 Ų12570%0.70162%0.619SS**THydrogen-bonded Turntrans-56.6-51.8-168.100000116.6
561D55.9Low57.8Low171 Ų171120.2 Ų120.291%0.91459%0.593SS**THydrogen-bonded Turntrans-110.58.4-169-72.4-64000114.9F559 R563F559-D561 PolarHBondContact O-N 2.99Å; D561-R563 PolarHBondContact O-N 3.46Å; D561-R563 VanDerWaalsContact O-N 3.16Å
562M59.9Low59.8Low49 Ų49119.8 Ų119.824%0.24159%0.585CS.*  trans-79.6106.6-178.5-69.5-159.1-57.700111.8F559 I564 E566 V567 K570F559-M562 HydrophobicContact CD1-CE 3.44Å; F559-M562 VanDerWaalsContact CD1-CE 3.44Å; F559-M562 HydrophobicContact CE1-CE 3.68Å; M562-I564 PolarHBondContact O-N 3.43Å; M562-E566 HydrophobicContact SD-CG 4.28Å; M562-V567 HydrophobicContact CB-CG2 3.87Å; M562-V567 HydrophobicContact CE-CG2 4.28Å; M562-K570 HydrophobicContact CE-CD 4.45Å; M562-K570 HydrophobicContact SD-CD 4.18Å; M562-K570 PolarHBondContact SD-NZ 3.32Å
563R70.4Confident61.7Low163 Ų163114.3 Ų114.362%0.61556%0.56SS**  trans-30.6128.3159.261.2-148.6-76.9164.7-5.5111.9D561 E565 E566 V567D561-R563 PolarHBondContact O-N 3.46Å; D561-R563 VanDerWaalsContact O-N 3.16Å; R563-E565 PolarHBondContact O-N 2.93Å; R563-E566 HydrophobicContact CG-CB 3.51Å; R563-E566 WeakPolarHBondContact O-CB 3.38Å; R563-E566 PolarHBondContact O-N 2.99Å; R563-V567 PolarHBondContact O-N 2.61Å
564I73.7Confident63.4Low135 Ų135113.9 Ų113.969%0.69255%0.554SS**Hα-helixtrans-52-37.3-172-62.7168.5000112.4M562 E566 V567 L568M562-I564 PolarHBondContact O-N 3.43Å; I564-E566 VanDerWaalsContact C-N 3.3Å; I564-E566 PolarHBondContact O-N 3.25Å; I564-V567 PolarHBondContact O-N 2.94Å; I564-L568 HydrophobicContact CG2-CD1 4.03Å; I564-L568 HydrophobicContact CG2-CG 4.44Å; I564-L568 WeakPolarHBondContact O-CG 3.31Å; I564-L568 PolarHBondContact O-N 3.16Å
565E65.3Low65.8Low122 Ų122110.6 Ų110.657%0.5754%0.541SS*.Hα-helixtrans-58.2-36.5176.1-175.3170.6-13400113.6R563 L568 A569R563-E565 PolarHBondContact O-N 2.93Å; E565-L568 CarbonylContact O-C 3.58Å; E565-L568 PolarHBondContact O-N 3.4Å; E565-A569 WeakPolarHBondContact O-CB 3.41Å; E565-A569 PolarHBondContact O-N 3.15Å
566E68.2Low67.3Low67 Ų67104.3 Ų104.331%0.31351%0.508SS..Hα-helixtrans-76.6-37.4178.7-175.2177.1173.600112M562 R563 I564 L568 A569 K570M562-E566 HydrophobicContact SD-CG 4.28Å; R563-E566 HydrophobicContact CG-CB 3.51Å; R563-E566 WeakPolarHBondContact O-CB 3.38Å; R563-E566 PolarHBondContact O-N 2.99Å; I564-E566 VanDerWaalsContact C-N 3.3Å; I564-E566 PolarHBondContact O-N 3.25Å; E566-L568 PolarHBondContact O-N 3.44Å; E566-A569 PolarHBondContact O-N 2.6Å; E566-A569 VanDerWaalsContact O-N 3.16Å; E566-K570 HydrophobicContact CG-CD 4.26Å; E566-K570 WeakPolarHBondContact O-CG 3.19Å; E566-K570 PolarHBondContact O-N 3.13Å; E566-K570 WeakPolarHBondContact OE1-CE 3.28Å; E566-K570 IonicContact OE1-NZ 2.68Å; E566-K570 PolarHBondContact OE1-NZ 2.88Å
567V63.8Low69Low53 Ų53101.4 Ų101.432%0.32151%0.51SS..Hα-helixtrans-58.4-41.3170.1-1760000110.1M562 R563 I564 R571M562-V567 HydrophobicContact CB-CG2 3.87Å; M562-V567 HydrophobicContact CE-CG2 4.28Å; R563-V567 PolarHBondContact O-N 2.61Å; I564-V567 PolarHBondContact O-N 2.94Å; V567-R571 PolarHBondContact O-N 3.23Å
568L65.2Low71Confident62 Ų6296.9 Ų96.933%0.32550%0.496SS..Hα-helixtrans-75.8-24.1176.2-66.7174.6000113.8I564 E565 E566 R571I564-L568 HydrophobicContact CG2-CD1 4.03Å; I564-L568 HydrophobicContact CG2-CG 4.44Å; I564-L568 WeakPolarHBondContact O-CG 3.31Å; I564-L568 PolarHBondContact O-N 3.16Å; E565-L568 CarbonylContact O-C 3.58Å; E565-L568 PolarHBondContact O-N 3.4Å; E566-L568 PolarHBondContact O-N 3.44Å; L568-R571 WeakPolarHBondContact O-CB 3.44Å
569A65.5Low72.8Confident43 Ų4399 Ų9936%0.35549%0.491SS..Hα-helixtrans-77.6-36.2174.700000112.5E565 E566 R571E565-A569 WeakPolarHBondContact O-CB 3.41Å; E565-A569 PolarHBondContact O-N 3.15Å; E566-A569 PolarHBondContact O-N 2.6Å; E566-A569 VanDerWaalsContact O-N 3.16Å; A569-R571 PolarHBondContact O-N 2.69Å
570K65.8Low74.5Confident122 Ų122101 Ų10153%0.5349%0.494SS..SBendtrans-74.6-12.2174.8-68.2175.2-174.7173.40113M562 E566M562-K570 HydrophobicContact CE-CD 4.45Å; M562-K570 HydrophobicContact SD-CD 4.18Å; M562-K570 PolarHBondContact SD-NZ 3.32Å; E566-K570 HydrophobicContact CG-CD 4.26Å; E566-K570 WeakPolarHBondContact O-CG 3.19Å; E566-K570 PolarHBondContact O-N 3.13Å; E566-K570 WeakPolarHBondContact OE1-CE 3.28Å; E566-K570 IonicContact OE1-NZ 2.68Å; E566-K570 PolarHBondContact OE1-NZ 2.88Å
571R74.4Confident76.5Confident81 Ų81100.1 Ų100.131%0.30647%0.472SS..  trans-63.3129.5179.9-169172.2-87-156.8-4.8112.3V567 L568 A569 D575 F576 E581V567-R571 PolarHBondContact O-N 3.23Å; L568-R571 WeakPolarHBondContact O-CB 3.44Å; A569-R571 PolarHBondContact O-N 2.69Å; R571-D575 HydrophobicContact CG-CB 3.48Å; R571-D575 VanDerWaalsContact CG-CB 3.48Å; R571-D575 PolarHBondContact NH1-O 3.16Å; R571-F576 HydrophobicContact CB-CE2 4.06Å; R571-F576 HydrophobicContact CB-CZ 4.19Å; R571-F576 HydrophobicContact CG-CD2 4.1Å; R571-F576 HydrophobicContact CG-CE2 3.58Å; R571-F576 HydrophobicContact CG-CZ 3.97Å; R571-E581 IonicContact NH1-OE1 3.39Å
572K83.5Confident78.3Confident125 Ų12592.1 Ų92.154%0.54343%0.429SS..  trans-87.3158.5177.5-65.7174.8-176.4170.60110.8Y574 D575 F576 S625K572-Y574 PolarHBondContact O-N 3.35Å; K572-D575 PolarHBondContact N-OD2 2.89Å; K572-D575 WeakPolarHBondContact O-CB 3.16Å; K572-D575 PolarHBondContact O-N 2.83Å; K572-F576 WeakPolarHBondContact O-CD2 3.43Å; K572-F576 WeakPolarHBondContact O-CE2 3.27Å; K572-S625 CarbonylContact C-O 3.54Å; K572-S625 VanDerWaalsContact CA-O 3.3Å; K572-S625 WeakPolarHBondContact CA-O 3.37Å
573R85.9Confident79.9Confident63 Ų6393.2 Ų93.224%0.23843%0.433CS..G310 helixtrans-51.5-28.7-179.7-176.5-177.1-169.5120.24.4114.8W582 S620 T624 S625R573-W582 HydrophobicContact CB-CD2 4.41Å; R573-W582 HydrophobicContact CB-CE3 4.22Å; R573-W582 HydrophobicContact CB-CH2 3.85Å; R573-W582 HydrophobicContact CB-CZ2 4.06Å; R573-W582 HydrophobicContact CB-CZ3 3.93Å; R573-W582 HydrophobicContact CG-CD2 3.97Å; R573-W582 HydrophobicContact CG-CE3 4.26Å; R573-W582 HydrophobicContact CG-CG 4.49Å; R573-W582 HydrophobicContact CG-CH2 4.25Å; R573-W582 HydrophobicContact CG-CZ2 3.96Å; R573-W582 HydrophobicContact CG-CZ3 4.38Å; R573-S620 PolarHBondContact NH2-O 3.11Å; R573-T624 WeakPolarHBondContact CD-O 3.29Å; R573-T624 PolarHBondContact NH1-O 3.07Å; R573-S625 PolarHBondContact N-O 3.3Å
574Y86.3Confident81.1Confident198 Ų19890 Ų9078%0.77643%0.425SS*.G310 helixtrans-80.4-17.4-179.8-62.7-81.6000113.4K572 F576K572-Y574 PolarHBondContact O-N 3.35Å; Y574-F576 VanDerWaalsContact C-N 3.31Å
575D85.2Confident82Confident81 Ų8185.5 Ų85.543%0.43340%0.399SS..G310 helixtrans-91.12.4-176.7-37.8-24.3000111.8R571 K572R571-D575 HydrophobicContact CG-CB 3.48Å; R571-D575 VanDerWaalsContact CG-CB 3.48Å; R571-D575 PolarHBondContact NH1-O 3.16Å; K572-D575 PolarHBondContact N-OD2 2.89Å; K572-D575 WeakPolarHBondContact O-CB 3.16Å; K572-D575 PolarHBondContact O-N 2.83Å
576F85.6Confident83.4Confident19 Ų1979.7 Ų79.78%0.08337%0.373CS..SBendtrans-96.3126173.3-68-97.2000108.7R571 K572 Y574 S578 E581 W582 R585 I627R571-F576 HydrophobicContact CB-CE2 4.06Å; R571-F576 HydrophobicContact CB-CZ 4.19Å; R571-F576 HydrophobicContact CG-CD2 4.1Å; R571-F576 HydrophobicContact CG-CE2 3.58Å; R571-F576 HydrophobicContact CG-CZ 3.97Å; K572-F576 WeakPolarHBondContact O-CD2 3.43Å; K572-F576 WeakPolarHBondContact O-CE2 3.27Å; Y574-F576 VanDerWaalsContact C-N 3.31Å; F576-S578 PolarHBondContact O-N 2.83Å; F576-E581 HydrophobicContact CB-CB 4.48Å; F576-E581 HydrophobicContact CD1-CB 4.39Å; F576-E581 HydrophobicContact CD1-CG 3.93Å; F576-E581 VanDerWaalsContact CD1-OE1 3.29Å; F576-E581 WeakPolarHBondContact CD1-OE1 3.35Å; F576-W582 HydrophobicContact CB-CB 4.26Å; F576-W582 AromaticContact CD2-CE3 3.53Å; F576-W582 HydrophobicContact CD2-CE3 3.53Å; F576-W582 HydrophobicContact CD2-CZ3 4.03Å; F576-W582 AromaticContact CE2-CE3 3.51Å; F576-W582 HydrophobicContact CE2-CE3 3.51Å; F576-W582 AromaticContact CE2-CZ3 3.64Å; F576-W582 HydrophobicContact CE2-CZ3 3.64Å; F576-W582 HydrophobicContact CG-CB 4.35Å; F576-W582 HydrophobicContact CG-CE3 4.09Å; F576-W582 HydrophobicContact CZ-CE3 4.05Å; F576-W582 HydrophobicContact CZ-CZ3 4.28Å; F576-R585 HydrophobicContact CE1-CB 3.84Å; F576-R585 HydrophobicContact CE1-CG 4.13Å; F576-R585 HydrophobicContact CZ-CB 4.36Å; F576-R585 HydrophobicContact CZ-CG 4.27Å; F576-I627 HydrophobicContact CZ-CD1 4.12Å
577S86.3Confident84.8Confident113 Ų11378 Ų7879%0.7937%0.37SS*.SBendtrans-60.4-22.9-173-22.60000113.2E581S577-E581 WeakPolarHBondContact CA-OE2 3.38Å; S577-E581 WeakPolarHBondContact CB-OE2 3.39Å; S577-E581 PolarHBondContact N-OE2 3.41Å; S577-E581 PolarHBondContact OG-OE2 3.17Å
578S90.2Very high86.3Confident53 Ų5380.5 Ų80.537%0.37138%0.381SS..SBendtrans-150.4160.4177.573.60000113.7F576 R580 E581 W582F576-S578 PolarHBondContact O-N 2.83Å; S578-R580 PolarHBondContact O-N 2.87Å; S578-R580 PolarHBondContact OG-N 3.19Å; S578-E581 PolarHBondContact O-N 3.12Å; S578-E581 PolarHBondContact OG-N 3.21Å; S578-E581 VanDerWaalsContact OG-N 3.1Å; S578-W582 PolarHBondContact O-N 3.5Å; S578-W582 VanDerWaalsContact O-N 3.16Å
579R90.5Very high87.7Confident154 Ų15478.3 Ų78.358%0.58137%0.369SS*.Hα-helixtrans-59.3-25.1169.5-172.4178.3-172.3162.110.5112.8Q583R579-Q583 VanDerWaalsContact O-CG 3.31Å; R579-Q583 WeakPolarHBondContact O-CG 3.31Å; R579-Q583 PolarHBondContact O-N 2.89Å; R579-Q583 VanDerWaalsContact O-N 3.15Å
580R93.2Very high89.3Confident179 Ų17976.2 Ų76.268%0.67535%0.352SS*.Hα-helixtrans-71-52.6176.4172.9-172.1-72.1-115.57.7110.2S578 W582 Q583 E584S578-R580 PolarHBondContact O-N 2.87Å; S578-R580 PolarHBondContact OG-N 3.19Å; R580-W582 VanDerWaalsContact C-N 3.27Å; R580-W582 PolarHBondContact O-N 2.78Å; R580-Q583 CarbonylContact O-C 3.6Å; R580-Q583 WeakPolarHBondContact O-CA 3.4Å; R580-Q583 WeakPolarHBondContact O-CB 3.43Å; R580-Q583 PolarHBondContact O-N 2.95Å; R580-E584 WeakPolarHBondContact CD-OE1 3.23Å; R580-E584 HydrophobicContact CG-CG 4.4Å; R580-E584 WeakPolarHBondContact CG-OE1 3.3Å; R580-E584 WeakPolarHBondContact O-CG 3.46Å; R580-E584 PolarHBondContact O-N 2.71Å
581E91.9Very high90.7Very high50 Ų5076 Ų7623%0.23435%0.351CS..Hα-helixtrans-55.4-43.5177.7-164.7-163.3134.400111.4R571 F576 S577 S578 Q583 E584 R585R571-E581 IonicContact NH1-OE1 3.39Å; F576-E581 HydrophobicContact CB-CB 4.48Å; F576-E581 HydrophobicContact CD1-CB 4.39Å; F576-E581 HydrophobicContact CD1-CG 3.93Å; F576-E581 VanDerWaalsContact CD1-OE1 3.29Å; F576-E581 WeakPolarHBondContact CD1-OE1 3.35Å; S577-E581 WeakPolarHBondContact CA-OE2 3.38Å; S577-E581 WeakPolarHBondContact CB-OE2 3.39Å; S577-E581 PolarHBondContact N-OE2 3.41Å; S577-E581 PolarHBondContact OG-OE2 3.17Å; S578-E581 PolarHBondContact O-N 3.12Å; S578-E581 PolarHBondContact OG-N 3.21Å; S578-E581 VanDerWaalsContact OG-N 3.1Å; E581-Q583 PolarHBondContact O-N 3.5Å; E581-E584 WeakPolarHBondContact CA-OE2 3.18Å; E581-E584 PolarHBondContact O-N 3.4Å; E581-R585 PolarHBondContact O-N 3.21Å
582W92.5Very high91.8Very high3 Ų375 Ų751%0.01136%0.357CS..Hα-helixtrans-59.7-40.3171.8174.9-111.3000113.4R573 F576 S578 R580 I586 T624 I627R573-W582 HydrophobicContact CB-CD2 4.41Å; R573-W582 HydrophobicContact CB-CE3 4.22Å; R573-W582 HydrophobicContact CB-CH2 3.85Å; R573-W582 HydrophobicContact CB-CZ2 4.06Å; R573-W582 HydrophobicContact CB-CZ3 3.93Å; R573-W582 HydrophobicContact CG-CD2 3.97Å; R573-W582 HydrophobicContact CG-CE3 4.26Å; R573-W582 HydrophobicContact CG-CG 4.49Å; R573-W582 HydrophobicContact CG-CH2 4.25Å; R573-W582 HydrophobicContact CG-CZ2 3.96Å; R573-W582 HydrophobicContact CG-CZ3 4.38Å; F576-W582 HydrophobicContact CB-CB 4.26Å; F576-W582 AromaticContact CD2-CE3 3.53Å; F576-W582 HydrophobicContact CD2-CE3 3.53Å; F576-W582 HydrophobicContact CD2-CZ3 4.03Å; F576-W582 AromaticContact CE2-CE3 3.51Å; F576-W582 HydrophobicContact CE2-CE3 3.51Å; F576-W582 AromaticContact CE2-CZ3 3.64Å; F576-W582 HydrophobicContact CE2-CZ3 3.64Å; F576-W582 HydrophobicContact CG-CB 4.35Å; F576-W582 HydrophobicContact CG-CE3 4.09Å; F576-W582 HydrophobicContact CZ-CE3 4.05Å; F576-W582 HydrophobicContact CZ-CZ3 4.28Å; S578-W582 PolarHBondContact O-N 3.5Å; S578-W582 VanDerWaalsContact O-N 3.16Å; R580-W582 VanDerWaalsContact C-N 3.27Å; R580-W582 PolarHBondContact O-N 2.78Å; W582-I586 HydrophobicContact CD2-CD1 4.11Å; W582-I586 HydrophobicContact CG-CD1 4.33Å; W582-I586 HydrophobicContact CZ2-CD1 3.96Å; W582-I586 WeakPolarHBondContact O-CD1 3.33Å; W582-I586 VanDerWaalsContact O-CG1 3.28Å; W582-I586 WeakPolarHBondContact O-CG1 3.45Å; W582-I586 PolarHBondContact O-N 2.76Å; W582-T624 HydrophobicContact CH2-CG2 4.49Å; W582-T624 HydrophobicContact CZ2-CG2 3.92Å; W582-T624 VanDerWaalsContact CZ2-O 3.25Å; W582-T624 WeakPolarHBondContact CZ2-O 3.31Å; W582-I627 HydrophobicContact CE3-CD1 3.9Å; W582-I627 HydrophobicContact CE3-CG1 4.24Å; W582-I627 HydrophobicContact CH2-CD1 4.24Å; W582-I627 HydrophobicContact CH2-CG1 3.66Å; W582-I627 HydrophobicContact CZ3-CD1 3.66Å; W582-I627 HydrophobicContact CZ3-CG1 3.51Å
583Q94.2Very high92.4Very high71 Ų7170 Ų7033%0.33234%0.336SS..Hα-helixtrans-71.2-33175.1-79.1177.6-16.700112.6R579 R580 E581 A587 S620R579-Q583 VanDerWaalsContact O-CG 3.31Å; R579-Q583 WeakPolarHBondContact O-CG 3.31Å; R579-Q583 PolarHBondContact O-N 2.89Å; R579-Q583 VanDerWaalsContact O-N 3.15Å; R580-Q583 CarbonylContact O-C 3.6Å; R580-Q583 WeakPolarHBondContact O-CA 3.4Å; R580-Q583 WeakPolarHBondContact O-CB 3.43Å; R580-Q583 PolarHBondContact O-N 2.95Å; E581-Q583 PolarHBondContact O-N 3.5Å; Q583-A587 VanDerWaalsContact O-CB 3.25Å; Q583-A587 WeakPolarHBondContact O-CB 3.46Å; Q583-A587 PolarHBondContact O-N 3.33Å; Q583-S620 VanDerWaalsContact CG-OG 3.24Å; Q583-S620 WeakPolarHBondContact CG-OG 3.39Å; Q583-S620 PolarHBondContact NE2-OG 2.95Å
584E95.3Very high92.9Very high96 Ų9667 Ų6745%0.44933%0.325SS..Hα-helixtrans-68.8-45.8177.4-74.1158.7173.300110.9R580 E581 I586 A587 L588R580-E584 WeakPolarHBondContact CD-OE1 3.23Å; R580-E584 HydrophobicContact CG-CG 4.4Å; R580-E584 WeakPolarHBondContact CG-OE1 3.3Å; R580-E584 WeakPolarHBondContact O-CG 3.46Å; R580-E584 PolarHBondContact O-N 2.71Å; E581-E584 WeakPolarHBondContact CA-OE2 3.18Å; E581-E584 PolarHBondContact O-N 3.4Å; E584-I586 VanDerWaalsContact C-N 3.34Å; E584-I586 PolarHBondContact O-N 2.88Å; E584-A587 PolarHBondContact O-N 3.41Å; E584-A587 VanDerWaalsContact O-N 3.07Å; E584-L588 WeakPolarHBondContact O-CG 3.4Å; E584-L588 PolarHBondContact O-N 2.82Å
585R93.9Very high93.3Very high40 Ų4064.5 Ų64.515%0.15132%0.318CS..Hα-helixtrans-65.8-33.6175.1-170.965.5-169.481.1-5.5112.8F576 E581 E589 I627F576-R585 HydrophobicContact CE1-CB 3.84Å; F576-R585 HydrophobicContact CE1-CG 4.13Å; F576-R585 HydrophobicContact CZ-CB 4.36Å; F576-R585 HydrophobicContact CZ-CG 4.27Å; E581-R585 PolarHBondContact O-N 3.21Å; R585-E589 IonicContact CZ-OE2 2.64Å; R585-E589 IonicContact NH1-OE2 2.65Å; R585-E589 PolarHBondContact NH1-OE2 2.91Å; R585-E589 IonicContact NH2-OE2 3.84Å; R585-E589 PolarHBondContact NH2-OE2 3.07Å; R585-E589 VanDerWaalsContact NH2-OE2 3.15Å; R585-E589 PolarHBondContact O-N 3.44Å; R585-I627 HydrophobicContact CB-CD1 3.68Å; R585-I627 HydrophobicContact CG-CD1 3.43Å; R585-I627 VanDerWaalsContact CG-CD1 3.43Å
586I94.8Very high93.8Very high1 Ų164 Ų641%0.00532%0.319CS..Hα-helixtrans-66.3-41.2168.8-70.7167.2000111.2W582 E584 E589 V590 V616 I619 I627W582-I586 HydrophobicContact CD2-CD1 4.11Å; W582-I586 HydrophobicContact CG-CD1 4.33Å; W582-I586 HydrophobicContact CZ2-CD1 3.96Å; W582-I586 WeakPolarHBondContact O-CD1 3.33Å; W582-I586 VanDerWaalsContact O-CG1 3.28Å; W582-I586 WeakPolarHBondContact O-CG1 3.45Å; W582-I586 PolarHBondContact O-N 2.76Å; E584-I586 VanDerWaalsContact C-N 3.34Å; E584-I586 PolarHBondContact O-N 2.88Å; I586-E589 PolarHBondContact O-N 3.22Å; I586-V590 HydrophobicContact CG2-CG2 4.27Å; I586-V590 WeakPolarHBondContact O-CG2 3.06Å; I586-V590 PolarHBondContact O-N 3.22Å; I586-V616 HydrophobicContact CG2-CB 4.39Å; I586-V616 HydrophobicContact CG2-CG1 4.12Å; I586-V616 HydrophobicContact CG2-CG2 4.29Å; I586-I619 HydrophobicContact CD1-CG2 3.89Å; I586-I619 HydrophobicContact CG1-CG2 4.2Å; I586-I619 HydrophobicContact CG2-CB 3.97Å; I586-I619 HydrophobicContact CG2-CD1 4Å; I586-I619 HydrophobicContact CG2-CG2 3.93Å; I586-I627 HydrophobicContact CG1-CD1 3.95Å; I586-I627 HydrophobicContact CG1-CG1 4.19Å
587A96.2Very high94.2Very high32 Ų3263.7 Ų63.726%0.26432%0.32SS..Hα-helixtrans-67.1-36-179.200000112.3Q583 E584 K591 V616Q583-A587 VanDerWaalsContact O-CB 3.25Å; Q583-A587 WeakPolarHBondContact O-CB 3.46Å; Q583-A587 PolarHBondContact O-N 3.33Å; E584-A587 PolarHBondContact O-N 3.41Å; E584-A587 VanDerWaalsContact O-N 3.07Å; A587-K591 WeakPolarHBondContact O-CB 3.12Å; A587-K591 PolarHBondContact O-N 3.1Å; A587-V616 HydrophobicContact CB-CG1 4.42Å; A587-V616 HydrophobicContact CB-CG2 4.02Å
588L96.2Very high94.7Very high104 Ų10463.3 Ų63.355%0.54530%0.302SS..Hα-helixtrans-59.8-44.7169.8-69.5172.9000111.5E584 K591 S592E584-L588 WeakPolarHBondContact O-CG 3.4Å; E584-L588 PolarHBondContact O-N 2.82Å; L588-K591 WeakPolarHBondContact O-CB 3.26Å; L588-K591 PolarHBondContact O-N 2.87Å; L588-S592 PolarHBondContact O-N 3.01Å
589E95.1Very high94.9Very high16 Ų1664.6 Ų64.68%0.07531%0.312CS..Hα-helixtrans-70.9-35.5-179.9-15261.9-138.800113R585 I586 K591 S592 V593 I627 T629 I632R585-E589 IonicContact CZ-OE2 2.64Å; R585-E589 IonicContact NH1-OE2 2.65Å; R585-E589 PolarHBondContact NH1-OE2 2.91Å; R585-E589 IonicContact NH2-OE2 3.84Å; R585-E589 PolarHBondContact NH2-OE2 3.07Å; R585-E589 VanDerWaalsContact NH2-OE2 3.15Å; R585-E589 PolarHBondContact O-N 3.44Å; I586-E589 PolarHBondContact O-N 3.22Å; E589-K591 VanDerWaalsContact C-N 3.33Å; E589-S592 PolarHBondContact O-OG 2.96Å; E589-V593 WeakPolarHBondContact O-CG2 3.45Å; E589-V593 PolarHBondContact O-N 3.47Å; E589-I627 HydrophobicContact CB-CG2 4.17Å; E589-I627 HydrophobicContact CG-CG2 4.06Å; E589-T629 VanDerWaalsContact CD-OG1 3.25Å; E589-T629 WeakPolarHBondContact OE1-CB 3.47Å; E589-T629 WeakPolarHBondContact OE1-CG2 3.45Å; E589-T629 PolarHBondContact OE1-OG1 3.44Å; E589-I632 HydrophobicContact CB-CD1 4.01Å; E589-I632 HydrophobicContact CB-CG2 4.24Å; E589-I632 HydrophobicContact CG-CB 4.29Å; E589-I632 HydrophobicContact CG-CD1 3.74Å; E589-I632 HydrophobicContact CG-CG2 4.06Å
590V97.2Very high95.1Very high0 Ų063 Ų630%031%0.314CS..Hα-helixtrans-68.6-35.5171.2169.90000110.8I586 L594 M612 A615 V616 I619 I632 V636I586-V590 HydrophobicContact CG2-CG2 4.27Å; I586-V590 WeakPolarHBondContact O-CG2 3.06Å; I586-V590 PolarHBondContact O-N 3.22Å; V590-L594 HydrophobicContact CG1-CD1 3.76Å; V590-L594 HydrophobicContact CG1-CG 4.38Å; V590-L594 WeakPolarHBondContact O-CB 3.18Å; V590-L594 VanDerWaalsContact O-CG 3.27Å; V590-L594 WeakPolarHBondContact O-CG 3.34Å; V590-L594 PolarHBondContact O-N 3.37Å; V590-M612 HydrophobicContact CG1-CG 4.42Å; V590-A615 HydrophobicContact CG1-CB 4.12Å; V590-A615 HydrophobicContact CG2-CB 4.24Å; V590-V616 HydrophobicContact CB-CG2 3.99Å; V590-V616 HydrophobicContact CG1-CG2 4.16Å; V590-V616 HydrophobicContact CG2-CG2 3.94Å; V590-I619 HydrophobicContact CG2-CD1 3.56Å; V590-I632 HydrophobicContact CG2-CG2 3.92Å; V590-V636 HydrophobicContact CG1-CG2 4.12Å; V590-V636 HydrophobicContact CG2-CG2 4.17Å
591K96.8Very high95Very high116 Ų11665 Ų6550%0.50432%0.321SS..Hα-helixtrans-70-38.9177.6-178.7178.4171.9-175.50112.4A587 L588 E589 L594 K595 M612A587-K591 WeakPolarHBondContact O-CB 3.12Å; A587-K591 PolarHBondContact O-N 3.1Å; L588-K591 WeakPolarHBondContact O-CB 3.26Å; L588-K591 PolarHBondContact O-N 2.87Å; E589-K591 VanDerWaalsContact C-N 3.33Å; K591-L594 PolarHBondContact O-N 3.3Å; K591-K595 PolarHBondContact O-N 3.03Å; K591-M612 HydrophobicContact CB-CE 3.89Å; K591-M612 HydrophobicContact CG-CE 4.19Å
592S96.3Very high95Very high62 Ų6270.8 Ų70.843%0.43434%0.341SS..Hα-helixtrans-61.4-44.3177.164.80000111.2L588 E589 P596L588-S592 PolarHBondContact O-N 3.01Å; E589-S592 PolarHBondContact O-OG 2.96Å; S592-P596 WeakPolarHBondContact O-CD 3.18Å
593V95.8Very high95Very high19 Ų1970.8 Ų70.812%0.11534%0.341CS..Hα-helixtrans-69.7-38.1176.9-1790000112.5E589 P596 V636E589-V593 WeakPolarHBondContact O-CG2 3.45Å; E589-V593 PolarHBondContact O-N 3.47Å; V593-P596 WeakPolarHBondContact O-CD 3.3Å; V593-P596 WeakPolarHBondContact O-CG 3.43Å; V593-V636 HydrophobicContact CB-CB 4.43Å; V593-V636 HydrophobicContact CB-CG1 4.2Å; V593-V636 HydrophobicContact CG1-CB 3.87Å; V593-V636 HydrophobicContact CG1-CG1 3.65Å
594L96.4Very high94.9Very high0 Ų070.9 Ų70.90%034%0.344CS..Hα-helixtrans-71.9-29.4179.3-76.6172.7000113.7V590 K591 A597 Y598 I603 Y608 I611 M612 V636 I640V590-L594 HydrophobicContact CG1-CD1 3.76Å; V590-L594 HydrophobicContact CG1-CG 4.38Å; V590-L594 WeakPolarHBondContact O-CB 3.18Å; V590-L594 VanDerWaalsContact O-CG 3.27Å; V590-L594 WeakPolarHBondContact O-CG 3.34Å; V590-L594 PolarHBondContact O-N 3.37Å; K591-L594 PolarHBondContact O-N 3.3Å; L594-A597 PolarHBondContact O-N 3.06Å; L594-Y598 PolarHBondContact O-N 3.02Å; L594-I603 HydrophobicContact CD2-CD1 3.68Å; L594-Y608 HydrophobicContact CB-CD2 3.88Å; L594-Y608 HydrophobicContact CB-CE2 3.6Å; L594-Y608 HydrophobicContact CD1-CD2 4.27Å; L594-Y608 HydrophobicContact CD1-CE2 4.29Å; L594-I611 HydrophobicContact CD1-CG2 4.41Å; L594-I611 HydrophobicContact CD2-CB 4.37Å; L594-I611 HydrophobicContact CD2-CG2 3.86Å; L594-M612 HydrophobicContact CD1-CB 3.89Å; L594-M612 HydrophobicContact CD1-CE 4.06Å; L594-V636 HydrophobicContact CD2-CG1 3.69Å; L594-V636 HydrophobicContact CG-CG1 3.88Å; L594-I640 HydrophobicContact CD2-CD1 4.28Å; L594-I640 HydrophobicContact CD2-CG1 4.32Å
595K95.5Very high94.9Very high146 Ų14671.2 Ų71.264%0.63534%0.344SS*.Hα-helixtrans-51.8-56.3-178.1-176-179.8174.5-174.20113.1K591 A597 Y598 S599K591-K595 PolarHBondContact O-N 3.03Å; K595-A597 PolarHBondContact O-N 3.02Å; K595-Y598 PolarHBondContact O-N 2.96Å; K595-S599 PolarHBondContact O-N 3.16Å; K595-S599 PolarHBondContact O-OG 3.39Å
596P95.7Very high94.9Very high69 Ų6974 Ų7445%0.44836%0.359SS..Hα-helixtrans-63.3-37.8179.124.7-34.6000112.7S592 V593 Y598 S599 L600S592-P596 WeakPolarHBondContact O-CD 3.18Å; V593-P596 WeakPolarHBondContact O-CD 3.3Å; V593-P596 WeakPolarHBondContact O-CG 3.43Å; P596-Y598 VanDerWaalsContact C-N 3.29Å; P596-Y598 PolarHBondContact O-N 2.92Å; P596-S599 PolarHBondContact O-N 3.29Å; P596-L600 WeakPolarHBondContact O-CD1 3.44Å; P596-L600 PolarHBondContact O-N 2.82Å
597A94.6Very high94.9Very high13 Ų1375.1 Ų75.111%0.10737%0.365CS..Hα-helixtrans-63.1-35.1178.300000112.8L594 K595 R602 I603 I640L594-A597 PolarHBondContact O-N 3.06Å; K595-A597 PolarHBondContact O-N 3.02Å; A597-R602 PolarHBondContact O-N 2.85Å; A597-I603 HydrophobicContact CB-CD1 4Å; A597-I603 HydrophobicContact CB-CG1 4.21Å; A597-I640 HydrophobicContact CB-CD1 3.61Å; A597-I640 HydrophobicContact CB-CG1 4.43Å
598Y96.4Very high94.9Very high105 Ų10576 Ų7641%0.41236%0.362SS..Hα-helixtrans-74.2-44.1173.6-174.6-104000112.2L594 K595 P596 L600 R601 I603 K605 Y608L594-Y598 PolarHBondContact O-N 3.02Å; K595-Y598 PolarHBondContact O-N 2.96Å; P596-Y598 VanDerWaalsContact C-N 3.29Å; P596-Y598 PolarHBondContact O-N 2.92Å; Y598-L600 VanDerWaalsContact C-N 3.34Å; Y598-L600 PolarHBondContact O-N 3.21Å; Y598-R601 WeakPolarHBondContact O-CA 3.37Å; Y598-R601 PolarHBondContact O-N 3.15Å; Y598-I603 HydrophobicContact CD2-CG1 4.47Å; Y598-K605 HydrophobicContact CE2-CB 4.25Å; Y598-Y608 HydrophobicContact CD2-CD2 4.24Å; Y598-Y608 HydrophobicContact CD2-CG 4.43Å; Y598-Y608 HydrophobicContact CG-CD2 4.22Å
599S95.3Very high94.9Very high81 Ų8177.3 Ų77.357%0.56636%0.363SS*.Hα-helixtrans-59.4-40.9176.4-67.60000112.9K595 P596 R601K595-S599 PolarHBondContact O-N 3.16Å; K595-S599 PolarHBondContact O-OG 3.39Å; P596-S599 PolarHBondContact O-N 3.29Å; S599-R601 PolarHBondContact O-N 3.44Å
600L93.7Very high94.9Very high119 Ų11980.5 Ų80.562%0.62338%0.378SS*.THydrogen-bonded Turntrans-77.512.8173.7-79.980.7000113.3P596 Y598 R602P596-L600 WeakPolarHBondContact O-CD1 3.44Å; P596-L600 PolarHBondContact O-N 2.82Å; Y598-L600 VanDerWaalsContact C-N 3.34Å; Y598-L600 PolarHBondContact O-N 3.21Å; L600-R602 HydrophobicContact CB-CG 3.99Å; L600-R602 WeakPolarHBondContact O-CG 3.48Å; L600-R602 PolarHBondContact O-N 2.88Å
601R92.2Very high94.9Very high223 Ų22380.5 Ų80.584%0.84238%0.378SS*.THydrogen-bonded Turntrans52.921.6-179.1-59-176.9178.1-179.8-0.5115Y598 S599 I603Y598-R601 WeakPolarHBondContact O-CA 3.37Å; Y598-R601 PolarHBondContact O-N 3.15Å; S599-R601 PolarHBondContact O-N 3.44Å; R601-I603 VanDerWaalsContact C-N 3.28Å; R601-I603 PolarHBondContact O-N 2.97Å
602R90.5Very high94.9Very high170 Ų17077.1 Ų77.164%0.64236%0.364SS*.SBendtrans-76.4-16.4-178.5-57.3-17372.61512112.9A597 L600A597-R602 PolarHBondContact O-N 2.85Å; L600-R602 HydrophobicContact CB-CG 3.99Å; L600-R602 WeakPolarHBondContact O-CG 3.48Å; L600-R602 PolarHBondContact O-N 2.88Å
603I92.4Very high94.9Very high4 Ų481.7 Ų81.72%0.02138%0.376CS..SBendtrans-134.9149.3173.453.8175.9000110L594 A597 Y598 R601 D607 Y608 I611 I640L594-I603 HydrophobicContact CD2-CD1 3.68Å; A597-I603 HydrophobicContact CB-CD1 4Å; A597-I603 HydrophobicContact CB-CG1 4.21Å; Y598-I603 HydrophobicContact CD2-CG1 4.47Å; R601-I603 VanDerWaalsContact C-N 3.28Å; R601-I603 PolarHBondContact O-N 2.97Å; I603-D607 HydrophobicContact CB-CB 4.12Å; I603-D607 HydrophobicContact CG2-CB 4.46Å; I603-Y608 HydrophobicContact CD1-CD2 4.1Å; I603-I611 HydrophobicContact CG2-CD1 4.21Å; I603-I640 HydrophobicContact CG2-CB 4.34Å; I603-I640 HydrophobicContact CG2-CG1 4.08Å; I603-I640 HydrophobicContact CG2-CG2 3.83Å
604N93.2Very high94.9Very high73 Ų7384.4 Ų84.439%0.3939%0.387SS..  trans-87.7171.5175.6-74.425.9000111E606 D607 Y608 R647N604-E606 PolarHBondContact O-N 3.49Å; N604-D607 PolarHBondContact O-N 3.43Å; N604-Y608 VanDerWaalsContact O-CB 3.3Å; N604-Y608 WeakPolarHBondContact O-CB 3.14Å; N604-Y608 PolarHBondContact O-N 3.27Å; N604-R647 VanDerWaalsContact N-NH2 3.19Å; N604-R647 VanDerWaalsContact OD1-CZ 3.22Å; N604-R647 PolarHBondContact OD1-NH1 3.39Å; N604-R647 PolarHBondContact OD1-NH2 3.43Å
605K94.7Very high94.9Very high102 Ų10284.4 Ų84.444%0.44339%0.387SS..Hα-helixtrans-58.3-32.4177.3-178.3170.5100.4-67.50112.4Y598 K609Y598-K605 HydrophobicContact CE2-CB 4.25Å; K605-K609 WeakPolarHBondContact O-CG 3.41Å; K605-K609 PolarHBondContact O-N 3.19Å; K605-K609 VanDerWaalsContact O-N 3.11Å
606E94Very high94.9Very high99 Ų9978.4 Ų78.446%0.46336%0.362SS..Hα-helixtrans-76-49.2-178.4-68.954-118.100110.1N604 Y608 K609 E610N604-E606 PolarHBondContact O-N 3.49Å; E606-Y608 VanDerWaalsContact C-N 3.33Å; E606-Y608 PolarHBondContact O-N 3.16Å; E606-K609 PolarHBondContact O-N 3.46Å; E606-E610 PolarHBondContact O-N 3.33Å
607D94.1Very high94.9Very high25 Ų2577.7 Ų77.713%0.13436%0.357CS..Hα-helixtrans-58.6-43.5172-64.6-6000111.2I603 N604 K609 E610 I611 Y643 R647I603-D607 HydrophobicContact CB-CB 4.12Å; I603-D607 HydrophobicContact CG2-CB 4.46Å; N604-D607 PolarHBondContact O-N 3.43Å; D607-K609 PolarHBondContact O-N 3.45Å; D607-E610 PolarHBondContact O-N 2.81Å; D607-I611 HydrophobicContact CB-CD1 4.35Å; D607-I611 VanDerWaalsContact O-CB 3.28Å; D607-I611 WeakPolarHBondContact O-CB 3.22Å; D607-I611 WeakPolarHBondContact O-CG1 3.39Å; D607-I611 PolarHBondContact O-N 3.05Å; D607-Y643 HydrophobicContact CB-CD1 3.96Å; D607-Y643 WeakPolarHBondContact OD1-CD1 3.38Å; D607-R647 IonicContact OD2-CZ 3.39Å; D607-R647 IonicContact OD2-NE 3.74Å; D607-R647 IonicContact OD2-NH2 2.69Å; D607-R647 PolarHBondContact OD2-NH2 3.31Å
608Y96.8Very high94.9Very high50 Ų5081.6 Ų81.620%0.19637%0.371CS..Hα-helixtrans-57.3-48.3176.4175.9-84000111.4L594 Y598 I603 N604 E606 M612L594-Y608 HydrophobicContact CB-CD2 3.88Å; L594-Y608 HydrophobicContact CB-CE2 3.6Å; L594-Y608 HydrophobicContact CD1-CD2 4.27Å; L594-Y608 HydrophobicContact CD1-CE2 4.29Å; Y598-Y608 HydrophobicContact CD2-CD2 4.24Å; Y598-Y608 HydrophobicContact CD2-CG 4.43Å; Y598-Y608 HydrophobicContact CG-CD2 4.22Å; I603-Y608 HydrophobicContact CD1-CD2 4.1Å; N604-Y608 VanDerWaalsContact O-CB 3.3Å; N604-Y608 WeakPolarHBondContact O-CB 3.14Å; N604-Y608 PolarHBondContact O-N 3.27Å; E606-Y608 VanDerWaalsContact C-N 3.33Å; E606-Y608 PolarHBondContact O-N 3.16Å; Y608-M612 HydrophobicContact CE1-CE 3.73Å; Y608-M612 HydrophobicContact CE1-SD 4.43Å; Y608-M612 HydrophobicContact CE2-CE 4.42Å; Y608-M612 WeakPolarHBondContact O-CB 3.29Å; Y608-M612 PolarHBondContact O-N 3.31Å; Y608-M612 WeakPolarHBondContact OH-CE 3.25Å
609K96.1Very high94.8Very high132 Ų13276.6 Ų76.657%0.57435%0.352SS*.Hα-helixtrans-61.7-44.3175.4-77.1179.5178.2-172.90111.8K605 E606 D607 K613K605-K609 WeakPolarHBondContact O-CG 3.41Å; K605-K609 PolarHBondContact O-N 3.19Å; K605-K609 VanDerWaalsContact O-N 3.11Å; E606-K609 PolarHBondContact O-N 3.46Å; D607-K609 PolarHBondContact O-N 3.45Å; K609-K613 WeakPolarHBondContact O-CB 3.38Å; K609-K613 PolarHBondContact O-N 3.1Å
610E96.1Very high94.7Very high82 Ų8272.8 Ų72.838%0.38333%0.325SS..Hα-helixtrans-75.2-39.9-174.7-142.4-164.2171.700112.8E606 D607 K613 K614 Y643E606-E610 PolarHBondContact O-N 3.33Å; D607-E610 PolarHBondContact O-N 2.81Å; E610-K613 PolarHBondContact O-N 2.64Å; E610-K614 HydrophobicContact CG-CD 4.21Å; E610-K614 VanDerWaalsContact O-CB 3.26Å; E610-K614 WeakPolarHBondContact O-CB 3.47Å; E610-K614 WeakPolarHBondContact O-CG 3.11Å; E610-K614 PolarHBondContact O-N 2.75Å; E610-K614 WeakPolarHBondContact OE1-CE 3.24Å; E610-K614 IonicContact OE1-NZ 2.65Å; E610-K614 PolarHBondContact OE1-NZ 2.99Å; E610-K614 IonicContact OE2-NZ 2.66Å; E610-K614 PolarHBondContact OE2-NZ 3.14Å; E610-Y643 HydrophobicContact CB-CE1 4.37Å; E610-Y643 VanDerWaalsContact OE2-CE1 3.32Å; E610-Y643 WeakPolarHBondContact OE2-CE1 3.32Å; E610-Y643 PolarHBondContact OE2-OH 3.31Å
611I96.3Very high94.6Very high0 Ų076 Ų760%033%0.329CS..Hα-helixtrans-62.3-46.5172.3-65.1166.8000109.7L594 I603 D607 K613 K614 A615 V636 Y639 I640 Y643L594-I611 HydrophobicContact CD1-CG2 4.41Å; L594-I611 HydrophobicContact CD2-CB 4.37Å; L594-I611 HydrophobicContact CD2-CG2 3.86Å; I603-I611 HydrophobicContact CG2-CD1 4.21Å; D607-I611 HydrophobicContact CB-CD1 4.35Å; D607-I611 VanDerWaalsContact O-CB 3.28Å; D607-I611 WeakPolarHBondContact O-CB 3.22Å; D607-I611 WeakPolarHBondContact O-CG1 3.39Å; D607-I611 PolarHBondContact O-N 3.05Å; I611-K613 PolarHBondContact O-N 3.08Å; I611-K614 PolarHBondContact O-N 2.88Å; I611-A615 WeakPolarHBondContact O-CB 3.44Å; I611-A615 PolarHBondContact O-N 3.44Å; I611-V636 HydrophobicContact CG2-CG1 4.47Å; I611-Y639 HydrophobicContact CG1-CD1 4.47Å; I611-Y639 HydrophobicContact CG2-CG 4.22Å; I611-I640 HydrophobicContact CD1-CG1 4.17Å; I611-Y643 HydrophobicContact CD1-CD2 4.07Å; I611-Y643 HydrophobicContact CD1-CG 4.04Å; I611-Y643 HydrophobicContact CG1-CD2 3.82Å; I611-Y643 HydrophobicContact CG1-CE2 3.94Å; I611-Y643 HydrophobicContact CG1-CG 4.14Å
612M96.8Very high94.6Very high45 Ų4566.6 Ų66.622%0.22230%0.297CS..Hα-helixtrans-57.3-50.7176-177.9173.2-74.400111.5V590 K591 L594 Y608 K614 V616V590-M612 HydrophobicContact CG1-CG 4.42Å; K591-M612 HydrophobicContact CB-CE 3.89Å; K591-M612 HydrophobicContact CG-CE 4.19Å; L594-M612 HydrophobicContact CD1-CB 3.89Å; L594-M612 HydrophobicContact CD1-CE 4.06Å; Y608-M612 HydrophobicContact CE1-CE 3.73Å; Y608-M612 HydrophobicContact CE1-SD 4.43Å; Y608-M612 HydrophobicContact CE2-CE 4.42Å; Y608-M612 WeakPolarHBondContact O-CB 3.29Å; Y608-M612 PolarHBondContact O-N 3.31Å; Y608-M612 WeakPolarHBondContact OH-CE 3.25Å; M612-K614 PolarHBondContact O-N 3Å; M612-V616 HydrophobicContact CG-CG2 4.47Å; M612-V616 WeakPolarHBondContact O-CB 3.34Å; M612-V616 VanDerWaalsContact O-CG2 3.3Å; M612-V616 WeakPolarHBondContact O-CG2 3.3Å; M612-V616 PolarHBondContact O-N 2.99Å; M612-V616 VanDerWaalsContact O-N 3.07Å
613K96.6Very high94.2Very high158 Ų15861 Ų6169%0.68729%0.292SS*.Hα-helixtrans-60.3-45.1178.8-174.6175.9-179.4178.60112.3K609 E610 I611 T617K609-K613 WeakPolarHBondContact O-CB 3.38Å; K609-K613 PolarHBondContact O-N 3.1Å; E610-K613 PolarHBondContact O-N 2.64Å; I611-K613 PolarHBondContact O-N 3.08Å; K613-T617 VanDerWaalsContact O-CB 3.24Å; K613-T617 WeakPolarHBondContact O-CB 3.25Å; K613-T617 PolarHBondContact O-N 3.34Å; K613-T617 PolarHBondContact O-OG1 3.34Å
614K96Very high94Very high76 Ų7661.7 Ų61.733%0.3330%0.296SS..Hα-helixtrans-70.3-47.1-179.3-76.9171.5171.3171.30111.8E610 I611 M612 T617 K618 Y639 Y643E610-K614 HydrophobicContact CG-CD 4.21Å; E610-K614 VanDerWaalsContact O-CB 3.26Å; E610-K614 WeakPolarHBondContact O-CB 3.47Å; E610-K614 WeakPolarHBondContact O-CG 3.11Å; E610-K614 PolarHBondContact O-N 2.75Å; E610-K614 WeakPolarHBondContact OE1-CE 3.24Å; E610-K614 IonicContact OE1-NZ 2.65Å; E610-K614 PolarHBondContact OE1-NZ 2.99Å; E610-K614 IonicContact OE2-NZ 2.66Å; E610-K614 PolarHBondContact OE2-NZ 3.14Å; I611-K614 PolarHBondContact O-N 2.88Å; M612-K614 PolarHBondContact O-N 3Å; K614-T617 PolarHBondContact O-N 3.37Å; K614-K618 WeakPolarHBondContact O-CB 3.46Å; K614-K618 VanDerWaalsContact O-CG 3.31Å; K614-K618 WeakPolarHBondContact O-CG 3.35Å; K614-K618 PolarHBondContact O-N 2.68Å; K614-Y639 HydrophobicContact CB-CE1 3.93Å; K614-Y639 HydrophobicContact CD-CE1 4.19Å; K614-Y643 WeakPolarHBondContact CD-OH 3.39Å; K614-Y643 PolarHBondContact NZ-OH 3Å
615A96.2Very high93.6Very high0 Ų060.7 Ų60.70%030%0.295CS..Hα-helixtrans-64.7-53.4-177.100000111.8V590 I611 T617 K618 I619 F635 V636V590-A615 HydrophobicContact CG1-CB 4.12Å; V590-A615 HydrophobicContact CG2-CB 4.24Å; I611-A615 WeakPolarHBondContact O-CB 3.44Å; I611-A615 PolarHBondContact O-N 3.44Å; A615-T617 VanDerWaalsContact C-N 3.27Å; A615-T617 PolarHBondContact O-N 3.4Å; A615-K618 PolarHBondContact O-N 3.4Å; A615-K618 VanDerWaalsContact O-N 3.09Å; A615-I619 HydrophobicContact CB-CD1 4.39Å; A615-I619 WeakPolarHBondContact O-CD1 3.28Å; A615-I619 VanDerWaalsContact O-CG1 3.23Å; A615-I619 WeakPolarHBondContact O-CG1 3.44Å; A615-I619 PolarHBondContact O-N 3.02Å; A615-F635 HydrophobicContact CB-CD1 4.46Å; A615-F635 HydrophobicContact CB-CE1 4.23Å; A615-V636 HydrophobicContact CB-CG2 4.25Å
616V95.9Very high93.3Very high20 Ų2058.4 Ų58.412%0.12129%0.292CS..Hα-helixtrans-58.1-41.8178.7177.40000110.9I586 A587 V590 M612 K618 S620I586-V616 HydrophobicContact CG2-CB 4.39Å; I586-V616 HydrophobicContact CG2-CG1 4.12Å; I586-V616 HydrophobicContact CG2-CG2 4.29Å; A587-V616 HydrophobicContact CB-CG1 4.42Å; A587-V616 HydrophobicContact CB-CG2 4.02Å; V590-V616 HydrophobicContact CB-CG2 3.99Å; V590-V616 HydrophobicContact CG1-CG2 4.16Å; V590-V616 HydrophobicContact CG2-CG2 3.94Å; M612-V616 HydrophobicContact CG-CG2 4.47Å; M612-V616 WeakPolarHBondContact O-CB 3.34Å; M612-V616 VanDerWaalsContact O-CG2 3.3Å; M612-V616 WeakPolarHBondContact O-CG2 3.3Å; M612-V616 PolarHBondContact O-N 2.99Å; M612-V616 VanDerWaalsContact O-N 3.07Å; V616-K618 PolarHBondContact O-N 3.42Å; V616-S620 WeakPolarHBondContact O-CB 3.37Å; V616-S620 PolarHBondContact O-N 2.99Å
617T94.7Very high93.1Very high55 Ų5554.2 Ų54.234%0.33727%0.273SS..Hα-helixtrans-62.4-43.2176.5-62.20000112.4K613 K614 A615 R621K613-T617 VanDerWaalsContact O-CB 3.24Å; K613-T617 WeakPolarHBondContact O-CB 3.25Å; K613-T617 PolarHBondContact O-N 3.34Å; K613-T617 PolarHBondContact O-OG1 3.34Å; K614-T617 PolarHBondContact O-N 3.37Å; A615-T617 VanDerWaalsContact C-N 3.27Å; A615-T617 PolarHBondContact O-N 3.4Å; T617-R621 WeakPolarHBondContact O-CB 3.24Å; T617-R621 VanDerWaalsContact O-CG 3.29Å; T617-R621 WeakPolarHBondContact O-CG 3.37Å; T617-R621 PolarHBondContact O-N 3.12Å
618K95.4Very high92.9Very high94 Ų9455.5 Ų55.541%0.40928%0.28SS..Hα-helixtrans-70.7-47.5179.9-75.5-80.5-174.7168.10111.8L45 K614 A615 V616 S620 R621 S622 F635L45-K618 HydrophobicContact CD2-CB 4.26Å; L45-K618 HydrophobicContact CD2-CD 4.32Å; K614-K618 WeakPolarHBondContact O-CB 3.46Å; K614-K618 VanDerWaalsContact O-CG 3.31Å; K614-K618 WeakPolarHBondContact O-CG 3.35Å; K614-K618 PolarHBondContact O-N 2.68Å; A615-K618 PolarHBondContact O-N 3.4Å; A615-K618 VanDerWaalsContact O-N 3.09Å; V616-K618 PolarHBondContact O-N 3.42Å; K618-S620 PolarHBondContact O-N 3.42Å; K618-R621 CarbonylContact O-C 3.49Å; K618-R621 PolarHBondContact O-N 3.38Å; K618-S622 WeakPolarHBondContact O-CB 3.45Å; K618-S622 PolarHBondContact O-N 3.45Å; K618-F635 HydrophobicContact CB-CE1 4.01Å; K618-F635 HydrophobicContact CB-CZ 3.71Å; K618-F635 HydrophobicContact CG-CZ 4.39Å
619I94.5Very high92.7Very high1 Ų156.4 Ų56.41%0.00529%0.291CS..Hα-helixtrans-61.1-47.6178-58.2158.3000109.9F47 I586 V590 A615 R621 S622 T624 I632 F635F47-I619 HydrophobicContact CD2-CG1 4.47Å; F47-I619 HydrophobicContact CE1-CG2 4.11Å; F47-I619 HydrophobicContact CE2-CG1 3.75Å; F47-I619 HydrophobicContact CE2-CG2 4.47Å; F47-I619 HydrophobicContact CZ-CD1 4.44Å; F47-I619 HydrophobicContact CZ-CG1 3.89Å; F47-I619 HydrophobicContact CZ-CG2 4.08Å; I586-I619 HydrophobicContact CD1-CG2 3.89Å; I586-I619 HydrophobicContact CG1-CG2 4.2Å; I586-I619 HydrophobicContact CG2-CB 3.97Å; I586-I619 HydrophobicContact CG2-CD1 4Å; I586-I619 HydrophobicContact CG2-CG2 3.93Å; V590-I619 HydrophobicContact CG2-CD1 3.56Å; A615-I619 HydrophobicContact CB-CD1 4.39Å; A615-I619 WeakPolarHBondContact O-CD1 3.28Å; A615-I619 VanDerWaalsContact O-CG1 3.23Å; A615-I619 WeakPolarHBondContact O-CG1 3.44Å; A615-I619 PolarHBondContact O-N 3.02Å; I619-R621 PolarHBondContact O-N 3.35Å; I619-S622 WeakPolarHBondContact O-CB 3.21Å; I619-S622 PolarHBondContact O-N 3.42Å; I619-S622 VanDerWaalsContact O-N 3.12Å; I619-S622 PolarHBondContact O-OG 2.95Å; I619-T624 HydrophobicContact CG2-CG2 3.98Å; I619-I632 HydrophobicContact CD1-CG1 4.21Å; I619-I632 HydrophobicContact CD1-CG2 4.21Å; I619-F635 HydrophobicContact CD1-CD1 3.99Å; I619-F635 HydrophobicContact CD1-CE1 4.25Å; I619-F635 HydrophobicContact CG1-CD1 3.78Å; I619-F635 HydrophobicContact CG1-CE1 3.74Å
620S92.7Very high92.6Very high0 Ų056 Ų560%029%0.29CS..Hα-helixtrans-59.7-32.1177.8-175.20000113.3R573 Q583 V616 K618R573-S620 PolarHBondContact NH2-O 3.11Å; Q583-S620 VanDerWaalsContact CG-OG 3.24Å; Q583-S620 WeakPolarHBondContact CG-OG 3.39Å; Q583-S620 PolarHBondContact NE2-OG 2.95Å; V616-S620 WeakPolarHBondContact O-CB 3.37Å; V616-S620 PolarHBondContact O-N 2.99Å; K618-S620 PolarHBondContact O-N 3.42Å
621R92.4Very high92.5Very high188 Ų18855 Ų5571%0.70929%0.285SS*.Hα-helixtrans-89.3-14.5177.4-73.3176.6171.1167.5-3.2114.7T617 K618 I619 G623T617-R621 WeakPolarHBondContact O-CB 3.24Å; T617-R621 VanDerWaalsContact O-CG 3.29Å; T617-R621 WeakPolarHBondContact O-CG 3.37Å; T617-R621 PolarHBondContact O-N 3.12Å; K618-R621 CarbonylContact O-C 3.49Å; K618-R621 PolarHBondContact O-N 3.38Å; I619-R621 PolarHBondContact O-N 3.35Å; R621-G623 PolarHBondContact O-N 3.43Å; R621-G623 VanDerWaalsContact O-N 3.17Å
622S90.9Very high92.4Very high25 Ų2555 Ų5518%0.17529%0.285CS..SBendtrans-67.6-13.2-172.867.60000115.8F47 K618 I619 T624F47-S622 WeakPolarHBondContact CB-OG 3.35Å; K618-S622 WeakPolarHBondContact O-CB 3.45Å; K618-S622 PolarHBondContact O-N 3.45Å; I619-S622 WeakPolarHBondContact O-CB 3.21Å; I619-S622 PolarHBondContact O-N 3.42Å; I619-S622 VanDerWaalsContact O-N 3.12Å; I619-S622 PolarHBondContact O-OG 2.95Å; S622-T624 VanDerWaalsContact C-N 3.33Å; S622-T624 PolarHBondContact OG-N 3.36Å
623G83.3Confident92.4Very high51 Ų5154 Ų5453%0.52628%0.282SS..  trans85.5-5.5-172.100000114.9R621 S625R621-G623 PolarHBondContact O-N 3.43Å; R621-G623 VanDerWaalsContact O-N 3.17Å; G623-S625 PolarHBondContact O-N 3.49Å
624T86.4Confident92.3Very high19 Ų1949.6 Ų49.612%0.11727%0.269CS..  trans-50.9137.8178.6-168.60000112.2F47 R573 W582 I619 S622 S626F47-T624 HydrophobicContact CD1-CG2 3.98Å; F47-T624 HydrophobicContact CE1-CG2 4.5Å; R573-T624 WeakPolarHBondContact CD-O 3.29Å; R573-T624 PolarHBondContact NH1-O 3.07Å; W582-T624 HydrophobicContact CH2-CG2 4.49Å; W582-T624 HydrophobicContact CZ2-CG2 3.92Å; W582-T624 VanDerWaalsContact CZ2-O 3.25Å; W582-T624 WeakPolarHBondContact CZ2-O 3.31Å; I619-T624 HydrophobicContact CG2-CG2 3.98Å; S622-T624 VanDerWaalsContact C-N 3.33Å; S622-T624 PolarHBondContact OG-N 3.36Å; T624-S626 PolarHBondContact OG1-O 2.98Å
625S85.9Confident92.3Very high52 Ų5246 Ų4636%0.36425%0.253SS..  trans-101.3-15.5-173.9-163.70000113.1K572 R573 G623K572-S625 CarbonylContact C-O 3.54Å; K572-S625 VanDerWaalsContact CA-O 3.3Å; K572-S625 WeakPolarHBondContact CA-O 3.37Å; R573-S625 PolarHBondContact N-O 3.3Å; G623-S625 PolarHBondContact O-N 3.49Å
626S89Confident92.3Very high55 Ų5546 Ų4639%0.38525%0.253SS..SBendtrans-135.9166.1174.558.40000111T624T624-S626 PolarHBondContact OG1-O 2.98Å
627I89.7Confident92.3Very high10 Ų1050.5 Ų50.55%0.05127%0.271CS..  trans-104.383-179-61.1179000107.8F576 W582 R585 I586 E589 I632F576-I627 HydrophobicContact CZ-CD1 4.12Å; W582-I627 HydrophobicContact CE3-CD1 3.9Å; W582-I627 HydrophobicContact CE3-CG1 4.24Å; W582-I627 HydrophobicContact CH2-CD1 4.24Å; W582-I627 HydrophobicContact CH2-CG1 3.66Å; W582-I627 HydrophobicContact CZ3-CD1 3.66Å; W582-I627 HydrophobicContact CZ3-CG1 3.51Å; R585-I627 HydrophobicContact CB-CD1 3.68Å; R585-I627 HydrophobicContact CG-CD1 3.43Å; R585-I627 VanDerWaalsContact CG-CD1 3.43Å; I586-I627 HydrophobicContact CG1-CD1 3.95Å; I586-I627 HydrophobicContact CG1-CG1 4.19Å; E589-I627 HydrophobicContact CB-CG2 4.17Å; E589-I627 HydrophobicContact CG-CG2 4.06Å; I627-I632 HydrophobicContact CG2-CD1 3.65Å
628N88.8Confident92.4Very high53 Ų5350.2 Ų50.228%0.28327%0.267SS..  trans-84.9115.5174.2172-61.3000109.6E630 K631 I632N628-E630 VanDerWaalsContact C-N 3.33Å; N628-E630 PolarHBondContact O-N 2.79Å; N628-E630 WeakPolarHBondContact OD1-CA 3.31Å; N628-E630 WeakPolarHBondContact OD1-CB 3.14Å; N628-E630 PolarHBondContact OD1-N 2.86Å; N628-K631 HydrophobicContact CB-CB 4.46Å; N628-K631 HydrophobicContact CB-CD 4.48Å; N628-K631 HydrophobicContact CB-CG 4.49Å; N628-K631 PolarHBondContact O-N 3.38Å; N628-K631 WeakPolarHBondContact OD1-CG 3.1Å; N628-K631 PolarHBondContact OD1-N 3.17Å; N628-I632 WeakPolarHBondContact O-CG1 3.36Å; N628-I632 PolarHBondContact O-N 3.46Å; N628-I632 VanDerWaalsContact O-N 3.16Å
629T93.5Very high92.4Very high69 Ų6946.8 Ų46.842%0.42325%0.252SS..Hα-helixtrans-57.1-39-179.8-63.70000113.2E589 I632 S633E589-T629 VanDerWaalsContact CD-OG1 3.25Å; E589-T629 WeakPolarHBondContact OE1-CB 3.47Å; E589-T629 WeakPolarHBondContact OE1-CG2 3.45Å; E589-T629 PolarHBondContact OE1-OG1 3.44Å; T629-I632 PolarHBondContact O-N 2.84Å; T629-S633 WeakPolarHBondContact O-CB 3.5Å; T629-S633 PolarHBondContact O-N 3.42Å
630E93.8Very high92.4Very high122 Ų12248 Ų4857%0.5726%0.258SS*.Hα-helixtrans-66.7-47-178.2-52.3174136.300111.8N628 I632 S633 T634N628-E630 VanDerWaalsContact C-N 3.33Å; N628-E630 PolarHBondContact O-N 2.79Å; N628-E630 WeakPolarHBondContact OD1-CA 3.31Å; N628-E630 WeakPolarHBondContact OD1-CB 3.14Å; N628-E630 PolarHBondContact OD1-N 2.86Å; E630-I632 VanDerWaalsContact C-N 3.3Å; E630-I632 PolarHBondContact O-N 3.18Å; E630-S633 WeakPolarHBondContact O-CB 3.44Å; E630-S633 PolarHBondContact O-N 2.93Å; E630-S633 VanDerWaalsContact O-N 3.15Å; E630-T634 PolarHBondContact O-N 3.46Å; E630-T634 PolarHBondContact O-OG1 3.16Å
631K93.5Very high92.5Very high62 Ų6252.5 Ų52.527%0.2728%0.279SS..Hα-helixtrans-63.9-37.8177.8-68-176.2-179.3-173.70111.1F47 N628 F635F47-K631 HydrophobicContact CE1-CB 3.88Å; F47-K631 HydrophobicContact CZ-CB 4.14Å; N628-K631 HydrophobicContact CB-CB 4.46Å; N628-K631 HydrophobicContact CB-CD 4.48Å; N628-K631 HydrophobicContact CB-CG 4.49Å; N628-K631 PolarHBondContact O-N 3.38Å; N628-K631 WeakPolarHBondContact OD1-CG 3.1Å; N628-K631 PolarHBondContact OD1-N 3.17Å; K631-F635 WeakPolarHBondContact O-CB 3.24Å; K631-F635 PolarHBondContact O-N 3.28Å
632I95.3Very high92.6Very high1 Ų146.3 Ų46.31%0.00526%0.257CS..Hα-helixtrans-68-41.8172.9-66.6168.7000110.7F47 E589 V590 I619 I627 N628 T629 E630 F635 V636F47-I632 HydrophobicContact CE1-CG1 3.94Å; F47-I632 HydrophobicContact CZ-CB 4.49Å; F47-I632 HydrophobicContact CZ-CG1 3.68Å; E589-I632 HydrophobicContact CB-CD1 4.01Å; E589-I632 HydrophobicContact CB-CG2 4.24Å; E589-I632 HydrophobicContact CG-CB 4.29Å; E589-I632 HydrophobicContact CG-CD1 3.74Å; E589-I632 HydrophobicContact CG-CG2 4.06Å; V590-I632 HydrophobicContact CG2-CG2 3.92Å; I619-I632 HydrophobicContact CD1-CG1 4.21Å; I619-I632 HydrophobicContact CD1-CG2 4.21Å; I627-I632 HydrophobicContact CG2-CD1 3.65Å; N628-I632 WeakPolarHBondContact O-CG1 3.36Å; N628-I632 PolarHBondContact O-N 3.46Å; N628-I632 VanDerWaalsContact O-N 3.16Å; T629-I632 PolarHBondContact O-N 2.84Å; E630-I632 VanDerWaalsContact C-N 3.3Å; E630-I632 PolarHBondContact O-N 3.18Å; I632-F635 PolarHBondContact O-N 3.43Å; I632-V636 HydrophobicContact CG2-CG2 4.39Å; I632-V636 WeakPolarHBondContact O-CB 3.35Å; I632-V636 VanDerWaalsContact O-CG2 3.31Å; I632-V636 WeakPolarHBondContact O-CG2 3.47Å; I632-V636 PolarHBondContact O-N 2.97Å
633S95.2Very high92.6Very high22 Ų2245.5 Ų45.515%0.15425%0.251CS..Hα-helixtrans-60.2-52.8177.6-172.70000112.1T629 E630 F635 V636 K637T629-S633 WeakPolarHBondContact O-CB 3.5Å; T629-S633 PolarHBondContact O-N 3.42Å; E630-S633 WeakPolarHBondContact O-CB 3.44Å; E630-S633 PolarHBondContact O-N 2.93Å; E630-S633 VanDerWaalsContact O-N 3.15Å; S633-F635 PolarHBondContact O-N 2.94Å; S633-V636 PolarHBondContact O-N 3.35Å; S633-K637 WeakPolarHBondContact O-CB 3.25Å; S633-K637 VanDerWaalsContact O-CG 3.24Å; S633-K637 WeakPolarHBondContact O-CG 3.47Å; S633-K637 PolarHBondContact O-N 3.06Å; S633-K637 WeakPolarHBondContact OG-CE 3.17Å; S633-K637 PolarHBondContact OG-NZ 3.01Å
634T96.1Very high93Very high66 Ų6648.6 Ų48.641%0.40525%0.251SS..Hα-helixtrans-64.4-39.2178.4-550000111.7L46 E630 K637 L638L46-T634 HydrophobicContact CD1-CG2 3.55Å; E630-T634 PolarHBondContact O-N 3.46Å; E630-T634 PolarHBondContact O-OG1 3.16Å; T634-K637 PolarHBondContact O-N 2.97Å; T634-L638 HydrophobicContact CG2-CD1 4.48Å; T634-L638 WeakPolarHBondContact O-CG 3.26Å; T634-L638 PolarHBondContact O-N 3.4Å
635F95.6Very high93.3Very high0 Ų052.8 Ų52.80%027%0.265CS..Hα-helixtrans-64.1-41.2176-174.8-112.3000112.9V43 P44 L45 L46 F47 A615 K618 I619 K631 I632 S633 Y639V43-F635 HydrophobicContact CG1-CD2 3.83Å; V43-F635 HydrophobicContact CG1-CE2 3.75Å; P44-F635 WeakPolarHBondContact O-CD2 3.39Å; P44-F635 WeakPolarHBondContact O-CE2 3.27Å; L45-F635 HydrophobicContact CD2-CE2 3.88Å; L45-F635 HydrophobicContact CD2-CZ 3.91Å; L46-F635 HydrophobicContact CD1-CB 4.24Å; F47-F635 HydrophobicContact CE2-CB 3.84Å; F47-F635 AromaticContact CE2-CD1 3.89Å; F47-F635 HydrophobicContact CE2-CD1 3.89Å; F47-F635 HydrophobicContact CE2-CD2 4.13Å; F47-F635 HydrophobicContact CE2-CE1 4.43Å; F47-F635 AromaticContact CE2-CG 3.71Å; F47-F635 HydrophobicContact CE2-CG 3.71Å; F47-F635 HydrophobicContact CZ-CB 4.36Å; A615-F635 HydrophobicContact CB-CD1 4.46Å; A615-F635 HydrophobicContact CB-CE1 4.23Å; K618-F635 HydrophobicContact CB-CE1 4.01Å; K618-F635 HydrophobicContact CB-CZ 3.71Å; K618-F635 HydrophobicContact CG-CZ 4.39Å; I619-F635 HydrophobicContact CD1-CD1 3.99Å; I619-F635 HydrophobicContact CD1-CE1 4.25Å; I619-F635 HydrophobicContact CG1-CD1 3.78Å; I619-F635 HydrophobicContact CG1-CE1 3.74Å; K631-F635 WeakPolarHBondContact O-CB 3.24Å; K631-F635 PolarHBondContact O-N 3.28Å; I632-F635 PolarHBondContact O-N 3.43Å; S633-F635 PolarHBondContact O-N 2.94Å; F635-Y639 HydrophobicContact CD1-CD2 4.48Å; F635-Y639 HydrophobicContact CD1-CE2 4.49Å; F635-Y639 HydrophobicContact CE1-CD2 4.24Å; F635-Y639 AromaticContact CE1-CE2 3.83Å; F635-Y639 HydrophobicContact CE1-CE2 3.83Å; F635-Y639 HydrophobicContact CE2-CE2 4.13Å; F635-Y639 HydrophobicContact CZ-CD2 4.33Å; F635-Y639 AromaticContact CZ-CE2 3.63Å; F635-Y639 HydrophobicContact CZ-CE2 3.63Å; F635-Y639 WeakPolarHBondContact O-CD2 3.42Å; F635-Y639 PolarHBondContact O-N 3.24Å
636V96.6Very high93.5Very high0 Ų053.5 Ų53.50%026%0.263CS..Hα-helixtrans-70.7-37.2175.7169.80000111.6V590 V593 L594 I611 A615 I632 S633 L638 Y639 I640V590-V636 HydrophobicContact CG1-CG2 4.12Å; V590-V636 HydrophobicContact CG2-CG2 4.17Å; V593-V636 HydrophobicContact CB-CB 4.43Å; V593-V636 HydrophobicContact CB-CG1 4.2Å; V593-V636 HydrophobicContact CG1-CB 3.87Å; V593-V636 HydrophobicContact CG1-CG1 3.65Å; L594-V636 HydrophobicContact CD2-CG1 3.69Å; L594-V636 HydrophobicContact CG-CG1 3.88Å; I611-V636 HydrophobicContact CG2-CG1 4.47Å; A615-V636 HydrophobicContact CB-CG2 4.25Å; I632-V636 HydrophobicContact CG2-CG2 4.39Å; I632-V636 WeakPolarHBondContact O-CB 3.35Å; I632-V636 VanDerWaalsContact O-CG2 3.31Å; I632-V636 WeakPolarHBondContact O-CG2 3.47Å; I632-V636 PolarHBondContact O-N 2.97Å; S633-V636 PolarHBondContact O-N 3.35Å; V636-L638 PolarHBondContact O-N 2.93Å; V636-Y639 WeakPolarHBondContact O-CB 3.3Å; V636-Y639 PolarHBondContact O-N 3.3Å; V636-Y639 VanDerWaalsContact O-N 3.15Å; V636-I640 HydrophobicContact CG1-CD1 3.98Å; V636-I640 WeakPolarHBondContact O-CG1 3.5Å; V636-I640 PolarHBondContact O-N 2.91Å
637K95.6Very high93.4Very high115 Ų11555.2 Ų55.250%0.526%0.261SS..Hα-helixtrans-58.5-46173.4-74.8166.1-177.1171.60112S633 T634 Y639 I640 E641S633-K637 WeakPolarHBondContact O-CB 3.25Å; S633-K637 VanDerWaalsContact O-CG 3.24Å; S633-K637 WeakPolarHBondContact O-CG 3.47Å; S633-K637 PolarHBondContact O-N 3.06Å; S633-K637 WeakPolarHBondContact OG-CE 3.17Å; S633-K637 PolarHBondContact OG-NZ 3.01Å; T634-K637 PolarHBondContact O-N 2.97Å; K637-Y639 VanDerWaalsContact C-N 3.26Å; K637-Y639 PolarHBondContact O-N 3.5Å; K637-I640 WeakPolarHBondContact O-CB 3.34Å; K637-I640 PolarHBondContact O-N 3.21Å; K637-I640 VanDerWaalsContact O-N 3.11Å; K637-E641 WeakPolarHBondContact O-CB 3.35Å; K637-E641 PolarHBondContact O-N 3.49Å
638L95.9Very high93.5Very high50 Ų5060.9 Ų60.926%0.26229%0.285SS..Hα-helixtrans-61.3-33.8175.6-69.1164.2000112.5V43 L46 T634 V636 K642V43-L638 HydrophobicContact CG1-CB 3.63Å; V43-L638 HydrophobicContact CG1-CD1 4.28Å; V43-L638 HydrophobicContact CG2-CB 4.49Å; L46-L638 HydrophobicContact CD1-CD1 4.13Å; T634-L638 HydrophobicContact CG2-CD1 4.48Å; T634-L638 WeakPolarHBondContact O-CG 3.26Å; T634-L638 PolarHBondContact O-N 3.4Å; V636-L638 PolarHBondContact O-N 2.93Å; L638-K642 WeakPolarHBondContact O-CB 3.45Å; L638-K642 PolarHBondContact O-N 2.95Å
639Y96Very high93.6Very high22 Ų2263.5 Ų63.59%0.08630%0.298CS..Hα-helixtrans-67-47170.5-96.3-78.4000112.3V43 I611 K614 F635 V636 K637 E641 K642 Y643V43-Y639 HydrophobicContact CB-CD2 4.15Å; V43-Y639 HydrophobicContact CB-CE2 3.87Å; V43-Y639 HydrophobicContact CG1-CD2 3.79Å; V43-Y639 HydrophobicContact CG1-CE2 3.82Å; V43-Y639 HydrophobicContact CG2-CD1 4.27Å; V43-Y639 HydrophobicContact CG2-CD2 4.04Å; V43-Y639 HydrophobicContact CG2-CE1 4.31Å; V43-Y639 HydrophobicContact CG2-CE2 4.08Å; V43-Y639 HydrophobicContact CG2-CG 4.13Å; I611-Y639 HydrophobicContact CG1-CD1 4.47Å; I611-Y639 HydrophobicContact CG2-CG 4.22Å; K614-Y639 HydrophobicContact CB-CE1 3.93Å; K614-Y639 HydrophobicContact CD-CE1 4.19Å; F635-Y639 HydrophobicContact CD1-CD2 4.48Å; F635-Y639 HydrophobicContact CD1-CE2 4.49Å; F635-Y639 HydrophobicContact CE1-CD2 4.24Å; F635-Y639 AromaticContact CE1-CE2 3.83Å; F635-Y639 HydrophobicContact CE1-CE2 3.83Å; F635-Y639 HydrophobicContact CE2-CE2 4.13Å; F635-Y639 HydrophobicContact CZ-CD2 4.33Å; F635-Y639 AromaticContact CZ-CE2 3.63Å; F635-Y639 HydrophobicContact CZ-CE2 3.63Å; F635-Y639 WeakPolarHBondContact O-CD2 3.42Å; F635-Y639 PolarHBondContact O-N 3.24Å; V636-Y639 WeakPolarHBondContact O-CB 3.3Å; V636-Y639 PolarHBondContact O-N 3.3Å; V636-Y639 VanDerWaalsContact O-N 3.15Å; K637-Y639 VanDerWaalsContact C-N 3.26Å; K637-Y639 PolarHBondContact O-N 3.5Å; Y639-E641 VanDerWaalsContact C-N 3.32Å; Y639-E641 PolarHBondContact O-N 3.44Å; Y639-K642 PolarHBondContact O-N 2.98Å; Y639-Y643 HydrophobicContact CD1-CD2 4.46Å; Y639-Y643 HydrophobicContact CD1-CE2 4.04Å; Y639-Y643 VanDerWaalsContact O-CD2 3.27Å; Y639-Y643 WeakPolarHBondContact O-CD2 3.49Å; Y639-Y643 PolarHBondContact O-N 2.96Å
640I95.4Very high93.5Very high25 Ų2566.5 Ų66.513%0.12831%0.305CS..Hα-helixtrans-56.6-47176.6-68.7159.3000110.7L594 A597 I603 I611 V636 K637 Y643 H644L594-I640 HydrophobicContact CD2-CD1 4.28Å; L594-I640 HydrophobicContact CD2-CG1 4.32Å; A597-I640 HydrophobicContact CB-CD1 3.61Å; A597-I640 HydrophobicContact CB-CG1 4.43Å; I603-I640 HydrophobicContact CG2-CB 4.34Å; I603-I640 HydrophobicContact CG2-CG1 4.08Å; I603-I640 HydrophobicContact CG2-CG2 3.83Å; I611-I640 HydrophobicContact CD1-CG1 4.17Å; V636-I640 HydrophobicContact CG1-CD1 3.98Å; V636-I640 WeakPolarHBondContact O-CG1 3.5Å; V636-I640 PolarHBondContact O-N 2.91Å; K637-I640 WeakPolarHBondContact O-CB 3.34Å; K637-I640 PolarHBondContact O-N 3.21Å; K637-I640 VanDerWaalsContact O-N 3.11Å; I640-Y643 PolarHBondContact O-N 3.44Å; I640-H644 PolarHBondContact O-N 3.49Å
641E94.4Very high93.3Very high96 Ų9663.3 Ų63.345%0.44930%0.3SS..Hα-helixtrans-60.9-45.5178.3-169.1-166.1139.800112.1K637 Y639 Y643 H644 R645K637-E641 WeakPolarHBondContact O-CB 3.35Å; K637-E641 PolarHBondContact O-N 3.49Å; Y639-E641 VanDerWaalsContact C-N 3.32Å; Y639-E641 PolarHBondContact O-N 3.44Å; E641-Y643 VanDerWaalsContact C-N 3.34Å; E641-Y643 PolarHBondContact O-N 3.45Å; E641-H644 PolarHBondContact O-N 3.37Å; E641-R645 PolarHBondContact O-N 2.88Å; E641-R645 IonicContact OE1-CZ 3.75Å; E641-R645 IonicContact OE1-NH1 2.65Å; E641-R645 PolarHBondContact OE1-NH1 3.29Å
642K93.4Very high93.2Very high58 Ų5865.4 Ų65.425%0.25231%0.311SS..Hα-helixtrans-59.4-42.8174.8176.5168.5-177.8167.50112.2D41 V43 L638 Y639 R645 M646D41-K642 HydrophobicContact CB-CD 4.23Å; D41-K642 WeakPolarHBondContact O-CD 3.2Å; D41-K642 PolarHBondContact O-NZ 3.19Å; V43-K642 HydrophobicContact CG2-CB 4.45Å; V43-K642 HydrophobicContact CG2-CD 4.14Å; L638-K642 WeakPolarHBondContact O-CB 3.45Å; L638-K642 PolarHBondContact O-N 2.95Å; Y639-K642 PolarHBondContact O-N 2.98Å; K642-R645 PolarHBondContact O-N 2.94Å; K642-M646 VanDerWaalsContact O-CB 3.31Å; K642-M646 WeakPolarHBondContact O-CB 3.45Å; K642-M646 PolarHBondContact O-N 3.06Å
643Y92.2Very high93.1Very high8 Ų868.1 Ų68.13%0.03133%0.333CS..Hα-helixtrans-69.1-37.7179.1-87.3-105.8000111.9D607 E610 I611 K614 Y639 I640 E641 M646 R647D607-Y643 HydrophobicContact CB-CD1 3.96Å; D607-Y643 WeakPolarHBondContact OD1-CD1 3.38Å; E610-Y643 HydrophobicContact CB-CE1 4.37Å; E610-Y643 VanDerWaalsContact OE2-CE1 3.32Å; E610-Y643 WeakPolarHBondContact OE2-CE1 3.32Å; E610-Y643 PolarHBondContact OE2-OH 3.31Å; I611-Y643 HydrophobicContact CD1-CD2 4.07Å; I611-Y643 HydrophobicContact CD1-CG 4.04Å; I611-Y643 HydrophobicContact CG1-CD2 3.82Å; I611-Y643 HydrophobicContact CG1-CE2 3.94Å; I611-Y643 HydrophobicContact CG1-CG 4.14Å; K614-Y643 WeakPolarHBondContact CD-OH 3.39Å; K614-Y643 PolarHBondContact NZ-OH 3Å; Y639-Y643 HydrophobicContact CD1-CD2 4.46Å; Y639-Y643 HydrophobicContact CD1-CE2 4.04Å; Y639-Y643 VanDerWaalsContact O-CD2 3.27Å; Y639-Y643 WeakPolarHBondContact O-CD2 3.49Å; Y639-Y643 PolarHBondContact O-N 2.96Å; I640-Y643 PolarHBondContact O-N 3.44Å; E641-Y643 VanDerWaalsContact C-N 3.34Å; E641-Y643 PolarHBondContact O-N 3.45Å; Y643-M646 HydrophobicContact CD1-CE 3.65Å; Y643-M646 HydrophobicContact CE1-CE 3.66Å; Y643-M646 HydrophobicContact CG-CE 4.2Å; Y643-M646 PolarHBondContact O-N 3.42Å; Y643-R647 WeakPolarHBondContact O-CB 3.3Å; Y643-R647 PolarHBondContact O-N 3.02Å
644H91.1Very high92.9Very high116 Ų11671.3 Ų71.354%0.53735%0.352SS..Hα-helixtrans-61.8-47.3172.6-172.781.4000112I640 E641 R647 K648I640-H644 PolarHBondContact O-N 3.49Å; E641-H644 PolarHBondContact O-N 3.37Å; H644-R647 PolarHBondContact O-N 2.97Å; H644-K648 PolarHBondContact O-N 3.01Å
645R92Very high92.5Very high107 Ų10770.9 Ų70.940%0.40436%0.355SS..Hα-helixtrans-57.8-50.8172.5-78.5-150.5-70.2-85.46.8112D41 E641 K642 R647 K648 I649D41-R645 IonicContact OD2-CZ 3.68Å; D41-R645 IonicContact OD2-NE 3.71Å; D41-R645 IonicContact OD2-NH2 2.81Å; D41-R645 PolarHBondContact OD2-NH2 3.24Å; E641-R645 PolarHBondContact O-N 2.88Å; E641-R645 IonicContact OE1-CZ 3.75Å; E641-R645 IonicContact OE1-NH1 2.65Å; E641-R645 PolarHBondContact OE1-NH1 3.29Å; K642-R645 PolarHBondContact O-N 2.94Å; R645-R647 VanDerWaalsContact C-N 3.28Å; R645-R647 PolarHBondContact O-N 2.95Å; R645-K648 PolarHBondContact O-N 2.96Å; R645-I649 WeakPolarHBondContact O-CG1 3.5Å; R645-I649 PolarHBondContact O-N 3.37Å
646M89.9Confident92.1Very high66 Ų6678.3 Ų78.333%0.32539%0.387SS..Hα-helixtrans-59.2-39.1-179.7-176.8178.562.900111.9K642 Y643 K650K642-M646 VanDerWaalsContact O-CB 3.31Å; K642-M646 WeakPolarHBondContact O-CB 3.45Å; K642-M646 PolarHBondContact O-N 3.06Å; Y643-M646 HydrophobicContact CD1-CE 3.65Å; Y643-M646 HydrophobicContact CE1-CE 3.66Å; Y643-M646 HydrophobicContact CG-CE 4.2Å; Y643-M646 PolarHBondContact O-N 3.42Å; M646-K650 WeakPolarHBondContact O-CB 3.37Å; M646-K650 WeakPolarHBondContact O-CG 3.38Å; M646-K650 PolarHBondContact O-N 3.11Å
647R87.8Confident91.5Very high92 Ų9281.5 Ų81.535%0.34741%0.413SS..Hα-helixtrans-67.8-43.4176.2-164.1-165.6-61.3-168.5-0.4111.9N604 D607 Y643 H644 R645 I649 K650 A651N604-R647 VanDerWaalsContact N-NH2 3.19Å; N604-R647 VanDerWaalsContact OD1-CZ 3.22Å; N604-R647 PolarHBondContact OD1-NH1 3.39Å; N604-R647 PolarHBondContact OD1-NH2 3.43Å; D607-R647 IonicContact OD2-CZ 3.39Å; D607-R647 IonicContact OD2-NE 3.74Å; D607-R647 IonicContact OD2-NH2 2.69Å; D607-R647 PolarHBondContact OD2-NH2 3.31Å; Y643-R647 WeakPolarHBondContact O-CB 3.3Å; Y643-R647 PolarHBondContact O-N 3.02Å; H644-R647 PolarHBondContact O-N 2.97Å; R645-R647 VanDerWaalsContact C-N 3.28Å; R645-R647 PolarHBondContact O-N 2.95Å; R647-I649 VanDerWaalsContact C-N 3.34Å; R647-I649 PolarHBondContact O-N 3.01Å; R647-K650 PolarHBondContact O-N 2.86Å; R647-A651 WeakPolarHBondContact O-CB 3.44Å; R647-A651 PolarHBondContact O-N 3.13Å
648K90.9Very high90.9Very high128 Ų12881.6 Ų81.656%0.55742%0.424SS*.Hα-helixtrans-59.8-44.2175.7-174175.3-179177.30111.5H644 R645 A651 Q652H644-K648 PolarHBondContact O-N 3.01Å; R645-K648 PolarHBondContact O-N 2.96Å; K648-A651 PolarHBondContact O-N 3.29Å; K648-Q652 WeakPolarHBondContact O-CG 3.35Å; K648-Q652 PolarHBondContact O-N 3.39Å
649I91.7Very high89.9Confident108 Ų10885.2 Ų85.255%0.55445%0.448SS*.Hα-helixtrans-63.1-45.4176.4-66.6164.3000110.8R645 R647 A651 Q652 A653R645-I649 WeakPolarHBondContact O-CG1 3.5Å; R645-I649 PolarHBondContact O-N 3.37Å; R647-I649 VanDerWaalsContact C-N 3.34Å; R647-I649 PolarHBondContact O-N 3.01Å; I649-A651 PolarHBondContact O-N 3.4Å; I649-Q652 PolarHBondContact O-N 3.44Å; I649-A653 WeakPolarHBondContact O-CB 3.44Å; I649-A653 PolarHBondContact O-N 3.45Å
650K90.8Very high87.8Confident132 Ų13295 Ų9557%0.57449%0.494SS*.Hα-helixtrans-60.1-45.5176-77.6-177.7175.8-166.90112.5M646 R647 Q652 A653 T654M646-K650 WeakPolarHBondContact O-CB 3.37Å; M646-K650 WeakPolarHBondContact O-CG 3.38Å; M646-K650 PolarHBondContact O-N 3.11Å; R647-K650 PolarHBondContact O-N 2.86Å; K650-Q652 VanDerWaalsContact C-N 3.33Å; K650-Q652 PolarHBondContact O-N 2.88Å; K650-A653 PolarHBondContact O-N 2.94Å; K650-T654 PolarHBondContact O-N 2.79Å; K650-T654 PolarHBondContact O-OG1 3.04Å
651A90.5Very high87.5Confident55 Ų5598.6 Ų98.646%0.45551%0.513SS..Hα-helixtrans-63.3-37.4177.800000112.5R647 K648 I649 T654 A655R647-A651 WeakPolarHBondContact O-CB 3.44Å; R647-A651 PolarHBondContact O-N 3.13Å; K648-A651 PolarHBondContact O-N 3.29Å; I649-A651 PolarHBondContact O-N 3.4Å; A651-T654 WeakPolarHBondContact CA-OG1 3.48Å; A651-T654 PolarHBondContact O-OG1 3.45Å; A651-A655 VanDerWaalsContact O-CB 3.27Å; A651-A655 WeakPolarHBondContact O-CB 3.34Å; A651-A655 PolarHBondContact O-N 2.96Å
652Q91.3Very high87.1Confident107 Ų10798.7 Ų98.750%0.552%0.516SS..Hα-helixtrans-70-33.5173.3-73.7-179.7-2600112.8K648 I649 K650 K656K648-Q652 WeakPolarHBondContact O-CG 3.35Å; K648-Q652 PolarHBondContact O-N 3.39Å; I649-Q652 PolarHBondContact O-N 3.44Å; K650-Q652 VanDerWaalsContact C-N 3.33Å; K650-Q652 PolarHBondContact O-N 2.88Å; Q652-K656 WeakPolarHBondContact O-CG 3.23Å; Q652-K656 PolarHBondContact O-N 2.64Å
653A91.7Very high86.7Confident57 Ų57100.9 Ų100.947%0.47153%0.531SS..Hα-helixtrans-69-44.8174.800000111.6I649 K650 K656 A657I649-A653 WeakPolarHBondContact O-CB 3.44Å; I649-A653 PolarHBondContact O-N 3.45Å; K650-A653 PolarHBondContact O-N 2.94Å; A653-K656 PolarHBondContact O-N 2.65Å; A653-A657 PolarHBondContact O-N 3.17Å; A653-A657 VanDerWaalsContact O-N 3.09Å
654T90.9Very high86.4Confident89 Ų89106.4 Ų106.455%0.54656%0.56SS.*Hα-helixtrans-64.4-43.4175.351.10000111.7K650 A651 K656 A657 T658K650-T654 PolarHBondContact O-N 2.79Å; K650-T654 PolarHBondContact O-OG1 3.04Å; A651-T654 WeakPolarHBondContact CA-OG1 3.48Å; A651-T654 PolarHBondContact O-OG1 3.45Å; T654-K656 VanDerWaalsContact C-N 3.25Å; T654-K656 PolarHBondContact O-N 3.34Å; T654-A657 PolarHBondContact O-N 3.42Å; T654-T658 PolarHBondContact O-N 3.1Å; T654-T658 VanDerWaalsContact O-N 3.12Å; T654-T658 PolarHBondContact O-OG1 2.86Å; T654-T658 VanDerWaalsContact O-OG1 3.06Å
655A89.2Confident86.1Confident57 Ų57105.8 Ų105.847%0.47156%0.562SS.*Hα-helixtrans-61.1-32.4177.600000113.1A651 V659A651-A655 VanDerWaalsContact O-CB 3.27Å; A651-A655 WeakPolarHBondContact O-CB 3.34Å; A651-A655 PolarHBondContact O-N 2.96Å; A655-V659 WeakPolarHBondContact O-CG2 3.44Å
656K86.8Confident85.7Confident157 Ų157105.7 Ų105.768%0.68357%0.572SS**Hα-helixtrans-73.2-35172.8-73.7177.1178-1690112.8Q652 A653 T654 T658 V659Q652-K656 WeakPolarHBondContact O-CG 3.23Å; Q652-K656 PolarHBondContact O-N 2.64Å; A653-K656 PolarHBondContact O-N 2.65Å; T654-K656 VanDerWaalsContact C-N 3.25Å; T654-K656 PolarHBondContact O-N 3.34Å; K656-T658 VanDerWaalsContact C-N 3.29Å; K656-T658 PolarHBondContact O-N 2.98Å; K656-V659 PolarHBondContact O-N 3.39Å
657A84.6Confident85.4Confident66 Ų66108.6 Ų108.655%0.54559%0.59SS.*Hα-helixtrans-78.2-6.7179.500000114.4A653 T654A653-A657 PolarHBondContact O-N 3.17Å; A653-A657 VanDerWaalsContact O-N 3.09Å; T654-A657 PolarHBondContact O-N 3.42Å
658T82.7Confident85.3Confident117 Ų117109.8 Ų109.872%0.71861%0.608SS**THydrogen-bonded Turntrans-101.32.7171.5-41.50000112.1T654 K656T654-T658 PolarHBondContact O-N 3.1Å; T654-T658 VanDerWaalsContact O-N 3.12Å; T654-T658 PolarHBondContact O-OG1 2.86Å; T654-T658 VanDerWaalsContact O-OG1 3.06Å; K656-T658 VanDerWaalsContact C-N 3.29Å; K656-T658 PolarHBondContact O-N 2.98Å
659V74.2Confident84.8Confident127 Ų127108.3 Ų108.377%0.7761%0.613SS**  trans-119.113.5178.8-177.30000110.4A655 K656A655-V659 WeakPolarHBondContact O-CG2 3.44Å; K656-V659 PolarHBondContact O-N 3.39Å
660Q53Low84.2Confident228 Ų228108.4 Ų108.4100%1.06562%0.618SS**  trans-121.60168-68.2-172.5-23.300108.5

Retrieved 660 of 660 residues in 93.3 ms (Link to these results)