A0A060YTA8_ONCMY Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A060YTA8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110536955, Length 394 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37.2Very low38Very low240 Ų240136 Ų136100%1.18282%0.821SS**  094.50-61.4174.6-176.600105.4
2A35.7Very low37.6Very low93 Ų93132.8 Ų132.877%0.76981%0.809SS**  62.6130.8108.500000112.2
3L38.3Very low37.4Very low155 Ų155131.6 Ų131.681%0.81280%0.802SS**  cis-173.2151.95.7-96.9165.6000105.5
4S39.7Very low37Very low120 Ų120136.4 Ų136.484%0.83981%0.807SS**  trans66.2143150.7-47.50000118.5
5G36.8Very low36.6Very low62 Ų62132.5 Ų132.564%0.63980%0.796SS**  cis141.8103.614.500000109.1
6T39.9Very low36.3Very low132 Ų132132.3 Ų132.381%0.8180%0.803SS**  trans52.7130.7144.945.50000124.3
7L35.5Very low35.9Very low150 Ų150128.9 Ų128.979%0.78580%0.802SS**  trans98117.4137-70.4158.7000121.4
8L36.3Very low36.4Very low153 Ų153129.4 Ų129.480%0.80181%0.807SS**  trans5.9166.6138.6-63.5174.1000120.1
9P44Very low36Very low109 Ų109129.8 Ų129.871%0.70880%0.803SS**  cis-140.1-177.812.726.7-0.2000116.5
10S36.3Very low35.7Very low126 Ų126129.4 Ų129.488%0.88180%0.799SS**  trans-46.6142.7171.6-47.60000115.6
11I38.2Very low35.9Very low156 Ų156131.9 Ų131.980%0.880%0.799SS**  trans-115.4121.8-172.6-44.6170.1000110.4
12S32.9Very low35.5Very low98 Ų98128.6 Ų128.669%0.68579%0.786SS**  trans59.3139.614376.50000120.3
13T35.5Very low35.2Very low117 Ų117133.7 Ų133.772%0.71879%0.791SS**  cis-168.113247.3-53.70000112.3
14F31.7Very low34.6Very low198 Ų198131.1 Ų131.187%0.86879%0.786SS**  trans32.6115.9148.4-82.1-109.7000121.3
15A30.6Very low34.2Very low78 Ų78134.6 Ų134.665%0.64579%0.791SS**  87.49966.800000113.3
16S31.8Very low33.6Very low129 Ų129135.4 Ų135.490%0.90280%0.799SS**  75.497.792.5-59.90000113.6
17G30.7Very low33Very low76 Ų76138.6 Ų138.678%0.78481%0.805SS**  107172.691.500000110.8
18P44.1Very low32.6Very low137 Ų137136.1 Ų136.189%0.8981%0.806SS**  cis-136.1-171.5-341.1-20.8000115.7
19N28.1Very low32Very low137 Ų137135.8 Ų135.873%0.73381%0.805SS**  trans-76.2154.5-171.9-172.9-16.3000115.2
20V31.8Very low31.4Very low121 Ų121138.7 Ų138.773%0.73381%0.814SS**  154.3132.7123.2172.70000113.7
21K39.3Very low30.9Very low182 Ų182143.5 Ų143.579%0.79181%0.812SS**  trans-40.1148.4173.2-57.3160.5-178.81740115.4
22N27.9Very low30.3Very low172 Ų172147 Ų14792%0.9282%0.816SS**  trans-145.7142.4155.9-86.6-26.7000114.2
23K30.1Very low30Very low200 Ų200152.3 Ų152.387%0.8783%0.827SS**  trans-93.5154.8178.1-801721711750111.8
24S26.3Very low29.9Very low101 Ų101154 Ų15471%0.70683%0.826SS**  trans49.8133.5142.672.20000123.8
25M29.7Very low29.7Very low193 Ų193152.9 Ų152.995%0.95183%0.83SS**  trans59.5129.7140-79.7160.371.700120.2
26G25.2Very low30Very low78 Ų78156.7 Ų156.780%0.80484%0.837SS**  trans171.9114.1159.700000114.3
27H28Very low29.7Very low199 Ų199155.6 Ų155.692%0.92183%0.829SS**  trans-53.2138.9168.1-82.6-115.9000112.4
28A26.7Very low29.8Very low99 Ų99158.6 Ų158.682%0.81883%0.833SS**  trans-107.7103.3161.500000109.3
29N24.3Very low29.1Very low146 Ų146155.6 Ų155.678%0.78183%0.827SS**  trans-105.1111.3163.1-173.3-7.7000105.1
30L31Very low29.1Very low169 Ų169156.7 Ų156.789%0.88583%0.829SS**  trans-115.6120.3172.7-73.7177.1000109.4
31R25.3Very low29.5Very low227 Ų227158.1 Ų158.186%0.85784%0.839SS**  trans-85.1141-175176.1136.165.5-179.62.9110.5
32W25.1Very low29.1Very low231 Ų231157.8 Ų157.888%0.87584%0.837SS**  trans-29.5143.7169.9-60.684.5000117.7
33K27.1Very low29Very low209 Ų209159.3 Ų159.391%0.90984%0.836SS**  trans-132.5122.4148.8-151.4163.6179.81790107.8
34E33.5Very low28.8Very low151 Ų151158 Ų15871%0.70683%0.833SS**  trans-76.6150.5-175-60.2164.5173.800110.8
35D28.1Very low29.2Very low176 Ų176158.7 Ų158.794%0.94184%0.835SS**  trans-145.6120146.4-83.5-39.8000108.2
36I35.3Very low29.8Very low158 Ų158158.2 Ų158.281%0.8183%0.83SS**  trans-97.8127.8-179.5-64.7171.3000108.7
37S27.3Very low30.6Very low105 Ų105159.9 Ų159.973%0.73482%0.82SS**  trans179108.7136.1-175.50000110.3
38T31.9Very low31.4Very low139 Ų139157.9 Ų157.985%0.85382%0.816SS**  -176.9130.2106.5-32.90000108
39G29.7Very low32.2Very low74 Ų74154.8 Ų154.876%0.76379%0.785SS**  trans-69.4134.7-171.100000115
40M27.2Very low33.5Very low160 Ų160155 Ų15579%0.78879%0.786SS**  trans-141.7120.4147-75.9-163.1164.700107.9K42M40-K42 VanDerWaalsContact C-N 3.34Å; M40-K42 PolarHBondContact O-N 3.46Å
41T40.1Very low34.3Very low151 Ų151149.3 Ų149.393%0.92676%0.756SS**  trans-62.794.2167.150.60000108.8
42K30.8Very low35.5Very low175 Ų175142 Ų14276%0.76173%0.734SS**  trans-133.1125.3166-84.3-178.9178.6170.80107.8M40 E44M40-K42 VanDerWaalsContact C-N 3.34Å; M40-K42 PolarHBondContact O-N 3.46Å; K42-E44 PolarHBondContact O-N 2.85Å
43K27.6Very low36.8Very low205 Ų205138.3 Ų138.389%0.89172%0.721SS**  trans-31130.6173.3-67.8170.8175.7176.80110.8
44E25.1Very low37.9Very low173 Ų173131.9 Ų131.981%0.80870%0.697SS**  trans-33.7125.8165.6-72.9-90.5116.700109.4K42 E46K42-E44 PolarHBondContact O-N 2.85Å; E44-E46 PolarHBondContact O-N 3.29Å
45P34.2Very low38.7Very low115 Ų115129.1 Ų129.175%0.74768%0.682SS**  trans-66.1108.4-179.528-30.1000106.6D47P45-D47 PolarHBondContact O-N 3.27Å
46E42.1Very low40.1Very low182 Ų182124.3 Ų124.385%0.8566%0.656SS**  trans-43116.8169.8-68.3-104.6159.400108.3E44 L48E44-E46 PolarHBondContact O-N 3.29Å; E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 2.95Å
47D42.3Very low41Very low113 Ų113120.3 Ų120.360%0.60464%0.636SS**  trans-40.996.9169.3-79.7-29.7000109.5P45 D49 R392P45-D47 PolarHBondContact O-N 3.27Å; D47-D49 PolarHBondContact O-N 3.24Å; D47-R392 IonicContact OD2-NH2 2.85Å; D47-R392 PolarHBondContact OD2-NH2 3.25Å
48L45.4Very low42.3Very low158 Ų158116.5 Ų116.583%0.82761%0.609SS**  trans-66.872.9160.4-87.6161.6000106.7E46E46-L48 VanDerWaalsContact C-N 3.33Å; E46-L48 PolarHBondContact O-N 2.95Å
49D43.7Very low43.3Very low33 Ų33113.3 Ų113.318%0.17659%0.587CS.*  trans-55.7138-179.1-88.3-27.4000108.2D47 L51 D52 R378 R392D47-D49 PolarHBondContact O-N 3.24Å; D49-L51 HydrophobicContact CB-CB 4.4Å; D49-L51 HydrophobicContact CB-CD1 4Å; D49-L51 HydrophobicContact CB-CG 4.06Å; D49-L51 PolarHBondContact O-N 2.94Å; D49-D52 PolarHBondContact O-N 3.29Å; D49-R378 IonicContact OD2-NH1 3.01Å; D49-R378 PolarHBondContact OD2-NH1 3.03Å; D49-R392 IonicContact OD1-CZ 3.58Å; D49-R392 IonicContact OD1-NH1 2.61Å; D49-R392 PolarHBondContact OD1-NH1 3.48Å; D49-R392 IonicContact OD1-NH2 3.67Å; D49-R392 IonicContact OD2-CZ 3.75Å; D49-R392 IonicContact OD2-NH1 2.89Å; D49-R392 PolarHBondContact OD2-NH1 2.94Å
50L50.8Low44.7Very low150 Ų150112.4 Ų112.479%0.78557%0.566SS**THydrogen-bonded Turntrans-41.2-4.2170.8-77.3149.1000116.8
51L47.9Very low46.1Very low50 Ų50108.7 Ų108.726%0.26255%0.548SS..THydrogen-bonded Turntrans-78.7-21.5-178.9-57.7174.8000113.5D49 F380 H385D49-L51 HydrophobicContact CB-CB 4.4Å; D49-L51 HydrophobicContact CB-CD1 4Å; D49-L51 HydrophobicContact CB-CG 4.06Å; D49-L51 PolarHBondContact O-N 2.94Å; L51-F380 HydrophobicContact CD1-CD1 4.44Å; L51-F380 HydrophobicContact CD1-CE1 3.57Å; L51-F380 HydrophobicContact CD1-CZ 4.36Å; L51-F380 HydrophobicContact CD2-CD1 3.77Å; L51-F380 HydrophobicContact CD2-CE1 3.57Å; L51-F380 HydrophobicContact CG-CE1 4.2Å; L51-H385 HydrophobicContact CD2-CB 4.33Å
52D51.2Low47.1Very low73 Ų73104 Ų10439%0.3952%0.517SS..THydrogen-bonded Turntrans-101.6-16175.5-101.9-13.1000112.9D49 D54 F55 I56D49-D52 PolarHBondContact O-N 3.29Å; D52-D54 PolarHBondContact O-N 2.92Å; D52-F55 PolarHBondContact O-N 2.7Å; D52-F55 VanDerWaalsContact O-N 3.12Å; D52-I56 HydrophobicContact CB-CD1 3.61Å; D52-I56 HydrophobicContact CB-CG1 3.97Å; D52-I56 WeakPolarHBondContact O-CB 3.11Å; D52-I56 VanDerWaalsContact O-CG1 3.23Å; D52-I56 WeakPolarHBondContact O-CG1 3.18Å; D52-I56 PolarHBondContact O-N 3.15Å
53Y50.7Low48.6Very low154 Ų154101 Ų10160%0.60451%0.506SS*.Hα-helixtrans-62.3-42.3-175.4-141.4-104.8000112.4F55 L57Y53-F55 VanDerWaalsContact C-N 3.33Å; Y53-F55 PolarHBondContact O-N 3.47Å; Y53-L57 HydrophobicContact CD1-CD1 3.23Å; Y53-L57 HydrophobicContact CD1-CD2 4.44Å; Y53-L57 HydrophobicContact CD1-CG 3.74Å; Y53-L57 HydrophobicContact CE1-CD1 3.38Å; Y53-L57 HydrophobicContact CE1-CD2 4.03Å; Y53-L57 HydrophobicContact CE1-CG 3.83Å; Y53-L57 HydrophobicContact CG-CD1 4.2Å; Y53-L57 HydrophobicContact CG-CG 4.33Å; Y53-L57 WeakPolarHBondContact O-CB 3.25Å; Y53-L57 WeakPolarHBondContact O-CD1 3.45Å; Y53-L57 WeakPolarHBondContact O-CG 3.38Å; Y53-L57 PolarHBondContact O-N 3.02Å
54D50.5Low50.4Low75 Ų7596.4 Ų96.440%0.40149%0.488SS..Hα-helixtrans-69.7-27.2177.4-90.1-24.1000113.6D52 S58 K364 R382D52-D54 PolarHBondContact O-N 2.92Å; D54-S58 PolarHBondContact O-OG 3.5Å; D54-K364 PolarHBondContact O-NZ 2.82Å; D54-R382 IonicContact OD2-NH1 3.75Å
55F51.5Low52.2Low92 Ų9292.2 Ų92.240%0.40447%0.468SS..Hα-helixtrans-85.4-50.7179.7178.5-103.6000110.5D52 Y53 S58 N59D52-F55 PolarHBondContact O-N 2.7Å; D52-F55 VanDerWaalsContact O-N 3.12Å; Y53-F55 VanDerWaalsContact C-N 3.33Å; Y53-F55 PolarHBondContact O-N 3.47Å; F55-S58 PolarHBondContact O-N 2.82Å; F55-N59 WeakPolarHBondContact CE1-ND2 3.3Å; F55-N59 VanDerWaalsContact CZ-ND2 3.33Å; F55-N59 WeakPolarHBondContact CZ-ND2 3.36Å; F55-N59 PolarHBondContact O-N 2.78Å; F55-N59 VanDerWaalsContact O-N 3.1Å; F55-N59 PolarHBondContact O-ND2 3.24Å
56I56.1Low53.3Low76 Ų7689.3 Ų89.339%0.3945%0.454SS..Hα-helixtrans-61.2-50.9175.7-63.3-177.9000110.6D52 S58 N59 T60D52-I56 HydrophobicContact CB-CD1 3.61Å; D52-I56 HydrophobicContact CB-CG1 3.97Å; D52-I56 WeakPolarHBondContact O-CB 3.11Å; D52-I56 VanDerWaalsContact O-CG1 3.23Å; D52-I56 WeakPolarHBondContact O-CG1 3.18Å; D52-I56 PolarHBondContact O-N 3.15Å; I56-S58 PolarHBondContact O-N 3.18Å; I56-N59 PolarHBondContact O-N 3.24Å; I56-T60 HydrophobicContact CG2-CG2 3.88Å; I56-T60 WeakPolarHBondContact O-CB 3.36Å; I56-T60 VanDerWaalsContact O-CG2 3.31Å; I56-T60 WeakPolarHBondContact O-CG2 3.32Å; I56-T60 PolarHBondContact O-N 3.43Å; I56-T60 PolarHBondContact O-OG1 3.03Å
57L54.2Low54.3Low73 Ų7385.5 Ų85.538%0.38244%0.436SS..Hα-helixtrans-58.3-35.5-179.7-76.6175.6000112.9Y53 T60 M61Y53-L57 HydrophobicContact CD1-CD1 3.23Å; Y53-L57 HydrophobicContact CD1-CD2 4.44Å; Y53-L57 HydrophobicContact CD1-CG 3.74Å; Y53-L57 HydrophobicContact CE1-CD1 3.38Å; Y53-L57 HydrophobicContact CE1-CD2 4.03Å; Y53-L57 HydrophobicContact CE1-CG 3.83Å; Y53-L57 HydrophobicContact CG-CD1 4.2Å; Y53-L57 HydrophobicContact CG-CG 4.33Å; Y53-L57 WeakPolarHBondContact O-CB 3.25Å; Y53-L57 WeakPolarHBondContact O-CD1 3.45Å; Y53-L57 WeakPolarHBondContact O-CG 3.38Å; Y53-L57 PolarHBondContact O-N 3.02Å; L57-T60 VanDerWaalsContact CA-OG1 3.26Å; L57-T60 WeakPolarHBondContact CA-OG1 3.32Å; L57-T60 PolarHBondContact O-OG1 3.44Å; L57-M61 VanDerWaalsContact O-CB 3.26Å; L57-M61 WeakPolarHBondContact O-CB 3.43Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 3.23Å
58S55Low55.1Low25 Ų2583.1 Ų83.118%0.17543%0.432CS..Hα-helixtrans-75.5-39.6-178.9-56.40000111.3D54 F55 I56 M61 L62 K364D54-S58 PolarHBondContact O-OG 3.5Å; F55-S58 PolarHBondContact O-N 2.82Å; I56-S58 PolarHBondContact O-N 3.18Å; S58-M61 PolarHBondContact O-N 3.45Å; S58-L62 WeakPolarHBondContact O-CB 3.47Å; S58-L62 PolarHBondContact O-N 3.03Å; S58-K364 PolarHBondContact OG-NZ 3.21Å
59N52.8Low55.7Low73 Ų7382.1 Ų82.139%0.3943%0.425SS..Hα-helixtrans-69.4-38.7174.7-73.4-26.9000111.8F55 I56 M61 L62 Q63F55-N59 WeakPolarHBondContact CE1-ND2 3.3Å; F55-N59 VanDerWaalsContact CZ-ND2 3.33Å; F55-N59 WeakPolarHBondContact CZ-ND2 3.36Å; F55-N59 PolarHBondContact O-N 2.78Å; F55-N59 VanDerWaalsContact O-N 3.1Å; F55-N59 PolarHBondContact O-ND2 3.24Å; I56-N59 PolarHBondContact O-N 3.24Å; N59-M61 VanDerWaalsContact C-N 3.35Å; N59-L62 PolarHBondContact O-N 3.3Å; N59-Q63 WeakPolarHBondContact O-CB 3.36Å; N59-Q63 PolarHBondContact O-N 3.11Å
60T58.8Low56.2Low54 Ų5484 Ų8433%0.33145%0.445SS..Hα-helixtrans-67.1-35.8174.556.30000111.9I56 L57 Q64I56-T60 HydrophobicContact CG2-CG2 3.88Å; I56-T60 WeakPolarHBondContact O-CB 3.36Å; I56-T60 VanDerWaalsContact O-CG2 3.31Å; I56-T60 WeakPolarHBondContact O-CG2 3.32Å; I56-T60 PolarHBondContact O-N 3.43Å; I56-T60 PolarHBondContact O-OG1 3.03Å; L57-T60 VanDerWaalsContact CA-OG1 3.26Å; L57-T60 WeakPolarHBondContact CA-OG1 3.32Å; L57-T60 PolarHBondContact O-OG1 3.44Å; T60-Q64 WeakPolarHBondContact O-CB 3.36Å; T60-Q64 WeakPolarHBondContact O-CG 3Å; T60-Q64 PolarHBondContact O-N 3.11Å
61M57.1Low56.4Low83 Ų8380.5 Ų80.541%0.40944%0.438SS..Hα-helixtrans-71.4-35.8175.2-72.9-65.9-60.100112.1L57 S58 N59 Q64 Q65L57-M61 VanDerWaalsContact O-CB 3.26Å; L57-M61 WeakPolarHBondContact O-CB 3.43Å; L57-M61 WeakPolarHBondContact O-CG 3.36Å; L57-M61 PolarHBondContact O-N 3.23Å; S58-M61 PolarHBondContact O-N 3.45Å; N59-M61 VanDerWaalsContact C-N 3.35Å; M61-Q64 PolarHBondContact O-N 2.84Å; M61-Q65 WeakPolarHBondContact O-CB 3.48Å; M61-Q65 WeakPolarHBondContact O-CG 3.41Å; M61-Q65 PolarHBondContact O-N 3.01Å
62L62Low56.7Low53 Ų5383.1 Ų83.128%0.27746%0.46SS..Hα-helixtrans-67.1-42.8174.2-165.569.1000111.1S58 N59 Q65 A66 G347S58-L62 WeakPolarHBondContact O-CB 3.47Å; S58-L62 PolarHBondContact O-N 3.03Å; N59-L62 PolarHBondContact O-N 3.3Å; L62-Q65 PolarHBondContact O-N 2.74Å; L62-A66 PolarHBondContact O-N 3.25Å; L62-G347 WeakPolarHBondContact CD1-O 3.36Å
63Q61Low56.8Low110 Ų11082.4 Ų82.451%0.51447%0.47SS..Hα-helixtrans-60.8-46.3173.3-171.770.83100111.3N59 Q65 A66 E67N59-Q63 WeakPolarHBondContact O-CB 3.36Å; N59-Q63 PolarHBondContact O-N 3.11Å; Q63-Q65 PolarHBondContact O-N 3.2Å; Q63-A66 PolarHBondContact O-N 3.19Å; Q63-E67 VanDerWaalsContact CG-OE1 3.29Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.34Å; Q63-E67 PolarHBondContact NE2-OE1 3.1Å; Q63-E67 WeakPolarHBondContact O-CB 3.3Å; Q63-E67 VanDerWaalsContact O-CG 3.25Å; Q63-E67 WeakPolarHBondContact O-CG 3.3Å; Q63-E67 PolarHBondContact O-N 2.79Å
64Q66Low56.2Low109 Ų10980.3 Ų80.351%0.50948%0.478SS..Hα-helixtrans-65.5-34.3177.2-78170.41300113.2T60 M61 A68T60-Q64 WeakPolarHBondContact O-CB 3.36Å; T60-Q64 WeakPolarHBondContact O-CG 3Å; T60-Q64 PolarHBondContact O-N 3.11Å; M61-Q64 PolarHBondContact O-N 2.84Å; Q64-A68 VanDerWaalsContact O-CB 3.26Å; Q64-A68 WeakPolarHBondContact O-CB 3.44Å; Q64-A68 PolarHBondContact O-N 2.95Å
65Q62.6Low55.7Low86 Ų8685.1 Ų85.140%0.40250%0.498SS..Hα-helixtrans-69.5-41.7174-76.7176.70.400111.6M61 L62 Q63 A68 M69M61-Q65 WeakPolarHBondContact O-CB 3.48Å; M61-Q65 WeakPolarHBondContact O-CG 3.41Å; M61-Q65 PolarHBondContact O-N 3.01Å; L62-Q65 PolarHBondContact O-N 2.74Å; Q63-Q65 PolarHBondContact O-N 3.2Å; Q65-A68 PolarHBondContact O-N 3.44Å; Q65-M69 HydrophobicContact CB-CE 4.32Å; Q65-M69 WeakPolarHBondContact O-CG 3.31Å; Q65-M69 PolarHBondContact O-N 3.41Å; Q65-M69 VanDerWaalsContact O-N 3.12Å
66A57.7Low55.1Low54 Ų5487.1 Ų87.145%0.44651%0.513SS..Hα-helixtrans-64.1-40.4174.100000112L62 Q63 M69 A70L62-A66 PolarHBondContact O-N 3.25Å; Q63-A66 PolarHBondContact O-N 3.19Å; A66-M69 PolarHBondContact O-N 2.79Å; A66-A70 PolarHBondContact O-N 3Å
67E63.9Low54Low101 Ų10191.1 Ų91.147%0.47253%0.534SS..Hα-helixtrans-69-36.4176.4-74169.6-17400112.6Q63 M69 A70 A71Q63-E67 VanDerWaalsContact CG-OE1 3.29Å; Q63-E67 WeakPolarHBondContact CG-OE1 3.34Å; Q63-E67 PolarHBondContact NE2-OE1 3.1Å; Q63-E67 WeakPolarHBondContact O-CB 3.3Å; Q63-E67 VanDerWaalsContact O-CG 3.25Å; Q63-E67 WeakPolarHBondContact O-CG 3.3Å; Q63-E67 PolarHBondContact O-N 2.79Å; E67-M69 VanDerWaalsContact C-N 3.32Å; E67-M69 PolarHBondContact O-N 2.72Å; E67-A70 PolarHBondContact O-N 3.14Å; E67-A71 VanDerWaalsContact O-CB 3.3Å; E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.3Å
68A59.4Low53.3Low64 Ų6492.6 Ų92.653%0.52955%0.551SS.*Hα-helixtrans-65.3-35.3173.500000112.2Q64 Q65 S72Q64-A68 VanDerWaalsContact O-CB 3.26Å; Q64-A68 WeakPolarHBondContact O-CB 3.44Å; Q64-A68 PolarHBondContact O-N 2.95Å; Q65-A68 PolarHBondContact O-N 3.44Å; A68-S72 PolarHBondContact O-N 3.17Å
69M56Low52.2Low136 Ų13697.7 Ų97.767%0.6758%0.583SS**Hα-helixtrans-67.2-40.8172.1-66178.3-140.600111.2Q65 A66 E67 S72Q65-M69 HydrophobicContact CB-CE 4.32Å; Q65-M69 WeakPolarHBondContact O-CG 3.31Å; Q65-M69 PolarHBondContact O-N 3.41Å; Q65-M69 VanDerWaalsContact O-N 3.12Å; A66-M69 PolarHBondContact O-N 2.79Å; E67-M69 VanDerWaalsContact C-N 3.32Å; E67-M69 PolarHBondContact O-N 2.72Å; M69-S72 PolarHBondContact O-OG 2.92Å
70A55.2Low51.2Low72 Ų7299.9 Ų99.960%0.59560%0.604SS**Hα-helixtrans-69.1-37.3176.600000113.8A66 E67 S72 G73A66-A70 PolarHBondContact O-N 3Å; E67-A70 PolarHBondContact O-N 3.14Å; A70-S72 VanDerWaalsContact C-N 3.32Å; A70-S72 PolarHBondContact O-N 3.26Å; A70-G73 PolarHBondContact O-N 3.4Å; A70-G73 VanDerWaalsContact O-N 3.17Å
71A55.1Low50.6Low77 Ų77103.4 Ų103.464%0.63663%0.628SS**Hα-helixtrans-71.9-23.2-17900000113.4E67 G73E67-A71 VanDerWaalsContact O-CB 3.3Å; E67-A71 WeakPolarHBondContact O-CB 3.46Å; E67-A71 PolarHBondContact O-N 3.3Å; A71-G73 PolarHBondContact O-N 3.44Å
72S54.7Low49.3Very low106 Ų106103.2 Ų103.274%0.74165%0.647SS**THydrogen-bonded Turntrans-74.2-5.2172.470.90000113.7A68 M69 A70A68-S72 PolarHBondContact O-N 3.17Å; M69-S72 PolarHBondContact O-OG 2.92Å; A70-S72 VanDerWaalsContact C-N 3.32Å; A70-S72 PolarHBondContact O-N 3.26Å
73G52Low47.7Very low58 Ų58106.2 Ų106.260%0.59867%0.672SS**THydrogen-bonded Turntrans-110.926-17600000116.1A70 A71A70-G73 PolarHBondContact O-N 3.4Å; A70-G73 VanDerWaalsContact O-N 3.17Å; A71-G73 PolarHBondContact O-N 3.44Å
74S39.2Very low46.1Very low109 Ų109111 Ų11176%0.76269%0.687SS**  trans-156.5111.9171.5-86.40000113.6
75Q40.3Very low44.3Very low177 Ų177109.8 Ų109.883%0.82769%0.691SS**  trans-121.4122.4152.1-65.6-153.14.800109.5
76N37.3Very low42.7Very low133 Ų133109.6 Ų109.671%0.71170%0.699SS**  trans66.7135157.2-66.7-59.1000116.6
77L34.2Very low41.3Very low160 Ų160116.7 Ų116.784%0.83872%0.716SS**  cis-154.6143.644.9-75157000111.4
78S38.4Very low39.6Very low105 Ų105120.1 Ų120.173%0.73473%0.732SS**  trans-73.7159.6154.933.50000111
79P32.9Very low38.1Very low131 Ų131124.4 Ų124.485%0.85175%0.745SS**  -146161.1111.731.4-12000116.1
80S30.9Very low37.2Very low120 Ų120123.1 Ų123.184%0.83975%0.747SS**  trans-76.5175.5-178.6-100.70000114.9
81P47.7Very low35.9Very low128 Ų128124.7 Ų124.783%0.83175%0.754SS**  trans-99.8161.7-148.439-34.9000115.7
82G28.8Very low35.6Very low78 Ų78126.4 Ų126.480%0.80476%0.758SS**  trans-170.9130.7170.100000114.4
83S28.1Very low34.3Very low116 Ų116129.5 Ų129.581%0.81176%0.761SS**  trans-46.8149-177.3570000119.8
84Y27.1Very low33.1Very low211 Ų211132.9 Ų132.983%0.82777%0.765SS**  162.9125104-174.4-101.2000113.2
85S29.6Very low32.8Very low83 Ų83133.2 Ų133.258%0.5877%0.767SS**  trans20.4141.7147-139.60000124.6
86S27.9Very low32.3Very low83 Ų83128.4 Ų128.458%0.5876%0.758SS**  101.5102.9124.1144.80000121.1
87Y29.1Very low32Very low203 Ų203130.8 Ų130.880%0.79677%0.765SS**  trans76.5132.4130.6-59.8-63.4000124.3
88Q27.2Very low31.9Very low173 Ų173127.9 Ų127.981%0.80876%0.758SS**  trans104.8108.5135.3-12571.9-5.900120.9
89L27.6Very low31.7Very low153 Ų153130.1 Ų130.180%0.80176%0.761SS**  trans-67.1177.1151.7-88.1143.8000111.3
90P38.8Very low31.7Very low109 Ų109132.4 Ų132.471%0.70876%0.763SS**  cis-142.3163.514.636.3-14.4000118.7
91S27.3Very low31.8Very low106 Ų106133.2 Ų133.274%0.74176%0.757SS**  trans38.2178.7135.9-56.50000123.8
92P48.4Very low31.1Very low112 Ų112136.6 Ų136.673%0.72776%0.755SS**  -131.3-160.3-64.940.6-22.8000110.7
93Q28Very low31.3Very low172 Ų172138.8 Ų138.880%0.80475%0.753SS**  trans121141.1166.6-69.3-178.4-13.700111.6
94D26.1Very low31.6Very low129 Ų129140.6 Ų140.669%0.6975%0.752SS**  cis-174.9147.8-11.9-111-33.7000105.3
95S32.3Very low32.2Very low115 Ų115136.3 Ų136.380%0.80475%0.75SS**  trans63.2150.9144.268.90000118.7
96A30.4Very low32.3Very low77 Ų77139.4 Ų139.464%0.63676%0.76SS**  cis179.5158.95.200000107.7
97H31.4Very low32.6Very low183 Ų183142.9 Ų142.985%0.84777%0.77SS**  trans70.4141.9151.4-82.1-114.2000118.3
98S32.8Very low32.7Very low99 Ų99137.7 Ų137.769%0.69276%0.764SS**  cis-170153.88.840.30000109.8
99D33Very low33Very low151 Ų151137.1 Ų137.181%0.80777%0.766SS**  trans-50.1157.8171.1-56.8-65.4000115.5
100M33.8Very low33.2Very low180 Ų180136.8 Ų136.889%0.88777%0.77SS**  -171131.6126.6-97.3-66.4-99.100112.5
101L32.3Very low32.9Very low137 Ų137137.3 Ų137.372%0.71778%0.777SS**  trans-78155.1179.4-63.3159.3000112.2
102Y33.5Very low34.3Very low198 Ų198137.7 Ų137.778%0.77678%0.776SS**  161.5132.5109.5-107.5-85.3000115.6
103T31.9Very low33.7Very low124 Ų124138.6 Ų138.676%0.76179%0.785SS**  trans72.7132.8142.933.60000125.9
104I35.7Very low33.8Very low155 Ų155134.3 Ų134.380%0.79579%0.787SS**  trans-90.4150.7167.3-60.7164.3000109.4
105P38.3Very low33.9Very low121 Ų121131.4 Ų131.479%0.78679%0.788SS**  trans-105.9145.9157.935-24.7000113.1
106D32.3Very low33.6Very low147 Ų147136.3 Ų136.379%0.78680%0.795SS**  trans-111.7137.9174.3-172.75.3000108.4
107I34.4Very low33.6Very low156 Ų156139.3 Ų139.380%0.881%0.805SS**  trans-146.6124.9164.3-46.3175.9000109.8
108S31.3Very low33.6Very low95 Ų95134.8 Ų134.866%0.66480%0.799SS**  trans-93.3143.5170.929.30000110.2
109D33.2Very low33.5Very low161 Ų161137.9 Ų137.986%0.86180%0.803SS**  trans-177.6104.1152.9-93.3-27.7000111.9
110V33.1Very low33.6Very low146 Ų146137.3 Ų137.389%0.88580%0.799SS**  trans-144.8122.2156.9176.30000109.4
111S30.8Very low33.5Very low120 Ų120137.6 Ų137.684%0.83980%0.801SS**  trans-153159.1158.2-91.50000111.8
112P57Low33.8Very low114 Ų114142 Ų14274%0.7481%0.808SS**  trans-117.8165-141.240.1-29.2000115.1
113S35.4Very low34.4Very low130 Ų130138.4 Ų138.491%0.90981%0.809SS**  trans174.2147.6150.539.80000116.1
114G30.2Very low34.7Very low82 Ų82140.7 Ų140.785%0.84581%0.811SS**  trans105.5116.4156.900000115.7
115G28.1Very low34.5Very low69 Ų69142.1 Ų142.171%0.71182%0.819SS**  cis95.489.310.200000113
116F27.5Very low34.2Very low218 Ų218143.6 Ų143.696%0.95682%0.82SS**  trans-147.2138157.8-94.3-82.4000111.6
117V30.1Very low35Very low140 Ų140141.7 Ų141.785%0.84882%0.816SS**  trans-121.6170.5-178.6-114.10000108.9
118A31.3Very low34.9Very low87 Ų87138.2 Ų138.272%0.71981%0.811SS**  trans91.5140.9166.100000114.9
119E29.8Very low34.9Very low164 Ų164143.5 Ų143.577%0.76682%0.817SS**  cis-164.1167.111.4-160.965.8-17300109.7
120L36.3Very low34.8Very low139 Ų139142.9 Ų142.973%0.72881%0.813SS**  trans-56.9156.7-174.7-62.9139.5000118.4
121M30.9Very low34.6Very low187 Ų187144.8 Ų144.892%0.92181%0.812SS**  -153.6121.6124.3-90.4-137.2-16200111.7
122R39.9Very low35.4Very low228 Ų228143.9 Ų143.986%0.8680%0.803SS**  trans-106.8158.7149.3-96.9-171.3173.8123.6-2107.6
123P44.4Very low34.1Very low124 Ų124145 Ų14581%0.80581%0.809SS**  -128.8149.3127.515.54.4000113.1
124E39.2Very low34Very low172 Ų172144 Ų14480%0.80480%0.801SS**  trans-72.9161177.1-59-175.5140.200113.2
125L31.8Very low34.2Very low184 Ų184148.2 Ų148.296%0.96380%0.804SS**  trans-163139.6135.4-99.8153.3000110.1
126D31.1Very low34.6Very low152 Ų152154.2 Ų154.281%0.81381%0.813SS**  trans-89.7175.1-153.4-122.60.8000115.3
127P49.3Very low34.7Very low107 Ų107146.5 Ų146.570%0.69580%0.795SS**  trans-100.4153.9-156.939.5-37.7000114.5
128A31.9Very low35Very low83 Ų83149.9 Ų149.969%0.68680%0.798SS**  trans-178154.4144.700000111.2
129Y31.1Very low34.7Very low206 Ų206154.7 Ų154.781%0.80880%0.803SS**  trans110.797.7162.9-71.6-89.3000119
130L32.3Very low34.9Very low148 Ų148153.2 Ų153.278%0.77581%0.805SS**  trans60.2105.3131.2-61.8174.9000120.9
131H29.2Very low34.5Very low187 Ų187151.3 Ų151.387%0.86680%0.799SS**  31.2160.4123.2-98.1-62000123.1
132P46.9Very low34.7Very low100 Ų100151.6 Ų151.665%0.64980%0.795SS**  -113.1155.8-119.239.1-24.1000114
133T30.5Very low34.2Very low139 Ų139145.6 Ų145.685%0.85378%0.784SS**  trans-170126.4141.937.80000111.6
134S32.4Very low33.7Very low108 Ų108146 Ų14676%0.75578%0.784SS**  trans31.4111.5141.4-153.60000118.5
135L33.4Very low33.3Very low171 Ų171145.3 Ų145.390%0.89578%0.783SS**  trans-159.9126.8141.2-104.6148.1000111.4G137L135-G137 PolarHBondContact O-N 2.87Å
136H36.6Very low33.1Very low194 Ų194143.3 Ų143.390%0.89877%0.773SS**  trans-43.7120.3175.3-80105.4000113.4
137G29.7Very low33.3Very low57 Ų57144.8 Ų144.859%0.58878%0.777SS**  trans-139.5119.8172.400000110.5L135 F139L135-G137 PolarHBondContact O-N 2.87Å; G137-F139 PolarHBondContact O-N 3.32Å
138K36.5Very low32.6Very low211 Ų211143.1 Ų143.192%0.91777%0.773SS**  trans-58.3111.9-179.7-64.1162.6-179.4170.70110.2V140K138-V140 PolarHBondContact O-N 3.34Å
139F25.5Very low32.8Very low188 Ų188148 Ų14883%0.82578%0.782SS**  trans-77107.8165-81.4-89.5000109.4G137 V141G137-F139 PolarHBondContact O-N 3.32Å; F139-V141 VanDerWaalsContact C-N 3.27Å; F139-V141 HydrophobicContact CB-CG2 4.15Å; F139-V141 PolarHBondContact O-N 3.49Å; F139-V141 VanDerWaalsContact O-N 3.13Å
140V33.1Very low32.7Very low133 Ų133148 Ų14881%0.80678%0.781SS**  trans-71.692.1153.1174.30000105.9K138 K142K138-V140 PolarHBondContact O-N 3.34Å; V140-K142 PolarHBondContact O-N 3.01Å; V140-K142 VanDerWaalsContact O-N 3.1Å
141V29.8Very low32.5Very low99 Ų99144.5 Ų144.560%0.678%0.781SS**  trans-73.399.2167177.10000106.8F139 T143F139-V141 VanDerWaalsContact C-N 3.27Å; F139-V141 HydrophobicContact CB-CG2 4.15Å; F139-V141 PolarHBondContact O-N 3.49Å; F139-V141 VanDerWaalsContact O-N 3.13Å; V141-T143 HydrophobicContact CG1-CG2 3.43Å; V141-T143 VanDerWaalsContact CG1-CG2 3.43Å; V141-T143 PolarHBondContact O-N 3.27Å; V141-T143 VanDerWaalsContact O-N 3.11Å
142K34.8Very low32.7Very low193 Ų193142.6 Ų142.684%0.83977%0.773SS**  trans-79.675.1163.8-154.5175.8-172.6179.30106.9V140 T144V140-K142 PolarHBondContact O-N 3.01Å; V140-K142 VanDerWaalsContact O-N 3.1Å; K142-T144 PolarHBondContact O-N 3.37Å
143T28.1Very low31.8Very low101 Ų101142.7 Ų142.762%0.6278%0.776SS**  trans-75.4100.7166.632.30000108V141 M145V141-T143 HydrophobicContact CG1-CG2 3.43Å; V141-T143 VanDerWaalsContact CG1-CG2 3.43Å; V141-T143 PolarHBondContact O-N 3.27Å; V141-T143 VanDerWaalsContact O-N 3.11Å; T143-M145 PolarHBondContact O-N 3.07Å; T143-M145 VanDerWaalsContact O-N 3.15Å
144T34.8Very low31.7Very low132 Ų132143.7 Ų143.781%0.8177%0.774SS**  trans-55.4104.6146.645.40000107.1K142 D146K142-T144 PolarHBondContact O-N 3.37Å; T144-D146 PolarHBondContact O-N 3.12Å
145M30.7Very low31.5Very low158 Ų158145.8 Ų145.878%0.77878%0.777SS**  trans-87.4105.6165-77.6-167.579.300107.9T143T143-M145 PolarHBondContact O-N 3.07Å; T143-M145 VanDerWaalsContact O-N 3.15Å
146D28.3Very low31.2Very low143 Ų143143.9 Ų143.977%0.76577%0.772SS**  trans-48.9133.8159.8-141-46.4000110.1T144 A148T144-D146 PolarHBondContact O-N 3.12Å; D146-A148 PolarHBondContact O-N 2.76Å
147M34.1Very low30.7Very low182 Ų182142.1 Ų142.190%0.89777%0.768SS**  trans-100.471.6175.6-77.4-82.2152.600108.2
148A34.2Very low30.6Very low73 Ų73144.9 Ų144.960%0.60378%0.778SS**  trans-120.6134.3165.400000109D146D146-A148 PolarHBondContact O-N 2.76Å
149E36.1Very low30.3Very low186 Ų186144.8 Ų144.887%0.86978%0.778SS**  trans75.187.3168.7-58.1-176.8166.400118
150Y29.5Very low30.4Very low204 Ų204141 Ų14180%0.878%0.781SS**  trans-135.777138.1-131-89.9000109.4Q152Y150-Q152 HydrophobicContact CE1-CG 4.25Å
151G28.6Very low30.2Very low75 Ų75138 Ų13877%0.77378%0.778SS**  trans-82.6116.1157.800000108.6
152Q32.4Very low30.1Very low147 Ų147140.5 Ų140.569%0.68779%0.793SS**  trans-118.395.7157.6-96.4179.2-13.600108.7Y150Y150-Q152 HydrophobicContact CE1-CG 4.25Å
153S28.1Very low29.7Very low103 Ų103134.3 Ų134.372%0.7278%0.784SS**  trans-1.3117.7149.856.20000117
154I29Very low29.8Very low159 Ų159136.3 Ų136.382%0.81580%0.796SS**  trans-103.7118.2141.4-62.1179.4000105.7V156I154-V156 PolarHBondContact O-N 3.36Å
155N27.7Very low29.5Very low153 Ų153135.4 Ų135.482%0.81880%0.795SS**  trans-57.5118.6176.6-79.1-30.2000110.2
156V27.6Very low29.4Very low130 Ų130132.8 Ų132.879%0.78880%0.798SS**  trans-114.5118.7158.6-175.30000107.1I154 S158I154-V156 PolarHBondContact O-N 3.36Å; V156-S158 PolarHBondContact O-N 3.2Å
157I27Very low29.5Very low158 Ų158130.5 Ų130.581%0.8180%0.799SS**  trans-60.1117.6177.7-67159.2000108.5
158S27.7Very low29.4Very low115 Ų115128.6 Ų128.680%0.80480%0.798SS**  trans-85.1121.4170.931.50000110.4V156V156-S158 PolarHBondContact O-N 3.2Å
159K28.3Very low29.3Very low208 Ų208132.7 Ų132.790%0.90481%0.81SS**  trans-115121.2153.2-98.5-176.1175.4177.90107.1
160A29.6Very low29.2Very low109 Ų109129.2 Ų129.290%0.90180%0.803SS**  trans-100.1153.9177.400000111.4
161G27.3Very low29.6Very low71 Ų71125.1 Ų125.173%0.73281%0.805SS**  trans125.2129169.700000110.9
162V29.1Very low29.6Very low150 Ų150126.8 Ų126.891%0.90980%0.804SS**  cis-157.81628.71710000106.5
163G26.7Very low29.9Very low64 Ų64127.3 Ų127.366%0.6681%0.811SS**  trans-51.3173.6-17700000116.8
164V28.4Very low30.6Very low143 Ų143127.2 Ų127.287%0.86781%0.808SS**  -161.716366.6-1540000110
165S29.3Very low30.6Very low113 Ų113128.5 Ų128.579%0.7981%0.808SS**  trans-41146.7178.2-15.70000118.8
166A28Very low30.6Very low103 Ų103127.4 Ų127.485%0.85181%0.806SS**  173.4144.612300000111.5
167A31.9Very low30.6Very low95 Ų95127 Ų12779%0.78581%0.808SS**  trans-75.6146.9-177.700000113.8
168T30.3Very low30.7Very low142 Ų142128 Ų12887%0.87181%0.809SS**  trans-172141.3142.121.40000110
169D32Very low30.9Very low159 Ų159130.5 Ų130.585%0.8581%0.81SS**  trans-51.7157177.9-65.5-57.9000113.8
170P34.3Very low31.2Very low112 Ų112126.7 Ų126.773%0.72780%0.798SS**  -151.4145.898.934.6-15.1000116.7S172P170-S172 PolarHBondContact O-N 3.13Å
171S37.7Very low31.3Very low119 Ų119130.6 Ų130.683%0.83280%0.795SS**  trans-52.2110.5148.547.50000112.2
172S29.5Very low31.6Very low110 Ų110133.7 Ų133.777%0.76979%0.79SS**  trans177.3114.5139.851.90000109.8P170P170-S172 PolarHBondContact O-N 3.13Å
173L37.9Very low31.7Very low158 Ų158134.5 Ų134.583%0.82778%0.784SS**  trans-80.5163.4164-90.5-175.9000108
174P42.6Very low31.9Very low100 Ų100138.4 Ų138.465%0.64979%0.79SS**  -162.1170.358.148-25.9000123.2
175F29Very low32.5Very low186 Ų186136.2 Ų136.282%0.81678%0.779SS**  trans80.181.6153.2-64.1-60.7000119.8C177F175-C177 PolarHBondContact O-N 3.12Å
176V28.4Very low32.9Very low130 Ų130135.5 Ų135.579%0.78877%0.773SS**  trans-55.7122.2147.4177.40000109.3H178V176-H178 PolarHBondContact O-N 3.37Å
177C27.7Very low33Very low121 Ų121137.9 Ų137.982%0.81877%0.769SS**  trans-62.4104169.3-82.30000109.5F175 M179F175-C177 PolarHBondContact O-N 3.12Å; C177-M179 PolarHBondContact O-N 3.37Å
178H29.4Very low33.2Very low180 Ų180136.8 Ų136.883%0.83375%0.754SS**  trans-61.8110.6167.6-123.1-63.9000108.2V176 I180V176-H178 PolarHBondContact O-N 3.37Å; H178-I180 PolarHBondContact O-N 3.17Å
179M31Very low33.4Very low168 Ų168137.3 Ų137.383%0.82875%0.752SS**  trans-57.4122164.3-68.3-165.6-64.100107.4C177 K181C177-M179 PolarHBondContact O-N 3.37Å; M179-K181 PolarHBondContact O-N 3.48Å
180I36.2Very low33.7Very low127 Ų127134.4 Ų134.465%0.65174%0.735SS**  trans-67.387.2173.1-59.3173.5000107.1H178 Q182H178-I180 PolarHBondContact O-N 3.17Å; I180-Q182 HydrophobicContact CG2-CG 3.78Å; I180-Q182 PolarHBondContact O-N 3.41Å
181K29.7Very low33.7Very low191 Ų191135.7 Ų135.783%0.8374%0.741SS**  trans-80.3102.6163.7-147.9173.9-175.5-175.80104.9M179 E183M179-K181 PolarHBondContact O-N 3.48Å; K181-E183 VanDerWaalsContact C-N 3.34Å; K181-E183 PolarHBondContact O-N 3.31Å
182Q34.6Very low33.4Very low137 Ų137137 Ų13764%0.6473%0.734SS**  trans-74.391.8176.8-71.1-144.3-6.700109.6I180I180-Q182 HydrophobicContact CG2-CG 3.78Å; I180-Q182 PolarHBondContact O-N 3.41Å
183E30.5Very low33.6Very low166 Ų166136.9 Ų136.978%0.77673%0.731SS**  trans-109127.6149-72.8-171.715000107.6K181K181-E183 VanDerWaalsContact C-N 3.34Å; K181-E183 PolarHBondContact O-N 3.31Å
184N30.8Very low33.3Very low147 Ų147137.2 Ų137.279%0.78673%0.73SS**SBendtrans74.3105.8-173.9-64.8-52.5000116.9S186N184-S186 PolarHBondContact O-N 3.02Å; N184-S186 VanDerWaalsContact O-N 3.08Å
185P42.5Very low32.6Very low97 Ų97140.2 Ų140.263%0.6374%0.741SS**  trans-66.8109.2159.928.2-28000107.3M187P185-M187 PolarHBondContact O-N 3.2Å
186S35.9Very low32.7Very low97 Ų97139.2 Ų139.268%0.67874%0.743SS**  trans-6187.7160.638.80000107.6N184 C188N184-S186 PolarHBondContact O-N 3.02Å; N184-S186 VanDerWaalsContact O-N 3.08Å; S186-C188 VanDerWaalsContact C-N 3.33Å; S186-C188 PolarHBondContact O-N 3.1Å
187M30.8Very low32.9Very low154 Ų154141.7 Ų141.776%0.75975%0.745SS**  trans-59.399.4165.9-70.2-78.8-154.400106.5P185 N189P185-M187 PolarHBondContact O-N 3.2Å; M187-N189 PolarHBondContact O-N 3.14Å; M187-N189 VanDerWaalsContact O-N 3.12Å
188C35.6Very low33.1Very low71 Ų71144.6 Ų144.648%0.4875%0.752SS.*  trans-60.2117.2158.1-68.10000106.2S186 I190 C342S186-C188 VanDerWaalsContact C-N 3.33Å; S186-C188 PolarHBondContact O-N 3.1Å; C188-I190 PolarHBondContact O-N 3.29Å; C188-C342 VanDerWaalsContact SG-SG 3.62Å
189N35.6Very low33Very low153 Ų153139.8 Ų139.882%0.81875%0.751SS**  trans-47.2108.3-177.8-79.5-28.2000110.6M187 T191M187-N189 PolarHBondContact O-N 3.14Å; M187-N189 VanDerWaalsContact O-N 3.12Å; N189-T191 PolarHBondContact O-N 3.18Å
190I37.7Very low32.9Very low99 Ų99135.1 Ų135.151%0.50875%0.746SS.*  trans-78.5102.2165.8-63.5170.5000104.6C188 Q192 E338C188-I190 PolarHBondContact O-N 3.29Å; I190-Q192 HydrophobicContact CG2-CG 3.85Å; I190-Q192 PolarHBondContact O-N 3.47Å; I190-E338 HydrophobicContact CD1-CG 4.29Å
191T33.6Very low32.7Very low138 Ų138136 Ų13685%0.84776%0.757SS**  trans-66.699.8166.3-36.40000107.2N189N189-T191 PolarHBondContact O-N 3.18Å
192Q32.4Very low32.6Very low147 Ų147134 Ų13469%0.68776%0.755SS**  trans-82.4143.9169.6-69.9-163.4-9.400110I190I190-Q192 HydrophobicContact CG2-CG 3.85Å; I190-Q192 PolarHBondContact O-N 3.47Å
193P33.7Very low32.3Very low107 Ų107132 Ų13270%0.69576%0.757SS**  trans-84.8126.2172.732.4-28.8000111.7
194M32.3Very low32.3Very low165 Ų165132.4 Ų132.481%0.81376%0.758SS**  trans55122.5148.4-32.6-53179.500121.1
195D26.4Very low32.2Very low163 Ų163130.5 Ų130.587%0.87276%0.757SS**  trans-118.5108.1147-98.4-47.1000109.1
196L31.9Very low31.8Very low165 Ų165134.2 Ų134.286%0.86477%0.765SS**PPolyproline II helixtrans-83.2119.7171.4-109.3146.7000108.2
197H32.2Very low32.1Very low182 Ų182134.5 Ų134.584%0.84377%0.765SS**PPolyproline II helixtrans-64.7133.6176.1-87.564.6000111.7
198L33.3Very low32.2Very low183 Ų183137.5 Ų137.596%0.95877%0.768SS**PPolyproline II helixtrans-65.8133.3166.7-71.5164.5000111.1
199G27.3Very low31.9Very low78 Ų78140 Ų14080%0.80478%0.781SS**  trans-153.3103.3160.500000108.3
200G28.5Very low31.6Very low71 Ų71136.2 Ų136.273%0.73278%0.778SS**  trans-82.8163-177.100000113.8
201V30.8Very low31.3Very low146 Ų146141 Ų14189%0.88580%0.798SS**  -177.7137115.7-86.40000111.7
202N28Very low31.3Very low148 Ų148145.6 Ų145.679%0.79180%0.8SS**  trans58.8110.6145.9-89.6-11000124
203S28.7Very low31.8Very low95 Ų95144.2 Ų144.266%0.66480%0.804SS**  100.1137.4108.469.70000121.3
204H30.8Very low31.6Very low174 Ų174146.3 Ų146.381%0.80680%0.804SS**  trans90.7117.2154.7-85-76.9000122.4
205S29.3Very low31.6Very low108 Ų108144.2 Ų144.276%0.75580%0.795SS**  trans71.4109.713951.70000121.8
206Q34.3Very low31.7Very low174 Ų174142.7 Ų142.781%0.81379%0.787SS**  trans-59.8160.4137.7-78.2-95.2-33.700110.1
207P41.8Very low32.6Very low104 Ų104139.5 Ų139.568%0.67578%0.777SS**  cis-15617444.541.2-18.4000120
208R31.9Very low32.6Very low216 Ų216139.8 Ų139.882%0.81578%0.778SS**  trans81.6136.7137.1-90.6175.7-167.5-104.81.6124.1
209T30.1Very low32.4Very low125 Ų125134.2 Ų134.277%0.76777%0.765SS**  trans78.4104145.253.30000121.6
210G28.9Very low32.4Very low72 Ų72140.8 Ų140.874%0.74277%0.772SS**  60.4116111.900000119.7
211Q31.5Very low32.5Very low201 Ų201142.4 Ų142.494%0.93977%0.772SS**  -176.9146119.5-98.7176.141.400111
212R32.7Very low32.8Very low233 Ų233141.6 Ų141.688%0.87977%0.77SS**  trans-120.6138.6171.2-150.1-175.8-175.4-127.60.5105.8
213P42.9Very low32.8Very low118 Ų118138.1 Ų138.177%0.76677%0.769SS**  -145.2137.7114.730.6-11.6000111.9
214H30.5Very low32.7Very low151 Ų151137.4 Ų137.470%0.69978%0.776SS**  98.7111.276.8-170.6-86000113.7
215L31.3Very low32.6Very low121 Ų121135.2 Ų135.263%0.63478%0.779SS**  trans42.9145.1150.5-51-174.6000120.1
216D29.6Very low32.9Very low131 Ų131135.9 Ų135.970%0.70178%0.781SS**  cis-167.8-163.4-2.2-101.1-28.5000105.8
217P50.8Low32.7Very low99 Ų99136.6 Ų136.664%0.64379%0.786SS**  -107.1179.1-108.725.30.8000112.7
218H32.8Very low32.2Very low188 Ų188138.2 Ų138.287%0.8780%0.795SS**  trans163.8121.8141.1-86.1-64.4000111.1
219G27.6Very low32.1Very low66 Ų66132.2 Ų132.268%0.6879%0.791SS**  66.5130.5125.700000121.3
220F28.3Very low32.2Very low216 Ų216132.3 Ų132.395%0.94780%0.797SS**  trans104136.1148.4-74.2-86.7000120.7
221S30.4Very low32.3Very low105 Ų105140.3 Ų140.373%0.73481%0.805SS**PPolyproline II helixtrans-58.7162-169.2-64.90000117.2
222P36.2Very low32.3Very low129 Ų129136.5 Ų136.584%0.83880%0.801SS**PPolyproline II helixtrans-72.8133.2177.629.5-33.2000112.2
223G28.8Very low32.1Very low75 Ų75129.3 Ų129.377%0.77379%0.791SS**PPolyproline II helixtrans-70.1147.117400000113.2
224G26.6Very low31.4Very low80 Ų80129.1 Ų129.183%0.82579%0.792SS**PPolyproline II helixtrans-74.6162.2170.300000113.1
225C28.8Very low31.3Very low128 Ų128126.3 Ų126.387%0.86579%0.79SS**PPolyproline II helixtrans-89.8142.5167.6-63.70000110.3
226P35.3Very low31.2Very low122 Ų122128.6 Ų128.679%0.79280%0.802SS**PPolyproline II helixtrans-85.5139.5-17633.5-32.8000112
227M30.2Very low31.1Very low188 Ų188127.5 Ų127.593%0.92680%0.804SS**PPolyproline II helixtrans-100.3124.8162.5-73.4-68.4177.800108.9
228T32.1Very low30.8Very low139 Ų139127.4 Ų127.485%0.85380%0.804SS**PPolyproline II helixtrans-70.8132.4175.846.40000111.1
229A28.8Very low30.6Very low89 Ų89124.8 Ų124.874%0.73680%0.796SS**PPolyproline II helixtrans-75.1148.6173.200000112.1
230S32.2Very low30.7Very low128 Ų128129.7 Ų129.790%0.89580%0.801SS**  trans-154.3120.3143.3-76.30000109.6
231R31Very low31Very low239 Ų239127.1 Ų127.190%0.90279%0.791SS**  trans-82.9150.6-178.4-70.6164.8131.9-168.2-3.2111.2
232S31Very low31.4Very low122 Ų122127.6 Ų127.685%0.85379%0.792SS**  trans163.7149.1135.3380000108.1
233A28.3Very low31Very low81 Ų81126.2 Ų126.267%0.66979%0.785SS**  cis-171150.3-19.300000104.9
234S29.4Very low31.1Very low115 Ų115128.2 Ų128.280%0.80479%0.787SS**  trans70.4144.5157.6-43.20000116
235S28.2Very low31.3Very low92 Ų92133 Ų13364%0.64379%0.788SS**  cis175.8151.2-2.5460000105.6
236L29.3Very low31.2Very low169 Ų169131.9 Ų131.989%0.88578%0.777SS**  trans80.7103.4158.3-57.8158.9000118.6
237S26.6Very low30.9Very low107 Ų107133.3 Ų133.375%0.74878%0.778SS**  trans-69.2178.3142.9-52.60000109.5
238P44.5Very low30.8Very low98 Ų98130.1 Ų130.164%0.63677%0.774SS**  cis-153.5177.319.347.1-25.9000119.5
239D28.1Very low31Very low132 Ų132132.1 Ų132.171%0.70677%0.773SS**  trans93.8134.8132.4-75.6-28.9000125
240H30.7Very low31.3Very low169 Ų169133.8 Ų133.878%0.78278%0.776SS**  trans96.498.3140.1-80.8-56.8000122.5
241H34.3Very low31.3Very low162 Ų162136.5 Ų136.575%0.7578%0.775SS**  trans-59.2156.2135.3-112.6-77.9000111.6
242P38.8Very low31.6Very low116 Ų116132.7 Ų132.775%0.75377%0.771SS**  -145.814097.125.4-3.2000114
243S28.8Very low31.8Very low99 Ų99132.3 Ų132.369%0.69277%0.765SS**  73.7106.686-64.50000116.7
244S30.9Very low31.9Very low117 Ų117136.4 Ų136.482%0.81878%0.775SS**  40.3137.6128.9-53.50000122.3
245Q30.8Very low32.6Very low181 Ų181137.1 Ų137.185%0.84678%0.777SS**  trans159.6147.6131.9-70.7-119.41.500106.2
246V27Very low32.7Very low104 Ų104136 Ų13663%0.6378%0.781SS**  cis-172.6155.42126.90000107.6
247L27.6Very low32.8Very low153 Ų153137.6 Ų137.680%0.80178%0.783SS**  trans24.8129157.8-79.176.2000121
248S28.7Very low32.8Very low121 Ų121135.5 Ų135.585%0.84678%0.779SS**  -170.9128.7112.623.80000112.6
249H35.6Very low32.1Very low181 Ų181141 Ų14184%0.83879%0.788SS**  trans-69.1163.5165.4-94-80.6000111.3
250P35.7Very low32.2Very low123 Ų123141.8 Ų141.880%0.79979%0.787SS**  -135.1153.7123.826.5-9.2000115
251Q31.8Very low32.2Very low185 Ų185141.4 Ų141.486%0.86479%0.786SS**  trans-80.2155.6-175.8-76.6159.8-87.300114.4
252I37Very low31.9Very low159 Ų159139.5 Ų139.582%0.81579%0.79SS**  trans-66.2150162-60.2160.1000110.8
253P34.9Very low31.6Very low115 Ų115139.5 Ų139.575%0.74779%0.793SS**  trans-137.2131.1146.833.2-16.9000115
254L31.7Very low32.2Very low166 Ų166140.9 Ų140.987%0.86980%0.8SS**  trans-149.2162.4147.3-77-177.8000105.5
255P43.9Very low32.2Very low130 Ų130141.3 Ų141.384%0.84480%0.797SS**  cis-142.3-178.620.138.1-16.6000115.8
256G29.9Very low32.2Very low70 Ų70136.9 Ų136.972%0.72279%0.786SS**  trans-175.1104.9165.800000115.9
257Q31.3Very low32.3Very low201 Ų201142.6 Ų142.694%0.93980%0.798SS**  trans23.8138.4141.9-51.8179.4-1.400119.1
258G27.4Very low32.5Very low63 Ų63140 Ų14065%0.64979%0.793SS**  cis153.8-17430.300000107.7
259Y29.9Very low33.1Very low215 Ų215140 Ų14084%0.84379%0.79SS**  trans98.993.5173.4-51.1-79.8000120
260H30.5Very low33.1Very low148 Ų148140.2 Ų140.269%0.68579%0.789SS**  49.4127124.3-63.3-75.7000124.6
261H29.7Very low33.1Very low161 Ų161140.3 Ų140.375%0.74579%0.789SS**  trans29.3126.7139.1-50.2-67.8000120.9
262S28.5Very low33.3Very low121 Ų121139 Ų13985%0.84678%0.784SS**  -179.3128.4106.526.70000112.4
263S32.8Very low33Very low116 Ų116139.3 Ų139.381%0.81178%0.781SS**  trans-66.1161.9156.8-48.60000109.9
264P41.3Very low33.3Very low128 Ų128139.2 Ų139.283%0.83178%0.781SS**  -139.9158117.731.6-15.4000116
265T29.4Very low33.2Very low126 Ų126134.9 Ų134.977%0.77378%0.777SS**  trans-62.3153178.4-290000114.5
266S32.3Very low32.8Very low88 Ų88134.7 Ų134.762%0.61578%0.778SS**  trans38.8124.8142.163.80000120.7
267Y28.2Very low33.2Very low224 Ų224139.3 Ų139.388%0.87879%0.786SS**  177.6135.9104.9-112.4-97.9000110.1
268S32.7Very low33.3Very low100 Ų100139 Ų13970%0.69978%0.776SS**  trans-70.8156.4156.3-110.80000109
269P40.1Very low33.6Very low120 Ų120146.9 Ų146.978%0.77979%0.787SS**  -149.9162.96833.7-11.3000117
270F35.6Very low34Very low186 Ų186143.6 Ų143.682%0.81678%0.78SS**  trans-45.7151.3163.4-100.9-98.6000113.6
271P36.5Very low34.4Very low124 Ų124145.1 Ų145.181%0.80579%0.787SS**  -127.3135.2125.813.95.8000112.7
272Q35.3Very low34.9Very low159 Ų159145.8 Ų145.874%0.74380%0.796SS**  trans-68.8152.3167.8-59.9169.617.800111.1
273Q30.5Very low35.3Very low164 Ų164148.9 Ų148.977%0.76680%0.799SS**  trans172.8165.7140-86.6-36.3-62.400108.1
274P41.8Very low35.5Very low113 Ų113149 Ų14973%0.73480%0.8SS**  -131171.3-8030.9-8.3000113.8
275G30.4Very low36Very low76 Ų76148.8 Ų148.878%0.78480%0.798SS**  trans78.776.614100000119.1
276S34.3Very low36.9Very low126 Ų126146.9 Ų146.988%0.88180%0.804SS**  trans-77.6138.4153.8-175.30000110.1
277L37.7Very low37.1Very low167 Ų167146.1 Ų146.187%0.87481%0.81SS**  trans-63.2137.4-176.4-77.1162.5000112.6
278R34.9Very low37.4Very low194 Ų194143.1 Ų143.173%0.73281%0.809SS**  trans-65.6115.4180-172.9-178.3-176.5152.7-0.6110.9Q280R278-Q280 HydrophobicContact CG-CG 4.26Å
279Y32.8Very low37.5Very low228 Ų228144.8 Ų144.889%0.89482%0.819SS**  trans-101.7112.9150.4-105.5-93.6000107.4E281Y279-E281 PolarHBondContact O-N 2.85Å
280Q39.8Very low37.8Very low147 Ų147146.5 Ų146.569%0.68782%0.821SS**  trans-76.3113.4169.5-90.4165.9-39.900107.9R278R278-Q280 HydrophobicContact CG-CG 4.26Å
281E37.1Very low38.5Very low180 Ų180143 Ų14384%0.84182%0.817SS**  trans-114.8135.8161-134.6168.4140.700108.8Y279Y279-E281 PolarHBondContact O-N 2.85Å
282L40.4Very low38.8Very low175 Ų175145.2 Ų145.292%0.91682%0.817SS**  trans-67.9126.3-159.4-68.2150000111.6
283M37.5Very low39.3Very low185 Ų185145.8 Ų145.891%0.91182%0.819SS**  trans-83.8129.7165.3-65.6174.98500109.6
284S37.3Very low40.4Very low119 Ų119143.5 Ų143.583%0.83282%0.819SS**  trans-139.9151.9150.9-85.90000109.3
285P51.9Low40.7Very low123 Ų123146.4 Ų146.480%0.79982%0.82SS**  trans-110.8161.4-130.138-31.3000113.8
286G46.8Very low41.5Very low87 Ų87148.4 Ų148.490%0.89782%0.819SS**  trans74.994.3151.900000115.7
287G36.6Very low42.4Very low72 Ų72152.2 Ų152.274%0.74282%0.82SS**  trans-139.5116.5160.600000108
288D36.4Very low43Very low160 Ų160156 Ų15686%0.85682%0.822SS**  trans-50.6138-179.3-59.1-70.9000112.2L290D288-L290 PolarHBondContact O-N 3.08Å
289C33.8Very low43.6Very low135 Ų135149.5 Ų149.591%0.91282%0.816SS**  trans-62.193.5172.6-69.60000110.1
290L46.6Very low44.6Very low156 Ų156150.1 Ų150.182%0.81782%0.817SS**  trans-67.4136.4160.4-93151.1000108.9D288 E292D288-L290 PolarHBondContact O-N 3.08Å; L290-E292 PolarHBondContact O-N 2.94Å
291P49.3Very low45.2Very low113 Ų113153.8 Ų153.873%0.73482%0.824SS**  trans-59.5127.9174.3-16.128.2000109.4E293P291-E293 PolarHBondContact O-N 3.16Å
292E44.6Very low46.1Very low170 Ų170150.2 Ų150.279%0.79482%0.819SS**  trans-53.7108.4169.8-81.5-103.1136.200109.1L290L290-E292 PolarHBondContact O-N 2.94Å
293E45.1Very low46.3Very low171 Ų171152 Ų15280%0.79981%0.814SS**  trans-51.9126.1168.3-77.6-92.1132.100108.9P291 K295P291-E293 PolarHBondContact O-N 3.16Å; E293-K295 PolarHBondContact O-N 3.14Å
294P53.8Low47Very low117 Ų117148.8 Ų148.876%0.7681%0.807SS**  trans-62.7110.8179.723.7-31.4000109.3P296P294-P296 VanDerWaalsContact O-N 3.14Å
295K47Very low48.2Very low174 Ų174154.1 Ų154.176%0.75781%0.809SS**  trans-42.3122.3176.1-68.9175.4-176.8169.80109.3E293 K297E293-K295 PolarHBondContact O-N 3.14Å; K295-K297 PolarHBondContact O-N 2.78Å
296P48Very low48.8Very low118 Ų118157.2 Ų157.277%0.76681%0.809SS**  trans-60.8114.5-179.822.4-31.3000107.7P294 R298P294-P296 VanDerWaalsContact O-N 3.14Å; P296-R298 PolarHBondContact O-N 3.43Å
297K53.3Low50Low205 Ų205162.2 Ų162.289%0.89180%0.801SS**  trans-52.6105.6169.3-68.7179.3-179.2175.60105.5K295 G299K295-K297 PolarHBondContact O-N 2.78Å; K297-G299 PolarHBondContact O-N 2.96Å
298R49.8Very low52.1Low247 Ų247164.9 Ų164.993%0.93280%0.797SS**  trans-60.394170.5-73.4-175.5-167.9-125.11105.5P296 R300P296-R298 PolarHBondContact O-N 3.43Å; R298-R300 PolarHBondContact O-N 2.85Å
299G48.3Very low54.4Low58 Ų58159.2 Ų159.260%0.59877%0.773SS**  trans-53.3126.8176.400000106.9K297 R301K297-G299 PolarHBondContact O-N 2.96Å; G299-R301 VanDerWaalsContact C-N 3.31Å; G299-R301 PolarHBondContact O-N 2.91Å
300R53.4Low56.9Low240 Ų240157.2 Ų157.291%0.90676%0.756SS**  trans-51.3108.3160.8-97.3-175.7174-92.60.9104.9R298 S302R298-R300 PolarHBondContact O-N 2.85Å; R300-S302 PolarHBondContact O-N 2.61Å
301R52.4Low59Low224 Ų224152.7 Ų152.785%0.84573%0.731SS**  trans-64.684.4168.4-75.7-174.2-74.9-113.12.1106.5G299 W303G299-R301 VanDerWaalsContact C-N 3.31Å; G299-R301 PolarHBondContact O-N 2.91Å; R301-W303 PolarHBondContact O-N 2.89Å
302S55.4Low61Low105 Ų105150.8 Ų150.873%0.73472%0.717SS**  trans-76.965.6166.562.40000107.4R300 P304R300-S302 PolarHBondContact O-N 2.61Å; S302-P304 VanDerWaalsContact O-CD 3.3Å; S302-P304 WeakPolarHBondContact O-CD 3.41Å
303W44.1Very low63.3Low213 Ų213143 Ų14381%0.80768%0.682SS**  trans-70.5120.1161-85.659.7000106.2R301 R305R301-W303 PolarHBondContact O-N 2.89Å; W303-R305 PolarHBondContact O-N 3.02Å
304P52.3Low65.5Low117 Ų117141.5 Ų141.576%0.7668%0.679SS**  trans-68.289.5169.829-30.6000106.2S302 K306S302-P304 VanDerWaalsContact O-CD 3.3Å; S302-P304 WeakPolarHBondContact O-CD 3.41Å; P304-K306 PolarHBondContact O-N 2.94Å
305R62.3Low67.2Low232 Ų232142 Ų14288%0.87567%0.667SS**  trans-6295.1158.8-89.6-170.9-174.5-138.51.4104.8W303 R307W303-R305 PolarHBondContact O-N 3.02Å; R305-R307 VanDerWaalsContact C-N 3.34Å; R305-R307 PolarHBondContact O-N 3.47Å
306K66.3Low69.3Low188 Ų188138 Ų13882%0.81767%0.666SS**  trans-48.1111.7159.6-85.3-179.5179.4176.40104.2P304 I308P304-K306 PolarHBondContact O-N 2.94Å; K306-I308 PolarHBondContact O-N 2.72Å
307R70.7Confident71.1Confident192 Ų192136.9 Ų136.973%0.72568%0.675SS**  trans-74.589.2-175.9-138.7-173.6-62-156.12.7104.2R305 A309 T323R305-R307 VanDerWaalsContact C-N 3.34Å; R305-R307 PolarHBondContact O-N 3.47Å; R307-A309 PolarHBondContact O-N 3.46Å; R307-T323 HydrophobicContact CB-CG2 3.83Å; R307-T323 HydrophobicContact CG-CG2 3.88Å; R307-T323 VanDerWaalsContact O-CG2 3.28Å; R307-T323 WeakPolarHBondContact O-CG2 3.37Å
308I81.5Confident72.9Confident127 Ų127128.3 Ų128.365%0.65164%0.641SS**  trans-64.7122-176.5-58.9171.2000106.6K306 T310K306-I308 PolarHBondContact O-N 2.72Å; I308-T310 HydrophobicContact CB-CG2 4.39Å; I308-T310 HydrophobicContact CG2-CG2 3.84Å; I308-T310 PolarHBondContact O-N 3.02Å
309A84.1Confident74.6Confident42 Ų42119.5 Ų119.535%0.34763%0.627SS.*  trans-80.198.7175.100000108.1R307 Y322 T323R307-A309 PolarHBondContact O-N 3.46Å; A309-Y322 CarbonylContact C-O 3.48Å; A309-Y322 WeakPolarHBondContact CA-O 3.48Å; A309-T323 HydrophobicContact CB-CG2 4.06Å
310T87Confident76.7Confident92 Ų92122 Ų12256%0.56462%0.621SS**  trans-95.9-11.8-176.951.60000113.2I308 Y322I308-T310 HydrophobicContact CB-CG2 4.39Å; I308-T310 HydrophobicContact CG2-CG2 3.84Å; I308-T310 PolarHBondContact O-N 3.02Å; T310-Y322 PolarHBondContact N-O 3.26Å; T310-Y322 VanDerWaalsContact N-O 3.16Å
311H89.6Confident78.5Confident62 Ų62114.1 Ų114.129%0.28760%0.6SS.*EExtended strand (participates in β ladder)trans-106.598.9-173.7-61.7-68.1000110.5T321 Y322 S325 L328H311-T321 CarbonylContact O-C 3.53Å; H311-T321 VanDerWaalsContact O-CA 3.32Å; H311-T321 WeakPolarHBondContact O-CA 3.33Å; H311-Y322 WeakPolarHBondContact CB-O 3.35Å; H311-Y322 PolarHBondContact N-O 2.83Å; H311-Y322 PolarHBondContact O-N 3.4Å; H311-S325 PolarHBondContact CD2-N 3.5Å; H311-S325 PolarHBondContact NE2-N 3.2Å; H311-L328 HydrophobicContact CB-CB 4.03Å; H311-L328 HydrophobicContact CB-CD2 3.87Å; H311-L328 HydrophobicContact CB-CG 4.45Å
312T91.1Very high80.4Confident73 Ų73105.9 Ų105.945%0.44857%0.569SS.*EExtended strand (participates in β ladder)trans-85.1147.6176.247.40000111.1K320 T321 L328T312-K320 CarbonylContact C-O 3.57Å; T312-K320 WeakPolarHBondContact CA-O 3.16Å; T312-T321 HydrophobicContact CG2-CG2 3.41Å; T312-T321 VanDerWaalsContact CG2-CG2 3.41Å; T312-L328 WeakPolarHBondContact O-CD1 3.09Å; T312-L328 WeakPolarHBondContact O-CD2 3.05Å
313C93.4Very high82.1Confident7 Ų7103 Ų1035%0.04755%0.548CS..  trans-86.9123.7169.2-174.20000110.2Y315 C318 K320 L328 H331C313-Y315 VanDerWaalsContact C-N 3.28Å; C313-Y315 PolarHBondContact O-N 2.62Å; C313-C318 HydrophobicContact CB-CB 4.42Å; C313-K320 PolarHBondContact N-O 3.33Å; C313-L328 HydrophobicContact CB-CD1 3.8Å; C313-H331 PolarHBondContact SG-NE2 2.69Å
314D90.7Very high84.3Confident138 Ų13897.8 Ų97.874%0.73853%0.531SS*.  trans-87.83.1-176.7-53.4-34.3000112.6
315Y90Very high86.1Confident129 Ų12995.9 Ų95.951%0.50652%0.52SS..SBendtrans-67.3135.4177.1-166.9-92.1000111C313 G317 C318 H335C313-Y315 VanDerWaalsContact C-N 3.28Å; C313-Y315 PolarHBondContact O-N 2.62Å; Y315-G317 PolarHBondContact O-N 3Å; Y315-G317 VanDerWaalsContact O-N 3.15Å; Y315-C318 HydrophobicContact CD1-CB 4.48Å; Y315-C318 WeakPolarHBondContact O-CB 3.35Å; Y315-C318 PolarHBondContact O-N 3.33Å; Y315-H335 HydrophobicContact CD1-CB 4.43Å; Y315-H335 AromaticContact CD1-CE1 3.32Å; Y315-H335 WeakPolarHBondContact CD1-CE1 3.31Å; Y315-H335 AromaticContact CD1-CG 3.72Å; Y315-H335 AromaticContact CD1-ND1 3.12Å; Y315-H335 WeakPolarHBondContact CD1-ND1 3.49Å; Y315-H335 HydrophobicContact CD2-CB 3.56Å; Y315-H335 AromaticContact CD2-CG 3.61Å; Y315-H335 AromaticContact CD2-ND1 3.86Å; Y315-H335 AromaticContact CE1-CE1 3.92Å; Y315-H335 AromaticContact CE1-ND1 3.35Å; Y315-H335 VanDerWaalsContact CE1-ND1 3.35Å; Y315-H335 WeakPolarHBondContact CE1-ND1 3.26Å; Y315-H335 HydrophobicContact CE2-CB 3.67Å; Y315-H335 HydrophobicContact CG-CB 3.95Å; Y315-H335 AromaticContact CG-CD2 3.76Å; Y315-H335 AromaticContact CG-CE1 3.66Å; Y315-H335 AromaticContact CG-CG 3.43Å; Y315-H335 VanDerWaalsContact CG-CG 3.43Å; Y315-H335 AromaticContact CG-ND1 3.37Å; Y315-H335 AromaticContact CG-NE2 3.92Å; Y315-H335 AromaticContact CZ-ND1 3.82Å
316A91Very high87.3Confident90 Ų9088 Ų8874%0.74450%0.501SS*.THydrogen-bonded Turntrans-53.1120-176.600000111.4C318A316-C318 VanDerWaalsContact C-N 3.34Å; A316-C318 PolarHBondContact O-N 3.4Å
317G87.3Confident88.4Confident93 Ų9383 Ų8396%0.95948%0.48SS*.THydrogen-bonded Turntrans77.36179.100000116.2Y315Y315-G317 PolarHBondContact O-N 3Å; Y315-G317 VanDerWaalsContact O-N 3.15Å
318C89.7Confident89.3Confident26 Ų2675 Ų7518%0.17645%0.451CS..THydrogen-bonded Turntrans-87.9-56.9-179.7-171.50000113.5C313 Y315 A316 K320 H331 H335C313-C318 HydrophobicContact CB-CB 4.42Å; Y315-C318 HydrophobicContact CD1-CB 4.48Å; Y315-C318 WeakPolarHBondContact O-CB 3.35Å; Y315-C318 PolarHBondContact O-N 3.33Å; A316-C318 VanDerWaalsContact C-N 3.34Å; A316-C318 PolarHBondContact O-N 3.4Å; C318-K320 PolarHBondContact O-N 3.2Å; C318-H331 VanDerWaalsContact SG-CE1 3.52Å; C318-H331 PolarHBondContact SG-NE2 3.08Å; C318-H335 PolarHBondContact SG-NE2 2.88Å
319G87.1Confident89.6Confident61 Ų6175.6 Ų75.663%0.62945%0.449SS*.  trans608.1176.800000116.5
320K90.8Very high89.7Confident110 Ų11074.4 Ų74.448%0.47844%0.439SS..  trans-70.8140-177.2-69.9178.2-171.7172.70111.4T312 C313 C318 Y322T312-K320 CarbonylContact C-O 3.57Å; T312-K320 WeakPolarHBondContact CA-O 3.16Å; C313-K320 PolarHBondContact N-O 3.33Å; C318-K320 PolarHBondContact O-N 3.2Å; K320-Y322 HydrophobicContact CB-CE2 3.75Å
321T92.3Very high89.7Confident76 Ų7670.7 Ų70.747%0.46642%0.415SS..EExtended strand (participates in β ladder)trans-120.2144-178.4660000112.6H311 T312H311-T321 CarbonylContact O-C 3.53Å; H311-T321 VanDerWaalsContact O-CA 3.32Å; H311-T321 WeakPolarHBondContact O-CA 3.33Å; T312-T321 HydrophobicContact CG2-CG2 3.41Å; T312-T321 VanDerWaalsContact CG2-CG2 3.41Å
322Y91.8Very high89.5Confident51 Ų5171 Ų7120%0.242%0.417CS..EExtended strand (participates in β ladder)trans-132.1148.9-173-59.9-87.9000110.9A309 T310 H311 K320 H327 L328 H331A309-Y322 CarbonylContact C-O 3.48Å; A309-Y322 WeakPolarHBondContact CA-O 3.48Å; T310-Y322 PolarHBondContact N-O 3.26Å; T310-Y322 VanDerWaalsContact N-O 3.16Å; H311-Y322 WeakPolarHBondContact CB-O 3.35Å; H311-Y322 PolarHBondContact N-O 2.83Å; H311-Y322 PolarHBondContact O-N 3.4Å; K320-Y322 HydrophobicContact CB-CE2 3.75Å; Y322-H327 HydrophobicContact CD1-CB 3.63Å; Y322-H327 HydrophobicContact CE1-CB 4.45Å; Y322-H327 HydrophobicContact CG-CB 4.1Å; Y322-L328 HydrophobicContact CD2-CB 4.04Å; Y322-L328 HydrophobicContact CD2-CD1 3.63Å; Y322-L328 HydrophobicContact CD2-CG 4.49Å; Y322-L328 HydrophobicContact CE2-CD1 3.99Å; Y322-L328 HydrophobicContact CG-CB 4.36Å; Y322-H331 HydrophobicContact CE1-CB 4.18Å; Y322-H331 HydrophobicContact CE2-CB 3.84Å; Y322-H331 AromaticContact CE2-CD2 3.31Å; Y322-H331 WeakPolarHBondContact CE2-CD2 3.45Å; Y322-H331 AromaticContact CE2-CG 3.7Å; Y322-H331 AromaticContact CZ-CD2 3.59Å; Y322-H331 AromaticContact CZ-CG 3.49Å; Y322-H331 VanDerWaalsContact CZ-CG 3.49Å; Y322-H331 WeakPolarHBondContact OH-CB 3.24Å; Y322-H331 PolarHBondContact OH-CD2 3.06Å; Y322-H331 VanDerWaalsContact OH-CD2 3.22Å; Y322-H331 PolarHBondContact OH-ND1 2.91Å
323T91.6Very high89.4Confident45 Ų4569.4 Ų69.428%0.27640%0.403SS..SBendtrans-85.4-13.3178.254.20000113.3R307 A309R307-T323 HydrophobicContact CB-CG2 3.83Å; R307-T323 HydrophobicContact CG-CG2 3.88Å; R307-T323 VanDerWaalsContact O-CG2 3.28Å; R307-T323 WeakPolarHBondContact O-CG2 3.37Å; A309-T323 HydrophobicContact CB-CG2 4.06Å
324K89.4Confident88.9Confident103 Ų10373.6 Ų73.645%0.44843%0.428SS..SBendtrans-133.1137.6179.5-63.4-175.4179-177.50109.4S326 H327 L328K324-S326 PolarHBondContact O-N 2.87Å; K324-H327 PolarHBondContact O-N 3.4Å; K324-H327 VanDerWaalsContact O-N 3.13Å; K324-L328 PolarHBondContact O-N 3.49Å
325S89.8Confident88.6Confident76 Ų7669.5 Ų69.553%0.53140%0.404SS..Hα-helixtrans-59.1-34.1173.957.30000112.3H311 H327 L328 K329H311-S325 PolarHBondContact CD2-N 3.5Å; H311-S325 PolarHBondContact NE2-N 3.2Å; S325-H327 VanDerWaalsContact C-N 3.31Å; S325-H327 PolarHBondContact O-N 3.36Å; S325-L328 PolarHBondContact O-N 3.19Å; S325-K329 PolarHBondContact O-N 3.13Å
326S88Confident88.3Confident68 Ų6867.5 Ų67.548%0.47641%0.406SS..Hα-helixtrans-62.6-35.6176.459.90000113.1K324 A330K324-S326 PolarHBondContact O-N 2.87Å; S326-A330 WeakPolarHBondContact O-CB 3.32Å; S326-A330 PolarHBondContact O-N 3.39Å
327H89.2Confident88Confident83 Ų8365.6 Ų65.638%0.38440%0.395SS..Hα-helixtrans-72.6-38.7175.8-63.9174.8000111.5Y322 K324 S325 A330 H331Y322-H327 HydrophobicContact CD1-CB 3.63Å; Y322-H327 HydrophobicContact CE1-CB 4.45Å; Y322-H327 HydrophobicContact CG-CB 4.1Å; K324-H327 PolarHBondContact O-N 3.4Å; K324-H327 VanDerWaalsContact O-N 3.13Å; S325-H327 VanDerWaalsContact C-N 3.31Å; S325-H327 PolarHBondContact O-N 3.36Å; H327-A330 PolarHBondContact O-N 3.36Å; H327-H331 VanDerWaalsContact O-CB 3.3Å; H327-H331 WeakPolarHBondContact O-CB 3.21Å; H327-H331 PolarHBondContact O-N 3.3Å
328L90.7Very high87.8Confident23 Ų2364.5 Ų64.512%0.1237%0.365CS..Hα-helixtrans-61.2-46.9172.818068.5000110.8H311 T312 C313 Y322 K324 S325 A330 H331 H332H311-L328 HydrophobicContact CB-CB 4.03Å; H311-L328 HydrophobicContact CB-CD2 3.87Å; H311-L328 HydrophobicContact CB-CG 4.45Å; T312-L328 WeakPolarHBondContact O-CD1 3.09Å; T312-L328 WeakPolarHBondContact O-CD2 3.05Å; C313-L328 HydrophobicContact CB-CD1 3.8Å; Y322-L328 HydrophobicContact CD2-CB 4.04Å; Y322-L328 HydrophobicContact CD2-CD1 3.63Å; Y322-L328 HydrophobicContact CD2-CG 4.49Å; Y322-L328 HydrophobicContact CE2-CD1 3.99Å; Y322-L328 HydrophobicContact CG-CB 4.36Å; K324-L328 PolarHBondContact O-N 3.49Å; S325-L328 PolarHBondContact O-N 3.19Å; L328-A330 PolarHBondContact O-N 2.81Å; L328-H331 CarbonylContact O-C 3.6Å; L328-H331 WeakPolarHBondContact O-CA 3.41Å; L328-H331 WeakPolarHBondContact O-CB 3.48Å; L328-H331 PolarHBondContact O-N 3.32Å; L328-H331 VanDerWaalsContact O-N 3.09Å; L328-H332 VanDerWaalsContact CD1-NE2 3.27Å; L328-H332 WeakPolarHBondContact CD1-NE2 3.48Å; L328-H332 WeakPolarHBondContact CG-NE2 3.16Å; L328-H332 PolarHBondContact O-CD2 3.5Å; L328-H332 PolarHBondContact O-N 3.26Å
329K86.6Confident87.7Confident140 Ų14068.9 Ų68.961%0.60938%0.381SS*.Hα-helixtrans-60.9-43177.2-173.3173.3-175.3174.50112.2S325 H331 H332S325-K329 PolarHBondContact O-N 3.13Å; K329-H331 VanDerWaalsContact C-N 3.29Å; K329-H331 PolarHBondContact O-N 2.78Å; K329-H332 PolarHBondContact O-N 2.87Å
330A85.8Confident87.6Confident17 Ų1769 Ų6914%0.1437%0.37CS..Hα-helixtrans-64.3-36.4174.300000112S326 H327 L328 R333 R354S326-A330 WeakPolarHBondContact O-CB 3.32Å; S326-A330 PolarHBondContact O-N 3.39Å; H327-A330 PolarHBondContact O-N 3.36Å; L328-A330 PolarHBondContact O-N 2.81Å; A330-R333 WeakPolarHBondContact O-CB 3.23Å; A330-R333 PolarHBondContact O-N 2.98Å; A330-R354 HydrophobicContact CB-CG 4.29Å
331H87.5Confident87.5Confident13 Ų1366.5 Ų66.56%0.0636%0.358CS..Hα-helixtrans-68.8-37.2174.6169.149.3000112.7C313 C318 Y322 H327 L328 K329 R333 T334 H335C313-H331 PolarHBondContact SG-NE2 2.69Å; C318-H331 VanDerWaalsContact SG-CE1 3.52Å; C318-H331 PolarHBondContact SG-NE2 3.08Å; Y322-H331 HydrophobicContact CE1-CB 4.18Å; Y322-H331 HydrophobicContact CE2-CB 3.84Å; Y322-H331 AromaticContact CE2-CD2 3.31Å; Y322-H331 WeakPolarHBondContact CE2-CD2 3.45Å; Y322-H331 AromaticContact CE2-CG 3.7Å; Y322-H331 AromaticContact CZ-CD2 3.59Å; Y322-H331 AromaticContact CZ-CG 3.49Å; Y322-H331 VanDerWaalsContact CZ-CG 3.49Å; Y322-H331 WeakPolarHBondContact OH-CB 3.24Å; Y322-H331 PolarHBondContact OH-CD2 3.06Å; Y322-H331 VanDerWaalsContact OH-CD2 3.22Å; Y322-H331 PolarHBondContact OH-ND1 2.91Å; H327-H331 VanDerWaalsContact O-CB 3.3Å; H327-H331 WeakPolarHBondContact O-CB 3.21Å; H327-H331 PolarHBondContact O-N 3.3Å; L328-H331 CarbonylContact O-C 3.6Å; L328-H331 WeakPolarHBondContact O-CA 3.41Å; L328-H331 WeakPolarHBondContact O-CB 3.48Å; L328-H331 PolarHBondContact O-N 3.32Å; L328-H331 VanDerWaalsContact O-N 3.09Å; K329-H331 VanDerWaalsContact C-N 3.29Å; K329-H331 PolarHBondContact O-N 2.78Å; H331-R333 PolarHBondContact O-N 2.91Å; H331-R333 VanDerWaalsContact O-N 3.1Å; H331-T334 PolarHBondContact CE1-OG1 3.23Å; H331-T334 PolarHBondContact ND1-OG1 2.78Å; H331-T334 VanDerWaalsContact ND1-OG1 3.17Å; H331-T334 WeakPolarHBondContact O-CB 3.2Å; H331-T334 PolarHBondContact O-N 2.78Å; H331-T334 PolarHBondContact O-OG1 2.89Å; H331-H335 AromaticContact CE1-CD2 3.87Å; H331-H335 AromaticContact CE1-NE2 3.26Å; H331-H335 PolarHBondContact CE1-NE2 2.67Å; H331-H335 VanDerWaalsContact CE1-NE2 3.26Å; H331-H335 AromaticContact NE2-CD2 3.91Å; H331-H335 AromaticContact NE2-NE2 3.31Å; H331-H335 PolarHBondContact NE2-NE2 2.81Å
332H86.8Confident87.4Confident69 Ų6964.1 Ų64.132%0.31935%0.345SS..Hα-helixtrans-56.9-30.4176.7-72.5-169.3000112.4L328 K329 T334 H335 T336L328-H332 VanDerWaalsContact CD1-NE2 3.27Å; L328-H332 WeakPolarHBondContact CD1-NE2 3.48Å; L328-H332 WeakPolarHBondContact CG-NE2 3.16Å; L328-H332 PolarHBondContact O-CD2 3.5Å; L328-H332 PolarHBondContact O-N 3.26Å; K329-H332 PolarHBondContact O-N 2.87Å; H332-T334 PolarHBondContact O-N 2.98Å; H332-H335 WeakPolarHBondContact O-CB 3.41Å; H332-H335 PolarHBondContact O-N 2.86Å; H332-T336 PolarHBondContact O-N 2.73Å; H332-T336 VanDerWaalsContact O-N 3.12Å; H332-T336 PolarHBondContact O-OG1 3.43Å
333R87.1Confident87.4Confident40 Ų4062.1 Ų62.115%0.15134%0.338CS..Hα-helixtrans-61.5-22.5173.4-61.1-173-177.71102.3114.1A330 H331 H335 T336 G337 E338 A353A330-R333 WeakPolarHBondContact O-CB 3.23Å; A330-R333 PolarHBondContact O-N 2.98Å; H331-R333 PolarHBondContact O-N 2.91Å; H331-R333 VanDerWaalsContact O-N 3.1Å; R333-H335 VanDerWaalsContact C-N 3.25Å; R333-H335 PolarHBondContact O-N 2.8Å; R333-T336 WeakPolarHBondContact CA-OG1 3.48Å; R333-G337 VanDerWaalsContact O-CA 3.31Å; R333-G337 WeakPolarHBondContact O-CA 3.32Å; R333-G337 PolarHBondContact O-N 3.34Å; R333-E338 HydrophobicContact CB-CB 4.38Å; R333-E338 WeakPolarHBondContact CB-O 3.49Å; R333-E338 HydrophobicContact CG-CB 4.19Å; R333-E338 PolarHBondContact O-N 3.12Å; R333-A353 HydrophobicContact CB-CB 4.11Å; R333-A353 WeakPolarHBondContact CD-O 3.35Å; R333-A353 PolarHBondContact NH1-O 3.33Å
334T84.3Confident87.3Confident94 Ų9465.8 Ų65.858%0.57736%0.356SS*.Hα-helixtrans-73.4-21.3173.869.90000112.6H331 H332H331-T334 PolarHBondContact CE1-OG1 3.23Å; H331-T334 PolarHBondContact ND1-OG1 2.78Å; H331-T334 VanDerWaalsContact ND1-OG1 3.17Å; H331-T334 WeakPolarHBondContact O-CB 3.2Å; H331-T334 PolarHBondContact O-N 2.78Å; H331-T334 PolarHBondContact O-OG1 2.89Å; H332-T334 PolarHBondContact O-N 2.98Å
335H84.9Confident87.2Confident52 Ų5266.5 Ų66.524%0.24136%0.356CS..Hα-helixtrans-89.8-39.8176.1-67.6-60.4000112Y315 C318 H331 H332 R333Y315-H335 HydrophobicContact CD1-CB 4.43Å; Y315-H335 AromaticContact CD1-CE1 3.32Å; Y315-H335 WeakPolarHBondContact CD1-CE1 3.31Å; Y315-H335 AromaticContact CD1-CG 3.72Å; Y315-H335 AromaticContact CD1-ND1 3.12Å; Y315-H335 WeakPolarHBondContact CD1-ND1 3.49Å; Y315-H335 HydrophobicContact CD2-CB 3.56Å; Y315-H335 AromaticContact CD2-CG 3.61Å; Y315-H335 AromaticContact CD2-ND1 3.86Å; Y315-H335 AromaticContact CE1-CE1 3.92Å; Y315-H335 AromaticContact CE1-ND1 3.35Å; Y315-H335 VanDerWaalsContact CE1-ND1 3.35Å; Y315-H335 WeakPolarHBondContact CE1-ND1 3.26Å; Y315-H335 HydrophobicContact CE2-CB 3.67Å; Y315-H335 HydrophobicContact CG-CB 3.95Å; Y315-H335 AromaticContact CG-CD2 3.76Å; Y315-H335 AromaticContact CG-CE1 3.66Å; Y315-H335 AromaticContact CG-CG 3.43Å; Y315-H335 VanDerWaalsContact CG-CG 3.43Å; Y315-H335 AromaticContact CG-ND1 3.37Å; Y315-H335 AromaticContact CG-NE2 3.92Å; Y315-H335 AromaticContact CZ-ND1 3.82Å; C318-H335 PolarHBondContact SG-NE2 2.88Å; H331-H335 AromaticContact CE1-CD2 3.87Å; H331-H335 AromaticContact CE1-NE2 3.26Å; H331-H335 PolarHBondContact CE1-NE2 2.67Å; H331-H335 VanDerWaalsContact CE1-NE2 3.26Å; H331-H335 AromaticContact NE2-CD2 3.91Å; H331-H335 AromaticContact NE2-NE2 3.31Å; H331-H335 PolarHBondContact NE2-NE2 2.81Å; H332-H335 WeakPolarHBondContact O-CB 3.41Å; H332-H335 PolarHBondContact O-N 2.86Å; R333-H335 VanDerWaalsContact C-N 3.25Å; R333-H335 PolarHBondContact O-N 2.8Å
336T83.2Confident87.2Confident88 Ų8871.2 Ų71.254%0.5437%0.369SS..Hα-helixtrans-83.8-15.4179.358.20000113.2H332 R333 E338H332-T336 PolarHBondContact O-N 2.73Å; H332-T336 VanDerWaalsContact O-N 3.12Å; H332-T336 PolarHBondContact O-OG1 3.43Å; R333-T336 WeakPolarHBondContact CA-OG1 3.48Å; T336-E338 PolarHBondContact O-N 3.27Å; T336-E338 WeakPolarHBondContact OG1-CG 3.37Å
337G83.7Confident87Confident50 Ų5071.3 Ų71.352%0.51538%0.381SS..  trans71.79.1-174.900000113.8R333 K339R333-G337 VanDerWaalsContact O-CA 3.31Å; R333-G337 WeakPolarHBondContact O-CA 3.32Å; R333-G337 PolarHBondContact O-N 3.34Å; G337-K339 PolarHBondContact O-N 3.42Å
338E83.9Confident86.9Confident69 Ų6967.8 Ų67.832%0.32237%0.365SS..  trans-64.3123.3-179.2-75.4177.3-17200111.7I190 R333 T336 P340I190-E338 HydrophobicContact CD1-CG 4.29Å; R333-E338 HydrophobicContact CB-CB 4.38Å; R333-E338 WeakPolarHBondContact CB-O 3.49Å; R333-E338 HydrophobicContact CG-CB 4.19Å; R333-E338 PolarHBondContact O-N 3.12Å; T336-E338 PolarHBondContact O-N 3.27Å; T336-E338 WeakPolarHBondContact OG1-CG 3.37Å; E338-P340 WeakPolarHBondContact O-CD 3.23Å
339K86.9Confident86.7Confident119 Ų11969.6 Ų69.652%0.51739%0.389SS..  trans-123.880.4177.9-68.5169.6169.6-1640109.6G337 Y341 K351 F352G337-K339 PolarHBondContact O-N 3.42Å; K339-Y341 PolarHBondContact O-N 2.82Å; K339-K351 HydrophobicContact CB-CB 3.61Å; K339-K351 HydrophobicContact CD-CB 4.07Å; K339-K351 WeakPolarHBondContact CD-O 3.33Å; K339-K351 HydrophobicContact CG-CB 4.44Å; K339-F352 CarbonylContact C-O 3.34Å; K339-F352 VanDerWaalsContact C-O 3.29Å; K339-F352 VanDerWaalsContact CA-O 3.23Å; K339-F352 WeakPolarHBondContact CA-O 3.29Å
340P86.1Confident86.6Confident62 Ų6267.4 Ų67.440%0.40338%0.378SS..  trans-75.2-9.9-174.429.1-33.5000113.5E338E338-P340 WeakPolarHBondContact O-CD 3.23Å
341Y88.8Confident86.8Confident59 Ų5971.4 Ų71.423%0.23139%0.392CS..EExtended strand (participates in β ladder)trans-105.3106.3-176.6-58.5-78.6000110.1K339 K351 F352 A353 R354K339-Y341 PolarHBondContact O-N 2.82Å; Y341-K351 CarbonylContact O-C 3.46Å; Y341-K351 WeakPolarHBondContact O-CA 3.49Å; Y341-F352 WeakPolarHBondContact CB-O 3.48Å; Y341-F352 PolarHBondContact N-O 2.96Å; Y341-F352 VanDerWaalsContact N-O 3.11Å; Y341-F352 PolarHBondContact O-N 3.48Å; Y341-A353 WeakPolarHBondContact CE2-O 3.37Å; Y341-R354 VanDerWaalsContact CD2-CA 3.5Å
342C89.2Confident86.8Confident26 Ų2672.1 Ų72.118%0.17640%0.395CS..EExtended strand (participates in β ladder)trans-95.6149.1179.2-60.60000111C188 K351 L358C188-C342 VanDerWaalsContact SG-SG 3.62Å; C342-K351 HydrophobicContact CB-CG 4.45Å; C342-L358 WeakPolarHBondContact O-CD1 3.26Å; C342-L358 VanDerWaalsContact O-CD2 3.24Å; C342-L358 WeakPolarHBondContact O-CD2 3.49Å
343C91.8Very high86.8Confident8 Ų869.7 Ų69.75%0.05439%0.386CS..  trans-85.7118.3167.1-170.50000109.3W345 C348 W350 L358 H361 H365C343-W345 PolarHBondContact O-N 2.78Å; C343-W345 VanDerWaalsContact SG-CB 3.56Å; C343-C348 HydrophobicContact CB-CB 4.49Å; C343-W350 HydrophobicContact CB-CB 4.41Å; C343-W350 PolarHBondContact N-O 3.1Å; C343-L358 HydrophobicContact CB-CD1 3.93Å; C343-H361 PolarHBondContact SG-CD2 3.32Å; C343-H361 PolarHBondContact SG-NE2 3.18Å; C343-H361 VanDerWaalsContact SG-NE2 3.36Å; C343-H365 PolarHBondContact SG-NE2 3.37Å; C343-H365 VanDerWaalsContact SG-NE2 3.39Å
344D89.9Confident86.8Confident122 Ų12272.6 Ų72.665%0.65240%0.397SS*.  trans-84.611.7178.2-50.3-33000112.2Y362D344-Y362 VanDerWaalsContact CB-OH 3.3Å; D344-Y362 WeakPolarHBondContact CB-OH 3.21Å; D344-Y362 PolarHBondContact N-OH 3.09Å; D344-Y362 PolarHBondContact OD2-OH 3.18Å
345W87.9Confident87Confident119 Ų11970.9 Ų70.945%0.45139%0.389SS..SBendtrans-74.8128.7173.6-166.9-82.7000110.1C343 G347 C348 H365 T366C343-W345 PolarHBondContact O-N 2.78Å; C343-W345 VanDerWaalsContact SG-CB 3.56Å; W345-G347 PolarHBondContact O-N 3.03Å; W345-C348 HydrophobicContact CB-CB 3.99Å; W345-C348 WeakPolarHBondContact O-CB 3.2Å; W345-C348 PolarHBondContact O-N 3.42Å; W345-H365 AromaticContact CD1-CE1 3.54Å; W345-H365 AromaticContact CD1-CG 3.94Å; W345-H365 AromaticContact CD1-ND1 3.41Å; W345-H365 HydrophobicContact CD2-CB 3.43Å; W345-H365 VanDerWaalsContact CD2-CB 3.43Å; W345-H365 AromaticContact CD2-CD2 3.91Å; W345-H365 AromaticContact CD2-CG 3.4Å; W345-H365 AromaticContact CD2-ND1 3.66Å; W345-H365 AromaticContact CE2-CG 3.82Å; W345-H365 AromaticContact CE2-ND1 3.73Å; W345-H365 HydrophobicContact CE3-CB 3.36Å; W345-H365 AromaticContact CE3-CG 3.77Å; W345-H365 HydrophobicContact CG-CB 4.09Å; W345-H365 AromaticContact CG-CD2 3.64Å; W345-H365 AromaticContact CG-CE1 3.59Å; W345-H365 AromaticContact CG-CG 3.48Å; W345-H365 VanDerWaalsContact CG-CG 3.48Å; W345-H365 AromaticContact CG-ND1 3.44Å; W345-H365 AromaticContact CG-NE2 3.74Å; W345-H365 HydrophobicContact CH2-CB 3.81Å; W345-H365 HydrophobicContact CZ2-CB 3.9Å; W345-H365 HydrophobicContact CZ3-CB 3.55Å; W345-H365 AromaticContact NE1-ND1 3.59Å; W345-T366 HydrophobicContact CZ3-CG2 4.3Å
346E88.6Confident87Confident175 Ų17572.1 Ų72.182%0.81840%0.397SS*.THydrogen-bonded Turntrans-52.8127.7-178.4-67.3-61.215300111.8C348E346-C348 VanDerWaalsContact C-N 3.26Å; E346-C348 PolarHBondContact O-N 3.11Å
347G84.4Confident87.3Confident69 Ų6970.3 Ų70.371%0.71138%0.383SS*.THydrogen-bonded Turntrans76.4-3.2-178.500000116.1L62 W345L62-G347 WeakPolarHBondContact CD1-O 3.36Å; W345-G347 PolarHBondContact O-N 3.03Å
348C86.3Confident87.6Confident9 Ų968.9 Ų68.96%0.06136%0.363CS..THydrogen-bonded Turntrans-82.3-56.4-177.3-170.10000112.5C343 W345 E346 W350 H361 H365C343-C348 HydrophobicContact CB-CB 4.49Å; W345-C348 HydrophobicContact CB-CB 3.99Å; W345-C348 WeakPolarHBondContact O-CB 3.2Å; W345-C348 PolarHBondContact O-N 3.42Å; E346-C348 VanDerWaalsContact C-N 3.26Å; E346-C348 PolarHBondContact O-N 3.11Å; C348-W350 PolarHBondContact O-N 2.73Å; C348-H361 PolarHBondContact SG-CE1 2.93Å; C348-H361 PolarHBondContact SG-NE2 2.86Å; C348-H365 PolarHBondContact SG-CE1 3.44Å; C348-H365 PolarHBondContact SG-NE2 3.01Å
349G86Confident87.9Confident61 Ų6169 Ų6963%0.62937%0.369SS*.  trans63.86.7177.700000116
350W86.3Confident87.9Confident95 Ų9568.4 Ų68.436%0.3636%0.363SS..  trans-70.7140.5-179.2-79.370.1000111.9C343 C348 F352 H361C343-W350 HydrophobicContact CB-CB 4.41Å; C343-W350 PolarHBondContact N-O 3.1Å; C348-W350 PolarHBondContact O-N 2.73Å; W350-F352 HydrophobicContact CB-CE2 3.87Å; W350-F352 HydrophobicContact CB-CZ 3.92Å; W350-F352 HydrophobicContact CE3-CE1 4.46Å; W350-F352 HydrophobicContact CE3-CZ 4.22Å; W350-H361 AromaticContact CG-CE1 3.89Å
351K89.2Confident88Confident100 Ų10066.1 Ų66.144%0.43535%0.347SS..EExtended strand (participates in β ladder)trans-125.1142.2178.8-50.2-173.6179.6-179.40111.7K339 Y341 C342K339-K351 HydrophobicContact CB-CB 3.61Å; K339-K351 HydrophobicContact CD-CB 4.07Å; K339-K351 WeakPolarHBondContact CD-O 3.33Å; K339-K351 HydrophobicContact CG-CB 4.44Å; Y341-K351 CarbonylContact O-C 3.46Å; Y341-K351 WeakPolarHBondContact O-CA 3.49Å; C342-K351 HydrophobicContact CB-CG 4.45Å
352F87.6Confident87.9Confident29 Ų2965.6 Ų65.613%0.12735%0.345CS..EExtended strand (participates in β ladder)trans-126.8151.6-173.8-57.7-82.1000111.7K339 Y341 W350 E357 L358 H361K339-F352 CarbonylContact C-O 3.34Å; K339-F352 VanDerWaalsContact C-O 3.29Å; K339-F352 VanDerWaalsContact CA-O 3.23Å; K339-F352 WeakPolarHBondContact CA-O 3.29Å; Y341-F352 WeakPolarHBondContact CB-O 3.48Å; Y341-F352 PolarHBondContact N-O 2.96Å; Y341-F352 VanDerWaalsContact N-O 3.11Å; Y341-F352 PolarHBondContact O-N 3.48Å; W350-F352 HydrophobicContact CB-CE2 3.87Å; W350-F352 HydrophobicContact CB-CZ 3.92Å; W350-F352 HydrophobicContact CE3-CE1 4.46Å; W350-F352 HydrophobicContact CE3-CZ 4.22Å; F352-E357 HydrophobicContact CB-CB 3.95Å; F352-E357 HydrophobicContact CD1-CB 3.78Å; F352-E357 HydrophobicContact CG-CB 4.06Å; F352-L358 HydrophobicContact CB-CB 4.37Å; F352-L358 HydrophobicContact CD2-CB 3.88Å; F352-L358 HydrophobicContact CD2-CD1 3.67Å; F352-L358 HydrophobicContact CD2-CG 4.4Å; F352-L358 HydrophobicContact CE2-CD1 3.88Å; F352-L358 HydrophobicContact CG-CB 4.32Å; F352-H361 HydrophobicContact CE1-CB 4.06Å; F352-H361 HydrophobicContact CE2-CB 3.72Å; F352-H361 AromaticContact CE2-CD2 3.55Å; F352-H361 AromaticContact CE2-CG 3.55Å; F352-H361 HydrophobicContact CZ-CB 3.39Å; F352-H361 AromaticContact CZ-CD2 3.73Å; F352-H361 AromaticContact CZ-CG 3.25Å; F352-H361 AromaticContact CZ-ND1 3.49Å; F352-H361 WeakPolarHBondContact CZ-ND1 3.28Å
353A87.1Confident87.9Confident17 Ų1767.6 Ų67.614%0.1435%0.349CS..SBendtrans-83.6-18.3178.500000112R333 Y341 E357R333-A353 HydrophobicContact CB-CB 4.11Å; R333-A353 WeakPolarHBondContact CD-O 3.35Å; R333-A353 PolarHBondContact NH1-O 3.33Å; Y341-A353 WeakPolarHBondContact CE2-O 3.37Å; A353-E357 PolarHBondContact N-OE2 2.98Å
354R86.1Confident87.6Confident102 Ų10270 Ų7039%0.38536%0.359SS..SBendtrans-133151.5-178.8-57.3170.545.6159.5-5.9112.5A330 Y341 D356 E357 L358A330-R354 HydrophobicContact CB-CG 4.29Å; Y341-R354 VanDerWaalsContact CD2-CA 3.5Å; R354-D356 WeakPolarHBondContact CB-OD1 3.3Å; R354-D356 IonicContact CZ-OD1 3.68Å; R354-D356 IonicContact CZ-OD2 3.58Å; R354-D356 IonicContact NE-OD1 2.8Å; R354-D356 PolarHBondContact NE-OD1 2.92Å; R354-D356 IonicContact NE-OD2 3.08Å; R354-D356 IonicContact NH2-OD1 3.5Å; R354-D356 PolarHBondContact NH2-OD1 3.35Å; R354-D356 VanDerWaalsContact NH2-OD1 3.08Å; R354-D356 IonicContact NH2-OD2 3.36Å; R354-D356 PolarHBondContact NH2-OD2 3.34Å; R354-E357 HydrophobicContact CB-CB 4.44Å; R354-E357 HydrophobicContact CB-CG 4.02Å; R354-E357 WeakPolarHBondContact CD-OE1 3.38Å; R354-E357 PolarHBondContact N-OE2 3.36Å; R354-E357 WeakPolarHBondContact O-CB 3.4Å; R354-E357 PolarHBondContact O-N 3Å; R354-L358 PolarHBondContact O-N 2.92Å
355S88.3Confident87.4Confident57 Ų5766.2 Ų66.240%0.39934%0.337SS..Hα-helixtrans-68-37.6179.253.50000112.9E357 L358 T359S355-E357 VanDerWaalsContact C-N 3.27Å; S355-E357 PolarHBondContact O-N 2.86Å; S355-L358 WeakPolarHBondContact O-CB 3.46Å; S355-L358 PolarHBondContact O-N 3.12Å; S355-T359 PolarHBondContact O-N 2.86Å; S355-T359 PolarHBondContact O-OG1 3.23Å; S355-T359 VanDerWaalsContact O-OG1 3.12Å
356D86.3Confident87.3Confident78 Ų7864.7 Ų64.742%0.41734%0.341SS..Hα-helixtrans-67.5-29.7178.662.1-57.6000112.7R354 R360R354-D356 WeakPolarHBondContact CB-OD1 3.3Å; R354-D356 IonicContact CZ-OD1 3.68Å; R354-D356 IonicContact CZ-OD2 3.58Å; R354-D356 IonicContact NE-OD1 2.8Å; R354-D356 PolarHBondContact NE-OD1 2.92Å; R354-D356 IonicContact NE-OD2 3.08Å; R354-D356 IonicContact NH2-OD1 3.5Å; R354-D356 PolarHBondContact NH2-OD1 3.35Å; R354-D356 VanDerWaalsContact NH2-OD1 3.08Å; R354-D356 IonicContact NH2-OD2 3.36Å; R354-D356 PolarHBondContact NH2-OD2 3.34Å; D356-R360 VanDerWaalsContact O-CB 3.31Å; D356-R360 WeakPolarHBondContact O-CB 3.41Å; D356-R360 PolarHBondContact O-N 3.16Å
357E87.9Confident87.2Confident51 Ų5158.6 Ų58.624%0.23833%0.325CS..Hα-helixtrans-66.4-44.6172-67169.3173.800111F352 A353 R354 S355 R360 H361F352-E357 HydrophobicContact CB-CB 3.95Å; F352-E357 HydrophobicContact CD1-CB 3.78Å; F352-E357 HydrophobicContact CG-CB 4.06Å; A353-E357 PolarHBondContact N-OE2 2.98Å; R354-E357 HydrophobicContact CB-CB 4.44Å; R354-E357 HydrophobicContact CB-CG 4.02Å; R354-E357 WeakPolarHBondContact CD-OE1 3.38Å; R354-E357 PolarHBondContact N-OE2 3.36Å; R354-E357 WeakPolarHBondContact O-CB 3.4Å; R354-E357 PolarHBondContact O-N 3Å; S355-E357 VanDerWaalsContact C-N 3.27Å; S355-E357 PolarHBondContact O-N 2.86Å; E357-R360 PolarHBondContact O-N 3.35Å; E357-H361 WeakPolarHBondContact O-CB 3.33Å; E357-H361 PolarHBondContact O-N 3.25Å
358L91Very high87.4Confident20 Ų2060.1 Ų60.111%0.10531%0.313CS..Hα-helixtrans-62.3-48.5174.9176.362.9000111.4C342 C343 F352 R354 S355 R360 H361 Y362C342-L358 WeakPolarHBondContact O-CD1 3.26Å; C342-L358 VanDerWaalsContact O-CD2 3.24Å; C342-L358 WeakPolarHBondContact O-CD2 3.49Å; C343-L358 HydrophobicContact CB-CD1 3.93Å; F352-L358 HydrophobicContact CB-CB 4.37Å; F352-L358 HydrophobicContact CD2-CB 3.88Å; F352-L358 HydrophobicContact CD2-CD1 3.67Å; F352-L358 HydrophobicContact CD2-CG 4.4Å; F352-L358 HydrophobicContact CE2-CD1 3.88Å; F352-L358 HydrophobicContact CG-CB 4.32Å; R354-L358 PolarHBondContact O-N 2.92Å; S355-L358 WeakPolarHBondContact O-CB 3.46Å; S355-L358 PolarHBondContact O-N 3.12Å; L358-R360 VanDerWaalsContact C-N 3.29Å; L358-R360 PolarHBondContact O-N 3.22Å; L358-H361 CarbonylContact O-C 3.52Å; L358-H361 WeakPolarHBondContact O-CA 3.41Å; L358-H361 WeakPolarHBondContact O-CB 3.48Å; L358-H361 PolarHBondContact O-N 3.13Å; L358-Y362 HydrophobicContact CD1-CD2 3.69Å; L358-Y362 HydrophobicContact CD1-CE2 3.42Å; L358-Y362 VanDerWaalsContact CD1-CE2 3.42Å; L358-Y362 HydrophobicContact CD2-CE2 3.97Å; L358-Y362 HydrophobicContact CG-CD2 3.72Å; L358-Y362 HydrophobicContact CG-CE2 3.58Å; L358-Y362 WeakPolarHBondContact O-CD2 3.03Å; L358-Y362 PolarHBondContact O-N 3.23Å
359T89.4Confident87.5Confident71 Ų7165.5 Ų65.544%0.43633%0.332SS..Hα-helixtrans-59.2-41.1177.5-55.40000111.9S355 H361 Y362 R363S355-T359 PolarHBondContact O-N 2.86Å; S355-T359 PolarHBondContact O-OG1 3.23Å; S355-T359 VanDerWaalsContact O-OG1 3.12Å; T359-H361 VanDerWaalsContact C-N 3.33Å; T359-Y362 PolarHBondContact O-N 3.23Å; T359-R363 PolarHBondContact O-N 2.87Å
360R86.8Confident87.6Confident107 Ų10765.4 Ų65.440%0.40432%0.321SS..Hα-helixtrans-64.9-39.9175.2177.8179.158.7172.7-3.4111.5D356 E357 L358 R363D356-R360 VanDerWaalsContact O-CB 3.31Å; D356-R360 WeakPolarHBondContact O-CB 3.41Å; D356-R360 PolarHBondContact O-N 3.16Å; E357-R360 PolarHBondContact O-N 3.35Å; L358-R360 VanDerWaalsContact C-N 3.29Å; L358-R360 PolarHBondContact O-N 3.22Å; R360-R363 WeakPolarHBondContact O-CB 3.33Å; R360-R363 PolarHBondContact O-N 3.48Å
361H89Confident87.8Confident14 Ų1463.9 Ų63.97%0.06532%0.317CS..Hα-helixtrans-64.7-41.7175.9170.683.9000111.9C343 C348 W350 F352 E357 L358 T359 R363 K364 H365C343-H361 PolarHBondContact SG-CD2 3.32Å; C343-H361 PolarHBondContact SG-NE2 3.18Å; C343-H361 VanDerWaalsContact SG-NE2 3.36Å; C348-H361 PolarHBondContact SG-CE1 2.93Å; C348-H361 PolarHBondContact SG-NE2 2.86Å; W350-H361 AromaticContact CG-CE1 3.89Å; F352-H361 HydrophobicContact CE1-CB 4.06Å; F352-H361 HydrophobicContact CE2-CB 3.72Å; F352-H361 AromaticContact CE2-CD2 3.55Å; F352-H361 AromaticContact CE2-CG 3.55Å; F352-H361 HydrophobicContact CZ-CB 3.39Å; F352-H361 AromaticContact CZ-CD2 3.73Å; F352-H361 AromaticContact CZ-CG 3.25Å; F352-H361 AromaticContact CZ-ND1 3.49Å; F352-H361 WeakPolarHBondContact CZ-ND1 3.28Å; E357-H361 WeakPolarHBondContact O-CB 3.33Å; E357-H361 PolarHBondContact O-N 3.25Å; L358-H361 CarbonylContact O-C 3.52Å; L358-H361 WeakPolarHBondContact O-CA 3.41Å; L358-H361 WeakPolarHBondContact O-CB 3.48Å; L358-H361 PolarHBondContact O-N 3.13Å; T359-H361 VanDerWaalsContact C-N 3.33Å; H361-R363 PolarHBondContact O-N 3.44Å; H361-R363 VanDerWaalsContact O-N 3.17Å; H361-K364 WeakPolarHBondContact O-CB 3.32Å; H361-K364 WeakPolarHBondContact O-CG 3.26Å; H361-K364 PolarHBondContact O-N 3.42Å; H361-H365 AromaticContact CD2-NE2 3.89Å; H361-H365 AromaticContact CE1-NE2 3.8Å; H361-H365 AromaticContact NE2-CD2 3.94Å; H361-H365 AromaticContact NE2-NE2 3.19Å; H361-H365 PolarHBondContact NE2-NE2 3.46Å; H361-H365 VanDerWaalsContact NE2-NE2 3.19Å
362Y87.3Confident87.9Confident47 Ų4765.2 Ų65.218%0.18433%0.325CS..Hα-helixtrans-57.3-31.4175.2-92.7-72.2000113.9D344 L358 T359 K364 H365 T366D344-Y362 VanDerWaalsContact CB-OH 3.3Å; D344-Y362 WeakPolarHBondContact CB-OH 3.21Å; D344-Y362 PolarHBondContact N-OH 3.09Å; D344-Y362 PolarHBondContact OD2-OH 3.18Å; L358-Y362 HydrophobicContact CD1-CD2 3.69Å; L358-Y362 HydrophobicContact CD1-CE2 3.42Å; L358-Y362 VanDerWaalsContact CD1-CE2 3.42Å; L358-Y362 HydrophobicContact CD2-CE2 3.97Å; L358-Y362 HydrophobicContact CG-CD2 3.72Å; L358-Y362 HydrophobicContact CG-CE2 3.58Å; L358-Y362 WeakPolarHBondContact O-CD2 3.03Å; L358-Y362 PolarHBondContact O-N 3.23Å; T359-Y362 PolarHBondContact O-N 3.23Å; Y362-K364 PolarHBondContact O-N 3.39Å; Y362-H365 PolarHBondContact O-N 2.82Å; Y362-H365 VanDerWaalsContact O-N 3.1Å; Y362-T366 PolarHBondContact O-N 3.01Å; Y362-T366 VanDerWaalsContact O-N 3.14Å; Y362-T366 PolarHBondContact O-OG1 3.5Å
363R89.5Confident88.1Confident69 Ų6964.2 Ų64.226%0.2632%0.321SS..Hα-helixtrans-62.7-20.3174.3-65178.7-173.4167.12.7113T359 R360 H361 G367 H368 S381T359-R363 PolarHBondContact O-N 2.87Å; R360-R363 WeakPolarHBondContact O-CB 3.33Å; R360-R363 PolarHBondContact O-N 3.48Å; H361-R363 PolarHBondContact O-N 3.44Å; H361-R363 VanDerWaalsContact O-N 3.17Å; R363-G367 CarbonylContact O-C 3.5Å; R363-G367 WeakPolarHBondContact O-CA 3.25Å; R363-G367 PolarHBondContact O-N 2.88Å; R363-H368 HydrophobicContact CG-CB 4.45Å; R363-H368 PolarHBondContact O-N 3.3Å; R363-S381 PolarHBondContact NH1-O 2.79Å
364K84.1Confident88.3Confident59 Ų5968.4 Ų68.426%0.25736%0.356SS..Hα-helixtrans-71.5-40.1174.1-57.2-172.3-179.9-160.90111.2D54 S58 H361 Y362D54-K364 PolarHBondContact O-NZ 2.82Å; S58-K364 PolarHBondContact OG-NZ 3.21Å; H361-K364 WeakPolarHBondContact O-CB 3.32Å; H361-K364 WeakPolarHBondContact O-CG 3.26Å; H361-K364 PolarHBondContact O-N 3.42Å; Y362-K364 PolarHBondContact O-N 3.39Å
365H86.3Confident88.5Confident41 Ų4169.5 Ų69.519%0.1936%0.363CS..Hα-helixtrans-70.6-42.5177.5-65.2-57.9000112.4C343 W345 C348 H361 Y362C343-H365 PolarHBondContact SG-NE2 3.37Å; C343-H365 VanDerWaalsContact SG-NE2 3.39Å; W345-H365 AromaticContact CD1-CE1 3.54Å; W345-H365 AromaticContact CD1-CG 3.94Å; W345-H365 AromaticContact CD1-ND1 3.41Å; W345-H365 HydrophobicContact CD2-CB 3.43Å; W345-H365 VanDerWaalsContact CD2-CB 3.43Å; W345-H365 AromaticContact CD2-CD2 3.91Å; W345-H365 AromaticContact CD2-CG 3.4Å; W345-H365 AromaticContact CD2-ND1 3.66Å; W345-H365 AromaticContact CE2-CG 3.82Å; W345-H365 AromaticContact CE2-ND1 3.73Å; W345-H365 HydrophobicContact CE3-CB 3.36Å; W345-H365 AromaticContact CE3-CG 3.77Å; W345-H365 HydrophobicContact CG-CB 4.09Å; W345-H365 AromaticContact CG-CD2 3.64Å; W345-H365 AromaticContact CG-CE1 3.59Å; W345-H365 AromaticContact CG-CG 3.48Å; W345-H365 VanDerWaalsContact CG-CG 3.48Å; W345-H365 AromaticContact CG-ND1 3.44Å; W345-H365 AromaticContact CG-NE2 3.74Å; W345-H365 HydrophobicContact CH2-CB 3.81Å; W345-H365 HydrophobicContact CZ2-CB 3.9Å; W345-H365 HydrophobicContact CZ3-CB 3.55Å; W345-H365 AromaticContact NE1-ND1 3.59Å; C348-H365 PolarHBondContact SG-CE1 3.44Å; C348-H365 PolarHBondContact SG-NE2 3.01Å; H361-H365 AromaticContact CD2-NE2 3.89Å; H361-H365 AromaticContact CE1-NE2 3.8Å; H361-H365 AromaticContact NE2-CD2 3.94Å; H361-H365 AromaticContact NE2-NE2 3.19Å; H361-H365 PolarHBondContact NE2-NE2 3.46Å; H361-H365 VanDerWaalsContact NE2-NE2 3.19Å; Y362-H365 PolarHBondContact O-N 2.82Å; Y362-H365 VanDerWaalsContact O-N 3.1Å
366T86.3Confident88.7Confident87 Ų8768.5 Ų68.553%0.53436%0.356SS..Hα-helixtrans-85.5-9.8-176.757.40000113.8W345 Y362 H368W345-T366 HydrophobicContact CZ3-CG2 4.3Å; Y362-T366 PolarHBondContact O-N 3.01Å; Y362-T366 VanDerWaalsContact O-N 3.14Å; Y362-T366 PolarHBondContact O-OG1 3.5Å; T366-H368 PolarHBondContact O-N 2.98Å; T366-H368 VanDerWaalsContact O-N 3.11Å; T366-H368 WeakPolarHBondContact OG1-CB 3.36Å; T366-H368 PolarHBondContact OG1-N 3.43Å
367G86.1Confident88.9Confident47 Ų4772 Ų7249%0.48537%0.374SS..  trans62.512.9-171.500000113.9R363 R369R363-G367 CarbonylContact O-C 3.5Å; R363-G367 WeakPolarHBondContact O-CA 3.25Å; R363-G367 PolarHBondContact O-N 2.88Å; G367-R369 PolarHBondContact O-N 2.89Å
368H87.8Confident88.8Confident101 Ų10175 Ų7547%0.46838%0.384SS..  trans-67.8119.5-171.5-178.7-114.3000112.1R363 T366 P370R363-H368 HydrophobicContact CG-CB 4.45Å; R363-H368 PolarHBondContact O-N 3.3Å; T366-H368 PolarHBondContact O-N 2.98Å; T366-H368 VanDerWaalsContact O-N 3.11Å; T366-H368 WeakPolarHBondContact OG1-CB 3.36Å; T366-H368 PolarHBondContact OG1-N 3.43Å; H368-P370 WeakPolarHBondContact O-CD 3.3Å
369R89.2Confident88.7Confident122 Ų12275.1 Ų75.146%0.4639%0.387SS..  trans-12382.5-176.3-72.4173.3133.9-161.4-3.9111.3G367 F371 A379 F380G367-R369 PolarHBondContact O-N 2.89Å; R369-F371 VanDerWaalsContact C-N 3.26Å; R369-F371 PolarHBondContact O-N 2.85Å; R369-A379 HydrophobicContact CB-CB 3.83Å; R369-A379 PolarHBondContact NE-O 3.17Å; R369-A379 VanDerWaalsContact NE-O 3.07Å; R369-A379 PolarHBondContact NH1-O 3.28Å; R369-A379 VanDerWaalsContact NH1-O 3.12Å; R369-A379 PolarHBondContact NH2-O 2.74Å; R369-F380 CarbonylContact C-O 3.56Å; R369-F380 WeakPolarHBondContact CA-O 3.27Å
370P87.8Confident88.6Confident59 Ų5971.9 Ų71.938%0.38337%0.367SS..  trans-75.3-10.6-174.328.2-32.7000114.2H368H368-P370 WeakPolarHBondContact O-CD 3.3Å
371F89.9Confident88.7Confident63 Ų6368.5 Ų68.528%0.27636%0.36SS..EExtended strand (participates in β ladder)trans-105.592.3-173.9-59.2-75.3000111R369 A379 F380 L386R369-F371 VanDerWaalsContact C-N 3.26Å; R369-F371 PolarHBondContact O-N 2.85Å; F371-A379 CarbonylContact O-C 3.53Å; F371-A379 WeakPolarHBondContact O-CA 3.31Å; F371-F380 HydrophobicContact CB-CB 4.2Å; F371-F380 WeakPolarHBondContact CB-O 3.42Å; F371-F380 PolarHBondContact N-O 3.28Å; F371-F380 WeakPolarHBondContact O-CD2 3.34Å; F371-F380 PolarHBondContact O-N 3.12Å; F371-L386 HydrophobicContact CB-CB 4.21Å; F371-L386 HydrophobicContact CB-CD2 3.96Å
372Q91.4Very high88.6Confident129 Ų12970.3 Ų70.360%0.60337%0.366SS*.EExtended strand (participates in β ladder)trans-84.8140.2177.1-164.4171.35.100111.8
373C92.9Very high88.7Confident7 Ų771.5 Ų71.55%0.04738%0.381CS..  trans-71.1137.3169.2173.30000110.3K375 C376 R378 F380 L386 M390C373-K375 PolarHBondContact SG-N 2.81Å; C373-C376 CarbonylContact C-O 3.29Å; C373-C376 VanDerWaalsContact CB-O 3.25Å; C373-C376 WeakPolarHBondContact CB-O 3.5Å; C373-C376 PolarHBondContact SG-N 3.48Å; C373-C376 PolarHBondContact SG-SG 3.44Å; C373-R378 WeakPolarHBondContact CB-O 3.37Å; C373-R378 PolarHBondContact N-O 3.35Å; C373-F380 HydrophobicContact CB-CE2 4.35Å; C373-L386 HydrophobicContact CB-CD1 3.99Å; C373-M390 HydrophobicContact CB-CE 3.74Å; C373-M390 WeakPolarHBondContact SG-CE 3.32Å
374A91.9Very high88.7Confident106 Ų10671.3 Ų71.388%0.87639%0.386SS*.SBendtrans-82.6-16.4177.300000113.5
375K89.8Confident89Confident125 Ų12570.1 Ų70.154%0.54338%0.381SS..SBendtrans-102.4-15.9-176.8-67.3-176.7173.6-178.10113.6C373 H393C373-K375 PolarHBondContact SG-N 2.81Å; K375-H393 HydrophobicContact CD-CB 3.4Å; K375-H393 VanDerWaalsContact CD-CB 3.4Å; K375-H393 PolarHBondContact NZ-O 3.23Å
376C92.4Very high89.2Confident35 Ų3569.7 Ų69.724%0.23638%0.38CS..SBendtrans-153.2166.5175.270.80000110.2C373 R378 H389C373-C376 CarbonylContact C-O 3.29Å; C373-C376 VanDerWaalsContact CB-O 3.25Å; C373-C376 WeakPolarHBondContact CB-O 3.5Å; C373-C376 PolarHBondContact SG-N 3.48Å; C373-C376 PolarHBondContact SG-SG 3.44Å; C376-R378 PolarHBondContact O-N 2.91Å; C376-H389 PolarHBondContact SG-NE2 2.88Å
377D89.5Confident89.4Confident152 Ų15268.1 Ų68.181%0.81338%0.376SS*.SBendtrans-76.510.8-174.6-57.7-44.4000114.6A379D377-A379 PolarHBondContact O-N 3.43Å
378R87.3Confident89.6Confident114 Ų11470.9 Ų70.943%0.4338%0.379SS..  trans-74.5126.9178.5-68.1-174-178.1-172.60.3110.6D49 C373 C376 F380D49-R378 IonicContact OD2-NH1 3.01Å; D49-R378 PolarHBondContact OD2-NH1 3.03Å; C373-R378 WeakPolarHBondContact CB-O 3.37Å; C373-R378 PolarHBondContact N-O 3.35Å; C376-R378 PolarHBondContact O-N 2.91Å; R378-F380 HydrophobicContact CB-CE2 3.91Å; R378-F380 HydrophobicContact CB-CZ 3.92Å
379A88.4Confident89.7Confident22 Ų2266.7 Ų66.718%0.18236%0.359CS..EExtended strand (participates in β ladder)trans-110151.317200000111.7R369 F371 D377R369-A379 HydrophobicContact CB-CB 3.83Å; R369-A379 PolarHBondContact NE-O 3.17Å; R369-A379 VanDerWaalsContact NE-O 3.07Å; R369-A379 PolarHBondContact NH1-O 3.28Å; R369-A379 VanDerWaalsContact NH1-O 3.12Å; R369-A379 PolarHBondContact NH2-O 2.74Å; F371-A379 CarbonylContact O-C 3.53Å; F371-A379 WeakPolarHBondContact O-CA 3.31Å; D377-A379 PolarHBondContact O-N 3.43Å
380F88.1Confident89.8Confident3 Ų363.3 Ų63.31%0.01335%0.349CS..EExtended strand (participates in β ladder)trans-129.1147.9-173.9-58.1-90.8000110.8L51 R369 F371 C373 R378 R382 H385 L386 H389L51-F380 HydrophobicContact CD1-CD1 4.44Å; L51-F380 HydrophobicContact CD1-CE1 3.57Å; L51-F380 HydrophobicContact CD1-CZ 4.36Å; L51-F380 HydrophobicContact CD2-CD1 3.77Å; L51-F380 HydrophobicContact CD2-CE1 3.57Å; L51-F380 HydrophobicContact CG-CE1 4.2Å; R369-F380 CarbonylContact C-O 3.56Å; R369-F380 WeakPolarHBondContact CA-O 3.27Å; F371-F380 HydrophobicContact CB-CB 4.2Å; F371-F380 WeakPolarHBondContact CB-O 3.42Å; F371-F380 PolarHBondContact N-O 3.28Å; F371-F380 WeakPolarHBondContact O-CD2 3.34Å; F371-F380 PolarHBondContact O-N 3.12Å; C373-F380 HydrophobicContact CB-CE2 4.35Å; R378-F380 HydrophobicContact CB-CE2 3.91Å; R378-F380 HydrophobicContact CB-CZ 3.92Å; F380-R382 VanDerWaalsContact C-N 3.3Å; F380-H385 HydrophobicContact CB-CB 4.31Å; F380-H385 HydrophobicContact CD1-CB 3.87Å; F380-H385 HydrophobicContact CG-CB 4.38Å; F380-L386 HydrophobicContact CB-CB 4.32Å; F380-L386 HydrophobicContact CD2-CB 3.88Å; F380-L386 HydrophobicContact CD2-CD1 3.7Å; F380-L386 HydrophobicContact CD2-CG 4.39Å; F380-L386 HydrophobicContact CE2-CD1 3.84Å; F380-L386 HydrophobicContact CG-CB 4.2Å; F380-H389 HydrophobicContact CE1-CB 3.9Å; F380-H389 HydrophobicContact CE2-CB 4Å; F380-H389 AromaticContact CE2-CD2 3.36Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.39Å; F380-H389 AromaticContact CE2-CG 3.76Å; F380-H389 HydrophobicContact CZ-CB 3.44Å; F380-H389 VanDerWaalsContact CZ-CB 3.44Å; F380-H389 AromaticContact CZ-CD2 3.3Å; F380-H389 WeakPolarHBondContact CZ-CD2 3.38Å; F380-H389 AromaticContact CZ-CG 3.23Å; F380-H389 AromaticContact CZ-ND1 3.85Å; F380-H389 AromaticContact CZ-NE2 3.96Å
381S87.2Confident90Very high37 Ų3767 Ų6726%0.25936%0.36SS..SBendtrans-79.6-14.7175.559.50000112.8R363R363-S381 PolarHBondContact NH1-O 2.79Å
382R87.9Confident90Very high52 Ų5270.1 Ų70.120%0.19637%0.37CS..SBendtrans-138146.8-178.1-55.7158.255.9168.3-5.8111.9D54 F380 D384 H385 L386D54-R382 IonicContact OD2-NH1 3.75Å; F380-R382 VanDerWaalsContact C-N 3.3Å; R382-D384 WeakPolarHBondContact CB-OD1 3.41Å; R382-D384 IonicContact CZ-OD1 2.67Å; R382-D384 IonicContact CZ-OD2 3.43Å; R382-D384 IonicContact NE-OD1 3.42Å; R382-D384 PolarHBondContact NE-OD1 3.45Å; R382-D384 IonicContact NE-OD2 3.02Å; R382-D384 PolarHBondContact NE-OD2 3.09Å; R382-D384 IonicContact NH2-OD1 3.63Å; R382-D384 IonicContact NH2-OD2 2.69Å; R382-D384 PolarHBondContact NH2-OD2 3.26Å; R382-H385 HydrophobicContact CB-CB 4.48Å; R382-H385 PolarHBondContact NE-NE2 3.31Å; R382-H385 PolarHBondContact NH1-NE2 3.33Å; R382-H385 PolarHBondContact O-N 3.45Å; R382-L386 PolarHBondContact O-N 3.22Å
383S90.1Very high89.8Confident71 Ų7166.9 Ų66.950%0.49735%0.354SS..Hα-helixtrans-71.6-31.9-178.755.10000113.3H385 L386 A387S383-H385 VanDerWaalsContact C-N 3.34Å; S383-L386 PolarHBondContact O-N 3.34Å; S383-A387 WeakPolarHBondContact O-CB 3.43Å; S383-A387 PolarHBondContact O-N 2.84Å
384D89.1Confident89.4Confident66 Ų6675.5 Ų75.535%0.35340%0.399SS..Hα-helixtrans-67.6-36176.561.3-40.9000111.8R382 A387 L388R382-D384 WeakPolarHBondContact CB-OD1 3.41Å; R382-D384 IonicContact CZ-OD1 2.67Å; R382-D384 IonicContact CZ-OD2 3.43Å; R382-D384 IonicContact NE-OD1 3.42Å; R382-D384 PolarHBondContact NE-OD1 3.45Å; R382-D384 IonicContact NE-OD2 3.02Å; R382-D384 PolarHBondContact NE-OD2 3.09Å; R382-D384 IonicContact NH2-OD1 3.63Å; R382-D384 IonicContact NH2-OD2 2.69Å; R382-D384 PolarHBondContact NH2-OD2 3.26Å; D384-A387 PolarHBondContact O-N 3.19Å; D384-L388 WeakPolarHBondContact O-CG 3.31Å; D384-L388 PolarHBondContact O-N 3.12Å
385H89Confident89.2Confident33 Ų3374 Ų7415%0.15338%0.375CS..Hα-helixtrans-66.1-43.1173.2-67.7-159000111.1L51 F380 R382 S383 A387 L388 H389L51-H385 HydrophobicContact CD2-CB 4.33Å; F380-H385 HydrophobicContact CB-CB 4.31Å; F380-H385 HydrophobicContact CD1-CB 3.87Å; F380-H385 HydrophobicContact CG-CB 4.38Å; R382-H385 HydrophobicContact CB-CB 4.48Å; R382-H385 PolarHBondContact NE-NE2 3.31Å; R382-H385 PolarHBondContact NH1-NE2 3.33Å; R382-H385 PolarHBondContact O-N 3.45Å; S383-H385 VanDerWaalsContact C-N 3.34Å; H385-A387 VanDerWaalsContact C-N 3.35Å; H385-A387 PolarHBondContact O-N 3.39Å; H385-L388 PolarHBondContact O-N 2.95Å; H385-H389 VanDerWaalsContact O-CB 3.32Å; H385-H389 WeakPolarHBondContact O-CB 3.47Å; H385-H389 PolarHBondContact O-N 2.89Å
386L90.6Very high89.2Confident32 Ų3271.3 Ų71.317%0.16837%0.366CS..Hα-helixtrans-59.6-45.6172.317464.3000111F371 C373 F380 R382 S383 L388 H389 M390F371-L386 HydrophobicContact CB-CB 4.21Å; F371-L386 HydrophobicContact CB-CD2 3.96Å; C373-L386 HydrophobicContact CB-CD1 3.99Å; F380-L386 HydrophobicContact CB-CB 4.32Å; F380-L386 HydrophobicContact CD2-CB 3.88Å; F380-L386 HydrophobicContact CD2-CD1 3.7Å; F380-L386 HydrophobicContact CD2-CG 4.39Å; F380-L386 HydrophobicContact CE2-CD1 3.84Å; F380-L386 HydrophobicContact CG-CB 4.2Å; R382-L386 PolarHBondContact O-N 3.22Å; S383-L386 PolarHBondContact O-N 3.34Å; L386-L388 PolarHBondContact O-N 3.17Å; L386-H389 CarbonylContact O-C 3.49Å; L386-H389 WeakPolarHBondContact O-CB 3.39Å; L386-H389 PolarHBondContact O-N 3.1Å; L386-M390 HydrophobicContact CD1-CE 3.51Å; L386-M390 HydrophobicContact CD1-CG 4.28Å; L386-M390 HydrophobicContact CD1-SD 4.29Å; L386-M390 HydrophobicContact CG-CG 4.39Å; L386-M390 WeakPolarHBondContact O-CG 3.32Å; L386-M390 PolarHBondContact O-N 2.76Å
387A90.7Very high89Confident55 Ų5573.3 Ų73.346%0.45537%0.373SS..Hα-helixtrans-63.2-39.6-179.200000112.7S383 D384 H385 M390S383-A387 WeakPolarHBondContact O-CB 3.43Å; S383-A387 PolarHBondContact O-N 2.84Å; D384-A387 PolarHBondContact O-N 3.19Å; H385-A387 VanDerWaalsContact C-N 3.35Å; H385-A387 PolarHBondContact O-N 3.39Å; A387-M390 PolarHBondContact O-N 3.48Å
388L91Very high89Confident104 Ų10468.7 Ų68.755%0.54535%0.348SS..Hα-helixtrans-65.8-43.2172.3-72.3173.6000111.3D384 H385 L386 M390 K391D384-L388 WeakPolarHBondContact O-CG 3.31Å; D384-L388 PolarHBondContact O-N 3.12Å; H385-L388 PolarHBondContact O-N 2.95Å; L386-L388 PolarHBondContact O-N 3.17Å; L388-M390 VanDerWaalsContact C-N 3.29Å; L388-M390 PolarHBondContact O-N 3.4Å; L388-K391 HydrophobicContact CD2-CD 4.46Å; L388-K391 WeakPolarHBondContact O-CB 3.35Å; L388-K391 PolarHBondContact O-N 3.37Å; L388-K391 VanDerWaalsContact O-N 3.16Å
389H89.8Confident89.1Confident13 Ų1365.9 Ų65.96%0.0634%0.342CS..Hα-helixtrans-61.3-37.7175.5173.964.2000112.4C376 F380 H385 L386 K391 R392 H393C376-H389 PolarHBondContact SG-NE2 2.88Å; F380-H389 HydrophobicContact CE1-CB 3.9Å; F380-H389 HydrophobicContact CE2-CB 4Å; F380-H389 AromaticContact CE2-CD2 3.36Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.39Å; F380-H389 AromaticContact CE2-CG 3.76Å; F380-H389 HydrophobicContact CZ-CB 3.44Å; F380-H389 VanDerWaalsContact CZ-CB 3.44Å; F380-H389 AromaticContact CZ-CD2 3.3Å; F380-H389 WeakPolarHBondContact CZ-CD2 3.38Å; F380-H389 AromaticContact CZ-CG 3.23Å; F380-H389 AromaticContact CZ-ND1 3.85Å; F380-H389 AromaticContact CZ-NE2 3.96Å; H385-H389 VanDerWaalsContact O-CB 3.32Å; H385-H389 WeakPolarHBondContact O-CB 3.47Å; H385-H389 PolarHBondContact O-N 2.89Å; L386-H389 CarbonylContact O-C 3.49Å; L386-H389 WeakPolarHBondContact O-CB 3.39Å; L386-H389 PolarHBondContact O-N 3.1Å; H389-K391 PolarHBondContact O-N 3.33Å; H389-K391 VanDerWaalsContact O-N 3.14Å; H389-R392 WeakPolarHBondContact O-CB 3.12Å; H389-R392 PolarHBondContact O-N 2.99Å; H389-H393 AromaticContact CD2-NE2 3.78Å; H389-H393 AromaticContact CE1-CD2 3.98Å; H389-H393 AromaticContact CE1-NE2 3.26Å; H389-H393 PolarHBondContact CE1-NE2 2.97Å; H389-H393 VanDerWaalsContact CE1-NE2 3.26Å; H389-H393 AromaticContact NE2-CD2 3.67Å; H389-H393 AromaticContact NE2-NE2 2.92Å; H389-H393 PolarHBondContact NE2-NE2 3.15Å
390M90.3Very high89.2Confident51 Ų5168.8 Ų68.825%0.25135%0.353SS..Hα-helixtrans-59.2-28.3177.7-74.6-52.287.800112.5C373 L386 A387 L388 R392 H393C373-M390 HydrophobicContact CB-CE 3.74Å; C373-M390 WeakPolarHBondContact SG-CE 3.32Å; L386-M390 HydrophobicContact CD1-CE 3.51Å; L386-M390 HydrophobicContact CD1-CG 4.28Å; L386-M390 HydrophobicContact CD1-SD 4.29Å; L386-M390 HydrophobicContact CG-CG 4.39Å; L386-M390 WeakPolarHBondContact O-CG 3.32Å; L386-M390 PolarHBondContact O-N 2.76Å; A387-M390 PolarHBondContact O-N 3.48Å; L388-M390 VanDerWaalsContact C-N 3.29Å; L388-M390 PolarHBondContact O-N 3.4Å; M390-R392 PolarHBondContact O-N 3.31Å; M390-H393 PolarHBondContact O-N 3.43Å; M390-H393 VanDerWaalsContact O-N 3.14Å
391K92.7Very high89.2Confident137 Ų13773.5 Ų73.560%0.59638%0.377SS*.G310 helixtrans-66.9-19.9175.8-59.9179.4-179.7-179.30113.6L388 H389 H393L388-K391 HydrophobicContact CD2-CD 4.46Å; L388-K391 WeakPolarHBondContact O-CB 3.35Å; L388-K391 PolarHBondContact O-N 3.37Å; L388-K391 VanDerWaalsContact O-N 3.16Å; H389-K391 PolarHBondContact O-N 3.33Å; H389-K391 VanDerWaalsContact O-N 3.14Å; K391-H393 VanDerWaalsContact C-N 3.26Å
392R90.3Very high89.4Confident129 Ų12976.3 Ų76.349%0.48739%0.387SS..G310 helixtrans-78.6-13.7175.7-58.9177.876.5153.64.4112.5D47 D49 H389 M390D47-R392 IonicContact OD2-NH2 2.85Å; D47-R392 PolarHBondContact OD2-NH2 3.25Å; D49-R392 IonicContact OD1-CZ 3.58Å; D49-R392 IonicContact OD1-NH1 2.61Å; D49-R392 PolarHBondContact OD1-NH1 3.48Å; D49-R392 IonicContact OD1-NH2 3.67Å; D49-R392 IonicContact OD2-CZ 3.75Å; D49-R392 IonicContact OD2-NH1 2.89Å; D49-R392 PolarHBondContact OD2-NH1 2.94Å; H389-R392 WeakPolarHBondContact O-CB 3.12Å; H389-R392 PolarHBondContact O-N 2.99Å; M390-R392 PolarHBondContact O-N 3.31Å
393H86.3Confident89.5Confident60 Ų6078.3 Ų78.328%0.27840%0.402SS..G310 helixtrans-104.44.3177.7-62.6-80.1000113.3K375 H389 M390 K391K375-H393 HydrophobicContact CD-CB 3.4Å; K375-H393 VanDerWaalsContact CD-CB 3.4Å; K375-H393 PolarHBondContact NZ-O 3.23Å; H389-H393 AromaticContact CD2-NE2 3.78Å; H389-H393 AromaticContact CE1-CD2 3.98Å; H389-H393 AromaticContact CE1-NE2 3.26Å; H389-H393 PolarHBondContact CE1-NE2 2.97Å; H389-H393 VanDerWaalsContact CE1-NE2 3.26Å; H389-H393 AromaticContact NE2-CD2 3.67Å; H389-H393 AromaticContact NE2-NE2 2.92Å; H389-H393 PolarHBondContact NE2-NE2 3.15Å; M390-H393 PolarHBondContact O-N 3.43Å; M390-H393 VanDerWaalsContact O-N 3.14Å; K391-H393 VanDerWaalsContact C-N 3.26Å
394L84.6Confident89.5Confident189 Ų18979 Ų7999%0.9939%0.394SS*.  trans-99.40170.5-64.6175.3000107

Retrieved 394 of 394 residues in 318.1 ms (Link to these results)