A0A096NCN0_PAPAN Loading...

Putative transcription factor Ovo-like 1

Putative transcription factor. Involved in hair formation and spermatogenesis. May function in the differentiation and/or maintenance of the urogenital system.

AlphaFold DB (A0A7N9IB29), UniProt , Accession A0A096NCN0, Species PAPAN (Papio anubis, Olive baboon), Gene OVOL1, Length 267 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
1M35.8Very low33Very low239 Ų239157.9 Ų157.9100%1.17783%0.829SS**  0144.70-69.9-66176.100108.2
2P43.2Very low33.5Very low126 Ų126156 Ų15682%0.81883%0.828SS**  cis-126.9177.8-6.735.7-16.8000114.8
3R38.8Very low33.6Very low207 Ų207150.9 Ų150.978%0.78181%0.813SS**  trans-67.7159.4177.6-74.6161.3119.3146.1-2.7114.5
4A29.5Very low33.7Very low103 Ų103148.8 Ų148.885%0.85181%0.808SS**  -149.6139.3129.300000111
5F33.5Very low33.9Very low151 Ų151147.7 Ų147.766%0.66281%0.814SS**  trans-80.2152.9-179.5-79.9-107.9000111.9
6L32.5Very low34Very low176 Ų176149.7 Ų149.792%0.92181%0.812SS**  trans-142.2131.3141.3-101.4168.5000110.7
7V31.4Very low34Very low107 Ų107153.9 Ų153.965%0.64881%0.813SS**PPolyproline II helixtrans-75.2129.6-166173.70000111.4K9V7-K9 HydrophobicContact CG1-CG 4.18Å
8K33.1Very low33.8Very low210 Ų210153.5 Ų153.591%0.91381%0.811SS**PPolyproline II helixtrans-102.8117150.8-74.8-173.4-179.4-179.20107.9
9K28.6Very low33.8Very low187 Ų187159.2 Ų159.281%0.81382%0.821SS**PPolyproline II helixtrans-62.3142-170.2-65173.2177.1176.40111.1V7V7-K9 HydrophobicContact CG1-CG 4.18Å
10P28.6Very low33.8Very low110 Ų110155.6 Ų155.671%0.71481%0.81SS**PPolyproline II helixtrans-69.8134.8169.428.4-30.8000109.9V12P10-V12 PolarHBondContact O-N 3.38Å; P10-V12 VanDerWaalsContact O-N 3.12Å
11C28.4Very low34Very low121 Ų121156.6 Ų156.682%0.81881%0.811SS**  trans-68.7106172.4-167.50000108.8S13C11-S13 PolarHBondContact O-N 3.2Å
12V39Very low33.9Very low135 Ų135153.1 Ų153.182%0.81880%0.796SS**  trans-90.190.5169.7177.60000107.8P10P10-V12 PolarHBondContact O-N 3.38Å; P10-V12 VanDerWaalsContact O-N 3.12Å
13S34.3Very low33.5Very low90 Ų90152.8 Ų152.863%0.62979%0.794SS**SBendtrans-149.191.9149.661.30000106.9C11 C15C11-S13 PolarHBondContact O-N 3.2Å; S13-C15 PolarHBondContact O-N 3.43Å
14T34.5Very low33.4Very low121 Ų121150.6 Ų150.674%0.74280%0.798SS**  trans-6.890.1163.635.70000116K16T14-K16 PolarHBondContact O-N 3.3Å
15C37Very low34.1Very low133 Ų133154.4 Ų154.490%0.89980%0.798SS**  trans-70.4102.4147.1-175.20000106.7S13S13-C15 PolarHBondContact O-N 3.43Å
16K36Very low34.1Very low179 Ų179156.9 Ų156.978%0.77881%0.812SS**  trans-121.4101.7170.2-88.2-171.4176.8-179.40110.3T14T14-K16 PolarHBondContact O-N 3.3Å
17R33.9Very low34.2Very low221 Ų221160 Ų16083%0.83481%0.811SS**  trans77.6115150.2-71.6-179.7-176.8171-0.8120.2
18N30.4Very low34.1Very low147 Ų147158.4 Ų158.479%0.78682%0.816SS**  trans-56.4135.6158.5-133.29.8000110.3S20N18-S20 VanDerWaalsContact C-N 3.29Å; N18-S20 PolarHBondContact O-N 3.28Å
19W33.7Very low33.9Very low262 Ų262156.8 Ų156.899%0.99281%0.812SS**SBendtrans-84.615.2-175.3-9377.6000114.8
20S34.3Very low33.8Very low86 Ų86155.2 Ų155.260%0.60181%0.811SS**SBendtrans-112.19.2-16649.60000116.2N18N18-S20 VanDerWaalsContact C-N 3.29Å; N18-S20 PolarHBondContact O-N 3.28Å
21E38.5Very low33.7Very low178 Ų178160.2 Ų160.283%0.83282%0.817SS**  trans-147.893.6177.5-63.6-173.1155.400111.5
22L33.6Very low33.7Very low166 Ų166159.9 Ų159.987%0.86981%0.811SS**  trans-159.7145.2155.9-96.1159.7000109.9
23P34.7Very low33.3Very low119 Ų119159.1 Ų159.177%0.77381%0.809SS**  trans-86.4156.7-156.3-6.525.6000116.1E25P23-E25 PolarHBondContact O-N 3.41Å
24D36.4Very low33Very low161 Ų161160.6 Ų160.686%0.86181%0.813SS**SBendtrans-71.387.9173.3-77.1-65.2000112.9
25E43.3Very low32.8Very low183 Ų183160.5 Ų160.586%0.85582%0.818SS**  trans-16470.2162.6-126.9179.6152.400112.5P23P23-E25 PolarHBondContact O-N 3.41Å
26E33.2Very low32.4Very low202 Ų202162.1 Ų162.194%0.94482%0.817SS**  trans-158.560149.8-81.1-144.9131.500109.1G28E26-G28 PolarHBondContact O-N 3.06Å
27R36.3Very low32Very low242 Ų242157.3 Ų157.391%0.91382%0.818SS**  trans-83.893160.7-170.1-174.8-61.4-125.10.6106.7
28G27.7Very low31.7Very low73 Ų73156.7 Ų156.775%0.75382%0.822SS**  trans-124.7106.3177.700000111E26E26-G28 PolarHBondContact O-N 3.06Å
29E28.6Very low31.5Very low176 Ų176155.6 Ų155.682%0.82282%0.824SS**  trans-55.8160.4168.7-60174.9150.200112.2
30I27.5Very low31.3Very low154 Ų154148.3 Ų148.379%0.7981%0.811SS**  156.6116.1125.1-75.8155.5000112.8
31Y26.1Very low31.2Very low216 Ų216149.6 Ų149.685%0.84782%0.817SS**  trans67.3122.2143.6-96.5-109.2000124.9
32V28.1Very low30.7Very low113 Ų113149.7 Ų149.769%0.68582%0.818SS**  trans-95.1147.3154-164.90000108.4V34V32-V34 HydrophobicContact CG1-CG2 4.24Å
33P31Very low30.5Very low119 Ų119146.4 Ų146.477%0.77381%0.806SS**  trans-111.9114148.55.714.2000110.8
34V27.6Very low30.1Very low121 Ų121150.7 Ų150.773%0.73381%0.808SS**  trans-83.9122.5156.9172.10000106.6V32V32-V34 HydrophobicContact CG1-CG2 4.24Å
35S31.5Very low29.8Very low119 Ų119154.6 Ų154.683%0.83281%0.811SS**  trans-133.9117.4162.9-67.10000109.7
36L28.8Very low29.3Very low167 Ų167153.7 Ų153.787%0.87481%0.807SS**  trans-65.3149.6176.1-71.5153.1000112
37G27.2Very low29.2Very low79 Ų79150.2 Ų150.281%0.81480%0.801SS**  trans-174.181.8168.100000112.4
38F27.3Very low28.9Very low208 Ų208146.6 Ų146.691%0.91280%0.795SS**  trans-88.2140.9166.1-103.5-96.8000109.9
39C25.6Very low29.4Very low123 Ų123148.2 Ų148.283%0.83179%0.792SS**  trans-164.6161.9148.2-122.10000110.1
40P30.3Very low29.4Very low109 Ų109145.7 Ų145.771%0.70879%0.794SS**  -114.4177.4-123.713.812.3000113.4
41P31.4Very low29.5Very low113 Ų113145 Ų14573%0.73480%0.797SS**  trans-89.1140.5-179.135.4-30.8000112.5
42Q29.1Very low29.6Very low181 Ų181139.5 Ų139.585%0.84680%0.796SS**  trans-153.6162.9167.3-72.7-64.6-64.400108.4
43P29Very low29.6Very low96 Ų96142.6 Ų142.662%0.62380%0.803SS**  -117.9167-81.919.34000112.1
44Y27.4Very low30.1Very low210 Ų210142.1 Ų142.182%0.82480%0.8SS**  trans-53.8143.5170.952.7-84.9000112.9
45R28.3Very low30.2Very low242 Ų242141.9 Ų141.991%0.91380%0.801SS**  trans-138.9110.9164.2-134.3-173.5-160177.65.8108.5
46E32.6Very low30Very low165 Ų165141.3 Ų141.377%0.77180%0.797SS**  trans-76.1151.8169.3-68.2177.9138.400110.6
47P32.2Very low29.9Very low128 Ų128139.5 Ų139.583%0.83180%0.796SS**  trans-127.4130.6137.98.313000113
48E30.5Very low30.3Very low166 Ų166141.6 Ų141.678%0.77680%0.796SS**  trans-67172.3170.6-83.2-78.3129.600113.5
49P38Very low30.3Very low108 Ų108139.9 Ų139.970%0.70180%0.795SS**  trans-97.9167.1-141.238.6-37.2000115.1
50S28.3Very low30.2Very low123 Ų123138.2 Ų138.286%0.8679%0.791SS**  trans-137.6139.916173.50000112.9
51V29.9Very low30Very low139 Ų139141.1 Ų141.184%0.84280%0.799SS**  trans-92138.8-165.91780000110.5
52A28.2Very low30.2Very low100 Ų100143.3 Ų143.383%0.82681%0.805SS**  trans-163.1117.3152.100000111.4
53E27.2Very low30.1Very low178 Ų178142.2 Ų142.283%0.83280%0.802SS**  trans-94.2-171.7160.4-61-164.1118.400110.6
54P41Very low30.4Very low109 Ų109143.5 Ų143.571%0.70881%0.813SS**  -117.8-170.6-90.637-17.4000112
55P31.4Very low30.5Very low116 Ų116139.5 Ų139.575%0.75381%0.805SS**  -152.8149.299.835.2-15000118.1
56S25.8Very low30.6Very low108 Ų108138.9 Ų138.976%0.75580%0.803SS**  trans43.4117.9135.4-410000124.4
57C27.5Very low30.4Very low128 Ų128139.7 Ų139.787%0.86581%0.812SS**  trans33.8155.4138.2-56.60000122.3
58P34.7Very low30.3Very low124 Ų124137.4 Ų137.481%0.80580%0.799SS**  cis-147.6-174.73038.9-14.2000117.7
59L27.2Very low30.6Very low172 Ų172135.4 Ų135.490%0.90180%0.804SS**  trans-28.3140.6173.7-65.7154.7000119.2
60A24.9Very low30.1Very low88 Ų88138.6 Ų138.673%0.72780%0.803SS**  161.1143.3111.600000115.3
61L25.7Very low30.3Very low169 Ų169139 Ų13989%0.88581%0.805SS**  trans88.2122.3147.6-71.8155.5000122
62N35Very low30.3Very low160 Ų160138 Ų13886%0.85680%0.799SS**  trans-43.5132.5162.3-85.4-36.7000113.6
63M27.1Very low30.2Very low158 Ų158137.3 Ų137.378%0.77879%0.794SS**  trans-145.3118.3148.3-76-155.476.700112L65M63-L65 HydrophobicContact CE-CD1 4.28Å; M63-L65 PolarHBondContact O-N 3.42Å
64S35.3Very low30.5Very low122 Ų122135 Ų13585%0.85379%0.794SS**  trans-61.5108.5158-75.80000110.6
65L30.2Very low29.9Very low126 Ų126132.5 Ų132.566%0.6679%0.788SS**  trans-148.3116.5163.3-72.4177.3000109M63M63-L65 HydrophobicContact CE-CD1 4.28Å; M63-L65 PolarHBondContact O-N 3.42Å
66R30.6Very low29.9Very low230 Ų230133.3 Ų133.387%0.86879%0.794SS**  53.5112.1105.6-74.1-176.6175.4-1460.4113.2S68R66-S68 PolarHBondContact O-N 3.42Å
67D27.9Very low30Very low182 Ų182134.1 Ų134.197%0.97380%0.798SS**  trans-36.2105.6168.8-84.3-74.9000111.8
68S29.4Very low30.2Very low79 Ų79135 Ų13555%0.55280%0.799SS**  trans-109.6123.1162.1-174.40000107.2R66 Y70R66-S68 PolarHBondContact O-N 3.42Å; S68-Y70 VanDerWaalsContact O-CD1 3.28Å; S68-Y70 WeakPolarHBondContact O-CD1 3.42Å; S68-Y70 WeakPolarHBondContact O-CE1 3.36Å; S68-Y70 PolarHBondContact O-N 3.34Å
69S37.6Very low29.9Very low125 Ų125135.1 Ų135.187%0.87480%0.797SS**  trans-63.597.3167.449.20000109.6
70Y28.2Very low29.9Very low174 Ų174131.7 Ų131.768%0.68279%0.793SS**  trans-128.7130.2159.648.2-93.3000109S68 V72S68-Y70 VanDerWaalsContact O-CD1 3.28Å; S68-Y70 WeakPolarHBondContact O-CD1 3.42Å; S68-Y70 WeakPolarHBondContact O-CE1 3.36Å; S68-Y70 PolarHBondContact O-N 3.34Å; Y70-V72 HydrophobicContact CD2-CG2 3.78Å; Y70-V72 HydrophobicContact CE2-CG2 3.96Å; Y70-V72 PolarHBondContact O-N 3.48Å
71S31.6Very low30.1Very low131 Ų131135.5 Ų135.592%0.91680%0.796SS**  trans-68.2115173.5-58.10000108.4
72V29.5Very low30.4Very low118 Ų118134.2 Ų134.272%0.71579%0.789SS**PPolyproline II helixtrans-100.2121.7161-1760000106.3Y70Y70-V72 HydrophobicContact CD2-CG2 3.78Å; Y70-V72 HydrophobicContact CE2-CG2 3.96Å; Y70-V72 PolarHBondContact O-N 3.48Å
73A26.8Very low30.2Very low86 Ų86132.6 Ų132.671%0.71179%0.788SS**PPolyproline II helixtrans-64.2140.2174.800000110.1G75A73-G75 PolarHBondContact O-N 3.35Å
74P32.9Very low30.5Very low130 Ų130130 Ų13084%0.84479%0.785SS**PPolyproline II helixtrans-80.5118.2170.230.3-27.7000109.7
75G28.4Very low30.3Very low56 Ų56133 Ų13358%0.57779%0.785SS**PPolyproline II helixtrans-70.1161.9154.900000110.5A73 C77A73-G75 PolarHBondContact O-N 3.35Å; G75-C77 PolarHBondContact O-N 2.87Å
76P30.7Very low30.5Very low134 Ų134134.3 Ų134.387%0.8779%0.793SS**PPolyproline II helixtrans-76.3116.3-159.230.1-33.3000111.8
77C28.7Very low30.6Very low124 Ų124132.2 Ų132.284%0.83880%0.796SS**  trans-83.5113.9158.5-73.90000107.9G75 V79G75-C77 PolarHBondContact O-N 2.87Å; C77-V79 PolarHBondContact O-N 3.38Å
78V30.8Very low30.8Very low146 Ų146125.8 Ų125.889%0.88577%0.772SS**  trans-41.8129.7171.8-88.80000112.1A80V78-A80 PolarHBondContact O-N 3.11Å
79V28.8Very low30.8Very low128 Ų128128 Ų12878%0.77679%0.785SS**  trans-70.3111.2179-146.60000108.1C77C77-V79 PolarHBondContact O-N 3.38Å
80A28.1Very low30.7Very low99 Ų99130.6 Ų130.682%0.81879%0.788SS**  trans-89.1110.5157.400000107.1V78V78-A80 PolarHBondContact O-N 3.11Å
81Q28Very low30.7Very low168 Ų168128.3 Ų128.379%0.78579%0.792SS**  trans-57.7143.9177.7-139.781.9-5.600111.1
82L32.8Very low30.8Very low142 Ų142129.5 Ų129.574%0.74379%0.788SS**  trans-52.6174.9-177.1-64.4156.8000115.2
83P30.1Very low31.1Very low126 Ų126129.8 Ų129.882%0.81879%0.792SS**  -129.7147.293.422.6-5.3000114.7
84S34.7Very low31.4Very low103 Ų103134.1 Ų134.172%0.7280%0.798SS**  trans-63.5116.1174.4-34.30000110.4
85E30.2Very low31.5Very low185 Ų185132.4 Ų132.486%0.86479%0.789SS**  trans-134.8136.8159.3-68.5-156.7135.500111.3
86D35.4Very low31.8Very low155 Ų155141.1 Ų141.183%0.82981%0.805SS**  trans-52.9121.7-177.4-165.1-95.3000112.2
87M32.3Very low32Very low186 Ų186142.1 Ų142.192%0.91680%0.803SS**  trans-113.689.7172.3-78.6-71.2-157.900109.2
88G32.6Very low32.5Very low47 Ų47144 Ų14449%0.48580%0.799SS.*  trans-58.6-176.4167.300000114.2L90G88-L90 PolarHBondContact O-N 3.42Å
89P29.7Very low32.6Very low126 Ų126140.1 Ų140.182%0.81879%0.788SS**SBendtrans-63.4131.4-167.824.2-31.7000112.1T91P89-T91 PolarHBondContact O-N 3.08Å
90L33.5Very low32.7Very low179 Ų179141.5 Ų141.594%0.93778%0.784SS**  trans-41.697.2172.3-74.8145.5000111.7G88G88-L90 PolarHBondContact O-N 3.42Å
91T29Very low32.9Very low125 Ų125144.3 Ų144.377%0.76778%0.784SS**  trans-76.9123.4163.150.30000108.5P89 P93P89-T91 PolarHBondContact O-N 3.08Å; T91-P93 VanDerWaalsContact O-CD 3.26Å; T91-P93 WeakPolarHBondContact O-CD 3.45Å
92D33.5Very low33.3Very low156 Ų156146.7 Ų146.783%0.83479%0.786SS**  trans-50.3121.3170.7-89.5-59000111.5Q94D92-Q94 PolarHBondContact O-N 3.27Å
93P35.8Very low33.2Very low124 Ų124145.2 Ų145.281%0.80578%0.784SS**  trans-78107.9160.8-11.929.8000108.7T91T91-P93 VanDerWaalsContact O-CD 3.26Å; T91-P93 WeakPolarHBondContact O-CD 3.45Å
94Q33Very low33.3Very low177 Ų177148.8 Ų148.883%0.82779%0.786SS**  trans-52137.5171.8-83.5179.6-39.200113D92D92-Q94 PolarHBondContact O-N 3.27Å
95S36.3Very low33.2Very low95 Ų95148.8 Ų148.866%0.66478%0.776SS**  trans51.1100.4140.2610000119
96R33.2Very low33.4Very low239 Ų239149.3 Ų149.390%0.90278%0.776SS**  trans-123.3100.5135.5-78.8-178.8121.1165.8-0.6108.7H98R96-H98 PolarHBondContact O-N 3.11Å; R96-H98 VanDerWaalsContact O-N 3.12Å
97D34.7Very low33.9Very low154 Ų154145.5 Ų145.582%0.82476%0.757SS**  trans-58.1105.3167.6-115.1-67.9000108.8
98H40.9Very low34.4Very low165 Ų165142.6 Ų142.676%0.76475%0.751SS**  trans-113.4106.1157.8-102-84.3000107.2R96 F100R96-H98 PolarHBondContact O-N 3.11Å; R96-H98 VanDerWaalsContact O-N 3.12Å; H98-F100 PolarHBondContact O-N 3.44Å
99G31.9Very low35.1Very low64 Ų64147.7 Ų147.766%0.6677%0.766SS**  trans-35.5119.3-171.900000113.6L101G99-L101 PolarHBondContact O-N 3.23Å
100F31.9Very low35.7Very low157 Ų157144.2 Ų144.269%0.68975%0.752SS**  trans-68.395.8165-171.3-101.3000107.3H98 R102H98-F100 PolarHBondContact O-N 3.44Å; F100-R102 VanDerWaalsContact C-N 3.28Å; F100-R102 HydrophobicContact CD1-CB 4.46Å; F100-R102 HydrophobicContact CD1-CG 3.5Å; F100-R102 VanDerWaalsContact CD1-CG 3.5Å; F100-R102 HydrophobicContact CE1-CG 3.68Å; F100-R102 PolarHBondContact O-N 3.18Å
101L32.6Very low36.4Very low157 Ų157143.3 Ų143.382%0.82275%0.749SS**  trans-59.499.7163.9-72.6172.5000106.9G99 T103G99-L101 PolarHBondContact O-N 3.23Å; L101-T103 PolarHBondContact O-N 2.75Å
102R35.3Very low37Very low218 Ų218141.2 Ų141.282%0.82374%0.739SS**  trans-67.578.5164.7-72.8-168.9176.4-1761.5107F100 K104F100-R102 VanDerWaalsContact C-N 3.28Å; F100-R102 HydrophobicContact CD1-CB 4.46Å; F100-R102 HydrophobicContact CD1-CG 3.5Å; F100-R102 VanDerWaalsContact CD1-CG 3.5Å; F100-R102 HydrophobicContact CE1-CG 3.68Å; F100-R102 PolarHBondContact O-N 3.18Å; R102-K104 PolarHBondContact O-N 2.72Å
103T29.9Very low37.8Very low112 Ų112140 Ų14069%0.68774%0.74SS**  trans-64.2109161.3-50.10000105.6L101 M105L101-T103 PolarHBondContact O-N 2.75Å; T103-M105 VanDerWaalsContact C-N 3.26Å; T103-M105 PolarHBondContact O-N 2.73Å
104K32.4Very low38.6Very low201 Ų201139.2 Ų139.287%0.87474%0.737SS**  trans-58.495.4169-78.2-178177.7176.40106.7R102 K106R102-K104 PolarHBondContact O-N 2.72Å; K104-K106 PolarHBondContact O-N 2.88Å; K104-K106 VanDerWaalsContact O-N 3.08Å
105M32.4Very low39.9Very low103 Ų103134.3 Ų134.351%0.50773%0.734SS.*  trans-71.5105.4177.2-156.599.291.300106.9T103 V107T103-M105 VanDerWaalsContact C-N 3.26Å; T103-M105 PolarHBondContact O-N 2.73Å; M105-V107 PolarHBondContact O-N 3.29Å
106K34.8Very low41.4Very low196 Ų196134.1 Ų134.185%0.85273%0.726SS**  trans-72.298.1173-170169.7-176.9-178.20107.2K104 T108K104-K106 PolarHBondContact O-N 2.88Å; K104-K106 VanDerWaalsContact O-N 3.08Å; K106-T108 PolarHBondContact O-N 2.99Å
107V46.6Very low43.5Very low74 Ų74127.3 Ų127.345%0.44871%0.706SS.*  trans-76.9113.3173.2-176.50000106.5M105 L109M105-V107 PolarHBondContact O-N 3.29Å; V107-L109 PolarHBondContact O-N 3.11Å; V107-L109 VanDerWaalsContact O-N 3.12Å
108T42Very low45.9Very low126 Ų126123.2 Ų123.277%0.77368%0.681SS**  trans-71.8100.1164.749.10000107K106 G110K106-T108 PolarHBondContact O-N 2.99Å; T108-G110 PolarHBondContact O-N 3.31Å; T108-G110 VanDerWaalsContact O-N 3.15Å
109L47Very low48Very low154 Ų154119.2 Ų119.281%0.80667%0.669SS**  trans-68.1103.1161.6-70.8163.4000105.5V107V107-L109 PolarHBondContact O-N 3.11Å; V107-L109 VanDerWaalsContact O-N 3.12Å
110G42.7Very low50.5Low52 Ų52116.1 Ų116.154%0.53664%0.637SS.*  trans-86.3119.3168.500000107.5T108 S112T108-G110 PolarHBondContact O-N 3.31Å; T108-G110 VanDerWaalsContact O-N 3.15Å; G110-S112 PolarHBondContact O-N 3.42Å
111D47.9Very low53Low161 Ų161114.7 Ų114.786%0.86163%0.632SS**  trans-72.7103.5169-64.4-67.4000108.6
112S41.4Very low55.5Low80 Ų80111.4 Ų111.456%0.55962%0.615SS**  trans-148.8139.4167-780000112.3G110 S114G110-S112 PolarHBondContact O-N 3.42Å; S112-S114 PolarHBondContact O-N 3.06Å
113P50.8Low57.8Low131 Ų131103.5 Ų103.585%0.85159%0.592SS**SBendtrans-89.473.7-170.535.6-32.7000110.7
114S53.7Low60.5Low108 Ų108104.4 Ų104.476%0.75559%0.588SS**SBendtrans-16154.9168.4-59.30000112.9S112 D116S112-S114 PolarHBondContact O-N 3.06Å; S114-D116 PolarHBondContact O-N 3.37Å
115G59.1Low62.9Low73 Ų73100.8 Ų100.875%0.75357%0.573SS**  trans52.464.3166.900000114.6L117G115-L117 PolarHBondContact O-N 3.22Å
116D67.3Low65.5Low92 Ų9298.4 Ų98.449%0.49257%0.57SS.*  trans-59.8128-167.2-59.3-44.5000114S114S114-D116 PolarHBondContact O-N 3.37Å
117L79Confident67.8Low95 Ų9591 Ų9150%0.49754%0.538SS..  trans-85.9141.2171.2-60.6175.3000110.2G115 T119 A126 F127 T128G115-L117 PolarHBondContact O-N 3.22Å; L117-T119 PolarHBondContact O-N 3.49Å; L117-A126 HydrophobicContact CB-CB 3.89Å; L117-A126 HydrophobicContact CD1-CB 3.78Å; L117-A126 HydrophobicContact CG-CB 4.48Å; L117-F127 CarbonylContact C-O 2.8Å; L117-F127 WeakPolarHBondContact CA-O 3.48Å; L117-T128 HydrophobicContact CD2-CG2 3.74Å
118F83.8Confident69.6Low68 Ų6891.4 Ų91.430%0.29854%0.54SS..EExtended strand (participates in β ladder)trans-76.8110.8173.7-63.6-87.2000110.1A126 F127 Y129 Q130 L133F118-A126 CarbonylContact O-C 3.55Å; F118-F127 HydrophobicContact CB-CB 4.46Å; F118-F127 PolarHBondContact N-O 3.14Å; F118-F127 WeakPolarHBondContact O-CD2 3.43Å; F118-F127 PolarHBondContact O-N 3.36Å; F118-Y129 VanDerWaalsContact CD2-C 3.42Å; F118-Q130 HydrophobicContact CD1-CB 3.86Å; F118-Q130 HydrophobicContact CD1-CG 4.06Å; F118-Q130 HydrophobicContact CD2-CB 4.31Å; F118-Q130 HydrophobicContact CE1-CB 3.66Å; F118-Q130 HydrophobicContact CE1-CG 4Å; F118-Q130 HydrophobicContact CE2-CB 4.13Å; F118-Q130 VanDerWaalsContact CE2-N 3.33Å; F118-Q130 HydrophobicContact CG-CB 4.18Å; F118-Q130 HydrophobicContact CZ-CB 3.81Å; F118-L133 HydrophobicContact CB-CB 4.01Å; F118-L133 HydrophobicContact CB-CD2 3.81Å
119T85.3Confident71.4Confident81 Ų8191.6 Ų91.650%0.49753%0.528SS..EExtended strand (participates in β ladder)trans-93.3143.3-177.955.20000112.4L117 K125 A126 L133L117-T119 PolarHBondContact O-N 3.49Å; T119-K125 CarbonylContact C-O 3.58Å; T119-K125 WeakPolarHBondContact CA-O 3.49Å; T119-A126 HydrophobicContact CG2-CB 4.09Å; T119-L133 WeakPolarHBondContact O-CD2 3.39Å
120C85.3Confident73Confident0 Ų088.6 Ų88.60%051%0.509CS..  trans-84.3116.8172.7175.70000110.1I122 Q124 K125 F127 L133 H136 M137 H140C120-I122 PolarHBondContact O-N 2.98Å; C120-I122 VanDerWaalsContact O-N 3.13Å; C120-Q124 WeakPolarHBondContact O-CA 3.5Å; C120-Q124 PolarHBondContact O-N 2.8Å; C120-K125 HydrophobicContact CB-CB 4.48Å; C120-K125 WeakPolarHBondContact CB-O 3.27Å; C120-K125 PolarHBondContact N-O 2.84Å; C120-F127 HydrophobicContact CB-CE2 4.29Å; C120-L133 HydrophobicContact CB-CD1 3.67Å; C120-H136 VanDerWaalsContact SG-CD2 3.54Å; C120-H136 PolarHBondContact SG-NE2 3.45Å; C120-M137 HydrophobicContact CB-SD 4.44Å; C120-H140 PolarHBondContact SG-NE2 2.91Å
121H84.3Confident74.7Confident126 Ų12694.7 Ų94.758%0.58352%0.516SS*.THydrogen-bonded Turntrans-66.1-16.1-179.669.581000114.3M137H121-M137 WeakPolarHBondContact NE2-CE 3.43Å
122I83.8Confident76.3Confident89 Ų8989.6 Ų89.646%0.45649%0.488SS..THydrogen-bonded Turntrans-86.9-43.5-178.5-56.9179.2000111.5C120 M137 H140C120-I122 PolarHBondContact O-N 2.98Å; C120-I122 VanDerWaalsContact O-N 3.13Å; I122-M137 HydrophobicContact CD1-CE 3.67Å; I122-M137 HydrophobicContact CG1-CE 4.13Å; I122-H140 HydrophobicContact CD1-CB 3.65Å
123C85.3Confident78.3Confident51 Ų5186.9 Ų86.935%0.34547%0.467SS..THydrogen-bonded Turntrans-126.410.4-175.370.20000114.2K125 H136C123-K125 PolarHBondContact O-N 3.14Å; C123-H136 PolarHBondContact SG-CE1 3.26Å; C123-H136 PolarHBondContact SG-NE2 3.02Å
124Q86.3Confident79.7Confident131 Ų13184.2 Ų84.261%0.61245%0.445SS*.  trans55.615.8177.5-56.4-60.7-13.500115.5C120 A126C120-Q124 WeakPolarHBondContact O-CA 3.5Å; C120-Q124 PolarHBondContact O-N 2.8Å; Q124-A126 PolarHBondContact O-N 3.02Å
125K82.9Confident80.8Confident126 Ų12684.6 Ų84.655%0.54843%0.43SS..  trans-69130.1174.1-74-173.9-179.9-174.90110.9T119 C120 C123 F127T119-K125 CarbonylContact C-O 3.58Å; T119-K125 WeakPolarHBondContact CA-O 3.49Å; C120-K125 HydrophobicContact CB-CB 4.48Å; C120-K125 WeakPolarHBondContact CB-O 3.27Å; C120-K125 PolarHBondContact N-O 2.84Å; C123-K125 PolarHBondContact O-N 3.14Å; K125-F127 HydrophobicContact CB-CE2 3.77Å; K125-F127 HydrophobicContact CB-CZ 3.96Å; K125-F127 WeakPolarHBondContact O-CD2 3.33Å; K125-F127 WeakPolarHBondContact O-CE2 3.34Å
126A87.3Confident81.9Confident53 Ų5382.5 Ų82.544%0.43840%0.401SS..EExtended strand (participates in β ladder)trans-93.3141.8177.800000111.7L117 F118 T119 Q124L117-A126 HydrophobicContact CB-CB 3.89Å; L117-A126 HydrophobicContact CD1-CB 3.78Å; L117-A126 HydrophobicContact CG-CB 4.48Å; F118-A126 CarbonylContact O-C 3.55Å; T119-A126 HydrophobicContact CG2-CB 4.09Å; Q124-A126 PolarHBondContact O-N 3.02Å
127F82.9Confident82.5Confident41 Ų4179 Ų7918%0.1838%0.382CS..EExtended strand (participates in β ladder)trans-131.6141.2-178.7-62.7-86.1000110.6L117 F118 C120 K125 Y129 M132 L133 H136L117-F127 CarbonylContact C-O 2.8Å; L117-F127 WeakPolarHBondContact CA-O 3.48Å; F118-F127 HydrophobicContact CB-CB 4.46Å; F118-F127 PolarHBondContact N-O 3.14Å; F118-F127 WeakPolarHBondContact O-CD2 3.43Å; F118-F127 PolarHBondContact O-N 3.36Å; C120-F127 HydrophobicContact CB-CE2 4.29Å; K125-F127 HydrophobicContact CB-CE2 3.77Å; K125-F127 HydrophobicContact CB-CZ 3.96Å; K125-F127 WeakPolarHBondContact O-CD2 3.33Å; K125-F127 WeakPolarHBondContact O-CE2 3.34Å; F127-Y129 VanDerWaalsContact C-N 3.27Å; F127-Y129 PolarHBondContact O-N 3.27Å; F127-M132 HydrophobicContact CB-CB 4.08Å; F127-M132 HydrophobicContact CD1-CB 3.85Å; F127-M132 HydrophobicContact CG-CB 4.24Å; F127-L133 HydrophobicContact CB-CB 4.32Å; F127-L133 HydrophobicContact CD2-CB 3.96Å; F127-L133 HydrophobicContact CD2-CD1 3.8Å; F127-L133 HydrophobicContact CD2-CG 4.49Å; F127-L133 HydrophobicContact CE2-CD1 3.98Å; F127-L133 HydrophobicContact CG-CB 4.3Å; F127-H136 HydrophobicContact CE1-CB 3.93Å; F127-H136 HydrophobicContact CE2-CB 3.81Å; F127-H136 AromaticContact CE2-CD2 3.53Å; F127-H136 AromaticContact CE2-CG 3.58Å; F127-H136 HydrophobicContact CZ-CB 3.39Å; F127-H136 AromaticContact CZ-CD2 3.67Å; F127-H136 AromaticContact CZ-CG 3.23Å; F127-H136 AromaticContact CZ-ND1 3.62Å
128T84.5Confident82.3Confident82 Ų8279 Ų7950%0.50338%0.378SS..SBendtrans-71.4-20.8179.6510000113.9L117L117-T128 HydrophobicContact CD2-CG2 3.74Å
129Y79.9Confident81.9Confident130 Ų13079 Ų7951%0.5139%0.386SS..SBendtrans-136.7140.8-179.9-56.1-73.8000111.7F118 F127 R131 M132 L133F118-Y129 VanDerWaalsContact CD2-C 3.42Å; F127-Y129 VanDerWaalsContact C-N 3.27Å; F127-Y129 PolarHBondContact O-N 3.27Å; Y129-R131 PolarHBondContact O-N 3.43Å; Y129-M132 HydrophobicContact CD2-CE 3.81Å; Y129-M132 HydrophobicContact CD2-SD 3.95Å; Y129-M132 HydrophobicContact CE2-CE 4.33Å; Y129-M132 WeakPolarHBondContact O-CA 3.32Å; Y129-M132 WeakPolarHBondContact O-CB 3.23Å; Y129-M132 PolarHBondContact O-N 3.07Å; Y129-L133 PolarHBondContact O-N 3.29Å
130Q79.6Confident81.5Confident90 Ų9078.1 Ų78.142%0.42138%0.376SS..Hα-helixtrans-54.6-38.4177.2-166.4-179.4-0.400112.9F118 M132 L133 N134F118-Q130 HydrophobicContact CD1-CB 3.86Å; F118-Q130 HydrophobicContact CD1-CG 4.06Å; F118-Q130 HydrophobicContact CD2-CB 4.31Å; F118-Q130 HydrophobicContact CE1-CB 3.66Å; F118-Q130 HydrophobicContact CE1-CG 4Å; F118-Q130 HydrophobicContact CE2-CB 4.13Å; F118-Q130 VanDerWaalsContact CE2-N 3.33Å; F118-Q130 HydrophobicContact CG-CB 4.18Å; F118-Q130 HydrophobicContact CZ-CB 3.81Å; Q130-M132 PolarHBondContact O-N 3.35Å; Q130-L133 PolarHBondContact O-N 2.95Å; Q130-N134 PolarHBondContact O-N 3.42Å
131R79Confident80.6Confident180 Ų18083.3 Ų83.368%0.67940%0.404SS*.Hα-helixtrans-58.6-32.6175.767.9-179.9179.3151.3-1.3113.1Y129 R135Y129-R131 PolarHBondContact O-N 3.43Å; R131-R135 WeakPolarHBondContact O-CB 3.48Å; R131-R135 PolarHBondContact O-N 2.84Å; R131-R135 VanDerWaalsContact O-N 3.08Å
132M81.5Confident79.6Confident55 Ų5583.4 Ų83.427%0.27141%0.408SS..Hα-helixtrans-75.7-41.4178.4-65.4-174.8171.400110.7F127 Y129 Q130 R135 H136F127-M132 HydrophobicContact CB-CB 4.08Å; F127-M132 HydrophobicContact CD1-CB 3.85Å; F127-M132 HydrophobicContact CG-CB 4.24Å; Y129-M132 HydrophobicContact CD2-CE 3.81Å; Y129-M132 HydrophobicContact CD2-SD 3.95Å; Y129-M132 HydrophobicContact CE2-CE 4.33Å; Y129-M132 WeakPolarHBondContact O-CA 3.32Å; Y129-M132 WeakPolarHBondContact O-CB 3.23Å; Y129-M132 PolarHBondContact O-N 3.07Å; Q130-M132 PolarHBondContact O-N 3.35Å; M132-R135 PolarHBondContact O-N 3.1Å; M132-H136 WeakPolarHBondContact O-CB 3.49Å; M132-H136 PolarHBondContact O-N 3.48Å
133L81.9Confident78.5Confident23 Ų2383 Ų8312%0.1241%0.41CS..Hα-helixtrans-59.1-49.6171.2175.362000110.7F118 T119 C120 F127 Y129 Q130 R135 H136 M137F118-L133 HydrophobicContact CB-CB 4.01Å; F118-L133 HydrophobicContact CB-CD2 3.81Å; T119-L133 WeakPolarHBondContact O-CD2 3.39Å; C120-L133 HydrophobicContact CB-CD1 3.67Å; F127-L133 HydrophobicContact CB-CB 4.32Å; F127-L133 HydrophobicContact CD2-CB 3.96Å; F127-L133 HydrophobicContact CD2-CD1 3.8Å; F127-L133 HydrophobicContact CD2-CG 4.49Å; F127-L133 HydrophobicContact CE2-CD1 3.98Å; F127-L133 HydrophobicContact CG-CB 4.3Å; Y129-L133 PolarHBondContact O-N 3.29Å; Q130-L133 PolarHBondContact O-N 2.95Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 2.95Å; L133-H136 CarbonylContact O-C 3.52Å; L133-H136 WeakPolarHBondContact O-CA 3.47Å; L133-H136 VanDerWaalsContact O-CB 3.31Å; L133-H136 WeakPolarHBondContact O-CB 3.42Å; L133-H136 PolarHBondContact O-N 2.83Å; L133-M137 HydrophobicContact CD1-CG 4.23Å; L133-M137 HydrophobicContact CD1-SD 4.02Å; L133-M137 HydrophobicContact CG-CG 4.39Å; L133-M137 WeakPolarHBondContact O-CG 3.26Å; L133-M137 PolarHBondContact O-N 3.01Å
134N81Confident77.7Confident74 Ų7485.7 Ų85.740%0.39642%0.416SS..Hα-helixtrans-58-41178.1-72.1-15.8000112.6Q130 M137Q130-N134 PolarHBondContact O-N 3.42Å; N134-M137 PolarHBondContact O-N 3.35Å
135R77.9Confident77.1Confident116 Ų11687 Ų8744%0.43842%0.415SS..Hα-helixtrans-64.8-41.4173.2-177178.463.4-175.80.2111.5R131 M132 L133 M137 K138R131-R135 WeakPolarHBondContact O-CB 3.48Å; R131-R135 PolarHBondContact O-N 2.84Å; R131-R135 VanDerWaalsContact O-N 3.08Å; M132-R135 PolarHBondContact O-N 3.1Å; L133-R135 VanDerWaalsContact C-N 3.31Å; L133-R135 PolarHBondContact O-N 2.95Å; R135-M137 VanDerWaalsContact C-N 3.34Å; R135-K138 WeakPolarHBondContact O-CB 3.39Å; R135-K138 PolarHBondContact O-N 2.93Å
136H81.3Confident77.2Confident30 Ų3083.5 Ų83.514%0.13940%0.401CS..Hα-helixtrans-62.8-39.2176.8168.771.9000112.2C120 C123 F127 M132 L133 K138 C139 H140C120-H136 VanDerWaalsContact SG-CD2 3.54Å; C120-H136 PolarHBondContact SG-NE2 3.45Å; C123-H136 PolarHBondContact SG-CE1 3.26Å; C123-H136 PolarHBondContact SG-NE2 3.02Å; F127-H136 HydrophobicContact CE1-CB 3.93Å; F127-H136 HydrophobicContact CE2-CB 3.81Å; F127-H136 AromaticContact CE2-CD2 3.53Å; F127-H136 AromaticContact CE2-CG 3.58Å; F127-H136 HydrophobicContact CZ-CB 3.39Å; F127-H136 AromaticContact CZ-CD2 3.67Å; F127-H136 AromaticContact CZ-CG 3.23Å; F127-H136 AromaticContact CZ-ND1 3.62Å; M132-H136 WeakPolarHBondContact O-CB 3.49Å; M132-H136 PolarHBondContact O-N 3.48Å; L133-H136 CarbonylContact O-C 3.52Å; L133-H136 WeakPolarHBondContact O-CA 3.47Å; L133-H136 VanDerWaalsContact O-CB 3.31Å; L133-H136 WeakPolarHBondContact O-CB 3.42Å; L133-H136 PolarHBondContact O-N 2.83Å; H136-K138 PolarHBondContact O-N 3.5Å; H136-K138 VanDerWaalsContact O-N 3.14Å; H136-C139 WeakPolarHBondContact O-CB 3.43Å; H136-C139 PolarHBondContact O-N 3.27Å; H136-H140 AromaticContact CD2-NE2 3.89Å; H136-H140 AromaticContact CE1-NE2 3.59Å; H136-H140 AromaticContact NE2-CD2 3.77Å; H136-H140 AromaticContact NE2-CE1 3.99Å; H136-H140 AromaticContact NE2-NE2 3.02Å; H136-H140 PolarHBondContact NE2-NE2 2.78Å
137M78.9Confident77Confident19 Ų1986.2 Ų86.29%0.09441%0.407CS..Hα-helixtrans-59.7-26.2178-65.5-50.8-71.700113C120 H121 I122 L133 N134 R135 C139 H140 N141C120-M137 HydrophobicContact CB-SD 4.44Å; H121-M137 WeakPolarHBondContact NE2-CE 3.43Å; I122-M137 HydrophobicContact CD1-CE 3.67Å; I122-M137 HydrophobicContact CG1-CE 4.13Å; L133-M137 HydrophobicContact CD1-CG 4.23Å; L133-M137 HydrophobicContact CD1-SD 4.02Å; L133-M137 HydrophobicContact CG-CG 4.39Å; L133-M137 WeakPolarHBondContact O-CG 3.26Å; L133-M137 PolarHBondContact O-N 3.01Å; N134-M137 PolarHBondContact O-N 3.35Å; R135-M137 VanDerWaalsContact C-N 3.34Å; M137-C139 PolarHBondContact O-N 3.29Å; M137-H140 PolarHBondContact O-N 3.24Å; M137-H140 VanDerWaalsContact O-N 3.16Å; M137-N141 PolarHBondContact O-ND2 3.02Å
138K76.6Confident77.3Confident93 Ų9384.4 Ų84.440%0.40440%0.4SS..THydrogen-bonded Turntrans-62.9-24.9172.7-59.9-178.5176.9-177.20113.1R135 H136 H140 N141 N156R135-K138 WeakPolarHBondContact O-CB 3.39Å; R135-K138 PolarHBondContact O-N 2.93Å; H136-K138 PolarHBondContact O-N 3.5Å; H136-K138 VanDerWaalsContact O-N 3.14Å; K138-H140 VanDerWaalsContact C-N 3.31Å; K138-N141 PolarHBondContact O-N 3.46Å; K138-N156 HydrophobicContact CB-CB 4.1Å; K138-N156 HydrophobicContact CD-CB 4.41Å; K138-N156 WeakPolarHBondContact CD-O 3.4Å; K138-N156 PolarHBondContact NZ-O 3.04Å
139C74.3Confident77.5Confident70 Ų7086.7 Ų86.747%0.47341%0.414SS..THydrogen-bonded Turntrans-70-27176.4-168.40000113H136 M137 N141H136-C139 WeakPolarHBondContact O-CB 3.43Å; H136-C139 PolarHBondContact O-N 3.27Å; M137-C139 PolarHBondContact O-N 3.29Å; C139-N141 VanDerWaalsContact C-N 3.34Å
140H76.9Confident77.9Confident61 Ų6187 Ų8728%0.28242%0.415SS..THydrogen-bonded Turntrans-82.4-15.4179.2-66.9-59.5000113.4C120 I122 H136 M137 K138C120-H140 PolarHBondContact SG-NE2 2.91Å; I122-H140 HydrophobicContact CD1-CB 3.65Å; H136-H140 AromaticContact CD2-NE2 3.89Å; H136-H140 AromaticContact CE1-NE2 3.59Å; H136-H140 AromaticContact NE2-CD2 3.77Å; H136-H140 AromaticContact NE2-CE1 3.99Å; H136-H140 AromaticContact NE2-NE2 3.02Å; H136-H140 PolarHBondContact NE2-NE2 2.78Å; M137-H140 PolarHBondContact O-N 3.24Å; M137-H140 VanDerWaalsContact O-N 3.16Å; K138-H140 VanDerWaalsContact C-N 3.31Å
141N66.3Low78.3Confident110 Ų11085.9 Ų85.959%0.58842%0.417SS*.SBendtrans-98.5-1.7-175.4-73-88.9000112.9M137 K138 C139 V143M137-N141 PolarHBondContact O-ND2 3.02Å; K138-N141 PolarHBondContact O-N 3.46Å; C139-N141 VanDerWaalsContact C-N 3.34Å; N141-V143 VanDerWaalsContact O-CG2 3.26Å; N141-V143 WeakPolarHBondContact O-CG2 3.38Å; N141-V143 PolarHBondContact O-N 3.02Å
142D62.6Low78.4Confident127 Ų12779.7 Ų79.768%0.67941%0.409SS*.  trans49.40.9-176.3-74.9-47.5000117.5K144D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 2.84Å
143V62.4Low78.4Confident82 Ų8282.9 Ų82.950%0.49742%0.421SS..  trans-76.582176.8-169.20000109.3N141 R145N141-V143 VanDerWaalsContact O-CG2 3.26Å; N141-V143 WeakPolarHBondContact O-CG2 3.38Å; N141-V143 PolarHBondContact O-N 3.02Å; V143-R145 HydrophobicContact CG1-CG 3.78Å; V143-R145 PolarHBondContact O-N 3.25Å; V143-R145 VanDerWaalsContact O-N 3.12Å
144K68.1Low78.4Confident107 Ų10782.4 Ų82.447%0.46542%0.421SS..  trans-74.194.2168.2-75.2161.6173.6170.70109.4D142 H146 G154 F155D142-K144 VanDerWaalsContact C-N 3.28Å; D142-K144 PolarHBondContact O-N 2.84Å; K144-H146 VanDerWaalsContact C-N 3.29Å; K144-H146 PolarHBondContact O-N 2.83Å; K144-G154 VanDerWaalsContact CD-O 3.27Å; K144-G154 WeakPolarHBondContact CD-O 3.46Å; K144-F155 CarbonylContact C-O 3.56Å
145R73.6Confident78.6Confident157 Ų15780.3 Ų80.359%0.59241%0.409SS*.  trans-74.1-17.8-175.5-62.3-176.8-174.5-121.3-1.2113.9V143 F155V143-R145 HydrophobicContact CG1-CG 3.78Å; V143-R145 PolarHBondContact O-N 3.25Å; V143-R145 VanDerWaalsContact O-N 3.12Å; R145-F155 PolarHBondContact N-O 2.79Å
146H83.9Confident78.6Confident53 Ų5376.5 Ų76.525%0.24540%0.397CS..EExtended strand (participates in β ladder)trans-116.6102.5-172.6-56.7-64000110.4K144 G154 F155 D157 T158 L161K144-H146 VanDerWaalsContact C-N 3.29Å; K144-H146 PolarHBondContact O-N 2.83Å; H146-G154 CarbonylContact O-C 3.53Å; H146-G154 WeakPolarHBondContact O-CA 3.33Å; H146-F155 HydrophobicContact CB-CB 4.31Å; H146-F155 PolarHBondContact N-O 2.86Å; H146-F155 VanDerWaalsContact N-O 3.11Å; H146-F155 PolarHBondContact O-N 3.04Å; H146-D157 VanDerWaalsContact CD2-C 3.45Å; H146-T158 PolarHBondContact CD2-N 3.32Å; H146-T158 WeakPolarHBondContact CE1-CG2 3.42Å; H146-L161 HydrophobicContact CB-CB 4.2Å; H146-L161 HydrophobicContact CB-CD2 3.82Å
147L84.9Confident78.5Confident110 Ų11077.1 Ų77.158%0.57640%0.402SS*.EExtended strand (participates in β ladder)trans-92.7142.9-178-54.3-179.9000111.1L161L147-L161 WeakPolarHBondContact O-CD2 3.23Å
148C87.7Confident78.7Confident4 Ų479.3 Ų79.33%0.02742%0.416CS..  trans-76.7127.2170.5-174.10000110.4Y150 G152 K153 F155 L161 H164C148-Y150 VanDerWaalsContact C-N 3.28Å; C148-Y150 PolarHBondContact O-N 3.43Å; C148-G152 WeakPolarHBondContact O-CA 3.3Å; C148-G152 PolarHBondContact O-N 3.42Å; C148-K153 HydrophobicContact CB-CB 4.41Å; C148-K153 WeakPolarHBondContact CB-O 3.29Å; C148-K153 PolarHBondContact N-O 2.98Å; C148-F155 HydrophobicContact CB-CE2 4.26Å; C148-L161 HydrophobicContact CB-CD1 3.83Å; C148-H164 PolarHBondContact SG-CD2 3.39Å; C148-H164 PolarHBondContact SG-NE2 2.89Å
149T89.5Confident79.1Confident130 Ų13080.6 Ų80.680%0.79842%0.422SS*.THydrogen-bonded Turntrans-69.1-26.4178.451.60000113
150Y87.1Confident79.6Confident137 Ų13778.9 Ų78.954%0.53741%0.408SS..THydrogen-bonded Turntrans-80-33-179.2-65-88.4000113.5C148 V165 H168 T169C148-Y150 VanDerWaalsContact C-N 3.28Å; C148-Y150 PolarHBondContact O-N 3.43Å; Y150-V165 HydrophobicContact CD2-CG1 4.39Å; Y150-V165 HydrophobicContact CE2-CG1 3.83Å; Y150-H168 HydrophobicContact CD1-CB 3.96Å; Y150-H168 HydrophobicContact CD2-CB 3.97Å; Y150-H168 AromaticContact CD2-CD2 3.94Å; Y150-H168 HydrophobicContact CE1-CB 4.35Å; Y150-H168 HydrophobicContact CE2-CB 4.38Å; Y150-H168 HydrophobicContact CG-CB 3.75Å; Y150-H168 AromaticContact CG-CD2 3.87Å; Y150-H168 AromaticContact CG-CG 3.72Å; Y150-T169 HydrophobicContact CE2-CG2 4.45Å
151C88.3Confident80.1Confident66 Ų6677.4 Ų77.445%0.44640%0.402SS..THydrogen-bonded Turntrans-140.37.3-171.468.10000114.9K153 H164 H168C151-K153 PolarHBondContact O-N 3.06Å; C151-H164 PolarHBondContact SG-NE2 3.47Å; C151-H168 PolarHBondContact SG-NE2 2.81Å; C151-H168 VanDerWaalsContact SG-NE2 3.37Å
152G81Confident81.2Confident50 Ų5079.1 Ų79.152%0.51540%0.404SS..  trans69-3179.400000115.5C148 G154C148-G152 WeakPolarHBondContact O-CA 3.3Å; C148-G152 PolarHBondContact O-N 3.42Å; G152-G154 PolarHBondContact O-N 3Å
153K82.9Confident82.4Confident122 Ų12277.3 Ų77.353%0.5339%0.388SS..  trans-63.7128.4-176.3-171.1170.7-176.5173.20111.6C148 C151 F155C148-K153 HydrophobicContact CB-CB 4.41Å; C148-K153 WeakPolarHBondContact CB-O 3.29Å; C148-K153 PolarHBondContact N-O 2.98Å; C151-K153 PolarHBondContact O-N 3.06Å; K153-F155 HydrophobicContact CB-CE2 4.08Å; K153-F155 HydrophobicContact CB-CZ 4.42Å; K153-F155 HydrophobicContact CD-CE2 4.45Å; K153-F155 HydrophobicContact CD-CZ 3.96Å; K153-F155 HydrophobicContact CG-CE2 3.99Å; K153-F155 HydrophobicContact CG-CZ 3.97Å; K153-F155 VanDerWaalsContact O-CD2 3.32Å; K153-F155 WeakPolarHBondContact O-CD2 2.84Å; K153-F155 WeakPolarHBondContact O-CE2 3.28Å
154G81.8Confident83.7Confident12 Ų1274.8 Ų74.812%0.12437%0.371CS..EExtended strand (participates in β ladder)trans-90.6144.4-179.200000115.1K144 H146 G152K144-G154 VanDerWaalsContact CD-O 3.27Å; K144-G154 WeakPolarHBondContact CD-O 3.46Å; H146-G154 CarbonylContact O-C 3.53Å; H146-G154 WeakPolarHBondContact O-CA 3.33Å; G152-G154 PolarHBondContact O-N 3Å
155F84Confident84.8Confident31 Ų3171.5 Ų71.514%0.13636%0.359CS..EExtended strand (participates in β ladder)trans-129.4152.4-180-61.6-91.5000111.5K144 R145 H146 C148 K153 D160 L161 H164K144-F155 CarbonylContact C-O 3.56Å; R145-F155 PolarHBondContact N-O 2.79Å; H146-F155 HydrophobicContact CB-CB 4.31Å; H146-F155 PolarHBondContact N-O 2.86Å; H146-F155 VanDerWaalsContact N-O 3.11Å; H146-F155 PolarHBondContact O-N 3.04Å; C148-F155 HydrophobicContact CB-CE2 4.26Å; K153-F155 HydrophobicContact CB-CE2 4.08Å; K153-F155 HydrophobicContact CB-CZ 4.42Å; K153-F155 HydrophobicContact CD-CE2 4.45Å; K153-F155 HydrophobicContact CD-CZ 3.96Å; K153-F155 HydrophobicContact CG-CE2 3.99Å; K153-F155 HydrophobicContact CG-CZ 3.97Å; K153-F155 VanDerWaalsContact O-CD2 3.32Å; K153-F155 WeakPolarHBondContact O-CD2 2.84Å; K153-F155 WeakPolarHBondContact O-CE2 3.28Å; F155-D160 HydrophobicContact CB-CB 4.46Å; F155-D160 HydrophobicContact CD1-CB 3.93Å; F155-L161 HydrophobicContact CB-CB 4.13Å; F155-L161 HydrophobicContact CD2-CB 3.96Å; F155-L161 HydrophobicContact CD2-CD1 3.68Å; F155-L161 HydrophobicContact CD2-CG 4.41Å; F155-L161 HydrophobicContact CE2-CD1 3.92Å; F155-L161 HydrophobicContact CG-CB 4.09Å; F155-H164 HydrophobicContact CE1-CB 3.71Å; F155-H164 HydrophobicContact CE2-CB 3.92Å; F155-H164 AromaticContact CE2-CD2 3.34Å; F155-H164 WeakPolarHBondContact CE2-CD2 3.48Å; F155-H164 AromaticContact CE2-CG 3.69Å; F155-H164 HydrophobicContact CZ-CB 3.3Å; F155-H164 AromaticContact CZ-CD2 3.32Å; F155-H164 WeakPolarHBondContact CZ-CD2 3.28Å; F155-H164 AromaticContact CZ-CG 3.16Å; F155-H164 AromaticContact CZ-ND1 3.82Å
156N78.5Confident85.7Confident36 Ų3667 Ų6719%0.19334%0.342CS..SBendtrans-85.5-13.2-179.4-66.9-19.3000113.5K138K138-N156 HydrophobicContact CB-CB 4.1Å; K138-N156 HydrophobicContact CD-CB 4.41Å; K138-N156 WeakPolarHBondContact CD-O 3.4Å; K138-N156 PolarHBondContact NZ-O 3.04Å
157D79.3Confident86Confident43 Ų4368.8 Ų68.823%0.2336%0.357CS..SBendtrans-144.8146.9179.8-167.7-4.1000110.8H146 F159 D160 L161H146-D157 VanDerWaalsContact CD2-C 3.45Å; D157-F159 VanDerWaalsContact C-N 3.26Å; D157-F159 PolarHBondContact O-N 3.28Å; D157-F159 PolarHBondContact OD1-N 2.91Å; D157-D160 PolarHBondContact O-N 3.35Å; D157-L161 PolarHBondContact O-N 3.46Å
158T83.8Confident86.2Confident65 Ų6567.2 Ų67.240%0.39935%0.347SS..Hα-helixtrans-60.9-33.6174.961.30000112.5H146 L161 K162H146-T158 PolarHBondContact CD2-N 3.32Å; H146-T158 WeakPolarHBondContact CE1-CG2 3.42Å; T158-L161 PolarHBondContact O-N 3.15Å; T158-K162 WeakPolarHBondContact O-CB 3.32Å; T158-K162 WeakPolarHBondContact O-CG 3.26Å; T158-K162 PolarHBondContact O-N 2.99Å
159F84.6Confident86.3Confident119 Ų11970.1 Ų70.152%0.52236%0.364SS..Hα-helixtrans-64.2-44.4178.1179.4-94.5000111.5D157 K162 R163D157-F159 VanDerWaalsContact C-N 3.26Å; D157-F159 PolarHBondContact O-N 3.28Å; D157-F159 PolarHBondContact OD1-N 2.91Å; F159-K162 PolarHBondContact O-N 3.42Å; F159-R163 PolarHBondContact O-N 3.35Å
160D84.4Confident86.3Confident35 Ų3566.2 Ų66.219%0.18735%0.35CS..Hα-helixtrans-67.3-39.2178.9-67.2-39.8000111.1F155 D157 R163 H164F155-D160 HydrophobicContact CB-CB 4.46Å; F155-D160 HydrophobicContact CD1-CB 3.93Å; D157-D160 PolarHBondContact O-N 3.35Å; D160-R163 PolarHBondContact O-N 3.49Å; D160-R163 IonicContact OD1-CZ 3.45Å; D160-R163 IonicContact OD1-NH1 3.82Å; D160-R163 IonicContact OD1-NH2 3.4Å; D160-R163 PolarHBondContact OD1-NH2 2.83Å; D160-H164 WeakPolarHBondContact O-CB 3.33Å; D160-H164 PolarHBondContact O-N 2.83Å
161L87.6Confident86.4Confident30 Ų3063.4 Ų63.416%0.15735%0.347CS..Hα-helixtrans-60.5-50.8172.3172.460.8000111.5H146 L147 C148 F155 D157 T158 R163 H164 V165H146-L161 HydrophobicContact CB-CB 4.2Å; H146-L161 HydrophobicContact CB-CD2 3.82Å; L147-L161 WeakPolarHBondContact O-CD2 3.23Å; C148-L161 HydrophobicContact CB-CD1 3.83Å; F155-L161 HydrophobicContact CB-CB 4.13Å; F155-L161 HydrophobicContact CD2-CB 3.96Å; F155-L161 HydrophobicContact CD2-CD1 3.68Å; F155-L161 HydrophobicContact CD2-CG 4.41Å; F155-L161 HydrophobicContact CE2-CD1 3.92Å; F155-L161 HydrophobicContact CG-CB 4.09Å; D157-L161 PolarHBondContact O-N 3.46Å; T158-L161 PolarHBondContact O-N 3.15Å; L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 2.75Å; L161-H164 CarbonylContact O-C 3.25Å; L161-H164 WeakPolarHBondContact O-CA 3.36Å; L161-H164 WeakPolarHBondContact O-CB 3.42Å; L161-H164 PolarHBondContact O-N 2.83Å; L161-V165 HydrophobicContact CD1-CG2 4.05Å; L161-V165 HydrophobicContact CG-CG2 4.47Å; L161-V165 WeakPolarHBondContact O-CG2 3.39Å; L161-V165 PolarHBondContact O-N 2.93Å
162K89.4Confident86.5Confident146 Ų14666.3 Ų66.364%0.63535%0.349SS*.Hα-helixtrans-59.2-39.5178.9-77.4-178.3-178-177.30112.1T158 F159T158-K162 WeakPolarHBondContact O-CB 3.32Å; T158-K162 WeakPolarHBondContact O-CG 3.26Å; T158-K162 PolarHBondContact O-N 2.99Å; F159-K162 PolarHBondContact O-N 3.42Å
163R88.4Confident86.9Confident88 Ų8867.1 Ų67.133%0.33235%0.345SS..Hα-helixtrans-64.4-43.1174.2-178.717963-150.4-12.5111F159 D160 L161 R166 Q185F159-R163 PolarHBondContact O-N 3.35Å; D160-R163 PolarHBondContact O-N 3.49Å; D160-R163 IonicContact OD1-CZ 3.45Å; D160-R163 IonicContact OD1-NH1 3.82Å; D160-R163 IonicContact OD1-NH2 3.4Å; D160-R163 PolarHBondContact OD1-NH2 2.83Å; L161-R163 VanDerWaalsContact C-N 3.28Å; L161-R163 PolarHBondContact O-N 2.75Å; R163-R166 WeakPolarHBondContact O-CB 3.18Å; R163-R166 PolarHBondContact O-N 3.13Å; R163-Q185 HydrophobicContact CG-CG 4.34Å
164H89.9Confident87.3Confident30 Ų3064 Ų6414%0.13933%0.33CS..Hα-helixtrans-62.9-42.6177.3168.364000112.4C148 C151 F155 D160 L161 R166 T167 H168C148-H164 PolarHBondContact SG-CD2 3.39Å; C148-H164 PolarHBondContact SG-NE2 2.89Å; C151-H164 PolarHBondContact SG-NE2 3.47Å; F155-H164 HydrophobicContact CE1-CB 3.71Å; F155-H164 HydrophobicContact CE2-CB 3.92Å; F155-H164 AromaticContact CE2-CD2 3.34Å; F155-H164 WeakPolarHBondContact CE2-CD2 3.48Å; F155-H164 AromaticContact CE2-CG 3.69Å; F155-H164 HydrophobicContact CZ-CB 3.3Å; F155-H164 AromaticContact CZ-CD2 3.32Å; F155-H164 WeakPolarHBondContact CZ-CD2 3.28Å; F155-H164 AromaticContact CZ-CG 3.16Å; F155-H164 AromaticContact CZ-ND1 3.82Å; D160-H164 WeakPolarHBondContact O-CB 3.33Å; D160-H164 PolarHBondContact O-N 2.83Å; L161-H164 CarbonylContact O-C 3.25Å; L161-H164 WeakPolarHBondContact O-CA 3.36Å; L161-H164 WeakPolarHBondContact O-CB 3.42Å; L161-H164 PolarHBondContact O-N 2.83Å; H164-R166 PolarHBondContact O-N 3.47Å; H164-T167 WeakPolarHBondContact O-CB 3.39Å; H164-T167 WeakPolarHBondContact O-CG2 3.48Å; H164-T167 PolarHBondContact O-N 3.27Å; H164-T167 PolarHBondContact O-OG1 3.46Å; H164-H168 AromaticContact CE1-NE2 3.49Å; H164-H168 PolarHBondContact CE1-NE2 3.43Å; H164-H168 AromaticContact NE2-CD2 3.77Å; H164-H168 AromaticContact NE2-NE2 3.22Å; H164-H168 PolarHBondContact NE2-NE2 2.88Å
165V90.2Very high87.7Confident37 Ų3770.9 Ų70.922%0.22436%0.357CS..Hα-helixtrans-55.4-28.8179.6168.20000112.6Y150 L161 T167 H168 T169Y150-V165 HydrophobicContact CD2-CG1 4.39Å; Y150-V165 HydrophobicContact CE2-CG1 3.83Å; L161-V165 HydrophobicContact CD1-CG2 4.05Å; L161-V165 HydrophobicContact CG-CG2 4.47Å; L161-V165 WeakPolarHBondContact O-CG2 3.39Å; L161-V165 PolarHBondContact O-N 2.93Å; V165-T167 PolarHBondContact O-N 3.37Å; V165-T167 VanDerWaalsContact O-N 3.14Å; V165-H168 PolarHBondContact O-N 2.8Å; V165-T169 HydrophobicContact CG1-CG2 4.03Å; V165-T169 PolarHBondContact O-N 3.29Å; V165-T169 VanDerWaalsContact O-N 3.11Å; V165-T169 PolarHBondContact O-OG1 2.97Å
166R92.8Very high88.1Confident62 Ų6270 Ų7023%0.23435%0.354CS..Hα-helixtrans-61.4-20174.6-59.7175.9-172.6165.60.5113.9R163 H164 H168 G170 T184R163-R166 WeakPolarHBondContact O-CB 3.18Å; R163-R166 PolarHBondContact O-N 3.13Å; H164-R166 PolarHBondContact O-N 3.47Å; R166-H168 VanDerWaalsContact C-N 3.31Å; R166-G170 WeakPolarHBondContact O-CA 3.48Å; R166-G170 PolarHBondContact O-N 3.48Å; R166-G170 VanDerWaalsContact O-N 3.11Å; R166-T184 PolarHBondContact NH1-O 3.24Å; R166-T184 VanDerWaalsContact NH1-O 3.14Å
167T89.9Confident88.6Confident92 Ų9272.3 Ų72.356%0.56437%0.373SS*.Hα-helixtrans-74.4-25.8174.568.80000112.1H164 V165H164-T167 WeakPolarHBondContact O-CB 3.39Å; H164-T167 WeakPolarHBondContact O-CG2 3.48Å; H164-T167 PolarHBondContact O-N 3.27Å; H164-T167 PolarHBondContact O-OG1 3.46Å; V165-T167 PolarHBondContact O-N 3.37Å; V165-T167 VanDerWaalsContact O-N 3.14Å
168H90.1Very high89.1Confident77 Ų7774.8 Ų74.836%0.35639%0.386SS..Hα-helixtrans-86.2-44.6176-64.7-64.9000111.3Y150 C151 H164 V165 R166 G170Y150-H168 HydrophobicContact CD1-CB 3.96Å; Y150-H168 HydrophobicContact CD2-CB 3.97Å; Y150-H168 AromaticContact CD2-CD2 3.94Å; Y150-H168 HydrophobicContact CE1-CB 4.35Å; Y150-H168 HydrophobicContact CE2-CB 4.38Å; Y150-H168 HydrophobicContact CG-CB 3.75Å; Y150-H168 AromaticContact CG-CD2 3.87Å; Y150-H168 AromaticContact CG-CG 3.72Å; C151-H168 PolarHBondContact SG-NE2 2.81Å; C151-H168 VanDerWaalsContact SG-NE2 3.37Å; H164-H168 AromaticContact CE1-NE2 3.49Å; H164-H168 PolarHBondContact CE1-NE2 3.43Å; H164-H168 AromaticContact NE2-CD2 3.77Å; H164-H168 AromaticContact NE2-NE2 3.22Å; H164-H168 PolarHBondContact NE2-NE2 2.88Å; V165-H168 PolarHBondContact O-N 2.8Å; R166-H168 VanDerWaalsContact C-N 3.31Å; H168-G170 VanDerWaalsContact C-N 3.29Å; H168-G170 PolarHBondContact O-N 3.13Å
169T89.5Confident89.6Confident64 Ų6473.6 Ų73.639%0.39338%0.379SS..Hα-helixtrans-80.7-10.1-176.962.60000113.8Y150 V165 V171Y150-T169 HydrophobicContact CE2-CG2 4.45Å; V165-T169 HydrophobicContact CG1-CG2 4.03Å; V165-T169 PolarHBondContact O-N 3.29Å; V165-T169 VanDerWaalsContact O-N 3.11Å; V165-T169 PolarHBondContact O-OG1 2.97Å; T169-V171 PolarHBondContact O-N 2.76Å; T169-V171 VanDerWaalsContact O-N 3.08Å; T169-V171 WeakPolarHBondContact OG1-CG2 3.48Å
170G88.4Confident89.9Confident48 Ų4876.2 Ų76.250%0.49540%0.399SS..  trans65.59-176.100000114.4R166 H168 R172R166-G170 WeakPolarHBondContact O-CA 3.48Å; R166-G170 PolarHBondContact O-N 3.48Å; R166-G170 VanDerWaalsContact O-N 3.11Å; H168-G170 VanDerWaalsContact C-N 3.29Å; H168-G170 PolarHBondContact O-N 3.13Å; G170-R172 WeakPolarHBondContact O-CG 3.4Å; G170-R172 PolarHBondContact O-N 3.4Å
171V90.5Very high90.3Very high78 Ų7880.6 Ų80.647%0.47342%0.416SS..  trans-68.3121-177.1174.70000110.5T169 P173T169-V171 PolarHBondContact O-N 2.76Å; T169-V171 VanDerWaalsContact O-N 3.08Å; T169-V171 WeakPolarHBondContact OG1-CG2 3.48Å; V171-P173 WeakPolarHBondContact O-CD 3.47Å
172R89.9Confident90.5Very high128 Ų12880 Ų8048%0.48342%0.416SS..  trans-118.382.3-178-66.3169.690.1108.91.6110.2G170 Y174 A182 F183 T184G170-R172 WeakPolarHBondContact O-CG 3.4Å; G170-R172 PolarHBondContact O-N 3.4Å; R172-Y174 PolarHBondContact O-N 3.41Å; R172-A182 HydrophobicContact CB-CB 3.56Å; R172-A182 VanDerWaalsContact NE-C 3.34Å; R172-A182 PolarHBondContact NE-O 3.11Å; R172-A182 PolarHBondContact NH2-O 3.18Å; R172-F183 CarbonylContact C-O 3.3Å; R172-F183 VanDerWaalsContact C-O 3.3Å; R172-F183 VanDerWaalsContact CA-O 3.27Å; R172-F183 WeakPolarHBondContact CA-O 3.49Å; R172-T184 HydrophobicContact CG-CG2 3.82Å
173P88.4Confident90.6Very high67 Ų6774.6 Ų74.644%0.43539%0.393SS..  trans-73.4-12.1-171.829.2-32.7000113.3V171 F183V171-P173 WeakPolarHBondContact O-CD 3.47Å; P173-F183 WeakPolarHBondContact CD-O 3.48Å
174Y91.4Very high90.7Very high57 Ų5772 Ų7222%0.22439%0.387CS..EExtended strand (participates in β ladder)trans-103.492-174.4-59.6-69000110.2R172 A182 F183 T184 Q185 R186 Y203R172-Y174 PolarHBondContact O-N 3.41Å; Y174-A182 CarbonylContact O-C 3.43Å; Y174-A182 WeakPolarHBondContact O-CA 3.32Å; Y174-F183 WeakPolarHBondContact CB-O 3.16Å; Y174-F183 WeakPolarHBondContact CD2-O 3.44Å; Y174-F183 PolarHBondContact N-O 3.25Å; Y174-F183 PolarHBondContact O-N 3.34Å; Y174-T184 WeakPolarHBondContact CE2-O 3.36Å; Y174-Q185 VanDerWaalsContact CD2-CA 3.47Å; Y174-R186 HydrophobicContact CD1-CB 4.28Å; Y174-R186 HydrophobicContact CE1-CB 3.97Å; Y174-Y203 VanDerWaalsContact CB-OH 3.29Å; Y174-Y203 WeakPolarHBondContact CB-OH 3.46Å; Y174-Y203 AromaticContact CD1-CE1 3.6Å; Y174-Y203 HydrophobicContact CD1-CE1 3.6Å; Y174-Y203 AromaticContact CD1-CZ 3.71Å; Y174-Y203 VanDerWaalsContact CD1-OH 3.23Å; Y174-Y203 WeakPolarHBondContact CD1-OH 3.34Å; Y174-Y203 HydrophobicContact CE1-CE1 4.28Å
175K90.9Very high90.6Very high156 Ų15673.8 Ų73.868%0.67840%0.395SS*.EExtended strand (participates in β ladder)trans-89.9136.3-179.7-61.3-174.2179.6-175.40111.1A182 L189K175-A182 HydrophobicContact CG-CB 4.02Å; K175-L189 VanDerWaalsContact O-CD2 3.32Å; K175-L189 WeakPolarHBondContact O-CD2 3.41Å
176C91.3Very high90.6Very high11 Ų1176.6 Ų76.67%0.07440%0.402CS..  trans-66138.8167.8-173.20000109.2L178 C179 K181 L189 L193C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 PolarHBondContact SG-N 3.41Å; C176-L178 VanDerWaalsContact SG-N 3.42Å; C176-C179 WeakPolarHBondContact CB-O 3.33Å; C176-K181 VanDerWaalsContact CB-O 3.23Å; C176-K181 WeakPolarHBondContact CB-O 3.47Å; C176-K181 PolarHBondContact N-O 2.91Å; C176-L189 HydrophobicContact CB-CD1 3.65Å; C176-L193 WeakPolarHBondContact SG-CD2 3.22Å
177S89.6Confident90.4Very high86 Ų8676.7 Ų76.760%0.60141%0.411SS*.SBendtrans-85.1-9.417656.90000113.1
178L90.4Very high90.5Very high94 Ų9474.4 Ų74.449%0.49240%0.399SS..SBendtrans-111.1-10.8-174.9-59.1179.1000113C176 L193 H197 V199C176-L178 VanDerWaalsContact C-N 3.32Å; C176-L178 PolarHBondContact SG-N 3.41Å; C176-L178 VanDerWaalsContact SG-N 3.42Å; L178-L193 HydrophobicContact CD1-CD2 4.44Å; L178-H197 HydrophobicContact CD1-CB 3.55Å; L178-V199 HydrophobicContact CD1-CB 4.49Å; L178-V199 HydrophobicContact CD1-CG1 4.1Å; L178-V199 HydrophobicContact CD1-CG2 3.58Å
179C92.9Very high90.7Very high40 Ų4070.8 Ų70.827%0.2738%0.382SS..SBendtrans-156.4170.117467.70000110.7C176 K181 H192 H197C176-C179 WeakPolarHBondContact CB-O 3.33Å; C179-K181 PolarHBondContact O-N 3.29Å; C179-H192 PolarHBondContact SG-NE2 3.35Å; C179-H197 PolarHBondContact SG-NE2 2.67Å; C179-H197 VanDerWaalsContact SG-NE2 3.42Å
180D91.5Very high90.8Very high175 Ų17570.5 Ų70.594%0.93638%0.377SS*.SBendtrans-76.38.3-176.7-61.3-45.8000114.6A182D180-A182 PolarHBondContact O-N 2.74Å
181K92.6Very high91Very high126 Ų12671.2 Ų71.255%0.54837%0.374SS..  trans-76.4124.6178.8-65.5-171-179-173.50110.8C176 C179 F183C176-K181 VanDerWaalsContact CB-O 3.23Å; C176-K181 WeakPolarHBondContact CB-O 3.47Å; C176-K181 PolarHBondContact N-O 2.91Å; C179-K181 PolarHBondContact O-N 3.29Å; K181-F183 HydrophobicContact CB-CE2 3.94Å; K181-F183 HydrophobicContact CB-CZ 4.02Å
182A92.7Very high91.1Very high19 Ų1968.3 Ų68.316%0.15736%0.355CS..EExtended strand (participates in β ladder)trans-106.2160.2170.200000111.2R172 Y174 K175 D180R172-A182 HydrophobicContact CB-CB 3.56Å; R172-A182 VanDerWaalsContact NE-C 3.34Å; R172-A182 PolarHBondContact NE-O 3.11Å; R172-A182 PolarHBondContact NH2-O 3.18Å; Y174-A182 CarbonylContact O-C 3.43Å; Y174-A182 WeakPolarHBondContact O-CA 3.32Å; K175-A182 HydrophobicContact CG-CB 4.02Å; D180-A182 PolarHBondContact O-N 2.74Å
183F91.6Very high91.2Very high31 Ų3162.2 Ų62.214%0.13633%0.332CS..EExtended strand (participates in β ladder)trans-136.5152.7-178.5-59-91.6000111.2R172 P173 Y174 K181 Q185 L189 H192R172-F183 CarbonylContact C-O 3.3Å; R172-F183 VanDerWaalsContact C-O 3.3Å; R172-F183 VanDerWaalsContact CA-O 3.27Å; R172-F183 WeakPolarHBondContact CA-O 3.49Å; P173-F183 WeakPolarHBondContact CD-O 3.48Å; Y174-F183 WeakPolarHBondContact CB-O 3.16Å; Y174-F183 WeakPolarHBondContact CD2-O 3.44Å; Y174-F183 PolarHBondContact N-O 3.25Å; Y174-F183 PolarHBondContact O-N 3.34Å; K181-F183 HydrophobicContact CB-CE2 3.94Å; K181-F183 HydrophobicContact CB-CZ 4.02Å; F183-Q185 VanDerWaalsContact C-N 3.34Å; F183-L189 HydrophobicContact CB-CB 4.35Å; F183-L189 HydrophobicContact CD2-CB 3.74Å; F183-L189 HydrophobicContact CD2-CD1 3.49Å; F183-L189 VanDerWaalsContact CD2-CD1 3.49Å; F183-L189 HydrophobicContact CD2-CG 4.18Å; F183-L189 HydrophobicContact CE2-CB 4.4Å; F183-L189 HydrophobicContact CE2-CD1 3.46Å; F183-L189 VanDerWaalsContact CE2-CD1 3.46Å; F183-L189 HydrophobicContact CG-CB 4.18Å; F183-H192 HydrophobicContact CE1-CB 3.92Å; F183-H192 HydrophobicContact CE2-CB 3.92Å; F183-H192 AromaticContact CE2-CD2 3.58Å; F183-H192 AromaticContact CE2-CG 3.71Å; F183-H192 HydrophobicContact CZ-CB 3.38Å; F183-H192 AromaticContact CZ-CD2 3.64Å; F183-H192 AromaticContact CZ-CG 3.27Å; F183-H192 AromaticContact CZ-ND1 3.75Å
184T89.4Confident91.5Very high35 Ų3565.6 Ų65.622%0.21534%0.34CS..SBendtrans-79.9-19.1176.8550000112.6R166 R172 Y174R166-T184 PolarHBondContact NH1-O 3.24Å; R166-T184 VanDerWaalsContact NH1-O 3.14Å; R172-T184 HydrophobicContact CG-CG2 3.82Å; Y174-T184 WeakPolarHBondContact CE2-O 3.36Å
185Q89.3Confident91.6Very high66 Ų6671.2 Ų71.231%0.30837%0.365SS..SBendtrans-134.4148.7-177.2-52.6-174.433.300112.5R163 Y174 F183 S188 L189R163-Q185 HydrophobicContact CG-CG 4.34Å; Y174-Q185 VanDerWaalsContact CD2-CA 3.47Å; F183-Q185 VanDerWaalsContact C-N 3.34Å; Q185-S188 PolarHBondContact O-N 3.12Å; Q185-L189 PolarHBondContact O-N 3.48Å
186R89.7Confident91.8Very high97 Ų9769.1 Ų69.137%0.36636%0.36SS..Hα-helixtrans-61.3-49.9178.9-178.5-178.9169.8145.26.6112.7Y174 S188 L189 E190 Y203Y174-R186 HydrophobicContact CD1-CB 4.28Å; Y174-R186 HydrophobicContact CE1-CB 3.97Å; R186-S188 PolarHBondContact O-N 3.02Å; R186-L189 PolarHBondContact O-N 3.21Å; R186-E190 HydrophobicContact CG-CG 4.5Å; R186-E190 IonicContact CZ-OE1 3.15Å; R186-E190 IonicContact NE-OE1 2.67Å; R186-E190 PolarHBondContact NE-OE1 3.26Å; R186-E190 IonicContact NH2-OE1 2.75Å; R186-E190 PolarHBondContact NH2-OE1 3.44Å; R186-E190 VanDerWaalsContact NH2-OE1 3.15Å; R186-E190 PolarHBondContact O-N 3.41Å; R186-Y203 HydrophobicContact CB-CE2 4.47Å; R186-Y203 HydrophobicContact CG-CD2 3.67Å; R186-Y203 HydrophobicContact CG-CE2 3.43Å; R186-Y203 VanDerWaalsContact CG-CE2 3.43Å; R186-Y203 HydrophobicContact CG-CG 4.41Å; R186-Y203 VanDerWaalsContact CZ-CB 3.48Å; R186-Y203 PolarHBondContact NH2-O 3.47Å
187C88.8Confident91.8Very high64 Ų6471.3 Ų71.343%0.43237%0.37SS..Hα-helixtrans-61.1-32.2-178.752.90000112.5S191C187-S191 WeakPolarHBondContact O-CB 3.46Å; C187-S191 PolarHBondContact O-N 2.65Å; C187-S191 PolarHBondContact O-OG 3.31Å
188S91.9Very high91.9Very high44 Ų4470.3 Ų70.331%0.30837%0.372SS..Hα-helixtrans-66.4-42.7174-52.70000111.4Q185 R186 H192Q185-S188 PolarHBondContact O-N 3.12Å; R186-S188 PolarHBondContact O-N 3.02Å; S188-H192 WeakPolarHBondContact O-CB 3.47Å; S188-H192 PolarHBondContact O-N 3.39Å
189L93.4Very high91.6Very high0 Ų068.6 Ų68.60%037%0.366CS..Hα-helixtrans-65.4-46174.1178.961.6000111.3K175 C176 F183 Q185 R186 S191 H192 L193 Y203K175-L189 VanDerWaalsContact O-CD2 3.32Å; K175-L189 WeakPolarHBondContact O-CD2 3.41Å; C176-L189 HydrophobicContact CB-CD1 3.65Å; F183-L189 HydrophobicContact CB-CB 4.35Å; F183-L189 HydrophobicContact CD2-CB 3.74Å; F183-L189 HydrophobicContact CD2-CD1 3.49Å; F183-L189 VanDerWaalsContact CD2-CD1 3.49Å; F183-L189 HydrophobicContact CD2-CG 4.18Å; F183-L189 HydrophobicContact CE2-CB 4.4Å; F183-L189 HydrophobicContact CE2-CD1 3.46Å; F183-L189 VanDerWaalsContact CE2-CD1 3.46Å; F183-L189 HydrophobicContact CG-CB 4.18Å; Q185-L189 PolarHBondContact O-N 3.48Å; R186-L189 PolarHBondContact O-N 3.21Å; L189-S191 VanDerWaalsContact C-N 3.28Å; L189-S191 PolarHBondContact O-N 2.95Å; L189-H192 WeakPolarHBondContact O-CB 3.4Å; L189-H192 PolarHBondContact O-N 3.41Å; L189-H192 VanDerWaalsContact O-N 3.1Å; L189-L193 HydrophobicContact CD1-CD1 4.02Å; L189-L193 HydrophobicContact CD1-CD2 4.44Å; L189-L193 HydrophobicContact CD1-CG 3.92Å; L189-L193 HydrophobicContact CD2-CD1 4.27Å; L189-L193 HydrophobicContact CG-CD1 3.71Å; L189-L193 HydrophobicContact CG-CG 4.15Å; L189-L193 WeakPolarHBondContact O-CD1 3.05Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.36Å; L189-L193 PolarHBondContact O-N 3.06Å; L189-Y203 VanDerWaalsContact CB-OH 3.3Å; L189-Y203 WeakPolarHBondContact CB-OH 3.5Å; L189-Y203 HydrophobicContact CD2-CE1 4.26Å; L189-Y203 HydrophobicContact CD2-CE2 4.14Å; L189-Y203 WeakPolarHBondContact CD2-OH 3.21Å
190E91.9Very high90.9Very high59 Ų5972.6 Ų72.628%0.27638%0.381SS..Hα-helixtrans-57.9-42.9178.3-73173.4173.300111.5R186 L193 K194 Y203R186-E190 HydrophobicContact CG-CG 4.5Å; R186-E190 IonicContact CZ-OE1 3.15Å; R186-E190 IonicContact NE-OE1 2.67Å; R186-E190 PolarHBondContact NE-OE1 3.26Å; R186-E190 IonicContact NH2-OE1 2.75Å; R186-E190 PolarHBondContact NH2-OE1 3.44Å; R186-E190 VanDerWaalsContact NH2-OE1 3.15Å; R186-E190 PolarHBondContact O-N 3.41Å; E190-L193 PolarHBondContact O-N 3.45Å; E190-K194 WeakPolarHBondContact O-CB 3.29Å; E190-K194 PolarHBondContact O-N 3.4Å; E190-Y203 HydrophobicContact CG-CE2 4.2Å
191S92.3Very high89.9Confident62 Ų6266.9 Ų66.943%0.43435%0.348SS..Hα-helixtrans-64.7-41.6175.1-61.20000112.1C187 L189 K195C187-S191 WeakPolarHBondContact O-CB 3.46Å; C187-S191 PolarHBondContact O-N 2.65Å; C187-S191 PolarHBondContact O-OG 3.31Å; L189-S191 VanDerWaalsContact C-N 3.28Å; L189-S191 PolarHBondContact O-N 2.95Å; S191-K195 WeakPolarHBondContact O-CB 3.29Å; S191-K195 VanDerWaalsContact O-CG 3.26Å; S191-K195 WeakPolarHBondContact O-CG 3.44Å; S191-K195 PolarHBondContact O-N 3.1Å
192H93.5Very high88.8Confident17 Ų1769.9 Ų69.98%0.07936%0.361CS..Hα-helixtrans-61.5-48.6176.3162.372.6000111.6C179 F183 S188 L189 K194 K195 I196 H197C179-H192 PolarHBondContact SG-NE2 3.35Å; F183-H192 HydrophobicContact CE1-CB 3.92Å; F183-H192 HydrophobicContact CE2-CB 3.92Å; F183-H192 AromaticContact CE2-CD2 3.58Å; F183-H192 AromaticContact CE2-CG 3.71Å; F183-H192 HydrophobicContact CZ-CB 3.38Å; F183-H192 AromaticContact CZ-CD2 3.64Å; F183-H192 AromaticContact CZ-CG 3.27Å; F183-H192 AromaticContact CZ-ND1 3.75Å; S188-H192 WeakPolarHBondContact O-CB 3.47Å; S188-H192 PolarHBondContact O-N 3.39Å; L189-H192 WeakPolarHBondContact O-CB 3.4Å; L189-H192 PolarHBondContact O-N 3.41Å; L189-H192 VanDerWaalsContact O-N 3.1Å; H192-K194 VanDerWaalsContact C-N 3.34Å; H192-K194 PolarHBondContact O-N 3.47Å; H192-K195 PolarHBondContact O-N 3.38Å; H192-I196 WeakPolarHBondContact ND1-CG1 3.27Å; H192-I196 WeakPolarHBondContact O-CB 3.31Å; H192-I196 WeakPolarHBondContact O-CG1 3.45Å; H192-I196 PolarHBondContact O-N 3.12Å; H192-H197 AromaticContact CE1-NE2 3.73Å; H192-H197 AromaticContact NE2-CD2 3.52Å; H192-H197 AromaticContact NE2-NE2 3.29Å; H192-H197 PolarHBondContact NE2-NE2 3.06Å
193L92.3Very high87.3Confident0 Ų071.5 Ų71.50%036%0.364CS..Iπ-helixtrans-61.6-44.3179.6-71161.5000111.9C176 L178 L189 E190 K195 H197 G198 V199 Q201C176-L193 WeakPolarHBondContact SG-CD2 3.22Å; L178-L193 HydrophobicContact CD1-CD2 4.44Å; L189-L193 HydrophobicContact CD1-CD1 4.02Å; L189-L193 HydrophobicContact CD1-CD2 4.44Å; L189-L193 HydrophobicContact CD1-CG 3.92Å; L189-L193 HydrophobicContact CD2-CD1 4.27Å; L189-L193 HydrophobicContact CG-CD1 3.71Å; L189-L193 HydrophobicContact CG-CG 4.15Å; L189-L193 WeakPolarHBondContact O-CD1 3.05Å; L189-L193 VanDerWaalsContact O-CG 3.28Å; L189-L193 WeakPolarHBondContact O-CG 3.36Å; L189-L193 PolarHBondContact O-N 3.06Å; E190-L193 PolarHBondContact O-N 3.45Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3.12Å; L193-H197 CarbonylContact O-C 3.52Å; L193-H197 WeakPolarHBondContact O-CA 3.17Å; L193-H197 WeakPolarHBondContact O-CB 3.33Å; L193-H197 PolarHBondContact O-N 3.34Å; L193-G198 PolarHBondContact O-N 3.25Å; L193-V199 CarbonylContact C-O 3.39Å; L193-V199 VanDerWaalsContact C-O 3.25Å; L193-V199 HydrophobicContact CB-CG2 3.97Å; L193-V199 WeakPolarHBondContact CB-O 3.32Å; L193-V199 HydrophobicContact CD2-CG2 3.74Å; L193-V199 HydrophobicContact CG-CG2 4.4Å; L193-V199 PolarHBondContact O-N 3.4Å; L193-Q201 HydrophobicContact CD1-CB 3.17Å; L193-Q201 HydrophobicContact CD1-CG 4.24Å; L193-Q201 VanDerWaalsContact CD1-OE1 3.32Å; L193-Q201 HydrophobicContact CG-CB 4.49Å
194K93.7Very high85.6Confident138 Ų13874.4 Ų74.460%0.639%0.393SS*.Iπ-helixtrans-61.7-43.8177.4-174.6177.3-177.1178.40111.6E190 H192 G198 V199E190-K194 WeakPolarHBondContact O-CB 3.29Å; E190-K194 PolarHBondContact O-N 3.4Å; H192-K194 VanDerWaalsContact C-N 3.34Å; H192-K194 PolarHBondContact O-N 3.47Å; K194-G198 WeakPolarHBondContact O-CA 3.35Å; K194-G198 PolarHBondContact O-N 3.43Å; K194-V199 PolarHBondContact N-O 3.49Å
195K94.8Very high83.8Confident175 Ų17580.7 Ų80.776%0.76141%0.414SS*.Iπ-helixtrans-80.3-39-173.7-71.9-179.7178.8-172.60113.8S191 H192 L193S191-K195 WeakPolarHBondContact O-CB 3.29Å; S191-K195 VanDerWaalsContact O-CG 3.26Å; S191-K195 WeakPolarHBondContact O-CG 3.44Å; S191-K195 PolarHBondContact O-N 3.1Å; H192-K195 PolarHBondContact O-N 3.38Å; L193-K195 VanDerWaalsContact C-N 3.34Å; L193-K195 PolarHBondContact O-N 3.12Å
196I95.1Very high82.3Confident112 Ų11286.6 Ų86.657%0.57444%0.439SS*.Iπ-helixtrans-98.6-37.9-171.1-55.8-55.6000111.6H192H192-I196 WeakPolarHBondContact ND1-CG1 3.27Å; H192-I196 WeakPolarHBondContact O-CB 3.31Å; H192-I196 WeakPolarHBondContact O-CG1 3.45Å; H192-I196 PolarHBondContact O-N 3.12Å
197H91.4Very high80.3Confident58 Ų5890.4 Ų90.427%0.26946%0.461SS..Iπ-helixtrans-109.2-8.6-173.9-62.5-67.9000113L178 C179 H192 L193 V199L178-H197 HydrophobicContact CD1-CB 3.55Å; C179-H197 PolarHBondContact SG-NE2 2.67Å; C179-H197 VanDerWaalsContact SG-NE2 3.42Å; H192-H197 AromaticContact CE1-NE2 3.73Å; H192-H197 AromaticContact NE2-CD2 3.52Å; H192-H197 AromaticContact NE2-NE2 3.29Å; H192-H197 PolarHBondContact NE2-NE2 3.06Å; L193-H197 CarbonylContact O-C 3.52Å; L193-H197 WeakPolarHBondContact O-CA 3.17Å; L193-H197 WeakPolarHBondContact O-CB 3.33Å; L193-H197 PolarHBondContact O-N 3.34Å; H197-V199 HydrophobicContact CB-CG1 4.49Å; H197-V199 HydrophobicContact CB-CG2 3.89Å; H197-V199 WeakPolarHBondContact O-CG1 3.33Å; H197-V199 PolarHBondContact O-N 2.83Å; H197-V199 VanDerWaalsContact O-N 3.11Å
198G91.2Very high78.8Confident64 Ų6497 Ų9766%0.6648%0.477SS*.  trans667.1-17500000114.2L193 K194L193-G198 PolarHBondContact O-N 3.25Å; K194-G198 WeakPolarHBondContact O-CA 3.35Å; K194-G198 PolarHBondContact O-N 3.43Å
199V84.3Confident77.3Confident58 Ų58106 Ų10635%0.35250%0.504SS..  trans-102.7156.8-175.8-55.50000112.2L178 L193 K194 H197L178-V199 HydrophobicContact CD1-CB 4.49Å; L178-V199 HydrophobicContact CD1-CG1 4.1Å; L178-V199 HydrophobicContact CD1-CG2 3.58Å; L193-V199 CarbonylContact C-O 3.39Å; L193-V199 VanDerWaalsContact C-O 3.25Å; L193-V199 HydrophobicContact CB-CG2 3.97Å; L193-V199 WeakPolarHBondContact CB-O 3.32Å; L193-V199 HydrophobicContact CD2-CG2 3.74Å; L193-V199 HydrophobicContact CG-CG2 4.4Å; L193-V199 PolarHBondContact O-N 3.4Å; K194-V199 PolarHBondContact N-O 3.49Å; H197-V199 HydrophobicContact CB-CG1 4.49Å; H197-V199 HydrophobicContact CB-CG2 3.89Å; H197-V199 WeakPolarHBondContact O-CG1 3.33Å; H197-V199 PolarHBondContact O-N 2.83Å; H197-V199 VanDerWaalsContact O-N 3.11Å
200Q77.6Confident75.9Confident125 Ų125109.7 Ų109.758%0.58453%0.534SS*.  trans-108.6110.9170.4-64-64.3-38.100108.7K202Q200-K202 PolarHBondContact O-N 2.79Å
201Q71.3Confident75.1Confident54 Ų54113.8 Ų113.825%0.25255%0.551SS.*  trans-88.2106.4170.4-169.9175.82500109L193 Y203L193-Q201 HydrophobicContact CD1-CB 3.17Å; L193-Q201 HydrophobicContact CD1-CG 4.24Å; L193-Q201 VanDerWaalsContact CD1-OE1 3.32Å; L193-Q201 HydrophobicContact CG-CB 4.49Å; Q201-Y203 PolarHBondContact O-N 3.48Å
202K68.6Low74.5Confident190 Ų190115.2 Ų115.283%0.82655%0.553SS**  trans-76107.2166.1-65.4-174.7-178.6176.80107.1Q200 A204Q200-K202 PolarHBondContact O-N 2.79Å; K202-A204 PolarHBondContact O-N 3.24Å
203Y60.8Low73.8Confident53 Ų53116.7 Ų116.721%0.20856%0.559CS.*  trans-66.8114.5164.5-60.3-106.7000107.4Y174 R186 L189 E190 Q201 Y205Y174-Y203 VanDerWaalsContact CB-OH 3.29Å; Y174-Y203 WeakPolarHBondContact CB-OH 3.46Å; Y174-Y203 AromaticContact CD1-CE1 3.6Å; Y174-Y203 HydrophobicContact CD1-CE1 3.6Å; Y174-Y203 AromaticContact CD1-CZ 3.71Å; Y174-Y203 VanDerWaalsContact CD1-OH 3.23Å; Y174-Y203 WeakPolarHBondContact CD1-OH 3.34Å; Y174-Y203 HydrophobicContact CE1-CE1 4.28Å; R186-Y203 HydrophobicContact CB-CE2 4.47Å; R186-Y203 HydrophobicContact CG-CD2 3.67Å; R186-Y203 HydrophobicContact CG-CE2 3.43Å; R186-Y203 VanDerWaalsContact CG-CE2 3.43Å; R186-Y203 HydrophobicContact CG-CG 4.41Å; R186-Y203 VanDerWaalsContact CZ-CB 3.48Å; R186-Y203 PolarHBondContact NH2-O 3.47Å; L189-Y203 VanDerWaalsContact CB-OH 3.3Å; L189-Y203 WeakPolarHBondContact CB-OH 3.5Å; L189-Y203 HydrophobicContact CD2-CE1 4.26Å; L189-Y203 HydrophobicContact CD2-CE2 4.14Å; L189-Y203 WeakPolarHBondContact CD2-OH 3.21Å; E190-Y203 HydrophobicContact CG-CE2 4.2Å; Q201-Y203 PolarHBondContact O-N 3.48Å; Y203-Y205 PolarHBondContact O-N 2.81Å
204A55.9Low73.2Confident92 Ų92120.4 Ų120.476%0.7658%0.581SS**  trans-56.8113.3168.800000107.7K202 K206K202-A204 PolarHBondContact O-N 3.24Å; A204-K206 PolarHBondContact O-N 3.29Å
205Y51.8Low72.5Confident166 Ų166113.9 Ų113.965%0.65155%0.553SS**  trans-59.6123.6157.1-177.1-95.7000104.7Y203 E207 R208Y203-Y205 PolarHBondContact O-N 2.81Å; Y205-E207 PolarHBondContact O-N 2.86Å; Y205-R208 HydrophobicContact CE1-CG 4.14Å
206K57.5Low71.8Confident190 Ų190114 Ų11483%0.82656%0.556SS**  trans-48.9112.4173.7-70.3-175.6-178.3-174.90106.2A204 R208A204-K206 PolarHBondContact O-N 3.29Å; K206-R208 PolarHBondContact O-N 2.95Å
207E49Very low71Confident177 Ų177113.3 Ų113.383%0.82755%0.551SS**  trans-52.3120.5179.5-172.1166-158.900106.2Y205 R209Y205-E207 PolarHBondContact O-N 2.86Å; E207-R209 PolarHBondContact O-N 3.44Å
208R57.1Low70.5Confident202 Ų202113.3 Ų113.376%0.76256%0.557SS**  trans-65.695.7169.7-82.3-176.4-67.8-165.1-0.6103.7Y205 K206 A210Y205-R208 HydrophobicContact CE1-CG 4.14Å; K206-R208 PolarHBondContact O-N 2.95Å; R208-A210 PolarHBondContact O-N 2.95Å
209R59.3Low69.9Low234 Ų234112.5 Ų112.588%0.88355%0.548SS*.  trans-39.5118.7174.2-167176.7174.6113-1.7106.1E207 K211E207-R209 PolarHBondContact O-N 3.44Å; R209-K211 PolarHBondContact O-N 3.4Å
210A64.2Low69.9Low77 Ų77112.8 Ų112.864%0.63655%0.552SS**  trans-48.1115.7-175.400000107.3R208 L212R208-A210 PolarHBondContact O-N 2.95Å; A210-L212 VanDerWaalsContact C-N 3.27Å; A210-L212 PolarHBondContact O-N 2.92Å
211K75.4Confident69.8Low146 Ų146111.1 Ų111.164%0.63555%0.551SS**  trans-74.793-177.2-175.4177.5177.5-174.40106.2R209 Y213R209-K211 PolarHBondContact O-N 3.4Å; K211-Y213 HydrophobicContact CD-CE1 4.46Å; K211-Y213 HydrophobicContact CG-CE2 4.29Å; K211-Y213 VanDerWaalsContact O-CD2 3.29Å; K211-Y213 WeakPolarHBondContact O-CD2 3.14Å; K211-Y213 VanDerWaalsContact O-CE2 3.29Å; K211-Y213 WeakPolarHBondContact O-CE2 3.32Å
212L80.7Confident70.2Confident91 Ų91109.4 Ų109.448%0.47655%0.545SS..  trans-73.1130.2172.7-61.2176.9000108.3A210 S222 E223A210-L212 VanDerWaalsContact C-N 3.27Å; A210-L212 PolarHBondContact O-N 2.92Å; L212-S222 WeakPolarHBondContact CA-O 3.42Å; L212-E223 HydrophobicContact CD2-CG 4.03Å
213Y78.1Confident70.7Confident48 Ų48108.9 Ų108.919%0.18855%0.545CS..EExtended strand (participates in β ladder)trans-96.5113.2173.8-64.7-95.7000107.6K211 T221 S222 Q225 H228K211-Y213 HydrophobicContact CD-CE1 4.46Å; K211-Y213 HydrophobicContact CG-CE2 4.29Å; K211-Y213 VanDerWaalsContact O-CD2 3.29Å; K211-Y213 WeakPolarHBondContact O-CD2 3.14Å; K211-Y213 VanDerWaalsContact O-CE2 3.29Å; K211-Y213 WeakPolarHBondContact O-CE2 3.32Å; Y213-T221 CarbonylContact O-C 3.59Å; Y213-T221 WeakPolarHBondContact O-CA 3.48Å; Y213-S222 WeakPolarHBondContact CB-OG 3.3Å; Y213-S222 PolarHBondContact N-O 3.11Å; Y213-S222 PolarHBondContact O-N 3.41Å; Y213-S222 PolarHBondContact O-OG 3.43Å; Y213-S222 VanDerWaalsContact O-OG 3.13Å; Y213-Q225 HydrophobicContact CD1-CB 4.36Å; Y213-Q225 HydrophobicContact CD1-CG 4.32Å; Y213-Q225 HydrophobicContact CE1-CB 3.74Å; Y213-Q225 HydrophobicContact CE1-CG 3.76Å; Y213-Q225 HydrophobicContact CE2-CB 3.93Å; Y213-H228 HydrophobicContact CG-CB 4.22Å
214V79.9Confident71.7Confident79 Ų79109.1 Ų109.148%0.47956%0.555SS.*EExtended strand (participates in β ladder)trans-96.4129.1-178.9-169.70000108.5C220 T221 H228V214-C220 WeakPolarHBondContact CA-O 3.48Å; V214-T221 HydrophobicContact CG1-CG2 4.36Å; V214-T221 HydrophobicContact CG2-CG2 4.01Å; V214-H228 PolarHBondContact O-NE2 3.14Å
215C79.4Confident72.9Confident1 Ų1110.2 Ų110.21%0.00754%0.544CS..  trans-75.1122.8169.6-1790000109.3E217 C218 G219 C220 H228 H231C215-E217 VanDerWaalsContact C-N 3.26Å; C215-E217 PolarHBondContact O-N 3.06Å; C215-C218 PolarHBondContact SG-SG 3.48Å; C215-G219 WeakPolarHBondContact O-CA 3.24Å; C215-G219 PolarHBondContact O-N 3.02Å; C215-C220 PolarHBondContact N-O 3.3Å; C215-H228 WeakPolarHBondContact CA-NE2 3.18Å; C215-H231 WeakPolarHBondContact CB-NE2 3.48Å; C215-H231 PolarHBondContact SG-NE2 3.48Å; C215-H231 VanDerWaalsContact SG-NE2 3.35Å
216E79Confident74.3Confident176 Ų176109.4 Ų109.482%0.82255%0.546SS*.THydrogen-bonded Turntrans-74.2-17.8-178.7-66.7176.1-178.100112.7
217E78.7Confident75.5Confident98 Ų98101.5 Ų101.546%0.45852%0.518SS..THydrogen-bonded Turntrans-87.5-30.2-177.5-64.6-179.4-148.300113.2C215 H236 S239C215-E217 VanDerWaalsContact C-N 3.26Å; C215-E217 PolarHBondContact O-N 3.06Å; E217-H236 VanDerWaalsContact CB-CE1 3.47Å; E217-H236 WeakPolarHBondContact CB-CE1 3.45Å; E217-H236 WeakPolarHBondContact CB-ND1 3.47Å; E217-H236 WeakPolarHBondContact OE2-CB 3.46Å; E217-H236 IonicContact OE2-CE1 3.73Å; E217-H236 IonicContact OE2-CG 3.26Å; E217-H236 VanDerWaalsContact OE2-CG 3.26Å; E217-H236 IonicContact OE2-ND1 2.74Å; E217-H236 PolarHBondContact OE2-ND1 3.35Å; E217-S239 WeakPolarHBondContact OE1-CA 3.35Å; E217-S239 WeakPolarHBondContact OE1-CB 3.33Å; E217-S239 PolarHBondContact OE1-OG 3.17Å
218C80.6Confident77.1Confident59 Ų5993.9 Ų93.940%0.39948%0.483SS..THydrogen-bonded Turntrans-133-3.3-177.665.90000114.7C215 C220 H231 H236C215-C218 PolarHBondContact SG-SG 3.48Å; C218-C220 PolarHBondContact O-N 2.93Å; C218-H231 PolarHBondContact SG-CE1 2.92Å; C218-H231 PolarHBondContact SG-NE2 3.21Å; C218-H236 WeakPolarHBondContact CB-NE2 3.34Å; C218-H236 PolarHBondContact SG-NE2 2.83Å
219G79.9Confident78.4Confident47 Ų4786 Ų8649%0.48546%0.456SS..  trans75.70.6179.100000115.2C215 T221C215-G219 WeakPolarHBondContact O-CA 3.24Å; C215-G219 PolarHBondContact O-N 3.02Å; G219-T221 PolarHBondContact O-N 3.49Å
220C82.6Confident79.6Confident63 Ų6379 Ų7943%0.42644%0.436SS..  trans-63135.2178.4-69.90000111.7V214 C215 C218V214-C220 WeakPolarHBondContact CA-O 3.48Å; C215-C220 PolarHBondContact N-O 3.3Å; C218-C220 PolarHBondContact O-N 2.93Å
221T77.3Confident80.6Confident91 Ų9176.9 Ų76.956%0.55841%0.413SS*.EExtended strand (participates in β ladder)trans-102.9137.117863.90000110.6Y213 V214 G219Y213-T221 CarbonylContact O-C 3.59Å; Y213-T221 WeakPolarHBondContact O-CA 3.48Å; V214-T221 HydrophobicContact CG1-CG2 4.36Å; V214-T221 HydrophobicContact CG2-CG2 4.01Å; G219-T221 PolarHBondContact O-N 3.49Å
222S79.3Confident80.9Confident18 Ų1870.1 Ų70.113%0.12638%0.384CS..EExtended strand (participates in β ladder)trans-124.9143174.552.80000110.6L212 Y213 S224 H228L212-S222 WeakPolarHBondContact CA-O 3.42Å; Y213-S222 WeakPolarHBondContact CB-OG 3.3Å; Y213-S222 PolarHBondContact N-O 3.11Å; Y213-S222 PolarHBondContact O-N 3.41Å; Y213-S222 PolarHBondContact O-OG 3.43Å; Y213-S222 VanDerWaalsContact O-OG 3.13Å; S222-S224 VanDerWaalsContact C-N 3.25Å; S222-S224 PolarHBondContact O-N 3Å; S222-S224 PolarHBondContact OG-O 3.33Å; S222-H228 VanDerWaalsContact OG-CA 3.3Å; S222-H228 WeakPolarHBondContact OG-CA 3.47Å; S222-H228 WeakPolarHBondContact OG-CB 3.35Å; S222-H228 PolarHBondContact OG-N 2.98Å
223E78.9Confident81.1Confident179 Ų17971.8 Ų71.884%0.83639%0.388SS*.SBendtrans-79.6-10.3-176.2-59.4-177.4155.900112.8L212L212-E223 HydrophobicContact CD2-CG 4.03Å
224S81.7Confident81.3Confident58 Ų5876.4 Ų76.441%0.40641%0.411SS..SBendtrans-136.4150.7-178.977.90000111.9S222 E226 G227 H228S222-S224 VanDerWaalsContact C-N 3.25Å; S222-S224 PolarHBondContact O-N 3Å; S222-S224 PolarHBondContact OG-O 3.33Å; S224-E226 PolarHBondContact O-N 3.41Å; S224-G227 PolarHBondContact O-N 3.14Å; S224-G227 PolarHBondContact OG-N 3.3Å; S224-H228 PolarHBondContact O-N 2.87Å; S224-H228 VanDerWaalsContact O-N 3.1Å
225Q81.1Confident81.4Confident115 Ų11578.7 Ų78.754%0.53742%0.416SS..Hα-helixtrans-62.9-36.1177-168179-52.800111.3Y213 H228 V229Y213-Q225 HydrophobicContact CD1-CB 4.36Å; Y213-Q225 HydrophobicContact CD1-CG 4.32Å; Y213-Q225 HydrophobicContact CE1-CB 3.74Å; Y213-Q225 HydrophobicContact CE1-CG 3.76Å; Y213-Q225 HydrophobicContact CE2-CB 3.93Å; Q225-H228 WeakPolarHBondContact O-CB 3.33Å; Q225-H228 PolarHBondContact O-N 3.12Å; Q225-V229 WeakPolarHBondContact O-CG2 3.26Å; Q225-V229 PolarHBondContact O-N 3.3Å
226E81.3Confident81.6Confident149 Ų14980.2 Ų80.270%0.69642%0.423SS*.Hα-helixtrans-67.6-42.3179-172.4168.5-167.800111.4S224 H228 V229 L230S224-E226 PolarHBondContact O-N 3.41Å; E226-H228 VanDerWaalsContact C-N 3.33Å; E226-H228 PolarHBondContact O-N 3.3Å; E226-V229 PolarHBondContact O-N 3.44Å; E226-L230 WeakPolarHBondContact O-CG 3.37Å; E226-L230 PolarHBondContact O-N 2.7Å
227G81.6Confident81.5Confident23 Ų2375.9 Ų75.924%0.23741%0.41CS..Hα-helixtrans-60.6-40.8172.800000112.5S224 V229 L230 H231S224-G227 PolarHBondContact O-N 3.14Å; S224-G227 PolarHBondContact OG-N 3.3Å; G227-V229 PolarHBondContact O-N 3.23Å; G227-L230 PolarHBondContact O-N 3.48Å; G227-H231 WeakPolarHBondContact O-CB 3.36Å; G227-H231 PolarHBondContact O-N 2.85Å
228H84Confident81.4Confident18 Ų1877 Ų778%0.08342%0.419CS..Hα-helixtrans-61.7-43.6174.6-169.4-139.8000112.4Y213 V214 C215 S222 S224 Q225 E226 H231 L232Y213-H228 HydrophobicContact CG-CB 4.22Å; V214-H228 PolarHBondContact O-NE2 3.14Å; C215-H228 WeakPolarHBondContact CA-NE2 3.18Å; S222-H228 VanDerWaalsContact OG-CA 3.3Å; S222-H228 WeakPolarHBondContact OG-CA 3.47Å; S222-H228 WeakPolarHBondContact OG-CB 3.35Å; S222-H228 PolarHBondContact OG-N 2.98Å; S224-H228 PolarHBondContact O-N 2.87Å; S224-H228 VanDerWaalsContact O-N 3.1Å; Q225-H228 WeakPolarHBondContact O-CB 3.33Å; Q225-H228 PolarHBondContact O-N 3.12Å; E226-H228 VanDerWaalsContact C-N 3.33Å; E226-H228 PolarHBondContact O-N 3.3Å; H228-H231 PolarHBondContact O-N 3.36Å; H228-L232 WeakPolarHBondContact O-CG 3.39Å; H228-L232 PolarHBondContact O-N 3.08Å
229V83.1Confident81.2Confident35 Ų3574.3 Ų74.321%0.21240%0.401CS..Hα-helixtrans-67.8-38.7179.9171.50000111.4Q225 E226 G227 L232 K233 L242Q225-V229 WeakPolarHBondContact O-CG2 3.26Å; Q225-V229 PolarHBondContact O-N 3.3Å; E226-V229 PolarHBondContact O-N 3.44Å; G227-V229 PolarHBondContact O-N 3.23Å; V229-L232 PolarHBondContact O-N 2.88Å; V229-K233 HydrophobicContact CG1-CD 4.36Å; V229-K233 WeakPolarHBondContact O-CG 3.48Å; V229-K233 PolarHBondContact O-N 2.87Å; V229-L242 HydrophobicContact CG1-CD2 4.2Å
230L85.6Confident80.6Confident88 Ų8876 Ų7646%0.46140%0.403SS..Hα-helixtrans-63.8-47.1173.6-71.6173.6000111.2E226 G227 L232 K233 E234E226-L230 WeakPolarHBondContact O-CG 3.37Å; E226-L230 PolarHBondContact O-N 2.7Å; G227-L230 PolarHBondContact O-N 3.48Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 3.07Å; L230-K233 PolarHBondContact O-N 3.46Å; L230-E234 WeakPolarHBondContact O-CG 3.1Å; L230-E234 PolarHBondContact O-N 3.3Å
231H83.5Confident79.8Confident33 Ų3375.6 Ų75.615%0.15340%0.397CS..Hα-helixtrans-54.8-46.6175.3166.479.9000112C215 C218 G227 H228 K233 E234 H235 H236C215-H231 WeakPolarHBondContact CB-NE2 3.48Å; C215-H231 PolarHBondContact SG-NE2 3.48Å; C215-H231 VanDerWaalsContact SG-NE2 3.35Å; C218-H231 PolarHBondContact SG-CE1 2.92Å; C218-H231 PolarHBondContact SG-NE2 3.21Å; G227-H231 WeakPolarHBondContact O-CB 3.36Å; G227-H231 PolarHBondContact O-N 2.85Å; H228-H231 PolarHBondContact O-N 3.36Å; H231-K233 PolarHBondContact O-N 3.13Å; H231-E234 PolarHBondContact O-N 2.87Å; H231-H235 AromaticContact ND1-CD2 3.9Å; H231-H235 WeakPolarHBondContact O-CB 3.39Å; H231-H235 PolarHBondContact O-N 3.15Å; H231-H236 AromaticContact NE2-CD2 3.54Å; H231-H236 AromaticContact NE2-NE2 3.82Å
232L82.9Confident79Confident4 Ų472.3 Ų72.32%0.02138%0.376CS..Hα-helixtrans-62.6-41.9175.9-69.9174.4000111.6H228 V229 L230 E234 H236 L241 L242H228-L232 WeakPolarHBondContact O-CG 3.39Å; H228-L232 PolarHBondContact O-N 3.08Å; V229-L232 PolarHBondContact O-N 2.88Å; L230-L232 VanDerWaalsContact C-N 3.32Å; L230-L232 PolarHBondContact O-N 3.07Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 2.81Å; L232-H236 HydrophobicContact CD2-CB 4.02Å; L232-H236 CarbonylContact O-C 3.54Å; L232-H236 WeakPolarHBondContact O-CA 3.27Å; L232-H236 PolarHBondContact O-N 3.37Å; L232-L241 HydrophobicContact CD1-CB 3.95Å; L232-L241 HydrophobicContact CD1-CD1 4.21Å; L232-L242 HydrophobicContact CB-CD1 4.12Å; L232-L242 HydrophobicContact CB-CD2 3.93Å; L232-L242 HydrophobicContact CB-CG 4.01Å
233K83.8Confident78Confident126 Ų12679.2 Ų79.255%0.54840%0.399SS..Hα-helixtrans-65-37.2179.2-74.8175.3179.4-177.70113.3V229 L230 H231 L242V229-K233 HydrophobicContact CG1-CD 4.36Å; V229-K233 WeakPolarHBondContact O-CG 3.48Å; V229-K233 PolarHBondContact O-N 2.87Å; L230-K233 PolarHBondContact O-N 3.46Å; H231-K233 PolarHBondContact O-N 3.13Å; K233-L242 HydrophobicContact CG-CD1 4.07Å; K233-L242 HydrophobicContact CG-CD2 3.79Å
234E83.2Confident76.9Confident145 Ų14577.1 Ų77.168%0.67839%0.387SS*.Hα-helixtrans-83.1-38.3-175.5-69.3-178.5158.100112.7L230 H231 L232L230-E234 WeakPolarHBondContact O-CG 3.1Å; L230-E234 PolarHBondContact O-N 3.3Å; H231-E234 PolarHBondContact O-N 2.87Å; L232-E234 VanDerWaalsContact C-N 3.35Å; L232-E234 PolarHBondContact O-N 2.81Å
235H81.1Confident75.4Confident127 Ų12777.3 Ų77.359%0.58839%0.386SS*.Hα-helixtrans-112-21.3-172.1-66.6-74.8000114.3H231H231-H235 AromaticContact ND1-CD2 3.9Å; H231-H235 WeakPolarHBondContact O-CB 3.39Å; H231-H235 PolarHBondContact O-N 3.15Å
236H83.8Confident74Confident33 Ų3375.5 Ų75.515%0.15339%0.386CS..  trans-136.657.1-176.9-61.3-79.1000111.7E217 C218 H231 L232 D238 S239E217-H236 VanDerWaalsContact CB-CE1 3.47Å; E217-H236 WeakPolarHBondContact CB-CE1 3.45Å; E217-H236 WeakPolarHBondContact CB-ND1 3.47Å; E217-H236 WeakPolarHBondContact OE2-CB 3.46Å; E217-H236 IonicContact OE2-CE1 3.73Å; E217-H236 IonicContact OE2-CG 3.26Å; E217-H236 VanDerWaalsContact OE2-CG 3.26Å; E217-H236 IonicContact OE2-ND1 2.74Å; E217-H236 PolarHBondContact OE2-ND1 3.35Å; C218-H236 WeakPolarHBondContact CB-NE2 3.34Å; C218-H236 PolarHBondContact SG-NE2 2.83Å; H231-H236 AromaticContact NE2-CD2 3.54Å; H231-H236 AromaticContact NE2-NE2 3.82Å; L232-H236 HydrophobicContact CD2-CB 4.02Å; L232-H236 CarbonylContact O-C 3.54Å; L232-H236 WeakPolarHBondContact O-CA 3.27Å; L232-H236 PolarHBondContact O-N 3.37Å; H236-D238 PolarHBondContact O-N 3.28Å; H236-S239 WeakPolarHBondContact O-CB 3.31Å; H236-S239 PolarHBondContact O-N 2.76Å
237P77.8Confident72.4Confident85 Ų8575.6 Ų75.655%0.55238%0.384SS*.THydrogen-bonded Turntrans-61.1-23.7-169.724.9-35.2000113.5S239P237-S239 VanDerWaalsContact C-N 3.35Å
238D77.1Confident70.6Confident121 Ų12182.7 Ų82.765%0.64741%0.408SS*.THydrogen-bonded Turntrans-87.80.8177.4-71.3-52.5000114.3H236H236-D238 PolarHBondContact O-N 3.28Å
239S75.9Confident68.9Low3 Ų385.9 Ų85.92%0.02143%0.429CS..  trans-56.2132.1-173.6-170.90000112.6E217 H236 P237 L241 L242E217-S239 WeakPolarHBondContact OE1-CA 3.35Å; E217-S239 WeakPolarHBondContact OE1-CB 3.33Å; E217-S239 PolarHBondContact OE1-OG 3.17Å; H236-S239 WeakPolarHBondContact O-CB 3.31Å; H236-S239 PolarHBondContact O-N 2.76Å; P237-S239 VanDerWaalsContact C-N 3.35Å; S239-L241 PolarHBondContact O-N 2.84Å; S239-L242 PolarHBondContact O-N 2.9Å; S239-L242 VanDerWaalsContact O-N 3.12Å
240P68Low67Low81 Ų8186.3 Ų86.353%0.52644%0.436SS..Hα-helixtrans-56.7-23.8178.3-24.933.1000114.2R243 K244P240-R243 PolarHBondContact O-N 3.26Å; P240-K244 PolarHBondContact O-N 3.26Å
241L64.7Low65.1Low56 Ų5685.9 Ų85.929%0.29344%0.437SS..Hα-helixtrans-71.1-33.5-179.9-64.7-174.9000112.9L232 S239 R243 K244 T245L232-L241 HydrophobicContact CD1-CB 3.95Å; L232-L241 HydrophobicContact CD1-CD1 4.21Å; S239-L241 PolarHBondContact O-N 2.84Å; L241-R243 VanDerWaalsContact C-N 3.3Å; L241-R243 PolarHBondContact O-N 2.85Å; L241-K244 HydrophobicContact CD2-CD 4.2Å; L241-K244 PolarHBondContact O-N 3.18Å; L241-T245 PolarHBondContact O-N 3.01Å; L241-T245 PolarHBondContact O-OG1 2.82Å
242L60.2Low63.1Low22 Ų2287 Ų8712%0.11545%0.452CS..Hα-helixtrans-66-35.1174.3-65.9175.9000111.4V229 L232 K233 S239 T245 S246V229-L242 HydrophobicContact CG1-CD2 4.2Å; L232-L242 HydrophobicContact CB-CD1 4.12Å; L232-L242 HydrophobicContact CB-CD2 3.93Å; L232-L242 HydrophobicContact CB-CG 4.01Å; K233-L242 HydrophobicContact CG-CD1 4.07Å; K233-L242 HydrophobicContact CG-CD2 3.79Å; S239-L242 PolarHBondContact O-N 2.9Å; S239-L242 VanDerWaalsContact O-N 3.12Å; L242-T245 PolarHBondContact O-OG1 3.16Å; L242-S246 PolarHBondContact O-N 3.26Å; L242-S246 PolarHBondContact O-OG 2.82Å
243R58.5Low61.4Low162 Ų16291.6 Ų91.661%0.61148%0.476SS*.Hα-helixtrans-69.9-32.1175.7-59.4-176.4-174.3-1680.7112.2P240 L241 S246 K247P240-R243 PolarHBondContact O-N 3.26Å; L241-R243 VanDerWaalsContact C-N 3.3Å; L241-R243 PolarHBondContact O-N 2.85Å; R243-S246 PolarHBondContact O-N 3.18Å; R243-K247 PolarHBondContact O-N 3.23Å
244K56.5Low59.9Low135 Ų13591.7 Ų91.759%0.58748%0.478SS*.Hα-helixtrans-71.9-34.6176.3-74.1174.3-176.6172.40112.8P240 L241 K247 K248P240-K244 PolarHBondContact O-N 3.26Å; L241-K244 HydrophobicContact CD2-CD 4.2Å; L241-K244 PolarHBondContact O-N 3.18Å; K244-K247 PolarHBondContact O-N 3.11Å; K244-K248 PolarHBondContact O-N 3.36Å
245T50.2Low58.2Low63 Ų6389.6 Ų89.639%0.38747%0.472SS..Hα-helixtrans-67.9-36.2172.645.20000112.1L241 L242 K247 K248 V249L241-T245 PolarHBondContact O-N 3.01Å; L241-T245 PolarHBondContact O-OG1 2.82Å; L242-T245 PolarHBondContact O-OG1 3.16Å; T245-K247 VanDerWaalsContact C-N 3.32Å; T245-K247 PolarHBondContact O-N 2.8Å; T245-K248 PolarHBondContact O-N 2.78Å; T245-V249 WeakPolarHBondContact O-CG2 3.39Å; T245-V249 PolarHBondContact O-N 3.46Å; T245-V249 VanDerWaalsContact O-N 3.14Å
246S51.1Low56.7Low76 Ų7687.3 Ų87.353%0.53147%0.467SS..Hα-helixtrans-65.1-33174.4-61.20000112.9L242 R243 V249 A250L242-S246 PolarHBondContact O-N 3.26Å; L242-S246 PolarHBondContact O-OG 2.82Å; R243-S246 PolarHBondContact O-N 3.18Å; S246-V249 PolarHBondContact O-N 3.3Å; S246-A250 WeakPolarHBondContact O-CB 3.35Å; S246-A250 PolarHBondContact O-N 3.02Å
247K47.3Very low55.3Low152 Ų15289.5 Ų89.566%0.66148%0.483SS*.Hα-helixtrans-69.1-37174.6-72.6-179.7-179.7-178.10113R243 K244 T245 A250 V251R243-K247 PolarHBondContact O-N 3.23Å; K244-K247 PolarHBondContact O-N 3.11Å; T245-K247 VanDerWaalsContact C-N 3.32Å; T245-K247 PolarHBondContact O-N 2.8Å; K247-A250 PolarHBondContact O-N 2.74Å; K247-V251 WeakPolarHBondContact O-CB 3.45Å; K247-V251 VanDerWaalsContact O-CG2 3.24Å; K247-V251 WeakPolarHBondContact O-CG2 3.48Å; K247-V251 PolarHBondContact O-N 3.31Å
248K45.2Very low54.2Low171 Ų17189 Ų8974%0.74348%0.478SS*.Hα-helixtrans-68.3-37174.8-73.6-176.1178.5179.80112.3K244 T245 A252K244-K248 PolarHBondContact O-N 3.36Å; T245-K248 PolarHBondContact O-N 2.78Å; K248-A252 WeakPolarHBondContact O-CB 3.43Å; K248-A252 PolarHBondContact O-N 3.5Å; K248-A252 VanDerWaalsContact O-N 3.11Å
249V47.3Very low53Low85 Ų8587.4 Ų87.452%0.51548%0.476SS..Hα-helixtrans-72.2-37.7173.7176.80000111.3T245 S246 A252 L253T245-V249 WeakPolarHBondContact O-CG2 3.39Å; T245-V249 PolarHBondContact O-N 3.46Å; T245-V249 VanDerWaalsContact O-N 3.14Å; S246-V249 PolarHBondContact O-N 3.3Å; V249-A252 PolarHBondContact O-N 3.28Å; V249-L253 HydrophobicContact CG1-CD1 3.87Å; V249-L253 HydrophobicContact CG1-CG 4.36Å; V249-L253 WeakPolarHBondContact O-CB 3.47Å; V249-L253 WeakPolarHBondContact O-CG 3.48Å; V249-L253 PolarHBondContact O-N 2.93Å
250A43Very low51.9Low45 Ų4593.6 Ų93.637%0.37251%0.508SS..Hα-helixtrans-66.9-38.717600000112.6S246 K247 L253 Q254S246-A250 WeakPolarHBondContact O-CB 3.35Å; S246-A250 PolarHBondContact O-N 3.02Å; K247-A250 PolarHBondContact O-N 2.74Å; A250-L253 PolarHBondContact O-N 2.71Å; A250-Q254 WeakPolarHBondContact O-CB 3.42Å; A250-Q254 PolarHBondContact O-N 3.01Å
251V45Very low51.1Low78 Ų7896.6 Ų96.647%0.47352%0.519SS..Hα-helixtrans-66.8-38.7172.6171.40000110.8K247 N255K247-V251 WeakPolarHBondContact O-CB 3.45Å; K247-V251 VanDerWaalsContact O-CG2 3.24Å; K247-V251 WeakPolarHBondContact O-CG2 3.48Å; K247-V251 PolarHBondContact O-N 3.31Å; V251-N255 WeakPolarHBondContact O-CB 3.47Å; V251-N255 PolarHBondContact O-N 3.4Å; V251-N255 VanDerWaalsContact O-N 3.07Å; V251-N255 PolarHBondContact O-ND2 3.4Å; V251-N255 VanDerWaalsContact O-ND2 3.15Å
252A41.8Very low50.5Low56 Ų56101.9 Ų101.946%0.46354%0.542SS..Hα-helixtrans-65.3-39.317400000112.4K248 V249 T256K248-A252 WeakPolarHBondContact O-CB 3.43Å; K248-A252 PolarHBondContact O-N 3.5Å; K248-A252 VanDerWaalsContact O-N 3.11Å; V249-A252 PolarHBondContact O-N 3.28Å; A252-T256 PolarHBondContact O-N 2.95Å; A252-T256 PolarHBondContact O-OG1 3.08Å
253L48.8Very low49.9Very low102 Ų102103.4 Ų103.453%0.53456%0.564SS.*Hα-helixtrans-72.5-41.6177.8-76168.9000112.6V249 A250 N255 T256 V257V249-L253 HydrophobicContact CG1-CD1 3.87Å; V249-L253 HydrophobicContact CG1-CG 4.36Å; V249-L253 WeakPolarHBondContact O-CB 3.47Å; V249-L253 WeakPolarHBondContact O-CG 3.48Å; V249-L253 PolarHBondContact O-N 2.93Å; A250-L253 PolarHBondContact O-N 2.71Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 3.46Å; L253-T256 VanDerWaalsContact CA-OG1 3.27Å; L253-T256 WeakPolarHBondContact CA-OG1 3.35Å; L253-T256 PolarHBondContact O-N 3.19Å; L253-T256 PolarHBondContact O-OG1 3.45Å; L253-V257 WeakPolarHBondContact O-CG2 3.05Å; L253-V257 PolarHBondContact O-N 3.34Å
254Q51.3Low49.2Very low128 Ų128100.8 Ų100.860%0.59857%0.57SS**Hα-helixtrans-59.4-45.5173.5-85.7175.9-24.800110.7A250 T256 V257 T258A250-Q254 WeakPolarHBondContact O-CB 3.42Å; A250-Q254 PolarHBondContact O-N 3.01Å; Q254-T256 VanDerWaalsContact C-N 3.28Å; Q254-T256 PolarHBondContact O-N 2.8Å; Q254-V257 PolarHBondContact O-N 3.13Å; Q254-V257 VanDerWaalsContact O-N 3.13Å; Q254-T258 PolarHBondContact O-N 3.33Å; Q254-T258 PolarHBondContact O-OG1 3.04Å
255N47.4Very low48.4Very low101 Ų101100.2 Ų100.254%0.5458%0.58SS.*Hα-helixtrans-63.1-32.3177.4-68.2-18.6000113V251 L253 S259V251-N255 WeakPolarHBondContact O-CB 3.47Å; V251-N255 PolarHBondContact O-N 3.4Å; V251-N255 VanDerWaalsContact O-N 3.07Å; V251-N255 PolarHBondContact O-ND2 3.4Å; V251-N255 VanDerWaalsContact O-ND2 3.15Å; L253-N255 VanDerWaalsContact C-N 3.33Å; L253-N255 PolarHBondContact O-N 3.46Å; N255-S259 PolarHBondContact O-N 3.12Å; N255-S259 PolarHBondContact O-OG 2.73Å
256T50.4Low48Very low78 Ų78105.5 Ų105.548%0.47960%0.6SS.*Hα-helixtrans-73.5-35.9172.848.20000113.4A252 L253 Q254 L260A252-T256 PolarHBondContact O-N 2.95Å; A252-T256 PolarHBondContact O-OG1 3.08Å; L253-T256 VanDerWaalsContact CA-OG1 3.27Å; L253-T256 WeakPolarHBondContact CA-OG1 3.35Å; L253-T256 PolarHBondContact O-N 3.19Å; L253-T256 PolarHBondContact O-OG1 3.45Å; Q254-T256 VanDerWaalsContact C-N 3.28Å; Q254-T256 PolarHBondContact O-N 2.8Å; T256-L260 WeakPolarHBondContact O-CG 3.41Å; T256-L260 PolarHBondContact O-N 3.07Å
257V53.9Low47.3Very low80 Ų80113.1 Ų113.149%0.48563%0.634SS.*Hα-helixtrans-74.8-40.2179.2173.40000111.4L253 Q254 S259 L260 L261L253-V257 WeakPolarHBondContact O-CG2 3.05Å; L253-V257 PolarHBondContact O-N 3.34Å; Q254-V257 PolarHBondContact O-N 3.13Å; Q254-V257 VanDerWaalsContact O-N 3.13Å; V257-S259 PolarHBondContact O-N 3.15Å; V257-L260 PolarHBondContact O-N 3.08Å; V257-L260 VanDerWaalsContact O-N 3.08Å; V257-L261 HydrophobicContact CG1-CD1 4.36Å; V257-L261 PolarHBondContact O-N 3.39Å
258T54.5Low47.3Very low75 Ų75111.2 Ų111.246%0.4663%0.632SS.*Hα-helixtrans-63.5-30.7175.7-45.30000112Q254 L260Q254-T258 PolarHBondContact O-N 3.33Å; Q254-T258 PolarHBondContact O-OG1 3.04Å; T258-L260 VanDerWaalsContact C-N 3.33Å
259S52.5Low47.4Very low87 Ų87108 Ų10861%0.60863%0.626SS**Hα-helixtrans-73-22.1175.2-58.80000113.6N255 V257N255-S259 PolarHBondContact O-N 3.12Å; N255-S259 PolarHBondContact O-OG 2.73Å; V257-S259 PolarHBondContact O-N 3.15Å
260L52.6Low47.4Very low133 Ų133109.3 Ų109.370%0.69663%0.633SS**Hα-helixtrans-86.8-27.7178.5-72.1169.2000112.7T256 V257 T258T256-L260 WeakPolarHBondContact O-CG 3.41Å; T256-L260 PolarHBondContact O-N 3.07Å; V257-L260 PolarHBondContact O-N 3.08Å; V257-L260 VanDerWaalsContact O-N 3.08Å; T258-L260 VanDerWaalsContact C-N 3.33Å
261L51.3Low47.7Very low143 Ų143113.1 Ų113.175%0.74965%0.648SS**Hα-helixtrans-82.9-14.2179-67.6172.9000114V257V257-L261 HydrophobicContact CG1-CD1 4.36Å; V257-L261 PolarHBondContact O-N 3.39Å
262Q51.5Low47.8Very low167 Ų167115.3 Ų115.378%0.7866%0.659SS**THydrogen-bonded Turntrans-94.44175.1-68.2-178.7-11.300113.4
263G47.9Very low48.2Very low55 Ų55119.2 Ų119.257%0.56767%0.672SS**  trans-10714.5-174.400000116P265G263-P265 WeakPolarHBondContact O-CD 3.09Å
264S42.9Very low48.2Very low106 Ų106120.4 Ų120.474%0.74168%0.682SS**  trans-94.998.1172.1-66.60000110.1H266S264-H266 PolarHBondContact O-N 3.27Å
265P40.5Very low47.9Very low124 Ų124119.8 Ų119.881%0.80569%0.688SS**  trans-69.1123.1162.228.6-29.4000108G263G263-P265 WeakPolarHBondContact O-CD 3.09Å
266H42.7Very low48Very low174 Ų174121.4 Ų121.481%0.80670%0.701SS**  trans-63145.9166.5-150.5-83.9000109.2S264S264-H266 PolarHBondContact O-N 3.27Å
267L35.2Very low47.8Very low235 Ų235125.4 Ų125.4100%1.2372%0.721SS**  trans94.60173.6-60.2162000115.8

Retrieved 267 of 267 residues in 278.8 ms (Link to these results)