A0A093HP54_STRCA Loading...

Cyclic AMP-dependent transcription factor ATF-1

AlphaFold DB , UniProt , Accession A0A093HP54, Species STRCA (Struthio camelus australis), Gene n/a, Length 318 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.4Very low40Very low229 Ų229148.8 Ų148.8100%1.12882%0.816SS**  0980-56.7165.7-174.200107.5
2E39.9Very low39.8Very low162 Ų162146.4 Ų146.476%0.75782%0.818SS**  cis-153.4146.6-12.6-103.5126.5100.800105.2
3E40.2Very low39.7Very low170 Ų170146 Ų14679%0.79482%0.821SS**  45.3135.386.2-75.3-137114.700115.1
4V43.1Very low39.2Very low94 Ų94146.6 Ų146.657%0.5783%0.83SS**  cis-157.5170-14.4-94.80000107.2
5H47.1Very low38.8Very low166 Ų166142.8 Ų142.877%0.76982%0.824SS**  cis-128.3-178.96.7-48.7-97.8000108.5
6K45.5Very low38.4Very low185 Ų185140.5 Ų140.580%0.80482%0.819SS**  cis76.886.815-163.1-179.51761800118.8
7S37.7Very low38Very low126 Ų126142.2 Ų142.288%0.88182%0.817SS**  trans-135.5125.4158.2-71.40000110.8
8S39.2Very low37.7Very low96 Ų96141.2 Ų141.267%0.67181%0.814SS**  trans-119.1151.3-176.9-56.40000111.6
9S38Very low37.5Very low125 Ų125140.7 Ų140.787%0.87482%0.82SS**  trans-161.4148.6148.2-82.80000110.1
10N34.6Very low37.2Very low156 Ų156138.4 Ų138.483%0.83482%0.818SS**  trans-94.4147.1-164.6-67.3-9.4000113.5
11S36.8Very low37Very low128 Ų128138.5 Ų138.590%0.89582%0.819SS**  trans-85.8132.9158.1-52.30000109.9
12S36.9Very low36.8Very low120 Ų120137 Ų13784%0.83981%0.81SS**  trans-135124.8170.551.60000111.3
13V39.2Very low36.4Very low141 Ų141132.9 Ų132.986%0.85581%0.81SS**  trans-97.3139.6177.5-840000111.4
14T32.5Very low36.2Very low154 Ų154130.9 Ų130.995%0.94581%0.81SS**  trans-167.7165.11429.60000109.9
15A33.1Very low35.8Very low90 Ų90133 Ų13374%0.74482%0.823SS**  trans-141.9155.3-178.200000110.9
16S31.7Very low35.3Very low106 Ų106132.8 Ų132.874%0.74183%0.827SS**  trans177139.8142.6-86.10000115.5
17Q31.9Very low34.8Very low170 Ų170133 Ų13379%0.79483%0.831SS**  trans54.7106.4138.6-70179.572.100123
18T33.3Very low34.7Very low124 Ų124132.1 Ų132.176%0.76183%0.831SS**  40130.2120.858.20000122.4
19S33.3Very low34.8Very low131 Ų131131.6 Ų131.692%0.91683%0.833SS**  trans-157164145-88.70000113.8
20A30.9Very low34.8Very low95 Ų95135 Ų13579%0.78584%0.835SS**  trans-63.2143.5-155.900000120.4
21V34.3Very low34.8Very low140 Ų140136.3 Ų136.385%0.84884%0.841SS**  trans7.6124133.5-176.10000118.8
22Q33.3Very low34.8Very low199 Ų199135.1 Ų135.193%0.9383%0.832SS**  trans-149.3149.3130.2-110.5176.71300109.4
23G31.1Very low34.8Very low74 Ų74137.5 Ų137.576%0.76383%0.83SS**  trans-119.8144.2-172.900000113
24T37.3Very low34.7Very low128 Ų128139.2 Ų139.279%0.78583%0.832SS**  trans-133.9118.5177.2-46.10000110.1L26T24-L26 PolarHBondContact O-N 3.41Å
25T34.5Very low34.7Very low139 Ų139136.6 Ų136.685%0.85383%0.826SS**  trans-69.4125.5172.8-41.80000109.6
26L35.5Very low35Very low161 Ų161140.2 Ų140.284%0.84383%0.828SS**  trans-107.1132.9170.9-68.7-179.1000110.7T24T24-L26 PolarHBondContact O-N 3.41Å
27Q36.8Very low35.4Very low189 Ų189142.9 Ų142.988%0.88383%0.829SS**  trans-104.7133.7-161.7-168.2171.92.800110.7A29Q27-A29 PolarHBondContact O-N 3.49Å; Q27-A29 VanDerWaalsContact O-N 3.16Å
28A35.5Very low35.2Very low108 Ų108143.1 Ų143.189%0.89383%0.832SS**  trans-8294.5-172.200000112.9
29A39.8Very low35.4Very low85 Ų85142.8 Ų142.870%0.70283%0.834SS**  trans-162.9108.2161.100000112Q27Q27-A29 PolarHBondContact O-N 3.49Å; Q27-A29 VanDerWaalsContact O-N 3.16Å
30Q37.8Very low35.8Very low196 Ų196143.9 Ų143.992%0.91683%0.829SS**  trans168.684.3149.4-96.5164.1-5.300111.8
31L36Very low36Very low185 Ų185151.1 Ų151.197%0.96984%0.836SS**  trans-141.697.4159-80.4-178.5000109.6
32S35.6Very low36.3Very low102 Ų102147.3 Ų147.371%0.71383%0.825SS**  trans-155.5171.1167.6-1690000108.6
33H37Very low36.8Very low171 Ų171144.3 Ų144.379%0.79282%0.823SS**  trans68.882.6-175-43.3-73.7000115.2
34I38.4Very low37.4Very low176 Ų176144.6 Ų144.690%0.90382%0.818SS**  -166.9103.3120.2-92.8150.1000107.5
35A31.8Very low37.6Very low99 Ų99144.4 Ų144.482%0.81882%0.819SS**  trans-166.696.1169.400000108.8
36Q38.5Very low37.8Very low167 Ų167145.5 Ų145.578%0.7882%0.819SS**  trans-143.6140.7173.5-93.9-16028.500112
37Q39.9Very low38.2Very low161 Ų161143.9 Ų143.975%0.75282%0.816SS**  trans63.293.9156.3-59.317647.300118.4
38M28.6Very low38.4Very low176 Ų176140.6 Ų140.687%0.86781%0.808SS**  -139.399.9129.2-80.8-58.3-90.400108.4
39S37Very low38.4Very low116 Ų116141.2 Ų141.281%0.81180%0.801SS**  trans-107.7117177.4-174.70000110.3
40L41.4Very low38.1Very low154 Ų154144.6 Ų144.681%0.80680%0.802SS**  trans-14893.5178.4-71.4177.2000111
41R36.2Very low38.1Very low247 Ų247141.9 Ų141.993%0.93279%0.793SS**  trans178.7137.8141.9-156.8157.6-175.4148.7-1.7110.1
42G40.1Very low38.2Very low60 Ų60139.1 Ų139.162%0.61979%0.786SS**PPolyproline II helixtrans-75.1169.217200000113.3
43P44.4Very low38.6Very low137 Ų137137.7 Ų137.789%0.8979%0.788SS**PPolyproline II helixtrans-68.8135.7-177.429-34.9000112.1
44A43.8Very low38.7Very low79 Ų79138.3 Ų138.365%0.65379%0.791SS**PPolyproline II helixtrans-95.7144.1162.800000109.1L46A44-L46 PolarHBondContact O-N 3.04Å
45P40.6Very low38.6Very low124 Ų124139.1 Ų139.181%0.80579%0.791SS**PPolyproline II helixtrans-69.9124.8-176.627.8-34000111.5
46L40Very low39Very low163 Ų163139.3 Ų139.385%0.85378%0.782SS**  trans-87.4113.8170.3-63.2177.7000109.4A44 V48A44-L46 PolarHBondContact O-N 3.04Å; L46-V48 PolarHBondContact O-N 3.05Å
47T42.8Very low38.9Very low127 Ų127140.4 Ų140.478%0.77979%0.787SS**  trans-89.5102.7169.5-56.10000109.1V49T47-V49 HydrophobicContact CG2-CG2 4.43Å
48V40.9Very low39Very low119 Ų119138.5 Ų138.572%0.72179%0.786SS**  trans-86.1115.7173.4179.50000109L46L46-V48 PolarHBondContact O-N 3.05Å
49V35Very low39.3Very low122 Ų122137.8 Ų137.874%0.73978%0.781SS**  trans-97.6111.1167.5179.40000107.9T47T47-V49 HydrophobicContact CG2-CG2 4.43Å
50Q33.4Very low39.4Very low156 Ų156134.7 Ų134.773%0.72977%0.767SS**  trans-86.9122.2-178.8-175.769.568.300110.8
51L38.7Very low39.3Very low138 Ų138132.8 Ų132.872%0.72376%0.762SS**  trans-128.2162.2159.5-72.8174.9000109.5
52P37.5Very low39.4Very low127 Ų127128.2 Ų128.283%0.82575%0.754SS**SBendtrans-98.8124.1-171.56.614.7000112.2
53G43.7Very low39.2Very low73 Ų73133.4 Ų133.475%0.75376%0.762SS**SBendtrans119.4140.1174.300000113.6
54E39.1Very low38.9Very low183 Ų183132.1 Ų132.186%0.85575%0.752SS**  trans43.2111.8173.2-82.717382.300119.5V56E54-V56 PolarHBondContact O-N 3.16Å
55Q38.1Very low38.6Very low194 Ų194132.7 Ų132.791%0.90776%0.757SS**  trans-8799164.9-66.3-172.616.200110.8
56V38.6Very low38.6Very low103 Ų103135 Ų13562%0.62476%0.757SS**  trans-105.6111.7164.3-175.70000108.8E54 V58E54-V56 PolarHBondContact O-N 3.16Å; V56-V58 VanDerWaalsContact C-N 3.34Å; V56-V58 HydrophobicContact CG1-CG2 3.87Å; V56-V58 PolarHBondContact O-N 3.22Å
57Q37.9Very low38.8Very low189 Ų189133 Ų13388%0.88376%0.756SS**  trans-74.185.6173.7-72.7-169.95.100110.8
58V40.2Very low38.6Very low121 Ų121131.8 Ų131.873%0.73375%0.754SS**  trans-84111.3166.8-173.60000108.7V56 G60V56-V58 VanDerWaalsContact C-N 3.34Å; V56-V58 HydrophobicContact CG1-CG2 3.87Å; V56-V58 PolarHBondContact O-N 3.22Å; V58-G60 PolarHBondContact O-N 3.32Å
59Q35.4Very low38.4Very low161 Ų161131.3 Ų131.375%0.75276%0.755SS**  trans-67.192174.9178.258.874.200110V61Q59-V61 HydrophobicContact CG-CG2 4.42Å; Q59-V61 PolarHBondContact O-N 3.24Å
60G39.9Very low38.5Very low52 Ų52131.2 Ų131.254%0.53676%0.755SS.*  trans-64.295.8175.900000111.5V58 I62V58-G60 PolarHBondContact O-N 3.32Å; G60-I62 VanDerWaalsContact C-N 3.34Å; G60-I62 PolarHBondContact O-N 3.18Å
61V38.5Very low38.8Very low113 Ų113130.5 Ų130.569%0.68576%0.755SS**  trans-76.788171.1-176.70000108.1Q59 Q63Q59-V61 HydrophobicContact CG-CG2 4.42Å; Q59-V61 PolarHBondContact O-N 3.24Å; V61-Q63 HydrophobicContact CG1-CB 4.4Å; V61-Q63 PolarHBondContact O-N 3.01Å
62I38.9Very low38.5Very low151 Ų151132.2 Ų132.277%0.77476%0.759SS**  trans-70.283.6166.6-58.6-179.7000107.5G60 T64G60-I62 VanDerWaalsContact C-N 3.34Å; G60-I62 PolarHBondContact O-N 3.18Å; I62-T64 HydrophobicContact CG2-CG2 4.49Å; I62-T64 PolarHBondContact O-N 3.05Å
63Q35.8Very low38.6Very low169 Ų169131 Ų13179%0.7975%0.753SS**  trans-70.397.6172.4-174.4165.485.900107.8V61 A65V61-Q63 HydrophobicContact CG1-CB 4.4Å; V61-Q63 PolarHBondContact O-N 3.01Å; Q63-A65 PolarHBondContact O-N 3.16Å
64T37.8Very low38.5Very low111 Ų111133.3 Ų133.368%0.68175%0.754SS**  trans-64.3103176.446.20000109.1I62 Q66I62-T64 HydrophobicContact CG2-CG2 4.49Å; I62-T64 PolarHBondContact O-N 3.05Å; T64-Q66 PolarHBondContact O-N 3Å
65A38.4Very low38.6Very low91 Ų91133.3 Ų133.375%0.75275%0.754SS**  trans-64.592.9-179.200000110.4Q63 S67Q63-A65 PolarHBondContact O-N 3.16Å; A65-S67 PolarHBondContact O-N 2.85Å; A65-S67 VanDerWaalsContact O-N 3.14Å
66Q40.2Very low38.6Very low172 Ų172130.9 Ų130.980%0.80475%0.753SS**  trans-69.3105.6164.9-69.6-171.3-12.300107.5T64 S68T64-Q66 PolarHBondContact O-N 3Å; Q66-S68 VanDerWaalsContact C-N 3.29Å; Q66-S68 PolarHBondContact O-N 3.05Å
67S43.4Very low38.6Very low120 Ų120134.6 Ų134.684%0.83976%0.763SS**  trans-64.283.1-178.8-51.90000111.8A65 S69A65-S67 PolarHBondContact O-N 2.85Å; A65-S67 VanDerWaalsContact O-N 3.14Å; S67-S69 PolarHBondContact O-N 3.22Å
68S39.8Very low38.4Very low103 Ų103132.6 Ų132.672%0.7276%0.764SS**  trans-71.191.7175.743.60000110.1Q66 V70Q66-S68 VanDerWaalsContact C-N 3.29Å; Q66-S68 PolarHBondContact O-N 3.05Å; S68-V70 PolarHBondContact O-N 3.05Å
69S35.6Very low38.1Very low108 Ų108133 Ų13376%0.75577%0.767SS**  trans-62.899173.2-1730000110.3S67 I71S67-S69 PolarHBondContact O-N 3.22Å; S69-I71 PolarHBondContact O-N 2.98Å; S69-I71 VanDerWaalsContact O-N 3.09Å
70V38.3Very low38Very low120 Ų120134.4 Ų134.473%0.72777%0.773SS**  trans-76.594.4177.6-179.50000108.8S68 H72S68-V70 PolarHBondContact O-N 3.05Å; V70-H72 PolarHBondContact O-N 3.42Å
71I39.3Very low37.6Very low142 Ų142137.9 Ų137.973%0.72878%0.784SS**PPolyproline II helixtrans-67118.9169.8-62.5177.8000108.4S69 S73S69-I71 PolarHBondContact O-N 2.98Å; S69-I71 VanDerWaalsContact O-N 3.09Å; I71-S73 PolarHBondContact O-N 3.42Å
72H33.2Very low37.3Very low174 Ų174137.8 Ų137.881%0.80679%0.788SS**PPolyproline II helixtrans-65.2120.6170.9-107.178000110.1V70V70-H72 PolarHBondContact O-N 3.42Å
73S39.5Very low37Very low100 Ų100136.3 Ų136.370%0.69979%0.791SS**PPolyproline II helixtrans-95133.6164.6-70.20000109.5I71I71-S73 PolarHBondContact O-N 3.42Å
74P40.9Very low37.1Very low122 Ų122136.8 Ų136.879%0.79280%0.798SS**PPolyproline II helixtrans-67.4146.9174.529.1-34.3000110.9
75Q40.3Very low37.2Very low183 Ų183136.8 Ų136.886%0.85580%0.803SS**PPolyproline II helixtrans-73.6142.3179.4-59.5176.87.500111
76V38.6Very low37.1Very low144 Ų144141.8 Ų141.887%0.87381%0.81SS**  trans-139.6126.1162-95.50000109
77Q37.7Very low37Very low181 Ų181138.8 Ų138.885%0.84681%0.809SS**  trans-92.4128177.4-66.7168.3-40.700110.1
78T34.6Very low36.9Very low146 Ų146142.2 Ų142.290%0.89681%0.811SS**  trans-145.1126.8150.631.50000109.4
79V34Very low36.8Very low130 Ų130144.2 Ų144.279%0.78881%0.814SS**  trans-106.6126172.8172.40000107.6
80Q33.3Very low37.3Very low191 Ų191142.6 Ų142.689%0.89380%0.803SS**  trans-164.1105.1149.1-111.215926.700113.6
81V30.9Very low37.9Very low125 Ų125145.9 Ų145.976%0.75881%0.81SS**  trans14.6122.7142-173.10000119.6
82S31.9Very low38.2Very low111 Ų111146 Ų14678%0.77681%0.812SS**  trans18.2129141.5-45.80000121.9
83S32.9Very low38.9Very low120 Ų120143.3 Ų143.384%0.83981%0.813SS**  -140.6138.2126.559.50000110.5
84L39.4Very low39.3Very low179 Ų179143 Ų14394%0.93781%0.811SS**  trans-96.3139.9172.3-67.1168.6000108.5
85S38.9Very low39.6Very low111 Ų111144.1 Ų144.178%0.77681%0.81SS**  trans-156.9108.1158.5-160.70000109.6
86E36.7Very low39.6Very low195 Ų195140.1 Ų140.191%0.91180%0.802SS**  trans-87.1131.4164.8-64178.211400107.6
87S37.3Very low40.2Very low110 Ų110140.7 Ų140.777%0.76980%0.799SS**  trans-157.8148.2173.3-70.40000109.1
88E41.2Very low40.9Very low191 Ų191135 Ų13589%0.89379%0.789SS**  trans-115.4153.5-157.5-55.9-175104.600113.5
89D38.8Very low41.4Very low146 Ų146132.2 Ų132.278%0.78178%0.776SS**  trans62159.7149.1-157.142.5000122.2
90S46.1Very low42Very low74 Ų74130.4 Ų130.452%0.51777%0.769SS.*  trans60.9107.1154-82.10000122.5
91Q49.5Very low42.8Very low189 Ų189129.1 Ų129.188%0.88376%0.763SS**  87.8167.1122.7-66.7-173.730.900121.2
92D46.2Very low44Very low143 Ų143132.4 Ų132.477%0.76577%0.767SS**  trans-68.1140.7-158.6179.833.8000115.1
93S48.2Very low44.7Very low118 Ų118131.4 Ų131.483%0.82577%0.765SS**  trans-157.8130.7157.3-1500000110.6
94S48.2Very low45.7Very low93 Ų93135.8 Ų135.865%0.6576%0.763SS**  trans-91.6171.3-179.6-73.30000112.9
95D47.2Very low46.5Very low147 Ų147130.2 Ų130.279%0.78675%0.749SS**  trans60.194.6170.8-69.8-40.6000118.9
96S39.5Very low47.2Very low98 Ų98132.8 Ų132.869%0.68575%0.752SS**  trans-141.965.2153.3-158.20000112.7G98S96-G98 PolarHBondContact O-N 2.9Å
97I52.2Low47.7Very low156 Ų156130.4 Ų130.480%0.875%0.745SS**THydrogen-bonded Turntrans-69.1-5.3177.560.4170.9000114.5
98G51.4Low48.7Very low63 Ų63129.8 Ų129.865%0.64975%0.747SS**THydrogen-bonded Turntrans-94.3-26.7-173.200000116.9S96S96-G98 PolarHBondContact O-N 2.9Å
99S46Very low49.8Very low87 Ų87131 Ų13161%0.60874%0.743SS**G310 helixtrans-78.9-37.2-165.8-174.20000114.3Q101 K102S99-Q101 PolarHBondContact O-N 3.34Å; S99-Q101 VanDerWaalsContact O-N 3.08Å; S99-K102 PolarHBondContact O-N 3.37Å
100S45.3Very low51.4Low91 Ų91134.6 Ų134.664%0.63675%0.746SS**G310 helixtrans-70.7-9.3-165.759.60000115.8
101Q50.7Low52.7Low164 Ų164134.5 Ų134.577%0.76674%0.743SS**G310 helixtrans-75.6-38.5175.6-64.6-167.4-0.900112.8S99 R104S99-Q101 PolarHBondContact O-N 3.34Å; S99-Q101 VanDerWaalsContact O-N 3.08Å; Q101-R104 PolarHBondContact O-N 3Å
102K56.3Low54Low195 Ų195129.2 Ų129.285%0.84873%0.727SS**G310 helixtrans-73.6-33.4-168.9-153.4172.2-174.2178.80113.1S99 R104 G105S99-K102 PolarHBondContact O-N 3.37Å; K102-R104 PolarHBondContact O-N 3.09Å; K102-G105 PolarHBondContact O-N 3.47Å
103A47.3Very low55.3Low89 Ų89130.8 Ų130.874%0.73672%0.724SS**G310 helixtrans-66.6-16.1176.700000114.1G105A103-G105 VanDerWaalsContact C-N 3.27Å; A103-G105 PolarHBondContact O-N 2.77Å
104R53.1Low56.7Low213 Ų213135.4 Ų135.480%0.80472%0.723SS**G310 helixtrans-80.4-4.1-179.4-163172.5-77-133.10.2113.4Q101 K102Q101-R104 PolarHBondContact O-N 3Å; K102-R104 PolarHBondContact O-N 3.09Å
105G55.4Low58.3Low62 Ų62136.3 Ų136.364%0.63972%0.715SS**G310 helixtrans-78.2-21.6-174.800000116.7K102 A103K102-G105 PolarHBondContact O-N 3.47Å; A103-G105 VanDerWaalsContact C-N 3.27Å; A103-G105 PolarHBondContact O-N 2.77Å
106I54.2Low59.8Low164 Ų164132.4 Ų132.484%0.84169%0.694SS**SBendtrans-82.3-18.9-172.9-61.9178.9000112.3A108I106-A108 PolarHBondContact O-N 2.85Å
107L48.4Very low61.4Low146 Ų146131.7 Ų131.776%0.76468%0.682SS**SBendtrans-8789.2168.8-144.578.1000109.4R109L107-R109 PolarHBondContact O-N 2.68Å
108A57.2Low62.7Low97 Ų97131.2 Ų131.280%0.80267%0.674SS**  trans-66.574.9-179.600000112.3I106 R110I106-A108 PolarHBondContact O-N 2.85Å; A108-R110 PolarHBondContact O-N 3.33Å
109R64.3Low63.9Low216 Ų216131.3 Ų131.382%0.81566%0.659SS**PPolyproline II helixtrans-59.6129.4170.9-57.6-177.477.4-1554.8108L107L107-R109 PolarHBondContact O-N 2.68Å
110R71.9Confident65.4Low222 Ų222132.3 Ų132.384%0.83866%0.657SS**PPolyproline II helixtrans-46136.1175.4-70.5179.368.8169.92109.8A108 S112A108-R110 PolarHBondContact O-N 3.33Å; R110-S112 PolarHBondContact O-N 3.21Å
111P73.7Confident66.6Low71 Ų71132.1 Ų132.146%0.46166%0.656SS.*PPolyproline II helixtrans-48.3137.9174.1-29.236.1000110.9K115 I116P111-K115 HydrophobicContact CB-CB 4.38Å; P111-K115 HydrophobicContact CB-CD 4.31Å; P111-K115 HydrophobicContact CB-CG 4.4Å; P111-I116 HydrophobicContact CB-CD1 4.35Å; P111-I116 HydrophobicContact CB-CG1 3.82Å
112S76.4Confident67.1Low78 Ų78127.3 Ų127.355%0.54564%0.64SS.*PPolyproline II helixtrans-62.1149.4177.4610000109.8R110 R114 K115 I116R110-S112 PolarHBondContact O-N 3.21Å; S112-R114 PolarHBondContact O-N 2.97Å; S112-R114 VanDerWaalsContact O-N 3.08Å; S112-K115 WeakPolarHBondContact O-CA 3.37Å; S112-K115 WeakPolarHBondContact O-CB 3.28Å; S112-K115 PolarHBondContact O-N 3.08Å; S112-I116 PolarHBondContact O-N 3.08Å
113Y74.9Confident67Low177 Ų177124.2 Ų124.269%0.69463%0.629SS**Hα-helixtrans-50.9-38.1-179.6178.5-118.9000112.7K115 I116 L117Y113-K115 VanDerWaalsContact C-N 3.34Å; Y113-K115 PolarHBondContact O-N 3.02Å; Y113-I116 PolarHBondContact O-N 3.31Å; Y113-L117 HydrophobicContact CD1-CD1 3.91Å; Y113-L117 HydrophobicContact CD2-CG 4.44Å; Y113-L117 HydrophobicContact CE1-CD1 3.42Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.42Å; Y113-L117 HydrophobicContact CE1-CG 4.19Å; Y113-L117 HydrophobicContact CE2-CD1 4.17Å; Y113-L117 HydrophobicContact CE2-CD2 4.44Å; Y113-L117 HydrophobicContact CE2-CG 4.03Å; Y113-L117 HydrophobicContact CG-CD1 4.47Å; Y113-L117 WeakPolarHBondContact O-CB 3.45Å; Y113-L117 PolarHBondContact O-N 3.27Å
114R78.1Confident67.2Low214 Ų214126.8 Ų126.881%0.80863%0.63SS**Hα-helixtrans-65.2-30.2174.9-166.5177.3-171.2176.74.5114S112 K118S112-R114 PolarHBondContact O-N 2.97Å; S112-R114 VanDerWaalsContact O-N 3.08Å; R114-K118 WeakPolarHBondContact O-CB 3.4Å; R114-K118 PolarHBondContact O-N 3.24Å
115K79.9Confident67.2Low113 Ų113122.1 Ų122.149%0.49163%0.626SS.*Hα-helixtrans-73.1-49.3171.1179170.3175.2-177.30110.3P111 S112 Y113 L117 K118 D119P111-K115 HydrophobicContact CB-CB 4.38Å; P111-K115 HydrophobicContact CB-CD 4.31Å; P111-K115 HydrophobicContact CB-CG 4.4Å; S112-K115 WeakPolarHBondContact O-CA 3.37Å; S112-K115 WeakPolarHBondContact O-CB 3.28Å; S112-K115 PolarHBondContact O-N 3.08Å; Y113-K115 VanDerWaalsContact C-N 3.34Å; Y113-K115 PolarHBondContact O-N 3.02Å; K115-L117 VanDerWaalsContact C-N 3.32Å; K115-L117 PolarHBondContact O-N 3.08Å; K115-K118 WeakPolarHBondContact O-CA 3.41Å; K115-K118 PolarHBondContact O-N 3.28Å; K115-D119 WeakPolarHBondContact CE-OD2 3.17Å; K115-D119 VanDerWaalsContact CG-OD2 3.29Å; K115-D119 WeakPolarHBondContact CG-OD2 3.48Å; K115-D119 PolarHBondContact O-N 3.34Å
116I79.5Confident67.2Low65 Ų65128.2 Ų128.233%0.33363%0.629SS.*Hα-helixtrans-56.9-45.9179.4-55.8175.3000110.9P111 S112 Y113 K118 D119 L120P111-I116 HydrophobicContact CB-CD1 4.35Å; P111-I116 HydrophobicContact CB-CG1 3.82Å; S112-I116 PolarHBondContact O-N 3.08Å; Y113-I116 PolarHBondContact O-N 3.31Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 3.07Å; I116-D119 PolarHBondContact O-N 3.43Å; I116-L120 HydrophobicContact CG2-CD1 3.98Å; I116-L120 HydrophobicContact CG2-CG 4.44Å; I116-L120 WeakPolarHBondContact O-CB 3.06Å; I116-L120 VanDerWaalsContact O-CG 3.28Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 2.79Å
117L73.3Confident67Low83 Ų83128.3 Ų128.344%0.43563%0.631SS.*Hα-helixtrans-58.8-40.6173.5-82.7175.5000113.1Y113 K115 S121Y113-L117 HydrophobicContact CD1-CD1 3.91Å; Y113-L117 HydrophobicContact CD2-CG 4.44Å; Y113-L117 HydrophobicContact CE1-CD1 3.42Å; Y113-L117 VanDerWaalsContact CE1-CD1 3.42Å; Y113-L117 HydrophobicContact CE1-CG 4.19Å; Y113-L117 HydrophobicContact CE2-CD1 4.17Å; Y113-L117 HydrophobicContact CE2-CD2 4.44Å; Y113-L117 HydrophobicContact CE2-CG 4.03Å; Y113-L117 HydrophobicContact CG-CD1 4.47Å; Y113-L117 WeakPolarHBondContact O-CB 3.45Å; Y113-L117 PolarHBondContact O-N 3.27Å; K115-L117 VanDerWaalsContact C-N 3.32Å; K115-L117 PolarHBondContact O-N 3.08Å; L117-S121 WeakPolarHBondContact O-CB 3.46Å; L117-S121 PolarHBondContact O-N 2.88Å; L117-S121 PolarHBondContact O-OG 3.33Å
118K79.6Confident66.9Low146 Ų146133.1 Ų133.164%0.63564%0.639SS**Hα-helixtrans-68-48.3179.2-172.7-177176.8-173.20110.8R114 K115 I116 L120 S121 S122R114-K118 WeakPolarHBondContact O-CB 3.4Å; R114-K118 PolarHBondContact O-N 3.24Å; K115-K118 WeakPolarHBondContact O-CA 3.41Å; K115-K118 PolarHBondContact O-N 3.28Å; I116-K118 VanDerWaalsContact C-N 3.33Å; I116-K118 PolarHBondContact O-N 3.07Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 3.47Å; K118-S121 WeakPolarHBondContact CA-OG 3.41Å; K118-S121 PolarHBondContact O-N 2.98Å; K118-S121 VanDerWaalsContact O-N 3.09Å; K118-S121 PolarHBondContact O-OG 3Å; K118-S122 PolarHBondContact O-N 2.82Å; K118-S122 VanDerWaalsContact O-N 3.16Å; K118-S122 PolarHBondContact O-OG 3.01Å
119D76.4Confident66.4Low64 Ų64138.6 Ų138.634%0.34265%0.645SS.*Hα-helixtrans-59.2-48-178.7-59.2-10.9000109.4K115 I116 S121 S122 E123K115-D119 WeakPolarHBondContact CE-OD2 3.17Å; K115-D119 VanDerWaalsContact CG-OD2 3.29Å; K115-D119 WeakPolarHBondContact CG-OD2 3.48Å; K115-D119 PolarHBondContact O-N 3.34Å; I116-D119 PolarHBondContact O-N 3.43Å; D119-S121 PolarHBondContact O-N 2.96Å; D119-S122 PolarHBondContact O-N 3.03Å; D119-S122 PolarHBondContact O-OG 3.07Å; D119-E123 PolarHBondContact O-N 3.01Å
120L76.7Confident65.1Low109 Ų109131.5 Ų131.557%0.57164%0.639SS**Hα-helixtrans-56.7-42.8171.8-72170.8000113I116 K118 S122 E123I116-L120 HydrophobicContact CG2-CD1 3.98Å; I116-L120 HydrophobicContact CG2-CG 4.44Å; I116-L120 WeakPolarHBondContact O-CB 3.06Å; I116-L120 VanDerWaalsContact O-CG 3.28Å; I116-L120 WeakPolarHBondContact O-CG 3.47Å; I116-L120 PolarHBondContact O-N 2.79Å; K118-L120 VanDerWaalsContact C-N 3.35Å; K118-L120 PolarHBondContact O-N 3.47Å; L120-S122 PolarHBondContact O-N 3.26Å; L120-E123 PolarHBondContact O-N 3.46Å
121S71.9Confident63.3Low86 Ų86128.4 Ų128.460%0.60164%0.639SS**Hα-helixtrans-68.2-10.817871.60000114.7L117 K118 D119L117-S121 WeakPolarHBondContact O-CB 3.46Å; L117-S121 PolarHBondContact O-N 2.88Å; L117-S121 PolarHBondContact O-OG 3.33Å; K118-S121 WeakPolarHBondContact CA-OG 3.41Å; K118-S121 PolarHBondContact O-N 2.98Å; K118-S121 VanDerWaalsContact O-N 3.09Å; K118-S121 PolarHBondContact O-OG 3Å; D119-S121 PolarHBondContact O-N 2.96Å
122S61.2Low61.7Low63 Ų63133 Ų13344%0.44166%0.655SS.*Hα-helixtrans-100.1-29.2170.539.50000113.7K118 D119 L120 D124 T125K118-S122 PolarHBondContact O-N 2.82Å; K118-S122 VanDerWaalsContact O-N 3.16Å; K118-S122 PolarHBondContact O-OG 3.01Å; D119-S122 PolarHBondContact O-N 3.03Å; D119-S122 PolarHBondContact O-OG 3.07Å; L120-S122 PolarHBondContact O-N 3.26Å; S122-D124 PolarHBondContact O-N 3.05Å; S122-T125 PolarHBondContact O-OG1 3.09Å
123E53.1Low59.9Low131 Ų131137.6 Ų137.661%0.61267%0.668SS**Hα-helixtrans-73.3-9.8-178.3-137.569.3-127.900113.5D119 L120 T125D119-E123 PolarHBondContact O-N 3.01Å; L120-E123 PolarHBondContact O-N 3.46Å; E123-T125 PolarHBondContact O-N 3.4Å
124D52.8Low58.2Low143 Ų143133.9 Ų133.977%0.76567%0.667SS**THydrogen-bonded Turntrans-79.310.7177.5-124-31000114.1S122S122-D124 PolarHBondContact O-N 3.05Å
125T53.2Low56.7Low115 Ų115129.5 Ų129.571%0.70667%0.667SS**THydrogen-bonded Turntrans-123.66.5-176.361.90000114.5S122 E123S122-T125 PolarHBondContact O-OG1 3.09Å; E123-T125 PolarHBondContact O-N 3.4Å
126R54.1Low54.8Low190 Ų190127.5 Ų127.572%0.71768%0.678SS**SBendtrans-136.1149.4177.5-60.1-174.3-177.4-158.9-3.6109.4
127D51Low52.9Low165 Ų165130.7 Ų130.788%0.88270%0.7SS**  trans59.261173.2-53.6-36.4000117.2
128R45.9Very low51.2Low248 Ų248132 Ų13294%0.93672%0.716SS**  trans-11484.7158.9-93.4-76.6-168.4164.61.9111.2
129K46.6Very low49.4Very low212 Ų212130.7 Ų130.792%0.92272%0.72SS**  trans-151.4116.9161.8-166.7175.4-177.1-178.40112.1
130G35.8Very low47.7Very low67 Ų67133.8 Ų133.869%0.69174%0.741SS**  trans77.4147.1-174.600000113.1
131D36Very low45.9Very low156 Ų156133 Ų13383%0.83474%0.742SS**  cis-155.5-172.1-27.8-138.1-28.1000109.4
132E40.2Very low44.3Very low169 Ų169134.3 Ų134.379%0.7975%0.75SS**  trans-34.2152.6-172.1-70.3-171.6105.700122.6
133E37.9Very low43.1Very low174 Ų174138.3 Ų138.381%0.81376%0.764SS**  trans59.2113.7143.9-158.2179.613900122.5
134S39.3Very low42.8Very low99 Ų99137.6 Ų137.669%0.69277%0.773SS**  163.7133.1106.7-164.80000113.4G136S134-G136 PolarHBondContact O-N 2.6Å
135P47.3Very low42.7Very low122 Ų122136.6 Ų136.679%0.79277%0.772SS**  trans-93.286.1-179.535.7-33.3000113.8
136G38.5Very low42.7Very low70 Ų70136.6 Ų136.672%0.72277%0.774SS**  trans-75.2120.3174.100000113.8S134 S138S134-G136 PolarHBondContact O-N 2.6Å; G136-S138 PolarHBondContact O-N 2.96Å
137V40.5Very low43Very low132 Ų132131 Ų13180%0.876%0.761SS**  trans-77.1120.5-178.9175.50000112.2T139V137-T139 PolarHBondContact O-N 3.09Å
138S37.9Very low43.4Very low110 Ų110126.2 Ų126.277%0.76974%0.739SS**  trans-73.588.4174.2-67.70000112.7G136 V140G136-S138 PolarHBondContact O-N 2.96Å; S138-V140 PolarHBondContact O-N 2.88Å
139T41Very low44.4Very low119 Ų119119.7 Ų119.773%0.7372%0.721SS**  trans-69.397.6171.1-58.50000110.9V137 T141V137-T139 PolarHBondContact O-N 3.09Å; T139-T141 PolarHBondContact O-N 2.89Å; T139-T141 VanDerWaalsContact O-N 3.16Å
140V41.6Very low45.2Very low129 Ų129115.5 Ų115.578%0.78270%0.701SS**  trans-79.793.9174.7-177.50000109.9S138 S142S138-V140 PolarHBondContact O-N 2.88Å; V140-S142 PolarHBondContact O-N 3.3Å
141T39.1Very low46.8Very low94 Ų94117.9 Ų117.958%0.57769%0.694SS**  trans-67.8103171.5-54.30000110.1T139 M143T139-T141 PolarHBondContact O-N 2.89Å; T139-T141 VanDerWaalsContact O-N 3.16Å; T141-M143 HydrophobicContact CG2-CE 3.62Å; T141-M143 HydrophobicContact CG2-SD 4.07Å; T141-M143 PolarHBondContact O-N 2.98Å; T141-M143 VanDerWaalsContact O-N 3.08Å
142S38.2Very low48.3Very low112 Ų112112.2 Ų112.278%0.78367%0.665SS**  trans-70.7101176.1-169.90000110.5V140 S144V140-S142 PolarHBondContact O-N 3.3Å; S142-S144 PolarHBondContact O-N 3.22Å
143M34.6Very low48.8Very low148 Ų148110.5 Ų110.573%0.72967%0.672SS**  trans-74.6106.8177.2-63-6217700109.8T141 V145T141-M143 HydrophobicContact CG2-CE 3.62Å; T141-M143 HydrophobicContact CG2-SD 4.07Å; T141-M143 PolarHBondContact O-N 2.98Å; T141-M143 VanDerWaalsContact O-N 3.08Å; M143-V145 PolarHBondContact O-N 3.46Å
144S47.2Very low50.1Low115 Ų115106.8 Ų106.880%0.80466%0.661SS**PPolyproline II helixtrans-65.1118.1175.6-169.90000110.4S142S142-S144 PolarHBondContact O-N 3.22Å
145V50.3Low51.1Low122 Ų122103 Ų10374%0.73964%0.638SS**PPolyproline II helixtrans-80.6124.9177.2-1780000108.5M143 T147M143-V145 PolarHBondContact O-N 3.46Å; V145-T147 PolarHBondContact O-N 2.97Å
146P53.3Low52.1Low116 Ų116100.2 Ų100.275%0.75361%0.614SS**PPolyproline II helixtrans-63.3124.5178.625.4-33.5000110.6
147T60Low53.1Low72 Ų72102.1 Ų102.144%0.44260%0.6SS.*PPolyproline II helixtrans-65127.717846.70000110.6V145 I149 A161V145-T147 PolarHBondContact O-N 2.97Å; T147-I149 PolarHBondContact O-N 2.75Å; T147-A161 HydrophobicContact CG2-CB 4.1Å
148P60.3Low54.3Low64 Ų6497.7 Ų97.742%0.41657%0.572SS.*PPolyproline II helixtrans-67.9134.8179.228.7-34.3000111Y150P148-Y150 HydrophobicContact CB-CE2 3.81Å; P148-Y150 HydrophobicContact CG-CE2 3.86Å
149I66.2Low55.4Low111 Ų11193.3 Ų93.357%0.56954%0.542SS*.EExtended strand (participates in β ladder)trans-107.6128.2174.6-55.1177.2000107.9T147 Y157 I158 A159T147-I149 PolarHBondContact O-N 2.75Å; I149-Y157 HydrophobicContact CG2-CD1 4.08Å; I149-I158 WeakPolarHBondContact CA-O 3.29Å; I149-A159 HydrophobicContact CG1-CB 4.33Å
150Y64.9Low56.5Low125 Ų12591.8 Ų91.849%0.4953%0.529SS..EExtended strand (participates in β ladder)trans-112.1133.6179.5-57-86.5000109.6P148 I158 I160P148-Y150 HydrophobicContact CB-CE2 3.81Å; P148-Y150 HydrophobicContact CG-CE2 3.86Å; Y150-I158 PolarHBondContact N-O 3.39Å; Y150-I158 PolarHBondContact O-N 3.08Å; Y150-I160 HydrophobicContact CD2-CD1 4.21Å; Y150-I160 HydrophobicContact CD2-CG1 4.39Å; Y150-I160 HydrophobicContact CE2-CD1 3.9Å; Y150-I160 HydrophobicContact CE2-CG1 4.28Å
151Q67.8Low57.3Low117 Ų11786.7 Ų86.755%0.54750%0.5SS..EExtended strand (participates in β ladder)trans-99.1134174.7-163.5174.111.400110.5G155 Q156 Y157Q151-G155 PolarHBondContact NE2-O 3.21Å; Q151-Q156 CarbonylContact C-O 3.59Å; Q151-Q156 WeakPolarHBondContact CA-O 2.96Å; Q151-Y157 HydrophobicContact CB-CD1 4.09Å; Q151-Y157 HydrophobicContact CB-CE1 4.02Å; Q151-Y157 VanDerWaalsContact CD-CE1 3.44Å; Q151-Y157 HydrophobicContact CG-CD1 4Å; Q151-Y157 HydrophobicContact CG-CE1 3.73Å; Q151-Y157 VanDerWaalsContact NE2-CZ 3.28Å; Q151-Y157 PolarHBondContact NE2-OH 2.75Å; Q151-Y157 VanDerWaalsContact NE2-OH 3.08Å
152T67.8Low57.6Low37 Ų3787.9 Ų87.923%0.22752%0.52CS..  trans-78.7163.6174.5680000111.4T154 G155 Q156 I158T152-T154 PolarHBondContact O-N 3.48Å; T152-T154 VanDerWaalsContact O-N 3.14Å; T152-T154 PolarHBondContact OG1-N 2.86Å; T152-T154 PolarHBondContact OG1-OG1 3.02Å; T152-G155 PolarHBondContact O-N 3.15Å; T152-G155 PolarHBondContact OG1-N 3.41Å; T152-Q156 HydrophobicContact CG2-CB 4.14Å; T152-Q156 PolarHBondContact N-O 3.36Å; T152-Q156 WeakPolarHBondContact OG1-CB 3.29Å; T152-Q156 PolarHBondContact OG1-N 3.03Å; T152-I158 HydrophobicContact CG2-CD1 3.6Å; T152-I158 HydrophobicContact CG2-CG1 4.15Å
153S50.3Low58.3Low133 Ų13387.1 Ų87.193%0.9351%0.507SS*.THydrogen-bonded Turntrans-63-12.3167.751.10000113.9
154T65.9Low59.3Low96 Ų9681.1 Ų81.159%0.58948%0.483SS*.THydrogen-bonded Turntrans-95.78.1172.454.90000113.1T152 Q156T152-T154 PolarHBondContact O-N 3.48Å; T152-T154 VanDerWaalsContact O-N 3.14Å; T152-T154 PolarHBondContact OG1-N 2.86Å; T152-T154 PolarHBondContact OG1-OG1 3.02Å; T154-Q156 VanDerWaalsContact C-N 3.3Å; T154-Q156 PolarHBondContact O-N 2.98Å
155G61.5Low59.6Low20 Ų2079.5 Ų79.521%0.20647%0.465CS..SBendtrans79.42.1176.100000115.7Q151 T152Q151-G155 PolarHBondContact NE2-O 3.21Å; T152-G155 PolarHBondContact O-N 3.15Å; T152-G155 PolarHBondContact OG1-N 3.41Å
156Q66.9Low59.9Low62 Ų6277.1 Ų77.129%0.2945%0.446SS..  trans-75144.4177.7-59.7168.111.100110.4Q151 T152 T154Q151-Q156 CarbonylContact C-O 3.59Å; Q151-Q156 WeakPolarHBondContact CA-O 2.96Å; T152-Q156 HydrophobicContact CG2-CB 4.14Å; T152-Q156 PolarHBondContact N-O 3.36Å; T152-Q156 WeakPolarHBondContact OG1-CB 3.29Å; T152-Q156 PolarHBondContact OG1-N 3.03Å; T154-Q156 VanDerWaalsContact C-N 3.3Å; T154-Q156 PolarHBondContact O-N 2.98Å
157Y61Low60.1Low110 Ų11074.6 Ų74.643%0.43143%0.426SS..EExtended strand (participates in β ladder)trans-102.2129.9176.6-65-81.1000110.6I149 Q151 A168I149-Y157 HydrophobicContact CG2-CD1 4.08Å; Q151-Y157 HydrophobicContact CB-CD1 4.09Å; Q151-Y157 HydrophobicContact CB-CE1 4.02Å; Q151-Y157 VanDerWaalsContact CD-CE1 3.44Å; Q151-Y157 HydrophobicContact CG-CD1 4Å; Q151-Y157 HydrophobicContact CG-CE1 3.73Å; Q151-Y157 VanDerWaalsContact NE2-CZ 3.28Å; Q151-Y157 PolarHBondContact NE2-OH 2.75Å; Q151-Y157 VanDerWaalsContact NE2-OH 3.08Å; Y157-A168 PolarHBondContact N-O 2.93Å; Y157-A168 PolarHBondContact O-N 2.85Å
158I65.4Low59.7Low39 Ų3973.4 Ų73.420%0.242%0.423CS..EExtended strand (participates in β ladder)trans-117114.5-178.2-56.8179.4000108.2I149 Y150 T152 I160 L165 Q166 L167I149-I158 WeakPolarHBondContact CA-O 3.29Å; Y150-I158 PolarHBondContact N-O 3.39Å; Y150-I158 PolarHBondContact O-N 3.08Å; T152-I158 HydrophobicContact CG2-CD1 3.6Å; T152-I158 HydrophobicContact CG2-CG1 4.15Å; I158-I160 HydrophobicContact CG2-CG1 4.37Å; I158-L165 HydrophobicContact CG2-CD2 3.37Å; I158-Q166 WeakPolarHBondContact CA-O 3.24Å; I158-L167 HydrophobicContact CB-CD1 4.45Å; I158-L167 HydrophobicContact CD1-CD1 4.33Å; I158-L167 HydrophobicContact CG1-CD1 3.86Å; I158-L167 HydrophobicContact CG1-CG 4.26Å; I158-L167 HydrophobicContact CG2-CD1 4.14Å
159A60.1Low59.1Low19 Ų1974.5 Ų74.516%0.15743%0.432CS..EExtended strand (participates in β ladder)trans-101.9126.9170.500000109.9I149 Q166I149-A159 HydrophobicContact CG1-CB 4.33Å; A159-Q166 HydrophobicContact CB-CB 4.41Å; A159-Q166 PolarHBondContact N-O 2.87Å; A159-Q166 PolarHBondContact O-N 2.9Å
160I63.3Low57.8Low87 Ų8773.7 Ų73.745%0.44643%0.434SS..EExtended strand (participates in β ladder)trans-102.7100.9173.8-52.8-179.4000107.6Y150 I158 L165Y150-I160 HydrophobicContact CD2-CD1 4.21Å; Y150-I160 HydrophobicContact CD2-CG1 4.39Å; Y150-I160 HydrophobicContact CE2-CD1 3.9Å; Y150-I160 HydrophobicContact CE2-CG1 4.28Å; I158-I160 HydrophobicContact CG2-CG1 4.37Å; I160-L165 HydrophobicContact CG1-CD2 3.93Å
161A58.6Low56.8Low21 Ų2171.1 Ų71.117%0.17445%0.446CS..EExtended strand (participates in β ladder)trans-104159.417900000110.8T147 N163 G164T147-A161 HydrophobicContact CG2-CB 4.1Å; A161-N163 WeakPolarHBondContact CB-OD1 3.28Å; A161-N163 PolarHBondContact O-N 3.03Å; A161-G164 PolarHBondContact N-O 2.81Å; A161-G164 PolarHBondContact O-N 3.47Å; A161-G164 VanDerWaalsContact O-O 3.11Å
162A47Very low55.4Low120 Ų12072.1 Ų72.199%0.99246%0.46SS*.THydrogen-bonded Turntrans-62.7-12.9-179.400000114.1
163N51.7Low54.2Low95 Ų9578.3 Ų78.351%0.50849%0.492SS..THydrogen-bonded Turntrans-105.8-2.2176.263-16.6000114.3A161 T182A161-N163 WeakPolarHBondContact CB-OD1 3.28Å; A161-N163 PolarHBondContact O-N 3.03Å; N163-T182 WeakPolarHBondContact O-CG2 3.46Å; N163-T182 PolarHBondContact O-OG1 3.39Å
164G56.2Low53.4Low23 Ų2375.6 Ų75.624%0.23748%0.484CS..EExtended strand (participates in β ladder)trans154-175.9176.500000115.9A161A161-G164 PolarHBondContact N-O 2.81Å; A161-G164 PolarHBondContact O-N 3.47Å; A161-G164 VanDerWaalsContact O-O 3.11Å
165L52.7Low52.4Low80 Ų8078.3 Ų78.342%0.41950%0.501SS..EExtended strand (participates in β ladder)trans-99.2125175.3-109165.7000109.3I158 I160I158-L165 HydrophobicContact CG2-CD2 3.37Å; I160-L165 HydrophobicContact CG1-CD2 3.93Å
166Q57.1Low51.4Low73 Ų7383.9 Ų83.934%0.34152%0.521SS..EExtended strand (participates in β ladder)trans-113.4125174.7-62.6177.232.900109.3I158 A159I158-Q166 WeakPolarHBondContact CA-O 3.24Å; A159-Q166 HydrophobicContact CB-CB 4.41Å; A159-Q166 PolarHBondContact N-O 2.87Å; A159-Q166 PolarHBondContact O-N 2.9Å
167L57.6Low50.2Low63 Ų6383.3 Ų83.333%0.3353%0.532SS..EExtended strand (participates in β ladder)trans-105128.1170.8-106.568.5000109.4I158I158-L167 HydrophobicContact CB-CD1 4.45Å; I158-L167 HydrophobicContact CD1-CD1 4.33Å; I158-L167 HydrophobicContact CG1-CD1 3.86Å; I158-L167 HydrophobicContact CG1-CG 4.26Å; I158-L167 HydrophobicContact CG2-CD1 4.14Å
168A51.6Low49.3Very low47 Ų4784.8 Ų84.839%0.38855%0.547SS..EExtended strand (participates in β ladder)trans-119.1120.8172.100000110.1Y157Y157-A168 PolarHBondContact N-O 2.93Å; Y157-A168 PolarHBondContact O-N 2.85Å
169S47.7Very low48.6Very low86 Ų8686.2 Ų86.260%0.60155%0.553SS**  trans-92.8138.1176.1-66.20000110.8G171S169-G171 PolarHBondContact O-N 2.82Å; S169-G171 VanDerWaalsContact O-N 3.09Å
170P38.5Very low47.7Very low95 Ų9588.7 Ų88.762%0.61757%0.566SS**  trans-76.395.3173.230.7-33.2000110.5
171G44Very low47.2Very low71 Ų7186.2 Ų86.273%0.73255%0.554SS**  trans-123133.3172.100000111S169S169-G171 PolarHBondContact O-N 2.82Å; S169-G171 VanDerWaalsContact O-N 3.09Å
172T39.4Very low46.3Very low137 Ų13787.2 Ų87.284%0.8456%0.558SS**  trans-82.9133.1177.248.20000111.4
173D40.8Very low45.9Very low168 Ų16888.1 Ų88.190%0.89854%0.543SS*.SBendtrans50.8118.4169.8-65.1-37.1000118.2
174G35.2Very low45.3Very low75 Ų7589.1 Ų89.177%0.77355%0.552SS**SBendtrans114.7122.2170.700000113.5Q176G174-Q176 PolarHBondContact O-N 3.39Å
175V44.9Very low44.5Very low154 Ų15494.4 Ų94.493%0.93358%0.575SS**SBendtrans-60.199.7-179.9179.60000111.9
176Q40.5Very low43.6Very low136 Ų13695.6 Ų95.664%0.63660%0.597SS**  trans-159.5155.6156-88.5-57.84.800110.5G174G174-Q176 PolarHBondContact O-N 3.39Å
177G41.7Very low42.8Very low51 Ų5195 Ų9553%0.52661%0.61SS.*  trans99.414.9158.800000119.5Q179G177-Q179 VanDerWaalsContact C-N 3.34Å; G177-Q179 PolarHBondContact O-N 3.23Å
178L41.5Very low41.9Very low140 Ų14094.9 Ų94.973%0.73362%0.624SS**  trans-76.383.1169.6-166.278.5000110.8T180L178-T180 VanDerWaalsContact C-N 3.33Å; L178-T180 PolarHBondContact O-N 3.36Å
179Q50.1Low41.1Very low69 Ų69100 Ų10032%0.32265%0.651SS.*EExtended strand (participates in β ladder)trans-82.574.7-173.9-165.4147.8109.400112.4G177 L181 Y198G177-Q179 VanDerWaalsContact C-N 3.34Å; G177-Q179 PolarHBondContact O-N 3.23Å; Q179-L181 HydrophobicContact CG-CG 4.42Å; Q179-L181 PolarHBondContact O-N 3.41Å; Q179-Y198 PolarHBondContact NE2-O 2.98Å
180T41.1Very low40.8Very low72 Ų72104 Ų10444%0.44266%0.66SS.*EExtended strand (participates in β ladder)trans-67.5113.7172.8-71.70000111.1L178L178-T180 VanDerWaalsContact C-N 3.33Å; L178-T180 PolarHBondContact O-N 3.36Å
181L53.1Low40.8Very low35 Ų35106.1 Ų106.118%0.18367%0.674CS.*EExtended strand (participates in β ladder)trans-102.377.3179.4-67.5158.4000109.8Q179 I195 L196Q179-L181 HydrophobicContact CG-CG 4.42Å; Q179-L181 PolarHBondContact O-N 3.41Å; L181-I195 HydrophobicContact CD2-CG2 3.92Å; L181-L196 VanDerWaalsContact CD2-O 3.29Å; L181-L196 WeakPolarHBondContact CD2-O 3.4Å
182T40.9Very low40.8Very low42 Ų42105.9 Ų105.926%0.25867%0.672SS.*  trans-144.3122.9-177.9-64.40000111.7N163N163-T182 WeakPolarHBondContact O-CG2 3.46Å; N163-T182 PolarHBondContact O-OG1 3.39Å
183M38.6Very low41Very low139 Ų139105.5 Ų105.569%0.68567%0.669SS**  trans-144.7111.1154.2-88.6-65.7106.700109.3L196M183-L196 HydrophobicContact CG-CD1 4.44Å
184T37.8Very low41.1Very low115 Ų115101.7 Ų101.771%0.70665%0.652SS**  trans-90111.3172.8-63.60000109.2A186T184-A186 PolarHBondContact O-N 3.5Å
185N39Very low41.7Very low134 Ų134102.3 Ų102.372%0.71764%0.637SS**  trans-7595.6172.5-176.838.3000110.6G187N185-G187 PolarHBondContact O-N 2.85Å
186A35.6Very low41.8Very low105 Ų10597.9 Ų97.987%0.86861%0.608SS**SBendtrans-74.661.4174.500000111.6T184T184-A186 PolarHBondContact O-N 3.5Å
187G39.4Very low42.1Very low61 Ų6195.6 Ų95.663%0.62960%0.597SS**SBendtrans-169.739.3-16800000114.8N185N185-G187 PolarHBondContact O-N 2.85Å
188G38.7Very low42.5Very low60 Ų6097.8 Ų97.862%0.61959%0.59SS**SBendtrans175147.2175.700000113.6Q190G188-Q190 PolarHBondContact O-N 2.93Å; G188-Q190 VanDerWaalsContact O-N 3.08Å
189T35.2Very low42.7Very low155 Ų15593.3 Ų93.395%0.95157%0.573SS**SBendtrans-84.339-173.7450000114.3
190Q40.8Very low42.3Very low170 Ų17094.2 Ų94.279%0.79458%0.577SS**SBendtrans-142.2132.1172.3-65.9-165.931.400112.5G188 G192G188-Q190 PolarHBondContact O-N 2.93Å; G188-Q190 VanDerWaalsContact O-N 3.08Å; Q190-G192 VanDerWaalsContact C-N 3.34Å; Q190-G192 PolarHBondContact O-N 3.27Å
191P39Very low42.8Very low140 Ų14092.8 Ų92.891%0.90957%0.568SS**  trans-81.575.7176.634-34.8000111.5
192G44.2Very low42.5Very low66 Ų6697.2 Ų97.268%0.6860%0.602SS**  trans-97.9119171.200000111.8Q190 T194Q190-G192 VanDerWaalsContact C-N 3.34Å; Q190-G192 PolarHBondContact O-N 3.27Å; G192-T194 PolarHBondContact O-N 3.02Å
193T42.8Very low42.7Very low129 Ų129100.6 Ų100.679%0.79162%0.619SS**  trans-88.5100.4177.2530000111.4
194T42.6Very low43.4Very low88 Ų8896.2 Ų96.254%0.5461%0.61SS.*  trans-79.2133169.1-56.80000109.8G192G192-T194 PolarHBondContact O-N 3.02Å
195I47.8Very low43.8Very low88 Ų8897.1 Ų97.145%0.45161%0.606SS.*  trans-114.1116.8-177.5-57.5179.3000108.7L181 S211L181-I195 HydrophobicContact CD2-CG2 3.92Å; I195-S211 WeakPolarHBondContact O-CB 3.46Å; I195-S211 PolarHBondContact O-OG 2.88Å
196L46.8Very low44.1Very low61 Ų6196.8 Ų96.832%0.31960%0.6SS.*  trans-100.3101.8177.8-66.1173.7000109.4L181 M183 Y198 L208L181-L196 VanDerWaalsContact CD2-O 3.29Å; L181-L196 WeakPolarHBondContact CD2-O 3.4Å; M183-L196 HydrophobicContact CG-CD1 4.44Å; L196-Y198 HydrophobicContact CB-CE2 4.21Å; L196-L208 HydrophobicContact CD2-CD1 4.44Å
197Q47.6Very low44.9Very low87 Ų8796.1 Ų96.141%0.40758%0.581SS.*  trans-84.5118.5177.6-156.58152.100110
198Y49.8Very low45.4Very low98 Ų9898.4 Ų98.438%0.38458%0.578SS.*EExtended strand (participates in β ladder)trans-91.2108172-69-91.8000109.4Q179 L196 L208Q179-Y198 PolarHBondContact NE2-O 2.98Å; L196-Y198 HydrophobicContact CB-CE2 4.21Å; Y198-L208 HydrophobicContact CE1-CD1 4.1Å
199A46.8Very low46Very low46 Ų4696.3 Ų96.338%0.3855%0.553SS.*EExtended strand (participates in β ladder)trans-87.8114.3169.600000108.5I207 V209A199-I207 PolarHBondContact N-O 3.27Å; A199-I207 PolarHBondContact O-N 3.4Å; A199-V209 HydrophobicContact CB-CG2 4.12Å
200Q41.7Very low46.7Very low88 Ų8892.9 Ų92.941%0.41153%0.534SS..EExtended strand (participates in β ladder)trans-92.7122.7173.1179.6168.4-16.400108.8
201T50.6Low47.3Very low41 Ų4187.6 Ų87.625%0.25252%0.515SS..  trans-77.3163.9175.659.60000111D203 G204 Q205 I207T201-D203 VanDerWaalsContact CB-OD2 3.28Å; T201-D203 WeakPolarHBondContact CB-OD2 3.46Å; T201-D203 PolarHBondContact O-N 3.3Å; T201-D203 PolarHBondContact OG1-OD2 3.2Å; T201-G204 PolarHBondContact O-N 2.74Å; T201-G204 VanDerWaalsContact O-N 3.09Å; T201-Q205 PolarHBondContact N-O 2.85Å; T201-Q205 PolarHBondContact OG1-N 2.85Å; T201-Q205 PolarHBondContact OG1-O 3.14Å; T201-I207 HydrophobicContact CG2-CD1 3.82Å; T201-I207 HydrophobicContact CG2-CG1 4.37Å
202S46.4Very low48.2Very low129 Ų12984.1 Ų84.190%0.90249%0.489SS*.THydrogen-bonded Turntrans-50.6-26.5172.7310000114.4
203D46.2Very low48.3Very low112 Ų11284.7 Ų84.760%0.59947%0.474SS*.THydrogen-bonded Turntrans-98.59.8-171.628.8-71000112.2T201 Q205T201-D203 VanDerWaalsContact CB-OD2 3.28Å; T201-D203 WeakPolarHBondContact CB-OD2 3.46Å; T201-D203 PolarHBondContact O-N 3.3Å; T201-D203 PolarHBondContact OG1-OD2 3.2Å; D203-Q205 VanDerWaalsContact C-N 3.26Å; D203-Q205 PolarHBondContact O-N 3.14Å
204G53.1Low48.9Very low48 Ų4881.7 Ų81.750%0.49546%0.455SS..SBendtrans80.5-3.5169.800000115.4T201T201-G204 PolarHBondContact O-N 2.74Å; T201-G204 VanDerWaalsContact O-N 3.09Å
205Q46.4Very low49.4Very low133 Ų13380.8 Ų80.862%0.62145%0.45SS*.  trans-72.3137.6174.4-63.5-7611.700110.3T201 D203T201-Q205 PolarHBondContact N-O 2.85Å; T201-Q205 PolarHBondContact OG1-N 2.85Å; T201-Q205 PolarHBondContact OG1-O 3.14Å; D203-Q205 VanDerWaalsContact C-N 3.26Å; D203-Q205 PolarHBondContact O-N 3.14Å
206Q44.9Very low49.6Very low127 Ų12779.8 Ų79.859%0.59345%0.447SS*.EExtended strand (participates in β ladder)trans-96.9110.5173-67.1-174.2-1.900109.7
207I51.8Low49.4Very low92 Ų9282.7 Ų82.747%0.47246%0.46SS..EExtended strand (participates in β ladder)trans-91117.7175.4-64.2-179.3000109.1A199 T201 V209A199-I207 PolarHBondContact N-O 3.27Å; A199-I207 PolarHBondContact O-N 3.4Å; T201-I207 HydrophobicContact CG2-CD1 3.82Å; T201-I207 HydrophobicContact CG2-CG1 4.37Å; I207-V209 HydrophobicContact CG2-CG2 4.24Å; I207-V209 PolarHBondContact O-N 3.23Å
208L50.4Low49.3Very low108 Ų10881.6 Ų81.657%0.56546%0.459SS*.EExtended strand (participates in β ladder)trans-79.2100.4173.5-179.464.4000109.5L196 Y198L196-L208 HydrophobicContact CD2-CD1 4.44Å; Y198-L208 HydrophobicContact CE1-CD1 4.1Å
209V51.9Low48.9Very low17 Ų1782.7 Ų82.710%0.10349%0.488CS..  trans-83.3127.3179.9-1710000109.9A199 I207 S211 Q213A199-V209 HydrophobicContact CB-CG2 4.12Å; I207-V209 HydrophobicContact CG2-CG2 4.24Å; I207-V209 PolarHBondContact O-N 3.23Å; V209-S211 PolarHBondContact O-N 3.33Å; V209-Q213 HydrophobicContact CG1-CB 4.43Å; V209-Q213 VanDerWaalsContact CG1-O 3.24Å; V209-Q213 WeakPolarHBondContact CG1-O 3.47Å
210P49.1Very low48.9Very low83 Ų8384.5 Ų84.554%0.53950%0.498SS..  trans-58.4135.6175.9-26.335.7000112.4N212 Q213P210-N212 PolarHBondContact O-N 3.33Å; P210-Q213 PolarHBondContact O-N 3.08Å
211S53.8Low49.3Very low58 Ų5882.3 Ų82.341%0.40650%0.499SS..THydrogen-bonded Turntrans-56.3-1.7-168.5-179.70000117.2I195 V209I195-S211 WeakPolarHBondContact O-CB 3.46Å; I195-S211 PolarHBondContact O-OG 2.88Å; V209-S211 PolarHBondContact O-N 3.33Å
212N56.8Low49Very low67 Ų6785 Ų8536%0.35851%0.512SS..THydrogen-bonded Turntrans-111.21.417670.3-15.9000114.4P210 Q227 I228P210-N212 PolarHBondContact O-N 3.33Å; N212-Q227 PolarHBondContact ND2-NE2 2.79Å; N212-Q227 CarbonylContact O-C 3.48Å; N212-Q227 VanDerWaalsContact O-CA 3.27Å; N212-Q227 WeakPolarHBondContact O-CA 3.35Å; N212-Q227 WeakPolarHBondContact O-CG 3.46Å; N212-I228 PolarHBondContact O-N 3.25Å
213Q47.6Very low49.1Very low79 Ų7985.3 Ų85.337%0.36950%0.501SS..EExtended strand (participates in β ladder)trans-123.6139.3177.7-66.1-173.133.400111.6V209 P210 T225V209-Q213 HydrophobicContact CG1-CB 4.43Å; V209-Q213 VanDerWaalsContact CG1-O 3.24Å; V209-Q213 WeakPolarHBondContact CG1-O 3.47Å; P210-Q213 PolarHBondContact O-N 3.08Å; Q213-T225 PolarHBondContact OE1-OG1 3.23Å
214V54Low49.1Very low65 Ų6584.6 Ų84.639%0.39449%0.494SS..EExtended strand (participates in β ladder)trans-116.3114.9170-179.60000107.7V216 Y226 I228V214-V216 HydrophobicContact CG1-CG2 4.06Å; V214-Y226 PolarHBondContact N-O 2.54Å; V214-Y226 PolarHBondContact O-N 3.19Å; V214-I228 HydrophobicContact CG2-CD1 3.68Å; V214-I228 HydrophobicContact CG2-CG1 3.74Å
215V53.5Low48.9Very low69 Ų6986.1 Ų86.142%0.41849%0.494SS..EExtended strand (participates in β ladder)trans-85.3120.2171.2-175.90000108.3M223 Q224V215-M223 HydrophobicContact CG1-CB 4.06Å; V215-M223 HydrophobicContact CG1-CG 4.28Å; V215-M223 HydrophobicContact CG1-SD 4.44Å; V215-Q224 WeakPolarHBondContact CA-O 3.2Å
216V52.6Low48.8Very low67 Ų6786 Ų8641%0.40649%0.488SS..EExtended strand (participates in β ladder)trans-110118.3171-179.10000107.3V214 Q224 Y226V214-V216 HydrophobicContact CG1-CG2 4.06Å; V216-Q224 PolarHBondContact N-O 2.99Å; V216-Q224 PolarHBondContact O-N 2.91Å; V216-Y226 HydrophobicContact CB-CD2 4.24Å; V216-Y226 HydrophobicContact CB-CE2 4.04Å; V216-Y226 HydrophobicContact CG2-CD2 3.88Å; V216-Y226 HydrophobicContact CG2-CE2 4.07Å
217Q42.7Very low48.8Very low123 Ų12386.5 Ų86.558%0.57549%0.491SS*.EExtended strand (participates in β ladder)trans-94.6125.8174.6-164.5151.826.700109.7G221 D222 M223Q217-G221 PolarHBondContact NE2-O 3.14Å; Q217-D222 WeakPolarHBondContact CA-O 3.27Å; Q217-M223 HydrophobicContact CG-CG 4.15Å
218T46Very low48.7Very low63 Ų6386.1 Ų86.139%0.38749%0.489SS..  trans-83.4161.5176.448.90000110.9S220 G221 D222T218-S220 PolarHBondContact O-N 2.98Å; T218-S220 PolarHBondContact OG1-OG 3.35Å; T218-G221 PolarHBondContact O-N 3.18Å; T218-D222 PolarHBondContact N-O 3.41Å; T218-D222 PolarHBondContact OG1-O 3.27Å
219A40.6Very low48.3Very low121 Ų12192 Ų92100%150%0.503SS*.THydrogen-bonded Turntrans-63.7-6.9178.900000114.5
220S47.2Very low47.9Very low84 Ų8496.3 Ų96.359%0.58753%0.53SS*.THydrogen-bonded Turntrans-81.9-10.7169.1510000114.1T218 D222T218-S220 PolarHBondContact O-N 2.98Å; T218-S220 PolarHBondContact OG1-OG 3.35Å; S220-D222 WeakPolarHBondContact CB-OD2 3.33Å; S220-D222 PolarHBondContact OG-OD2 3.09Å
221G50.4Low47.3Very low43 Ų4397.6 Ų97.644%0.44354%0.537SS..SBendtrans92.9-11.4-173.300000114.4Q217 T218 M223Q217-G221 PolarHBondContact NE2-O 3.14Å; T218-G221 PolarHBondContact O-N 3.18Å; G221-M223 PolarHBondContact O-N 2.78Å
222D43.9Very low46.8Very low96 Ų96100 Ų10051%0.51355%0.551SS.*  trans-66.8132.4179.9-54.5-71.6000111.9Q217 T218 S220Q217-D222 WeakPolarHBondContact CA-O 3.27Å; T218-D222 PolarHBondContact N-O 3.41Å; T218-D222 PolarHBondContact OG1-O 3.27Å; S220-D222 WeakPolarHBondContact CB-OD2 3.33Å; S220-D222 PolarHBondContact OG-OD2 3.09Å
223M47.4Very low46Very low137 Ų137103.4 Ų103.468%0.67557%0.574SS**EExtended strand (participates in β ladder)trans-96.8111.2175.6-67.9-173.4-70.700110.6V215 Q217 G221V215-M223 HydrophobicContact CG1-CB 4.06Å; V215-M223 HydrophobicContact CG1-CG 4.28Å; V215-M223 HydrophobicContact CG1-SD 4.44Å; Q217-M223 HydrophobicContact CG-CG 4.15Å; G221-M223 PolarHBondContact O-N 2.78Å
224Q47.4Very low45.5Very low97 Ų97104.3 Ų104.345%0.45359%0.585SS.*EExtended strand (participates in β ladder)trans-96.8121.6172.2-67-74.1-15.300109.5V215 V216 Y226V215-Q224 WeakPolarHBondContact CA-O 3.2Å; V216-Q224 PolarHBondContact N-O 2.99Å; V216-Q224 PolarHBondContact O-N 2.91Å; Q224-Y226 HydrophobicContact CB-CD2 4.27Å; Q224-Y226 HydrophobicContact CB-CE2 3.49Å; Q224-Y226 VanDerWaalsContact CB-CE2 3.49Å; Q224-Y226 HydrophobicContact CG-CE2 4.48Å
225T48Very low45Very low79 Ų79108.7 Ų108.749%0.48561%0.612SS.*EExtended strand (participates in β ladder)trans-96.3121.8172.7-177.50000111Q213Q213-T225 PolarHBondContact OE1-OG1 3.23Å
226Y44.7Very low44.4Very low130 Ų130110 Ų11051%0.5163%0.625SS.*EExtended strand (participates in β ladder)trans-111.2120.4179.2-64.8-77.2000110.1V214 V216 Q224V214-Y226 PolarHBondContact N-O 2.54Å; V214-Y226 PolarHBondContact O-N 3.19Å; V216-Y226 HydrophobicContact CB-CD2 4.24Å; V216-Y226 HydrophobicContact CB-CE2 4.04Å; V216-Y226 HydrophobicContact CG2-CD2 3.88Å; V216-Y226 HydrophobicContact CG2-CE2 4.07Å; Q224-Y226 HydrophobicContact CB-CD2 4.27Å; Q224-Y226 HydrophobicContact CB-CE2 3.49Å; Q224-Y226 VanDerWaalsContact CB-CE2 3.49Å; Q224-Y226 HydrophobicContact CG-CE2 4.48Å
227Q45.6Very low43.7Very low139 Ų139114.3 Ų114.365%0.6564%0.644SS**EExtended strand (participates in β ladder)trans-81.2122.9-179.3-157.5178.234.200111.3N212 R229N212-Q227 PolarHBondContact ND2-NE2 2.79Å; N212-Q227 CarbonylContact O-C 3.48Å; N212-Q227 VanDerWaalsContact O-CA 3.27Å; N212-Q227 WeakPolarHBondContact O-CA 3.35Å; N212-Q227 WeakPolarHBondContact O-CG 3.46Å; Q227-R229 PolarHBondContact O-N 3.42Å; Q227-R229 VanDerWaalsContact O-N 3.14Å
228I48.4Very low43.8Very low84 Ų84114 Ų11443%0.43165%0.653SS.*  trans-71.4108.1173.7-52.2-178.8000108.3N212 V214 T230N212-I228 PolarHBondContact O-N 3.25Å; V214-I228 HydrophobicContact CG2-CD1 3.68Å; V214-I228 HydrophobicContact CG2-CG1 3.74Å; I228-T230 VanDerWaalsContact C-N 3.28Å; I228-T230 HydrophobicContact CG2-CG2 4.15Å; I228-T230 PolarHBondContact O-N 2.89Å
229R41.9Very low43.7Very low231 Ų231119.5 Ų119.587%0.87268%0.675SS**  trans-78.874178.3-166.2175.2-174.8168.42.7111.7Q227 T231Q227-R229 PolarHBondContact O-N 3.42Å; Q227-R229 VanDerWaalsContact O-N 3.14Å; R229-T231 PolarHBondContact O-N 3.01Å
230T45Very low43.7Very low108 Ų108119.9 Ų119.966%0.66366%0.664SS**  trans-64.7122.916550.60000109.4I228 P232I228-T230 VanDerWaalsContact C-N 3.28Å; I228-T230 HydrophobicContact CG2-CG2 4.15Å; I228-T230 PolarHBondContact O-N 2.89Å; T230-P232 WeakPolarHBondContact O-CD 3.4Å
231T35.9Very low43.6Very low110 Ų110122.3 Ų122.368%0.67568%0.675SS**  trans-85.7114.5177.549.50000110R229 T233R229-T231 PolarHBondContact O-N 3.01Å; T231-T233 PolarHBondContact O-N 3.23Å
232P43.4Very low43.3Very low108 Ų108125.9 Ų125.970%0.70169%0.688SS**  trans-73119.9176.129.3-33.4000110.4T230 T234T230-P232 WeakPolarHBondContact O-CD 3.4Å; P232-T234 PolarHBondContact O-N 3.03Å
233T39.6Very low43.2Very low139 Ų139129.3 Ų129.385%0.85370%0.703SS**  trans-8550.1179.7-420000111.7T231T231-T233 PolarHBondContact O-N 3.23Å
234T38Very low43.2Very low97 Ų97128.4 Ų128.460%0.59571%0.706SS**SBendtrans-142.9130.4178.650.20000111.2P232 S236P232-T234 PolarHBondContact O-N 3.03Å; T234-S236 PolarHBondContact O-N 3.11Å
235T43.2Very low43Very low157 Ų157128.9 Ų128.996%0.96372%0.72SS**  trans-73.387.4178.3-51.40000111.7
236S39.9Very low43Very low98 Ų98130.5 Ų130.569%0.68573%0.732SS**  trans-147.8150.4161.7590000110.5T234 P238T234-S236 PolarHBondContact O-N 3.11Å; S236-P238 WeakPolarHBondContact O-CD 3.21Å
237L39Very low43Very low156 Ų156131 Ų13182%0.81775%0.748SS**  trans-89.5119.9-166.4-166.476.4000111.4Q239L237-Q239 PolarHBondContact O-N 3.41Å
238P43.2Very low42.9Very low118 Ų118130.7 Ų130.777%0.76676%0.756SS**  trans-78.9102.817530.9-32.7000110.9S236 T240S236-P238 WeakPolarHBondContact O-CD 3.21Å; P238-T240 PolarHBondContact O-N 3.35Å
239Q44.8Very low42.5Very low178 Ų178134.3 Ų134.383%0.83278%0.775SS**  trans-76.4107.8163.2-72.2-177.4-14.600110L237L237-Q239 PolarHBondContact O-N 3.41Å
240T41.6Very low42.9Very low128 Ų128128.1 Ų128.179%0.78576%0.763SS**  trans-155.4130.4159-69.70000108.2P238P238-T240 PolarHBondContact O-N 3.35Å
241V44.4Very low42.5Very low135 Ų135128.5 Ų128.582%0.81877%0.77SS**  trans-106.6115-176-179.80000110.1
242V43.3Very low42.9Very low118 Ų118131.9 Ų131.972%0.71578%0.779SS**  trans-142.2125156.1-170.20000108.2T244V242-T244 HydrophobicContact CG1-CG2 4.34Å
243M42.6Very low42.9Very low168 Ų168132.3 Ų132.383%0.82878%0.779SS**  trans-105.6104.9177.2-78.8-73.1-170.900110.2
244T47.1Very low43.2Very low118 Ų118130.8 Ų130.872%0.72477%0.774SS**  trans-138.390.8169.554.50000109.8V242 P246V242-T244 HydrophobicContact CG1-CG2 4.34Å; T244-P246 WeakPolarHBondContact O-CD 3.39Å
245S43.2Very low43.8Very low108 Ų108135.3 Ų135.376%0.75579%0.786SS**  trans-79.9122.9179.6-57.10000111.9
246P47.8Very low44.2Very low112 Ų112130.8 Ų130.873%0.72776%0.758SS**  trans-81.4123.5160.5-3.823.3000108.9T244 T248T244-P246 WeakPolarHBondContact O-CD 3.39Å; P246-T248 PolarHBondContact O-N 2.83Å
247V45.4Very low44.9Very low142 Ų142133.5 Ų133.586%0.86177%0.765SS**  trans-77.5115.1168.71750000108.5
248T43.2Very low46.3Very low132 Ų132130.3 Ų130.381%0.8175%0.748SS**  trans-117.3133.5170.653.10000111P246P246-T248 PolarHBondContact O-N 2.83Å
249L41Very low48.4Very low159 Ų159129.5 Ų129.583%0.83274%0.744SS**  trans-90.4124.3-159.9-173.657.9000111.9
250T48.7Very low50.5Low101 Ų101127.8 Ų127.862%0.6274%0.735SS**  trans27.3116.7169.71660000119.4
251S38.2Very low53Low116 Ų116124.7 Ų124.781%0.81171%0.714SS**  trans-147.7111.7141.2-78.20000110.2T253S251-T253 PolarHBondContact O-N 2.95Å; S251-T253 VanDerWaalsContact O-N 3.12Å
252Q43Very low55.4Low182 Ų182125 Ų12585%0.8570%0.704SS**  trans-83.380.3-169.7-65-174.45.500113.5
253T44.3Very low57.9Low116 Ų116127.8 Ų127.871%0.71270%0.702SS**  trans-141.746.8166.857.40000113S251 K255S251-T253 PolarHBondContact O-N 2.95Å; S251-T253 VanDerWaalsContact O-N 3.12Å; T253-K255 VanDerWaalsContact C-N 3.27Å; T253-K255 PolarHBondContact O-N 2.83Å
254S46.3Very low60.4Low108 Ų108124.5 Ų124.576%0.75568%0.684SS**  trans-76.156.9-173.646.50000115
255K49.2Very low62.8Low191 Ų191121.8 Ų121.883%0.8367%0.665SS**SBendtrans-143.226.8174.3-70.6-164.4176.5-176.80115.2T253T253-K255 VanDerWaalsContact C-N 3.27Å; T253-K255 PolarHBondContact O-N 2.83Å
256T52Low65.3Low63 Ų63125.2 Ų125.239%0.38766%0.661SS.*  trans-138.917.6-175.5-21.10000116.1D258 L261 I265T256-D258 PolarHBondContact O-N 3.49Å; T256-L261 HydrophobicContact CG2-CD2 4.1Å; T256-L261 HydrophobicContact CG2-CG 4.35Å; T256-I265 HydrophobicContact CG2-CD1 4.3Å
257D54.9Low67.7Low155 Ų155125 Ų12583%0.82965%0.653SS**  trans-84.36.7177.1-66.1-68.9000114.2P259D257-P259 WeakPolarHBondContact O-CD 3.34Å
258D68.9Low70.2Confident88 Ų88123.3 Ų123.347%0.47164%0.637SS.*  trans-77.9114.3163.4-169.3-26.7000109.9T256 Q260 L261 K262T256-D258 PolarHBondContact O-N 3.49Å; D258-Q260 PolarHBondContact O-N 2.91Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.43Å; D258-Q260 PolarHBondContact OD1-N 2.88Å; D258-L261 HydrophobicContact CB-CB 4.28Å; D258-L261 PolarHBondContact O-N 3.37Å; D258-K262 PolarHBondContact O-N 3.39Å
259P85.6Confident72.8Confident102 Ų102124.3 Ų124.366%0.66263%0.631SS**Hα-helixtrans-63.2-21.717927.3-35.1000113.1D257 R263D257-P259 WeakPolarHBondContact O-CD 3.34Å; P259-R263 PolarHBondContact O-N 2.95Å; P259-R263 VanDerWaalsContact O-N 3.11Å
260Q90.6Very high75.6Confident141 Ų141121.9 Ų121.966%0.65962%0.618SS**Hα-helixtrans-66.9-50.2174.1-174.5169-68.800111.1D258 K262 R263 E264D258-Q260 PolarHBondContact O-N 2.91Å; D258-Q260 WeakPolarHBondContact OD1-CB 3.43Å; D258-Q260 PolarHBondContact OD1-N 2.88Å; Q260-K262 VanDerWaalsContact C-N 3.29Å; Q260-K262 PolarHBondContact O-N 3.23Å; Q260-R263 WeakPolarHBondContact O-CA 3.33Å; Q260-R263 WeakPolarHBondContact O-CB 3.47Å; Q260-R263 PolarHBondContact O-N 3.39Å; Q260-E264 PolarHBondContact O-N 3.23Å
261L93.8Very high77.9Confident63 Ų63125 Ų12533%0.3362%0.619SS.*Hα-helixtrans-61.1-39.4178.6-179.158.5000111.5T256 D258 R263 E264 I265T256-L261 HydrophobicContact CG2-CD2 4.1Å; T256-L261 HydrophobicContact CG2-CG 4.35Å; D258-L261 HydrophobicContact CB-CB 4.28Å; D258-L261 PolarHBondContact O-N 3.37Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 3.48Å; L261-E264 PolarHBondContact O-N 3.01Å; L261-I265 HydrophobicContact CD1-CD1 4.17Å; L261-I265 HydrophobicContact CD1-CG1 4.32Å; L261-I265 HydrophobicContact CG-CD1 4.03Å; L261-I265 WeakPolarHBondContact O-CG1 3.39Å; L261-I265 PolarHBondContact O-N 2.95Å
262K94.3Very high80.8Confident142 Ų142124.4 Ų124.462%0.61760%0.603SS**Hα-helixtrans-63.8-32.9174.4-167.6171.3-173.8169.60113D258 Q260 R266D258-K262 PolarHBondContact O-N 3.39Å; Q260-K262 VanDerWaalsContact C-N 3.29Å; Q260-K262 PolarHBondContact O-N 3.23Å; K262-R266 PolarHBondContact O-N 3.36Å
263R95.1Very high83.4Confident176 Ų176118.5 Ų118.566%0.66459%0.586SS**Hα-helixtrans-72.1-43172.5-172.7-174.4-173.3-171.13.7111.3P259 Q260 L261 R266 L267P259-R263 PolarHBondContact O-N 2.95Å; P259-R263 VanDerWaalsContact O-N 3.11Å; Q260-R263 WeakPolarHBondContact O-CA 3.33Å; Q260-R263 WeakPolarHBondContact O-CB 3.47Å; Q260-R263 PolarHBondContact O-N 3.39Å; L261-R263 VanDerWaalsContact C-N 3.31Å; L261-R263 PolarHBondContact O-N 3.48Å; R263-R266 WeakPolarHBondContact O-CB 3.34Å; R263-R266 PolarHBondContact O-N 2.85Å; R263-L267 HydrophobicContact CG-CD1 4.32Å; R263-L267 WeakPolarHBondContact O-CG 3.38Å; R263-L267 PolarHBondContact O-N 3.03Å
264E96Very high86Confident100 Ų100114.8 Ų114.847%0.46757%0.567SS.*Hα-helixtrans-63.2-47.8-179.9-173.7171-17000112.2Q260 L261 R266 L267 M268Q260-E264 PolarHBondContact O-N 3.23Å; L261-E264 PolarHBondContact O-N 3.01Å; E264-R266 PolarHBondContact O-N 3.03Å; E264-L267 PolarHBondContact O-N 3.12Å; E264-M268 HydrophobicContact CG-CE 4.39Å; E264-M268 PolarHBondContact O-N 2.89Å
265I96.4Very high88.5Confident61 Ų61115.6 Ų115.631%0.31355%0.553SS.*Hα-helixtrans-56.7-37.9174.6-67.5164.9000111.3T256 L261 M268 K269T256-I265 HydrophobicContact CG2-CD1 4.3Å; L261-I265 HydrophobicContact CD1-CD1 4.17Å; L261-I265 HydrophobicContact CD1-CG1 4.32Å; L261-I265 HydrophobicContact CG-CD1 4.03Å; L261-I265 WeakPolarHBondContact O-CG1 3.39Å; L261-I265 PolarHBondContact O-N 2.95Å; I265-M268 HydrophobicContact CG1-CE 4.39Å; I265-K269 HydrophobicContact CG2-CD 4.32Å; I265-K269 WeakPolarHBondContact O-CB 3.17Å; I265-K269 WeakPolarHBondContact O-CG 3.32Å; I265-K269 PolarHBondContact O-N 2.82Å
266R97.6Very high90.9Very high180 Ų180109.5 Ų109.568%0.67953%0.528SS*.Hα-helixtrans-66-43.4175.5-171.1-170-61.6-179.3-0.6111.7K262 R263 E264 K269 N270K262-R266 PolarHBondContact O-N 3.36Å; R263-R266 WeakPolarHBondContact O-CB 3.34Å; R263-R266 PolarHBondContact O-N 2.85Å; E264-R266 PolarHBondContact O-N 3.03Å; R266-K269 PolarHBondContact O-N 3.05Å; R266-N270 WeakPolarHBondContact O-CB 3.4Å; R266-N270 PolarHBondContact O-N 3.01Å
267L98.1Very high93.1Very high107 Ų107110.6 Ų110.656%0.5654%0.537SS*.Hα-helixtrans-66.4-40.7177.8-69171.6000111.6R263 E264 N270 R271R263-L267 HydrophobicContact CG-CD1 4.32Å; R263-L267 WeakPolarHBondContact O-CG 3.38Å; R263-L267 PolarHBondContact O-N 3.03Å; E264-L267 PolarHBondContact O-N 3.12Å; L267-N270 PolarHBondContact O-N 3.49Å; L267-R271 WeakPolarHBondContact O-CB 3.38Å; L267-R271 PolarHBondContact O-N 3.23Å
268M97Very high95.2Very high107 Ų107112.5 Ų112.553%0.52753%0.532SS..Hα-helixtrans-61.5-48.5173.6-70.3-160.8-74.700111.9E264 I265 N270 R271 E272E264-M268 HydrophobicContact CG-CE 4.39Å; E264-M268 PolarHBondContact O-N 2.89Å; I265-M268 HydrophobicContact CG1-CE 4.39Å; M268-N270 VanDerWaalsContact C-N 3.32Å; M268-N270 PolarHBondContact O-N 3.14Å; M268-R271 WeakPolarHBondContact O-CB 3.47Å; M268-R271 PolarHBondContact O-N 2.98Å; M268-E272 PolarHBondContact O-N 3.09Å
269K98.4Very high96.6Very high153 Ų153113.5 Ų113.567%0.66553%0.529SS*.Hα-helixtrans-62.2-36.5176.7-74.5-177.7175.8-173.70112.8I265 R266 E272 A273I265-K269 HydrophobicContact CG2-CD 4.32Å; I265-K269 WeakPolarHBondContact O-CB 3.17Å; I265-K269 WeakPolarHBondContact O-CG 3.32Å; I265-K269 PolarHBondContact O-N 2.82Å; R266-K269 PolarHBondContact O-N 3.05Å; K269-E272 PolarHBondContact O-N 2.95Å; K269-A273 WeakPolarHBondContact O-CB 3.46Å; K269-A273 PolarHBondContact O-N 3.13Å
270N98.3Very high97.2Very high108 Ų108114.3 Ų114.358%0.57852%0.522SS*.Hα-helixtrans-69.7-40.1175-176.6-101.3000112.4R266 L267 M268 E272 A273 A274R266-N270 WeakPolarHBondContact O-CB 3.4Å; R266-N270 PolarHBondContact O-N 3.01Å; L267-N270 PolarHBondContact O-N 3.49Å; M268-N270 VanDerWaalsContact C-N 3.32Å; M268-N270 PolarHBondContact O-N 3.14Å; N270-E272 VanDerWaalsContact C-N 3.27Å; N270-E272 PolarHBondContact O-N 3.3Å; N270-A273 PolarHBondContact O-N 3.44Å; N270-A274 WeakPolarHBondContact O-CB 3.5Å; N270-A274 PolarHBondContact O-N 2.92Å
271R98.5Very high97.6Very high166 Ų166114.9 Ų114.963%0.62652%0.523SS*.Hα-helixtrans-58.3-40.4173.1-171.3180-173.4-176.52.2111.3L267 M268 R275L267-R271 WeakPolarHBondContact O-CB 3.38Å; L267-R271 PolarHBondContact O-N 3.23Å; M268-R271 WeakPolarHBondContact O-CB 3.47Å; M268-R271 PolarHBondContact O-N 2.98Å; R271-R275 WeakPolarHBondContact O-CG 3.42Å; R271-R275 PolarHBondContact O-N 3.5Å; R271-R275 VanDerWaalsContact O-N 3.13Å
272E98.4Very high97.9Very high104 Ų104120 Ų12049%0.48654%0.543SS..Hα-helixtrans-69.7-48177.2-155.558-151.900112.5M268 K269 N270 A274 R275 E276M268-E272 PolarHBondContact O-N 3.09Å; K269-E272 PolarHBondContact O-N 2.95Å; N270-E272 VanDerWaalsContact C-N 3.27Å; N270-E272 PolarHBondContact O-N 3.3Å; E272-A274 PolarHBondContact O-N 2.65Å; E272-R275 WeakPolarHBondContact O-CB 3.49Å; E272-R275 PolarHBondContact O-N 3.46Å; E272-R275 VanDerWaalsContact O-N 3.09Å; E272-R275 WeakPolarHBondContact OE2-CD 3.46Å; E272-R275 IonicContact OE2-CZ 3.63Å; E272-R275 IonicContact OE2-NE 3.94Å; E272-R275 IonicContact OE2-NH1 2.65Å; E272-R275 PolarHBondContact OE2-NH1 2.87Å; E272-E276 WeakPolarHBondContact O-CB 3.19Å; E272-E276 PolarHBondContact O-N 3Å
273A98.3Very high98.1Very high58 Ų58117.8 Ų117.848%0.47953%0.534SS..Hα-helixtrans-57.9-35.1174.600000112.5K269 N270 C277K269-A273 WeakPolarHBondContact O-CB 3.46Å; K269-A273 PolarHBondContact O-N 3.13Å; N270-A273 PolarHBondContact O-N 3.44Å; A273-C277 WeakPolarHBondContact O-CB 3.39Å; A273-C277 PolarHBondContact O-N 2.91Å
274A98.6Very high98.2Very high38 Ų38116.5 Ų116.531%0.31453%0.53SS..Hα-helixtrans-70.3-36.4175.700000113.3N270 E272 R278N270-A274 WeakPolarHBondContact O-CB 3.5Å; N270-A274 PolarHBondContact O-N 2.92Å; E272-A274 PolarHBondContact O-N 2.65Å; A274-R278 WeakPolarHBondContact O-CD 3.42Å; A274-R278 VanDerWaalsContact O-CG 3.23Å; A274-R278 WeakPolarHBondContact O-CG 3.48Å; A274-R278 PolarHBondContact O-N 3.49Å
275R98.6Very high98.4Very high125 Ų125114.5 Ų114.547%0.47253%0.525SS..Hα-helixtrans-62.3-52.1170.4-71.9166.5170.1143.5-9.4110.5R271 E272 C277 R278 R279R271-R275 WeakPolarHBondContact O-CG 3.42Å; R271-R275 PolarHBondContact O-N 3.5Å; R271-R275 VanDerWaalsContact O-N 3.13Å; E272-R275 WeakPolarHBondContact O-CB 3.49Å; E272-R275 PolarHBondContact O-N 3.46Å; E272-R275 VanDerWaalsContact O-N 3.09Å; E272-R275 WeakPolarHBondContact OE2-CD 3.46Å; E272-R275 IonicContact OE2-CZ 3.63Å; E272-R275 IonicContact OE2-NE 3.94Å; E272-R275 IonicContact OE2-NH1 2.65Å; E272-R275 PolarHBondContact OE2-NH1 2.87Å; R275-C277 PolarHBondContact O-N 3.33Å; R275-R278 WeakPolarHBondContact O-CB 3.23Å; R275-R278 PolarHBondContact O-N 2.95Å; R275-R278 VanDerWaalsContact O-N 3.14Å; R275-R279 PolarHBondContact O-N 2.75Å
276E98.6Very high98.5Very high63 Ų63118.8 Ų118.829%0.29454%0.541SS..Hα-helixtrans-63.7-39.8-175.7174.759.9-177.800112.5E272 R278 R279 K280E272-E276 WeakPolarHBondContact O-CB 3.19Å; E272-E276 PolarHBondContact O-N 3Å; E276-R278 PolarHBondContact O-N 2.93Å; E276-R279 VanDerWaalsContact CD-NH2 3.26Å; E276-R279 PolarHBondContact O-N 2.92Å; E276-R279 IonicContact OE1-CZ 2.73Å; E276-R279 IonicContact OE1-NH2 3.66Å; E276-R279 PolarHBondContact OE1-NH2 2.66Å; E276-R279 IonicContact OE2-CZ 3.87Å; E276-R279 VanDerWaalsContact OE2-CZ 3.25Å; E276-R279 IonicContact OE2-NE 3.63Å; E276-R279 PolarHBondContact OE2-NE 3.06Å; E276-R279 IonicContact OE2-NH2 2.83Å; E276-R279 PolarHBondContact OE2-NH2 3.45Å; E276-K280 HydrophobicContact CG-CD 4.36Å; E276-K280 WeakPolarHBondContact O-CB 3.08Å; E276-K280 PolarHBondContact O-N 3.37Å; E276-K280 WeakPolarHBondContact OE1-CD 3.44Å; E276-K280 WeakPolarHBondContact OE1-CE 3.49Å; E276-K280 IonicContact OE1-NZ 2.66Å; E276-K280 PolarHBondContact OE1-NZ 2.96Å
277C98.7Very high98.5Very high85 Ų85114 Ų11457%0.57454%0.535SS*.Hα-helixtrans-60.4-43.4172.9-179.90000112.1A273 R275 K281A273-C277 WeakPolarHBondContact O-CB 3.39Å; A273-C277 PolarHBondContact O-N 2.91Å; R275-C277 PolarHBondContact O-N 3.33Å; C277-K281 WeakPolarHBondContact O-CB 3.47Å; C277-K281 PolarHBondContact O-N 3.35Å
278R98.8Very high98.6Very high195 Ų195112.3 Ų112.374%0.73653%0.526SS*.Hα-helixtrans-66.6-42.1176.5-69.2168.1-175.6-166.90.5112A274 R275 E276 K281 K282A274-R278 WeakPolarHBondContact O-CD 3.42Å; A274-R278 VanDerWaalsContact O-CG 3.23Å; A274-R278 WeakPolarHBondContact O-CG 3.48Å; A274-R278 PolarHBondContact O-N 3.49Å; R275-R278 WeakPolarHBondContact O-CB 3.23Å; R275-R278 PolarHBondContact O-N 2.95Å; R275-R278 VanDerWaalsContact O-N 3.14Å; E276-R278 PolarHBondContact O-N 2.93Å; R278-K281 PolarHBondContact O-N 3.07Å; R278-K282 PolarHBondContact O-N 2.91Å
279R98.8Very high98.6Very high110 Ų110112.8 Ų112.842%0.41553%0.527SS..Hα-helixtrans-58.5-54.4176.1-172.4-17267.681.54.2110.9R275 E276 K281 K282 E283R275-R279 PolarHBondContact O-N 2.75Å; E276-R279 VanDerWaalsContact CD-NH2 3.26Å; E276-R279 PolarHBondContact O-N 2.92Å; E276-R279 IonicContact OE1-CZ 2.73Å; E276-R279 IonicContact OE1-NH2 3.66Å; E276-R279 PolarHBondContact OE1-NH2 2.66Å; E276-R279 IonicContact OE2-CZ 3.87Å; E276-R279 VanDerWaalsContact OE2-CZ 3.25Å; E276-R279 IonicContact OE2-NE 3.63Å; E276-R279 PolarHBondContact OE2-NE 3.06Å; E276-R279 IonicContact OE2-NH2 2.83Å; E276-R279 PolarHBondContact OE2-NH2 3.45Å; R279-K281 VanDerWaalsContact C-N 3.32Å; R279-K281 PolarHBondContact O-N 3Å; R279-K282 PolarHBondContact O-N 3.41Å; R279-K282 VanDerWaalsContact O-N 3.07Å; R279-E283 VanDerWaalsContact CG-OE1 3.32Å; R279-E283 WeakPolarHBondContact CG-OE1 3.43Å; R279-E283 IonicContact CZ-OE1 3.25Å; R279-E283 IonicContact CZ-OE2 2.67Å; R279-E283 IonicContact NH1-OE1 2.93Å; R279-E283 PolarHBondContact NH1-OE1 2.83Å; R279-E283 IonicContact NH1-OE2 3.85Å; R279-E283 PolarHBondContact NH1-OE2 3.48Å; R279-E283 PolarHBondContact O-N 3.37Å
280K98.8Very high98.7Very high118 Ų118110.5 Ų110.551%0.51352%0.522SS..Hα-helixtrans-57.7-39.4176.6-81.9172.6161.1142.60113E276 E283 Y284E276-K280 HydrophobicContact CG-CD 4.36Å; E276-K280 WeakPolarHBondContact O-CB 3.08Å; E276-K280 PolarHBondContact O-N 3.37Å; E276-K280 WeakPolarHBondContact OE1-CD 3.44Å; E276-K280 WeakPolarHBondContact OE1-CE 3.49Å; E276-K280 IonicContact OE1-NZ 2.66Å; E276-K280 PolarHBondContact OE1-NZ 2.96Å; K280-E283 PolarHBondContact O-N 3.03Å; K280-Y284 VanDerWaalsContact O-CB 3.31Å; K280-Y284 WeakPolarHBondContact O-CB 3.36Å; K280-Y284 PolarHBondContact O-N 3.32Å
281K98.8Very high98.7Very high154 Ų154113.1 Ų113.167%0.6752%0.523SS*.Hα-helixtrans-64.1-42.4174.4-172175.9179.7-179.50112C277 R278 R279 Y284 V285C277-K281 WeakPolarHBondContact O-CB 3.47Å; C277-K281 PolarHBondContact O-N 3.35Å; R278-K281 PolarHBondContact O-N 3.07Å; R279-K281 VanDerWaalsContact C-N 3.32Å; R279-K281 PolarHBondContact O-N 3Å; K281-Y284 PolarHBondContact O-N 3.22Å; K281-V285 WeakPolarHBondContact O-CG2 3.45Å; K281-V285 PolarHBondContact O-N 3.47Å
282K98.8Very high98.7Very high171 Ų171108.7 Ų108.774%0.74352%0.515SS*.Hα-helixtrans-65.2-40.9178.1-165.4175.4-175.6-179.20111.8R278 R279 K286R278-K282 PolarHBondContact O-N 2.91Å; R279-K282 PolarHBondContact O-N 3.41Å; R279-K282 VanDerWaalsContact O-N 3.07Å; K282-K286 PolarHBondContact O-N 2.95Å
283E98.6Very high98.7Very high95 Ų95106.1 Ų106.144%0.44451%0.511SS..Hα-helixtrans-67.9-40.1176-74.2165.6-167.900112.8R279 K280 K286 C287R279-E283 VanDerWaalsContact CG-OE1 3.32Å; R279-E283 WeakPolarHBondContact CG-OE1 3.43Å; R279-E283 IonicContact CZ-OE1 3.25Å; R279-E283 IonicContact CZ-OE2 2.67Å; R279-E283 IonicContact NH1-OE1 2.93Å; R279-E283 PolarHBondContact NH1-OE1 2.83Å; R279-E283 IonicContact NH1-OE2 3.85Å; R279-E283 PolarHBondContact NH1-OE2 3.48Å; R279-E283 PolarHBondContact O-N 3.37Å; K280-E283 PolarHBondContact O-N 3.03Å; E283-K286 PolarHBondContact O-N 2.86Å; E283-C287 WeakPolarHBondContact O-CB 3.32Å; E283-C287 PolarHBondContact O-N 3.06Å
284Y98.8Very high98.7Very high148 Ų148106.6 Ų106.658%0.5851%0.508SS*.Hα-helixtrans-63.1-43.3175.4178.9-109.2000112K280 K281 C287 L288K280-Y284 VanDerWaalsContact O-CB 3.31Å; K280-Y284 WeakPolarHBondContact O-CB 3.36Å; K280-Y284 PolarHBondContact O-N 3.32Å; K281-Y284 PolarHBondContact O-N 3.22Å; Y284-C287 WeakPolarHBondContact O-CB 3.49Å; Y284-C287 PolarHBondContact O-N 2.98Å; Y284-L288 HydrophobicContact CD1-CD1 4.14Å; Y284-L288 HydrophobicContact CE1-CD1 3.55Å; Y284-L288 HydrophobicContact CE1-CG 4.23Å; Y284-L288 HydrophobicContact CE2-CD2 4.49Å; Y284-L288 HydrophobicContact CE2-CG 4.38Å; Y284-L288 WeakPolarHBondContact O-CG 3.38Å; Y284-L288 PolarHBondContact O-N 3.25Å
285V98.9Very high98.7Very high58 Ų58108.2 Ų108.235%0.35251%0.511SS..Hα-helixtrans-60.1-49.1173.5169.40000110.7K281 C287 L288 E289K281-V285 WeakPolarHBondContact O-CG2 3.45Å; K281-V285 PolarHBondContact O-N 3.47Å; V285-C287 VanDerWaalsContact C-N 3.26Å; V285-C287 PolarHBondContact O-N 2.9Å; V285-L288 WeakPolarHBondContact O-CB 3.37Å; V285-L288 PolarHBondContact O-N 3.28Å; V285-E289 HydrophobicContact CG1-CG 4.35Å; V285-E289 VanDerWaalsContact CG1-OE1 3.24Å; V285-E289 WeakPolarHBondContact CG1-OE1 3.27Å; V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 2.73Å
286K98.8Very high98.7Very high151 Ų151108.2 Ų108.266%0.65752%0.516SS*.Hα-helixtrans-59.5-34.2176.5-171.2174.1-178.6177.50113.5K282 E283 E289 N290K282-K286 PolarHBondContact O-N 2.95Å; E283-K286 PolarHBondContact O-N 2.86Å; K286-E289 WeakPolarHBondContact CA-OE2 3.36Å; K286-N290 WeakPolarHBondContact O-CB 3.24Å; K286-N290 PolarHBondContact O-N 3.07Å
287C98.6Very high98.7Very high80 Ų80109.9 Ų109.954%0.54153%0.527SS..Hα-helixtrans-69.6-39.5175-174.40000112E283 Y284 V285 R291E283-C287 WeakPolarHBondContact O-CB 3.32Å; E283-C287 PolarHBondContact O-N 3.06Å; Y284-C287 WeakPolarHBondContact O-CB 3.49Å; Y284-C287 PolarHBondContact O-N 2.98Å; V285-C287 VanDerWaalsContact C-N 3.26Å; V285-C287 PolarHBondContact O-N 2.9Å; C287-R291 VanDerWaalsContact O-CB 3.27Å; C287-R291 WeakPolarHBondContact O-CB 3.35Å; C287-R291 PolarHBondContact O-N 2.94Å
288L98.8Very high98.7Very high71 Ų71110.8 Ų110.837%0.37252%0.523SS..Hα-helixtrans-65.2-45.7172.6-70.1178.5000111.8Y284 V285 N290 R291 V292Y284-L288 HydrophobicContact CD1-CD1 4.14Å; Y284-L288 HydrophobicContact CE1-CD1 3.55Å; Y284-L288 HydrophobicContact CE1-CG 4.23Å; Y284-L288 HydrophobicContact CE2-CD2 4.49Å; Y284-L288 HydrophobicContact CE2-CG 4.38Å; Y284-L288 WeakPolarHBondContact O-CG 3.38Å; Y284-L288 PolarHBondContact O-N 3.25Å; V285-L288 WeakPolarHBondContact O-CB 3.37Å; V285-L288 PolarHBondContact O-N 3.28Å; L288-N290 PolarHBondContact O-N 2.89Å; L288-R291 PolarHBondContact O-N 3.34Å; L288-V292 WeakPolarHBondContact O-CG2 3.26Å; L288-V292 PolarHBondContact O-N 2.79Å
289E98.6Very high98.7Very high117 Ų117105.9 Ų105.955%0.54751%0.512SS..Hα-helixtrans-57.1-47.8176.3-69.7163.9170.600111.3V285 K286 V292 A293V285-E289 HydrophobicContact CG1-CG 4.35Å; V285-E289 VanDerWaalsContact CG1-OE1 3.24Å; V285-E289 WeakPolarHBondContact CG1-OE1 3.27Å; V285-E289 WeakPolarHBondContact O-CG 3.31Å; V285-E289 PolarHBondContact O-N 2.73Å; K286-E289 WeakPolarHBondContact CA-OE2 3.36Å; E289-V292 PolarHBondContact O-N 3.4Å; E289-A293 PolarHBondContact O-N 2.67Å; E289-A293 VanDerWaalsContact O-N 3.07Å
290N98.8Very high98.7Very high105 Ų105106.3 Ų106.356%0.56152%0.517SS*.Hα-helixtrans-63.6-41.7175.8177.3-110.5000112.7K286 L288 V292 A293 V294K286-N290 WeakPolarHBondContact O-CB 3.24Å; K286-N290 PolarHBondContact O-N 3.07Å; L288-N290 PolarHBondContact O-N 2.89Å; N290-V292 VanDerWaalsContact C-N 3.33Å; N290-V292 PolarHBondContact O-N 2.91Å; N290-A293 PolarHBondContact O-N 3.01Å; N290-V294 WeakPolarHBondContact O-CG2 3.49Å; N290-V294 PolarHBondContact O-N 2.82Å
291R98.8Very high98.7Very high163 Ų163103.4 Ų103.462%0.61551%0.508SS*.Hα-helixtrans-63.6-37175.9172.4175.4161.1164.8-4.5112.2C287 L288 L295C287-R291 VanDerWaalsContact O-CB 3.27Å; C287-R291 WeakPolarHBondContact O-CB 3.35Å; C287-R291 PolarHBondContact O-N 2.94Å; L288-R291 PolarHBondContact O-N 3.34Å; R291-L295 HydrophobicContact CG-CD1 3.91Å; R291-L295 WeakPolarHBondContact O-CB 3.49Å; R291-L295 WeakPolarHBondContact O-CD1 3.34Å; R291-L295 VanDerWaalsContact O-CG 3.26Å; R291-L295 WeakPolarHBondContact O-CG 3.45Å; R291-L295 PolarHBondContact O-N 3.04Å
292V98.8Very high98.7Very high74 Ų74100.4 Ų100.445%0.44850%0.499SS..Hα-helixtrans-62-52.3173.4167.50000109.8L288 E289 N290 V294 L295 E296L288-V292 WeakPolarHBondContact O-CG2 3.26Å; L288-V292 PolarHBondContact O-N 2.79Å; E289-V292 PolarHBondContact O-N 3.4Å; N290-V292 VanDerWaalsContact C-N 3.33Å; N290-V292 PolarHBondContact O-N 2.91Å; V292-V294 VanDerWaalsContact C-N 3.29Å; V292-V294 PolarHBondContact O-N 2.95Å; V292-L295 CarbonylContact O-C 3.6Å; V292-L295 PolarHBondContact O-N 2.93Å; V292-E296 HydrophobicContact CG1-CG 4.18Å; V292-E296 WeakPolarHBondContact CG1-OE1 3.36Å; V292-E296 WeakPolarHBondContact O-CG 3.37Å; V292-E296 PolarHBondContact O-N 3.26Å
293A98.7Very high98.6Very high49 Ų4997.7 Ų97.741%0.40549%0.492SS..Hα-helixtrans-58.7-37.4178.900000113.5E289 N290 N297E289-A293 PolarHBondContact O-N 2.67Å; E289-A293 VanDerWaalsContact O-N 3.07Å; N290-A293 PolarHBondContact O-N 3.01Å; A293-N297 WeakPolarHBondContact O-CB 3.43Å; A293-N297 PolarHBondContact O-N 3.33Å
294V98.8Very high98.6Very high68 Ų6898 Ų9841%0.41249%0.493SS..Hα-helixtrans-65.2-45173.8170.10000111.5N290 V292 N297 Q298N290-V294 WeakPolarHBondContact O-CG2 3.49Å; N290-V294 PolarHBondContact O-N 2.82Å; V292-V294 VanDerWaalsContact C-N 3.29Å; V292-V294 PolarHBondContact O-N 2.95Å; V294-N297 PolarHBondContact O-N 3.48Å; V294-Q298 WeakPolarHBondContact O-CB 3.22Å; V294-Q298 WeakPolarHBondContact O-CG 3.41Å; V294-Q298 PolarHBondContact O-N 3.04Å
295L98.6Very high98.5Very high73 Ų7396 Ų9638%0.38249%0.489SS..Hα-helixtrans-67.6-36.3178.3-72.3167.4000112.2R291 V292 Q298 N299R291-L295 HydrophobicContact CG-CD1 3.91Å; R291-L295 WeakPolarHBondContact O-CB 3.49Å; R291-L295 WeakPolarHBondContact O-CD1 3.34Å; R291-L295 VanDerWaalsContact O-CG 3.26Å; R291-L295 WeakPolarHBondContact O-CG 3.45Å; R291-L295 PolarHBondContact O-N 3.04Å; V292-L295 CarbonylContact O-C 3.6Å; V292-L295 PolarHBondContact O-N 2.93Å; L295-Q298 PolarHBondContact O-N 3.4Å; L295-N299 WeakPolarHBondContact O-CB 3.38Å; L295-N299 PolarHBondContact O-N 3.34Å; L295-N299 PolarHBondContact O-ND2 3.22Å
296E98.5Very high98.4Very high124 Ų12498 Ų9858%0.57950%0.497SS*.Hα-helixtrans-63.4-45.7173.9-73.1171.7161.500111.1V292 N299 K300V292-E296 HydrophobicContact CG1-CG 4.18Å; V292-E296 WeakPolarHBondContact CG1-OE1 3.36Å; V292-E296 WeakPolarHBondContact O-CG 3.37Å; V292-E296 PolarHBondContact O-N 3.26Å; E296-N299 PolarHBondContact O-N 3.3Å; E296-K300 WeakPolarHBondContact O-CB 3.47Å; E296-K300 PolarHBondContact O-N 2.99Å
297N98.7Very high98.3Very high99 Ų9997.9 Ų97.953%0.52950%0.497SS..Hα-helixtrans-64.5-42.4175.8-17179.5000112.3A293 V294 K300 T301A293-N297 WeakPolarHBondContact O-CB 3.43Å; A293-N297 PolarHBondContact O-N 3.33Å; V294-N297 PolarHBondContact O-N 3.48Å; N297-K300 WeakPolarHBondContact O-CB 3.36Å; N297-K300 PolarHBondContact O-N 2.95Å; N297-T301 PolarHBondContact O-N 2.99Å; N297-T301 PolarHBondContact O-OG1 3.05Å
298Q98.6Very high98.1Very high103 Ų10398.7 Ų98.748%0.48150%0.499SS..Hα-helixtrans-60.9-45.7174.7-76.5177.1-2900112.1V294 L295 K300 T301 L302V294-Q298 WeakPolarHBondContact O-CB 3.22Å; V294-Q298 WeakPolarHBondContact O-CG 3.41Å; V294-Q298 PolarHBondContact O-N 3.04Å; L295-Q298 PolarHBondContact O-N 3.4Å; Q298-K300 VanDerWaalsContact C-N 3.31Å; Q298-K300 PolarHBondContact O-N 3.12Å; Q298-T301 PolarHBondContact O-N 3.37Å; Q298-L302 VanDerWaalsContact O-CG 3.32Å; Q298-L302 WeakPolarHBondContact O-CG 3.3Å; Q298-L302 PolarHBondContact O-N 3.21Å
299N98.5Very high98Very high93 Ų93100.6 Ų100.650%0.49751%0.509SS..Hα-helixtrans-60.8-40.7175-81.1-66000111.6L295 E296 L302 I303L295-N299 WeakPolarHBondContact O-CB 3.38Å; L295-N299 PolarHBondContact O-N 3.34Å; L295-N299 PolarHBondContact O-ND2 3.22Å; E296-N299 PolarHBondContact O-N 3.3Å; N299-L302 PolarHBondContact O-N 2.93Å; N299-I303 WeakPolarHBondContact O-CB 3.17Å; N299-I303 WeakPolarHBondContact O-CD1 3.28Å; N299-I303 WeakPolarHBondContact O-CG1 3.43Å; N299-I303 PolarHBondContact O-N 3.41Å
300K98.6Very high97.8Very high119 Ų119102.1 Ų102.152%0.51751%0.514SS..Hα-helixtrans-60.3-49.6176.1-176.6-177168.3-173.60111.9E296 N297 Q298 L302 I303 E304E296-K300 WeakPolarHBondContact O-CB 3.47Å; E296-K300 PolarHBondContact O-N 2.99Å; N297-K300 WeakPolarHBondContact O-CB 3.36Å; N297-K300 PolarHBondContact O-N 2.95Å; Q298-K300 VanDerWaalsContact C-N 3.31Å; Q298-K300 PolarHBondContact O-N 3.12Å; K300-L302 PolarHBondContact O-N 2.92Å; K300-I303 PolarHBondContact O-N 3Å; K300-E304 WeakPolarHBondContact CE-OE1 3.2Å; K300-E304 IonicContact NZ-OE1 3.96Å; K300-E304 WeakPolarHBondContact O-CG 3.45Å; K300-E304 PolarHBondContact O-N 3Å
301T98.5Very high97.5Very high56 Ų56101.3 Ų101.334%0.34451%0.51SS..Hα-helixtrans-59.7-45.1177.3-580000111.6N297 Q298 I303 E304 E305N297-T301 PolarHBondContact O-N 2.99Å; N297-T301 PolarHBondContact O-OG1 3.05Å; Q298-T301 PolarHBondContact O-N 3.37Å; T301-I303 VanDerWaalsContact C-N 3.31Å; T301-I303 PolarHBondContact O-N 3.36Å; T301-E304 PolarHBondContact O-N 3.43Å; T301-E304 VanDerWaalsContact O-N 3.12Å; T301-E305 HydrophobicContact CG2-CG 4.47Å; T301-E305 WeakPolarHBondContact O-CG 3.32Å; T301-E305 PolarHBondContact O-N 3.26Å
302L98.5Very high97.2Very high91 Ų9198.9 Ų98.948%0.47651%0.509SS..Hα-helixtrans-62.9-35.1177.1-69.6169.4000112.8Q298 N299 K300 L306Q298-L302 VanDerWaalsContact O-CG 3.32Å; Q298-L302 WeakPolarHBondContact O-CG 3.3Å; Q298-L302 PolarHBondContact O-N 3.21Å; N299-L302 PolarHBondContact O-N 2.93Å; K300-L302 PolarHBondContact O-N 2.92Å; L302-L306 VanDerWaalsContact O-CB 3.28Å; L302-L306 WeakPolarHBondContact O-CB 3.44Å; L302-L306 WeakPolarHBondContact O-CG 3.45Å; L302-L306 PolarHBondContact O-N 3.46Å
303I97.8Very high96.7Very high114 Ų114104.1 Ų104.159%0.58552%0.522SS*.Hα-helixtrans-67.7-39.1173.9-71.9163.9000111.1N299 K300 T301 K307N299-I303 WeakPolarHBondContact O-CB 3.17Å; N299-I303 WeakPolarHBondContact O-CD1 3.28Å; N299-I303 WeakPolarHBondContact O-CG1 3.43Å; N299-I303 PolarHBondContact O-N 3.41Å; K300-I303 PolarHBondContact O-N 3Å; T301-I303 VanDerWaalsContact C-N 3.31Å; T301-I303 PolarHBondContact O-N 3.36Å; I303-K307 WeakPolarHBondContact O-CB 3.48Å; I303-K307 PolarHBondContact O-N 3.49Å
304E97.6Very high95.7Very high101 Ų101105.9 Ų105.947%0.47253%0.53SS..Hα-helixtrans-68.4-42.3176.9-72.2172.2-179.200111.7K300 T301 K307 T308K300-E304 WeakPolarHBondContact CE-OE1 3.2Å; K300-E304 IonicContact NZ-OE1 3.96Å; K300-E304 WeakPolarHBondContact O-CG 3.45Å; K300-E304 PolarHBondContact O-N 3Å; T301-E304 PolarHBondContact O-N 3.43Å; T301-E304 VanDerWaalsContact O-N 3.12Å; E304-K307 WeakPolarHBondContact O-CB 3.49Å; E304-K307 PolarHBondContact O-N 3.29Å; E304-T308 PolarHBondContact O-N 2.89Å; E304-T308 PolarHBondContact O-OG1 3.23Å
305E97.1Very high94.2Very high108 Ų108109.5 Ų109.551%0.50554%0.542SS..Hα-helixtrans-62.7-46.1172.3-71.8174.9-177.500112.4T301 K307 T308 L309T301-E305 HydrophobicContact CG2-CG 4.47Å; T301-E305 WeakPolarHBondContact O-CG 3.32Å; T301-E305 PolarHBondContact O-N 3.26Å; E305-K307 PolarHBondContact O-N 3.28Å; E305-T308 PolarHBondContact O-N 3.22Å; E305-T308 PolarHBondContact O-OG1 3.44Å; E305-T308 VanDerWaalsContact O-OG1 3.09Å; E305-L309 VanDerWaalsContact O-CB 3.31Å; E305-L309 WeakPolarHBondContact O-CB 3.34Å; E305-L309 PolarHBondContact O-N 2.94Å
306L97Very high92.5Very high98 Ų98114.3 Ų114.351%0.51356%0.56SS.*Hα-helixtrans-65.3-25.5175.2-73.9172.4000112.4L302 K310L302-L306 VanDerWaalsContact O-CB 3.28Å; L302-L306 WeakPolarHBondContact O-CB 3.44Å; L302-L306 WeakPolarHBondContact O-CG 3.45Å; L302-L306 PolarHBondContact O-N 3.46Å; L306-K310 WeakPolarHBondContact O-CB 3.34Å; L306-K310 VanDerWaalsContact O-CD 3.3Å; L306-K310 WeakPolarHBondContact O-CD 3.35Å; L306-K310 WeakPolarHBondContact O-CG 3.37Å; L306-K310 PolarHBondContact O-N 3.27Å
307K96.5Very high90.5Very high150 Ų150112.5 Ų112.565%0.65256%0.561SS**Hα-helixtrans-73.6-52.4173.2-174.2-174.5175.6-171.10110.9I303 E304 E305 L309 K310 D311I303-K307 WeakPolarHBondContact O-CB 3.48Å; I303-K307 PolarHBondContact O-N 3.49Å; E304-K307 WeakPolarHBondContact O-CB 3.49Å; E304-K307 PolarHBondContact O-N 3.29Å; E305-K307 PolarHBondContact O-N 3.28Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.39Å; K307-K310 PolarHBondContact O-N 3.09Å; K307-D311 WeakPolarHBondContact O-CB 3.44Å; K307-D311 PolarHBondContact O-N 2.99Å
308T95.4Very high88Confident96 Ų96117.2 Ų117.259%0.58959%0.592SS**Hα-helixtrans-63.2-36.2-179.2550000112.2E304 E305 D311 L312E304-T308 PolarHBondContact O-N 2.89Å; E304-T308 PolarHBondContact O-OG1 3.23Å; E305-T308 PolarHBondContact O-N 3.22Å; E305-T308 PolarHBondContact O-OG1 3.44Å; E305-T308 VanDerWaalsContact O-OG1 3.09Å; T308-D311 PolarHBondContact O-N 3.37Å; T308-L312 WeakPolarHBondContact O-CB 2.89Å; T308-L312 PolarHBondContact O-N 3.23Å
309L95.9Very high87.5Confident112 Ų112117.9 Ų117.959%0.58660%0.598SS**Hα-helixtrans-68-37.7176.5-167.666.4000112.6E305 K307 Y313E305-L309 VanDerWaalsContact O-CB 3.31Å; E305-L309 WeakPolarHBondContact O-CB 3.34Å; E305-L309 PolarHBondContact O-N 2.94Å; K307-L309 VanDerWaalsContact C-N 3.3Å; K307-L309 PolarHBondContact O-N 3.39Å; L309-Y313 PolarHBondContact O-N 2.96Å
310K94.3Very high86.9Confident148 Ų148119.2 Ų119.264%0.64360%0.603SS**Hα-helixtrans-66.7-44.5172.9-77.8171-176175.40111.9L306 K307 Y313 C314L306-K310 WeakPolarHBondContact O-CB 3.34Å; L306-K310 VanDerWaalsContact O-CD 3.3Å; L306-K310 WeakPolarHBondContact O-CD 3.35Å; L306-K310 WeakPolarHBondContact O-CG 3.37Å; L306-K310 PolarHBondContact O-N 3.27Å; K307-K310 PolarHBondContact O-N 3.09Å; K310-Y313 PolarHBondContact O-N 3.37Å; K310-C314 WeakPolarHBondContact O-CB 3.31Å; K310-C314 PolarHBondContact O-N 3.46Å
311D93.1Very high86.3Confident88 Ų88119.2 Ų119.247%0.47161%0.608SS.*Hα-helixtrans-58.3-49.8179.4-159.172.2000110.8K307 T308 Y313 C314 H315K307-D311 WeakPolarHBondContact O-CB 3.44Å; K307-D311 PolarHBondContact O-N 2.99Å; T308-D311 PolarHBondContact O-N 3.37Å; D311-Y313 VanDerWaalsContact C-N 3.31Å; D311-Y313 PolarHBondContact O-N 2.97Å; D311-C314 PolarHBondContact O-N 3.16Å; D311-H315 WeakPolarHBondContact O-CB 3.32Å; D311-H315 PolarHBondContact O-CD2 3.32Å; D311-H315 PolarHBondContact O-N 3.47Å; D311-H315 IonicContact OD1-NE2 3.72Å; D311-H315 IonicContact OD2-CD2 2.75Å
312L92.4Very high85.6Confident113 Ų113122.9 Ų122.959%0.59262%0.624SS**Hα-helixtrans-60.4-35.1176.2-178.962.1000113.4T308 K316T308-L312 WeakPolarHBondContact O-CB 2.89Å; T308-L312 PolarHBondContact O-N 3.23Å; L312-K316 VanDerWaalsContact O-CB 3.32Å; L312-K316 WeakPolarHBondContact O-CB 3.48Å
313Y88.6Confident84.8Confident184 Ų184124.9 Ų124.972%0.72263%0.633SS**Hα-helixtrans-77.3-40.1178.1-140.2-86.2000111.8L309 K310 D311 H315 K316 S317L309-Y313 PolarHBondContact O-N 2.96Å; K310-Y313 PolarHBondContact O-N 3.37Å; D311-Y313 VanDerWaalsContact C-N 3.31Å; D311-Y313 PolarHBondContact O-N 2.97Å; Y313-H315 VanDerWaalsContact C-N 3.33Å; Y313-H315 PolarHBondContact O-N 2.88Å; Y313-K316 PolarHBondContact O-N 3.38Å; Y313-K316 VanDerWaalsContact O-N 3.16Å; Y313-S317 PolarHBondContact O-N 2.98Å; Y313-S317 PolarHBondContact O-OG 3.16Å
314C76.8Confident83.9Confident85 Ų85125.7 Ų125.757%0.57464%0.636SS**Hα-helixtrans-67.1-33179.1-159.60000112.5K310 D311 K316 S317K310-C314 WeakPolarHBondContact O-CB 3.31Å; K310-C314 PolarHBondContact O-N 3.46Å; D311-C314 PolarHBondContact O-N 3.16Å; C314-K316 VanDerWaalsContact C-N 3.3Å; C314-S317 PolarHBondContact O-OG 3.48Å
315H67.3Low82.9Confident144 Ų144127.4 Ų127.467%0.66765%0.648SS**THydrogen-bonded Turntrans-83.10.3174.3-72.4-46.2000114.5D311 Y313D311-H315 WeakPolarHBondContact O-CB 3.32Å; D311-H315 PolarHBondContact O-CD2 3.32Å; D311-H315 PolarHBondContact O-N 3.47Å; D311-H315 IonicContact OD1-NE2 3.72Å; D311-H315 IonicContact OD2-CD2 2.75Å; Y313-H315 VanDerWaalsContact C-N 3.33Å; Y313-H315 PolarHBondContact O-N 2.88Å
316K62.4Low81.8Confident175 Ų175128.9 Ų128.976%0.76166%0.659SS**THydrogen-bonded Turntrans-117.89.8179.8-158.3167-176.5175.60113.5L312 Y313 C314L312-K316 VanDerWaalsContact O-CB 3.32Å; L312-K316 WeakPolarHBondContact O-CB 3.48Å; Y313-K316 PolarHBondContact O-N 3.38Å; Y313-K316 VanDerWaalsContact O-N 3.16Å; C314-K316 VanDerWaalsContact C-N 3.3Å
317S56.7Low80.6Confident86 Ų86131.5 Ų131.560%0.60167%0.671SS**  trans-113.437.7177.459.90000112.4Y313 C314Y313-S317 PolarHBondContact O-N 2.98Å; Y313-S317 PolarHBondContact O-OG 3.16Å; C314-S317 PolarHBondContact O-OG 3.48Å
318V47.1Very low79.1Confident197 Ų197129.8 Ų129.8100%1.19467%0.673SS**  trans-132.60174.3-174.70000108.1

Retrieved 318 of 318 residues in 139.3 ms (Link to these results)