A0A087X3X7_POEFO Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X3X7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 391 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
1T51.5Low43.9Very low198 Ų198181.3 Ų181.3100%1.21587%0.867SS**  036.6037.10000114.4
2K47.8Very low43.3Very low210 Ų210181.4 Ų181.491%0.91386%0.862SS**  trans-14439.2165.4-95.1-171.1-179.9177.40113.1
3Y39.6Very low42.9Very low234 Ų234178.3 Ų178.392%0.91886%0.861SS**SBendtrans-147.727.9174.2-138.9-91.8000114.1
4R43Very low42.3Very low239 Ų239177.2 Ų177.290%0.90286%0.861SS**SBendtrans-134.822.7-178.5-128.7-178.9-173178.52.2115.2
5E47.1Very low42Very low175 Ų175176.8 Ų176.882%0.81886%0.856SS**SBendtrans-129.611.2-178-73.3-169.915500115.7
6K46.6Very low41.3Very low203 Ų203175.3 Ų175.388%0.88385%0.854SS**SBendtrans-98.62.4173.6-84.9-173.8175-177.10115.4
7T47.3Very low40.7Very low125 Ų125173.4 Ų173.477%0.76786%0.855SS**SBendtrans-10914.3179.1-35.70000113.2
8R40.8Very low40.2Very low227 Ų227170.4 Ų170.486%0.85785%0.854SS**SBendtrans-116.14.9177.9-80.4-175174.6168-3.2115.5
9L42.6Very low39.9Very low163 Ų163170.1 Ų170.185%0.85386%0.855SS**SBendtrans-114.65.6178.7-99.1151.7000114.6
10A38.9Very low39.5Very low81 Ų81168 Ų16867%0.66985%0.853SS**SBendtrans-104.1-4.2176.200000114.2
11N38Very low38.9Very low139 Ų139163 Ų16374%0.74384%0.843SS**SBendtrans-114.825.8-176.1-77.6-6.8000114
12F36.8Very low39.1Very low183 Ų183159.5 Ų159.580%0.80382%0.824SS**SBendtrans-120.218180-154.5-99.7000115
13V38.1Very low38.1Very low141 Ų141155.2 Ų155.286%0.85582%0.821SS**SBendtrans-134.432.1172.6-160.70000111.9
14L34.2Very low37.7Very low163 Ų163153 Ų15385%0.85382%0.816SS**SBendtrans-119.84.7171.3-82173.7000114.4
15E37.2Very low37Very low171 Ų171148.7 Ų148.780%0.79981%0.806SS**SBendtrans-137.997.3173.3-75.2179.9160.200108.4
16N32Very low35.9Very low152 Ų152149.1 Ų149.181%0.81381%0.805SS**  trans151.892.3152.8-78.2-35.5000109.1
17T31Very low35Very low144 Ų144144.3 Ų144.388%0.88380%0.798SS**  176.8103.9121.929.20000109.4
18S30.7Very low34.2Very low119 Ų119147.4 Ų147.483%0.83280%0.803SS**  trans-65.8128.2160.9-560000109.7
19L34.9Very low33.6Very low165 Ų165145.6 Ų145.686%0.86480%0.804SS**  trans28.6141.9144.7-68.3176.1000120.4
20P32.1Very low33Very low127 Ų127145.9 Ų145.983%0.82581%0.807SS**  -143.315576.635.9-17.4000116
21G26.4Very low32.8Very low63 Ų63149 Ų14965%0.64981%0.813SS**  trans-102-167155.800000110.6
22P56.3Low32.6Very low125 Ų125148.4 Ų148.481%0.81282%0.816SS**  cis-122.3160.7-4836.8-24000111.2
23S27.5Very low32.4Very low121 Ų121143.4 Ų143.485%0.84681%0.808SS**  trans-157.2111.8157.5-88.10000113.8
24K31.1Very low32.2Very low187 Ų187141.2 Ų141.281%0.81380%0.798SS**  trans7.5142.6147-51.6178.3177.7-179.90117.4
25H27.4Very low32Very low148 Ų148141 Ų14169%0.68579%0.793SS**  176.6155.750.8-135.6-62.4000110.9
26F24.5Very low31.9Very low184 Ų184138.7 Ų138.781%0.80779%0.79SS**  trans73.3131.9165.7-77.6-86.9000118.5
27S27.7Very low31.6Very low103 Ų103137.4 Ų137.472%0.7278%0.783SS**  cis-153.9137.61346.20000110.9
28E29.6Very low31.3Very low190 Ų190141.4 Ų141.489%0.88878%0.782SS**  trans-63.3131.4174.7-69.5165.9138.300112.2
29Q28.3Very low31.1Very low188 Ų188144.3 Ų144.388%0.87978%0.782SS**  trans-136.6127.8146.2-75.2-169.5-1.400109.5
30N30.1Very low30.8Very low170 Ų170142.2 Ų142.291%0.90978%0.779SS**  trans-48.2126.6-171.6-67.2-56.3000114.5
31N34.3Very low30.6Very low147 Ų147140 Ų14079%0.78678%0.78SS**  trans-142.4123.6164.5-141.9-9.7000107.6A33N31-A33 PolarHBondContact O-N 2.98Å
32P34.9Very low30.6Very low125 Ų125147 Ų14781%0.81279%0.792SS**  trans-68.5107.4-171.525.9-31.4000109.8
33A32.8Very low29.2Very low78 Ų78148 Ų14865%0.64579%0.791SS**  trans-63.9140.7175.500000110.6N31 H35N31-A33 PolarHBondContact O-N 2.98Å; A33-H35 PolarHBondContact O-N 3.34Å
34C32.7Very low29.2Very low95 Ų95151.7 Ų151.764%0.64280%0.795SS**  trans-59.588175.7-42.20000110.4V36C34-V36 PolarHBondContact O-N 2.95Å; C34-V36 VanDerWaalsContact O-N 3.1Å
35H30.9Very low29.1Very low159 Ų159154.1 Ų154.174%0.73680%0.799SS**  trans-72.8101.9169.1-95.8-87.2000109.4A33 N37A33-H35 PolarHBondContact O-N 3.34Å; H35-N37 PolarHBondContact ND1-OD1 3.26Å
36V34.2Very low29.4Very low123 Ų123153 Ų15375%0.74581%0.805SS**  trans-101.792157.8-142.80000105.1C34 W38C34-V36 PolarHBondContact O-N 2.95Å; C34-V36 VanDerWaalsContact O-N 3.1Å; V36-W38 PolarHBondContact O-N 3.1Å
37N26.7Very low29.5Very low125 Ų125151.2 Ų151.267%0.66880%0.804SS**  trans-70115.8177.8-77.8-4.6000109.5H35H35-N37 PolarHBondContact ND1-OD1 3.26Å
38W24.2Very low29.4Very low228 Ų228153.5 Ų153.586%0.86481%0.807SS**  trans-122.8105.8156.4-91.580.9000106.2V36V36-W38 PolarHBondContact O-N 3.1Å
39E26.3Very low29.3Very low179 Ų179149.4 Ų149.484%0.83680%0.799SS**  trans-92.3135.8167.1-71.4-169.2159.800109.7
40P29.1Very low29.3Very low121 Ų121149 Ų14979%0.78680%0.797SS**  trans-92.4112.9162.831.4-22.6000109.6
41G27.6Very low29.2Very low82 Ų82146.7 Ų146.785%0.84579%0.785SS**PPolyproline II helixtrans-78.4129.6172.800000112
42F27.1Very low28.9Very low208 Ų208149 Ų14991%0.91278%0.783SS**PPolyproline II helixtrans-63.8152.2175.5-104.6-105.2000113.7
43D27.2Very low28.4Very low148 Ų148151 Ų15179%0.79178%0.781SS**PPolyproline II helixtrans-54.4135.8169.9-74.9-60.6000113.9
44Q26.8Very low28Very low197 Ų197152 Ų15292%0.92178%0.783SS**  trans-167.2121.6137.2-104.9163.769.600110.7
45R29Very low27.6Very low239 Ų239156.2 Ų156.290%0.90279%0.794SS**  trans-80.6150.1160.6-76-171.9178.5-156.71.1108.5
46P34.2Very low27.4Very low125 Ų125154.7 Ų154.781%0.81280%0.795SS**  -146.1150.680.633.6-13000117.3
47D25.2Very low27Very low145 Ų145156.7 Ų156.778%0.77580%0.801SS**  trans45.8145.4139.5-133.36.2000126.1
48L27.3Very low27Very low151 Ų151155.6 Ų155.679%0.79180%0.803SS**  trans-38.9141.3-177.9-65155.6000119.4
49S26.7Very low27.2Very low104 Ų104153.1 Ų153.173%0.72780%0.801SS**  168125.4103.265.10000114.2
50Q28.7Very low27.1Very low179 Ų179150.2 Ų150.284%0.83680%0.801SS**  trans51.3128141.3-75.9174-35.400124.2
51D27.2Very low27Very low123 Ų123151 Ų15166%0.65880%0.799SS**  trans96.9117.9131.3-90.116000123
52R27.5Very low26.9Very low194 Ų194156.6 Ų156.673%0.73280%0.8SS**  trans81.9118.7143.6-71.3-175.5-153.8-145.83.8121.6
53Q24.8Very low26.9Very low167 Ų167155 Ų15578%0.7880%0.795SS**  trans57133.5130.2-64176.3-28.100116.4
54S24.3Very low26.9Very low99 Ų99154.6 Ų154.669%0.69279%0.793SS**  cis173.4136.55.736.90000103.1
55E25Very low26.8Very low184 Ų184156.8 Ų156.886%0.8679%0.793SS**  trans159.1111.9144.9-90174170.800111.3
56V27.1Very low26.6Very low127 Ų127155 Ų15577%0.7779%0.788SS**  33.9117.7129.7-166.70000117.2
57L25.2Very low26.2Very low165 Ų165155 Ų15586%0.86479%0.785SS**  -172.3136.3119.1-92.7167.2000110.6
58S27.5Very low26.4Very low102 Ų102155.8 Ų155.871%0.71379%0.788SS**  trans-68.8136.2179.749.80000112.6
59E26.8Very low26.3Very low176 Ų176155.9 Ų155.982%0.82279%0.79SS**  trans-161.7108.8150.5-111.7165.6-146.100112.1N61E59-N61 PolarHBondContact O-N 2.86Å
60S25.3Very low26.3Very low119 Ų119158.3 Ų158.383%0.83280%0.795SS**  trans-85.390.2174.354.10000110.3
61N26.8Very low26.2Very low137 Ų137155.9 Ų155.973%0.73379%0.786SS**  trans-97.196.6166.9-95.4-44.5000109.7E59E59-N61 PolarHBondContact O-N 2.86Å
62F26.2Very low26Very low200 Ų200153 Ų15388%0.87779%0.786SS**  trans-113.499.2165.8-99.3-85.3000110.1N64F62-N64 PolarHBondContact O-N 3.24Å
63Q26.9Very low26.1Very low174 Ų174149.4 Ų149.481%0.81379%0.791SS**  trans-59.4123.8168.5-77.7159.3-4000110.4R65Q63-R65 PolarHBondContact O-N 3.23Å
64N25.7Very low26.2Very low139 Ų139149.5 Ų149.574%0.74379%0.789SS**  trans-71.9106.3171.6-89.7-63.9000110.2F62 Y66F62-N64 PolarHBondContact O-N 3.24Å; N64-Y66 HydrophobicContact CB-CE2 4.21Å; N64-Y66 PolarHBondContact O-N 3.31Å
65R26.2Very low26.2Very low243 Ų243148.2 Ų148.292%0.91779%0.791SS**  trans-73.9107.1165.5-125.8179.2-179.2150.70108.8Q63Q63-R65 PolarHBondContact O-N 3.23Å
66Y24.3Very low26.3Very low203 Ų203148.9 Ų148.980%0.79679%0.791SS**  trans-80.7114.3170.1-74.2-84.6000109.5N64N64-Y66 HydrophobicContact CB-CE2 4.21Å; N64-Y66 PolarHBondContact O-N 3.31Å
67V26.3Very low26.4Very low124 Ų124147.6 Ų147.675%0.75279%0.785SS**  trans-83.2113.6163.7177.80000107.6
68L29.8Very low26.5Very low161 Ų161143.5 Ų143.584%0.84378%0.783SS**  trans-65.8123.2166.2-73.3164.2000108.5
69N24.8Very low26.6Very low154 Ų154147.1 Ų147.182%0.82478%0.783SS**  trans-130.8121.2155.3-86.4-18.8000107.9
70D25.4Very low26.7Very low155 Ų155142.8 Ų142.883%0.82979%0.785SS**  trans-55.5137176.9-75.1-49.8000112.8
71L27.3Very low26.8Very low127 Ų127144.3 Ų144.367%0.66578%0.779SS**  trans-148.4107.1142-79.1-173.9000109.2
72G23Very low26.9Very low63 Ų63146.5 Ų146.565%0.64979%0.787SS**  trans-65.2165.4162.700000113
73S29.9Very low27.2Very low119 Ų119142.4 Ų142.483%0.83278%0.775SS**  trans63.686.4172-64.30000116.5
74F27.2Very low27.1Very low168 Ų168142.6 Ų142.674%0.73778%0.781SS**  trans-109116.2149.5-79.7-82.3000108.8
75G24.1Very low27.3Very low72 Ų72144.6 Ų144.674%0.74278%0.78SS**PPolyproline II helixtrans-57138.5164.300000110.1P77G75-P77 WeakPolarHBondContact O-CD 3.38Å
76K27.1Very low27.4Very low199 Ų199140.5 Ų140.587%0.86578%0.776SS**PPolyproline II helixtrans-58.9129.2-179.6-59.4176.7178.2-179.80110.7
77P28.3Very low27.5Very low99 Ų99134 Ų13464%0.64377%0.771SS**PPolyproline II helixtrans-91.9121.2147.3117.4000107.8G75 Y79G75-P77 WeakPolarHBondContact O-CD 3.38Å; P77-Y79 VanDerWaalsContact O-CD1 3.23Å; P77-Y79 WeakPolarHBondContact O-CD1 3.42Å; P77-Y79 PolarHBondContact O-N 3.41Å
78G28Very low27.7Very low80 Ų80135.7 Ų135.783%0.82578%0.775SS**PPolyproline II helixtrans-54.1119173.800000111
79Y30.1Very low27.7Very low177 Ų177137.2 Ų137.269%0.69478%0.778SS**PPolyproline II helixtrans-99.3117.4165.733.7-92.7000106.5P77 E81P77-Y79 VanDerWaalsContact O-CD1 3.23Å; P77-Y79 WeakPolarHBondContact O-CD1 3.42Å; P77-Y79 PolarHBondContact O-N 3.41Å; Y79-E81 HydrophobicContact CD2-CG 4.45Å; Y79-E81 PolarHBondContact O-N 3.47Å
80G27.5Very low27.8Very low85 Ų85137.2 Ų137.288%0.87678%0.778SS**  trans-74.8106.915900000107.1
81E27.5Very low27.8Very low151 Ų151135.3 Ų135.371%0.70678%0.776SS**  trans-71.1120.6168.9-88.3170.2140.700109.4Y79Y79-E81 HydrophobicContact CD2-CG 4.45Å; Y79-E81 PolarHBondContact O-N 3.47Å
82M30.4Very low28Very low184 Ų184135.1 Ų135.191%0.90678%0.783SS**  trans-142.789.8145.2-85.5-170.1-178.400106.8
83D31.1Very low28.2Very low114 Ų114138.7 Ų138.761%0.6179%0.792SS**  trans-127.1119.4150.9-78.4-41.8000104.9Y85D83-Y85 PolarHBondContact O-N 3.08Å; D83-Y85 VanDerWaalsContact O-N 3.09Å
84N25.9Very low28Very low177 Ų177142.3 Ų142.395%0.94780%0.795SS**  trans-52.3113.8177.8-85.6-40.2000110.2
85Y28.6Very low28Very low182 Ų182141.5 Ų141.571%0.71480%0.798SS**  trans-85.5114.1166.3-95.1-96000108.2D83 G87D83-Y85 PolarHBondContact O-N 3.08Å; D83-Y85 VanDerWaalsContact O-N 3.09Å; Y85-G87 PolarHBondContact O-N 3.44Å; Y85-G87 VanDerWaalsContact O-N 3.12Å
86D28.3Very low28.5Very low156 Ų156143.1 Ų143.183%0.83480%0.795SS**  trans-66105.5153.2-79.4-37.3000107.4L88D86-L88 PolarHBondContact O-N 3.21Å
87G27.3Very low28.4Very low68 Ų68140.8 Ų140.870%0.70179%0.793SS**  trans-68.8114174.600000110.5Y85Y85-G87 PolarHBondContact O-N 3.44Å; Y85-G87 VanDerWaalsContact O-N 3.12Å
88L30Very low28.1Very low158 Ų158139.4 Ų139.483%0.82780%0.796SS**  trans-96.9100.3153.9-81.3160.9000106.7D86D86-L88 PolarHBondContact O-N 3.21Å
89Q29.5Very low27.9Very low193 Ų193144 Ų14490%0.90280%0.8SS**  trans-74.2116.7162.8-78.6177-27.700107.9
90D26.7Very low27.6Very low155 Ų155140.1 Ų140.183%0.82980%0.8SS**  trans-84110.3163.4-76.9-36.7000108.3
91S26.7Very low27.4Very low114 Ų114146.8 Ų146.880%0.79780%0.8SS**  trans-155.5148.2154.6-78.60000110.4
92P31.3Very low27.2Very low124 Ų124144.6 Ų144.681%0.80580%0.797SS**  trans-85.7148-148.732.1-34.1000115
93T26Very low26.9Very low137 Ų137141.5 Ų141.584%0.8478%0.784SS**  trans-63.3125.7172.112.90000112.5
94H27Very low26.5Very low195 Ų195143.2 Ų143.290%0.90379%0.788SS**  trans-146.6117.6146.5-106.6-76.8000109.1
95L26.6Very low26.4Very low151 Ų151142.5 Ų142.579%0.79178%0.777SS**  trans-82.3161.5162.2-98.5164.2000108.2
96P35.2Very low26.2Very low106 Ų106140.1 Ų140.169%0.68878%0.776SS**  -151.8175.158.240.6-18.3000119.6
97D25.1Very low26.1Very low151 Ų151140 Ų14081%0.80777%0.771SS**  trans78.2112.1151.9-61.7-23.8000123.1
98G22.2Very low25.9Very low69 Ų69142.6 Ų142.671%0.71177%0.769SS**  77.5106.8118.700000118.5
99L24Very low25.8Very low176 Ų176144.7 Ų144.792%0.92177%0.766SS**  171.6144.7110.8-86173.1000111.3
100S22.5Very low25.7Very low97 Ų97143.7 Ų143.768%0.67876%0.758SS**  trans-56.2144.3-179.353.60000116.2
101Y23.9Very low25.8Very low225 Ų225143.3 Ų143.388%0.88276%0.756SS**  trans-155.8141.7131-145.2-102.8000112.2
102V22.4Very low26.3Very low105 Ų105142.6 Ų142.664%0.63675%0.749SS**  trans-102.7160.1-172.6-1710000109.6
103N24.1Very low26.1Very low118 Ų118145.4 Ų145.463%0.63175%0.751SS**  trans116.4103.9152.7-59.6-44.1000113.2
104Q23.9Very low26Very low150 Ų150142.6 Ų142.670%0.70175%0.749SS**  83.9144.459.4-159.317744.200111.6
105F23.3Very low26Very low162 Ų162137.5 Ų137.571%0.71174%0.741SS**  trans86.6137.9172.6-64.5-84.3000117.3
106D25.1Very low25.9Very low132 Ų132138.1 Ų138.171%0.70674%0.74SS**  cis-166.9171.1-18.6-139.5-16.4000108.3
107E25.2Very low25.7Very low155 Ų155142.3 Ų142.372%0.72475%0.75SS**  trans-59166.2179-57.8-168.8140.600117.4
108N24.5Very low25.8Very low122 Ų122142 Ų14265%0.65274%0.744SS**  trans104.8119.8132.6-81.8-43.2000121.2
109R27Very low25.9Very low201 Ų201144.7 Ų144.776%0.75875%0.751SS**  97.2126.4124.4-91179.4169.2-174.80.1120.7
110K28.1Very low26Very low173 Ų173146.6 Ų146.675%0.75275%0.747SS**  trans90.3106.1137.3-71.9172.2177.1-172.90118.8
111N27.8Very low26.3Very low147 Ų147148.4 Ų148.479%0.78675%0.754SS**  trans-65.7151.2139.6-152.99.4000108.6
112P37.8Very low26.3Very low98 Ų98142.8 Ų142.864%0.63675%0.754SS**  -149162.879.335.5-14.7000117.2
113E26.1Very low26.5Very low183 Ų183141.3 Ų141.386%0.85576%0.76SS**  trans66.1126.7139.8-73.9170.7-174.300122.9
114G23.4Very low26.6Very low78 Ų78141.6 Ų141.680%0.80477%0.772SS**  118.4139.4124.700000118.3
115A27.4Very low27.1Very low89 Ų89140.7 Ų140.774%0.73678%0.778SS**  trans9385.416200000119.3
116E25.5Very low27.3Very low164 Ų164141.2 Ų141.277%0.76678%0.783SS**  22.3125.2116.2-55.9-176.4171.400119.1
117H31.3Very low27.4Very low193 Ų193141.8 Ų141.889%0.89479%0.786SS**  trans-128.3109.4154.9-88.9-91.9000110.3
118Q27.3Very low27.5Very low144 Ų144146.5 Ų146.567%0.67380%0.798SS**  trans-80.2147.6174.9-68.4174.9-200111.6
119C23.7Very low27.6Very low127 Ų127143.7 Ų143.786%0.85880%0.797SS**  trans-68.2138169.9-59.20000111.6
120Y26.6Very low27.6Very low215 Ų215140.7 Ų140.784%0.84380%0.801SS**  trans-123.7123.7161.1-89.1-83.5000110.4
121T27.3Very low27.5Very low136 Ų136141.4 Ų141.483%0.83481%0.807SS**  trans-92.7134.9162.346.20000109.5
122A25.7Very low27.4Very low107 Ų107143.2 Ų143.288%0.88481%0.811SS**  trans-173.7138.9146.600000111.9
123G25.6Very low26.8Very low74 Ų74143.2 Ų143.276%0.76381%0.813SS**  trans11188.5137.800000118
124S26.5Very low26.7Very low124 Ų124140.1 Ų140.187%0.86781%0.812SS**  trans-70.4154.4149-57.10000110.8
125P33.8Very low27.4Very low130 Ų130141.7 Ų141.784%0.84481%0.808SS**  trans-127.6160.713817.92.2000113.7
126Q27.9Very low27.2Very low174 Ų174143.2 Ų143.281%0.81381%0.808SS**  trans-91.1163-164.5-60.2171-36.700115.4
127N27Very low27.2Very low144 Ų144147.2 Ų147.277%0.7782%0.816SS**  trans84.6117.2135.5-83.6-30000123.6
128R27.8Very low26.9Very low254 Ų254143.1 Ų143.196%0.95881%0.805SS**  159.6135.8126-92.4-177.4-164174.55.9107.8
129G25.2Very low26.8Very low62 Ų62143.1 Ų143.164%0.63981%0.809SS**  cis173.9177.64.100000108.3
130T28.4Very low26.9Very low139 Ų139141.6 Ų141.685%0.85380%0.8SS**  trans72.997.8172.668.70000116.6
131E26Very low26.8Very low187 Ų187138.9 Ų138.987%0.87480%0.8SS**  66.8108.571.9-66.2-162.417300115.1
132E24.5Very low26.7Very low185 Ų185139.3 Ų139.386%0.86480%0.802SS**  -179.5116.3115.6-94.2-172.6174.300113.4
133S26.1Very low26.7Very low98 Ų98139.8 Ų139.869%0.68580%0.8SS**  trans28.6113.7143.944.20000125
134S22.9Very low26.7Very low118 Ų118140.1 Ų140.183%0.82580%0.802SS**  45.2165.4110-64.70000123
135P38.3Very low26.8Very low112 Ų112143.6 Ų143.673%0.72781%0.805SS**  cis-140.7164.7-1426.8-2.1000117.7
136V24.1Very low26.3Very low121 Ų121147 Ų14773%0.73381%0.807SS**  trans49.2127.3131.8-176.90000121.7
137R25Very low26.3Very low247 Ų247144 Ų14493%0.93281%0.805SS**  -157.3131.4124.1-110.9175.6176.4-141-1.9113.7
138T25.3Very low26.2Very low108 Ų108140.5 Ų140.566%0.66380%0.803SS**  trans-90.5162.4178.250.30000112
139N25Very low26.2Very low143 Ų143136.2 Ų136.277%0.76580%0.799SS**  trans156.4105.4140.2-78.8-5.6000108.3
140S26.5Very low26.3Very low95 Ų95141.5 Ų141.566%0.66481%0.811SS**  76.2106.378.671.10000114.6
141D23.7Very low26.3Very low158 Ų158142.2 Ų142.285%0.84581%0.808SS**  trans25124143.9-53.9-31.4000121
142V26.4Very low26.2Very low145 Ų145139.4 Ų139.488%0.87980%0.799SS**  trans-147127.5137.3-171.50000109.6
143S25.2Very low26.9Very low118 Ų118140.4 Ų140.483%0.82580%0.804SS**  trans-73.9149.9171.3410000112.7
144G24.9Very low27.7Very low80 Ų80142.3 Ų142.383%0.82580%0.802SS**  trans177.999.7170.100000113.2
145E28Very low28.2Very low198 Ų198140.7 Ų140.793%0.92580%0.804SS**  trans-69.3126.3164.9-66.5176.5145.700110
146F24.4Very low28Very low200 Ų200144.9 Ų144.988%0.87781%0.807SS**  trans-159.1135.2142.6-148.2-101.4000112
147S26.8Very low28.1Very low112 Ų112147.3 Ų147.378%0.78382%0.815SS**  trans-57.7139.1178.4-50.10000113.6
148G26.1Very low28.2Very low70 Ų70144.7 Ų144.772%0.72281%0.813SS**  trans-179.592.4169.400000112.2L150G148-L150 PolarHBondContact O-N 3.12Å
149L27.8Very low28.4Very low165 Ų165147.9 Ų147.986%0.86482%0.821SS**  trans-56115.1163.2-82.8150.6000109.1
150L26.1Very low28.7Very low173 Ų173146.1 Ų146.191%0.90682%0.817SS**  trans-120.5111.7159.2-78.4170.8000107.8G148G148-L150 PolarHBondContact O-N 3.12Å
151I29Very low28.7Very low154 Ų154149 Ų14979%0.7983%0.825SS**  trans-85.8127179.3-55.5163.1000106.2
152D25.1Very low28.8Very low128 Ų128147.4 Ų147.468%0.68482%0.815SS**  trans-94.2149.1169.156.1-8.9000111.3E154D152-E154 PolarHBondContact O-N 3.05Å
153E37.7Very low28.8Very low205 Ų205151.4 Ų151.496%0.95881%0.814SS**SBendtrans-71.120.6-169.2-73-155.8136.100116
154E42.5Very low28.7Very low138 Ų138156 Ų15665%0.64582%0.815SS**SBendtrans-125.158-175-73.2-98154.200110.5D152 Y156D152-E154 PolarHBondContact O-N 3.05Å; E154-Y156 WeakPolarHBondContact O-CD2 3.43Å; E154-Y156 PolarHBondContact O-N 3.16Å
155G34.6Very low28.7Very low85 Ų85157.7 Ų157.788%0.87681%0.814SS**  trans-44.786.6-174.500000116.9
156Y32.7Very low28.7Very low199 Ų199156.8 Ų156.878%0.7881%0.81SS**  trans-113.2112.7168.5-76.8-78.8000110E154E154-Y156 WeakPolarHBondContact O-CD2 3.43Å; E154-Y156 PolarHBondContact O-N 3.16Å
157L27.8Very low28.8Very low173 Ų173155.6 Ų155.691%0.90681%0.807SS**  trans-87.8120.5153.2-76.2169.9000107.9
158Q26.8Very low28.8Very low191 Ų191157.3 Ų157.389%0.89381%0.806SS**  trans-92.9111.6171.5-154.3165.99.200107.2
159E30.2Very low28.8Very low176 Ų176159.6 Ų159.682%0.82281%0.811SS**  trans-64.1138.2176.7-72.3-91.2145.500110.7
160P30.6Very low28.7Very low105 Ų105155.5 Ų155.568%0.68281%0.809SS**  trans-73.1138.6-17727.7-31.9000112.8I162P160-I162 PolarHBondContact O-N 2.75Å; P160-I162 VanDerWaalsContact O-N 3.15Å
161N25.9Very low28.7Very low157 Ų157154.9 Ų154.984%0.8481%0.806SS**  trans-73.493.6-178.8-153.8-13.8000109.7R163N161-R163 PolarHBondContact O-N 2.8Å
162I26.9Very low28.6Very low124 Ų124155.3 Ų155.364%0.63681%0.809SS**  trans-82.8102.6175.6-56179.5000109P160 Y164P160-I162 PolarHBondContact O-N 2.75Å; P160-I162 VanDerWaalsContact O-N 3.15Å; I162-Y164 HydrophobicContact CG2-CD2 3.6Å; I162-Y164 HydrophobicContact CG2-CE2 3.46Å; I162-Y164 VanDerWaalsContact CG2-CE2 3.46Å
163R25.1Very low28.5Very low229 Ų229152.5 Ų152.586%0.86481%0.811SS**  trans-73117.6161.2-75.4-171.6179.4-171.41.4108.6N161N161-R163 PolarHBondContact O-N 2.8Å
164Y23.8Very low27.9Very low214 Ų214148.2 Ų148.284%0.83980%0.803SS**  trans-102112153.5-84.4-84.3000107.8I162I162-Y164 HydrophobicContact CG2-CD2 3.6Å; I162-Y164 HydrophobicContact CG2-CE2 3.46Å; I162-Y164 VanDerWaalsContact CG2-CE2 3.46Å
165S26Very low27.1Very low115 Ų115152.6 Ų152.680%0.80481%0.814SS**  trans-106.1104.5161530000107.1
166E27.3Very low26.6Very low179 Ų179157.4 Ų157.484%0.83682%0.816SS**  trans-88.4135.6156.4-77.5-179.5148.900107.6
167Q26.5Very low26.3Very low176 Ų176153.5 Ų153.582%0.82282%0.818SS**  trans-166.7127.1134.4-106.7-177.6-10.800112.8
168I26.9Very low26.2Very low147 Ų147154.8 Ų154.875%0.75482%0.817SS**  trans100.6117.4136.1-64.2169.6000119.3
169S25.7Very low26.2Very low118 Ų118157.8 Ų157.883%0.82582%0.82SS**  trans-63.8145.5159.4-41.20000112.6
170G25.6Very low25.9Very low80 Ų80152.6 Ų152.683%0.82581%0.813SS**  trans169.9116.7166.300000113.5
171D26.2Very low25.7Very low159 Ų159157.2 Ų157.285%0.8583%0.826SS**  trans-68171.7-171.4-124.3-31.1000116.8
172L27.6Very low25.7Very low163 Ų163158.5 Ų158.585%0.85383%0.827SS**  trans104.4107.4157.1-55.6-178.2000119.2
173G23.2Very low25.6Very low70 Ų70158.6 Ų158.672%0.72283%0.833SS**  107.3110.211500000119.1
174S25.1Very low25.6Very low114 Ų114155 Ų15580%0.79783%0.826SS**  trans94122.3137.2-620000121.7
175R25.5Very low25.4Very low230 Ų230153.6 Ų153.687%0.86883%0.825SS**  trans86.3100.8136.3-70.5168.492.9143.73.2120.1
176M23.8Very low25.9Very low186 Ų186153.3 Ų153.392%0.91682%0.82SS**  28128122-60.8-170.6173.100118.8
177S25Very low25.8Very low117 Ų117151 Ų15182%0.81882%0.818SS**  171152.293.1-161.20000112.4
178F26.5Very low25.8Very low201 Ų201147.9 Ų147.988%0.88282%0.823SS**  trans-69.3155.4-174.6-81.6-108.1000115.2
179R27.8Very low25.6Very low253 Ų253145.7 Ų145.796%0.95582%0.82SS**  trans-158.5119.5133.3-116.6-178.9-174.4-1621.3110.5
180G23.5Very low25.6Very low67 Ų67149.5 Ų149.569%0.69182%0.818SS**  trans-91.5170.5173.800000113.2
181Q26.7Very low25.6Very low203 Ų203153.9 Ų153.995%0.94982%0.817SS**  trans-164.2120.7135-120.6168.8-15.400110.3
182E25.3Very low25.7Very low183 Ų183151.3 Ų151.386%0.85581%0.811SS**  trans-78.5155.3170.7-60.3170.8132.300111.2
183V24.9Very low25.8Very low126 Ų126149 Ų14976%0.76481%0.809SS**  trans-154.4104.9138.9-167.20000112.7
184Q24.3Very low26Very low155 Ų155150.2 Ų150.272%0.72481%0.812SS**  trans58.7114.5131.1-53.2-179.2-40.100122.9
185F20.7Very low26.6Very low184 Ų184149.4 Ų149.481%0.80781%0.806SS**  95.7158.578.6-74.5-51.9000113.5
186P35.8Very low26.8Very low108 Ų108148.5 Ų148.570%0.70181%0.805SS**  cis-138.4158.2537.6-16.6000118.5
187T26Very low27.2Very low132 Ų132143.3 Ų143.381%0.8180%0.798SS**  trans34.4128.1139.767.30000124
188A24.8Very low27.8Very low110 Ų110144.5 Ų144.591%0.90979%0.791SS**  -164.2137.7118.700000110.9
189S24.5Very low28.4Very low100 Ų100139.8 Ų139.870%0.69978%0.779SS**  trans-116.6160.1-179.8510000110.7
190Y24.6Very low29.2Very low198 Ų198134.6 Ų134.678%0.77677%0.769SS**  trans78133.1167.898.8-103.2000115.1
191E25.4Very low30.1Very low173 Ų173138.9 Ų138.981%0.80877%0.771SS**  cis-152.6171.732.1-123.1154.8-149.300113.2
192S28Very low30.8Very low105 Ų105136.5 Ų136.573%0.73476%0.76SS**  trans-67154.4-168.2-64.60000119.2
193S31.1Very low31.5Very low114 Ų114136 Ų13680%0.79775%0.75SS**  trans68.2111.9141.942.70000120
194A27.9Very low32.2Very low96 Ų96135 Ų13579%0.79374%0.74SS**  164.8143.999.500000111.4
195S36.5Very low32.8Very low97 Ų97134.6 Ų134.668%0.67874%0.738SS**  trans66.1102.5157.7-1780000117.5
196Y28.9Very low33.6Very low211 Ų211131.5 Ų131.583%0.82773%0.726SS**  trans154.369.1136.1-90.8-77.8000108.4
197G32.4Very low33.5Very low76 Ų76132.2 Ų132.278%0.78472%0.72SS**  trans-94.383.6165.700000109.6
198E38.1Very low33.9Very low142 Ų142130.9 Ų130.966%0.66471%0.708SS**  trans-102.791.2158.6-80.1-169.6-176.900107.7R203E198-R203 IonicContact OE2-NH2 3.56Å; E198-R203 PolarHBondContact OE2-NH2 3.21Å
199T40.3Very low34.2Very low102 Ų102128.7 Ų128.763%0.62669%0.686SS**  trans-75.1135.5171.145.60000109.4Q201 Q202T199-Q201 PolarHBondContact O-N 3.13Å; T199-Q202 PolarHBondContact O-N 3.41Å
200L42.7Very low34.7Very low144 Ų144129.9 Ų129.975%0.75468%0.68SS**THydrogen-bonded Turntrans-51.1-4.2178-129.8102.6000115.3
201Q42.4Very low35.2Very low157 Ų157125.6 Ų125.673%0.73467%0.671SS**Hα-helixtrans-76.2-30.6-179.9-145.894.22.100113.1T199T199-Q201 PolarHBondContact O-N 3.13Å
202Q41.3Very low35.4Very low153 Ų153125 Ų12572%0.71567%0.668SS**Hα-helixtrans-84.9-23.9-179.1-78.3177.1-11.600113.5T199 L204 H205T199-Q202 PolarHBondContact O-N 3.41Å; Q202-L204 VanDerWaalsContact C-N 3.34Å; Q202-H205 PolarHBondContact O-N 3.5Å
203R41.2Very low35.6Very low173 Ų173124.4 Ų124.465%0.65367%0.67SS**Hα-helixtrans-74.3-26178-155174.1-67.6-175.90.3112.7E198E198-R203 IonicContact OE2-NH2 3.56Å; E198-R203 PolarHBondContact OE2-NH2 3.21Å
204L39.3Very low35.9Very low105 Ų105130.1 Ų130.155%0.5567%0.674SS.*Hα-helixtrans-76.4-24.8174.9-74.7165000113.1Q202 N208Q202-L204 VanDerWaalsContact C-N 3.34Å; L204-N208 PolarHBondContact O-ND2 2.86Å
205H37Very low36.1Very low147 Ų147129.5 Ų129.568%0.68166%0.663SS**Hα-helixtrans-82.7-28.1-179.4-136.9-66.7000113.2Q202 S209Q202-H205 PolarHBondContact O-N 3.5Å; H205-S209 PolarHBondContact O-N 2.97Å
206H36.6Very low35.9Very low119 Ų119130.6 Ų130.655%0.55167%0.671SS**Hα-helixtrans-81.5-27.2177.8-153.8-56000113.1N208 S209 E210H206-N208 VanDerWaalsContact C-N 3.33Å; H206-S209 PolarHBondContact O-OG 2.85Å; H206-E210 IonicContact CE1-OE1 3.77Å; H206-E210 IonicContact ND1-OE1 3.25Å
207Q34.6Very low36.1Very low123 Ų123125 Ų12558%0.57566%0.659SS**Hα-helixtrans-76.6-20171.1-85.1-177-25.600113.2N211Q207-N211 PolarHBondContact O-ND2 3.25Å
208N34.8Very low36Very low103 Ų103126.5 Ų126.555%0.55165%0.645SS**Hα-helixtrans-84.7-31175-79.3-15.8000112.9L204 H206 N211 E212L204-N208 PolarHBondContact O-ND2 2.86Å; H206-N208 VanDerWaalsContact C-N 3.33Å; N208-N211 PolarHBondContact O-N 3.08Å; N208-E212 PolarHBondContact O-N 3.34Å
209S31.8Very low36.1Very low64 Ų64126.3 Ų126.345%0.44865%0.649SS.*Hα-helixtrans-74-28.4176.667.80000113.6H205 H206H205-S209 PolarHBondContact O-N 2.97Å; H206-S209 PolarHBondContact O-OG 2.85Å
210E33.9Very low36Very low126 Ų126129.2 Ų129.259%0.58966%0.655SS**Hα-helixtrans-79.4-21.5174.9-69.5-173.8171.600113.2H206H206-E210 IonicContact CE1-OE1 3.77Å; H206-E210 IonicContact ND1-OE1 3.25Å
211N34.3Very low35.4Very low107 Ų107125 Ų12557%0.57264%0.638SS**Hα-helixtrans-87.7-19.9176.4-78.5-40.1000113.3Q207 N208 A213 R214Q207-N211 PolarHBondContact O-ND2 3.25Å; N208-N211 PolarHBondContact O-N 3.08Å; N211-A213 VanDerWaalsContact C-N 3.35Å; N211-R214 PolarHBondContact O-N 3.36Å
212E30.4Very low35Very low160 Ų160127.7 Ų127.775%0.74865%0.647SS**Hα-helixtrans-74.7-20.7173.6-81.5-177.3153.600113.6N208 R214N208-E212 PolarHBondContact O-N 3.34Å; E212-R214 VanDerWaalsContact C-N 3.31Å; E212-R214 PolarHBondContact O-N 2.83Å
213A32.3Very low34.6Very low94 Ų94124.5 Ų124.578%0.77764%0.638SS**THydrogen-bonded Turntrans-82.1-4.9173.600000114.1N211N211-A213 VanDerWaalsContact C-N 3.35Å
214R37.8Very low34.2Very low233 Ų233123.3 Ų123.388%0.87965%0.65SS**SBendtrans-120.54.4-179.8-94.8178.4164.5172.6-2.4115N211 E212 S216N211-R214 PolarHBondContact O-N 3.36Å; E212-R214 VanDerWaalsContact C-N 3.31Å; E212-R214 PolarHBondContact O-N 2.83Å; R214-S216 PolarHBondContact O-N 3.11Å
215S32.3Very low34Very low83 Ų83124.1 Ų124.158%0.5866%0.655SS**  trans-98.977.6173.5-1560000110.6T217S215-T217 PolarHBondContact O-N 2.71Å; S215-T217 VanDerWaalsContact O-N 3.09Å
216S32.3Very low34Very low120 Ų120122.3 Ų122.384%0.83966%0.656SS**  trans-68.2103.3157.2171.90000107R214 H218R214-S216 PolarHBondContact O-N 3.11Å; S216-H218 PolarHBondContact O-N 3.2Å
217T31.3Very low33.9Very low93 Ų93123.4 Ų123.457%0.57167%0.666SS**  trans-55.8116.6-177.843.30000112.1S215S215-T217 PolarHBondContact O-N 2.71Å; S215-T217 VanDerWaalsContact O-N 3.09Å
218H30.6Very low34.2Very low108 Ų108122.9 Ų122.950%0.568%0.675SS.*  trans-98.674.4161.5-169.7-92.2000108.5S216 H220 H238S216-H218 PolarHBondContact O-N 3.2Å; H218-H220 PolarHBondContact O-N 2.71Å; H218-H238 AromaticContact CE1-CD2 3.58Å; H218-H238 AromaticContact CE1-CE1 3.87Å; H218-H238 AromaticContact CE1-CG 3.71Å; H218-H238 AromaticContact CE1-ND1 3.88Å; H218-H238 AromaticContact CE1-NE2 3.71Å; H218-H238 AromaticContact NE2-CD2 3.95Å; H218-H238 AromaticContact NE2-CG 3.77Å
219N40.4Very low34.7Very low139 Ų139124.1 Ų124.174%0.74369%0.687SS**THydrogen-bonded Turntrans-72.532.3-173.9-77.2-22.7000114.9
220H37.6Very low35.1Very low162 Ų162124.6 Ų124.675%0.7569%0.69SS**THydrogen-bonded Turntrans-121.5-5.1178-152.7-52.1000114.7H218H218-H220 PolarHBondContact O-N 2.71Å
221C31.9Very low35.4Very low57 Ų57126 Ų12639%0.38570%0.695SS.*  trans-137.8103.8174.2-87.50000111.2T223C221-T223 PolarHBondContact O-N 2.74Å
222F34.2Very low35.7Very low212 Ų212130.1 Ų130.193%0.9371%0.707SS**  trans-72.876.2163.5-84.9-88000109.6
223T33Very low36.5Very low87 Ų87126.9 Ų126.953%0.53470%0.7SS.*  trans-134.193.9161.648.10000108.2C221 L225C221-T223 PolarHBondContact O-N 2.74Å; T223-L225 PolarHBondContact O-N 3.36Å; T223-L225 VanDerWaalsContact O-N 3.16Å
224T31.9Very low36.9Very low147 Ų147125.7 Ų125.790%0.90268%0.678SS**  trans-68.7101.8165.920.50000108.3
225L34.6Very low37Very low123 Ų123122.7 Ų122.764%0.64467%0.672SS**  trans-89.8120.3169.4-71171.7000108.6T223T223-L225 PolarHBondContact O-N 3.36Å; T223-L225 VanDerWaalsContact O-N 3.16Å
226P37.3Very low37.7Very low108 Ų108126 Ų12670%0.70168%0.677SS**  trans-74.8135.5169.629.8-28.1000108.8
227N35.7Very low38.4Very low142 Ų142124.5 Ų124.576%0.75967%0.667SS**SBendtrans97122171.9-53.1-22.7000116.9V229N227-V229 PolarHBondContact O-N 2.82Å
228S40.8Very low39Very low112 Ų112123.9 Ų123.978%0.78366%0.658SS**THydrogen-bonded Turntrans-70.622.4-167.947.80000116.4
229V43.4Very low39.4Very low130 Ų130127.1 Ų127.179%0.78867%0.671SS**THydrogen-bonded Turntrans-103.8-10.6-173.8-171.60000113.9N227N227-V229 PolarHBondContact O-N 2.82Å
230S40.3Very low39.7Very low73 Ų73123.4 Ų123.451%0.5167%0.665SS.*  trans-121.220.3-172.6-68.80000116.3K232 P233S230-K232 PolarHBondContact O-N 3.2Å; S230-P233 WeakPolarHBondContact O-CD 3.49Å
231F41.9Very low39.9Very low157 Ų157123 Ų12369%0.68967%0.674SS**Hα-helixtrans-69.9-28.7178.2-97.4-89.7000114.2
232K40.7Very low40.5Very low193 Ų193123.6 Ų123.684%0.83969%0.69SS**Hα-helixtrans-66.8-44.8-177.8-70.5-176.1-179.8177.50114.2S230S230-K232 PolarHBondContact O-N 3.2Å
233P45.7Very low41.2Very low91 Ų91123 Ų12359%0.59169%0.69SS**Hα-helixtrans-76.5-24.6178.426.3-33.2000114.4S230S230-P233 WeakPolarHBondContact O-CD 3.49Å
234H41.9Very low41.9Very low69 Ų69122.3 Ų122.332%0.31970%0.701SS.*Hα-helixtrans-72.9-38.7-177.8-176.768.8000112.7Q236 S237 H238H234-Q236 PolarHBondContact O-N 3.47Å; H234-S237 VanDerWaalsContact O-CB 3.31Å; H234-S237 WeakPolarHBondContact O-CB 3.33Å; H234-S237 PolarHBondContact O-N 2.8Å; H234-H238 AromaticContact CE1-NE2 3.9Å; H234-H238 AromaticContact NE2-NE2 3.98Å
235K39.7Very low42.6Very low171 Ų171119.3 Ų119.374%0.74369%0.685SS**Hα-helixtrans-65.1-22.6178.4-153.7174.3-173.9177.40113.1S237K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.12Å
236Q47.5Very low43.6Very low151 Ų151116.7 Ų116.771%0.70668%0.677SS**THydrogen-bonded Turntrans-75.3-16.5175.3-153.975.413.400112.8H234H234-Q236 PolarHBondContact O-N 3.47Å
237S45.5Very low45.2Very low90 Ų90115.9 Ų115.963%0.62966%0.661SS**THydrogen-bonded Turntrans-82-18.3-176.6-169.40000114H234 K235H234-S237 VanDerWaalsContact O-CB 3.31Å; H234-S237 WeakPolarHBondContact O-CB 3.33Å; H234-S237 PolarHBondContact O-N 2.8Å; K235-S237 VanDerWaalsContact C-N 3.28Å; K235-S237 PolarHBondContact O-N 3.12Å
238H45.2Very low46.9Very low80 Ų80113 Ų11337%0.3765%0.645SS.*SBendtrans-103.51.9-176-72.9-73.6000114.4H218 H234 G240H218-H238 AromaticContact CE1-CD2 3.58Å; H218-H238 AromaticContact CE1-CE1 3.87Å; H218-H238 AromaticContact CE1-CG 3.71Å; H218-H238 AromaticContact CE1-ND1 3.88Å; H218-H238 AromaticContact CE1-NE2 3.71Å; H218-H238 AromaticContact NE2-CD2 3.95Å; H218-H238 AromaticContact NE2-CG 3.77Å; H234-H238 AromaticContact CE1-NE2 3.9Å; H234-H238 AromaticContact NE2-NE2 3.98Å; H238-G240 PolarHBondContact O-N 2.83Å
239K38.1Very low48.5Very low176 Ų176107.7 Ų107.777%0.76561%0.608SS**  trans-87.287.6169.7-72.2-170.2175.9-171.20109.6
240G46.8Very low50Low61 Ų61108.9 Ų108.963%0.62961%0.61SS**  trans-75.1140.4162.600000110.8H238H238-G240 PolarHBondContact O-N 2.83Å
241T41Very low51.4Low152 Ų152111.4 Ų111.493%0.93361%0.613SS**SBendtrans92.9123.4169.374.40000117.7
242G44.3Very low52.8Low71 Ų71106.5 Ų106.573%0.73260%0.598SS**SBendtrans104.589.8162.500000115.9
243Q49.3Very low54.1Low199 Ų19999.7 Ų99.793%0.9358%0.583SS**  trans60.561.1164.3-60.5-178.6-22.800116.4S245Q243-S245 PolarHBondContact O-N 3.42Å
244G48.1Very low55Low73 Ų73101.2 Ų101.275%0.75358%0.58SS**  trans-79.1110.2166.200000110.2S246G244-S246 PolarHBondContact O-N 3.29Å
245S47.6Very low56.2Low83 Ų83102 Ų10258%0.5859%0.59SS**  trans-44.9106.3173.758.30000110.2Q243 Y247Q243-S245 PolarHBondContact O-N 3.42Å; S245-Y247 WeakPolarHBondContact O-CD2 3.43Å; S245-Y247 WeakPolarHBondContact O-CE2 3.39Å
246S54.1Low57.7Low68 Ų6895.9 Ų95.948%0.47656%0.563SS.*  trans-84.3128.8-179.7690000108G244 I248 T255G244-S246 PolarHBondContact O-N 3.29Å; S246-I248 PolarHBondContact O-N 3.05Å; S246-T255 VanDerWaalsContact CB-CG2 3.45Å
247Y71.2Confident58.9Low92 Ų9294.4 Ų94.436%0.36157%0.565SS.*EExtended strand (participates in β ladder)trans-90.2106-175.2-68-85.8000108.3S245 T255 F256 A259 L262S245-Y247 WeakPolarHBondContact O-CD2 3.43Å; S245-Y247 WeakPolarHBondContact O-CE2 3.39Å; Y247-T255 CarbonylContact O-C 3.55Å; Y247-F256 PolarHBondContact N-O 3.31Å; Y247-F256 WeakPolarHBondContact O-CD2 3.49Å; Y247-F256 PolarHBondContact O-N 3.23Å; Y247-A259 HydrophobicContact CD1-CB 3.86Å; Y247-A259 HydrophobicContact CD2-CB 4.28Å; Y247-A259 HydrophobicContact CE1-CB 3.53Å; Y247-A259 HydrophobicContact CE2-CB 4Å; Y247-A259 HydrophobicContact CG-CB 4.21Å; Y247-L262 HydrophobicContact CD1-CD2 4.49Å
248I71.7Confident60.2Low81 Ų8195.1 Ų95.142%0.41556%0.558SS.*EExtended strand (participates in β ladder)trans-94.6134.8-176.5-55.3173.4000109.6S246 N250 K254 T255S246-I248 PolarHBondContact O-N 3.05Å; I248-N250 PolarHBondContact O-N 2.78Å; I248-K254 CarbonylContact C-O 3.57Å; I248-K254 WeakPolarHBondContact CA-O 3.43Å; I248-T255 HydrophobicContact CG1-CG2 4.34Å
249C74.9Confident61.4Low1 Ų193 Ų931%0.00755%0.554CS.*  trans-78.8112.2169.7-176.30000110.2Q251 C252 G253 K254 F256 L262 H269C249-Q251 PolarHBondContact O-N 2.89Å; C249-C252 PolarHBondContact O-N 3.09Å; C249-C252 VanDerWaalsContact SG-SG 3.64Å; C249-G253 WeakPolarHBondContact O-CA 3.34Å; C249-G253 PolarHBondContact O-N 3.36Å; C249-K254 PolarHBondContact N-O 3.4Å; C249-F256 HydrophobicContact CB-CE2 4.27Å; C249-L262 HydrophobicContact CB-CD1 3.58Å; C249-H269 VanDerWaalsContact SG-CD2 3.53Å; C249-H269 PolarHBondContact SG-NE2 2.91Å
250N73.5Confident62.8Low154 Ų15487.7 Ų87.782%0.82454%0.539SS*.THydrogen-bonded Turntrans-61.3-16.3-179.7-61.8-19.7000114.3I248I248-N250 PolarHBondContact O-N 2.78Å
251Q69.9Low63.8Low126 Ų12688.1 Ų88.159%0.58953%0.527SS*.THydrogen-bonded Turntrans-93.8-23.9-179.7-59.5-168.524.800114C249 H269C249-Q251 PolarHBondContact O-N 2.89Å; Q251-H269 VanDerWaalsContact OE1-CG 3.25Å
252C72.6Confident65.2Low54 Ų5481.7 Ų81.737%0.36549%0.486SS..THydrogen-bonded Turntrans-138.24.7-176.472.90000114.7C249 K254 H265C249-C252 PolarHBondContact O-N 3.09Å; C249-C252 VanDerWaalsContact SG-SG 3.64Å; C252-K254 PolarHBondContact O-N 3.09Å; C252-K254 VanDerWaalsContact O-N 3.07Å; C252-K254 VanDerWaalsContact SG-CG 3.56Å; C252-H265 PolarHBondContact SG-NE2 2.8Å
253G67.1Low66.3Low51 Ų5185.4 Ų85.453%0.52648%0.482SS..  trans67.82.3179.100000115.2C249 T255C249-G253 WeakPolarHBondContact O-CA 3.34Å; C249-G253 PolarHBondContact O-N 3.36Å; G253-T255 PolarHBondContact O-N 3.37Å
254K65.8Low67.1Low122 Ų12278.1 Ų78.153%0.5345%0.451SS..  trans-67.6131.6-178.3-72.7-179.9-176.8178.30110.9I248 C249 C252 F256I248-K254 CarbonylContact C-O 3.57Å; I248-K254 WeakPolarHBondContact CA-O 3.43Å; C249-K254 PolarHBondContact N-O 3.4Å; C252-K254 PolarHBondContact O-N 3.09Å; C252-K254 VanDerWaalsContact O-N 3.07Å; C252-K254 VanDerWaalsContact SG-CG 3.56Å; K254-F256 HydrophobicContact CB-CE2 3.63Å; K254-F256 HydrophobicContact CB-CZ 3.82Å; K254-F256 WeakPolarHBondContact O-CD2 3.48Å; K254-F256 VanDerWaalsContact O-CE2 3.32Å; K254-F256 WeakPolarHBondContact O-CE2 3.46Å
255T65.3Low68.1Low85 Ų8575.3 Ų75.352%0.52142%0.419SS..EExtended strand (participates in β ladder)trans-100.3133.6-177.8-57.20000110.4S246 Y247 I248 G253S246-T255 VanDerWaalsContact CB-CG2 3.45Å; Y247-T255 CarbonylContact O-C 3.55Å; I248-T255 HydrophobicContact CG1-CG2 4.34Å; G253-T255 PolarHBondContact O-N 3.37Å
256F72.1Confident69.1Low43 Ų4374.8 Ų74.819%0.18941%0.407CS..EExtended strand (participates in β ladder)trans-122.4142.2-179-60.3-89.1000110.3Y247 C249 K254 Q258 N261 L262 H265Y247-F256 PolarHBondContact N-O 3.31Å; Y247-F256 WeakPolarHBondContact O-CD2 3.49Å; Y247-F256 PolarHBondContact O-N 3.23Å; C249-F256 HydrophobicContact CB-CE2 4.27Å; K254-F256 HydrophobicContact CB-CE2 3.63Å; K254-F256 HydrophobicContact CB-CZ 3.82Å; K254-F256 WeakPolarHBondContact O-CD2 3.48Å; K254-F256 VanDerWaalsContact O-CE2 3.32Å; K254-F256 WeakPolarHBondContact O-CE2 3.46Å; F256-Q258 VanDerWaalsContact C-N 3.26Å; F256-Q258 PolarHBondContact O-N 3.48Å; F256-N261 HydrophobicContact CB-CB 4.31Å; F256-N261 HydrophobicContact CD1-CB 3.9Å; F256-N261 HydrophobicContact CG-CB 4.41Å; F256-L262 HydrophobicContact CB-CB 4.23Å; F256-L262 HydrophobicContact CD2-CB 3.9Å; F256-L262 HydrophobicContact CD2-CD1 3.67Å; F256-L262 HydrophobicContact CD2-CG 4.38Å; F256-L262 HydrophobicContact CE2-CD1 3.82Å; F256-L262 HydrophobicContact CG-CB 4.18Å; F256-H265 HydrophobicContact CE1-CB 3.87Å; F256-H265 HydrophobicContact CE2-CB 3.93Å; F256-H265 AromaticContact CE2-CD2 3.5Å; F256-H265 AromaticContact CE2-CG 3.66Å; F256-H265 HydrophobicContact CZ-CB 3.41Å; F256-H265 VanDerWaalsContact CZ-CB 3.41Å; F256-H265 AromaticContact CZ-CD2 3.5Å; F256-H265 AromaticContact CZ-CG 3.18Å; F256-H265 AromaticContact CZ-ND1 3.66Å
257T73Confident69.9Low121 Ų12175.1 Ų75.174%0.74240%0.398SS*.SBendtrans-75.3-17.317751.90000112.9
258Q72.9Confident69.6Low105 Ų10574.5 Ų74.549%0.49140%0.4SS..SBendtrans-137.8139-177.2-57.8179.517.800110.9F256 C260 N261 L262F256-Q258 VanDerWaalsContact C-N 3.26Å; F256-Q258 PolarHBondContact O-N 3.48Å; Q258-C260 VanDerWaalsContact C-N 3.27Å; Q258-C260 PolarHBondContact O-N 3.12Å; Q258-C260 PolarHBondContact OE1-SG 3.06Å; Q258-C260 VanDerWaalsContact OE1-SG 3.37Å; Q258-N261 WeakPolarHBondContact O-CB 3.42Å; Q258-N261 PolarHBondContact O-N 3.43Å; Q258-N261 VanDerWaalsContact O-N 3.12Å; Q258-L262 PolarHBondContact O-N 3.39Å
259A69.8Low69.4Low34 Ų3473.7 Ų73.728%0.28139%0.394SS..Hα-helixtrans-59.5-36.117900000112.9Y247 N261 L262 K263Y247-A259 HydrophobicContact CD1-CB 3.86Å; Y247-A259 HydrophobicContact CD2-CB 4.28Å; Y247-A259 HydrophobicContact CE1-CB 3.53Å; Y247-A259 HydrophobicContact CE2-CB 4Å; Y247-A259 HydrophobicContact CG-CB 4.21Å; A259-N261 VanDerWaalsContact C-N 3.3Å; A259-N261 PolarHBondContact O-N 3.07Å; A259-L262 PolarHBondContact O-N 3.32Å; A259-K263 WeakPolarHBondContact O-CG 3.16Å; A259-K263 PolarHBondContact O-N 2.76Å
260C68Low68.9Low65 Ų6578.8 Ų78.844%0.43942%0.421SS..Hα-helixtrans-61.6-38.8177.458.40000111.7Q258 K263 V264Q258-C260 VanDerWaalsContact C-N 3.27Å; Q258-C260 PolarHBondContact O-N 3.12Å; Q258-C260 PolarHBondContact OE1-SG 3.06Å; Q258-C260 VanDerWaalsContact OE1-SG 3.37Å; C260-K263 PolarHBondContact O-N 2.82Å; C260-V264 WeakPolarHBondContact O-CB 3.46Å; C260-V264 VanDerWaalsContact O-CG2 3.27Å; C260-V264 WeakPolarHBondContact O-CG2 3.28Å; C260-V264 PolarHBondContact O-N 3.19Å
261N67.8Low68.3Low70 Ų7074 Ų7437%0.37441%0.408SS..Hα-helixtrans-69.1-37.6177.5-67-24.4000111.6F256 Q258 A259 V264 H265F256-N261 HydrophobicContact CB-CB 4.31Å; F256-N261 HydrophobicContact CD1-CB 3.9Å; F256-N261 HydrophobicContact CG-CB 4.41Å; Q258-N261 WeakPolarHBondContact O-CB 3.42Å; Q258-N261 PolarHBondContact O-N 3.43Å; Q258-N261 VanDerWaalsContact O-N 3.12Å; A259-N261 VanDerWaalsContact C-N 3.3Å; A259-N261 PolarHBondContact O-N 3.07Å; N261-V264 PolarHBondContact O-N 3.34Å; N261-H265 VanDerWaalsContact O-CB 3.26Å; N261-H265 WeakPolarHBondContact O-CB 3.37Å; N261-H265 PolarHBondContact O-N 3.44Å
262L69.4Low67.5Low17 Ų1774.5 Ų74.59%0.08941%0.411CS..Hα-helixtrans-63.7-46172.3175.262.8000111.4Y247 C249 F256 Q258 A259 V264 H265 Q266Y247-L262 HydrophobicContact CD1-CD2 4.49Å; C249-L262 HydrophobicContact CB-CD1 3.58Å; F256-L262 HydrophobicContact CB-CB 4.23Å; F256-L262 HydrophobicContact CD2-CB 3.9Å; F256-L262 HydrophobicContact CD2-CD1 3.67Å; F256-L262 HydrophobicContact CD2-CG 4.38Å; F256-L262 HydrophobicContact CE2-CD1 3.82Å; F256-L262 HydrophobicContact CG-CB 4.18Å; Q258-L262 PolarHBondContact O-N 3.39Å; A259-L262 PolarHBondContact O-N 3.32Å; L262-V264 VanDerWaalsContact C-N 3.33Å; L262-V264 PolarHBondContact O-N 3.44Å; L262-H265 CarbonylContact O-C 3.51Å; L262-H265 WeakPolarHBondContact O-CA 3.39Å; L262-H265 WeakPolarHBondContact O-CB 3.32Å; L262-H265 PolarHBondContact O-N 2.87Å; L262-H265 VanDerWaalsContact O-N 3.11Å; L262-Q266 HydrophobicContact CD1-CG 4.14Å; L262-Q266 HydrophobicContact CG-CG 4.36Å; L262-Q266 VanDerWaalsContact O-CG 3.32Å; L262-Q266 WeakPolarHBondContact O-CG 3.39Å; L262-Q266 PolarHBondContact O-N 3.49Å
263K69.4Low66.7Low149 Ų14974.4 Ų74.465%0.64842%0.418SS*.Hα-helixtrans-59.5-43.7177-73.3-179.1180-175.80111.9A259 C260 H265 Q266A259-K263 WeakPolarHBondContact O-CG 3.16Å; A259-K263 PolarHBondContact O-N 2.76Å; C260-K263 PolarHBondContact O-N 2.82Å; K263-H265 VanDerWaalsContact C-N 3.31Å; K263-H265 PolarHBondContact O-N 3.41Å; K263-Q266 PolarHBondContact O-N 3.28Å
264V65.9Low66.6Low46 Ų4673.9 Ų73.928%0.27940%0.403SS..Hα-helixtrans-63.6-39.1174.9169.30000111.3C260 N261 L262 R267 P285C260-V264 WeakPolarHBondContact O-CB 3.46Å; C260-V264 VanDerWaalsContact O-CG2 3.27Å; C260-V264 WeakPolarHBondContact O-CG2 3.28Å; C260-V264 PolarHBondContact O-N 3.19Å; N261-V264 PolarHBondContact O-N 3.34Å; L262-V264 VanDerWaalsContact C-N 3.33Å; L262-V264 PolarHBondContact O-N 3.44Å; V264-R267 WeakPolarHBondContact O-CB 3.32Å; V264-R267 PolarHBondContact O-N 2.9Å; V264-P285 HydrophobicContact CG1-CB 3.91Å; V264-P285 WeakPolarHBondContact CG1-O 3.33Å
265H68.9Low66.5Low15 Ų1571.2 Ų71.27%0.06939%0.393CS..Hα-helixtrans-67.3-38.3176.4172.269.1000113C252 F256 N261 L262 K263 R267 I268 H269C252-H265 PolarHBondContact SG-NE2 2.8Å; F256-H265 HydrophobicContact CE1-CB 3.87Å; F256-H265 HydrophobicContact CE2-CB 3.93Å; F256-H265 AromaticContact CE2-CD2 3.5Å; F256-H265 AromaticContact CE2-CG 3.66Å; F256-H265 HydrophobicContact CZ-CB 3.41Å; F256-H265 VanDerWaalsContact CZ-CB 3.41Å; F256-H265 AromaticContact CZ-CD2 3.5Å; F256-H265 AromaticContact CZ-CG 3.18Å; F256-H265 AromaticContact CZ-ND1 3.66Å; N261-H265 VanDerWaalsContact O-CB 3.26Å; N261-H265 WeakPolarHBondContact O-CB 3.37Å; N261-H265 PolarHBondContact O-N 3.44Å; L262-H265 CarbonylContact O-C 3.51Å; L262-H265 WeakPolarHBondContact O-CA 3.39Å; L262-H265 WeakPolarHBondContact O-CB 3.32Å; L262-H265 PolarHBondContact O-N 2.87Å; L262-H265 VanDerWaalsContact O-N 3.11Å; K263-H265 VanDerWaalsContact C-N 3.31Å; K263-H265 PolarHBondContact O-N 3.41Å; H265-R267 PolarHBondContact O-N 3.48Å; H265-I268 VanDerWaalsContact O-CB 3.26Å; H265-I268 WeakPolarHBondContact O-CB 3.38Å; H265-I268 WeakPolarHBondContact O-CG1 3.48Å; H265-I268 PolarHBondContact O-N 3.42Å; H265-H269 AromaticContact CD2-NE2 3.99Å; H265-H269 AromaticContact CE1-NE2 3.88Å; H265-H269 AromaticContact NE2-CD2 4Å; H265-H269 AromaticContact NE2-NE2 3.2Å; H265-H269 PolarHBondContact NE2-NE2 3.02Å
266Q68.9Low66.2Low71 Ų7172.6 Ų72.633%0.33240%0.396SS..Hα-helixtrans-60.9-26.2178.5-75.9169.3-27.300113L262 K263 I268 H269 L270L262-Q266 HydrophobicContact CD1-CG 4.14Å; L262-Q266 HydrophobicContact CG-CG 4.36Å; L262-Q266 VanDerWaalsContact O-CG 3.32Å; L262-Q266 WeakPolarHBondContact O-CG 3.39Å; L262-Q266 PolarHBondContact O-N 3.49Å; K263-Q266 PolarHBondContact O-N 3.28Å; Q266-I268 PolarHBondContact O-N 3.48Å; Q266-H269 PolarHBondContact O-N 3.16Å; Q266-H269 VanDerWaalsContact O-N 3.1Å; Q266-L270 PolarHBondContact O-N 3.5Å
267R69.8Low65.7Low75 Ų7570.6 Ų70.628%0.28339%0.388SS..Hα-helixtrans-58.5-26.7171.9-68.7-166.4-73-178.9-14.8113.8V264 H265 H269 G271 Q272 G273 L274 P285V264-R267 WeakPolarHBondContact O-CB 3.32Å; V264-R267 PolarHBondContact O-N 2.9Å; H265-R267 PolarHBondContact O-N 3.48Å; R267-H269 VanDerWaalsContact C-N 3.34Å; R267-G271 PolarHBondContact O-N 2.89Å; R267-G271 VanDerWaalsContact O-N 3.1Å; R267-Q272 VanDerWaalsContact CB-O 3.24Å; R267-Q272 WeakPolarHBondContact CB-O 3.33Å; R267-Q272 WeakPolarHBondContact CG-O 3.38Å; R267-Q272 PolarHBondContact O-N 3.31Å; R267-G273 PolarHBondContact NH1-O 2.85Å; R267-L274 HydrophobicContact CB-CD2 4.27Å; R267-P285 PolarHBondContact NH2-O 3.48Å
268I64.6Low64.8Low79 Ų7970.2 Ų70.241%0.40539%0.39SS..Hα-helixtrans-67.5-39.2177.5-56.7174.6000110.5H265 Q266 L274 P285H265-I268 VanDerWaalsContact O-CB 3.26Å; H265-I268 WeakPolarHBondContact O-CB 3.38Å; H265-I268 WeakPolarHBondContact O-CG1 3.48Å; H265-I268 PolarHBondContact O-N 3.42Å; Q266-I268 PolarHBondContact O-N 3.48Å; I268-L274 HydrophobicContact CG1-CD2 4.26Å; I268-P285 HydrophobicContact CD1-CB 4.05Å; I268-P285 HydrophobicContact CD1-CG 3.94Å; I268-P285 HydrophobicContact CG1-CB 3.86Å; I268-P285 HydrophobicContact CG1-CG 4.21Å
269H67.2Low63.8Low65 Ų6572.7 Ų72.730%0.30140%0.401SS..Hα-helixtrans-76.6-37.1-178.7-63.4-51.4000113C249 Q251 H265 Q266 R267 G271C249-H269 VanDerWaalsContact SG-CD2 3.53Å; C249-H269 PolarHBondContact SG-NE2 2.91Å; Q251-H269 VanDerWaalsContact OE1-CG 3.25Å; H265-H269 AromaticContact CD2-NE2 3.99Å; H265-H269 AromaticContact CE1-NE2 3.88Å; H265-H269 AromaticContact NE2-CD2 4Å; H265-H269 AromaticContact NE2-NE2 3.2Å; H265-H269 PolarHBondContact NE2-NE2 3.02Å; Q266-H269 PolarHBondContact O-N 3.16Å; Q266-H269 VanDerWaalsContact O-N 3.1Å; R267-H269 VanDerWaalsContact C-N 3.34Å; H269-G271 VanDerWaalsContact C-N 3.28Å
270L65.5Low63.5Low107 Ų10773.5 Ų73.556%0.5640%0.404SS*.Hα-helixtrans-81.9-9.7-179.4-63.3171.4000112.5Q266 Q272Q266-L270 PolarHBondContact O-N 3.5Å; L270-Q272 HydrophobicContact CB-CB 4.3Å; L270-Q272 HydrophobicContact CB-CG 4.43Å; L270-Q272 WeakPolarHBondContact O-CG 3.44Å; L270-Q272 PolarHBondContact O-N 3.22Å
271G59.7Low62.9Low54 Ų5472.9 Ų72.956%0.55741%0.409SS*.  trans62.62.7-17300000114.4R267 H269R267-G271 PolarHBondContact O-N 2.89Å; R267-G271 VanDerWaalsContact O-N 3.1Å; H269-G271 VanDerWaalsContact C-N 3.28Å
272Q53.9Low62.6Low137 Ų13772.6 Ų72.664%0.6440%0.404SS*.  trans-93.3131.6-173.8-73.7178-12.300111.1R267 L270 L274R267-Q272 VanDerWaalsContact CB-O 3.24Å; R267-Q272 WeakPolarHBondContact CB-O 3.33Å; R267-Q272 WeakPolarHBondContact CG-O 3.38Å; R267-Q272 PolarHBondContact O-N 3.31Å; L270-Q272 HydrophobicContact CB-CB 4.3Å; L270-Q272 HydrophobicContact CB-CG 4.43Å; L270-Q272 WeakPolarHBondContact O-CG 3.44Å; L270-Q272 PolarHBondContact O-N 3.22Å; Q272-L274 PolarHBondContact O-N 3.09Å
273G55.7Low62.1Low51 Ų5173.3 Ų73.353%0.52642%0.416SS..SBendtrans69.728.8171.700000114.8R267R267-G273 PolarHBondContact NH1-O 2.85Å
274L64.4Low61.9Low40 Ų4068 Ų6821%0.20939%0.393CS..  trans-77.7137.4166.4-61.9179.2000109.7R267 I268 Q272 L276 F284 P285R267-L274 HydrophobicContact CB-CD2 4.27Å; I268-L274 HydrophobicContact CG1-CD2 4.26Å; Q272-L274 PolarHBondContact O-N 3.09Å; L274-L276 PolarHBondContact O-N 3.47Å; L274-L276 VanDerWaalsContact O-N 3.16Å; L274-F284 CarbonylContact C-O 3.27Å; L274-F284 WeakPolarHBondContact CA-O 3.41Å; L274-P285 HydrophobicContact CD2-CB 4.22Å
275H64.5Low61.8Low67 Ų6767 Ų6731%0.3139%0.388SS..EExtended strand (participates in β ladder)trans-74.7105.1170-63.4-83.4000108.4F284 S286 F287 L290H275-F284 PolarHBondContact N-O 3.48Å; H275-F284 PolarHBondContact O-N 3.27Å; H275-S286 VanDerWaalsContact CD2-C 3.44Å; H275-F287 PolarHBondContact CD2-N 3.45Å; H275-F287 VanDerWaalsContact CD2-N 3.28Å; H275-L290 HydrophobicContact CB-CB 3.97Å; H275-L290 HydrophobicContact CB-CD2 3.6Å; H275-L290 HydrophobicContact CB-CG 4.35Å
276L58.8Low61.7Low113 Ų11367.8 Ų67.859%0.59240%0.395SS*.EExtended strand (participates in β ladder)trans-77.9139.5-177.9-61.3172.6000111L274 S278 L290L274-L276 PolarHBondContact O-N 3.47Å; L274-L276 VanDerWaalsContact O-N 3.16Å; L276-S278 PolarHBondContact O-N 2.9Å; L276-L290 WeakPolarHBondContact O-CD2 3.42Å
277C60.8Low61.6Low2 Ų270.4 Ų70.41%0.01441%0.405CS..  trans-77.9117.7165.7-178.10000109.9H279 C280 G281 K282 F284 L290 Q297C277-H279 PolarHBondContact O-N 3.43Å; C277-H279 VanDerWaalsContact O-N 3.15Å; C277-C280 PolarHBondContact O-N 3.27Å; C277-G281 VanDerWaalsContact O-CA 3.32Å; C277-G281 WeakPolarHBondContact O-CA 3.46Å; C277-G281 PolarHBondContact O-N 3.46Å; C277-K282 PolarHBondContact N-O 2.87Å; C277-F284 HydrophobicContact CB-CE2 4.4Å; C277-L290 HydrophobicContact CB-CD1 3.71Å; C277-Q297 PolarHBondContact SG-OE1 2.81Å
278S55.8Low61.4Low113 Ų11369.9 Ų69.979%0.7942%0.416SS*.THydrogen-bonded Turntrans-59-24.8177.6490000113.8L276L276-S278 PolarHBondContact O-N 2.9Å
279H52Low61.5Low157 Ų15770 Ų7073%0.72742%0.418SS*.THydrogen-bonded Turntrans-91.8-27.7-176.7-169.162000114.3C277C277-H279 PolarHBondContact O-N 3.43Å; C277-H279 VanDerWaalsContact O-N 3.15Å
280C62Low61.5Low50 Ų5067.2 Ų67.234%0.33841%0.406SS..THydrogen-bonded Turntrans-131.63.9-17773.60000115.1C277 K282 H293 Q297C277-C280 PolarHBondContact O-N 3.27Å; C280-K282 PolarHBondContact O-N 3.22Å; C280-H293 PolarHBondContact SG-NE2 3.24Å; C280-Q297 PolarHBondContact SG-NE2 2.96Å
281G56.2Low61.6Low53 Ų5369.1 Ų69.155%0.54641%0.409SS..  trans69-3.3178.300000115.8C277 G283C277-G281 VanDerWaalsContact O-CA 3.32Å; C277-G281 WeakPolarHBondContact O-CA 3.46Å; C277-G281 PolarHBondContact O-N 3.46Å; G281-G283 PolarHBondContact O-N 3.39Å
282K61.8Low61.8Low63 Ų6368.6 Ų68.627%0.27440%0.395SS..  trans-68.1129.9-178.8-69-177.4-178.1-179.40111.4C277 C280 F284C277-K282 PolarHBondContact N-O 2.87Å; C280-K282 PolarHBondContact O-N 3.22Å; K282-F284 HydrophobicContact CB-CE2 3.84Å; K282-F284 HydrophobicContact CB-CZ 4.09Å; K282-F284 WeakPolarHBondContact O-CD2 3.31Å; K282-F284 WeakPolarHBondContact O-CE2 3.46Å
283G58.2Low62.5Low32 Ų3263.4 Ų63.433%0.3337%0.371SS..EExtended strand (participates in β ladder)trans-92.4133178.200000113.5G281G281-G283 PolarHBondContact O-N 3.39Å
284F65.9Low62.9Low37 Ų3764.8 Ų64.816%0.16236%0.362CS..EExtended strand (participates in β ladder)trans-117.1138.3178.6-63.2-88.6000111.3L274 H275 C277 K282 S286 N289 L290 H293L274-F284 CarbonylContact C-O 3.27Å; L274-F284 WeakPolarHBondContact CA-O 3.41Å; H275-F284 PolarHBondContact N-O 3.48Å; H275-F284 PolarHBondContact O-N 3.27Å; C277-F284 HydrophobicContact CB-CE2 4.4Å; K282-F284 HydrophobicContact CB-CE2 3.84Å; K282-F284 HydrophobicContact CB-CZ 4.09Å; K282-F284 WeakPolarHBondContact O-CD2 3.31Å; K282-F284 WeakPolarHBondContact O-CE2 3.46Å; F284-S286 PolarHBondContact O-N 2.9Å; F284-N289 HydrophobicContact CB-CB 4.15Å; F284-N289 HydrophobicContact CD1-CB 4.05Å; F284-N289 HydrophobicContact CG-CB 4.43Å; F284-L290 HydrophobicContact CB-CB 4.12Å; F284-L290 HydrophobicContact CD2-CB 4.1Å; F284-L290 HydrophobicContact CD2-CD1 3.65Å; F284-L290 HydrophobicContact CD2-CG 4.49Å; F284-L290 HydrophobicContact CE2-CD1 4.02Å; F284-L290 HydrophobicContact CG-CB 4.29Å; F284-H293 HydrophobicContact CE1-CB 3.92Å; F284-H293 HydrophobicContact CE2-CB 3.83Å; F284-H293 AromaticContact CE2-CD2 3.33Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.37Å; F284-H293 AromaticContact CE2-CG 3.46Å; F284-H293 VanDerWaalsContact CE2-CG 3.46Å; F284-H293 AromaticContact CE2-NE2 3.84Å; F284-H293 HydrophobicContact CZ-CB 3.49Å; F284-H293 VanDerWaalsContact CZ-CB 3.49Å; F284-H293 AromaticContact CZ-CD2 3.55Å; F284-H293 AromaticContact CZ-CE1 3.87Å; F284-H293 AromaticContact CZ-CG 3.17Å; F284-H293 AromaticContact CZ-ND1 3.42Å; F284-H293 WeakPolarHBondContact CZ-ND1 3.42Å; F284-H293 AromaticContact CZ-NE2 3.94Å
285P62.6Low62.8Low27 Ų2763.8 Ų63.818%0.17536%0.358CS..SBendtrans-70.4-12.2-17930.1-37.4000113.2V264 R267 I268 L274V264-P285 HydrophobicContact CG1-CB 3.91Å; V264-P285 WeakPolarHBondContact CG1-O 3.33Å; R267-P285 PolarHBondContact NH2-O 3.48Å; I268-P285 HydrophobicContact CD1-CB 4.05Å; I268-P285 HydrophobicContact CD1-CG 3.94Å; I268-P285 HydrophobicContact CG1-CB 3.86Å; I268-P285 HydrophobicContact CG1-CG 4.21Å; L274-P285 HydrophobicContact CD2-CB 4.22Å
286S67.1Low62.6Low31 Ų3163 Ų6322%0.21737%0.369CS..SBendtrans-140.8150.8177.775.70000111.4H275 F284 A288 N289 L290H275-S286 VanDerWaalsContact CD2-C 3.44Å; F284-S286 PolarHBondContact O-N 2.9Å; S286-A288 VanDerWaalsContact C-N 3.33Å; S286-A288 PolarHBondContact O-N 3.41Å; S286-N289 PolarHBondContact O-N 2.69Å; S286-N289 VanDerWaalsContact OG-CB 3.3Å; S286-N289 WeakPolarHBondContact OG-CB 3.1Å; S286-N289 PolarHBondContact OG-N 3.22Å; S286-N289 VanDerWaalsContact OG-N 3.16Å; S286-N289 PolarHBondContact OG-OD1 3.36Å; S286-L290 PolarHBondContact O-N 2.91Å; S286-L290 VanDerWaalsContact O-N 3.1Å
287F67.1Low62.6Low126 Ų12661.2 Ų61.255%0.55336%0.357SS*.Hα-helixtrans-64.3-36.8176.2-174.2-98.9000112.2H275 N289 L290 K291H275-F287 PolarHBondContact CD2-N 3.45Å; H275-F287 VanDerWaalsContact CD2-N 3.28Å; F287-N289 VanDerWaalsContact C-N 3.31Å; F287-N289 PolarHBondContact O-N 2.93Å; F287-L290 PolarHBondContact O-N 3.22Å; F287-K291 WeakPolarHBondContact O-CB 3.46Å; F287-K291 PolarHBondContact O-N 3.03Å
288A66.3Low62.5Low63 Ų6366.2 Ų66.252%0.52139%0.388SS..Hα-helixtrans-59.2-43.117500000111.6S286 K291 T292S286-A288 VanDerWaalsContact C-N 3.33Å; S286-A288 PolarHBondContact O-N 3.41Å; A288-K291 PolarHBondContact O-N 2.68Å; A288-T292 WeakPolarHBondContact O-CG2 3.32Å; A288-T292 PolarHBondContact O-N 3.39Å
289N66.6Low62.8Low82 Ų8263.2 Ų63.244%0.43938%0.375SS..Hα-helixtrans-65.7-42.9176.8-7247.6000111.1F284 S286 F287 T292 H293F284-N289 HydrophobicContact CB-CB 4.15Å; F284-N289 HydrophobicContact CD1-CB 4.05Å; F284-N289 HydrophobicContact CG-CB 4.43Å; S286-N289 PolarHBondContact O-N 2.69Å; S286-N289 VanDerWaalsContact OG-CB 3.3Å; S286-N289 WeakPolarHBondContact OG-CB 3.1Å; S286-N289 PolarHBondContact OG-N 3.22Å; S286-N289 VanDerWaalsContact OG-N 3.16Å; S286-N289 PolarHBondContact OG-OD1 3.36Å; F287-N289 VanDerWaalsContact C-N 3.31Å; F287-N289 PolarHBondContact O-N 2.93Å; N289-T292 PolarHBondContact O-N 3.39Å; N289-T292 PolarHBondContact O-OG1 3.32Å; N289-H293 WeakPolarHBondContact O-CB 3.41Å; N289-H293 PolarHBondContact O-N 3.03Å
290L65.9Low63.4Low7 Ų760.5 Ų60.54%0.03737%0.366CS..Hα-helixtrans-60.6-44.1173.5176.964000111.9H275 L276 C277 F284 S286 F287 T292 H293 K294H275-L290 HydrophobicContact CB-CB 3.97Å; H275-L290 HydrophobicContact CB-CD2 3.6Å; H275-L290 HydrophobicContact CB-CG 4.35Å; L276-L290 WeakPolarHBondContact O-CD2 3.42Å; C277-L290 HydrophobicContact CB-CD1 3.71Å; F284-L290 HydrophobicContact CB-CB 4.12Å; F284-L290 HydrophobicContact CD2-CB 4.1Å; F284-L290 HydrophobicContact CD2-CD1 3.65Å; F284-L290 HydrophobicContact CD2-CG 4.49Å; F284-L290 HydrophobicContact CE2-CD1 4.02Å; F284-L290 HydrophobicContact CG-CB 4.29Å; S286-L290 PolarHBondContact O-N 2.91Å; S286-L290 VanDerWaalsContact O-N 3.1Å; F287-L290 PolarHBondContact O-N 3.22Å; L290-T292 PolarHBondContact O-N 3.21Å; L290-H293 WeakPolarHBondContact O-CB 3.44Å; L290-H293 PolarHBondContact O-N 3.2Å; L290-H293 VanDerWaalsContact O-N 3.13Å; L290-K294 HydrophobicContact CD1-CD 4.37Å; L290-K294 HydrophobicContact CD1-CG 4.06Å; L290-K294 HydrophobicContact CG-CD 4.25Å; L290-K294 HydrophobicContact CG-CG 4.32Å; L290-K294 PolarHBondContact O-N 3.21Å
291K68.8Low63.9Low146 Ų14662.9 Ų62.964%0.63537%0.37SS*.Hα-helixtrans-59.8-46.1178.2-172.7173.5-177.5174.10110.7F287 A288 H293 K294 C295F287-K291 WeakPolarHBondContact O-CB 3.46Å; F287-K291 PolarHBondContact O-N 3.03Å; A288-K291 PolarHBondContact O-N 2.68Å; K291-H293 VanDerWaalsContact C-N 3.28Å; K291-H293 PolarHBondContact O-N 3.42Å; K291-K294 PolarHBondContact O-N 2.97Å; K291-C295 WeakPolarHBondContact O-CB 3.38Å; K291-C295 PolarHBondContact O-N 3.09Å
292T64.3Low64.7Low43 Ų4364 Ų6426%0.26437%0.368SS..Hα-helixtrans-64.7-33.3175.768.50000113A288 N289 L290 G296 R314A288-T292 WeakPolarHBondContact O-CG2 3.32Å; A288-T292 PolarHBondContact O-N 3.39Å; N289-T292 PolarHBondContact O-N 3.39Å; N289-T292 PolarHBondContact O-OG1 3.32Å; L290-T292 PolarHBondContact O-N 3.21Å; T292-G296 PolarHBondContact O-N 3.08Å; T292-R314 HydrophobicContact CG2-CG 4.28Å; T292-R314 PolarHBondContact OG1-NH2 3.25Å
293H68.7Low65.4Low29 Ų2965.3 Ų65.313%0.13437%0.372CS..Hα-helixtrans-69.4-48.7176.8169.775.2000111.5C280 F284 N289 L290 K291 C295 G296 Q297C280-H293 PolarHBondContact SG-NE2 3.24Å; F284-H293 HydrophobicContact CE1-CB 3.92Å; F284-H293 HydrophobicContact CE2-CB 3.83Å; F284-H293 AromaticContact CE2-CD2 3.33Å; F284-H293 WeakPolarHBondContact CE2-CD2 3.37Å; F284-H293 AromaticContact CE2-CG 3.46Å; F284-H293 VanDerWaalsContact CE2-CG 3.46Å; F284-H293 AromaticContact CE2-NE2 3.84Å; F284-H293 HydrophobicContact CZ-CB 3.49Å; F284-H293 VanDerWaalsContact CZ-CB 3.49Å; F284-H293 AromaticContact CZ-CD2 3.55Å; F284-H293 AromaticContact CZ-CE1 3.87Å; F284-H293 AromaticContact CZ-CG 3.17Å; F284-H293 AromaticContact CZ-ND1 3.42Å; F284-H293 WeakPolarHBondContact CZ-ND1 3.42Å; F284-H293 AromaticContact CZ-NE2 3.94Å; N289-H293 WeakPolarHBondContact O-CB 3.41Å; N289-H293 PolarHBondContact O-N 3.03Å; L290-H293 WeakPolarHBondContact O-CB 3.44Å; L290-H293 PolarHBondContact O-N 3.2Å; L290-H293 VanDerWaalsContact O-N 3.13Å; K291-H293 VanDerWaalsContact C-N 3.28Å; K291-H293 PolarHBondContact O-N 3.42Å; H293-C295 VanDerWaalsContact C-N 3.31Å; H293-C295 PolarHBondContact O-N 3.26Å; H293-G296 PolarHBondContact O-N 3.27Å; H293-G296 VanDerWaalsContact O-N 3.12Å; H293-Q297 PolarHBondContact NE2-NE2 3.47Å; H293-Q297 PolarHBondContact NE2-OE1 2.95Å; H293-Q297 PolarHBondContact O-N 3.12Å
294K63.5Low65.6Low79 Ų7966.9 Ų66.934%0.34338%0.377SS..Hα-helixtrans-58.6-43.4174.6-75.3-174.4173.6-174.30111.6L290 K291 G296 Q297 T298L290-K294 HydrophobicContact CD1-CD 4.37Å; L290-K294 HydrophobicContact CD1-CG 4.06Å; L290-K294 HydrophobicContact CG-CD 4.25Å; L290-K294 HydrophobicContact CG-CG 4.32Å; L290-K294 PolarHBondContact O-N 3.21Å; K291-K294 PolarHBondContact O-N 2.97Å; K294-G296 PolarHBondContact O-N 3.15Å; K294-Q297 WeakPolarHBondContact O-CB 3.4Å; K294-Q297 PolarHBondContact O-N 3.25Å; K294-T298 PolarHBondContact O-N 2.92Å; K294-T298 PolarHBondContact O-OG1 3.37Å; K294-T298 VanDerWaalsContact O-OG1 3.1Å
295C63.1Low65.9Low19 Ų1965.1 Ų65.113%0.12837%0.37CS..Hα-helixtrans-58.3-36.9176.5-160.90000112.3K291 H293 Q297 G299 N300 P302K291-C295 WeakPolarHBondContact O-CB 3.38Å; K291-C295 PolarHBondContact O-N 3.09Å; H293-C295 VanDerWaalsContact C-N 3.31Å; H293-C295 PolarHBondContact O-N 3.26Å; C295-Q297 VanDerWaalsContact C-N 3.33Å; C295-G299 PolarHBondContact O-N 3.42Å; C295-N300 PolarHBondContact O-N 3.45Å; C295-N300 PolarHBondContact SG-O 3.34Å; C295-P302 WeakPolarHBondContact SG-CD 3.44Å
296G59.8Low66.1Low51 Ų5168.8 Ų68.853%0.52640%0.402SS..Hα-helixtrans-70.8-25.2173.500000114.3T292 H293 K294T292-G296 PolarHBondContact O-N 3.08Å; H293-G296 PolarHBondContact O-N 3.27Å; H293-G296 VanDerWaalsContact O-N 3.12Å; K294-G296 PolarHBondContact O-N 3.15Å
297Q57.3Low66.2Low75 Ų7572.4 Ų72.435%0.3542%0.422SS..Hα-helixtrans-86.1-39.2179.8-68.8-179-49.900112.9C277 C280 H293 K294 C295 G299C277-Q297 PolarHBondContact SG-OE1 2.81Å; C280-Q297 PolarHBondContact SG-NE2 2.96Å; H293-Q297 PolarHBondContact NE2-NE2 3.47Å; H293-Q297 PolarHBondContact NE2-OE1 2.95Å; H293-Q297 PolarHBondContact O-N 3.12Å; K294-Q297 WeakPolarHBondContact O-CB 3.4Å; K294-Q297 PolarHBondContact O-N 3.25Å; C295-Q297 VanDerWaalsContact C-N 3.33Å; Q297-G299 PolarHBondContact O-N 3.22Å
298T59.6Low66.3Low108 Ų10869 Ų6966%0.66341%0.414SS*.SBendtrans-81.1-2.3179.453.10000113.2K294 N300K294-T298 PolarHBondContact O-N 2.92Å; K294-T298 PolarHBondContact O-OG1 3.37Å; K294-T298 VanDerWaalsContact O-OG1 3.1Å; T298-N300 PolarHBondContact O-N 2.93Å; T298-N300 VanDerWaalsContact O-N 3.08Å
299G62.1Low66.1Low50 Ų5068.1 Ų68.152%0.51541%0.411SS..  trans67.53-175.100000113.9C295 Q297 K301C295-G299 PolarHBondContact O-N 3.42Å; Q297-G299 PolarHBondContact O-N 3.22Å; G299-K301 PolarHBondContact O-N 3.49Å
300N65.3Low66.2Low99 Ų9968.2 Ų68.253%0.52941%0.411SS..  trans-63.2123.8174.9-166.2-16.7000108.1C295 T298C295-N300 PolarHBondContact O-N 3.45Å; C295-N300 PolarHBondContact SG-O 3.34Å; T298-N300 PolarHBondContact O-N 2.93Å; T298-N300 VanDerWaalsContact O-N 3.08Å
301K71.8Confident66.7Low100 Ų10074 Ų7444%0.43544%0.436SS..  trans-127.580.7-177.9-75167159.6-157.70107.1G299 Y303 K311 F312G299-K301 PolarHBondContact O-N 3.49Å; K301-Y303 PolarHBondContact O-N 3.23Å; K301-K311 HydrophobicContact CB-CB 3.48Å; K301-K311 VanDerWaalsContact CB-CB 3.48Å; K301-K311 HydrophobicContact CD-CB 3.93Å; K301-K311 VanDerWaalsContact CD-O 3.26Å; K301-K311 WeakPolarHBondContact CD-O 3.48Å; K301-K311 WeakPolarHBondContact CE-O 3.31Å; K301-K311 HydrophobicContact CG-CB 4.33Å; K301-K311 PolarHBondContact NZ-O 3.44Å; K301-F312 CarbonylContact C-O 3.38Å; K301-F312 VanDerWaalsContact C-O 3.27Å; K301-F312 VanDerWaalsContact CA-O 3.3Å; K301-F312 WeakPolarHBondContact CA-O 3.21Å
302P73.1Confident67.2Low77 Ų7769 Ų6950%0.541%0.414SS..  trans-70.9-13.3-169.527.1-34.2000113C295C295-P302 WeakPolarHBondContact SG-CD 3.44Å
303Y75.9Confident67.8Low90 Ų9068.3 Ų68.335%0.35341%0.411SS..EExtended strand (participates in β ladder)trans-102.4114.4-177.7-55.4-72.9000110K301 K311 F312 L315K301-Y303 PolarHBondContact O-N 3.23Å; Y303-K311 CarbonylContact O-C 3.57Å; Y303-K311 WeakPolarHBondContact O-CA 3.35Å; Y303-F312 WeakPolarHBondContact CB-O 3.48Å; Y303-F312 PolarHBondContact N-O 2.75Å; Y303-F312 VanDerWaalsContact N-O 3.16Å; Y303-F312 PolarHBondContact O-N 2.94Å; Y303-L315 HydrophobicContact CD1-CB 4.06Å; Y303-L315 HydrophobicContact CD1-CD1 3.78Å; Y303-L315 VanDerWaalsContact CD2-N 3.35Å; Y303-L315 HydrophobicContact CE1-CB 3.82Å; Y303-L315 HydrophobicContact CE1-CD1 4.04Å; Y303-L315 HydrophobicContact CE1-CG 4.42Å; Y303-L315 HydrophobicContact CE2-CB 4.31Å; Y303-L315 HydrophobicContact CG-CB 4.4Å
304C64Low68.3Low65 Ų6571.4 Ų71.444%0.43942%0.422SS..EExtended strand (participates in β ladder)trans-106.9140.1-179.9-167.10000111G309 N310 K311 L318C304-G309 PolarHBondContact SG-O 3.11Å; C304-G309 VanDerWaalsContact SG-O 3.39Å; C304-N310 CarbonylContact C-O 3.53Å; C304-N310 WeakPolarHBondContact CA-O 3.34Å; C304-K311 HydrophobicContact CB-CG 4.5Å; C304-L318 WeakPolarHBondContact O-CD2 3.49Å
305C72Confident69Low1 Ų171.5 Ų71.51%0.00743%0.426CS..  trans-76.9120.3167.6-174.60000109.7V307 C308 G309 N310 F312 L318 H325C305-V307 PolarHBondContact O-N 3.04Å; C305-C308 VanDerWaalsContact SG-SG 3.68Å; C305-G309 WeakPolarHBondContact O-CA 3.31Å; C305-G309 PolarHBondContact O-N 3.5Å; C305-N310 HydrophobicContact CB-CB 4.39Å; C305-N310 PolarHBondContact N-O 3.35Å; C305-F312 HydrophobicContact CB-CE2 4.31Å; C305-L318 HydrophobicContact CB-CD1 3.7Å; C305-H325 PolarHBondContact SG-NE2 3.38Å; C305-H325 VanDerWaalsContact SG-NE2 3.4Å
306A65.7Low70Confident104 Ų10477.1 Ų77.186%0.8644%0.444SS*.THydrogen-bonded Turntrans-64.2-25.2177.300000113.1
307V69.6Low71.2Confident106 Ų10676.6 Ų76.664%0.64243%0.43SS*.THydrogen-bonded Turntrans-81.9-43.6-175.7-176.40000112.2C305 H325C305-V307 PolarHBondContact O-N 3.04Å; V307-H325 HydrophobicContact CG1-CB 4.44Å
308C69.2Low72.4Confident55 Ų5573.6 Ų73.637%0.37242%0.416SS..THydrogen-bonded Turntrans-125.85.4-17467.40000114.6C305 N310 H321 H325C305-C308 VanDerWaalsContact SG-SG 3.68Å; C308-N310 PolarHBondContact O-N 3.13Å; C308-N310 VanDerWaalsContact O-N 3.1Å; C308-N310 PolarHBondContact SG-ND2 3.32Å; C308-N310 VanDerWaalsContact SG-ND2 3.38Å; C308-H321 PolarHBondContact SG-NE2 3.37Å; C308-H325 PolarHBondContact SG-NE2 3.39Å; C308-H325 VanDerWaalsContact SG-NE2 3.38Å
309G62.5Low73.7Confident44 Ų4474.4 Ų74.445%0.45441%0.41SS..  trans71.61.217800000115.4C304 C305 K311C304-G309 PolarHBondContact SG-O 3.11Å; C304-G309 VanDerWaalsContact SG-O 3.39Å; C305-G309 WeakPolarHBondContact O-CA 3.31Å; C305-G309 PolarHBondContact O-N 3.5Å; G309-K311 PolarHBondContact O-N 3.29Å
310N69.1Low74.9Confident85 Ų8573.6 Ų73.646%0.45539%0.394SS..  trans-64.4131.9-179.3-83.9-31.4000111.9C304 C305 C308 F312C304-N310 CarbonylContact C-O 3.53Å; C304-N310 WeakPolarHBondContact CA-O 3.34Å; C305-N310 HydrophobicContact CB-CB 4.39Å; C305-N310 PolarHBondContact N-O 3.35Å; C308-N310 PolarHBondContact O-N 3.13Å; C308-N310 VanDerWaalsContact O-N 3.1Å; C308-N310 PolarHBondContact SG-ND2 3.32Å; C308-N310 VanDerWaalsContact SG-ND2 3.38Å; N310-F312 HydrophobicContact CB-CE2 3.75Å; N310-F312 HydrophobicContact CB-CZ 3.82Å; N310-F312 WeakPolarHBondContact O-CD2 3.31Å; N310-F312 VanDerWaalsContact O-CE2 3.23Å; N310-F312 WeakPolarHBondContact O-CE2 3.48Å
311K75.4Confident75.9Confident129 Ų12970 Ų7056%0.56137%0.374SS*.EExtended strand (participates in β ladder)trans-102.5138.1-177.3-54.5-174.9-177.9178.50112K301 Y303 C304 G309K301-K311 HydrophobicContact CB-CB 3.48Å; K301-K311 VanDerWaalsContact CB-CB 3.48Å; K301-K311 HydrophobicContact CD-CB 3.93Å; K301-K311 VanDerWaalsContact CD-O 3.26Å; K301-K311 WeakPolarHBondContact CD-O 3.48Å; K301-K311 WeakPolarHBondContact CE-O 3.31Å; K301-K311 HydrophobicContact CG-CB 4.33Å; K301-K311 PolarHBondContact NZ-O 3.44Å; Y303-K311 CarbonylContact O-C 3.57Å; Y303-K311 WeakPolarHBondContact O-CA 3.35Å; C304-K311 HydrophobicContact CB-CG 4.5Å; G309-K311 PolarHBondContact O-N 3.29Å
312F78.7Confident76.5Confident39 Ų3969 Ų6917%0.17137%0.371CS..EExtended strand (participates in β ladder)trans-127.3145.5-177.3-57.1-85000111.4K301 Y303 C305 N310 R314 N317 L318 H321K301-F312 CarbonylContact C-O 3.38Å; K301-F312 VanDerWaalsContact C-O 3.27Å; K301-F312 VanDerWaalsContact CA-O 3.3Å; K301-F312 WeakPolarHBondContact CA-O 3.21Å; Y303-F312 WeakPolarHBondContact CB-O 3.48Å; Y303-F312 PolarHBondContact N-O 2.75Å; Y303-F312 VanDerWaalsContact N-O 3.16Å; Y303-F312 PolarHBondContact O-N 2.94Å; C305-F312 HydrophobicContact CB-CE2 4.31Å; N310-F312 HydrophobicContact CB-CE2 3.75Å; N310-F312 HydrophobicContact CB-CZ 3.82Å; N310-F312 WeakPolarHBondContact O-CD2 3.31Å; N310-F312 VanDerWaalsContact O-CE2 3.23Å; N310-F312 WeakPolarHBondContact O-CE2 3.48Å; F312-R314 VanDerWaalsContact C-N 3.32Å; F312-N317 HydrophobicContact CB-CB 4.03Å; F312-N317 HydrophobicContact CD1-CB 3.8Å; F312-N317 HydrophobicContact CG-CB 4.17Å; F312-L318 HydrophobicContact CB-CB 4.27Å; F312-L318 HydrophobicContact CD2-CB 3.83Å; F312-L318 HydrophobicContact CD2-CD1 3.73Å; F312-L318 HydrophobicContact CD2-CG 4.38Å; F312-L318 HydrophobicContact CE2-CD1 3.87Å; F312-L318 HydrophobicContact CG-CB 4.2Å; F312-H321 HydrophobicContact CE1-CB 3.83Å; F312-H321 HydrophobicContact CE2-CB 3.88Å; F312-H321 AromaticContact CE2-CD2 3.51Å; F312-H321 AromaticContact CE2-CG 3.66Å; F312-H321 HydrophobicContact CZ-CB 3.37Å; F312-H321 AromaticContact CZ-CD2 3.47Å; F312-H321 VanDerWaalsContact CZ-CD2 3.47Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.43Å; F312-H321 AromaticContact CZ-CG 3.15Å; F312-H321 AromaticContact CZ-ND1 3.62Å
313S77.8Confident77.2Confident29 Ų2969.2 Ų69.220%0.20336%0.362CS..SBendtrans-81.1-11.8177.355.70000113.6
314R78.6Confident77.7Confident94 Ų9467.9 Ų67.936%0.35536%0.36SS..SBendtrans-139.3141.2-178.1-60-178.2176.2175.6-10.9110.6T292 F312 W316 N317 L318T292-R314 HydrophobicContact CG2-CG 4.28Å; T292-R314 PolarHBondContact OG1-NH2 3.25Å; F312-R314 VanDerWaalsContact C-N 3.32Å; R314-W316 VanDerWaalsContact C-N 3.31Å; R314-W316 HydrophobicContact CB-CG 4.43Å; R314-W316 PolarHBondContact O-N 3.33Å; R314-N317 HydrophobicContact CB-CB 4.46Å; R314-N317 WeakPolarHBondContact O-CB 3.49Å; R314-N317 PolarHBondContact O-N 3Å; R314-N317 VanDerWaalsContact O-N 3.16Å; R314-L318 PolarHBondContact O-N 3.42Å
315L79.6Confident78.6Confident82 Ų8268.3 Ų68.343%0.42936%0.355SS..Hα-helixtrans-60.9-39179-17763000112.5Y303 N317 L318 K319Y303-L315 HydrophobicContact CD1-CB 4.06Å; Y303-L315 HydrophobicContact CD1-CD1 3.78Å; Y303-L315 VanDerWaalsContact CD2-N 3.35Å; Y303-L315 HydrophobicContact CE1-CB 3.82Å; Y303-L315 HydrophobicContact CE1-CD1 4.04Å; Y303-L315 HydrophobicContact CE1-CG 4.42Å; Y303-L315 HydrophobicContact CE2-CB 4.31Å; Y303-L315 HydrophobicContact CG-CB 4.4Å; L315-N317 VanDerWaalsContact C-N 3.26Å; L315-N317 PolarHBondContact O-N 3.22Å; L315-L318 HydrophobicContact CD1-CD2 4.42Å; L315-L318 WeakPolarHBondContact O-CB 3.45Å; L315-L318 PolarHBondContact O-N 3.35Å; L315-K319 PolarHBondContact O-N 3.2Å
316W82.9Confident79.2Confident136 Ų13672 Ų7252%0.51538%0.378SS..Hα-helixtrans-63.3-34.4178.777.9-102.3000112.3R314 K319 L320R314-W316 VanDerWaalsContact C-N 3.31Å; R314-W316 HydrophobicContact CB-CG 4.43Å; R314-W316 PolarHBondContact O-N 3.33Å; W316-K319 PolarHBondContact O-N 2.83Å; W316-L320 HydrophobicContact CE3-CB 4.47Å; W316-L320 HydrophobicContact CE3-CD2 4.4Å; W316-L320 HydrophobicContact CZ3-CD2 3.8Å; W316-L320 WeakPolarHBondContact O-CB 3.18Å; W316-L320 PolarHBondContact O-N 2.99Å
317N85Confident80.1Confident40 Ų4073.1 Ų73.121%0.21437%0.366CS..Hα-helixtrans-65.7-42.4175.7-77.4-29.7000110.5F312 R314 L315 L320 H321F312-N317 HydrophobicContact CB-CB 4.03Å; F312-N317 HydrophobicContact CD1-CB 3.8Å; F312-N317 HydrophobicContact CG-CB 4.17Å; R314-N317 HydrophobicContact CB-CB 4.46Å; R314-N317 WeakPolarHBondContact O-CB 3.49Å; R314-N317 PolarHBondContact O-N 3Å; R314-N317 VanDerWaalsContact O-N 3.16Å; L315-N317 VanDerWaalsContact C-N 3.26Å; L315-N317 PolarHBondContact O-N 3.22Å; N317-L320 PolarHBondContact O-N 3.48Å; N317-H321 VanDerWaalsContact O-CB 3.28Å; N317-H321 WeakPolarHBondContact O-CB 3.31Å; N317-H321 PolarHBondContact O-N 3.1Å
318L83.1Confident80.7Confident13 Ų1373.5 Ų73.57%0.06836%0.36CS..Hα-helixtrans-61.5-47.7174.8171.861.2000111C304 C305 F312 R314 L315 L320 H321 Q322C304-L318 WeakPolarHBondContact O-CD2 3.49Å; C305-L318 HydrophobicContact CB-CD1 3.7Å; F312-L318 HydrophobicContact CB-CB 4.27Å; F312-L318 HydrophobicContact CD2-CB 3.83Å; F312-L318 HydrophobicContact CD2-CD1 3.73Å; F312-L318 HydrophobicContact CD2-CG 4.38Å; F312-L318 HydrophobicContact CE2-CD1 3.87Å; F312-L318 HydrophobicContact CG-CB 4.2Å; R314-L318 PolarHBondContact O-N 3.42Å; L315-L318 HydrophobicContact CD1-CD2 4.42Å; L315-L318 WeakPolarHBondContact O-CB 3.45Å; L315-L318 PolarHBondContact O-N 3.35Å; L318-L320 VanDerWaalsContact C-N 3.32Å; L318-L320 PolarHBondContact O-N 2.94Å; L318-H321 WeakPolarHBondContact O-CB 3.42Å; L318-H321 PolarHBondContact O-N 3.48Å; L318-H321 VanDerWaalsContact O-N 3.16Å; L318-Q322 HydrophobicContact CD1-CG 4.18Å; L318-Q322 WeakPolarHBondContact O-CG 3.28Å; L318-Q322 PolarHBondContact O-N 3.2Å
319K85.6Confident81.6Confident124 Ų12475.9 Ų75.954%0.53936%0.364SS..Hα-helixtrans-59.7-42.2177.4-72.5-172.1176.5-169.90112.4L315 W316 Q322L315-K319 PolarHBondContact O-N 3.2Å; W316-K319 PolarHBondContact O-N 2.83Å; K319-Q322 PolarHBondContact O-N 3.36Å
320L87.7Confident82.8Confident34 Ų3477.4 Ų77.418%0.17837%0.367CS..Hα-helixtrans-64.6-43175.9176.761.6000111.2W316 N317 L318 Q322 R323 R342W316-L320 HydrophobicContact CE3-CB 4.47Å; W316-L320 HydrophobicContact CE3-CD2 4.4Å; W316-L320 HydrophobicContact CZ3-CD2 3.8Å; W316-L320 WeakPolarHBondContact O-CB 3.18Å; W316-L320 PolarHBondContact O-N 2.99Å; N317-L320 PolarHBondContact O-N 3.48Å; L318-L320 VanDerWaalsContact C-N 3.32Å; L318-L320 PolarHBondContact O-N 2.94Å; L320-Q322 VanDerWaalsContact C-N 3.31Å; L320-Q322 PolarHBondContact O-N 2.89Å; L320-R323 VanDerWaalsContact O-CB 3.31Å; L320-R323 WeakPolarHBondContact O-CB 3.32Å; L320-R323 PolarHBondContact O-N 3.43Å; L320-R342 HydrophobicContact CD1-CG 3.57Å; L320-R342 HydrophobicContact CD2-CG 3.98Å; L320-R342 HydrophobicContact CG-CG 4.38Å
321H87.1Confident83.8Confident24 Ų2476 Ų7611%0.11136%0.357CS..Hα-helixtrans-62.7-37.8176.1170.273.9000112.4C308 F312 N317 L318 R323 I324 H325C308-H321 PolarHBondContact SG-NE2 3.37Å; F312-H321 HydrophobicContact CE1-CB 3.83Å; F312-H321 HydrophobicContact CE2-CB 3.88Å; F312-H321 AromaticContact CE2-CD2 3.51Å; F312-H321 AromaticContact CE2-CG 3.66Å; F312-H321 HydrophobicContact CZ-CB 3.37Å; F312-H321 AromaticContact CZ-CD2 3.47Å; F312-H321 VanDerWaalsContact CZ-CD2 3.47Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.43Å; F312-H321 AromaticContact CZ-CG 3.15Å; F312-H321 AromaticContact CZ-ND1 3.62Å; N317-H321 VanDerWaalsContact O-CB 3.28Å; N317-H321 WeakPolarHBondContact O-CB 3.31Å; N317-H321 PolarHBondContact O-N 3.1Å; L318-H321 WeakPolarHBondContact O-CB 3.42Å; L318-H321 PolarHBondContact O-N 3.48Å; L318-H321 VanDerWaalsContact O-N 3.16Å; H321-R323 PolarHBondContact O-N 3.49Å; H321-R323 VanDerWaalsContact O-N 3.14Å; H321-I324 VanDerWaalsContact O-CB 3.26Å; H321-I324 WeakPolarHBondContact O-CB 3.42Å; H321-I324 WeakPolarHBondContact O-CG1 3.38Å; H321-I324 PolarHBondContact O-N 3.16Å; H321-H325 AromaticContact CD2-NE2 3.95Å; H321-H325 AromaticContact CE1-NE2 3.82Å; H321-H325 AromaticContact NE2-CD2 3.98Å; H321-H325 AromaticContact NE2-NE2 3.19Å; H321-H325 PolarHBondContact NE2-NE2 3.11Å; H321-H325 VanDerWaalsContact NE2-NE2 3.19Å
322Q84.1Confident84.6Confident79 Ų7975.7 Ų75.737%0.36936%0.358SS..Hα-helixtrans-58.5-26.5176.4-76.5172.7-39.500112.8L318 K319 L320 I324 H325 T326L318-Q322 HydrophobicContact CD1-CG 4.18Å; L318-Q322 WeakPolarHBondContact O-CG 3.28Å; L318-Q322 PolarHBondContact O-N 3.2Å; K319-Q322 PolarHBondContact O-N 3.36Å; L320-Q322 VanDerWaalsContact C-N 3.31Å; L320-Q322 PolarHBondContact O-N 2.89Å; Q322-I324 PolarHBondContact O-N 3.4Å; Q322-H325 PolarHBondContact O-N 2.9Å; Q322-T326 PolarHBondContact O-N 2.93Å; Q322-T326 VanDerWaalsContact O-N 3.15Å
323R88.1Confident85.3Confident80 Ų8074.1 Ų74.130%0.30235%0.351SS..Hα-helixtrans-63.4-20.4174.1-60.7-175.7-178.7173.2-5.3113.9L320 H321 H325 T326 Q327 E328 T341L320-R323 VanDerWaalsContact O-CB 3.31Å; L320-R323 WeakPolarHBondContact O-CB 3.32Å; L320-R323 PolarHBondContact O-N 3.43Å; H321-R323 PolarHBondContact O-N 3.49Å; H321-R323 VanDerWaalsContact O-N 3.14Å; R323-H325 VanDerWaalsContact C-N 3.34Å; R323-T326 WeakPolarHBondContact CA-OG1 3.49Å; R323-Q327 VanDerWaalsContact O-CA 3.28Å; R323-Q327 WeakPolarHBondContact O-CA 3.32Å; R323-Q327 PolarHBondContact O-N 2.95Å; R323-E328 HydrophobicContact CB-CB 4.44Å; R323-E328 HydrophobicContact CG-CB 4.42Å; R323-E328 PolarHBondContact O-N 3.35Å; R323-T341 HydrophobicContact CB-CG2 4.43Å; R323-T341 PolarHBondContact NH1-O 2.86Å
324I85.5Confident86Confident62 Ų6277.6 Ų77.632%0.31838%0.376SS..Hα-helixtrans-69.1-38.6173.7-58.9173.6000109.8H321 Q322 Q327H321-I324 VanDerWaalsContact O-CB 3.26Å; H321-I324 WeakPolarHBondContact O-CB 3.42Å; H321-I324 WeakPolarHBondContact O-CG1 3.38Å; H321-I324 PolarHBondContact O-N 3.16Å; Q322-I324 PolarHBondContact O-N 3.4Å; I324-Q327 PolarHBondContact O-NE2 3.42Å
325H83.6Confident86.6Confident74 Ų7479.5 Ų79.534%0.34339%0.39SS..Hα-helixtrans-74.5-38.2178.6-60.4-56000112C305 V307 C308 H321 Q322 R323 Q327C305-H325 PolarHBondContact SG-NE2 3.38Å; C305-H325 VanDerWaalsContact SG-NE2 3.4Å; V307-H325 HydrophobicContact CG1-CB 4.44Å; C308-H325 PolarHBondContact SG-NE2 3.39Å; C308-H325 VanDerWaalsContact SG-NE2 3.38Å; H321-H325 AromaticContact CD2-NE2 3.95Å; H321-H325 AromaticContact CE1-NE2 3.82Å; H321-H325 AromaticContact NE2-CD2 3.98Å; H321-H325 AromaticContact NE2-NE2 3.19Å; H321-H325 PolarHBondContact NE2-NE2 3.11Å; H321-H325 VanDerWaalsContact NE2-NE2 3.19Å; Q322-H325 PolarHBondContact O-N 2.9Å; R323-H325 VanDerWaalsContact C-N 3.34Å; H325-Q327 VanDerWaalsContact C-N 3.32Å
326T84.3Confident87.2Confident79 Ų7977.2 Ų77.249%0.48538%0.381SS..Hα-helixtrans-84-8.2178.462.10000113.5Q322 R323 E328Q322-T326 PolarHBondContact O-N 2.93Å; Q322-T326 VanDerWaalsContact O-N 3.15Å; R323-T326 WeakPolarHBondContact CA-OG1 3.49Å; T326-E328 PolarHBondContact O-N 2.83Å; T326-E328 VanDerWaalsContact O-N 3.08Å; T326-E328 WeakPolarHBondContact OG1-CG 3.26Å
327Q84.9Confident87.5Confident128 Ų12877.8 Ų77.860%0.59839%0.394SS*.THydrogen-bonded Turntrans54.121.3-172.3-62.7-66.2-23.300113.9R323 I324 H325 K329R323-Q327 VanDerWaalsContact O-CA 3.28Å; R323-Q327 WeakPolarHBondContact O-CA 3.32Å; R323-Q327 PolarHBondContact O-N 2.95Å; I324-Q327 PolarHBondContact O-NE2 3.42Å; H325-Q327 VanDerWaalsContact C-N 3.32Å; Q327-K329 PolarHBondContact O-N 3.16Å; Q327-K329 VanDerWaalsContact O-N 3.16Å
328E82.5Confident87.8Confident113 Ų11381.4 Ų81.453%0.52841%0.408SS..  trans-69.3113.3179-78.9178.1-164.800110.9R323 T326 P330R323-E328 HydrophobicContact CB-CB 4.44Å; R323-E328 HydrophobicContact CG-CB 4.42Å; R323-E328 PolarHBondContact O-N 3.35Å; T326-E328 PolarHBondContact O-N 2.83Å; T326-E328 VanDerWaalsContact O-N 3.08Å; T326-E328 WeakPolarHBondContact OG1-CG 3.26Å; E328-P330 VanDerWaalsContact C-CD 3.45Å; E328-P330 WeakPolarHBondContact O-CD 3.4Å
329K86.8Confident88.2Confident105 Ų10582.5 Ų82.546%0.45742%0.416SS..  trans-116.776.6177.8-70.8166.7172.8-1760110Q327 H331 S339 F340 T341Q327-K329 PolarHBondContact O-N 3.16Å; Q327-K329 VanDerWaalsContact O-N 3.16Å; K329-H331 PolarHBondContact O-N 2.86Å; K329-H331 VanDerWaalsContact O-N 3.09Å; K329-S339 WeakPolarHBondContact CD-O 3.44Å; K329-F340 CarbonylContact C-O 3.31Å; K329-F340 WeakPolarHBondContact CA-O 3.28Å; K329-T341 HydrophobicContact CG-CG2 3.98Å
330P88.6Confident88.4Confident77 Ų7778.3 Ų78.350%0.540%0.398SS..  trans-69-8.3-172.726.7-34.5000114.2E328E328-P330 VanDerWaalsContact C-CD 3.45Å; E328-P330 WeakPolarHBondContact O-CD 3.4Å
331H90.7Very high88.4Confident56 Ų5678.6 Ų78.626%0.25940%0.401SS..EExtended strand (participates in β ladder)trans-11290.9-175.3-57.9-68.1000110.9K329 S339 F340 A343 L346K329-H331 PolarHBondContact O-N 2.86Å; K329-H331 VanDerWaalsContact O-N 3.09Å; H331-S339 CarbonylContact O-C 3.34Å; H331-S339 WeakPolarHBondContact O-CA 3.35Å; H331-F340 HydrophobicContact CB-CB 4.43Å; H331-F340 WeakPolarHBondContact CB-O 3.26Å; H331-F340 PolarHBondContact N-O 3.14Å; H331-F340 VanDerWaalsContact N-O 3.09Å; H331-F340 PolarHBondContact O-N 3.16Å; H331-A343 PolarHBondContact CD2-N 3.43Å; H331-A343 VanDerWaalsContact CD2-N 3.28Å; H331-A343 PolarHBondContact NE2-N 3.33Å; H331-L346 HydrophobicContact CB-CB 4.17Å; H331-L346 HydrophobicContact CB-CD2 3.85Å
332Q92.2Very high88.4Confident122 Ų12282 Ų8257%0.5741%0.413SS*.EExtended strand (participates in β ladder)trans-82.9142.9177.2-171.6172.72.400111.8S339 L346Q332-S339 WeakPolarHBondContact CG-OG 3.48Å; Q332-L346 WeakPolarHBondContact O-CD2 3.5Å
333C93.5Very high88.7Confident5 Ų580.9 Ų80.93%0.03442%0.418CS..  trans-75137.5170.1-168.20000110.7M335 C336 K338 L346C333-M335 VanDerWaalsContact C-N 3.29Å; C333-M335 PolarHBondContact SG-N 3.46Å; C333-C336 CarbonylContact C-O 3.56Å; C333-C336 WeakPolarHBondContact CB-O 3.27Å; C333-K338 WeakPolarHBondContact CB-O 3.36Å; C333-K338 PolarHBondContact N-O 3.19Å; C333-L346 HydrophobicContact CB-CD1 3.77Å
334S91.8Very high88.6Confident103 Ų10380.8 Ų80.872%0.7242%0.423SS*.SBendtrans-77.7-15.8175.556.50000113.5
335M90.3Very high88.8Confident134 Ų13480.9 Ų80.966%0.6642%0.423SS*.SBendtrans-102.9-10.5-175.4-57.4-62.7-71.800112.8C333 H353C333-M335 VanDerWaalsContact C-N 3.29Å; C333-M335 PolarHBondContact SG-N 3.46Å; M335-H353 HydrophobicContact CB-CB 4.39Å; M335-H353 HydrophobicContact CG-CB 4.39Å
336C92.4Very high89.2Confident33 Ų3378.3 Ų78.322%0.22341%0.412CS..SBendtrans-160.3167.4177.567.60000111C333 K338 H349 H353C333-C336 CarbonylContact C-O 3.56Å; C333-C336 WeakPolarHBondContact CB-O 3.27Å; C336-K338 PolarHBondContact O-N 3.03Å; C336-H349 PolarHBondContact SG-NE2 3.29Å; C336-H353 PolarHBondContact SG-NE2 3.06Å; C336-H353 VanDerWaalsContact SG-NE2 3.41Å
337D90.7Very high89.6Confident149 Ų14980.9 Ų80.980%0.79742%0.417SS*.SBendtrans-75.211-176.9-56.9-45.5000114.6
338K89.7Confident89.9Confident116 Ų11676.8 Ų76.850%0.50440%0.4SS..  trans-80.1127.6-179.1-63.2-170.1179.6-165.30110.9C333 C336 F340C333-K338 WeakPolarHBondContact CB-O 3.36Å; C333-K338 PolarHBondContact N-O 3.19Å; C336-K338 PolarHBondContact O-N 3.03Å; K338-F340 HydrophobicContact CB-CE2 3.94Å; K338-F340 HydrophobicContact CB-CZ 3.93Å
339S91.9Very high90.3Very high35 Ų3572.6 Ų72.625%0.24538%0.38CS..EExtended strand (participates in β ladder)trans-114.4147.5175-59.20000112K329 H331 Q332K329-S339 WeakPolarHBondContact CD-O 3.44Å; H331-S339 CarbonylContact O-C 3.34Å; H331-S339 WeakPolarHBondContact O-CA 3.35Å; Q332-S339 WeakPolarHBondContact CG-OG 3.48Å
340F89.5Confident90.6Very high37 Ų3770.9 Ų70.916%0.16237%0.374CS..EExtended strand (participates in β ladder)trans-126.9150.7-173.4-57.9-86.3000111.7K329 H331 K338 R342 I345 L346 H349K329-F340 CarbonylContact C-O 3.31Å; K329-F340 WeakPolarHBondContact CA-O 3.28Å; H331-F340 HydrophobicContact CB-CB 4.43Å; H331-F340 WeakPolarHBondContact CB-O 3.26Å; H331-F340 PolarHBondContact N-O 3.14Å; H331-F340 VanDerWaalsContact N-O 3.09Å; H331-F340 PolarHBondContact O-N 3.16Å; K338-F340 HydrophobicContact CB-CE2 3.94Å; K338-F340 HydrophobicContact CB-CZ 3.93Å; F340-R342 VanDerWaalsContact C-N 3.28Å; F340-R342 PolarHBondContact O-N 3.31Å; F340-I345 HydrophobicContact CD1-CB 4.43Å; F340-I345 HydrophobicContact CD1-CG2 3.58Å; F340-I345 HydrophobicContact CE1-CG2 4.14Å; F340-I345 HydrophobicContact CG-CG2 4.29Å; F340-L346 HydrophobicContact CB-CB 4.31Å; F340-L346 HydrophobicContact CD2-CB 3.89Å; F340-L346 HydrophobicContact CD2-CD1 3.73Å; F340-L346 HydrophobicContact CD2-CG 4.4Å; F340-L346 HydrophobicContact CE2-CD1 3.93Å; F340-L346 HydrophobicContact CG-CB 4.3Å; F340-H349 HydrophobicContact CE1-CB 4.09Å; F340-H349 HydrophobicContact CE2-CB 3.83Å; F340-H349 AromaticContact CE2-CD2 3.33Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.41Å; F340-H349 AromaticContact CE2-CG 3.55Å; F340-H349 HydrophobicContact CZ-CB 3.5Å; F340-H349 AromaticContact CZ-CD2 3.44Å; F340-H349 VanDerWaalsContact CZ-CD2 3.44Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.24Å; F340-H349 AromaticContact CZ-CG 3.2Å; F340-H349 AromaticContact CZ-ND1 3.66Å; F340-H349 AromaticContact CZ-NE2 4Å
341T88.1Confident90.8Very high40 Ų4069.2 Ų69.225%0.24536%0.358CS..SBendtrans-75.3-18.8177.756.20000112.8R323 K329R323-T341 HydrophobicContact CB-CG2 4.43Å; R323-T341 PolarHBondContact NH1-O 2.86Å; K329-T341 HydrophobicContact CG-CG2 3.98Å
342R88.3Confident90.8Very high95 Ų9569.6 Ų69.636%0.35836%0.364SS..SBendtrans-137.1144.1-177.5-54.116158.5156.2-4.8112.3L320 F340 D344 I345 L346L320-R342 HydrophobicContact CD1-CG 3.57Å; L320-R342 HydrophobicContact CD2-CG 3.98Å; L320-R342 HydrophobicContact CG-CG 4.38Å; F340-R342 VanDerWaalsContact C-N 3.28Å; F340-R342 PolarHBondContact O-N 3.31Å; R342-D344 WeakPolarHBondContact CB-OD1 3.41Å; R342-D344 IonicContact CZ-OD1 3.44Å; R342-D344 IonicContact CZ-OD2 2.68Å; R342-D344 IonicContact NE-OD1 3.39Å; R342-D344 PolarHBondContact NE-OD1 3.18Å; R342-D344 IonicContact NE-OD2 3.51Å; R342-D344 IonicContact NH2-OD1 2.87Å; R342-D344 PolarHBondContact NH2-OD1 3.26Å; R342-D344 IonicContact NH2-OD2 3.55Å; R342-D344 PolarHBondContact NH2-OD2 3.36Å; R342-I345 HydrophobicContact CB-CB 4.49Å; R342-I345 HydrophobicContact CB-CG1 4.05Å; R342-I345 PolarHBondContact O-N 2.88Å; R342-L346 PolarHBondContact O-N 3.1Å
343A88.8Confident90.7Very high56 Ų5667.5 Ų67.546%0.46335%0.354SS..Hα-helixtrans-67-34.5179.100000113.9H331 I345 L346 K347H331-A343 PolarHBondContact CD2-N 3.43Å; H331-A343 VanDerWaalsContact CD2-N 3.28Å; H331-A343 PolarHBondContact NE2-N 3.33Å; A343-I345 VanDerWaalsContact C-N 3.34Å; A343-L346 PolarHBondContact O-N 2.97Å; A343-K347 PolarHBondContact O-N 3.17Å
344D87.1Confident90.6Very high77 Ų7771.3 Ų71.341%0.41238%0.378SS..Hα-helixtrans-68.2-35.7179.363-46000112R342 K347 V348R342-D344 WeakPolarHBondContact CB-OD1 3.41Å; R342-D344 IonicContact CZ-OD1 3.44Å; R342-D344 IonicContact CZ-OD2 2.68Å; R342-D344 IonicContact NE-OD1 3.39Å; R342-D344 PolarHBondContact NE-OD1 3.18Å; R342-D344 IonicContact NE-OD2 3.51Å; R342-D344 IonicContact NH2-OD1 2.87Å; R342-D344 PolarHBondContact NH2-OD1 3.26Å; R342-D344 IonicContact NH2-OD2 3.55Å; R342-D344 PolarHBondContact NH2-OD2 3.36Å; D344-K347 PolarHBondContact O-N 3.36Å; D344-V348 WeakPolarHBondContact O-CG2 3.34Å; D344-V348 PolarHBondContact O-N 2.75Å
345I89.7Confident90.5Very high64 Ų6468.6 Ų68.633%0.32837%0.365SS..Hα-helixtrans-68-42.7173.4-55.1-58000110.6F340 R342 A343 K347 V348 H349F340-I345 HydrophobicContact CD1-CB 4.43Å; F340-I345 HydrophobicContact CD1-CG2 3.58Å; F340-I345 HydrophobicContact CE1-CG2 4.14Å; F340-I345 HydrophobicContact CG-CG2 4.29Å; R342-I345 HydrophobicContact CB-CB 4.49Å; R342-I345 HydrophobicContact CB-CG1 4.05Å; R342-I345 PolarHBondContact O-N 2.88Å; A343-I345 VanDerWaalsContact C-N 3.34Å; I345-K347 VanDerWaalsContact C-N 3.3Å; I345-K347 PolarHBondContact O-N 3.44Å; I345-V348 PolarHBondContact O-N 2.84Å; I345-H349 WeakPolarHBondContact O-CB 3.49Å; I345-H349 PolarHBondContact O-N 3.16Å
346L92.5Very high90.5Very high20 Ų2067.7 Ų67.711%0.10536%0.36CS..Hα-helixtrans-57.3-44.6172.2170.461.8000111.2H331 Q332 C333 F340 R342 A343 V348 H349 Q350H331-L346 HydrophobicContact CB-CB 4.17Å; H331-L346 HydrophobicContact CB-CD2 3.85Å; Q332-L346 WeakPolarHBondContact O-CD2 3.5Å; C333-L346 HydrophobicContact CB-CD1 3.77Å; F340-L346 HydrophobicContact CB-CB 4.31Å; F340-L346 HydrophobicContact CD2-CB 3.89Å; F340-L346 HydrophobicContact CD2-CD1 3.73Å; F340-L346 HydrophobicContact CD2-CG 4.4Å; F340-L346 HydrophobicContact CE2-CD1 3.93Å; F340-L346 HydrophobicContact CG-CB 4.3Å; R342-L346 PolarHBondContact O-N 3.1Å; A343-L346 PolarHBondContact O-N 2.97Å; L346-V348 VanDerWaalsContact C-N 3.34Å; L346-V348 PolarHBondContact O-N 2.72Å; L346-H349 CarbonylContact O-C 3.58Å; L346-H349 WeakPolarHBondContact O-CA 3.26Å; L346-H349 WeakPolarHBondContact O-CB 3.33Å; L346-H349 PolarHBondContact O-N 3.41Å; L346-H349 VanDerWaalsContact O-N 3.12Å; L346-Q350 HydrophobicContact CD1-CG 4.15Å; L346-Q350 HydrophobicContact CG-CG 4.49Å; L346-Q350 WeakPolarHBondContact O-CG 3.39Å; L346-Q350 PolarHBondContact O-N 3.29Å
347K91.3Very high90.4Very high134 Ų13471.1 Ų71.158%0.58337%0.368SS*.Hα-helixtrans-63.6-39.4-179.6-164.1173.8-170.7172.30112.4A343 D344 I345 Q350A343-K347 PolarHBondContact O-N 3.17Å; D344-K347 PolarHBondContact O-N 3.36Å; I345-K347 VanDerWaalsContact C-N 3.3Å; I345-K347 PolarHBondContact O-N 3.44Å; K347-Q350 PolarHBondContact O-N 3.49Å
348V91.2Very high90.4Very high41 Ų4167.2 Ų67.225%0.24835%0.351CS..Hα-helixtrans-67.6-39.5173170.60000111D344 I345 L346 Q350 R351 R370D344-V348 WeakPolarHBondContact O-CG2 3.34Å; D344-V348 PolarHBondContact O-N 2.75Å; I345-V348 PolarHBondContact O-N 2.84Å; L346-V348 VanDerWaalsContact C-N 3.34Å; L346-V348 PolarHBondContact O-N 2.72Å; V348-Q350 VanDerWaalsContact C-N 3.34Å; V348-R351 VanDerWaalsContact O-CB 3.32Å; V348-R351 WeakPolarHBondContact O-CB 3.21Å; V348-R351 PolarHBondContact O-N 3.37Å; V348-R370 HydrophobicContact CG1-CG 3.44Å; V348-R370 VanDerWaalsContact CG1-CG 3.44Å; V348-R370 HydrophobicContact CG2-CG 4.27Å
349H92.3Very high90.6Very high25 Ų2565 Ų6512%0.11634%0.34CS..Hα-helixtrans-62.5-40174.8171.967.4000111.7C336 F340 I345 L346 R351 T352 H353C336-H349 PolarHBondContact SG-NE2 3.29Å; F340-H349 HydrophobicContact CE1-CB 4.09Å; F340-H349 HydrophobicContact CE2-CB 3.83Å; F340-H349 AromaticContact CE2-CD2 3.33Å; F340-H349 WeakPolarHBondContact CE2-CD2 3.41Å; F340-H349 AromaticContact CE2-CG 3.55Å; F340-H349 HydrophobicContact CZ-CB 3.5Å; F340-H349 AromaticContact CZ-CD2 3.44Å; F340-H349 VanDerWaalsContact CZ-CD2 3.44Å; F340-H349 WeakPolarHBondContact CZ-CD2 3.24Å; F340-H349 AromaticContact CZ-CG 3.2Å; F340-H349 AromaticContact CZ-ND1 3.66Å; F340-H349 AromaticContact CZ-NE2 4Å; I345-H349 WeakPolarHBondContact O-CB 3.49Å; I345-H349 PolarHBondContact O-N 3.16Å; L346-H349 CarbonylContact O-C 3.58Å; L346-H349 WeakPolarHBondContact O-CA 3.26Å; L346-H349 WeakPolarHBondContact O-CB 3.33Å; L346-H349 PolarHBondContact O-N 3.41Å; L346-H349 VanDerWaalsContact O-N 3.12Å; H349-R351 PolarHBondContact O-N 3.18Å; H349-R351 VanDerWaalsContact O-N 3.12Å; H349-T352 WeakPolarHBondContact O-CA 3.3Å; H349-T352 WeakPolarHBondContact O-CB 3.38Å; H349-T352 WeakPolarHBondContact O-CG2 3.23Å; H349-T352 PolarHBondContact O-N 3.29Å; H349-T352 PolarHBondContact O-OG1 3.19Å; H349-H353 AromaticContact CD2-NE2 3.98Å; H349-H353 AromaticContact CE1-NE2 3.65Å; H349-H353 AromaticContact NE2-CD2 3.88Å; H349-H353 AromaticContact NE2-NE2 3.13Å; H349-H353 PolarHBondContact NE2-NE2 3.38Å; H349-H353 VanDerWaalsContact NE2-NE2 3.13Å
350Q91.8Very high90.6Very high69 Ų6966.2 Ų66.232%0.32235%0.348SS..Hα-helixtrans-57.3-30.7176.1-75171.6-34.100112.7L346 K347 V348 T352 H353 T354L346-Q350 HydrophobicContact CD1-CG 4.15Å; L346-Q350 HydrophobicContact CG-CG 4.49Å; L346-Q350 WeakPolarHBondContact O-CG 3.39Å; L346-Q350 PolarHBondContact O-N 3.29Å; K347-Q350 PolarHBondContact O-N 3.49Å; V348-Q350 VanDerWaalsContact C-N 3.34Å; Q350-T352 PolarHBondContact O-N 2.84Å; Q350-T352 VanDerWaalsContact O-N 3.16Å; Q350-H353 PolarHBondContact O-N 3.38Å; Q350-T354 PolarHBondContact O-N 3.4Å
351R92.8Very high90.8Very high43 Ų4364.6 Ų64.616%0.16234%0.341CS..Hα-helixtrans-65-14.1172.8-59.5176.4177161.7-0.9113.8V348 H349 T354 G355 E356 K369V348-R351 VanDerWaalsContact O-CB 3.32Å; V348-R351 WeakPolarHBondContact O-CB 3.21Å; V348-R351 PolarHBondContact O-N 3.37Å; H349-R351 PolarHBondContact O-N 3.18Å; H349-R351 VanDerWaalsContact O-N 3.12Å; R351-T354 WeakPolarHBondContact CA-OG1 3.38Å; R351-G355 WeakPolarHBondContact O-CA 3.47Å; R351-G355 PolarHBondContact O-N 2.93Å; R351-G355 VanDerWaalsContact O-N 3.08Å; R351-E356 HydrophobicContact CB-CB 4.36Å; R351-E356 HydrophobicContact CG-CB 4.25Å; R351-E356 PolarHBondContact O-N 3.41Å; R351-K369 HydrophobicContact CB-CG 4.47Å; R351-K369 PolarHBondContact NH1-O 3.49Å; R351-K369 WeakPolarHBondContact O-CE 3.43Å
352T91.5Very high90.9Very high64 Ų6467.4 Ų67.439%0.39337%0.368SS..Hα-helixtrans-74.9-29.6172.2710000112.4H349 Q350 K369H349-T352 WeakPolarHBondContact O-CA 3.3Å; H349-T352 WeakPolarHBondContact O-CB 3.38Å; H349-T352 WeakPolarHBondContact O-CG2 3.23Å; H349-T352 PolarHBondContact O-N 3.29Å; H349-T352 PolarHBondContact O-OG1 3.19Å; Q350-T352 PolarHBondContact O-N 2.84Å; Q350-T352 VanDerWaalsContact O-N 3.16Å; T352-K369 HydrophobicContact CG2-CD 4.12Å
353H90.4Very high90.8Very high77 Ų7767.8 Ų67.836%0.35638%0.376SS..Hα-helixtrans-80.7-41.6176.4-61.6-62.6000111.5M335 C336 H349 Q350M335-H353 HydrophobicContact CB-CB 4.39Å; M335-H353 HydrophobicContact CG-CB 4.39Å; C336-H353 PolarHBondContact SG-NE2 3.06Å; C336-H353 VanDerWaalsContact SG-NE2 3.41Å; H349-H353 AromaticContact CD2-NE2 3.98Å; H349-H353 AromaticContact CE1-NE2 3.65Å; H349-H353 AromaticContact NE2-CD2 3.88Å; H349-H353 AromaticContact NE2-NE2 3.13Å; H349-H353 PolarHBondContact NE2-NE2 3.38Å; H349-H353 VanDerWaalsContact NE2-NE2 3.13Å; Q350-H353 PolarHBondContact O-N 3.38Å
354T90.3Very high91Very high86 Ų8668.2 Ų68.253%0.52838%0.375SS..Hα-helixtrans-81.8-14.6-179.6640000113.8Q350 R351 E356Q350-T354 PolarHBondContact O-N 3.4Å; R351-T354 WeakPolarHBondContact CA-OG1 3.38Å; T354-E356 PolarHBondContact O-N 3.29Å; T354-E356 WeakPolarHBondContact OG1-CG 3.41Å; T354-E356 PolarHBondContact OG1-N 3.29Å
355G89.3Confident91.1Very high45 Ų4567 Ų6746%0.46438%0.38SS..  trans71.44.5-174.300000114.4R351 R357R351-G355 WeakPolarHBondContact O-CA 3.47Å; R351-G355 PolarHBondContact O-N 2.93Å; R351-G355 VanDerWaalsContact O-N 3.08Å; G355-R357 PolarHBondContact O-N 3.45Å
356E90.8Very high91.1Very high115 Ų11568.5 Ų68.554%0.53739%0.386SS..  trans-60.8125-178.2-77.3179.8-17200112.6R351 T354 P358R351-E356 HydrophobicContact CB-CB 4.36Å; R351-E356 HydrophobicContact CG-CB 4.25Å; R351-E356 PolarHBondContact O-N 3.41Å; T354-E356 PolarHBondContact O-N 3.29Å; T354-E356 WeakPolarHBondContact OG1-CG 3.41Å; T354-E356 PolarHBondContact OG1-N 3.29Å; E356-P358 WeakPolarHBondContact O-CD 3.47Å
357R90.9Very high91.1Very high105 Ų10568.7 Ų68.740%0.39639%0.389SS..  trans-123.675.8176.7-62177.183.5105.8-3.1110.2G355 Y359 H366 S367 F368 K369G355-R357 PolarHBondContact O-N 3.45Å; R357-Y359 PolarHBondContact O-N 3.02Å; R357-Y359 VanDerWaalsContact O-N 3.11Å; R357-H366 PolarHBondContact NH2-NE2 3.22Å; R357-S367 VanDerWaalsContact CB-CB 3.47Å; R357-S367 VanDerWaalsContact NE-C 3.33Å; R357-S367 PolarHBondContact NE-O 3.31Å; R357-S367 PolarHBondContact NH2-O 3.18Å; R357-F368 CarbonylContact C-O 3.58Å; R357-F368 VanDerWaalsContact C-O 3.31Å; R357-F368 WeakPolarHBondContact CA-O 3.33Å; R357-K369 HydrophobicContact CG-CG 3.99Å
358P90.6Very high91.1Very high67 Ų6763.4 Ų63.444%0.43537%0.366SS..  trans-70.6-8.7-170.127.1-34.5000114.5E356E356-P358 WeakPolarHBondContact O-CD 3.47Å
359Y93.1Very high91.1Very high69 Ų6964.2 Ų64.227%0.27137%0.366SS..EExtended strand (participates in β ladder)trans-111.2103.1-175.5-55.7-69.5000110.9R357 S367 F368 L371R357-Y359 PolarHBondContact O-N 3.02Å; R357-Y359 VanDerWaalsContact O-N 3.11Å; Y359-S367 CarbonylContact O-C 3.59Å; Y359-S367 WeakPolarHBondContact O-CA 3.43Å; Y359-F368 PolarHBondContact N-O 2.79Å; Y359-F368 PolarHBondContact O-N 3.28Å; Y359-L371 HydrophobicContact CD1-CB 4.14Å; Y359-L371 HydrophobicContact CD1-CD1 3.95Å; Y359-L371 HydrophobicContact CD2-CB 4.43Å; Y359-L371 HydrophobicContact CE1-CB 3.93Å; Y359-L371 HydrophobicContact CE1-CD1 4.25Å; Y359-L371 HydrophobicContact CE2-CB 4.21Å; Y359-L371 HydrophobicContact CG-CB 4.38Å
360C93Very high91Very high62 Ų6266.5 Ų66.542%0.41937%0.374SS..EExtended strand (participates in β ladder)trans-98.5139.4-179.2-53.80000111.8S367C360-S367 PolarHBondContact SG-OG 3.16Å
361C92.8Very high90.9Very high3 Ų366.9 Ų66.92%0.0238%0.378CS..  trans-76.2122.2169.1-173.30000109.9I363 G365 H366 F368 L374C361-I363 PolarHBondContact O-N 3.19Å; C361-I363 PolarHBondContact SG-N 2.92Å; C361-G365 WeakPolarHBondContact O-CA 3.23Å; C361-G365 PolarHBondContact O-N 2.82Å; C361-H366 WeakPolarHBondContact CB-O 3.41Å; C361-H366 PolarHBondContact N-O 3.43Å; C361-F368 HydrophobicContact CB-CE2 4.44Å; C361-L374 HydrophobicContact CB-CD1 3.75Å
362A89.6Confident90.8Very high99 Ų9968.2 Ų68.282%0.81839%0.388SS*.THydrogen-bonded Turntrans-68-20176.800000113.6
363I88.1Confident90.8Very high102 Ų10269.3 Ų69.352%0.52339%0.389SS..THydrogen-bonded Turntrans-84.7-47-176-57.9173.1000110.9C361 H381C361-I363 PolarHBondContact O-N 3.19Å; C361-I363 PolarHBondContact SG-N 2.92Å; I363-H381 HydrophobicContact CD1-CB 3.53Å; I363-H381 HydrophobicContact CG2-CB 4.35Å
364C91.4Very high91Very high65 Ų6566.2 Ų66.244%0.43938%0.375SS..THydrogen-bonded Turntrans-119.13.5-175.168.80000114.6H366 H377 H381C364-H366 PolarHBondContact O-N 2.87Å; C364-H366 VanDerWaalsContact O-N 3.08Å; C364-H377 PolarHBondContact SG-NE2 3.26Å; C364-H381 PolarHBondContact SG-NE2 3.42Å; C364-H381 VanDerWaalsContact SG-NE2 3.43Å
365G89.1Confident91Very high51 Ų5168 Ų6853%0.52638%0.375SS..  trans72-5.1-178.900000115.3C361 S367C361-G365 WeakPolarHBondContact O-CA 3.23Å; C361-G365 PolarHBondContact O-N 2.82Å; G365-S367 PolarHBondContact O-N 3.12Å
366H91.3Very high91.1Very high96 Ų9668.1 Ų68.144%0.44437%0.369SS..  trans-67.8127.5-176.7-162.182.4000111.8R357 C361 C364 F368R357-H366 PolarHBondContact NH2-NE2 3.22Å; C361-H366 WeakPolarHBondContact CB-O 3.41Å; C361-H366 PolarHBondContact N-O 3.43Å; C364-H366 PolarHBondContact O-N 2.87Å; C364-H366 VanDerWaalsContact O-N 3.08Å; H366-F368 HydrophobicContact CB-CE2 4.3Å; H366-F368 HydrophobicContact CB-CZ 4.46Å; H366-F368 AromaticContact CD2-CE1 3.72Å; H366-F368 AromaticContact CD2-CE2 3.75Å; H366-F368 AromaticContact CD2-CZ 3.39Å; H366-F368 WeakPolarHBondContact CD2-CZ 3.36Å; H366-F368 WeakPolarHBondContact O-CD2 3.4Å; H366-F368 VanDerWaalsContact O-CE2 3.28Å; H366-F368 WeakPolarHBondContact O-CE2 3.42Å
367S92.4Very high91.1Very high24 Ų2464.6 Ų64.617%0.16835%0.352CS..EExtended strand (participates in β ladder)trans-94154.4-177.5-47.60000111.8R357 Y359 C360 G365R357-S367 VanDerWaalsContact CB-CB 3.47Å; R357-S367 VanDerWaalsContact NE-C 3.33Å; R357-S367 PolarHBondContact NE-O 3.31Å; R357-S367 PolarHBondContact NH2-O 3.18Å; Y359-S367 CarbonylContact O-C 3.59Å; Y359-S367 WeakPolarHBondContact O-CA 3.43Å; C360-S367 PolarHBondContact SG-OG 3.16Å; G365-S367 PolarHBondContact O-N 3.12Å
368F90.8Very high91.1Very high24 Ų2462.9 Ų62.911%0.10535%0.349CS..EExtended strand (participates in β ladder)trans-137.2149-178.4-61.3-90.4000111.4R357 Y359 C361 H366 R370 H373 L374 H377R357-F368 CarbonylContact C-O 3.58Å; R357-F368 VanDerWaalsContact C-O 3.31Å; R357-F368 WeakPolarHBondContact CA-O 3.33Å; Y359-F368 PolarHBondContact N-O 2.79Å; Y359-F368 PolarHBondContact O-N 3.28Å; C361-F368 HydrophobicContact CB-CE2 4.44Å; H366-F368 HydrophobicContact CB-CE2 4.3Å; H366-F368 HydrophobicContact CB-CZ 4.46Å; H366-F368 AromaticContact CD2-CE1 3.72Å; H366-F368 AromaticContact CD2-CE2 3.75Å; H366-F368 AromaticContact CD2-CZ 3.39Å; H366-F368 WeakPolarHBondContact CD2-CZ 3.36Å; H366-F368 WeakPolarHBondContact O-CD2 3.4Å; H366-F368 VanDerWaalsContact O-CE2 3.28Å; H366-F368 WeakPolarHBondContact O-CE2 3.42Å; F368-R370 VanDerWaalsContact C-N 3.32Å; F368-H373 HydrophobicContact CB-CB 4.46Å; F368-H373 HydrophobicContact CD1-CB 3.83Å; F368-H373 HydrophobicContact CG-CB 4.38Å; F368-L374 HydrophobicContact CB-CB 4.43Å; F368-L374 HydrophobicContact CD2-CB 3.83Å; F368-L374 HydrophobicContact CD2-CD1 3.84Å; F368-L374 HydrophobicContact CD2-CG 4.44Å; F368-L374 HydrophobicContact CE2-CB 4.45Å; F368-L374 HydrophobicContact CE2-CD1 3.89Å; F368-L374 HydrophobicContact CG-CB 4.27Å; F368-H377 HydrophobicContact CE1-CB 4.06Å; F368-H377 HydrophobicContact CE2-CB 3.99Å; F368-H377 AromaticContact CE2-CD2 3.65Å; F368-H377 AromaticContact CE2-CG 3.8Å; F368-H377 HydrophobicContact CZ-CB 3.41Å; F368-H377 VanDerWaalsContact CZ-CB 3.41Å; F368-H377 AromaticContact CZ-CD2 3.62Å; F368-H377 AromaticContact CZ-CG 3.29Å; F368-H377 AromaticContact CZ-ND1 3.69Å
369K90Very high91Very high58 Ų5867.7 Ų67.725%0.25236%0.359SS..SBendtrans-75.1-21.3174.3-62.8179.2175.3163.60112.8R351 T352 R357R351-K369 HydrophobicContact CB-CG 4.47Å; R351-K369 PolarHBondContact NH1-O 3.49Å; R351-K369 WeakPolarHBondContact O-CE 3.43Å; T352-K369 HydrophobicContact CG2-CD 4.12Å; R357-K369 HydrophobicContact CG-CG 3.99Å
370R90.3Very high90.8Very high73 Ų7370.7 Ų70.728%0.27537%0.373SS..SBendtrans-132.1145.9-176.5-69.2172.356.9166.7-0.3112.5V348 F368 D372 H373 L374V348-R370 HydrophobicContact CG1-CG 3.44Å; V348-R370 VanDerWaalsContact CG1-CG 3.44Å; V348-R370 HydrophobicContact CG2-CG 4.27Å; F368-R370 VanDerWaalsContact C-N 3.32Å; R370-D372 VanDerWaalsContact CB-OD1 3.31Å; R370-D372 WeakPolarHBondContact CB-OD1 3.42Å; R370-D372 IonicContact CZ-OD1 3.39Å; R370-D372 IonicContact CZ-OD2 2.69Å; R370-D372 VanDerWaalsContact CZ-OD2 3.31Å; R370-D372 IonicContact NE-OD1 3.59Å; R370-D372 PolarHBondContact NE-OD1 3.33Å; R370-D372 IonicContact NE-OD2 3.31Å; R370-D372 PolarHBondContact NE-OD2 3.13Å; R370-D372 IonicContact NH2-OD1 3.44Å; R370-D372 PolarHBondContact NH2-OD1 2.79Å; R370-D372 IonicContact NH2-OD2 2.93Å; R370-D372 PolarHBondContact NH2-OD2 3.47Å; R370-H373 HydrophobicContact CB-CB 4.47Å; R370-H373 WeakPolarHBondContact CD-NE2 3.43Å; R370-L374 PolarHBondContact O-N 3.22Å
371L91.1Very high90.4Very high76 Ų7669.3 Ų69.340%0.39836%0.36SS..Hα-helixtrans-71.1-37.7-179.2178.961.3000112.9Y359 H373 L374 K375Y359-L371 HydrophobicContact CD1-CB 4.14Å; Y359-L371 HydrophobicContact CD1-CD1 3.95Å; Y359-L371 HydrophobicContact CD2-CB 4.43Å; Y359-L371 HydrophobicContact CE1-CB 3.93Å; Y359-L371 HydrophobicContact CE1-CD1 4.25Å; Y359-L371 HydrophobicContact CE2-CB 4.21Å; Y359-L371 HydrophobicContact CG-CB 4.38Å; L371-H373 VanDerWaalsContact C-N 3.3Å; L371-H373 PolarHBondContact O-N 3.1Å; L371-L374 HydrophobicContact CD1-CD2 4.26Å; L371-L374 WeakPolarHBondContact O-CB 3.18Å; L371-L374 PolarHBondContact O-N 2.99Å; L371-K375 WeakPolarHBondContact O-CG 3.48Å; L371-K375 PolarHBondContact O-N 3.38Å
372D89.9Confident89.8Confident72 Ų7273 Ų7339%0.38538%0.383SS..Hα-helixtrans-66.3-33.5179.758.2-63.6000112.1R370 K375 S376R370-D372 VanDerWaalsContact CB-OD1 3.31Å; R370-D372 WeakPolarHBondContact CB-OD1 3.42Å; R370-D372 IonicContact CZ-OD1 3.39Å; R370-D372 IonicContact CZ-OD2 2.69Å; R370-D372 VanDerWaalsContact CZ-OD2 3.31Å; R370-D372 IonicContact NE-OD1 3.59Å; R370-D372 PolarHBondContact NE-OD1 3.33Å; R370-D372 IonicContact NE-OD2 3.31Å; R370-D372 PolarHBondContact NE-OD2 3.13Å; R370-D372 IonicContact NH2-OD1 3.44Å; R370-D372 PolarHBondContact NH2-OD1 2.79Å; R370-D372 IonicContact NH2-OD2 2.93Å; R370-D372 PolarHBondContact NH2-OD2 3.47Å; D372-K375 PolarHBondContact O-N 2.99Å; D372-S376 WeakPolarHBondContact O-CB 3.42Å; D372-S376 PolarHBondContact O-N 2.91Å
373H92Very high89Confident86 Ų8672.5 Ų72.540%0.39837%0.369SS..Hα-helixtrans-65.2-43.6170.6-65.1-27.8000112F368 R370 L371 K375 S376 H377F368-H373 HydrophobicContact CB-CB 4.46Å; F368-H373 HydrophobicContact CD1-CB 3.83Å; F368-H373 HydrophobicContact CG-CB 4.38Å; R370-H373 HydrophobicContact CB-CB 4.47Å; R370-H373 WeakPolarHBondContact CD-NE2 3.43Å; L371-H373 VanDerWaalsContact C-N 3.3Å; L371-H373 PolarHBondContact O-N 3.1Å; H373-K375 PolarHBondContact O-N 3.38Å; H373-S376 PolarHBondContact O-N 3.26Å; H373-H377 VanDerWaalsContact O-CB 3.31Å; H373-H377 WeakPolarHBondContact O-CB 3.26Å; H373-H377 PolarHBondContact O-N 2.73Å
374L93.4Very high88Confident13 Ų1372 Ų727%0.06837%0.368CS..Hα-helixtrans-58-48.4172.9171.362.5000111.1C361 F368 R370 L371 S376 H377 Q378C361-L374 HydrophobicContact CB-CD1 3.75Å; F368-L374 HydrophobicContact CB-CB 4.43Å; F368-L374 HydrophobicContact CD2-CB 3.83Å; F368-L374 HydrophobicContact CD2-CD1 3.84Å; F368-L374 HydrophobicContact CD2-CG 4.44Å; F368-L374 HydrophobicContact CE2-CB 4.45Å; F368-L374 HydrophobicContact CE2-CD1 3.89Å; F368-L374 HydrophobicContact CG-CB 4.27Å; R370-L374 PolarHBondContact O-N 3.22Å; L371-L374 HydrophobicContact CD1-CD2 4.26Å; L371-L374 WeakPolarHBondContact O-CB 3.18Å; L371-L374 PolarHBondContact O-N 2.99Å; L374-S376 VanDerWaalsContact C-N 3.31Å; L374-S376 PolarHBondContact O-N 3.16Å; L374-H377 WeakPolarHBondContact O-CB 3.5Å; L374-H377 PolarHBondContact O-N 3.2Å; L374-Q378 HydrophobicContact CD1-CG 3.94Å; L374-Q378 HydrophobicContact CG-CG 4.36Å; L374-Q378 WeakPolarHBondContact O-CB 3.49Å; L374-Q378 WeakPolarHBondContact O-CG 3.21Å; L374-Q378 PolarHBondContact O-N 3.1Å
375K92Very high86.7Confident122 Ų12274.4 Ų74.453%0.5338%0.376SS..Hα-helixtrans-60.4-41.3178.1-72.5-177.6177.8-174.10112.1L371 D372 H373 Q378 R379L371-K375 WeakPolarHBondContact O-CG 3.48Å; L371-K375 PolarHBondContact O-N 3.38Å; D372-K375 PolarHBondContact O-N 2.99Å; H373-K375 PolarHBondContact O-N 3.38Å; K375-Q378 PolarHBondContact O-N 3.39Å; K375-R379 WeakPolarHBondContact O-CG 3.32Å; K375-R379 PolarHBondContact O-N 3.25Å
376S90.5Very high85.4Confident49 Ų4977.3 Ų77.334%0.34338%0.379SS..Hα-helixtrans-64.9-42.5177.1-159.90000111.8D372 H373 L374 R379D372-S376 WeakPolarHBondContact O-CB 3.42Å; D372-S376 PolarHBondContact O-N 2.91Å; H373-S376 PolarHBondContact O-N 3.26Å; L374-S376 VanDerWaalsContact C-N 3.31Å; L374-S376 PolarHBondContact O-N 3.16Å; S376-R379 PolarHBondContact O-N 2.75Å; S376-R379 PolarHBondContact OG-NH2 3.15Å
377H91.4Very high83.6Confident40 Ų4074.8 Ų74.819%0.18538%0.379CS..Hα-helixtrans-63.7-43.5175.3170.482.4000112.4C364 F368 H373 L374 R379 K380 H381C364-H377 PolarHBondContact SG-NE2 3.26Å; F368-H377 HydrophobicContact CE1-CB 4.06Å; F368-H377 HydrophobicContact CE2-CB 3.99Å; F368-H377 AromaticContact CE2-CD2 3.65Å; F368-H377 AromaticContact CE2-CG 3.8Å; F368-H377 HydrophobicContact CZ-CB 3.41Å; F368-H377 VanDerWaalsContact CZ-CB 3.41Å; F368-H377 AromaticContact CZ-CD2 3.62Å; F368-H377 AromaticContact CZ-CG 3.29Å; F368-H377 AromaticContact CZ-ND1 3.69Å; H373-H377 VanDerWaalsContact O-CB 3.31Å; H373-H377 WeakPolarHBondContact O-CB 3.26Å; H373-H377 PolarHBondContact O-N 2.73Å; L374-H377 WeakPolarHBondContact O-CB 3.5Å; L374-H377 PolarHBondContact O-N 3.2Å; H377-R379 PolarHBondContact O-N 3.41Å; H377-K380 VanDerWaalsContact O-CB 3.31Å; H377-K380 WeakPolarHBondContact O-CB 3.36Å; H377-K380 PolarHBondContact O-N 2.8Å; H377-H381 AromaticContact CD2-CD2 3.94Å; H377-H381 AromaticContact CD2-NE2 3.67Å; H377-H381 AromaticContact CE1-NE2 3.43Å; H377-H381 PolarHBondContact CE1-NE2 3.08Å; H377-H381 AromaticContact NE2-CD2 3.62Å; H377-H381 AromaticContact NE2-CE1 3.96Å; H377-H381 AromaticContact NE2-NE2 2.9Å; H377-H381 PolarHBondContact NE2-NE2 3.35Å
378Q90.1Very high81.8Confident70 Ų7080.1 Ų80.133%0.32741%0.405SS..Hα-helixtrans-58.7-33176.8-77.4174.7-31.300113L374 K375 K380 H381 V382L374-Q378 HydrophobicContact CD1-CG 3.94Å; L374-Q378 HydrophobicContact CG-CG 4.36Å; L374-Q378 WeakPolarHBondContact O-CB 3.49Å; L374-Q378 WeakPolarHBondContact O-CG 3.21Å; L374-Q378 PolarHBondContact O-N 3.1Å; K375-Q378 PolarHBondContact O-N 3.39Å; Q378-K380 PolarHBondContact O-N 2.83Å; Q378-H381 PolarHBondContact O-N 2.81Å; Q378-V382 PolarHBondContact O-N 3.36Å
379R89.7Confident79.9Confident168 Ų16889.3 Ų89.363%0.63444%0.439SS*.Hα-helixtrans-63.1-28.9175-71.1-177.1-66.2163.61.3112.9K375 S376 H377 V382 T383K375-R379 WeakPolarHBondContact O-CG 3.32Å; K375-R379 PolarHBondContact O-N 3.25Å; S376-R379 PolarHBondContact O-N 2.75Å; S376-R379 PolarHBondContact OG-NH2 3.15Å; H377-R379 PolarHBondContact O-N 3.41Å; R379-V382 PolarHBondContact O-N 3.48Å; R379-T383 PolarHBondContact O-N 3.1Å; R379-T383 VanDerWaalsContact O-N 3.11Å; R379-T383 PolarHBondContact O-OG1 2.95Å
380K88Confident77.9Confident132 Ų13291.1 Ų91.157%0.57446%0.459SS*.Hα-helixtrans-67.2-41.9176.1-59-174.1176.5-1720111.4H377 Q378 V382 T383 D384H377-K380 VanDerWaalsContact O-CB 3.31Å; H377-K380 WeakPolarHBondContact O-CB 3.36Å; H377-K380 PolarHBondContact O-N 2.8Å; Q378-K380 PolarHBondContact O-N 2.83Å; K380-V382 VanDerWaalsContact C-N 3.26Å; K380-V382 PolarHBondContact O-N 2.98Å; K380-T383 WeakPolarHBondContact CA-OG1 3.47Å; K380-T383 PolarHBondContact O-N 2.94Å; K380-T383 VanDerWaalsContact O-N 3.13Å; K380-T383 PolarHBondContact O-OG1 3.39Å; K380-D384 PolarHBondContact O-N 3.46Å
381H84.9Confident75.4Confident32 Ų3298.4 Ų98.415%0.14850%0.503CS..Hα-helixtrans-59.9-38174-67.4-62.4000112.5I363 C364 H377 Q378 D384 L385I363-H381 HydrophobicContact CD1-CB 3.53Å; I363-H381 HydrophobicContact CG2-CB 4.35Å; C364-H381 PolarHBondContact SG-NE2 3.42Å; C364-H381 VanDerWaalsContact SG-NE2 3.43Å; H377-H381 AromaticContact CD2-CD2 3.94Å; H377-H381 AromaticContact CD2-NE2 3.67Å; H377-H381 AromaticContact CE1-NE2 3.43Å; H377-H381 PolarHBondContact CE1-NE2 3.08Å; H377-H381 AromaticContact NE2-CD2 3.62Å; H377-H381 AromaticContact NE2-CE1 3.96Å; H377-H381 AromaticContact NE2-NE2 2.9Å; H377-H381 PolarHBondContact NE2-NE2 3.35Å; Q378-H381 PolarHBondContact O-N 2.81Å; H381-D384 PolarHBondContact O-N 3.39Å; H381-L385 WeakPolarHBondContact O-CB 3.48Å; H381-L385 WeakPolarHBondContact O-CD1 3.3Å; H381-L385 WeakPolarHBondContact O-CG 3.46Å; H381-L385 PolarHBondContact O-N 3.38Å
382V78.9Confident74.6Confident82 Ų8299.5 Ų99.550%0.49751%0.509SS..Hα-helixtrans-67.8-38.8177.1179.90000111.5Q378 R379 K380 L386Q378-V382 PolarHBondContact O-N 3.36Å; R379-V382 PolarHBondContact O-N 3.48Å; K380-V382 VanDerWaalsContact C-N 3.26Å; K380-V382 PolarHBondContact O-N 2.98Å; V382-L386 HydrophobicContact CG1-CD1 4.1Å; V382-L386 WeakPolarHBondContact O-CG 3.14Å; V382-L386 PolarHBondContact O-N 3.23Å
383T74.1Confident73.8Confident87 Ų87100.9 Ų100.953%0.53452%0.515SS..Hα-helixtrans-67.6-37.917650.10000112R379 K380 L386 G387R379-T383 PolarHBondContact O-N 3.1Å; R379-T383 VanDerWaalsContact O-N 3.11Å; R379-T383 PolarHBondContact O-OG1 2.95Å; K380-T383 WeakPolarHBondContact CA-OG1 3.47Å; K380-T383 PolarHBondContact O-N 2.94Å; K380-T383 VanDerWaalsContact O-N 3.13Å; K380-T383 PolarHBondContact O-OG1 3.39Å; T383-L386 PolarHBondContact O-N 3.08Å; T383-G387 PolarHBondContact O-N 3.15Å
384D67.4Low72.8Confident91 Ų91101.8 Ų101.849%0.48752%0.522SS..Hα-helixtrans-71.1-35.8-178.8-59.4-17.5000111.5K380 H381 L386 N388K380-D384 PolarHBondContact O-N 3.46Å; H381-D384 PolarHBondContact O-N 3.39Å; D384-L386 VanDerWaalsContact C-N 3.35Å; D384-L386 PolarHBondContact O-N 2.9Å; D384-N388 PolarHBondContact O-N 3.27Å; D384-N388 PolarHBondContact O-ND2 2.91Å
385L63.4Low71.6Confident117 Ų117107 Ų10761%0.61355%0.548SS*.Hα-helixtrans-70.1-28175.3-70.9171.3000113.6H381H381-L385 WeakPolarHBondContact O-CB 3.48Å; H381-L385 WeakPolarHBondContact O-CD1 3.3Å; H381-L385 WeakPolarHBondContact O-CG 3.46Å; H381-L385 PolarHBondContact O-N 3.38Å
386L62.7Low70.3Confident112 Ų112106.1 Ų106.159%0.58655%0.55SS*.Hα-helixtrans-89-31.4177.2-66.6174.7000112.3V382 T383 D384V382-L386 HydrophobicContact CG1-CD1 4.1Å; V382-L386 WeakPolarHBondContact O-CG 3.14Å; V382-L386 PolarHBondContact O-N 3.23Å; T383-L386 PolarHBondContact O-N 3.08Å; D384-L386 VanDerWaalsContact C-N 3.35Å; D384-L386 PolarHBondContact O-N 2.9Å
387G53.6Low69Low43 Ų43109.9 Ų109.944%0.44356%0.563SS.*Hα-helixtrans-67.2-38.6175.200000113.2T383 R389 S390T383-G387 PolarHBondContact O-N 3.15Å; G387-R389 PolarHBondContact O-N 2.73Å; G387-S390 PolarHBondContact O-N 3.21Å
388N52.9Low67.4Low135 Ų135114.9 Ų114.972%0.72259%0.59SS**THydrogen-bonded Turntrans-75.72-179.8-74.1-16.4000115D384D384-N388 PolarHBondContact O-N 3.27Å; D384-N388 PolarHBondContact O-ND2 2.91Å
389R52.2Low65.7Low217 Ų217118.3 Ų118.382%0.81961%0.611SS**THydrogen-bonded Turntrans-94.14172-74.3-172.8178.5-167.4-1.1113.8G387G387-R389 PolarHBondContact O-N 2.73Å
390S48.3Very low63.7Low97 Ų97114.2 Ų114.268%0.67861%0.609SS**  trans-114.28.1-173-460000114.5G387G387-S390 PolarHBondContact O-N 3.21Å
391N37.6Very low61.4Low225 Ų225112.5 Ų112.5100%1.20361%0.612SS**  trans-1150176.1-89.3-10.2000111.5

Retrieved 391 of 391 residues in 275.5 ms (Link to these results)