A0A087XZE9_POEFO Loading...

Sp5 transcription factor a

AlphaFold DB , UniProt , Accession A0A087XZE9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 375 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.2Very low41.3Very low236 Ų236146.9 Ų146.9100%1.16383%0.832SS**  090.90-64.3-71.6-175.400106.3
2A31.6Very low41.4Very low100 Ų100144.1 Ų144.183%0.82681%0.812SS**  70.4120.4101.300000110.5
3A33.8Very low41.6Very low102 Ų102144.2 Ų144.284%0.84380%0.802SS**  cis-146123.148.300000113
4V40.9Very low41.5Very low143 Ų143140.2 Ų140.287%0.86780%0.797SS**  trans-82153.3142.8167.90000106.9
5A41.4Very low41.5Very low85 Ų85143 Ų14370%0.70280%0.797SS**  trans85.4103164.800000116.7
6V44.4Very low41.6Very low141 Ų141143.5 Ų143.586%0.85580%0.797SS**  -149.7143.6123.41750000107.1
7L41.5Very low41.8Very low162 Ų162145.4 Ų145.485%0.84880%0.798SS**  trans9654.1177.9-62.7136.6000117.7
8R50.6Low41.5Very low247 Ų247146.1 Ų146.193%0.93280%0.801SS**  -117.599.2128.1-93.6-174.3166.4-175.5-2.9107.4
9N48.4Very low41.3Very low100 Ų100151.3 Ų151.354%0.53581%0.807SS.*  trans-162.544.8164.6-136.2-2.9000116.9
10E43.9Very low41.1Very low174 Ų174150.5 Ų150.581%0.81381%0.809SS**SBendtrans-108.9-17.3170.5-69.1-97.8136.900112.3
11T44.8Very low41.4Very low126 Ų126148.8 Ų148.877%0.77381%0.805SS**SBendtrans-100.2-5.8-176.653.70000114.5
12L43.2Very low41.4Very low113 Ų113145.3 Ų145.359%0.59279%0.791SS**SBendtrans-96-18178.4-89.7168000113.8
13Q44.2Very low41.4Very low145 Ų145146.4 Ų146.468%0.67879%0.793SS**THydrogen-bonded Turntrans-81.5-17.1177-107.6167.1-15.400113.7F15Q13-F15 VanDerWaalsContact C-N 3.35Å
14A40.4Very low41.3Very low89 Ų89146.9 Ų146.974%0.73679%0.79SS**THydrogen-bonded Turntrans-82.2-8.7175.500000114.1
15F40.9Very low41.6Very low182 Ų182145.2 Ų145.280%0.79878%0.782SS**SBendtrans-103.5-6.4-175.5-130.2-88000114.2Q13Q13-F15 VanDerWaalsContact C-N 3.35Å
16L43.4Very low41.7Very low151 Ų151149.9 Ų149.979%0.79179%0.79SS**SBendtrans-110.611.9-172.4-72.4177.2000115
17Q45.3Very low41.6Very low176 Ų176150.6 Ų150.682%0.82279%0.789SS**SBendtrans-106.56.3-179.8-76.9-172.8-2.300116
18D36.3Very low41.3Very low157 Ų157149.2 Ų149.284%0.8479%0.791SS**  trans-132.449.8-174.2-139.97.8000115.3
19R36.6Very low40.8Very low245 Ų245146.5 Ų146.593%0.92579%0.786SS**  trans-142.491.3162.5-74.4-165.8173.7168.4-2.6112.2
20T38.3Very low40.9Very low136 Ų136150.8 Ų150.883%0.83480%0.802SS**  trans-81.9158.4149.449.70000110.1
21P46.1Very low40.6Very low114 Ų114146 Ų14674%0.7479%0.789SS**  trans-101.4130.1-161.335.4-26.1000111.9
22N34.1Very low40.5Very low163 Ų163146 Ų14687%0.87279%0.79SS**  trans-175.6103.8145.3-106.5-21.7000111.5
23S29.6Very low40.9Very low124 Ų124147.2 Ų147.287%0.86780%0.797SS**  165.5142.2127.647.90000111.4
24S33.2Very low41Very low111 Ų111144.1 Ų144.178%0.77680%0.796SS**  trans-26.2148.7-178-161.20000119.4
25P46.1Very low41.2Very low108 Ų108147 Ų14770%0.70180%0.798SS**  trans-73.9145.6171.234.3-34.6000109.4
26E43.3Very low41.5Very low184 Ų184145.3 Ų145.386%0.8680%0.797SS**  -178.7141.5128.4-75.3-128130.300108.6
27N44.3Very low41.6Very low155 Ų155142.3 Ų142.383%0.82979%0.794SS**  trans70.194.7176.6-78.9-17.9000119.2
28C34Very low41.4Very low133 Ų133137.7 Ų137.790%0.89979%0.786SS**  trans-164.585.8133-96.30000109.9
29K40.8Very low41.7Very low191 Ų191135.9 Ų135.983%0.8378%0.781SS**  trans-75138.5153.2-69174.6-177.9173.10106.4
30H50.2Low42.2Very low189 Ų189129.5 Ų129.588%0.87577%0.772SS**  trans91.966.2177.7-44.5-66000116.9
31S38.1Very low42.3Very low75 Ų75130.3 Ų130.352%0.52477%0.771SS.*  trans-112.8135.5151.3171.60000109.3L33 A34S31-L33 PolarHBondContact O-N 2.93Å; S31-A34 PolarHBondContact O-N 3.06Å
32P42.7Very low41.8Very low124 Ų124136.6 Ų136.681%0.80578%0.78SS**THydrogen-bonded Turntrans-62.8-6.1-178.8-18.830.4000115.1
33L50.9Low41.9Very low140 Ų140137.5 Ų137.573%0.73378%0.783SS**THydrogen-bonded Turntrans-85.2-10.8-177-84.4159.4000114.7S31S31-L33 PolarHBondContact O-N 2.93Å
34A46.8Very low42Very low80 Ų80135 Ų13566%0.66178%0.777SS**SBendtrans-82.4-16.7179.300000114.1S31S31-A34 PolarHBondContact O-N 3.06Å
35L44.4Very low42.1Very low148 Ų148138.5 Ų138.578%0.77578%0.781SS**SBendtrans-88.1-14.6-177.3-103.5152.5000114
36L46.2Very low41.4Very low147 Ų147141.6 Ų141.677%0.7779%0.786SS**SBendtrans-86.7-12.1178.6-146.975.6000113.2
37A45.8Very low41Very low88 Ų88141.6 Ų141.673%0.72779%0.785SS**SBendtrans-88.8-6.1-179.700000114.1
38A42.6Very low40.2Very low80 Ų80137.3 Ų137.366%0.66178%0.778SS**SBendtrans-101.9-6.2-169.700000115.7
39T41.6Very low40Very low119 Ų119136 Ų13673%0.7377%0.77SS**SBendtrans-105.20.4-174.247.50000115.6
40C46.8Very low39.4Very low111 Ų111134.7 Ų134.775%0.7577%0.772SS**SBendtrans-109.716-175.8-690000115.9
41N41.1Very low38.4Very low152 Ų152134.2 Ų134.281%0.81377%0.77SS**  trans-139.686.9175-84.2-39.2000112.3
42R34.8Very low39.1Very low246 Ų246134.3 Ų134.393%0.92877%0.769SS**  trans-172.8145.6146.4-108.8169.8-160.3-174.25.1110.8
43I37Very low38.5Very low182 Ų182135.6 Ų135.693%0.93377%0.769SS**SBendtrans83.393-163.5-45.8159.9000109.6
44G32.2Very low37.5Very low72 Ų72138.2 Ų138.274%0.74278%0.775SS**  cis136.7101.622.300000106.7
45H34.6Very low36.8Very low184 Ų184142 Ų14285%0.85278%0.783SS**  trans-61.1143.4171.1-87.5-90.8000111.1
46H31.4Very low36.1Very low174 Ų174143 Ų14381%0.80678%0.784SS**  -167.6117.3127.4-101.2-78.2000112
47H33.9Very low35.5Very low183 Ų183142.2 Ų142.285%0.84779%0.785SS**  trans50.9129.3145.2-80.2-104.2000124.3
48G28.1Very low35.3Very low65 Ų65144 Ų14467%0.6779%0.789SS**  130.999.8119.200000119.7
49S30.9Very low34.8Very low106 Ų106149.4 Ų149.474%0.74179%0.794SS**  trans71123.4141600000123.8
50N27.9Very low34.3Very low164 Ų164150.4 Ų150.488%0.87780%0.795SS**  trans73120.6135.4-58.8-26.7000121.8
51H28.4Very low34.3Very low178 Ų178148.8 Ų148.882%0.82478%0.783SS**  trans-83.5177.5165.4-170.9-114.2000110.1
52P52Low33.9Very low78 Ų78147 Ų14751%0.50678%0.778SS.*  cis-120172-17.810.714000113.8
53D30.9Very low33.8Very low151 Ų151143.8 Ų143.881%0.80778%0.778SS**  170.5147108.6-95.1-35.5000113.6
54F30.4Very low33.5Very low194 Ų194138.6 Ų138.685%0.85177%0.769SS**  trans-57.6150.1177-93.2-112.3000113.4
55L30.9Very low33.5Very low160 Ų160140.8 Ų140.884%0.83877%0.773SS**  178.3160.7114.3-87.9177.5000112.7
56Q29.8Very low33.6Very low168 Ų168138 Ų13879%0.78577%0.772SS**  trans-73.2147.9-164.2-73.1158.4-38.800116.8
57V33.8Very low33.7Very low131 Ų131135 Ų13579%0.79477%0.77SS**  33.9131.8128.5-164.80000116.8
58P42.6Very low33.7Very low125 Ų125137.4 Ų137.481%0.81277%0.772SS**  -152.6168.663.437.4-13.6000120.1
59Y32.1Very low33.8Very low194 Ų194140.3 Ų140.376%0.76177%0.771SS**  trans-64.3139.8168.2174.8-94.9000112.7P61Y59-P61 HydrophobicContact CE1-CB 4.35Å; Y59-P61 HydrophobicContact CE1-CG 3.67Å
60D31.4Very low33.7Very low140 Ų140145.3 Ų145.375%0.74978%0.78SS**  trans-150.4129.2157.8-153.4-16.8000110.1
61P46.2Very low34Very low77 Ų77145.9 Ų145.950%0.578%0.777SS.*  trans-104.2113.8-17935.3-24.5000111.4Y59Y59-P61 HydrophobicContact CE1-CB 4.35Å; Y59-P61 HydrophobicContact CE1-CG 3.67Å
62T33.2Very low34.4Very low116 Ų116142.7 Ų142.771%0.71277%0.772SS**  trans-146.4124.6166.341.50000113.8
63L32.8Very low33.3Very low177 Ų177151.1 Ų151.193%0.92779%0.794SS**  trans79.4122.6146.7-57.8169.4000120.3
64G29.3Very low33.3Very low73 Ų73150.8 Ų150.875%0.75380%0.797SS**  trans125.687.3133.800000116.2
65S32.5Very low33.3Very low118 Ų118148.5 Ų148.583%0.82579%0.794SS**  trans-51.7153.3157.8-52.60000111.7
66P37.8Very low33.1Very low127 Ų127150 Ų15083%0.82580%0.797SS**  -137.3120.4123.829.8-14.1000113
67S32Very low33Very low110 Ų110145.3 Ų145.377%0.76979%0.794SS**  trans-79.3136.2156.1-60.60000109.5
68R34.2Very low32.7Very low234 Ų234144.9 Ų144.988%0.88380%0.797SS**  trans164.7138.3154.8-94.4-179.9-172.8-1462.7105.9
69L31.4Very low32.6Very low125 Ų125144.8 Ų144.865%0.65480%0.796SS**  cis-168144.48.1-89.5149000105.1
70F28.1Very low32.4Very low211 Ų211144.3 Ų144.393%0.92580%0.801SS**  trans-159.4112.1141.9-95.4-71.5000108.4
71H34.1Very low32.3Very low177 Ų177143 Ų14382%0.81980%0.803SS**  trans-113.9153.1162.1-92.3-87.1000109.3
72P37.3Very low31.6Very low110 Ų110144.3 Ų144.371%0.71481%0.813SS**  trans-89.9153.8-156.535.1-33.6000113.5
73W28.5Very low31.4Very low256 Ų256146.7 Ų146.797%0.9782%0.821SS**  trans-73.6129.5171.9-87.40.7000112.4
74T31.3Very low31.3Very low143 Ų143143 Ų14388%0.87782%0.815SS**  trans-116.5128.1154.2500000107.6
75N29.4Very low31.3Very low146 Ų146142.8 Ų142.878%0.78181%0.813SS**  trans-118.7109.4-178.7-171.325.8000108.5
76E26.9Very low31.2Very low192 Ų192144.6 Ų144.690%0.89781%0.814SS**  trans-148.7122.6159.8-75.5-61.215200106.6
77G27.6Very low30.8Very low70 Ų70143.5 Ų143.572%0.72281%0.809SS**  trans-165.389-178.100000111.8
78S28.2Very low30.8Very low122 Ų122143.2 Ų143.285%0.85380%0.803SS**  trans-81.7149.9157.6-62.60000109.6
79P40.3Very low30.7Very low122 Ų122141.7 Ų141.779%0.79280%0.803SS**  trans-122.3133.816334.7-21.5000112.7
80Q28.9Very low30.5Very low185 Ų185138.8 Ų138.886%0.86480%0.803SS**  trans-147.2139153-86-156.8-12.300112.6
81S28.9Very low30.7Very low113 Ų113137.3 Ų137.379%0.7980%0.804SS**  trans70.2139.9155.870.30000117
82S30.6Very low30.3Very low103 Ų103133.7 Ų133.772%0.7280%0.799SS**  cis-173.6154.117.541.70000109.8
83L30.4Very low30.1Very low166 Ų166133.8 Ų133.887%0.86980%0.802SS**  trans151.999.5145.8-86.3150.3000108.3
84A30.1Very low30.5Very low99 Ų99130.9 Ų130.982%0.81880%0.796SS**  82.8121.483.500000114.2
85G28.2Very low31.2Very low69 Ų69129.8 Ų129.871%0.71179%0.791SS**  trans147.690.316000000118.2
86N31.4Very low31.4Very low156 Ų156130.8 Ų130.883%0.83479%0.791SS**  trans76.2103.6138.9-58.8-3.6000123.5
87S28.6Very low31.7Very low104 Ų104129.6 Ų129.673%0.72779%0.79SS**  75.7116.9112.580.10000123.8
88T31.7Very low31.8Very low104 Ų104130.8 Ų130.864%0.63879%0.788SS**  97.2135.2129.4-70000123.5
89F32.1Very low32Very low202 Ų202129.9 Ų129.989%0.88679%0.787SS**  trans74.3136.1167.1-55.4-76.2000116.8
90G27.7Very low31.8Very low64 Ų64131.2 Ų131.266%0.6678%0.783SS**  cis151.2141.25.500000108.8
91L31.7Very low32.1Very low181 Ų181130.4 Ų130.495%0.94878%0.783SS**  trans72.1152.2169-48.6170.1000116.1
92S27Very low32.3Very low101 Ų101132.5 Ų132.571%0.70678%0.78SS**  cis178.7160.8-17.1172.70000104.4
93S32.6Very low32.5Very low111 Ų111132 Ų13278%0.77678%0.776SS**  trans101.4105.5155-300000119.3
94K37.7Very low32.5Very low196 Ų196130 Ų13085%0.85278%0.776SS**  trans-65.5166.3144.8-83.3177.5-179.31740110
95P45.6Very low32.6Very low119 Ų119133.8 Ų133.877%0.77378%0.775SS**  -139150.552.3216.1000115.7
96Q33.8Very low32.6Very low167 Ų167136.3 Ų136.378%0.7878%0.781SS**  53.5110.291.6-92.4-79.4200115.4
97L33.1Very low32.7Very low167 Ų167134.3 Ų134.387%0.87478%0.775SS**  trans-158.1133.3140.9-119.9141.1000112.7
98S30.1Very low33Very low95 Ų95137.9 Ų137.966%0.66478%0.78SS**  trans-72.1156.6-178.153.40000115.1
99A32.4Very low33.1Very low103 Ų103141.4 Ų141.485%0.85179%0.789SS**  -163.4120124.100000111.7
100H34.7Very low33.2Very low150 Ų150139.9 Ų139.969%0.69478%0.784SS**  trans-75.1150.3161.8-141.1-87.3000108.6
101I35.4Very low33.5Very low169 Ų169144.4 Ų144.487%0.86779%0.792SS**  trans-176.4132.3132-87.9150.4000108.6
102Q34.2Very low34.1Very low157 Ų157141 Ų14173%0.73478%0.781SS**  trans-92.4157.7-176.2-64174.1-44.800112.2
103S33.3Very low34.3Very low91 Ų91144.2 Ų144.264%0.63679%0.79SS**  trans43.6127.2132.51750000120.4
104S32Very low34.5Very low124 Ų124144.7 Ų144.787%0.86779%0.788SS**  trans-155.4139.7133-74.40000112
105F32.2Very low34.7Very low180 Ų180141 Ų14179%0.78978%0.784SS**  trans-66155.6179.2-78.3-111.6000114.4
106S27.4Very low34.4Very low121 Ų121141.5 Ų141.585%0.84679%0.787SS**  -167.1128.9121.4-87.20000113.1
107T32.7Very low34.3Very low114 Ų114137.6 Ų137.670%0.69978%0.783SS**  trans-66.3146.8169.340.80000113.1
108H35.1Very low34.3Very low179 Ų179136.4 Ų136.483%0.82978%0.778SS**  trans-157.3120.8139.9-93.6-74.6000112.2
109H34.1Very low34.9Very low179 Ų179137.4 Ų137.483%0.82978%0.782SS**  trans62.5121.2139.8-97.3-94.2000123.5
110E34.3Very low34.8Very low169 Ų169137.4 Ų137.479%0.7978%0.776SS**  trans-72150.1160.6-66.7-146.899.200113.4
111L34.8Very low34.8Very low159 Ų159141.3 Ų141.383%0.83279%0.786SS**  177.7160.1111.7-90.4176.7000111.3
112P42.9Very low35.1Very low109 Ų109138.2 Ų138.271%0.70878%0.777SS**  trans-97.9149.4-152.737.7-34.7000113.4
113L31.2Very low35Very low170 Ų170140.4 Ų140.489%0.8978%0.78SS**  trans-126.7124.3165.6-72.6170.5000110.4
114T37.5Very low35Very low121 Ų121142.7 Ų142.774%0.74279%0.785SS**  trans-42.3150.7167.846.90000114
115P42.7Very low35Very low118 Ų118144.7 Ų144.777%0.76678%0.778SS**PPolyproline II helixtrans-73.3141.9179.330.4-33.4000111.5
116P38.7Very low35Very low129 Ų129140.4 Ų140.484%0.83877%0.771SS**PPolyproline II helixtrans-72.3132.1165.129-30.2000110
117A32.6Very low35.5Very low85 Ų85140.5 Ų140.570%0.70277%0.769SS**PPolyproline II helixtrans-68162.716500000111.5
118D32.6Very low35.6Very low143 Ų143141.5 Ų141.577%0.76577%0.774SS**  trans87.9147.6165.2-71.2-32.7000119.3
119P41.6Very low35.6Very low116 Ų116142.1 Ų142.175%0.75378%0.775SS**  cis-127.7148.719.835.1-16.2000117Y121P119-Y121 PolarHBondContact O-N 3.31Å
120S31.2Very low35.7Very low102 Ų102142 Ų14271%0.71378%0.777SS**  trans-31.8125156.5-62.70000114.4P122S120-P122 WeakPolarHBondContact O-CD 3.28Å
121Y33.6Very low35.9Very low232 Ų232141.4 Ų141.491%0.9178%0.778SS**  trans-65.3131.2162.9-90.2-94.7000110.8P119P119-Y121 PolarHBondContact O-N 3.31Å
122P43.5Very low36.3Very low105 Ų105140 Ų14068%0.68278%0.778SS**  trans-123.998.1162.533.8-16.4000109.5S120S120-P122 WeakPolarHBondContact O-CD 3.28Å
123Y31.6Very low35.6Very low203 Ų203141 Ų14180%0.79679%0.786SS**  trans-147.681.7160.5-107.5-89.3000109.7F125Y123-F125 AromaticContact CD1-CD2 3.43Å; Y123-F125 HydrophobicContact CD1-CD2 3.43Å; Y123-F125 VanDerWaalsContact CD1-CD2 3.43Å; Y123-F125 AromaticContact CD1-CE2 3.32Å; Y123-F125 HydrophobicContact CD1-CE2 3.32Å; Y123-F125 AromaticContact CE1-CD2 3.71Å; Y123-F125 HydrophobicContact CE1-CD2 3.71Å; Y123-F125 AromaticContact CE1-CE2 3.11Å; Y123-F125 HydrophobicContact CE1-CE2 3.11Å; Y123-F125 HydrophobicContact CE1-CZ 4.01Å; Y123-F125 HydrophobicContact CG-CE2 4.48Å
124D32.9Very low36Very low138 Ų138138.3 Ų138.374%0.73878%0.782SS**  trans-92.4110.1165.1-153.8-31.5000107.1
125F31.7Very low35.9Very low166 Ų166140.5 Ų140.573%0.72879%0.786SS**  trans-117.484165.8-89-96.3000108.4Y123Y123-F125 AromaticContact CD1-CD2 3.43Å; Y123-F125 HydrophobicContact CD1-CD2 3.43Å; Y123-F125 VanDerWaalsContact CD1-CD2 3.43Å; Y123-F125 AromaticContact CD1-CE2 3.32Å; Y123-F125 HydrophobicContact CD1-CE2 3.32Å; Y123-F125 AromaticContact CE1-CD2 3.71Å; Y123-F125 HydrophobicContact CE1-CD2 3.71Å; Y123-F125 AromaticContact CE1-CE2 3.11Å; Y123-F125 HydrophobicContact CE1-CE2 3.11Å; Y123-F125 HydrophobicContact CE1-CZ 4.01Å; Y123-F125 HydrophobicContact CG-CE2 4.48Å
126S32Very low35.7Very low91 Ų91144 Ų14464%0.63679%0.792SS**PPolyproline II helixtrans-73.1134.1158.5-76.40000109.8V128S126-V128 PolarHBondContact O-N 3.37Å
127P37.9Very low35.5Very low123 Ų123142.5 Ų142.580%0.79978%0.784SS**PPolyproline II helixtrans-76.6123.6-176.428.6-31.9000111.4K129P127-K129 PolarHBondContact O-N 3.25Å
128V34.5Very low35.4Very low134 Ų134144.9 Ų144.981%0.81279%0.785SS**PPolyproline II helixtrans-62.1123.7176.7-179.80000110.4S126S126-V128 PolarHBondContact O-N 3.37Å
129K36.8Very low35.4Very low193 Ų193146 Ų14684%0.83979%0.785SS**PPolyproline II helixtrans-84.7119.2162.4-78.2171179.8164.20108.2P127P127-K129 PolarHBondContact O-N 3.25Å
130M36.1Very low35.1Very low176 Ų176145.5 Ų145.587%0.86778%0.784SS**PPolyproline II helixtrans-68.2124.9164.6-71.7-75.8-159.300110.1
131L36.9Very low35Very low157 Ų157147.2 Ų147.282%0.82279%0.791SS**  trans-154.8129.3154-96165.3000107.4
132P42.9Very low34.8Very low129 Ų129142 Ų14284%0.83879%0.787SS**  trans-87.3142.8175.532.8-29.7000111.3
133C29.7Very low35.3Very low129 Ų129142.6 Ų142.687%0.87279%0.791SS**  trans-133.6117.7168.5-143.50000107.1
134S38.1Very low36.2Very low115 Ų115138.7 Ų138.780%0.80479%0.79SS**  trans-141.8127.9150.9650000108.6
135M36.2Very low36.3Very low166 Ų166138 Ų13882%0.81879%0.791SS**  trans-129.4143.4170.7-89-78.8103.700106.2
136Q39.1Very low36.3Very low191 Ų191141 Ų14189%0.89380%0.799SS**  trans143.2135.1152.6-81.7162.518.400107.7
137S33.1Very low36.5Very low98 Ų98141.5 Ų141.569%0.68580%0.798SS**  cis-161.4157.9-5.556.80000105
138L31.8Very low37.1Very low135 Ų135141.3 Ų141.371%0.70780%0.797SS**  -177130.4108.1-88.4161000110.1
139Q32.9Very low37Very low167 Ų167139.2 Ų139.278%0.7879%0.794SS**  trans52.1109.2139.3-66.5167.7-12.900119.1
140S33.9Very low36.8Very low105 Ų105136.1 Ų136.173%0.73479%0.791SS**  69.595.183.8172.60000114.4
141T29.2Very low36.6Very low138 Ų138132.2 Ų132.285%0.84778%0.781SS**  -179.8138.1128.919.50000111.3
142C30.6Very low36.7Very low123 Ų123136 Ų13683%0.83179%0.786SS**  trans-144.9164.2162.8-72.20000105.8
143P53Low36.3Very low117 Ų117134.6 Ų134.676%0.7679%0.785SS**  cis-123-162.1-3435.8-15.5000109.7
144P50.4Low36.5Very low121 Ų121133.1 Ų133.179%0.78678%0.783SS**  -149.3169.483.736.3-14.9000117.2
145T34.6Very low37Very low123 Ų123133.8 Ų133.876%0.75578%0.784SS**  trans-35.8137171.4-34.50000118.8V147T145-V147 HydrophobicContact CG2-CG2 4.5Å
146Y31.9Very low37.1Very low231 Ų231130.1 Ų130.191%0.90678%0.78SS**  trans-158.5143.5140.7-162.7-104.9000110.9
147V36.8Very low37.2Very low101 Ų101127.2 Ų127.261%0.61278%0.778SS**  trans-118.7-179.2-173.6-148.90000109.2T145T145-V147 HydrophobicContact CG2-CG2 4.5Å
148P51.4Low37.8Very low119 Ų119130 Ų13077%0.77378%0.784SS**  -102171.7-104.338.8-22.7000114.8
149A31.1Very low38.4Very low90 Ų90128.6 Ų128.674%0.74478%0.782SS**  trans-151.7112.3160.700000112.8
150V32.6Very low39.3Very low128 Ų128127 Ų12778%0.77679%0.787SS**  trans32.6128.6136.8-79.20000122.4
151S32.2Very low39.3Very low94 Ų94131.1 Ų131.166%0.65779%0.794SS**  trans54.8127133.3-48.30000118
152Y40.3Very low39.7Very low235 Ų235133 Ų13392%0.92280%0.795SS**  -153.9143.371.5-83.9-88.1000112.2
153A32.7Very low40.5Very low101 Ų101132.5 Ų132.584%0.83579%0.791SS**  trans-85.5147.1169.400000111.4
154A34.3Very low39.5Very low98 Ų98132.3 Ų132.381%0.8179%0.792SS**  trans-159.7152.5154.400000110
155P48.5Very low38.5Very low129 Ų129135.8 Ų135.884%0.83880%0.795SS**  -110.7160.9-126.537.7-32.5000116.2
156A37.8Very low38.5Very low89 Ų89135.6 Ų135.674%0.73679%0.794SS**PPolyproline II helixtrans-75.7153.6170.200000112.4
157P43.2Very low38.5Very low130 Ų130131.3 Ų131.384%0.84479%0.792SS**PPolyproline II helixtrans-78.2143.1-176.429.5-32.7000113.9
158I45.5Very low38.2Very low157 Ų157129.8 Ų129.881%0.80580%0.797SS**PPolyproline II helixtrans-77.9138179.4-60.6161.1000110.5
159P44.6Very low38Very low105 Ų105130 Ų13068%0.68280%0.798SS**PPolyproline II helixtrans-86.6144.3165.932.7-31.1000112
160P51.7Low38Very low134 Ų134131.8 Ų131.887%0.8781%0.805SS**PPolyproline II helixtrans-78.4145.4177.630.4-32.3000112.7
161Q33.8Very low37.8Very low191 Ų191129.4 Ų129.489%0.89381%0.807SS**PPolyproline II helixtrans-83.9155.3-177.7-56.5-149.928.700113.2
162M36.3Very low37.9Very low176 Ų176133.4 Ų133.487%0.86782%0.82SS**PPolyproline II helixtrans-63.4165.2167.7-68.7-101.2-172.500112.6
163P47.1Very low37.5Very low114 Ų114128.8 Ų128.874%0.7482%0.815SS**  trans-120.5136.5140.133.7-23000112.5
164S33.3Very low37.4Very low113 Ų113132.4 Ų132.479%0.7982%0.815SS**  trans-76.4146.1173.6-47.60000111.9
165F29.7Very low37.5Very low193 Ų193135.2 Ų135.285%0.84681%0.811SS**  trans-133.8116.7156.6-86.5-85.7000111.4
166V33.1Very low36.6Very low120 Ų120137.8 Ų137.873%0.72781%0.812SS**  trans55105.1133.7-167.60000121
167T31.9Very low36.4Very low141 Ų141140.7 Ų140.787%0.86581%0.81SS**  11.2131.1129.3-23.80000122.1
168G30.8Very low35.8Very low69 Ų69145.4 Ų145.471%0.71181%0.811SS**  trans141.4152.6146.700000116.2
169P47.8Very low35Very low124 Ų124145.6 Ų145.681%0.80581%0.809SS**  -126.1171.4-104.440.8-31000117.3
170S31Very low34.2Very low126 Ų126148.4 Ų148.488%0.88182%0.817SS**  trans64.3120.5148-60.70000121.5
171G28.9Very low33.1Very low79 Ų79147.3 Ų147.381%0.81481%0.812SS**  trans-171.890.8162.200000112.6
172L33.4Very low33.1Very low178 Ų178144.2 Ų144.293%0.93281%0.809SS**  trans-64.6123.7166.5-81.7161.6000110.5
173V31.6Very low32.8Very low137 Ų137143.6 Ų143.683%0.8381%0.809SS**  trans-150.8111.2148.3-169.90000112
174H31.8Very low32.6Very low177 Ų177143.9 Ų143.982%0.81981%0.811SS**  trans30114.5142.1-95.979.5000122.1
175Q34.6Very low32.5Very low157 Ų157141.8 Ų141.873%0.73481%0.807SS**  trans-34.8125.8140.3-178.1179.622.200113.8
176Q31.1Very low32.5Very low184 Ų184141.3 Ų141.386%0.8681%0.808SS**  trans-142.7109.8146.1-162.4131.143.900111.7
177Q32.8Very low32.6Very low149 Ų149143.7 Ų143.770%0.69682%0.817SS**  trans-71.8125171.9-153.2155.1-12.800108.2
178R30.4Very low33.1Very low229 Ų229143.3 Ų143.386%0.86481%0.808SS**  trans-123.2105.6166.7-144.6-175.1-82.2-1284.5108.5
179Q29.4Very low33.5Very low161 Ų161143.3 Ų143.375%0.75280%0.795SS**  trans-69.8135.6170.2-64.3-170-2.500109.5
180L27.3Very low33.1Very low165 Ų165149.1 Ų149.186%0.86480%0.801SS**  trans-139.7113.5155.6-74.9175000108.6
181S29.8Very low33.6Very low110 Ų110152.5 Ų152.577%0.76980%0.795SS**  trans-64.4154.5165.2-55.40000111.1
182P33.1Very low34.1Very low126 Ų126151.6 Ų151.682%0.81878%0.776SS**  trans-120.6125.2152.816.83.4000111.8
183N29.6Very low34.2Very low164 Ų164150.9 Ų150.988%0.87777%0.773SS**  trans-82.3165.7162.6-108-22000110.5
184P44Very low34.4Very low119 Ų119153.4 Ų153.477%0.77378%0.775SS**  trans-100.9162.8-149.438.7-35.7000114.6
185G30.2Very low34.5Very low69 Ų69155 Ų15571%0.71178%0.783SS**  trans114.1107.7154.400000114.8
186E30.5Very low34.3Very low183 Ų183151.2 Ų151.286%0.85579%0.787SS**  166.4102.8123.3-88.1-179.4172.700109.6I188E186-I188 PolarHBondContact O-N 2.89Å
187D34.6Very low34.3Very low171 Ų171149.6 Ų149.691%0.91478%0.784SS**  trans-76.897.5173.2-76.4-60.5000109.8P189D187-P189 WeakPolarHBondContact O-CD 3.04Å
188I42.9Very low34.2Very low132 Ų132150.6 Ų150.668%0.67779%0.788SS**  trans-93.6114.3165.4-54.9174.9000108.2E186E186-I188 PolarHBondContact O-N 2.89Å
189P37.8Very low34.3Very low70 Ų70146.6 Ų146.646%0.45579%0.789SS.*  trans-71.1140.1175.927-31.5000111.3D187 W191 S192D187-P189 WeakPolarHBondContact O-CD 3.04Å; P189-W191 PolarHBondContact O-N 3.34Å; P189-S192 PolarHBondContact O-N 2Å
190W39.5Very low34.3Very low246 Ų246141.6 Ų141.693%0.93278%0.781SS**THydrogen-bonded Turntrans-58.50.4-17067.1-88.8000117.8
191W43Very low34.4Very low196 Ų196143.1 Ų143.174%0.74278%0.783SS**THydrogen-bonded Turntrans-93.13.3177.864.7-93.1000114.2P189 L193P189-W191 PolarHBondContact O-N 3.34Å; W191-L193 PolarHBondContact O-N 2.97Å
192S39.4Very low34.2Very low61 Ų61142.8 Ų142.843%0.42778%0.781SS.*  trans-95.883.8176.2-63.50000112.1P189P189-S192 PolarHBondContact O-N 2Å
193L35.7Very low34Very low163 Ų163142.4 Ų142.485%0.85378%0.781SS**  trans174.2109.4139.8-116.389.8000110.4W191W191-L193 PolarHBondContact O-N 2.97Å
194Q34.2Very low34Very low190 Ų190139.8 Ų139.889%0.88878%0.775SS**  173.1108.3128.6-101.7177.5-16.300111.2
195Q34.6Very low33.4Very low209 Ų209142.3 Ų142.398%0.97778%0.781SS**  trans-147.9133.8132.2-74.6-147.217.600108
196G29.5Very low33.3Very low79 Ų79142.2 Ų142.281%0.81478%0.78SS**  trans164.5102.1174.600000113
197N32.2Very low33.8Very low150 Ų150139.2 Ų139.280%0.80278%0.776SS**  trans-68.6153.2177.2-98.6-17.8000114
198H31.6Very low33.8Very low169 Ų169139.8 Ų139.878%0.78277%0.773SS**  trans17.6129.9144.6-69.9-91.8000120.6
199V31Very low33.1Very low146 Ų146144.9 Ų144.989%0.88578%0.784SS**  -160.2136.7111174.40000107.6
200G29.3Very low32.7Very low56 Ų56150.2 Ų150.258%0.57780%0.8SS**  trans-95.7160.5175.100000112.9
201H29.3Very low32.4Very low197 Ų197147.5 Ų147.591%0.91280%0.798SS**  trans-164.9139.5135.4-93.6-71.4000109.5
202S27.4Very low31.8Very low103 Ų103146 Ų14672%0.7280%0.804SS**  trans-72.6149.6-174.644.30000114.7
203S28.4Very low31.5Very low118 Ų118152.3 Ų152.383%0.82583%0.827SS**  -176.8109.1124.4-75.50000112.9
204S28.2Very low31.5Very low108 Ų108156.5 Ų156.576%0.75583%0.831SS**  trans27.2117.4136.5174.80000121
205L31.2Very low31.5Very low173 Ų173150.7 Ų150.791%0.90682%0.822SS**  -173.4130.4120.5-94.5159.9000108.7
206G29.9Very low31.6Very low66 Ų66148.3 Ų148.368%0.6882%0.815SS**  trans-129.6-170.7170.100000110.6
207P40.6Very low32.3Very low120 Ų120150.9 Ų150.978%0.77982%0.815SS**  cis-127.4129.1-29.233.7-16.6000111.5
208H33.2Very low32.6Very low184 Ų184150.1 Ų150.185%0.85281%0.81SS**  trans-100.1106.6159.4-96.3-88000109.3F210H208-F210 PolarHBondContact O-N 3.35Å; H208-F210 VanDerWaalsContact O-N 3.15Å
209R28.8Very low33Very low238 Ų238143.4 Ų143.490%0.89879%0.786SS**  trans-68.799.7170.5-80.4175.9124158.2-1.2109.3
210F30.2Very low33.8Very low182 Ų182144.7 Ų144.780%0.79878%0.782SS**  trans-100.9112.5151.9-83.9-83.8000107.9H208 L212H208-F210 PolarHBondContact O-N 3.35Å; H208-F210 VanDerWaalsContact O-N 3.15Å; F210-L212 PolarHBondContact O-N 3.34Å
211Q31.7Very low34.9Very low190 Ų190146.2 Ų146.289%0.88878%0.78SS**  trans-64.597171.3-82.4174.1-30.600109Q213Q211-Q213 PolarHBondContact O-N 2.99Å
212L31.1Very low36Very low165 Ų165140.2 Ų140.286%0.86476%0.755SS**  trans-70.9111.5158.2-76.7163.4000107.5F210 R214F210-L212 PolarHBondContact O-N 3.34Å; L212-R214 PolarHBondContact O-N 3Å
213Q32.8Very low36.9Very low193 Ų193141.7 Ų141.790%0.90275%0.749SS**  trans-61.7100.3165.7-82.7-177.7-24.400108.7Q211 G215Q211-Q213 PolarHBondContact O-N 2.99Å; Q213-G215 PolarHBondContact O-N 3.4Å
214R35.5Very low38.1Very low251 Ų251138.5 Ų138.595%0.94773%0.729SS**  trans-60.7120.9153.4-86177.4165.7159.1-4107.6L212L212-R214 PolarHBondContact O-N 3Å
215G35.9Very low39.2Very low67 Ų67138.7 Ų138.769%0.69172%0.718SS**  trans163.368.2167.100000115.1Q213Q213-G215 PolarHBondContact O-N 3.4Å
216L36.8Very low40.3Very low160 Ų160133.7 Ų133.784%0.83869%0.688SS**  trans-148.273.1144.8-99165.7000106.5L218L216-L218 VanDerWaalsContact C-N 3.29Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-L218 VanDerWaalsContact O-N 3.09Å
217V42.2Very low41.4Very low133 Ų133132.9 Ų132.981%0.80667%0.666SS**  trans-66.4100.2156.2175.60000104.4G219V217-G219 PolarHBondContact O-N 3.2Å
218L39.8Very low42.4Very low133 Ų133131.6 Ų131.670%0.69666%0.657SS**  trans-55.1113.7166.4-79.5163.4000106.5L216L216-L218 VanDerWaalsContact C-N 3.29Å; L216-L218 PolarHBondContact O-N 3.45Å; L216-L218 VanDerWaalsContact O-N 3.09Å
219G39.8Very low43.5Very low28 Ų28128.7 Ų128.729%0.28964%0.643SS.*  trans-60.3148.2-172.400000110.6V217 T221 D222V217-G219 PolarHBondContact O-N 3.2Å; G219-T221 PolarHBondContact O-N 2.88Å; G219-D222 PolarHBondContact O-N 3.44Å
220H47.7Very low45Very low174 Ų174117.7 Ų117.781%0.80660%0.602SS**Hα-helixtrans-50.4-15.8167.9-89.8-96.7000113.4A224H220-A224 WeakPolarHBondContact O-CB 3.02Å; H220-A224 PolarHBondContact O-N 3.39Å
221T53Low46.3Very low87 Ų87110.2 Ų110.253%0.53457%0.574SS.*Hα-helixtrans-64.2-36.4173.650.90000113.4G219 Q225G219-T221 PolarHBondContact O-N 2.88Å; T221-Q225 WeakPolarHBondContact O-CB 3.49Å; T221-Q225 WeakPolarHBondContact O-CG 3.39Å; T221-Q225 PolarHBondContact O-N 3.25Å
222D51.3Low47.7Very low72 Ų72103.6 Ų103.639%0.38555%0.552SS.*Hα-helixtrans-79.6-34.1-174.5-62.2-17.6000111.4G219 Q225 Y226G219-D222 PolarHBondContact O-N 3.44Å; D222-Q225 PolarHBondContact O-N 3.35Å; D222-Y226 VanDerWaalsContact O-CB 3.26Å; D222-Y226 WeakPolarHBondContact O-CB 3.47Å; D222-Y226 PolarHBondContact O-N 3.15Å
223F46.9Very low49.1Very low134 Ų134101.8 Ų101.859%0.58854%0.542SS*.Hα-helixtrans-68.1-40.9172.2-170.9-99.5000111.5Y226 Q227F223-Y226 PolarHBondContact O-N 3.39Å; F223-Q227 HydrophobicContact CD1-CG 4.09Å; F223-Q227 HydrophobicContact CE1-CG 3.84Å; F223-Q227 HydrophobicContact CZ-CG 4.22Å; F223-Q227 WeakPolarHBondContact O-CB 3.49Å; F223-Q227 WeakPolarHBondContact O-CG 3.47Å; F223-Q227 PolarHBondContact O-N 3.46Å
224A52.8Low50.2Low50 Ų5094.9 Ų94.941%0.41351%0.511SS..Hα-helixtrans-65.5-41.3174.100000111.7H220 Q227 T228H220-A224 WeakPolarHBondContact O-CB 3.02Å; H220-A224 PolarHBondContact O-N 3.39Å; A224-Q227 PolarHBondContact O-N 3.49Å; A224-T228 VanDerWaalsContact O-CB 3.29Å; A224-T228 WeakPolarHBondContact O-CB 3.12Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 3.47Å
225Q52.7Low50.9Low112 Ų11289.3 Ų89.352%0.52350%0.496SS..Hα-helixtrans-63.4-41.3174.5-77-179.313.300111.9T221 D222 T228 Q229T221-Q225 WeakPolarHBondContact O-CB 3.49Å; T221-Q225 WeakPolarHBondContact O-CG 3.39Å; T221-Q225 PolarHBondContact O-N 3.25Å; D222-Q225 PolarHBondContact O-N 3.35Å; Q225-T228 PolarHBondContact O-N 2.94Å; Q225-Q229 WeakPolarHBondContact O-CB 3.06Å; Q225-Q229 VanDerWaalsContact O-CG 3.24Å; Q225-Q229 WeakPolarHBondContact O-CG 3.4Å; Q225-Q229 PolarHBondContact O-N 3.08Å
226Y53.6Low51.4Low69 Ų6990.2 Ų90.227%0.27149%0.488SS..Hα-helixtrans-64.8-45.2176.2-177.7-104.7000112.2D222 F223 T228 Q229 I230 I273D222-Y226 VanDerWaalsContact O-CB 3.26Å; D222-Y226 WeakPolarHBondContact O-CB 3.47Å; D222-Y226 PolarHBondContact O-N 3.15Å; F223-Y226 PolarHBondContact O-N 3.39Å; Y226-T228 VanDerWaalsContact C-N 3.32Å; Y226-T228 PolarHBondContact O-N 3.06Å; Y226-Q229 PolarHBondContact O-N 2.78Å; Y226-I230 HydrophobicContact CD1-CD1 3.65Å; Y226-I230 HydrophobicContact CD2-CD1 4.38Å; Y226-I230 HydrophobicContact CE1-CD1 3.2Å; Y226-I230 HydrophobicContact CE1-CG1 4.44Å; Y226-I230 HydrophobicContact CE2-CD1 4Å; Y226-I230 HydrophobicContact CG-CD1 4.23Å; Y226-I230 WeakPolarHBondContact O-CG1 3.37Å; Y226-I230 PolarHBondContact O-N 2.59Å; Y226-I273 HydrophobicContact CE2-CG2 4.44Å; Y226-I273 WeakPolarHBondContact OH-CD1 3.5Å; Y226-I273 WeakPolarHBondContact OH-CG2 3.37Å
227Q53.1Low52Low48 Ų4891.7 Ų91.722%0.22449%0.488CS..Hα-helixtrans-60.9-41.1173.5-74.1-68.2-13.200111.9F223 A224 I230 A231 S294F223-Q227 HydrophobicContact CD1-CG 4.09Å; F223-Q227 HydrophobicContact CE1-CG 3.84Å; F223-Q227 HydrophobicContact CZ-CG 4.22Å; F223-Q227 WeakPolarHBondContact O-CB 3.49Å; F223-Q227 WeakPolarHBondContact O-CG 3.47Å; F223-Q227 PolarHBondContact O-N 3.46Å; A224-Q227 PolarHBondContact O-N 3.49Å; Q227-I230 PolarHBondContact O-N 2.87Å; Q227-A231 VanDerWaalsContact O-CB 3.24Å; Q227-A231 WeakPolarHBondContact O-CB 3.34Å; Q227-A231 PolarHBondContact O-N 3.19Å; Q227-S294 PolarHBondContact NE2-O 2.88Å; Q227-S294 VanDerWaalsContact NE2-O 3.07Å; Q227-S294 PolarHBondContact OE1-O 3.33Å; Q227-S294 PolarHBondContact OE1-OG 2.99Å
228T62.1Low51.8Low94 Ų9487.7 Ų87.758%0.57747%0.465SS*.Hα-helixtrans-69-38.7178.5-52.40000111.7A224 Q225 Y226 A231 A232A224-T228 VanDerWaalsContact O-CB 3.29Å; A224-T228 WeakPolarHBondContact O-CB 3.12Å; A224-T228 PolarHBondContact O-N 2.83Å; A224-T228 PolarHBondContact O-OG1 3.47Å; Q225-T228 PolarHBondContact O-N 2.94Å; Y226-T228 VanDerWaalsContact C-N 3.32Å; Y226-T228 PolarHBondContact O-N 3.06Å; T228-A231 PolarHBondContact O-N 2.81Å; T228-A232 VanDerWaalsContact O-CB 3.28Å; T228-A232 WeakPolarHBondContact O-CB 3.36Å; T228-A232 PolarHBondContact O-N 3.31Å
229Q56.1Low52.1Low123 Ų12387.2 Ų87.258%0.57547%0.471SS*.Hα-helixtrans-65.6-40.5174.9-75.3175.82800111.6Q225 Y226 A232 L233Q225-Q229 WeakPolarHBondContact O-CB 3.06Å; Q225-Q229 VanDerWaalsContact O-CG 3.24Å; Q225-Q229 WeakPolarHBondContact O-CG 3.4Å; Q225-Q229 PolarHBondContact O-N 3.08Å; Y226-Q229 PolarHBondContact O-N 2.78Å; Q229-A232 PolarHBondContact O-N 2.94Å; Q229-L233 VanDerWaalsContact O-CG 3.29Å; Q229-L233 WeakPolarHBondContact O-CG 3.43Å; Q229-L233 PolarHBondContact O-N 2.84Å
230I60Low52.1Low6 Ų690.8 Ų90.83%0.03148%0.482CS..Hα-helixtrans-69.6-43.7175.4-63.1165.8000111.1Y226 Q227 A232 L233 L234 H293 S294Y226-I230 HydrophobicContact CD1-CD1 3.65Å; Y226-I230 HydrophobicContact CD2-CD1 4.38Å; Y226-I230 HydrophobicContact CE1-CD1 3.2Å; Y226-I230 HydrophobicContact CE1-CG1 4.44Å; Y226-I230 HydrophobicContact CE2-CD1 4Å; Y226-I230 HydrophobicContact CG-CD1 4.23Å; Y226-I230 WeakPolarHBondContact O-CG1 3.37Å; Y226-I230 PolarHBondContact O-N 2.59Å; Q227-I230 PolarHBondContact O-N 2.87Å; I230-A232 VanDerWaalsContact C-N 3.27Å; I230-A232 PolarHBondContact O-N 3.39Å; I230-L233 WeakPolarHBondContact O-CB 3.47Å; I230-L233 PolarHBondContact O-N 3.23Å; I230-L233 VanDerWaalsContact O-N 3.09Å; I230-L234 HydrophobicContact CG2-CD1 3.83Å; I230-L234 HydrophobicContact CG2-CG 4.3Å; I230-L234 VanDerWaalsContact O-CG 3.29Å; I230-L234 WeakPolarHBondContact O-CG 3.34Å; I230-L234 PolarHBondContact O-N 3.46Å; I230-H293 HydrophobicContact CD1-CB 4.09Å; I230-S294 VanDerWaalsContact CG2-CB 3.48Å; I230-S294 WeakPolarHBondContact CG2-OG 3.49Å
231A58.1Low51.9Low25 Ų2586.9 Ų86.921%0.20748%0.481CS..Hα-helixtrans-60.2-37175.200000111.8Q227 T228 L234 H235Q227-A231 VanDerWaalsContact O-CB 3.24Å; Q227-A231 WeakPolarHBondContact O-CB 3.34Å; Q227-A231 PolarHBondContact O-N 3.19Å; T228-A231 PolarHBondContact O-N 2.81Å; A231-L234 PolarHBondContact O-N 3.49Å; A231-H235 VanDerWaalsContact O-CB 3.25Å; A231-H235 WeakPolarHBondContact O-CB 3.43Å; A231-H235 PolarHBondContact O-N 3.07Å; A231-H235 PolarHBondContact O-ND1 3.37Å; A231-H235 VanDerWaalsContact O-ND1 3.11Å
232A60.1Low51.6Low51 Ų5189.8 Ų89.842%0.42150%0.498SS..Hα-helixtrans-66.3-40173.300000112.1T228 Q229 I230 L234 H235 T236T228-A232 VanDerWaalsContact O-CB 3.28Å; T228-A232 WeakPolarHBondContact O-CB 3.36Å; T228-A232 PolarHBondContact O-N 3.31Å; Q229-A232 PolarHBondContact O-N 2.94Å; I230-A232 VanDerWaalsContact C-N 3.27Å; I230-A232 PolarHBondContact O-N 3.39Å; A232-L234 PolarHBondContact O-N 3.49Å; A232-H235 PolarHBondContact O-N 2.89Å; A232-T236 WeakPolarHBondContact O-CG2 3.25Å; A232-T236 PolarHBondContact O-N 3.4Å
233L61.2Low51.2Low127 Ų12789.2 Ų89.267%0.66550%0.504SS*.Hα-helixtrans-65.3-28173.4-69.2170.6000112.4Q229 I230Q229-L233 VanDerWaalsContact O-CG 3.29Å; Q229-L233 WeakPolarHBondContact O-CG 3.43Å; Q229-L233 PolarHBondContact O-N 2.84Å; I230-L233 WeakPolarHBondContact O-CB 3.47Å; I230-L233 PolarHBondContact O-N 3.23Å; I230-L233 VanDerWaalsContact O-N 3.09Å
234L56.2Low51.3Low48 Ų4895.6 Ų95.625%0.25152%0.524SS..Hα-helixtrans-85.9-32.6177.7-65.1172.6000113.3I230 A231 A232 E296I230-L234 HydrophobicContact CG2-CD1 3.83Å; I230-L234 HydrophobicContact CG2-CG 4.3Å; I230-L234 VanDerWaalsContact O-CG 3.29Å; I230-L234 WeakPolarHBondContact O-CG 3.34Å; I230-L234 PolarHBondContact O-N 3.46Å; A231-L234 PolarHBondContact O-N 3.49Å; A232-L234 PolarHBondContact O-N 3.49Å; L234-E296 VanDerWaalsContact CD1-OE2 3.23Å; L234-E296 WeakPolarHBondContact CD1-OE2 3.26Å
235H48.6Very low51Low135 Ų13596.2 Ų96.263%0.62552%0.515SS*.Hα-helixtrans-102.13.2-173-70.5123000116.6A231 A232 K237 E296A231-H235 VanDerWaalsContact O-CB 3.25Å; A231-H235 WeakPolarHBondContact O-CB 3.43Å; A231-H235 PolarHBondContact O-N 3.07Å; A231-H235 PolarHBondContact O-ND1 3.37Å; A231-H235 VanDerWaalsContact O-ND1 3.11Å; A232-H235 PolarHBondContact O-N 2.89Å; H235-K237 VanDerWaalsContact C-N 3.29Å; H235-K237 PolarHBondContact O-N 3.02Å; H235-E296 IonicContact CE1-OE1 3.86Å
236T46.5Very low50.5Low85 Ų8594.5 Ų94.552%0.52152%0.515SS..  trans-65.880.1179.444.90000114.2A232A232-T236 WeakPolarHBondContact O-CG2 3.25Å; A232-T236 PolarHBondContact O-N 3.4Å
237K49.3Very low50.2Low191 Ų191103.7 Ų103.783%0.8355%0.549SS*.  trans-101.973.7143.3-68.4-178.2-177.8177.50107.2H235H235-K237 VanDerWaalsContact C-N 3.29Å; H235-K237 PolarHBondContact O-N 3.02Å
238S38.8Very low49.9Very low49 Ų49111.6 Ų111.634%0.34358%0.577SS.*  trans-98.5146.8177.561.40000112.9
239P45.3Very low49.2Very low124 Ų124109.7 Ų109.781%0.80557%0.567SS**  trans-84.9116.5175.234-27.6000108.2
240L40.9Very low48.8Very low102 Ų102111.4 Ų111.453%0.53457%0.568SS.*  trans-130.6104.5164-96.294.4000107.4R245L240-R245 VanDerWaalsContact CG-NH2 3.34Å
241A43.3Very low48.4Very low93 Ų93114.6 Ų114.677%0.76959%0.59SS**THydrogen-bonded Turntrans-58.9132.7160.200000109
242T46.2Very low47.6Very low148 Ų148119.5 Ų119.591%0.90862%0.62SS**THydrogen-bonded Turntrans67.136.7157.2-14.10000120
243A44.3Very low46.8Very low60 Ų60123.2 Ų123.250%0.49663%0.633SS.*  trans-123.6120150.900000108.7R245A243-R245 PolarHBondContact O-N 3.29Å
244R48.6Very low45.7Very low267 Ų267121.6 Ų121.6100%1.00863%0.631SS**  trans-63.186.1176.2-77.6-171.4-173.5-139.42.2109.4
245R46.8Very low45.1Very low64 Ų64127.4 Ų127.424%0.24266%0.656CS.*  trans-67.9134.1170.9-118.3168.4-78.4-114.3-29.1108.6L240 A243 R247 R250L240-R245 VanDerWaalsContact CG-NH2 3.34Å; A243-R245 PolarHBondContact O-N 3.29Å; R245-R247 PolarHBondContact O-N 3.21Å; R245-R247 VanDerWaalsContact O-N 3.08Å; R245-R250 HydrophobicContact CG-CG 4.44Å
246C41.5Very low45.1Very low75 Ų75126.3 Ų126.351%0.50766%0.664SS.*  trans-55.7118.4169.5179.30000109.1R248 C249 R250C246-R248 PolarHBondContact O-N 2.83Å; C246-C249 PolarHBondContact O-N 3.3Å; C246-C249 VanDerWaalsContact SG-SG 3.67Å; C246-R250 PolarHBondContact O-N 3.25Å; C246-R250 VanDerWaalsContact O-N 3.17Å
247R47.1Very low44.6Very low263 Ų263127.2 Ų127.299%0.99267%0.674SS**THydrogen-bonded Turntrans-59.3-12.2-174.6-66.5-172.3-167.4-136.34113.2R245R245-R247 PolarHBondContact O-N 3.21Å; R245-R247 VanDerWaalsContact O-N 3.08Å
248R46.2Very low44.3Very low213 Ų213124.1 Ų124.180%0.80467%0.671SS**THydrogen-bonded Turntrans-93.6-24.1-176.4-159.465.9173-172.9-1.7114.8C246C246-R248 PolarHBondContact O-N 2.83Å
249C47.8Very low44.3Very low55 Ų55126.6 Ų126.637%0.37269%0.688SS.*THydrogen-bonded Turntrans-137.9-14.9-170.933.50000115.8C246 C251C246-C249 PolarHBondContact O-N 3.3Å; C246-C249 VanDerWaalsContact SG-SG 3.67Å; C249-C251 PolarHBondContact O-N 3.48Å; C249-C251 PolarHBondContact O-SG 3.5Å; C249-C251 VanDerWaalsContact O-SG 3.38Å
250R47.8Very low43.8Very low159 Ų159125.5 Ų125.560%0.668%0.684SS**  trans52.621.3171.9-137.7175.8-131.9-119.12116R245 C246R245-R250 HydrophobicContact CG-CG 4.44Å; C246-R250 PolarHBondContact O-N 3.25Å; C246-R250 VanDerWaalsContact O-N 3.17Å
251C52Low43.9Very low72 Ų72128.3 Ų128.349%0.48670%0.699SS.*  trans-87148.3174.7-60.40000111.9C249C249-C251 PolarHBondContact O-N 3.48Å; C249-C251 PolarHBondContact O-SG 3.5Å; C249-C251 VanDerWaalsContact O-SG 3.38Å
252P42.1Very low44.3Very low128 Ų128130.4 Ų130.483%0.83169%0.693SS**SBendtrans-80.6-13.3178.728.7-30.9000114.7
253N42.3Very low44.2Very low130 Ų130129.3 Ų129.370%0.69569%0.689SS**  trans-144.199.6176.9-158.9-0.2000109.9
254C37.7Very low45.1Very low92 Ų92129.9 Ų129.962%0.62270%0.7SS**  trans-117.992.4175.8-170.40000107S256C254-S256 PolarHBondContact O-N 3.46Å
255Q43.1Very low45.6Very low170 Ų170126.2 Ų126.279%0.79469%0.692SS**  trans-68.8110.2160.7-69.4-172.2600106.6S257Q255-S257 PolarHBondContact O-N 3.14Å; Q255-S257 VanDerWaalsContact O-N 3.09Å
256S48.5Very low46.7Very low112 Ų112132.1 Ų132.178%0.78372%0.719SS**  trans-55.310817446.10000110C254C254-S256 PolarHBondContact O-N 3.46Å
257S37.9Very low48.2Very low104 Ų104135 Ų13573%0.72772%0.723SS**  trans-101.697154.338.50000107.9Q255Q255-S257 PolarHBondContact O-N 3.14Å; Q255-S257 VanDerWaalsContact O-N 3.09Å
258T42.9Very low49.9Very low127 Ų127128.9 Ų128.978%0.77971%0.706SS**  trans41.285.8147.4610000115.9
259S37.8Very low51.6Low100 Ų100120.9 Ų120.970%0.69968%0.677SS**  trans-103.891.4145.261.50000107.2D261S259-D261 PolarHBondContact O-N 3.4Å
260S35.2Very low53.3Low101 Ų101122 Ų12271%0.70668%0.679SS**  trans-48.1124151.4-40.20000107.2E262S260-E262 PolarHBondContact O-N 3.29Å
261D43.1Very low55Low161 Ų161114.6 Ų114.686%0.86165%0.652SS**  trans-65.678.9175-72.6-67.1000109.8S259S259-D261 PolarHBondContact O-N 3.4Å
262E50.4Low56.4Low137 Ų137119 Ų11964%0.6467%0.665SS**  trans-98.9112.9167.6-93.6-66.8130.800108.7S260 G264S260-E262 PolarHBondContact O-N 3.29Å; E262-G264 VanDerWaalsContact C-N 3.33Å; E262-G264 PolarHBondContact O-N 2.97Å
263P45.9Very low58Low126 Ų126114.1 Ų114.182%0.81863%0.631SS**THydrogen-bonded Turntrans-70.286.9-179.127.8-31.6000110.3
264G61.9Low59.2Low72 Ų72113.7 Ų113.774%0.74264%0.636SS**THydrogen-bonded Turntrans165.6-19.3175.100000116.4E262 K266E262-G264 VanDerWaalsContact C-N 3.33Å; E262-G264 PolarHBondContact O-N 2.97Å; G264-K266 PolarHBondContact O-N 2.71Å
265K59Low60.7Low190 Ų190113.9 Ų113.983%0.82665%0.653SS**  trans-84.5107.1179.9-81.4176.2-178.8174.10111.6K267K265-K267 PolarHBondContact O-N 2.96Å
266K70.3Confident62.5Low187 Ų187106.9 Ų106.981%0.81362%0.623SS**PPolyproline II helixtrans-58.7120173-66.3174.3-1761690109.4G264 Q268G264-K266 PolarHBondContact O-N 2.71Å; K266-Q268 PolarHBondContact O-N 3.18Å
267K72.5Confident63.9Low137 Ų137104 Ų10460%0.59661%0.61SS**PPolyproline II helixtrans-60.1121.6178-166.7165.7-173.7164.90110.1K265K265-K267 PolarHBondContact O-N 2.96Å
268Q82.8Confident65.8Low133 Ų133104.1 Ų104.162%0.62160%0.598SS**PPolyproline II helixtrans-90.3152.8179.5-65.3-178.3-5.600111K266 V279 Y280K266-Q268 PolarHBondContact O-N 3.18Å; Q268-V279 HydrophobicContact CB-CG1 3.68Å; Q268-V279 HydrophobicContact CG-CG1 4.17Å; Q268-Y280 CarbonylContact C-O 3.21Å
269H82Confident67.8Low46 Ų46101.4 Ų101.421%0.21358%0.581CS.*EExtended strand (participates in β ladder)trans-124.5111.5-176.6-63.3-72.6000109.2Y280 T283 L286H269-Y280 WeakPolarHBondContact CA-O 3.49Å; H269-Y280 WeakPolarHBondContact CB-O 3.35Å; H269-Y280 PolarHBondContact N-O 2.83Å; H269-Y280 PolarHBondContact O-N 2.66Å; H269-T283 PolarHBondContact CD2-N 2.85Å; H269-T283 VanDerWaalsContact CD2-N 3.28Å; H269-T283 WeakPolarHBondContact CE1-CG2 3.29Å; H269-T283 VanDerWaalsContact NE2-CG2 3.32Å; H269-T283 WeakPolarHBondContact NE2-CG2 3.29Å; H269-L286 HydrophobicContact CB-CB 4.02Å; H269-L286 HydrophobicContact CB-CD2 3.79Å; H269-L286 HydrophobicContact CB-CG 4.49Å
270I83.1Confident70Confident78 Ų7899 Ų9940%0.456%0.557SS.*EExtended strand (participates in β ladder)trans-100.5139.9-171.5-52.1175.5000109.6K278 V279I270-K278 CarbonylContact C-O 3.55Å; I270-V279 HydrophobicContact CG1-CG1 4.05Å; I270-V279 HydrophobicContact CG1-CG2 4Å; I270-V279 HydrophobicContact CG2-CG2 4.28Å
271C84.8Confident72.4Confident4 Ų496.7 Ų96.73%0.02755%0.549CS..  trans-78.8116.7168.3-172.50000109.4I273 K278 L286 H289C271-I273 VanDerWaalsContact C-N 3.3Å; C271-K278 HydrophobicContact CB-CB 4.47Å; C271-K278 WeakPolarHBondContact CB-O 3.45Å; C271-K278 PolarHBondContact N-O 3.25Å; C271-L286 HydrophobicContact CB-CD1 3.88Å; C271-H289 PolarHBondContact SG-NE2 3.16Å
272H80.5Confident74.3Confident165 Ų16595.1 Ų95.176%0.76453%0.534SS*.  trans-90.59.7-179.2-63.9-32.4000113.7
273I77.2Confident75.7Confident24 Ų2492.3 Ų92.312%0.12353%0.527CS..SBendtrans-70.4127.1176.3-69.2168.3000108.6Y226 C271 G275 C276 L290 H293Y226-I273 HydrophobicContact CE2-CG2 4.44Å; Y226-I273 WeakPolarHBondContact OH-CD1 3.5Å; Y226-I273 WeakPolarHBondContact OH-CG2 3.37Å; C271-I273 VanDerWaalsContact C-N 3.3Å; I273-G275 PolarHBondContact O-N 3.3Å; I273-C276 HydrophobicContact CB-CB 4.26Å; I273-C276 HydrophobicContact CG2-CB 4.45Å; I273-C276 PolarHBondContact O-N 3.38Å; I273-L290 HydrophobicContact CD1-CD2 3.63Å; I273-L290 HydrophobicContact CG1-CD2 4.45Å; I273-H293 HydrophobicContact CD1-CB 3.54Å; I273-H293 WeakPolarHBondContact CD1-CD2 3.44Å
274P66.2Low77.3Confident122 Ų12289.5 Ų89.579%0.79251%0.51SS*.THydrogen-bonded Turntrans-57128.1-178.921.7-31.6000110.1
275G69.7Low78.3Confident95 Ų9590.6 Ų90.698%0.97950%0.496SS*.THydrogen-bonded Turntrans87.4-3.1-177.200000116.2I273I273-G275 PolarHBondContact O-N 3.3Å
276C80.1Confident79.4Confident24 Ų2482.9 Ų82.916%0.16246%0.463CS..THydrogen-bonded Turntrans-100.3-54.1179.1-171.40000113.9I273 K278 H289 H293I273-C276 HydrophobicContact CB-CB 4.26Å; I273-C276 HydrophobicContact CG2-CB 4.45Å; I273-C276 PolarHBondContact O-N 3.38Å; C276-K278 PolarHBondContact O-N 3.47Å; C276-H289 PolarHBondContact SG-CE1 3.43Å; C276-H289 PolarHBondContact SG-NE2 3.22Å; C276-H293 PolarHBondContact SG-NE2 2.84Å
277G77.4Confident79.7Confident51 Ų5180 Ų8053%0.52645%0.451SS..  trans595.4174.800000117.3
278K78.4Confident80Confident106 Ų10674.4 Ų74.446%0.46143%0.43SS..  trans-68.8138.8-172.8-68.2-177.3-173.8-177.20112.6I270 C271 C276 Y280I270-K278 CarbonylContact C-O 3.55Å; C271-K278 HydrophobicContact CB-CB 4.47Å; C271-K278 WeakPolarHBondContact CB-O 3.45Å; C271-K278 PolarHBondContact N-O 3.25Å; C276-K278 PolarHBondContact O-N 3.47Å; K278-Y280 HydrophobicContact CB-CE2 3.68Å; K278-Y280 WeakPolarHBondContact CD-OH 3.29Å
279V85.2Confident79.9Confident71 Ų7169 Ų6943%0.4340%0.404SS..EExtended strand (participates in β ladder)trans-114135-177.7-171.60000111.2Q268 I270Q268-V279 HydrophobicContact CB-CG1 3.68Å; Q268-V279 HydrophobicContact CG-CG1 4.17Å; I270-V279 HydrophobicContact CG1-CG1 4.05Å; I270-V279 HydrophobicContact CG1-CG2 4Å; I270-V279 HydrophobicContact CG2-CG2 4.28Å
280Y84.9Confident79.7Confident49 Ų4968.1 Ų68.119%0.19240%0.401CS..EExtended strand (participates in β ladder)trans-127135.3-175.9-62.2-81.5000111.5Q268 H269 K278 K282 H285 L286 H289Q268-Y280 CarbonylContact C-O 3.21Å; H269-Y280 WeakPolarHBondContact CA-O 3.49Å; H269-Y280 WeakPolarHBondContact CB-O 3.35Å; H269-Y280 PolarHBondContact N-O 2.83Å; H269-Y280 PolarHBondContact O-N 2.66Å; K278-Y280 HydrophobicContact CB-CE2 3.68Å; K278-Y280 WeakPolarHBondContact CD-OH 3.29Å; Y280-K282 PolarHBondContact O-N 3.16Å; Y280-H285 HydrophobicContact CD1-CB 3.66Å; Y280-H285 HydrophobicContact CE1-CB 4.47Å; Y280-H285 HydrophobicContact CG-CB 4.12Å; Y280-L286 HydrophobicContact CD2-CB 3.92Å; Y280-L286 HydrophobicContact CD2-CD1 3.73Å; Y280-L286 HydrophobicContact CD2-CG 4.44Å; Y280-L286 HydrophobicContact CE2-CD1 4.04Å; Y280-L286 HydrophobicContact CG-CB 4.28Å; Y280-H289 HydrophobicContact CE1-CB 4.24Å; Y280-H289 HydrophobicContact CE2-CB 3.76Å; Y280-H289 AromaticContact CE2-CD2 3.49Å; Y280-H289 VanDerWaalsContact CE2-CD2 3.49Å; Y280-H289 WeakPolarHBondContact CE2-CD2 3.44Å; Y280-H289 AromaticContact CE2-CG 3.63Å; Y280-H289 AromaticContact CZ-CD2 3.86Å; Y280-H289 AromaticContact CZ-CG 3.52Å; Y280-H289 WeakPolarHBondContact OH-CB 3.42Å; Y280-H289 PolarHBondContact OH-ND1 2.73Å; Y280-H289 VanDerWaalsContact OH-ND1 3.16Å
281G84.9Confident79.5Confident52 Ų5267.4 Ų67.454%0.53639%0.393SS..SBendtrans-75.1-5.7175.300000115.1
282K82.3Confident78.8Confident128 Ų12875.7 Ų75.756%0.55742%0.424SS*.SBendtrans-138.2140.4180-65.4-176.1-178179.50111.1Y280 S284 H285 L286Y280-K282 PolarHBondContact O-N 3.16Å; K282-S284 VanDerWaalsContact C-N 3.27Å; K282-S284 PolarHBondContact O-N 3.31Å; K282-H285 PolarHBondContact O-N 2.7Å; K282-L286 PolarHBondContact O-N 3.14Å
283T79.9Confident78.5Confident79 Ų7969.3 Ų69.349%0.48540%0.395SS..Hα-helixtrans-57.9-37.2174.8510000112.9H269 H285 L286 K287H269-T283 PolarHBondContact CD2-N 2.85Å; H269-T283 VanDerWaalsContact CD2-N 3.28Å; H269-T283 WeakPolarHBondContact CE1-CG2 3.29Å; H269-T283 VanDerWaalsContact NE2-CG2 3.32Å; H269-T283 WeakPolarHBondContact NE2-CG2 3.29Å; T283-H285 VanDerWaalsContact C-N 3.29Å; T283-H285 PolarHBondContact O-N 3.27Å; T283-L286 PolarHBondContact O-N 3.28Å; T283-K287 WeakPolarHBondContact O-CG 3.36Å; T283-K287 PolarHBondContact O-N 3.33Å
284S80.2Confident78.2Confident66 Ų6668.5 Ų68.546%0.46239%0.391SS..Hα-helixtrans-62.7-35.9179.455.10000112.5K282 A288K282-S284 VanDerWaalsContact C-N 3.27Å; K282-S284 PolarHBondContact O-N 3.31Å; S284-A288 WeakPolarHBondContact O-CB 3.49Å; S284-A288 PolarHBondContact O-N 2.82Å
285H82.3Confident78.3Confident96 Ų9665.1 Ų65.144%0.44438%0.378SS..Hα-helixtrans-73.7-41.7178.4-62.8176.7000111.4Y280 K282 T283 K287 A288 H289Y280-H285 HydrophobicContact CD1-CB 3.66Å; Y280-H285 HydrophobicContact CE1-CB 4.47Å; Y280-H285 HydrophobicContact CG-CB 4.12Å; K282-H285 PolarHBondContact O-N 2.7Å; T283-H285 VanDerWaalsContact C-N 3.29Å; T283-H285 PolarHBondContact O-N 3.27Å; H285-K287 PolarHBondContact O-N 2.85Å; H285-A288 PolarHBondContact O-N 3.36Å; H285-H289 WeakPolarHBondContact O-CB 3.32Å; H285-H289 PolarHBondContact O-N 3.5Å
286L81.8Confident78.4Confident27 Ų2763.3 Ų63.314%0.14135%0.345CS..Hα-helixtrans-59.8-46.3172.7177.264.3000110.7H269 C271 Y280 K282 T283 A288 H289 L290H269-L286 HydrophobicContact CB-CB 4.02Å; H269-L286 HydrophobicContact CB-CD2 3.79Å; H269-L286 HydrophobicContact CB-CG 4.49Å; C271-L286 HydrophobicContact CB-CD1 3.88Å; Y280-L286 HydrophobicContact CD2-CB 3.92Å; Y280-L286 HydrophobicContact CD2-CD1 3.73Å; Y280-L286 HydrophobicContact CD2-CG 4.44Å; Y280-L286 HydrophobicContact CE2-CD1 4.04Å; Y280-L286 HydrophobicContact CG-CB 4.28Å; K282-L286 PolarHBondContact O-N 3.14Å; T283-L286 PolarHBondContact O-N 3.28Å; L286-A288 PolarHBondContact O-N 3.29Å; L286-H289 WeakPolarHBondContact O-CB 3.32Å; L286-H289 PolarHBondContact O-N 3.2Å; L286-H289 VanDerWaalsContact O-N 3.14Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.24Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CG 3.44Å; L286-L290 PolarHBondContact O-N 3.39Å
287K78.6Confident78.2Confident127 Ų12767.7 Ų67.755%0.55236%0.358SS*.Hα-helixtrans-60.1-43.3176.8-74.6-176.3179.2-170.90112.9T283 H285 H289 L290 R291T283-K287 WeakPolarHBondContact O-CG 3.36Å; T283-K287 PolarHBondContact O-N 3.33Å; H285-K287 PolarHBondContact O-N 2.85Å; K287-H289 VanDerWaalsContact C-N 3.3Å; K287-H289 PolarHBondContact O-N 3.13Å; K287-L290 PolarHBondContact O-N 3.09Å; K287-R291 PolarHBondContact O-N 3.02Å
288A77.9Confident78.2Confident19 Ų1968.7 Ų68.716%0.15736%0.355CS..Hα-helixtrans-63.8-37.8175.500000111.8S284 H285 L286 R291 R312S284-A288 WeakPolarHBondContact O-CB 3.49Å; S284-A288 PolarHBondContact O-N 2.82Å; H285-A288 PolarHBondContact O-N 3.36Å; L286-A288 PolarHBondContact O-N 3.29Å; A288-R291 WeakPolarHBondContact O-CB 3.28Å; A288-R291 PolarHBondContact O-N 3.19Å; A288-R312 HydrophobicContact CB-CG 4.13Å
289H81.4Confident78.3Confident19 Ų1966.4 Ų66.49%0.08835%0.345CS..Hα-helixtrans-66.6-40.517516761.7000112.5C271 C276 Y280 H285 L286 K287 R291 W292 H293C271-H289 PolarHBondContact SG-NE2 3.16Å; C276-H289 PolarHBondContact SG-CE1 3.43Å; C276-H289 PolarHBondContact SG-NE2 3.22Å; Y280-H289 HydrophobicContact CE1-CB 4.24Å; Y280-H289 HydrophobicContact CE2-CB 3.76Å; Y280-H289 AromaticContact CE2-CD2 3.49Å; Y280-H289 VanDerWaalsContact CE2-CD2 3.49Å; Y280-H289 WeakPolarHBondContact CE2-CD2 3.44Å; Y280-H289 AromaticContact CE2-CG 3.63Å; Y280-H289 AromaticContact CZ-CD2 3.86Å; Y280-H289 AromaticContact CZ-CG 3.52Å; Y280-H289 WeakPolarHBondContact OH-CB 3.42Å; Y280-H289 PolarHBondContact OH-ND1 2.73Å; Y280-H289 VanDerWaalsContact OH-ND1 3.16Å; H285-H289 WeakPolarHBondContact O-CB 3.32Å; H285-H289 PolarHBondContact O-N 3.5Å; L286-H289 WeakPolarHBondContact O-CB 3.32Å; L286-H289 PolarHBondContact O-N 3.2Å; L286-H289 VanDerWaalsContact O-N 3.14Å; K287-H289 VanDerWaalsContact C-N 3.3Å; K287-H289 PolarHBondContact O-N 3.13Å; H289-R291 PolarHBondContact O-N 3.22Å; H289-W292 WeakPolarHBondContact O-CB 3.13Å; H289-W292 PolarHBondContact O-N 3.13Å; H289-H293 AromaticContact CE1-CD2 3.74Å; H289-H293 AromaticContact CE1-NE2 3.36Å; H289-H293 PolarHBondContact CE1-NE2 3.49Å; H289-H293 AromaticContact NE2-CD2 3.62Å; H289-H293 AromaticContact NE2-NE2 3.27Å; H289-H293 PolarHBondContact NE2-NE2 3.37Å
290L77.5Confident78.2Confident28 Ų2867 Ų6715%0.14735%0.348CS..Hα-helixtrans-61.3-27.3176.9-69.4173.2000112.7I273 L286 K287 W292 H293 S294I273-L290 HydrophobicContact CD1-CD2 3.63Å; I273-L290 HydrophobicContact CG1-CD2 4.45Å; L286-L290 HydrophobicContact CD1-CG 4.31Å; L286-L290 HydrophobicContact CG-CD1 4.24Å; L286-L290 HydrophobicContact CG-CG 4.42Å; L286-L290 WeakPolarHBondContact O-CG 3.44Å; L286-L290 PolarHBondContact O-N 3.39Å; K287-L290 PolarHBondContact O-N 3.09Å; L290-W292 PolarHBondContact O-N 3.16Å; L290-H293 WeakPolarHBondContact O-CB 3.49Å; L290-H293 PolarHBondContact O-N 2.95Å; L290-H293 VanDerWaalsContact O-N 3.08Å; L290-S294 PolarHBondContact O-N 3.4Å
291R77.6Confident78.3Confident63 Ų6364.8 Ų64.824%0.23834%0.34CS..Hα-helixtrans-64.3-25.2172.1-66.8176-175.8155.70.7113.4K287 A288 H289 H293 G295 E296 T311K287-R291 PolarHBondContact O-N 3.02Å; A288-R291 WeakPolarHBondContact O-CB 3.28Å; A288-R291 PolarHBondContact O-N 3.19Å; H289-R291 PolarHBondContact O-N 3.22Å; R291-H293 VanDerWaalsContact C-N 3.33Å; R291-G295 WeakPolarHBondContact O-CA 3.39Å; R291-G295 PolarHBondContact O-N 2.79Å; R291-E296 PolarHBondContact O-N 3.18Å; R291-T311 HydrophobicContact CB-CG2 4.21Å; R291-T311 VanDerWaalsContact CD-O 3.26Å; R291-T311 WeakPolarHBondContact CD-O 3.49Å; R291-T311 PolarHBondContact NH1-O 2.76Å
292W71Confident78.1Confident179 Ų17970 Ų7068%0.67836%0.356SS*.Hα-helixtrans-66.5-38171.9-179.178.8000111.4H289 L290H289-W292 WeakPolarHBondContact O-CB 3.13Å; H289-W292 PolarHBondContact O-N 3.13Å; L290-W292 PolarHBondContact O-N 3.16Å
293H73.9Confident78.1Confident31 Ų3170 Ų7014%0.14435%0.353CS..Hα-helixtrans-75-37.5176.1-70.6-75.5000113I230 I273 C276 H289 L290 R291I230-H293 HydrophobicContact CD1-CB 4.09Å; I273-H293 HydrophobicContact CD1-CB 3.54Å; I273-H293 WeakPolarHBondContact CD1-CD2 3.44Å; C276-H293 PolarHBondContact SG-NE2 2.84Å; H289-H293 AromaticContact CE1-CD2 3.74Å; H289-H293 AromaticContact CE1-NE2 3.36Å; H289-H293 PolarHBondContact CE1-NE2 3.49Å; H289-H293 AromaticContact NE2-CD2 3.62Å; H289-H293 AromaticContact NE2-NE2 3.27Å; H289-H293 PolarHBondContact NE2-NE2 3.37Å; L290-H293 WeakPolarHBondContact O-CB 3.49Å; L290-H293 PolarHBondContact O-N 2.95Å; L290-H293 VanDerWaalsContact O-N 3.08Å; R291-H293 VanDerWaalsContact C-N 3.33Å
294S71.1Confident77.8Confident6 Ų673.5 Ų73.54%0.04237%0.367CS..Hα-helixtrans-76-24.8177.5-150.20000113Q227 I230 L290 E296Q227-S294 PolarHBondContact NE2-O 2.88Å; Q227-S294 VanDerWaalsContact NE2-O 3.07Å; Q227-S294 PolarHBondContact OE1-O 3.33Å; Q227-S294 PolarHBondContact OE1-OG 2.99Å; I230-S294 VanDerWaalsContact CG2-CB 3.48Å; I230-S294 WeakPolarHBondContact CG2-OG 3.49Å; L290-S294 PolarHBondContact O-N 3.4Å; S294-E296 PolarHBondContact O-N 3.07Å
295G68.6Low77.7Confident51 Ų5179.2 Ų79.253%0.52638%0.384SS..  trans70.86.1-167.700000113.9R291 R297R291-G295 WeakPolarHBondContact O-CA 3.39Å; R291-G295 PolarHBondContact O-N 2.79Å; G295-R297 PolarHBondContact O-N 2.78Å
296E71.9Confident77.9Confident58 Ų5875.9 Ų75.927%0.27137%0.372SS..  trans-65.4121.4175.3-78.9-172-177.700111.1L234 H235 R291 S294 P298L234-E296 VanDerWaalsContact CD1-OE2 3.23Å; L234-E296 WeakPolarHBondContact CD1-OE2 3.26Å; H235-E296 IonicContact CE1-OE1 3.86Å; R291-E296 PolarHBondContact O-N 3.18Å; S294-E296 PolarHBondContact O-N 3.07Å; E296-P298 VanDerWaalsContact C-CD 3.47Å; E296-P298 VanDerWaalsContact O-CD 3.27Å; E296-P298 WeakPolarHBondContact O-CD 3.36Å
297R76.4Confident77.7Confident116 Ų11677.3 Ų77.344%0.43839%0.393SS..  trans-120.675.5179.9-64.4172.282101.92.3110G295 F299 S309 F310 T311G295-R297 PolarHBondContact O-N 2.78Å; R297-F299 PolarHBondContact O-N 3.08Å; R297-F299 VanDerWaalsContact O-N 3.14Å; R297-S309 VanDerWaalsContact CB-CB 3.47Å; R297-S309 WeakPolarHBondContact CB-OG 3.42Å; R297-S309 WeakPolarHBondContact CD-OG 3.42Å; R297-S309 VanDerWaalsContact NE-C 3.3Å; R297-S309 PolarHBondContact NE-O 3.23Å; R297-S309 PolarHBondContact NE-OG 2.92Å; R297-S309 VanDerWaalsContact NE-OG 3.11Å; R297-S309 PolarHBondContact NH2-O 3.17Å; R297-F310 CarbonylContact C-O 3.41Å; R297-F310 VanDerWaalsContact CA-O 3.26Å; R297-F310 WeakPolarHBondContact CA-O 3.34Å; R297-T311 HydrophobicContact CG-CG2 4.04Å
298P76.9Confident77.8Confident71 Ų7177 Ų7746%0.46139%0.391SS..  trans-69.1-11.3-172.326.4-34.2000114.1E296E296-P298 VanDerWaalsContact C-CD 3.47Å; E296-P298 VanDerWaalsContact O-CD 3.27Å; E296-P298 WeakPolarHBondContact O-CD 3.36Å
299F81.1Confident78.1Confident59 Ų5977.7 Ų77.726%0.25940%0.395SS..EExtended strand (participates in β ladder)trans-105.597.8-176.6-59.6-76.2000110.8R297 S309 F310 T311 L316R297-F299 PolarHBondContact O-N 3.08Å; R297-F299 VanDerWaalsContact O-N 3.14Å; F299-S309 CarbonylContact O-C 3.45Å; F299-S309 VanDerWaalsContact O-CA 3.29Å; F299-S309 WeakPolarHBondContact O-CA 3.43Å; F299-F310 HydrophobicContact CB-CB 4.24Å; F299-F310 WeakPolarHBondContact CB-O 3.37Å; F299-F310 PolarHBondContact N-O 3.34Å; F299-F310 VanDerWaalsContact N-O 3.07Å; F299-F310 PolarHBondContact O-N 2.91Å; F299-T311 WeakPolarHBondContact CE2-O 3.47Å; F299-L316 HydrophobicContact CB-CB 3.93Å; F299-L316 HydrophobicContact CB-CD2 3.84Å; F299-L316 HydrophobicContact CB-CG 4.47Å
300V81.4Confident78.2Confident82 Ų8277.6 Ų77.650%0.49740%0.395SS..EExtended strand (participates in β ladder)trans-96.1138.1-177.6-169.80000111.3N302V300-N302 PolarHBondContact O-N 3.28Å
301C87.1Confident78.2Confident3 Ų377.4 Ų77.42%0.0240%0.395CS..  trans-69.3114.9168.7-173.30000108.8W303 C306 K308 L316 H319 H323C301-W303 PolarHBondContact O-N 3.27Å; C301-C306 HydrophobicContact CB-CB 4.29Å; C301-K308 HydrophobicContact CB-CB 4.4Å; C301-K308 VanDerWaalsContact CB-O 3.23Å; C301-K308 WeakPolarHBondContact CB-O 3.31Å; C301-K308 PolarHBondContact N-O 2.9Å; C301-L316 HydrophobicContact CB-CD1 4.03Å; C301-H319 PolarHBondContact SG-NE2 2.86Å; C301-H323 PolarHBondContact SG-NE2 3.3Å; C301-H323 VanDerWaalsContact SG-NE2 3.4Å
302N82Confident78.3Confident162 Ų16280 Ų8087%0.86640%0.404SS*.  trans-79.46.3-178.9-156.638.9000113.2V300 L304V300-N302 PolarHBondContact O-N 3.28Å; N302-L304 PolarHBondContact O-N 3.31Å
303W80.9Confident78.8Confident129 Ų12974.6 Ų74.649%0.48939%0.393SS..  trans-72.2124.8174.6-163.6-77.4000109.4C301 F305 C306 H323C301-W303 PolarHBondContact O-N 3.27Å; W303-F305 PolarHBondContact O-N 3.09Å; W303-C306 HydrophobicContact CB-CB 3.89Å; W303-C306 PolarHBondContact O-N 3.47Å; W303-H323 AromaticContact CD1-CE1 3.93Å; W303-H323 AromaticContact CD1-ND1 3.95Å; W303-H323 HydrophobicContact CD2-CB 4.08Å; W303-H323 AromaticContact CD2-CG 3.79Å; W303-H323 AromaticContact CD2-ND1 3.64Å; W303-H323 AromaticContact CE2-ND1 3.91Å; W303-H323 HydrophobicContact CE3-CB 3.63Å; W303-H323 AromaticContact CE3-CG 3.77Å; W303-H323 AromaticContact CG-CE1 3.74Å; W303-H323 AromaticContact CG-ND1 3.69Å; W303-H323 HydrophobicContact CH2-CB 4.23Å; W303-H323 HydrophobicContact CZ3-CB 3.72Å
304L75Confident79.3Confident152 Ų15275.9 Ų75.980%0.79640%0.402SS*.THydrogen-bonded Turntrans-52.8-36.6-165.7-171.663.1000114.2N302N302-L304 PolarHBondContact O-N 3.31Å
305F78.1Confident79.9Confident185 Ų18578.3 Ų78.381%0.81141%0.412SS*.THydrogen-bonded Turntrans-981.7-178.9-53.6-73.9000114.5W303W303-F305 PolarHBondContact O-N 3.09Å
306C86.2Confident80.7Confident27 Ų2777 Ų7718%0.18239%0.393CS..THydrogen-bonded Turntrans-97-52.5-173.8-1650000113.3C301 W303 K308 H319 H323C301-C306 HydrophobicContact CB-CB 4.29Å; W303-C306 HydrophobicContact CB-CB 3.89Å; W303-C306 PolarHBondContact O-N 3.47Å; C306-K308 PolarHBondContact O-N 3.06Å; C306-K308 VanDerWaalsContact SG-CG 3.55Å; C306-H319 PolarHBondContact SG-CE1 3.32Å; C306-H319 PolarHBondContact SG-NE2 2.92Å; C306-H323 PolarHBondContact SG-NE2 2.82Å
307G76.4Confident81.3Confident57 Ų5779.4 Ų79.459%0.58840%0.404SS*.  trans57.85-179.700000116.3S309G307-S309 PolarHBondContact O-N 3.35Å
308K82.5Confident81.7Confident119 Ų11977.3 Ų77.352%0.51740%0.396SS..  trans-71.1126.6-175.3-71-179.5-172.3-179.90110.7C301 C306 F310C301-K308 HydrophobicContact CB-CB 4.4Å; C301-K308 VanDerWaalsContact CB-O 3.23Å; C301-K308 WeakPolarHBondContact CB-O 3.31Å; C301-K308 PolarHBondContact N-O 2.9Å; C306-K308 PolarHBondContact O-N 3.06Å; C306-K308 VanDerWaalsContact SG-CG 3.55Å; K308-F310 HydrophobicContact CB-CE2 3.92Å; K308-F310 HydrophobicContact CB-CZ 3.91Å
309S82.3Confident82.2Confident34 Ų3474.8 Ų74.824%0.23838%0.378CS..EExtended strand (participates in β ladder)trans-100.8159.5175.262.20000111.3R297 F299 G307R297-S309 VanDerWaalsContact CB-CB 3.47Å; R297-S309 WeakPolarHBondContact CB-OG 3.42Å; R297-S309 WeakPolarHBondContact CD-OG 3.42Å; R297-S309 VanDerWaalsContact NE-C 3.3Å; R297-S309 PolarHBondContact NE-O 3.23Å; R297-S309 PolarHBondContact NE-OG 2.92Å; R297-S309 VanDerWaalsContact NE-OG 3.11Å; R297-S309 PolarHBondContact NH2-O 3.17Å; F299-S309 CarbonylContact O-C 3.45Å; F299-S309 VanDerWaalsContact O-CA 3.29Å; F299-S309 WeakPolarHBondContact O-CA 3.43Å; G307-S309 PolarHBondContact O-N 3.35Å
310F83.7Confident82.3Confident18 Ų1874.6 Ų74.68%0.07938%0.38CS..EExtended strand (participates in β ladder)trans-141.9154.9-178.2-59.1-81.5000111.2R297 F299 K308 E315 L316 H319R297-F310 CarbonylContact C-O 3.41Å; R297-F310 VanDerWaalsContact CA-O 3.26Å; R297-F310 WeakPolarHBondContact CA-O 3.34Å; F299-F310 HydrophobicContact CB-CB 4.24Å; F299-F310 WeakPolarHBondContact CB-O 3.37Å; F299-F310 PolarHBondContact N-O 3.34Å; F299-F310 VanDerWaalsContact N-O 3.07Å; F299-F310 PolarHBondContact O-N 2.91Å; K308-F310 HydrophobicContact CB-CE2 3.92Å; K308-F310 HydrophobicContact CB-CZ 3.91Å; F310-E315 HydrophobicContact CB-CB 4.12Å; F310-E315 HydrophobicContact CB-CG 4.23Å; F310-E315 HydrophobicContact CD1-CB 4.17Å; F310-E315 HydrophobicContact CD1-CG 3.42Å; F310-E315 VanDerWaalsContact CD1-CG 3.42Å; F310-E315 HydrophobicContact CE1-CG 4.08Å; F310-E315 HydrophobicContact CG-CB 4.3Å; F310-E315 HydrophobicContact CG-CG 4.05Å; F310-L316 HydrophobicContact CB-CB 4.43Å; F310-L316 HydrophobicContact CD2-CB 3.87Å; F310-L316 HydrophobicContact CD2-CD1 3.82Å; F310-L316 HydrophobicContact CD2-CG 4.46Å; F310-L316 HydrophobicContact CE2-CD1 4.01Å; F310-L316 HydrophobicContact CG-CB 4.4Å; F310-H319 HydrophobicContact CE1-CB 4.12Å; F310-H319 HydrophobicContact CE2-CB 3.7Å; F310-H319 AromaticContact CE2-CD2 3.24Å; F310-H319 WeakPolarHBondContact CE2-CD2 3.46Å; F310-H319 AromaticContact CE2-CG 3.52Å; F310-H319 HydrophobicContact CZ-CB 3.39Å; F310-H319 AromaticContact CZ-CD2 3.44Å; F310-H319 VanDerWaalsContact CZ-CD2 3.44Å; F310-H319 WeakPolarHBondContact CZ-CD2 3.45Å; F310-H319 AromaticContact CZ-CG 3.24Å; F310-H319 AromaticContact CZ-ND1 3.9Å
311T78.1Confident82.4Confident24 Ų2474.4 Ų74.415%0.14737%0.37CS..SBendtrans-82.3-20.4-179.462.90000112.4R291 R297 F299R291-T311 HydrophobicContact CB-CG2 4.21Å; R291-T311 VanDerWaalsContact CD-O 3.26Å; R291-T311 WeakPolarHBondContact CD-O 3.49Å; R291-T311 PolarHBondContact NH1-O 2.76Å; R297-T311 HydrophobicContact CG-CG2 4.04Å; F299-T311 WeakPolarHBondContact CE2-O 3.47Å
312R79.9Confident82.2Confident118 Ų11877.8 Ų77.845%0.44539%0.391SS..SBendtrans-132.7148.2-176.3-64.8171.452.2168.2-3.8112.1A288 D314 E315 L316A288-R312 HydrophobicContact CB-CG 4.13Å; R312-D314 VanDerWaalsContact CB-OD1 3.31Å; R312-D314 WeakPolarHBondContact CB-OD1 3.39Å; R312-D314 IonicContact CZ-OD1 3.39Å; R312-D314 VanDerWaalsContact CZ-OD1 3.23Å; R312-D314 IonicContact CZ-OD2 2.7Å; R312-D314 IonicContact NE-OD1 3.6Å; R312-D314 PolarHBondContact NE-OD1 3.34Å; R312-D314 IonicContact NE-OD2 3.38Å; R312-D314 IonicContact NH2-OD1 3.56Å; R312-D314 PolarHBondContact NH2-OD1 2.84Å; R312-D314 IonicContact NH2-OD2 2.85Å; R312-D314 PolarHBondContact NH2-OD2 3.22Å; R312-E315 HydrophobicContact CB-CB 4.26Å; R312-E315 WeakPolarHBondContact O-CB 3.31Å; R312-E315 PolarHBondContact O-N 2.95Å; R312-L316 PolarHBondContact O-N 2.57Å
313S82Confident82.2Confident64 Ų6472.6 Ų72.645%0.44836%0.361SS..Hα-helixtrans-67.4-38.4179.354.10000112.8E315 L316 Q317S313-E315 PolarHBondContact O-N 3.15Å; S313-L316 PolarHBondContact O-N 3.03Å; S313-Q317 WeakPolarHBondContact O-CG 3.42Å; S313-Q317 PolarHBondContact O-N 3.28Å
314D82.8Confident82.1Confident59 Ų5970.2 Ų70.232%0.31636%0.361SS..Hα-helixtrans-65.2-27177.565.6-79.2000112.6R312 R318R312-D314 VanDerWaalsContact CB-OD1 3.31Å; R312-D314 WeakPolarHBondContact CB-OD1 3.39Å; R312-D314 IonicContact CZ-OD1 3.39Å; R312-D314 VanDerWaalsContact CZ-OD1 3.23Å; R312-D314 IonicContact CZ-OD2 2.7Å; R312-D314 IonicContact NE-OD1 3.6Å; R312-D314 PolarHBondContact NE-OD1 3.34Å; R312-D314 IonicContact NE-OD2 3.38Å; R312-D314 IonicContact NH2-OD1 3.56Å; R312-D314 PolarHBondContact NH2-OD1 2.84Å; R312-D314 IonicContact NH2-OD2 2.85Å; R312-D314 PolarHBondContact NH2-OD2 3.22Å; D314-R318 WeakPolarHBondContact O-CB 3.39Å; D314-R318 PolarHBondContact O-N 3.48Å; D314-R318 VanDerWaalsContact O-N 3.09Å; D314-R318 IonicContact OD2-NH2 3.14Å; D314-R318 PolarHBondContact OD2-NH2 2.87Å
315E84.5Confident82.3Confident57 Ų5765.2 Ų65.227%0.26635%0.346SS..Hα-helixtrans-73.7-45.2175.5-164.7-179.2-174.300111.3F310 R312 S313 R318 H319F310-E315 HydrophobicContact CB-CB 4.12Å; F310-E315 HydrophobicContact CB-CG 4.23Å; F310-E315 HydrophobicContact CD1-CB 4.17Å; F310-E315 HydrophobicContact CD1-CG 3.42Å; F310-E315 VanDerWaalsContact CD1-CG 3.42Å; F310-E315 HydrophobicContact CE1-CG 4.08Å; F310-E315 HydrophobicContact CG-CB 4.3Å; F310-E315 HydrophobicContact CG-CG 4.05Å; R312-E315 HydrophobicContact CB-CB 4.26Å; R312-E315 WeakPolarHBondContact O-CB 3.31Å; R312-E315 PolarHBondContact O-N 2.95Å; S313-E315 PolarHBondContact O-N 3.15Å; E315-R318 PolarHBondContact O-N 3.39Å; E315-H319 WeakPolarHBondContact O-CB 3.48Å; E315-H319 PolarHBondContact O-N 3.31Å
316L86.5Confident82.2Confident22 Ų2259.7 Ų59.712%0.11532%0.323CS..Hα-helixtrans-59.1-47.8171.9173.562.4000111.3F299 C301 F310 R312 S313 R318 H319 L320F299-L316 HydrophobicContact CB-CB 3.93Å; F299-L316 HydrophobicContact CB-CD2 3.84Å; F299-L316 HydrophobicContact CB-CG 4.47Å; C301-L316 HydrophobicContact CB-CD1 4.03Å; F310-L316 HydrophobicContact CB-CB 4.43Å; F310-L316 HydrophobicContact CD2-CB 3.87Å; F310-L316 HydrophobicContact CD2-CD1 3.82Å; F310-L316 HydrophobicContact CD2-CG 4.46Å; F310-L316 HydrophobicContact CE2-CD1 4.01Å; F310-L316 HydrophobicContact CG-CB 4.4Å; R312-L316 PolarHBondContact O-N 2.57Å; S313-L316 PolarHBondContact O-N 3.03Å; L316-R318 VanDerWaalsContact C-N 3.3Å; L316-R318 PolarHBondContact O-N 3.44Å; L316-H319 CarbonylContact O-C 3.32Å; L316-H319 WeakPolarHBondContact O-CA 3.43Å; L316-H319 WeakPolarHBondContact O-CB 3.5Å; L316-H319 PolarHBondContact O-N 3.09Å; L316-L320 HydrophobicContact CD1-CD1 4.49Å; L316-L320 HydrophobicContact CD1-CD2 4.45Å; L316-L320 HydrophobicContact CD1-CG 4.19Å; L316-L320 HydrophobicContact CG-CD1 4.31Å; L316-L320 HydrophobicContact CG-CG 4.44Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.38Å
317Q84.3Confident81.9Confident109 Ų10963.9 Ų63.951%0.50934%0.338SS..Hα-helixtrans-60.4-39.4179.2-74.1-63.1-37.400112.5S313 H319 L320S313-Q317 WeakPolarHBondContact O-CG 3.42Å; S313-Q317 PolarHBondContact O-N 3.28Å; Q317-H319 VanDerWaalsContact C-N 3.35Å; Q317-L320 PolarHBondContact O-N 3.14Å
318R84.1Confident82.2Confident72 Ų7268.8 Ų68.827%0.27234%0.339SS..Hα-helixtrans-66.7-39.4173.8-167.8-171.1-36.9109.78.9111.8D314 E315 L316 R321 R340D314-R318 WeakPolarHBondContact O-CB 3.39Å; D314-R318 PolarHBondContact O-N 3.48Å; D314-R318 VanDerWaalsContact O-N 3.09Å; D314-R318 IonicContact OD2-NH2 3.14Å; D314-R318 PolarHBondContact OD2-NH2 2.87Å; E315-R318 PolarHBondContact O-N 3.39Å; L316-R318 VanDerWaalsContact C-N 3.3Å; L316-R318 PolarHBondContact O-N 3.44Å; R318-R321 WeakPolarHBondContact O-CB 3.41Å; R318-R321 PolarHBondContact O-N 3.24Å; R318-R340 HydrophobicContact CG-CG 4.17Å
319H86.6Confident82.2Confident19 Ų1966 Ų669%0.08833%0.326CS..Hα-helixtrans-66.5-38.7176.6168.259.8000112C301 C306 F310 E315 L316 Q317 R321 T322 H323C301-H319 PolarHBondContact SG-NE2 2.86Å; C306-H319 PolarHBondContact SG-CE1 3.32Å; C306-H319 PolarHBondContact SG-NE2 2.92Å; F310-H319 HydrophobicContact CE1-CB 4.12Å; F310-H319 HydrophobicContact CE2-CB 3.7Å; F310-H319 AromaticContact CE2-CD2 3.24Å; F310-H319 WeakPolarHBondContact CE2-CD2 3.46Å; F310-H319 AromaticContact CE2-CG 3.52Å; F310-H319 HydrophobicContact CZ-CB 3.39Å; F310-H319 AromaticContact CZ-CD2 3.44Å; F310-H319 VanDerWaalsContact CZ-CD2 3.44Å; F310-H319 WeakPolarHBondContact CZ-CD2 3.45Å; F310-H319 AromaticContact CZ-CG 3.24Å; F310-H319 AromaticContact CZ-ND1 3.9Å; E315-H319 WeakPolarHBondContact O-CB 3.48Å; E315-H319 PolarHBondContact O-N 3.31Å; L316-H319 CarbonylContact O-C 3.32Å; L316-H319 WeakPolarHBondContact O-CA 3.43Å; L316-H319 WeakPolarHBondContact O-CB 3.5Å; L316-H319 PolarHBondContact O-N 3.09Å; Q317-H319 VanDerWaalsContact C-N 3.35Å; H319-R321 PolarHBondContact O-N 3.48Å; H319-R321 VanDerWaalsContact O-N 3.15Å; H319-T322 PolarHBondContact ND1-OG1 2.81Å; H319-T322 WeakPolarHBondContact O-CA 3.42Å; H319-T322 VanDerWaalsContact O-CB 3.31Å; H319-T322 WeakPolarHBondContact O-CB 3.26Å; H319-T322 PolarHBondContact O-N 2.72Å; H319-T322 PolarHBondContact O-OG1 3.34Å; H319-H323 AromaticContact CE1-NE2 3.44Å; H319-H323 PolarHBondContact CE1-NE2 3.36Å; H319-H323 AromaticContact NE2-CD2 3.86Å; H319-H323 AromaticContact NE2-NE2 3.28Å; H319-H323 PolarHBondContact NE2-NE2 3.2Å
320L84.4Confident82.4Confident54 Ų5467.1 Ų67.128%0.28333%0.332SS..Hα-helixtrans-57.8-30.7175.8-70.5173.3000112.6L316 Q317 T322 H323 T324L316-L320 HydrophobicContact CD1-CD1 4.49Å; L316-L320 HydrophobicContact CD1-CD2 4.45Å; L316-L320 HydrophobicContact CD1-CG 4.19Å; L316-L320 HydrophobicContact CG-CD1 4.31Å; L316-L320 HydrophobicContact CG-CG 4.44Å; L316-L320 WeakPolarHBondContact O-CG 3.48Å; L316-L320 PolarHBondContact O-N 3.38Å; Q317-L320 PolarHBondContact O-N 3.14Å; L320-T322 PolarHBondContact O-N 2.95Å; L320-H323 WeakPolarHBondContact O-CB 3.18Å; L320-H323 PolarHBondContact O-N 3.07Å; L320-T324 PolarHBondContact O-N 3.43Å
321R83.8Confident82.6Confident79 Ų7966.3 Ų66.330%0.29833%0.328SS..Hα-helixtrans-64.9-20.1173.3-58.9175.5-165.8174.30.7113.7R318 H319 H323 T324 G325 M339R318-R321 WeakPolarHBondContact O-CB 3.41Å; R318-R321 PolarHBondContact O-N 3.24Å; H319-R321 PolarHBondContact O-N 3.48Å; H319-R321 VanDerWaalsContact O-N 3.15Å; R321-H323 VanDerWaalsContact C-N 3.31Å; R321-T324 WeakPolarHBondContact CA-OG1 3.35Å; R321-T324 PolarHBondContact O-OG1 3.39Å; R321-G325 WeakPolarHBondContact O-CA 3.34Å; R321-G325 PolarHBondContact O-N 3.36Å; R321-M339 VanDerWaalsContact C-SD 3.54Å; R321-M339 HydrophobicContact CB-CG 3.78Å; R321-M339 HydrophobicContact CB-SD 3.78Å
322T82.5Confident82.8Confident74 Ų7469.5 Ų69.545%0.45435%0.35SS..Hα-helixtrans-73.2-26172.965.20000112.4H319 L320 M339H319-T322 PolarHBondContact ND1-OG1 2.81Å; H319-T322 WeakPolarHBondContact O-CA 3.42Å; H319-T322 VanDerWaalsContact O-CB 3.31Å; H319-T322 WeakPolarHBondContact O-CB 3.26Å; H319-T322 PolarHBondContact O-N 2.72Å; H319-T322 PolarHBondContact O-OG1 3.34Å; L320-T322 PolarHBondContact O-N 2.95Å; T322-M339 HydrophobicContact CG2-CE 3.56Å; T322-M339 HydrophobicContact CG2-SD 3.62Å
323H80.8Confident83Confident53 Ų5366.5 Ų66.525%0.24534%0.343CS..Hα-helixtrans-78.8-40.5174.3-70.6-66.5000111.8C301 W303 C306 H319 L320 R321 G325C301-H323 PolarHBondContact SG-NE2 3.3Å; C301-H323 VanDerWaalsContact SG-NE2 3.4Å; W303-H323 AromaticContact CD1-CE1 3.93Å; W303-H323 AromaticContact CD1-ND1 3.95Å; W303-H323 HydrophobicContact CD2-CB 4.08Å; W303-H323 AromaticContact CD2-CG 3.79Å; W303-H323 AromaticContact CD2-ND1 3.64Å; W303-H323 AromaticContact CE2-ND1 3.91Å; W303-H323 HydrophobicContact CE3-CB 3.63Å; W303-H323 AromaticContact CE3-CG 3.77Å; W303-H323 AromaticContact CG-CE1 3.74Å; W303-H323 AromaticContact CG-ND1 3.69Å; W303-H323 HydrophobicContact CH2-CB 4.23Å; W303-H323 HydrophobicContact CZ3-CB 3.72Å; C306-H323 PolarHBondContact SG-NE2 2.82Å; H319-H323 AromaticContact CE1-NE2 3.44Å; H319-H323 PolarHBondContact CE1-NE2 3.36Å; H319-H323 AromaticContact NE2-CD2 3.86Å; H319-H323 AromaticContact NE2-NE2 3.28Å; H319-H323 PolarHBondContact NE2-NE2 3.2Å; L320-H323 WeakPolarHBondContact O-CB 3.18Å; L320-H323 PolarHBondContact O-N 3.07Å; R321-H323 VanDerWaalsContact C-N 3.31Å; H323-G325 VanDerWaalsContact C-N 3.34Å
324T79.7Confident83.1Confident78 Ų7865 Ų6548%0.47933%0.332SS..Hα-helixtrans-81.4-14.1179.161.20000113.4L320 R321 E326L320-T324 PolarHBondContact O-N 3.43Å; R321-T324 WeakPolarHBondContact CA-OG1 3.35Å; R321-T324 PolarHBondContact O-OG1 3.39Å; T324-E326 PolarHBondContact O-N 2.69Å; T324-E326 VanDerWaalsContact O-N 3.13Å
325G78.2Confident83.2Confident47 Ų4763.9 Ų63.949%0.48533%0.328SS..  trans67.68.1-178.900000114.5R321 H323 K327R321-G325 WeakPolarHBondContact O-CA 3.34Å; R321-G325 PolarHBondContact O-N 3.36Å; H323-G325 VanDerWaalsContact C-N 3.34Å; G325-K327 PolarHBondContact O-N 3.33Å
326E77.6Confident83.1Confident70 Ų7067.1 Ų67.133%0.32734%0.341SS..  trans-64.8116.8-173.5-75.4-176.7173.400112.6T324 R328T324-E326 PolarHBondContact O-N 2.69Å; T324-E326 VanDerWaalsContact O-N 3.13Å; E326-R328 HydrophobicContact CB-CG 4.48Å; E326-R328 IonicContact OE1-NH2 3.16Å; E326-R328 IonicContact OE2-CZ 2.83Å; E326-R328 IonicContact OE2-NE 2.66Å; E326-R328 PolarHBondContact OE2-NE 3.19Å; E326-R328 IonicContact OE2-NH2 3.51Å; E326-R328 PolarHBondContact OE2-NH2 3.28Å
327K79.5Confident83.1Confident114 Ų11470 Ų7050%0.49635%0.351SS..  trans-106.385.4176.1-63.6173.5-175.6172.60110.9G325 R337 F338G325-K327 PolarHBondContact O-N 3.33Å; K327-R337 HydrophobicContact CB-CB 3.52Å; K327-R337 HydrophobicContact CD-CB 4.08Å; K327-R337 HydrophobicContact CG-CB 4.42Å; K327-R337 PolarHBondContact O-NE 3.27Å; K327-R337 PolarHBondContact O-NH2 3.37Å; K327-F338 CarbonylContact C-O 3.31Å; K327-F338 WeakPolarHBondContact CA-O 3.24Å
328R81.5Confident83.1Confident160 Ų16066.7 Ų66.760%0.60434%0.335SS*.  trans-77.9-18.3-173.8-60.7-177.1-179.3-139.21.3114.7E326 F338E326-R328 HydrophobicContact CB-CG 4.48Å; E326-R328 IonicContact OE1-NH2 3.16Å; E326-R328 IonicContact OE2-CZ 2.83Å; E326-R328 IonicContact OE2-NE 2.66Å; E326-R328 PolarHBondContact OE2-NE 3.19Å; E326-R328 IonicContact OE2-NH2 3.51Å; E326-R328 PolarHBondContact OE2-NH2 3.28Å; R328-F338 PolarHBondContact N-O 3.36Å
329F83.9Confident83.1Confident60 Ų6065.5 Ų65.526%0.26333%0.333SS..EExtended strand (participates in β ladder)trans-104.4117.8-172.5-60.1-78000110.8R337 F338 M339 R340 L344F329-R337 CarbonylContact O-C 3.54Å; F329-R337 VanDerWaalsContact O-CA 3.29Å; F329-R337 WeakPolarHBondContact O-CA 3.44Å; F329-F338 HydrophobicContact CB-CB 4.2Å; F329-F338 WeakPolarHBondContact CB-O 3.46Å; F329-F338 WeakPolarHBondContact CD2-O 3.26Å; F329-F338 PolarHBondContact N-O 3.08Å; F329-F338 PolarHBondContact O-N 3.27Å; F329-M339 WeakPolarHBondContact CE2-O 3.48Å; F329-R340 VanDerWaalsContact CD2-C 3.41Å; F329-L344 HydrophobicContact CB-CB 4.19Å; F329-L344 HydrophobicContact CB-CD2 3.92Å
330V86.6Confident83Confident59 Ų5968 Ų6836%0.35834%0.341SS..EExtended strand (participates in β ladder)trans-105.6136-177.9-172.50000109.8C335 R337V330-C335 HydrophobicContact CG1-CB 4.27Å; V330-R337 HydrophobicContact CG2-CG 4.21Å
331C87Confident83.1Confident0 Ų068.7 Ų68.70%035%0.351CS..  trans-74.4125.5171.41780000110.7D333 C335 K336 F338 L344 H347 H351C331-D333 VanDerWaalsContact C-N 3.27Å; C331-D333 PolarHBondContact O-N 3.32Å; C331-C335 WeakPolarHBondContact O-CA 3.29Å; C331-C335 PolarHBondContact O-N 3.45Å; C331-K336 HydrophobicContact CB-CB 4.47Å; C331-K336 PolarHBondContact N-O 3.28Å; C331-F338 HydrophobicContact CB-CE2 4.16Å; C331-L344 HydrophobicContact CB-CD1 3.77Å; C331-H347 VanDerWaalsContact SG-CD2 3.59Å; C331-H347 PolarHBondContact SG-NE2 3.44Å; C331-H351 VanDerWaalsContact SG-CD2 3.51Å; C331-H351 PolarHBondContact SG-NE2 3.34Å
332P82.4Confident83.3Confident91 Ų9167.6 Ų67.659%0.59135%0.351SS*.THydrogen-bonded Turntrans-66.2-30.5-179.526.5-34.2000112.8
333D83.7Confident83.6Confident56 Ų5667.5 Ų67.530%0.29935%0.345SS..THydrogen-bonded Turntrans-79.6-47.5-176-52.3-56.9000111.6C331 H351 S356 K357 C358C331-D333 VanDerWaalsContact C-N 3.27Å; C331-D333 PolarHBondContact O-N 3.32Å; D333-H351 HydrophobicContact CB-CB 4.4Å; D333-H351 IonicContact OD2-CD2 2.82Å; D333-H351 PolarHBondContact OD2-CD2 3.4Å; D333-H351 VanDerWaalsContact OD2-CD2 3.31Å; D333-H351 IonicContact OD2-CG 2.85Å; D333-S356 CarbonylContact C-O 3.35Å; D333-S356 CarbonylContact O-C 3.59Å; D333-K357 CarbonylContact O-C 3.34Å; D333-K357 VanDerWaalsContact O-C 3.31Å; D333-C358 PolarHBondContact O-N 2.86Å
334C85Confident84Confident32 Ų3266.4 Ų66.422%0.21634%0.341CS..THydrogen-bonded Turntrans-120.96.4-172.372.70000115.3K336 H347 H351C334-K336 PolarHBondContact O-N 2.98Å; C334-K336 VanDerWaalsContact SG-CG 3.55Å; C334-H347 PolarHBondContact SG-NE2 3.45Å; C334-H351 PolarHBondContact SG-CE1 2.97Å; C334-H351 PolarHBondContact SG-NE2 3.46Å; C334-H351 VanDerWaalsContact SG-NE2 3.39Å
335C84.4Confident84.5Confident36 Ų3665.1 Ų65.124%0.24334%0.338CS..  trans5514.2-179.5-81.40000116.8V330 C331 R337 C358V330-C335 HydrophobicContact CG1-CB 4.27Å; C331-C335 WeakPolarHBondContact O-CA 3.29Å; C331-C335 PolarHBondContact O-N 3.45Å; C335-R337 PolarHBondContact O-N 3.02Å; C335-C358 HydrophobicContact CB-CB 3.94Å; C335-C358 WeakPolarHBondContact CB-SG 3.38Å; C335-C358 WeakPolarHBondContact SG-CB 3.25Å; C335-C358 CovalentContact SG-SG 2Å; C335-C358 PolarHBondContact SG-SG 3.07Å
336K83.3Confident84.9Confident125 Ų12569.6 Ų69.654%0.54334%0.344SS..  trans-62.2131.3170.1-73.7-178.9-177.7-175.50110.4C331 C334 F338C331-K336 HydrophobicContact CB-CB 4.47Å; C331-K336 PolarHBondContact N-O 3.28Å; C334-K336 PolarHBondContact O-N 2.98Å; C334-K336 VanDerWaalsContact SG-CG 3.55Å; K336-F338 HydrophobicContact CB-CE2 3.73Å; K336-F338 HydrophobicContact CB-CZ 3.96Å; K336-F338 WeakPolarHBondContact O-CD2 3.12Å; K336-F338 VanDerWaalsContact O-CE2 3.29Å; K336-F338 WeakPolarHBondContact O-CE2 3.48Å
337R85.1Confident85.5Confident82 Ų8267.5 Ų67.531%0.30933%0.334SS..EExtended strand (participates in β ladder)trans-93.6138.2178.6-49-174.972.6173.28.2111.1K327 F329 V330 C335 D370K327-R337 HydrophobicContact CB-CB 3.52Å; K327-R337 HydrophobicContact CD-CB 4.08Å; K327-R337 HydrophobicContact CG-CB 4.42Å; K327-R337 PolarHBondContact O-NE 3.27Å; K327-R337 PolarHBondContact O-NH2 3.37Å; F329-R337 CarbonylContact O-C 3.54Å; F329-R337 VanDerWaalsContact O-CA 3.29Å; F329-R337 WeakPolarHBondContact O-CA 3.44Å; V330-R337 HydrophobicContact CG2-CG 4.21Å; C335-R337 PolarHBondContact O-N 3.02Å; R337-D370 IonicContact CZ-OD2 3.31Å; R337-D370 IonicContact NH1-OD1 3.76Å; R337-D370 IonicContact NH1-OD2 3.78Å; R337-D370 PolarHBondContact NH1-OD2 2.81Å; R337-D370 IonicContact NH2-OD2 3.75Å
338F84.5Confident85.8Confident40 Ų4064.6 Ų64.618%0.17533%0.326CS..EExtended strand (participates in β ladder)trans-125.6145179.7-60.5-90000109.6K327 R328 F329 C331 K336 R340 H343 L344 H347K327-F338 CarbonylContact C-O 3.31Å; K327-F338 WeakPolarHBondContact CA-O 3.24Å; R328-F338 PolarHBondContact N-O 3.36Å; F329-F338 HydrophobicContact CB-CB 4.2Å; F329-F338 WeakPolarHBondContact CB-O 3.46Å; F329-F338 WeakPolarHBondContact CD2-O 3.26Å; F329-F338 PolarHBondContact N-O 3.08Å; F329-F338 PolarHBondContact O-N 3.27Å; C331-F338 HydrophobicContact CB-CE2 4.16Å; K336-F338 HydrophobicContact CB-CE2 3.73Å; K336-F338 HydrophobicContact CB-CZ 3.96Å; K336-F338 WeakPolarHBondContact O-CD2 3.12Å; K336-F338 VanDerWaalsContact O-CE2 3.29Å; K336-F338 WeakPolarHBondContact O-CE2 3.48Å; F338-R340 VanDerWaalsContact C-N 3.28Å; F338-H343 HydrophobicContact CD1-CB 4.01Å; F338-L344 HydrophobicContact CB-CB 4.32Å; F338-L344 HydrophobicContact CD2-CB 4.05Å; F338-L344 HydrophobicContact CD2-CD1 3.84Å; F338-L344 HydrophobicContact CE2-CD1 4.05Å; F338-L344 HydrophobicContact CG-CB 4.26Å; F338-H347 HydrophobicContact CE1-CB 3.91Å; F338-H347 HydrophobicContact CE2-CB 4.07Å; F338-H347 AromaticContact CE2-CD2 3.29Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.2Å; F338-H347 AromaticContact CE2-CG 3.71Å; F338-H347 AromaticContact CE2-NE2 3.92Å; F338-H347 HydrophobicContact CZ-CB 3.51Å; F338-H347 AromaticContact CZ-CD2 3.25Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.09Å; F338-H347 AromaticContact CZ-CG 3.18Å; F338-H347 AromaticContact CZ-ND1 3.74Å; F338-H347 AromaticContact CZ-NE2 3.8Å
339M84.1Confident86.1Confident47 Ų4763.5 Ų63.523%0.23233%0.326CS..SBendtrans-77-18.2173.9-175.7-177.256.900112.2R321 T322 F329R321-M339 VanDerWaalsContact C-SD 3.54Å; R321-M339 HydrophobicContact CB-CG 3.78Å; R321-M339 HydrophobicContact CB-SD 3.78Å; T322-M339 HydrophobicContact CG2-CE 3.56Å; T322-M339 HydrophobicContact CG2-SD 3.62Å; F329-M339 WeakPolarHBondContact CE2-O 3.48Å
340R84.1Confident86.2Confident71 Ų7165 Ų6527%0.26834%0.34SS..  trans-133.1141.6-174.7-65.8171.550.3173.25.2112.6R318 F329 F338 D342 H343 L344R318-R340 HydrophobicContact CG-CG 4.17Å; F329-R340 VanDerWaalsContact CD2-C 3.41Å; F338-R340 VanDerWaalsContact C-N 3.28Å; R340-D342 VanDerWaalsContact CB-OD1 3.28Å; R340-D342 WeakPolarHBondContact CB-OD1 3.49Å; R340-D342 IonicContact CZ-OD1 2.78Å; R340-D342 IonicContact CZ-OD2 3.02Å; R340-D342 IonicContact NE-OD1 3.07Å; R340-D342 PolarHBondContact NE-OD1 2.97Å; R340-D342 IonicContact NE-OD2 3.58Å; R340-D342 VanDerWaalsContact NH2-CG 3.25Å; R340-D342 IonicContact NH2-OD1 3.69Å; R340-D342 PolarHBondContact NH2-OD1 3.32Å; R340-D342 VanDerWaalsContact NH2-OD1 3.14Å; R340-D342 IonicContact NH2-OD2 3.23Å; R340-D342 PolarHBondContact NH2-OD2 2.88Å; R340-H343 HydrophobicContact CB-CB 4.26Å; R340-H343 VanDerWaalsContact CD-NE2 3.32Å; R340-H343 WeakPolarHBondContact CD-NE2 3.45Å; R340-H343 VanDerWaalsContact CZ-CE1 3.47Å; R340-H343 PolarHBondContact NE-NE2 2.63Å; R340-H343 PolarHBondContact NH1-CE1 3.28Å; R340-H343 PolarHBondContact NH1-NE2 3.11Å; R340-H343 PolarHBondContact O-N 3.47Å; R340-L344 PolarHBondContact O-N 2.78Å; R340-L344 VanDerWaalsContact O-N 3.14Å
341S87Confident85.9Confident68 Ų6863.6 Ų63.648%0.47633%0.329SS..Hα-helixtrans-67.9-35.6178.6550000113H343 L344 A345S341-H343 VanDerWaalsContact C-N 3.32Å; S341-H343 PolarHBondContact O-N 3.35Å; S341-L344 WeakPolarHBondContact O-CB 3.29Å; S341-L344 PolarHBondContact O-N 2.95Å; S341-A345 WeakPolarHBondContact O-CB 3.29Å; S341-A345 PolarHBondContact O-N 3.09Å
342D88.2Confident85Confident56 Ų5671 Ų7130%0.29936%0.364SS..Hα-helixtrans-69.8-31.9178.266.8-67.3000112.1R340 A345 K346R340-D342 VanDerWaalsContact CB-OD1 3.28Å; R340-D342 WeakPolarHBondContact CB-OD1 3.49Å; R340-D342 IonicContact CZ-OD1 2.78Å; R340-D342 IonicContact CZ-OD2 3.02Å; R340-D342 IonicContact NE-OD1 3.07Å; R340-D342 PolarHBondContact NE-OD1 2.97Å; R340-D342 IonicContact NE-OD2 3.58Å; R340-D342 VanDerWaalsContact NH2-CG 3.25Å; R340-D342 IonicContact NH2-OD1 3.69Å; R340-D342 PolarHBondContact NH2-OD1 3.32Å; R340-D342 VanDerWaalsContact NH2-OD1 3.14Å; R340-D342 IonicContact NH2-OD2 3.23Å; R340-D342 PolarHBondContact NH2-OD2 2.88Å; D342-A345 PolarHBondContact O-N 3.24Å; D342-K346 WeakPolarHBondContact O-CG 3.42Å; D342-K346 PolarHBondContact O-N 2.82Å
343H88.8Confident84Confident73 Ų7374.2 Ų74.234%0.33838%0.376SS..Hα-helixtrans-68.7-42.9171.5-65.7-20.3000111.5F338 R340 S341 A345 K346 H347F338-H343 HydrophobicContact CD1-CB 4.01Å; R340-H343 HydrophobicContact CB-CB 4.26Å; R340-H343 VanDerWaalsContact CD-NE2 3.32Å; R340-H343 WeakPolarHBondContact CD-NE2 3.45Å; R340-H343 VanDerWaalsContact CZ-CE1 3.47Å; R340-H343 PolarHBondContact NE-NE2 2.63Å; R340-H343 PolarHBondContact NH1-CE1 3.28Å; R340-H343 PolarHBondContact NH1-NE2 3.11Å; R340-H343 PolarHBondContact O-N 3.47Å; S341-H343 VanDerWaalsContact C-N 3.32Å; S341-H343 PolarHBondContact O-N 3.35Å; H343-A345 VanDerWaalsContact C-N 3.35Å; H343-A345 PolarHBondContact O-N 3.47Å; H343-K346 PolarHBondContact O-N 3.37Å; H343-H347 VanDerWaalsContact O-CB 3.26Å; H343-H347 WeakPolarHBondContact O-CB 3.29Å; H343-H347 PolarHBondContact O-N 3.14Å
344L90.4Very high83Confident29 Ų2979.4 Ų79.415%0.15240%0.396CS..Hα-helixtrans-57.9-47.8170.9171.964.2000110.9F329 C331 F338 R340 S341 K346 H347 V348F329-L344 HydrophobicContact CB-CB 4.19Å; F329-L344 HydrophobicContact CB-CD2 3.92Å; C331-L344 HydrophobicContact CB-CD1 3.77Å; F338-L344 HydrophobicContact CB-CB 4.32Å; F338-L344 HydrophobicContact CD2-CB 4.05Å; F338-L344 HydrophobicContact CD2-CD1 3.84Å; F338-L344 HydrophobicContact CE2-CD1 4.05Å; F338-L344 HydrophobicContact CG-CB 4.26Å; R340-L344 PolarHBondContact O-N 2.78Å; R340-L344 VanDerWaalsContact O-N 3.14Å; S341-L344 WeakPolarHBondContact O-CB 3.29Å; S341-L344 PolarHBondContact O-N 2.95Å; L344-K346 VanDerWaalsContact C-N 3.33Å; L344-K346 PolarHBondContact O-N 3.25Å; L344-H347 CarbonylContact O-C 3.59Å; L344-H347 WeakPolarHBondContact O-CA 3.27Å; L344-H347 WeakPolarHBondContact O-CB 3.4Å; L344-H347 PolarHBondContact O-N 3.41Å; L344-V348 HydrophobicContact CD1-CG2 3.66Å; L344-V348 HydrophobicContact CG-CG2 4.13Å; L344-V348 WeakPolarHBondContact O-CG2 3.23Å; L344-V348 PolarHBondContact O-N 2.86Å
345A88.9Confident81.5Confident52 Ų5290.1 Ų90.143%0.4343%0.432SS..Hα-helixtrans-61.5-39.8-178.600000112.5S341 D342 H343 K349S341-A345 WeakPolarHBondContact O-CB 3.29Å; S341-A345 PolarHBondContact O-N 3.09Å; D342-A345 PolarHBondContact O-N 3.24Å; H343-A345 VanDerWaalsContact C-N 3.35Å; H343-A345 PolarHBondContact O-N 3.47Å; A345-K349 WeakPolarHBondContact O-CG 3.23Å; A345-K349 PolarHBondContact O-N 3.33Å
346K88Confident80.4Confident141 Ų14191.3 Ų91.361%0.61344%0.441SS*.Hα-helixtrans-65.5-41.9172.1-72.9178.6-178.2-173.60111.7D342 H343 L344 K349D342-K346 WeakPolarHBondContact O-CG 3.42Å; D342-K346 PolarHBondContact O-N 2.82Å; H343-K346 PolarHBondContact O-N 3.37Å; L344-K346 VanDerWaalsContact C-N 3.33Å; L344-K346 PolarHBondContact O-N 3.25Å; K346-K349 WeakPolarHBondContact O-CB 3.2Å; K346-K349 PolarHBondContact O-N 2.69Å
347H88.8Confident79.4Confident25 Ų2594.2 Ų94.212%0.11645%0.453CS..Hα-helixtrans-65.8-42.6179.2171.566.1000112.6C331 C334 F338 H343 L344 K349 T350 H351C331-H347 VanDerWaalsContact SG-CD2 3.59Å; C331-H347 PolarHBondContact SG-NE2 3.44Å; C334-H347 PolarHBondContact SG-NE2 3.45Å; F338-H347 HydrophobicContact CE1-CB 3.91Å; F338-H347 HydrophobicContact CE2-CB 4.07Å; F338-H347 AromaticContact CE2-CD2 3.29Å; F338-H347 WeakPolarHBondContact CE2-CD2 3.2Å; F338-H347 AromaticContact CE2-CG 3.71Å; F338-H347 AromaticContact CE2-NE2 3.92Å; F338-H347 HydrophobicContact CZ-CB 3.51Å; F338-H347 AromaticContact CZ-CD2 3.25Å; F338-H347 WeakPolarHBondContact CZ-CD2 3.09Å; F338-H347 AromaticContact CZ-CG 3.18Å; F338-H347 AromaticContact CZ-ND1 3.74Å; F338-H347 AromaticContact CZ-NE2 3.8Å; H343-H347 VanDerWaalsContact O-CB 3.26Å; H343-H347 WeakPolarHBondContact O-CB 3.29Å; H343-H347 PolarHBondContact O-N 3.14Å; L344-H347 CarbonylContact O-C 3.59Å; L344-H347 WeakPolarHBondContact O-CA 3.27Å; L344-H347 WeakPolarHBondContact O-CB 3.4Å; L344-H347 PolarHBondContact O-N 3.41Å; H347-K349 PolarHBondContact O-N 3.24Å; H347-T350 WeakPolarHBondContact O-CA 3.33Å; H347-T350 WeakPolarHBondContact O-CB 3.24Å; H347-T350 PolarHBondContact O-N 3.05Å; H347-T350 PolarHBondContact O-OG1 2.74Å; H347-H351 AromaticContact CD2-NE2 3.65Å; H347-H351 AromaticContact CE1-CE1 3.69Å; H347-H351 AromaticContact CE1-NE2 3.35Å; H347-H351 PolarHBondContact CE1-NE2 3.05Å; H347-H351 AromaticContact NE2-CD2 3.99Å; H347-H351 AromaticContact NE2-CE1 3.66Å; H347-H351 AromaticContact NE2-NE2 2.94Å; H347-H351 PolarHBondContact NE2-NE2 2.84Å
348V86.8Confident78.1Confident53 Ų5392 Ų9232%0.32145%0.45SS..Hα-helixtrans-59.9-34.7178.3170.80000111.3L344 T350 H351L344-V348 HydrophobicContact CD1-CG2 3.66Å; L344-V348 HydrophobicContact CG-CG2 4.13Å; L344-V348 WeakPolarHBondContact O-CG2 3.23Å; L344-V348 PolarHBondContact O-N 2.86Å; V348-T350 PolarHBondContact O-N 3.44Å; V348-H351 WeakPolarHBondContact O-CB 3.39Å; V348-H351 PolarHBondContact O-N 3.44Å
349K87.8Confident76.9Confident138 Ų13897 Ų9760%0.647%0.473SS*.Hα-helixtrans-62.2-24.2173.6-66.1174-177-170.20113.3A345 K346 H347 H351 Q352A345-K349 WeakPolarHBondContact O-CG 3.23Å; A345-K349 PolarHBondContact O-N 3.33Å; K346-K349 WeakPolarHBondContact O-CB 3.2Å; K346-K349 PolarHBondContact O-N 2.69Å; H347-K349 PolarHBondContact O-N 3.24Å; K349-H351 VanDerWaalsContact C-N 3.27Å; K349-H351 PolarHBondContact O-N 2.88Å; K349-Q352 WeakPolarHBondContact O-CB 3.28Å; K349-Q352 VanDerWaalsContact O-CG 3.28Å; K349-Q352 WeakPolarHBondContact O-CG 3.24Å; K349-Q352 PolarHBondContact O-N 2.86Å
350T85.3Confident75.6Confident91 Ų91102.5 Ų102.556%0.55850%0.499SS*.Hα-helixtrans-73.8-17.6176.370.70000113.2H347 V348 Q352H347-T350 WeakPolarHBondContact O-CA 3.33Å; H347-T350 WeakPolarHBondContact O-CB 3.24Å; H347-T350 PolarHBondContact O-N 3.05Å; H347-T350 PolarHBondContact O-OG1 2.74Å; V348-T350 PolarHBondContact O-N 3.44Å; T350-Q352 PolarHBondContact O-N 3.47Å
351H80.6Confident74Confident30 Ų30107.9 Ų107.914%0.13952%0.524CS..G310 helixtrans-79-4.2176.3-64.5-52.7000113.9C331 D333 C334 H347 V348 K349 N353 K354C331-H351 VanDerWaalsContact SG-CD2 3.51Å; C331-H351 PolarHBondContact SG-NE2 3.34Å; D333-H351 HydrophobicContact CB-CB 4.4Å; D333-H351 IonicContact OD2-CD2 2.82Å; D333-H351 PolarHBondContact OD2-CD2 3.4Å; D333-H351 VanDerWaalsContact OD2-CD2 3.31Å; D333-H351 IonicContact OD2-CG 2.85Å; C334-H351 PolarHBondContact SG-CE1 2.97Å; C334-H351 PolarHBondContact SG-NE2 3.46Å; C334-H351 VanDerWaalsContact SG-NE2 3.39Å; H347-H351 AromaticContact CD2-NE2 3.65Å; H347-H351 AromaticContact CE1-CE1 3.69Å; H347-H351 AromaticContact CE1-NE2 3.35Å; H347-H351 PolarHBondContact CE1-NE2 3.05Å; H347-H351 AromaticContact NE2-CD2 3.99Å; H347-H351 AromaticContact NE2-CE1 3.66Å; H347-H351 AromaticContact NE2-NE2 2.94Å; H347-H351 PolarHBondContact NE2-NE2 2.84Å; V348-H351 WeakPolarHBondContact O-CB 3.39Å; V348-H351 PolarHBondContact O-N 3.44Å; K349-H351 VanDerWaalsContact C-N 3.27Å; K349-H351 PolarHBondContact O-N 2.88Å; H351-N353 PolarHBondContact O-N 2.84Å; H351-K354 PolarHBondContact O-N 3.45Å
352Q68.6Low72.4Confident156 Ų156107.8 Ų107.873%0.72952%0.521SS*.G310 helixtrans-56.1-17.9177.4-72.1177.52.200113.5K349 T350K349-Q352 WeakPolarHBondContact O-CB 3.28Å; K349-Q352 VanDerWaalsContact O-CG 3.28Å; K349-Q352 WeakPolarHBondContact O-CG 3.24Å; K349-Q352 PolarHBondContact O-N 2.86Å; T350-Q352 PolarHBondContact O-N 3.47Å
353N61.6Low70.8Confident158 Ų158110.5 Ų110.585%0.84554%0.535SS*.G310 helixtrans-1215.8176.3-75.8-32000115.3H351H351-N353 PolarHBondContact O-N 2.84Å
354K62.7Low69Low164 Ų164112.5 Ų112.571%0.71355%0.548SS*.  trans-147.7106.8177.5-71.2-173.1-180179.40110.8H351 S356H351-K354 PolarHBondContact O-N 3.45Å; K354-S356 PolarHBondContact O-N 3.41Å
355R54.1Low67.1Low257 Ų257116.9 Ų116.997%0.9757%0.567SS**  trans-78.794.2164.2-86.7178.1164163.1-4.1108.7
356S60.5Low65.4Low61 Ų61116 Ų11643%0.42756%0.557SS.*PPolyproline II helixtrans-95.9139.7150.151.90000107.5D333 K354D333-S356 CarbonylContact C-O 3.35Å; D333-S356 CarbonylContact O-C 3.59Å; K354-S356 PolarHBondContact O-N 3.41Å
357K62.9Low63.5Low187 Ų187116.8 Ų116.881%0.81356%0.56SS**PPolyproline II helixtrans-101.3130.2-179.9-166.8173.8-175.3178.80107.5D333 H359D333-K357 CarbonylContact O-C 3.34Å; D333-K357 VanDerWaalsContact O-C 3.31Å; K357-H359 PolarHBondContact O-N 3.33Å
358C57.6Low61.6Low36 Ų36123.9 Ų123.924%0.24359%0.586CS.*PPolyproline II helixtrans-70.1124.1173.6-179.90000109.5D333 C335D333-C358 PolarHBondContact O-N 2.86Å; C335-C358 HydrophobicContact CB-CB 3.94Å; C335-C358 WeakPolarHBondContact CB-SG 3.38Å; C335-C358 WeakPolarHBondContact SG-CB 3.25Å; C335-C358 CovalentContact SG-SG 2Å; C335-C358 PolarHBondContact SG-SG 3.07Å
359H58.4Low59.9Low143 Ų143126.9 Ų126.966%0.66260%0.596SS**PPolyproline II helixtrans-87.3127.9166.7-89.4-79.9000109.8K357 K361 T362K357-H359 PolarHBondContact O-N 3.33Å; H359-K361 PolarHBondContact O-N 3.3Å; H359-T362 PolarHBondContact O-N 3.11Å; H359-T362 PolarHBondContact O-OG1 3.39Å
360E57.2Low58Low164 Ų164124.1 Ų124.177%0.76659%0.588SS**THydrogen-bonded Turntrans-52.9-21.3-175.8-162.8163.4168.500114.8T362 L363E360-T362 PolarHBondContact O-N 2.88Å; E360-L363 PolarHBondContact O-N 2.89Å
361K51.2Low56.4Low184 Ų184123.8 Ų123.880%0.859%0.586SS**THydrogen-bonded Turntrans-63.4-7.4178.6-62.9-176.2179.9-178.80115.2H359H359-K361 PolarHBondContact O-N 3.3Å
362T53.4Low55Low66 Ų66132.3 Ų132.341%0.40562%0.617SS.*Hα-helixtrans-88.3-16.2-179440000114H359 E360 D364 V366H359-T362 PolarHBondContact O-N 3.11Å; H359-T362 PolarHBondContact O-OG1 3.39Å; E360-T362 PolarHBondContact O-N 2.88Å; T362-D364 VanDerWaalsContact C-N 3.33Å; T362-D364 PolarHBondContact O-N 3.47Å; T362-V366 WeakPolarHBondContact O-CB 3.26Å; T362-V366 WeakPolarHBondContact O-CG2 3.22Å; T362-V366 PolarHBondContact O-N 2.89Å
363L54Low54Low112 Ų112131.7 Ų131.759%0.58662%0.619SS**Hα-helixtrans-67.8-32.7177.4-76.5166.2000112.6E360 V366 K367E360-L363 PolarHBondContact O-N 2.89Å; L363-V366 PolarHBondContact O-N 3.33Å; L363-K367 PolarHBondContact O-N 3.44Å
364D50Low53.3Low115 Ų115131.5 Ų131.562%0.61562%0.615SS**Hα-helixtrans-76.6-32.9178.7-67.2-45000113.6T362 V366T362-D364 VanDerWaalsContact C-N 3.33Å; T362-D364 PolarHBondContact O-N 3.47Å; D364-V366 VanDerWaalsContact C-N 3.28Å
365H52.1Low52.1Low121 Ų121133.9 Ų133.956%0.5663%0.634SS**Hα-helixtrans-70.6-31.4174.1-156.7-48000111.4R368 E369H365-R368 PolarHBondContact O-N 2.97Å; H365-E369 PolarHBondContact O-N 3.22Å
366V51.9Low52Low35 Ų35127.7 Ų127.721%0.21262%0.617CS.*Hα-helixtrans-74.7-33.3-179.2168.10000112.1T362 L363 D364 R368 E369 D370T362-V366 WeakPolarHBondContact O-CB 3.26Å; T362-V366 WeakPolarHBondContact O-CG2 3.22Å; T362-V366 PolarHBondContact O-N 2.89Å; L363-V366 PolarHBondContact O-N 3.33Å; D364-V366 VanDerWaalsContact C-N 3.28Å; V366-R368 VanDerWaalsContact C-N 3.26Å; V366-R368 PolarHBondContact O-N 2.64Å; V366-E369 PolarHBondContact O-N 2.84Å; V366-D370 PolarHBondContact O-N 2.99Å; V366-D370 VanDerWaalsContact O-N 3.16Å
367K48.6Very low51.6Low156 Ų156131.2 Ų131.268%0.67863%0.627SS**Hα-helixtrans-64.7-30.7173.6-151.2173-174.2-179.30112.2L363 T371L363-K367 PolarHBondContact O-N 3.44Å; K367-T371 WeakPolarHBondContact O-CG2 3.22Å; K367-T371 PolarHBondContact O-N 3.33Å; K367-T371 PolarHBondContact O-OG1 3.39Å
368R47.9Very low51Low175 Ų175128.1 Ų128.166%0.6662%0.617SS**Hα-helixtrans-72.5-33.3175.4-68.8-175.8-162.3161.34.8113.5H365 V366 T371 R372H365-R368 PolarHBondContact O-N 2.97Å; V366-R368 VanDerWaalsContact C-N 3.26Å; V366-R368 PolarHBondContact O-N 2.64Å; R368-T371 WeakPolarHBondContact CA-OG1 3.36Å; R368-T371 PolarHBondContact O-OG1 2.94Å; R368-R372 WeakPolarHBondContact O-CB 3.29Å; R368-R372 PolarHBondContact O-N 2.86Å; R368-R372 VanDerWaalsContact O-N 3.16Å
369E50.9Low50.6Low115 Ų115133.5 Ų133.554%0.53764%0.639SS.*Hα-helixtrans-72.5-39175-71.6-171.8159.900111.8H365 V366 T371 R372 N373H365-E369 PolarHBondContact O-N 3.22Å; V366-E369 PolarHBondContact O-N 2.84Å; E369-T371 VanDerWaalsContact C-N 3.28Å; E369-T371 PolarHBondContact O-N 3.09Å; E369-R372 PolarHBondContact O-N 3.01Å; E369-R372 VanDerWaalsContact O-N 3.13Å; E369-N373 PolarHBondContact O-N 3.15Å
370D48.7Very low50.1Low81 Ų81132.9 Ų132.943%0.43364%0.637SS.*Hα-helixtrans-64.3-31.8175.2-72.5-23.3000111.5R337 V366 M374R337-D370 IonicContact CZ-OD2 3.31Å; R337-D370 IonicContact NH1-OD1 3.76Å; R337-D370 IonicContact NH1-OD2 3.78Å; R337-D370 PolarHBondContact NH1-OD2 2.81Å; R337-D370 IonicContact NH2-OD2 3.75Å; V366-D370 PolarHBondContact O-N 2.99Å; V366-D370 VanDerWaalsContact O-N 3.16Å; D370-M374 WeakPolarHBondContact O-CG 3.44Å
371T51.8Low49.6Very low84 Ų84130.9 Ų130.952%0.51563%0.629SS.*Hα-helixtrans-77.8-23.5172.352.20000114.5K367 R368 E369K367-T371 WeakPolarHBondContact O-CG2 3.22Å; K367-T371 PolarHBondContact O-N 3.33Å; K367-T371 PolarHBondContact O-OG1 3.39Å; R368-T371 WeakPolarHBondContact CA-OG1 3.36Å; R368-T371 PolarHBondContact O-OG1 2.94Å; E369-T371 VanDerWaalsContact C-N 3.28Å; E369-T371 PolarHBondContact O-N 3.09Å
372R51.4Low49.5Very low209 Ų209127.1 Ų127.179%0.78962%0.616SS**Hα-helixtrans-85.2-20.5-177.4-153.2178.9-164.4128.61.2113.1R368 E369 M374R368-R372 WeakPolarHBondContact O-CB 3.29Å; R368-R372 PolarHBondContact O-N 2.86Å; R368-R372 VanDerWaalsContact O-N 3.16Å; E369-R372 PolarHBondContact O-N 3.01Å; E369-R372 VanDerWaalsContact O-N 3.13Å; R372-M374 VanDerWaalsContact C-N 3.34Å
373N46.7Very low49.2Very low142 Ų142131.8 Ų131.876%0.75963%0.633SS**THydrogen-bonded Turntrans-89.94.1172-79-28.2000113.4E369E369-N373 PolarHBondContact O-N 3.15Å
374M46.9Very low48.8Very low155 Ų155133.4 Ų133.476%0.76464%0.637SS**  trans-111.6-1.9179.2-76.4-80.8159.400113.3D370 R372D370-M374 WeakPolarHBondContact O-CG 3.44Å; R372-M374 VanDerWaalsContact C-N 3.34Å
375L39Very low48.7Very low213 Ų213135.1 Ų135.1100%1.11564%0.639SS**  trans-109.50170.3-77.5160.9000108.1

Retrieved 375 of 375 residues in 347.2 ms (Link to these results)