A0A060VW44_ONCMY Loading...

Sp5 transcription factor a

AlphaFold DB , UniProt , Accession A0A060VW44, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110520096, Length 374 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36Very low32.6Very low233 Ų233144.7 Ų144.7100%1.14883%0.825SS**  084.70-52.7-50-176.700107
2A32Very low32.5Very low100 Ų100146.4 Ų146.483%0.82683%0.828SS**  81.4139.975.300000112
3A31.7Very low32.5Very low91 Ų91150.5 Ų150.575%0.75284%0.836SS**  cis-162.7145.5-16.700000111.5
4V31.4Very low32.3Very low133 Ų133145.1 Ų145.181%0.80682%0.82SS**  trans23.4124133.8-1730000121.5V6V4-V6 HydrophobicContact CG1-CG2 4.24Å
5A31.2Very low32Very low94 Ų94148.2 Ų148.278%0.77782%0.822SS**  -173.6128.1129.900000107
6V32.9Very low32Very low119 Ų119148.8 Ų148.872%0.72182%0.822SS**  cis63.397.324.7-169.30000114.6V4V4-V6 HydrophobicContact CG1-CG2 4.24Å
7L35.4Very low32Very low177 Ų177150.4 Ų150.493%0.92782%0.822SS**  trans-141120.1140.8-96.2174.5000109.8
8R35.9Very low31.8Very low208 Ų208149.6 Ų149.679%0.78582%0.817SS**  trans-75.2161.8162.2-67.5169.1163.1169.3-9.4108.8
9N27.9Very low31.6Very low157 Ų157154.8 Ų154.884%0.8482%0.823SS**  -149.7139.7118.9-1461.8000112.9
10E32.2Very low31.7Very low154 Ų154153.5 Ų153.572%0.7282%0.821SS**  trans-106.9147.8172.8-60.8-177.4155.600108.9
11T32.2Very low32.2Very low126 Ų126151 Ų15177%0.77381%0.814SS**  trans172.5127.2160.617.80000106.1
12L31Very low31.7Very low165 Ų165147.2 Ų147.286%0.86480%0.798SS**  cis-140.5139.111.4-82.6147.4000110
13Q32.5Very low31.5Very low200 Ų200148 Ų14894%0.93580%0.797SS**  trans-127.9115161.5-164.3-175.131.600107.4
14A29.6Very low31.1Very low74 Ų74149 Ų14961%0.61280%0.799SS**  trans-165.8147.416800000111.3
15F28.6Very low31.7Very low192 Ų192147.8 Ų147.884%0.84279%0.794SS**  trans66114.9171.7-61.6-80.3000115.9
16L31.4Very low31.6Very low158 Ų158152.2 Ų152.283%0.82780%0.798SS**  cis-149.8153.86.6-87.2159.1000110.7
17Q31.9Very low31.4Very low176 Ų176153.3 Ų153.382%0.82280%0.8SS**  trans-117.9150162.3-93.7178.8-40.400111
18D28.1Very low31Very low135 Ų135149.5 Ų149.572%0.72279%0.787SS**  trans53.9115.3157.2-62-21.4000122.1
19R28.9Very low30.6Very low249 Ų249147.2 Ų147.294%0.9478%0.783SS**  -141.9126.5115.4-70.3-162.4178.2172.3-0.5111.7
20T32.3Very low30.8Very low129 Ų129148.2 Ų148.279%0.79178%0.782SS**  trans-112.9-171.8156.663.60000107.2
21P43Very low30.6Very low101 Ų101146.3 Ų146.366%0.65679%0.786SS**  cis-129.9173.5-14.240.9-26.4000113.7
22N25.4Very low30.9Very low153 Ų153145.4 Ų145.482%0.81878%0.783SS**  172160.9123.2-102.7-32000116.7
23S27.3Very low30.9Very low117 Ų117146.2 Ų146.282%0.81879%0.787SS**  trans65.9116.6160.649.50000121.1
24S24.8Very low30.8Very low113 Ų113141.4 Ų141.479%0.7978%0.781SS**  trans-88.3-174.5157.4-147.20000109.6
25P42.8Very low30.9Very low107 Ų107145.7 Ų145.770%0.69579%0.793SS**  cis-126.6178.5-18.932.3-12.8000113.2
26E29.3Very low31.1Very low186 Ų186143.8 Ų143.887%0.86979%0.791SS**  177.4126.9124.9-98-175.6-176.900116.2
27N29.4Very low30.9Very low142 Ų142140.9 Ų140.976%0.75979%0.789SS**  trans-0.5124.1156.8-84.8-43.4000122.7
28C25.8Very low30.9Very low97 Ų97137.1 Ų137.166%0.65579%0.788SS**  177.5116.290.3-102.80000116.4
29K28Very low31.1Very low160 Ų160137.1 Ų137.170%0.69679%0.793SS**  trans53.7114.4131.1-53.6172-173.8173.20121.2
30H33.3Very low31.2Very low178 Ų178131.3 Ų131.382%0.82479%0.789SS**  146.486.3123.4-69.9109.3000114.7
31S27.5Very low31.1Very low115 Ų115132.9 Ų132.980%0.80479%0.793SS**  trans10.4160.8132.5-1460000121.4
32P37.5Very low30.5Very low107 Ų107139.5 Ų139.570%0.69581%0.805SS**  cis-136.3163.4-4336-20.7000114.2
33L31Very low30.7Very low182 Ų182140.5 Ų140.595%0.95381%0.809SS**  trans17783.1139.5-101.9165.3000111.9
34A30.5Very low30.7Very low99 Ų99138.5 Ų138.582%0.81881%0.806SS**  trans-154.294.1169.500000110.7
35L32.4Very low31Very low163 Ų163141.8 Ų141.885%0.85381%0.809SS**  trans-164.6132.7178.6-99167.9000105.8
36L32.2Very low30.3Very low153 Ų153145 Ų14580%0.80181%0.814SS**  cis-125.1157.12.1-80.482.4000111
37A28.2Very low30.3Very low96 Ų96144.4 Ų144.479%0.79381%0.811SS**  trans-127.9147.8149.400000109.6
38A30.4Very low30.1Very low97 Ų97141 Ų14180%0.80281%0.809SS**  trans63.4117.5165.400000120.1
39T33.7Very low30.2Very low135 Ų135142.6 Ų142.683%0.82882%0.822SS**  trans-126.597.1141.549.30000110.1
40C30.5Very low30.1Very low127 Ų127140.2 Ų140.286%0.85883%0.825SS**  trans37.6124.1147.8-56.60000122.4
41N30.7Very low30.4Very low163 Ų163137.3 Ų137.387%0.87282%0.822SS**  trans-57.9147153.9-72.6-40.7000112.9
42R29.2Very low30.4Very low239 Ų239135.6 Ų135.690%0.90282%0.815SS**  trans-143104.4149.2-94.2-168.7-176.4-167.11.9112.1
43I30.4Very low29.9Very low174 Ų174138.1 Ų138.189%0.89282%0.823SS**  trans33.2122.5137.2-52173.4000118.5
44G28.1Very low29.8Very low75 Ų75138.5 Ų138.577%0.77382%0.817SS**  trans179.677.9163.500000113.4
45H30.8Very low29.7Very low182 Ų182141.2 Ų141.284%0.84382%0.817SS**  trans-77.2135.1167.9-94.5-94.5000110.2
46H27.6Very low29.5Very low174 Ų174140.7 Ų140.781%0.80681%0.81SS**  trans-163.1142.1139.5-92.6-73.7000109.9
47H29.3Very low29.3Very low174 Ų174139.4 Ų139.481%0.80681%0.808SS**  trans-2.8138.1160.9-46.8-109.5000117.5
48G24.8Very low29.6Very low70 Ų70140.1 Ų140.172%0.72281%0.805SS**  cis103.395.725.500000110.8
49S27.6Very low29.4Very low132 Ų132144.8 Ų144.892%0.92380%0.803SS**  trans-179.1140.9157.8-81.50000111.8
50S26.4Very low29.1Very low109 Ų109146.1 Ų146.176%0.76281%0.805SS**  trans-137134.9159.2177.80000105.8
51P40.3Very low29Very low117 Ų117144.9 Ų144.976%0.7679%0.794SS**  -129.4156.999.99.213.7000110.9
52A27.5Very low29Very low79 Ų79142.8 Ų142.865%0.65379%0.787SS**  cis75.196.149.100000114.7
53D26.2Very low29Very low161 Ų161139.7 Ų139.786%0.86179%0.788SS**  trans-163.3106.8153.5-87.7-35.6000105.1
54F28.4Very low28.8Very low189 Ų189134.9 Ų134.983%0.82978%0.781SS**  46.3108.575.9-92.9-82.7000115.4
55L30.1Very low28.9Very low156 Ų156137 Ų13782%0.81778%0.784SS**  -166.9164.2118.6-97.8175000110.7
56Q28.2Very low29Very low152 Ų152134 Ų13471%0.7178%0.781SS**  trans-80.9163.1-156.6-72.7112.9-38.600118
57V27.7Very low28.9Very low126 Ų126130.9 Ų130.976%0.76478%0.778SS**  trans-38.9156.3153.9-134.50000113
58P33.8Very low29.1Very low112 Ų112134.1 Ų134.173%0.72778%0.783SS**  -121.3143.9114.234.7-32.8000112.9
59Y26.2Very low29.2Very low194 Ų194137 Ų13776%0.76178%0.781SS**  trans-64.9149.4160.649.8-86.3000109
60D26.4Very low29.1Very low163 Ų163140.4 Ų140.487%0.87278%0.78SS**  trans-142.1151.6152.4-147.3-16.1000110.3
61T28.8Very low29.3Very low101 Ų101142.7 Ų142.762%0.6278%0.778SS**  trans-124.2144.8-164-36.80000110.3
62T30.4Very low28.7Very low119 Ų119142.8 Ų142.873%0.7378%0.778SS**  trans93.2144.3163.579.40000119.4
63L30.9Very low28.7Very low175 Ų175150.7 Ų150.792%0.91679%0.791SS**  trans74.2120.7161.9-52.2-176.6000120.1
64G26.3Very low28.7Very low73 Ų73147.9 Ų147.975%0.75378%0.784SS**  trans129.862.8146.400000118.1P66G64-P66 WeakPolarHBondContact O-CD 3.19Å
65S28.7Very low28.6Very low120 Ų120146.2 Ų146.284%0.83978%0.784SS**  trans-64.3135.8163-54.70000111.6
66P32.5Very low28.5Very low118 Ų118147.2 Ų147.277%0.76679%0.785SS**  trans-110.2103.215826.8-11.2000110.5G64 R68G64-P66 WeakPolarHBondContact O-CD 3.19Å; P66-R68 PolarHBondContact O-N 3.1Å
67S26.8Very low28.4Very low108 Ų108143.2 Ų143.276%0.75579%0.785SS**  trans-56.5118.9170.8-54.80000111I69S67-I69 PolarHBondContact O-N 3.49Å
68R32.6Very low28.3Very low242 Ų242144.9 Ų144.991%0.91379%0.789SS**  trans-80.3101.2170-79.4-167.8178.4-173.91.8110.6P66 F70P66-R68 PolarHBondContact O-N 3.1Å; R68-F70 PolarHBondContact O-N 3.4Å
69I28.5Very low28.5Very low132 Ų132145 Ų14568%0.67779%0.79SS**PPolyproline II helixtrans-62.4126.1169.7-64.5166000109.2S67S67-I69 PolarHBondContact O-N 3.49Å
70F25.4Very low28.6Very low203 Ų203144.4 Ų144.489%0.8979%0.794SS**PPolyproline II helixtrans-83.7116.1166.8-96.7-94.9000109.3R68R68-F70 PolarHBondContact O-N 3.4Å
71H29.3Very low28.7Very low157 Ų157142.5 Ų142.573%0.72779%0.794SS**PPolyproline II helixtrans-86136165.8-74.2-86.2000110.4
72P29Very low28.6Very low118 Ų118143.3 Ų143.377%0.76680%0.799SS**PPolyproline II helixtrans-73.8134.8169.730.9-32.7000110.1S74P72-S74 PolarHBondContact O-N 3.05Å
73W26Very low28.5Very low245 Ų245145.3 Ų145.393%0.92880%0.804SS**  trans-84.4108.6-176.9-163.7-30.5000111.1
74S25.8Very low28.2Very low102 Ų102142 Ų14271%0.71380%0.795SS**  trans-78.3125.2167.6-59.60000111.3P72 E76P72-S74 PolarHBondContact O-N 3.05Å; S74-E76 PolarHBondContact O-N 2.84Å
75N28.3Very low28.3Very low155 Ų155144.3 Ų144.383%0.82980%0.8SS**  trans-91.6102.2-172-167.349.7000111.7
76E26.9Very low28.3Very low176 Ų176146.2 Ų146.282%0.82280%0.801SS**  trans-129.6138.8178.1-89.1-69.7160.300111.6S74S74-E76 PolarHBondContact O-N 2.84Å
77G25.3Very low28.1Very low69 Ų69146.4 Ų146.471%0.71181%0.805SS**  trans39.5121.8154.800000123.3
78N26.9Very low28.2Very low160 Ų160147.1 Ų147.186%0.85681%0.805SS**  trans-148.1156.9141.4-137.512.6000108.7
79P38Very low28Very low114 Ų114145.7 Ų145.774%0.7481%0.806SS**  -120.8-171-119.821.93000113.8
80Q27.7Very low27.8Very low183 Ų183142.4 Ų142.486%0.85581%0.805SS**  trans-51.1146.6-177.3-63.2175.9-33.400114.9
81S28.5Very low28Very low123 Ų123140.9 Ų140.986%0.8681%0.805SS**  trans-125.2146.8141.849.20000108.6
82T27.8Very low27.8Very low118 Ų118138.2 Ų138.272%0.72480%0.804SS**  trans-90.4145.2-167.243.20000112.3
83L28.1Very low27.9Very low160 Ų160137.2 Ų137.284%0.83880%0.8SS**  173114.1123.1-91.7159.9000113
84S25Very low28.3Very low106 Ų106134.8 Ų134.874%0.74180%0.796SS**  trans14.5126148.4-48.90000121.8
85S28.1Very low28.5Very low122 Ų122135.3 Ų135.385%0.85380%0.799SS**  -164.7150.110935.80000112
86N28.1Very low28.8Very low159 Ų159136.5 Ų136.585%0.8580%0.8SS**  trans-84.5149.3-169-60.8-31.7000113.1
87S27.3Very low28.9Very low123 Ų123136.1 Ų136.186%0.8680%0.803SS**  trans-161.6150.8132.731.80000111.9
88T29.7Very low29.1Very low123 Ų123140 Ų14076%0.75580%0.802SS**  trans-94-176.5-166.1-39.50000111.9
89F28.4Very low29.3Very low211 Ų211140.4 Ų140.493%0.92580%0.803SS**  trans81.4135.2-179.4-52.6-79.9000114.8
90G24.6Very low29Very low64 Ų64142.4 Ų142.466%0.6680%0.802SS**  cis144.5128.3-600000112.5
91L29.8Very low29.1Very low170 Ų170139 Ų13989%0.8980%0.798SS**  trans72.3115.7171.3-52.4173000115.2
92S25.4Very low29.3Very low101 Ų101137.8 Ų137.871%0.70679%0.79SS**  92.8139.884.9-1600000111
93S31.1Very low29.3Very low97 Ų97142.6 Ų142.668%0.67880%0.801SS**  cis-158.4151.128.2-400000113.7
94K32.7Very low29.5Very low195 Ų195140.9 Ų140.985%0.84880%0.798SS**  trans38.8119.5134.3-59.7174.9179.7178.90121.4
95S31.4Very low29.6Very low112 Ų112141.6 Ų141.678%0.78380%0.803SS**  166.998.610658.80000109.1
96Q33.2Very low29.9Very low181 Ų181144.2 Ų144.285%0.84680%0.801SS**  53.8108.977.9-166.2177.313.500113.9
97L29.9Very low30Very low168 Ų168145.9 Ų145.988%0.8880%0.803SS**  -158.3134.5126-104.5173.2000110.8
98H30.2Very low30.2Very low150 Ų150148.4 Ų148.469%0.69480%0.802SS**  trans-85.2158.6170.5-116.161.4000109.3
99I31.4Very low30.5Very low169 Ų169149.9 Ų149.987%0.86780%0.804SS**  -166139125.3-95.1148.6000107.9
100Q30.7Very low30.8Very low156 Ų156146 Ų14673%0.72980%0.8SS**  trans-101.7170.8-179.1-75.2-175.4-66.400112.1
101S30.7Very low31.2Very low110 Ų110150.4 Ų150.477%0.76981%0.807SS**  trans79.5157.415485.70000116.3
102S32Very low31.2Very low99 Ų99149 Ų14969%0.69281%0.806SS**  cis174.5126.2-29.4-88.60000103.7
103F27.2Very low32Very low218 Ų218149.9 Ų149.996%0.95681%0.809SS**  trans-154.5128.7153-109.9-73.1000111.3
104T31.8Very low32.4Very low125 Ų125151.2 Ų151.277%0.76782%0.816SS**  trans-104.1140.5177.445.10000110.2
105S28.9Very low32.4Very low121 Ų121146.3 Ų146.385%0.84681%0.812SS**  trans-160126.2150.154.30000110.9
106H33.3Very low32.3Very low176 Ų176148.4 Ų148.482%0.81581%0.814SS**  trans-75.4152.5172.7-67.1-117.4000111
107H30.7Very low32.8Very low194 Ų194145.7 Ų145.790%0.89881%0.812SS**  -158.2148.7129.6-129.1-89.2000112.2
108E31.1Very low32.8Very low177 Ų177142.6 Ų142.683%0.82780%0.804SS**  trans-88.7171.7-175.4-65.9-145103.200114.7
109L34.9Very low32.8Very low153 Ų153146 Ų14680%0.80181%0.813SS**  trans-58.4164.6177.8-65.9161.5000113.7
110P36.8Very low33.2Very low129 Ų129143.6 Ų143.684%0.83881%0.808SS**  -136.2165.1101.432-17.8000115.5
111L31.8Very low33.2Very low157 Ų157146.8 Ų146.882%0.82282%0.815SS**  trans-76.8148.1-177.6-65.8149.6000113.3
112T30.9Very low33Very low140 Ų140148.4 Ų148.486%0.85982%0.815SS**  trans-173.1144.4134.217.90000111.2
113P42.3Very low33Very low120 Ų120153 Ų15378%0.77982%0.823SS**  trans-109.5156.5179.639.4-32.5000114.3
114P39.4Very low33.1Very low125 Ų125147.6 Ų147.681%0.81281%0.812SS**  trans-130.1160.6149.238.1-26.8000111.8
115A32.2Very low33.3Very low93 Ų93147 Ų14777%0.76981%0.811SS**  cis-165.6142.3-22.900000106.7
116D29.7Very low33.4Very low156 Ų156147.6 Ų147.683%0.83481%0.809SS**  trans-74.5152.1174.1-77.4-47.6000112.2
117P41.9Very low33.3Very low123 Ų123146 Ų14680%0.79981%0.806SS**  trans-123107.9141.632.9-22.6000111.2
118S30.6Very low33.4Very low103 Ų103145.2 Ų145.272%0.7281%0.805SS**  trans-71.7133.2177.2-40.60000112.3
119Y30.1Very low33.4Very low222 Ų222144.2 Ų144.287%0.87180%0.804SS**  trans-141.1129.3156.6-103.2-83.2000109.8
120P39.6Very low33.6Very low119 Ų119142.3 Ų142.377%0.77380%0.801SS**PPolyproline II helixtrans-83138.3-176.733-34.2000112.1
121Y30.1Very low33.1Very low222 Ų222142.7 Ų142.787%0.87181%0.805SS**PPolyproline II helixtrans-95.3116165-111.1-90.5000109.5
122D28Very low33Very low144 Ų144140.1 Ų140.177%0.7780%0.801SS**PPolyproline II helixtrans-82.6126.4-178.8-153.1-23.9000110.9
123F31.5Very low33.3Very low197 Ų197141.8 Ų141.886%0.86480%0.801SS**  trans-10088.5179.8-104-84.8000110.1
124S28.4Very low33Very low103 Ų103144.9 Ų144.972%0.7281%0.805SS**  trans-88.6122.5166.4-78.30000111.2
125P36.2Very low32.5Very low114 Ų114144.1 Ų144.174%0.7480%0.803SS**  trans-77.6127.3175.830.4-33000111.3N127P125-N127 PolarHBondContact O-N 3.05Å
126V32.3Very low32.7Very low132 Ų132147.4 Ų147.480%0.881%0.807SS**  trans-75.8106.5172.6-179.30000109.3M128V126-M128 PolarHBondContact O-N 3.24Å
127N31.5Very low32.8Very low142 Ų142149.5 Ų149.576%0.75981%0.811SS**  trans-61.7121.5173.1-86.4-30.6000111.3P125P125-N127 PolarHBondContact O-N 3.05Å
128M32.1Very low32.4Very low178 Ų178149.1 Ų149.188%0.87781%0.811SS**  trans-76.6119.4162.8-77.8-79153.700109.1V126V126-M128 PolarHBondContact O-N 3.24Å
129L31.3Very low32.3Very low156 Ų156150 Ų15082%0.81782%0.818SS**  trans-116.8144.7166.9-85.4166000110.2
130P38.5Very low32.4Very low113 Ų113145.3 Ų145.373%0.73482%0.816SS**  trans-85.4150.1-16133.3-36.6000114S132P130-S132 PolarHBondContact O-N 3.46Å
131C26.5Very low32.8Very low137 Ų137145.2 Ų145.293%0.92682%0.815SS**  trans-70.1113.2165.3-104.50000110.6
132S30.2Very low33.6Very low104 Ų104140.5 Ų140.573%0.72781%0.812SS**  trans-89.1137.4165.748.10000110.9P130P130-S132 PolarHBondContact O-N 3.46Å
133M36.5Very low33.8Very low175 Ų175139.6 Ų139.686%0.86281%0.812SS**  trans-77.5132.4173.3-68.6-93.785.300110.2
134Q35.8Very low33.9Very low185 Ų185140.5 Ų140.586%0.86481%0.811SS**  trans-148.9116.9160.4-112156.123.600113.4
135S30.6Very low34.4Very low109 Ų109140.7 Ų140.776%0.76281%0.808SS**  trans32122.3149.6-158.40000121.7
136L34.7Very low34.8Very low162 Ų162140.8 Ų140.885%0.84881%0.808SS**  trans-28.5137.9142.5-69.1149.6000114.7
137Q32.9Very low34.7Very low200 Ų200139.1 Ų139.194%0.93581%0.808SS**  trans-152.9150.5136.2-111.7169.517.500110.9
138S33.2Very low34.8Very low114 Ų114138.9 Ų138.980%0.79781%0.811SS**  trans-106.5136.3-16351.20000113.5
139S29.4Very low34.6Very low122 Ų122135.3 Ų135.385%0.85380%0.804SS**  trans-167.9152150.2450000113.4
140C31.3Very low34.6Very low123 Ų123138.6 Ų138.683%0.83181%0.807SS**  trans-143.3172.6171.5-73.30000107.3
141P48.1Very low34.2Very low117 Ų117138 Ų13876%0.7681%0.812SS**  cis-105.1-102-15.626.1-3.7000108.9
142P46.9Very low34.4Very low123 Ų123135.9 Ų135.980%0.79981%0.805SS**  cis-103177.8-11.237.9-25.1000114.2
143T32.9Very low35Very low126 Ų126137.2 Ų137.277%0.77381%0.811SS**  trans-92.6148.8178.2-41.30000111.7
144Y32Very low34.9Very low216 Ų216135.5 Ų135.585%0.84781%0.81SS**  trans-142.5145.6161.5-163-105.8000112.5
145V39.1Very low34.5Very low107 Ų107131.4 Ų131.465%0.64881%0.808SS**  trans-127.5153.5-177.5-154.20000107.5
146P44.7Very low34.9Very low115 Ų115134.7 Ų134.775%0.74781%0.813SS**  trans-125.7147.1147.333.4-22.8000113
147A30.2Very low35.6Very low98 Ų98133.3 Ų133.381%0.8181%0.814SS**  trans-94.616417900000112.5
148V33.1Very low35.5Very low136 Ų136126.7 Ų126.782%0.82480%0.8SS**  trans-64.4148.3170.5-86.70000113.4
149S28.6Very low35.3Very low104 Ų104130.9 Ų130.973%0.72780%0.804SS**  trans-173.2131.9130.7-83.40000115
150Y31.4Very low35.3Very low224 Ų224131.7 Ų131.788%0.87880%0.803SS**  trans10.6133.8150.1-57-88.4000122.2
151A29.6Very low35.5Very low101 Ų101132 Ų13284%0.83580%0.802SS**  176.2156.396.900000112.6
152A31.2Very low34.6Very low93 Ų93130.1 Ų130.177%0.76980%0.804SS**  trans-95.5174.4177.400000112.5
153P43.4Very low33.9Very low131 Ų131132.8 Ų132.885%0.85181%0.805SS**  trans-133.1157134.237.2-27.6000114.6
154T32.7Very low33.8Very low140 Ų140132.2 Ų132.286%0.85981%0.807SS**  trans-109.9140.9-179-26.70000110.4
155A28.8Very low33.7Very low99 Ų99125.9 Ų125.982%0.81881%0.806SS**  trans-165.1139154.100000112.1
156M38.3Very low33.4Very low177 Ų177129 Ų12987%0.87282%0.819SS**  trans-114161.6170.5-69.8-80.1-166.500108.5
157P49.2Very low32.8Very low134 Ų134130.5 Ų130.587%0.8783%0.826SS**  -141.2176.280.933.2-14.1000112.9
158G31.5Very low32.9Very low61 Ų61133.6 Ų133.663%0.62982%0.823SS**  cis157.8126.7-6.300000112.1
159F27.8Very low32.9Very low201 Ų201134.5 Ų134.588%0.88282%0.818SS**  trans67149.4173.8-63-88.6000117
160V30.9Very low33Very low139 Ų139137 Ų13784%0.84282%0.818SS**  cis-140.717432.1-139.40000114.2
161T34.7Very low33.1Very low130 Ų130134.5 Ų134.580%0.79882%0.815SS**  trans-78.4156.7-168.1450000118.4
162G28.6Very low33.2Very low78 Ų78141.3 Ų141.380%0.80482%0.819SS**  trans-177.485.9167.400000118.2
163H33.3Very low33.1Very low178 Ų178144.6 Ų144.682%0.82482%0.818SS**  trans-5.3133.5164.1-79.8-104.8000124.3
164S31.3Very low32.3Very low115 Ų115146.5 Ų146.580%0.80482%0.82SS**  65.5125.5127.6-55.10000123
165G29.4Very low32.1Very low82 Ų82144.4 Ų144.485%0.84581%0.811SS**  trans163.686.515900000116.7
166L33.1Very low32.1Very low173 Ų173145.7 Ų145.791%0.90681%0.811SS**  trans-90.4129.8167.7-88.6165.6000110.7
167V31.4Very low31.6Very low147 Ų147142.5 Ų142.589%0.89181%0.807SS**  trans-139.3142.1160.3-172.60000110.3
168H32.8Very low31.2Very low162 Ų162142.3 Ų142.375%0.7581%0.805SS**  trans-94174.5-174.4-124.875.1000112.6
169Q31.8Very low31Very low156 Ų156142.9 Ų142.973%0.72981%0.811SS**  trans69.9150.5156.7-92.9170.7-58.600118
170Q31.2Very low31Very low156 Ų156142.4 Ų142.473%0.72981%0.812SS**  cis-154.4157.7-7.1-162.6157.5-5.500111
171Q34.9Very low31Very low172 Ų172143.9 Ų143.980%0.80482%0.815SS**  trans-62.1147.3166.3-71.7149.6-57.500112.3
172R30.3Very low31.1Very low244 Ų244145.1 Ų145.192%0.92182%0.815SS**  trans-114.9121.9154.9-105.5-167.3-73.7-104.72.6109.7
173Q29.9Very low31.4Very low161 Ų161145.7 Ų145.775%0.75281%0.805SS**  trans-88.9151.1163.3-64.2-166.5-2.300109.7
174L27.3Very low31.3Very low172 Ų172149.1 Ų149.190%0.90181%0.81SS**  trans-139110.9155.2-77.2176.7000108.7
175S27.1Very low31.4Very low95 Ų95153.1 Ų153.166%0.66481%0.808SS**  trans-88.8159.2160.1-500000109.2
176P30.2Very low31.5Very low127 Ų127154.1 Ų154.183%0.82580%0.802SS**  trans-134.2160.4132.527.4-11.3000113.5
177S27.6Very low31.5Very low110 Ų110154.7 Ų154.777%0.76981%0.805SS**  trans-148.1178.3174.2-53.60000107.3
178P40.4Very low31.6Very low129 Ų129155 Ų15584%0.83880%0.797SS**  -125.2169.9-78.837.9-24.4000113.4
179G26.2Very low31.5Very low73 Ų73155.8 Ų155.875%0.75380%0.8SS**  trans110.6120.4157.600000116.5
180E28.3Very low31.2Very low192 Ų192152 Ų15290%0.89780%0.803SS**  176132.4107.7-92.4-175.7173.900110.4
181D32Very low31Very low169 Ų169152 Ų15290%0.90481%0.808SS**  trans-91.4126.7-176.4-73.3-68.3000111.9
182I37.1Very low30.7Very low157 Ų157152 Ų15281%0.80581%0.808SS**  trans-128.3120.5168.2-54.8-179.3000109.6
183P33.5Very low30.6Very low90 Ų90145.6 Ų145.658%0.58480%0.796SS**  trans-76.3145.8-174.829.1-34.1000113.9W185P183-W185 VanDerWaalsContact C-N 3.28Å; P183-W185 PolarHBondContact O-N 3.16Å
184W32.2Very low30.6Very low249 Ų249143.7 Ų143.794%0.94380%0.8SS**SBendtrans-74.915.1-162.659.2-88.5000117.7
185W33.6Very low30.8Very low200 Ų200143.4 Ų143.476%0.75879%0.794SS**  trans-114.578.8177.667-85.4000111.7P183P183-W185 VanDerWaalsContact C-N 3.28Å; P183-W185 PolarHBondContact O-N 3.16Å
186S30.8Very low30.9Very low102 Ų102147.2 Ų147.271%0.71380%0.801SS**  trans-161.284.9168.4-82.80000112.3
187L33.2Very low30.8Very low185 Ų185148.8 Ų148.897%0.96980%0.797SS**  -168.8151.5125.3-126.274.6000110.3
188Q32.3Very low30.9Very low155 Ų155148 Ų14872%0.72479%0.792SS**  trans-125133.7-164.4179.4172.4-21.800112
189Q30.9Very low30.4Very low177 Ų177148.8 Ų148.883%0.82779%0.787SS**  trans64131.1158.6-71170.819.400120.7
190G25.8Very low30.6Very low77 Ų77151 Ų15179%0.79479%0.787SS**  trans-171.3121.5163.900000109.4
191N28.3Very low30.8Very low155 Ų155148.6 Ų148.683%0.82979%0.785SS**  trans-68.7150.6-176.2-71.1-39.3000112.6
192H27.8Very low30.7Very low174 Ų174148.7 Ų148.781%0.80678%0.78SS**  -178.6133.2112.8-108.5-111.6000115
193V28.8Very low30.8Very low108 Ų108147 Ų14766%0.65578%0.782SS**  trans54.3118.1144.5179.60000120.9
194S29.3Very low30.7Very low122 Ų122150.9 Ų150.985%0.85380%0.797SS**  trans-70125.5167.1-52.20000113
195H30.3Very low30.9Very low166 Ų166141.9 Ų141.977%0.76978%0.782SS**  trans-106.8117.5157.6-102.2-84.2000110.5H197H195-H197 PolarHBondContact O-N 3.49Å
196H30.5Very low31.2Very low175 Ų175140.5 Ų140.581%0.8178%0.784SS**  trans-81.9100.2175.7-152.9-84.9000109
197H28.6Very low31.4Very low159 Ų159145 Ų14574%0.73679%0.793SS**  trans-98.3102.4172.6-116.290.6000110.4H195 I199H195-H197 PolarHBondContact O-N 3.49Å; H197-I199 PolarHBondContact O-N 3.24Å; H197-I199 VanDerWaalsContact O-N 3.13Å
198S27.8Very low31.4Very low94 Ų94147.4 Ų147.466%0.65779%0.789SS**  trans-71.299.3172.1-59.20000109.6T200S198-T200 PolarHBondContact O-N 3.44Å
199I31.7Very low31.4Very low145 Ų145149.2 Ų149.274%0.74480%0.795SS**  trans-88.3104.1175.6-60.7177.9000109.3H197 T201H197-I199 PolarHBondContact O-N 3.24Å; H197-I199 VanDerWaalsContact O-N 3.13Å; I199-T201 PolarHBondContact O-N 3.16Å
200T28.8Very low31.5Very low121 Ų121147.4 Ų147.474%0.74279%0.786SS**  trans-59.8123.4171.6-27.90000109.8S198 Q202S198-T200 PolarHBondContact O-N 3.44Å; T200-Q202 PolarHBondContact O-N 3.47Å
201T33.2Very low32Very low140 Ų140151.8 Ų151.886%0.85979%0.791SS**  trans-76.293.2179.951.80000111.2I199I199-T201 PolarHBondContact O-N 3.16Å
202Q30.5Very low32.3Very low172 Ų172152.2 Ų152.280%0.80479%0.788SS**  trans-107.9147.3161.8-71.4-168.53.700111.4T200 L204T200-Q202 PolarHBondContact O-N 3.47Å; Q202-L204 PolarHBondContact O-N 3.01Å
203S37.9Very low32.8Very low122 Ų122155.3 Ų155.385%0.85379%0.792SS**  trans-47.9107.1-167.6179.30000115.8
204L32.7Very low33.2Very low170 Ų170153.7 Ų153.789%0.8980%0.797SS**  trans-124.794.7155.3-89.2166.5000109.6Q202Q202-L204 PolarHBondContact O-N 3.01Å
205G36.2Very low33.7Very low61 Ų61155.8 Ų155.863%0.62980%0.798SS**  trans-68.5149.616500000110.6
206H39.4Very low34.3Very low171 Ų171155 Ų15579%0.79280%0.804SS**SBendtrans57.283.1175.9-83.2-131.6000115.8
207H36Very low35.3Very low195 Ų195150.8 Ų150.890%0.90379%0.786SS**  -178.2101.1128-108.8-86.2000111.7
208R31.9Very low36.1Very low237 Ų237144.6 Ų144.689%0.89477%0.765SS**  trans-162.8152152.9-129.6169.9178.1152.80.2112.5
209F32.1Very low37.3Very low192 Ų192148.9 Ų148.984%0.84278%0.775SS**SBendtrans72.2113.8-166.5-59.4-79.6000113
210Q34.9Very low38.4Very low139 Ų139146.4 Ų146.465%0.6577%0.766SS**  cis-138.1138.414.4-63-173.5-12.600113.2
211L35.8Very low39.8Very low170 Ų170144.1 Ų144.189%0.8975%0.75SS**  trans-105.8112.4151.4-85169.2000107.1
212Q35Very low41.1Very low164 Ų164142.8 Ų142.877%0.76673%0.732SS**  177.9137122.9-99.5179.9-3.100112.5
213R36.4Very low42.6Very low239 Ų239137 Ų13790%0.90271%0.714SS**SBendtrans78108.3162.2-63.9173.2175.8172.3-1.9118.8
214G37.7Very low43.8Very low73 Ų73136.9 Ų136.975%0.75370%0.7SS**SBendtrans111.5104.8152.800000114.7
215L40.9Very low45.4Very low167 Ų167131 Ų13187%0.87467%0.666SS**  trans47.2114.7165.2-66.5164.5000117.1M217L215-M217 PolarHBondContact O-N 3.36Å
216V42.6Very low46.8Very low149 Ų149130 Ų13090%0.90365%0.645SS**  trans-65.2101.8162179.80000107.5
217M50.9Low48.2Very low87 Ų87126.5 Ų126.543%0.42964%0.636SS.*  trans-59.6138.9171.3-73.1-156-55.600109.5L215 D221 F222 Y225L215-M217 PolarHBondContact O-N 3.36Å; M217-D221 HydrophobicContact CB-CB 4.15Å; M217-D221 HydrophobicContact SD-CB 4.47Å; M217-F222 HydrophobicContact CE-CD2 4.41Å; M217-Y225 HydrophobicContact CE-CD1 4.18Å; M217-Y225 HydrophobicContact CE-CD2 4.13Å; M217-Y225 HydrophobicContact CE-CG 3.88Å
218G46.7Very low49.7Very low29 Ų29123.1 Ų123.130%0.29962%0.62SS.*  trans-60.5156.9177.500000111.3T220 D221 F222G218-T220 PolarHBondContact O-N 3.46Å; G218-T220 VanDerWaalsContact O-N 3.12Å; G218-D221 PolarHBondContact N-OD2 2.79Å; G218-D221 PolarHBondContact O-N 3.37Å; G218-F222 PolarHBondContact O-N 2.97Å
219H51.3Low51.5Low184 Ų184112 Ų11285%0.85258%0.579SS**Hα-helixtrans-56.5-30.4177.3-77.9-88000112.5A223H219-A223 WeakPolarHBondContact O-CB 3.22Å; H219-A223 PolarHBondContact O-N 2.03Å
220T55.1Low53.3Low92 Ų92104.2 Ų104.256%0.56455%0.55SS**Hα-helixtrans-64.5-46.5170.947.20000112.7G218 A223 Q224G218-T220 PolarHBondContact O-N 3.46Å; G218-T220 VanDerWaalsContact O-N 3.12Å; T220-A223 PolarHBondContact O-N 2.96Å; T220-Q224 WeakPolarHBondContact O-CG 3.42Å; T220-Q224 PolarHBondContact O-N 2.89Å
221D58.1Low55Low74 Ų74100 Ų10040%0.39654%0.539SS..Hα-helixtrans-74.8-36.1-172.3-43.3-25.8000110.1M217 G218 Q224 Y225M217-D221 HydrophobicContact CB-CB 4.15Å; M217-D221 HydrophobicContact SD-CB 4.47Å; G218-D221 PolarHBondContact N-OD2 2.79Å; G218-D221 PolarHBondContact O-N 3.37Å; D221-Q224 PolarHBondContact O-N 3.12Å; D221-Y225 WeakPolarHBondContact O-CB 3.48Å; D221-Y225 PolarHBondContact O-N 3.26Å
222F60.9Low56.7Low111 Ų11196.2 Ų96.249%0.48752%0.519SS..Hα-helixtrans-63.9-41.7171.1-174.3-98.1000112M217 G218 Y225 Q226M217-F222 HydrophobicContact CE-CD2 4.41Å; G218-F222 PolarHBondContact O-N 2.97Å; F222-Y225 PolarHBondContact O-N 2.83Å; F222-Q226 HydrophobicContact CD1-CG 4.18Å; F222-Q226 HydrophobicContact CE1-CG 3.81Å; F222-Q226 HydrophobicContact CZ-CG 4.01Å; F222-Q226 WeakPolarHBondContact O-CG 3.3Å; F222-Q226 PolarHBondContact O-N 3.08Å
223A61.2Low58.3Low52 Ų5289 Ų8943%0.4349%0.486SS..Hα-helixtrans-63.7-47.4175.300000111.4H219 T220 Y225 Q226 T227H219-A223 WeakPolarHBondContact O-CB 3.22Å; H219-A223 PolarHBondContact O-N 2.03Å; T220-A223 PolarHBondContact O-N 2.96Å; A223-Y225 VanDerWaalsContact C-N 3.35Å; A223-Y225 PolarHBondContact O-N 2.92Å; A223-Q226 PolarHBondContact O-N 3.17Å; A223-T227 PolarHBondContact O-N 3.05Å; A223-T227 PolarHBondContact O-OG1 2.8Å
224Q64Low59.6Low118 Ų11884 Ų8455%0.55147%0.473SS*.Hα-helixtrans-60.4-42.4175.5-70.7179.216.200112.3T220 D221 T227 Q228T220-Q224 WeakPolarHBondContact O-CG 3.42Å; T220-Q224 PolarHBondContact O-N 2.89Å; D221-Q224 PolarHBondContact O-N 3.12Å; Q224-T227 PolarHBondContact O-N 3.27Å; Q224-Q228 VanDerWaalsContact O-CG 3.31Å; Q224-Q228 WeakPolarHBondContact O-CG 3.47Å; Q224-Q228 PolarHBondContact O-N 2.62Å
225Y65.6Low60.4Low46 Ų4683.6 Ų83.618%0.1846%0.455CS..Hα-helixtrans-59.6-46.4175170.5-95.5000112M217 D221 F222 A223 Q228 I229 I272 H292M217-Y225 HydrophobicContact CE-CD1 4.18Å; M217-Y225 HydrophobicContact CE-CD2 4.13Å; M217-Y225 HydrophobicContact CE-CG 3.88Å; D221-Y225 WeakPolarHBondContact O-CB 3.48Å; D221-Y225 PolarHBondContact O-N 3.26Å; F222-Y225 PolarHBondContact O-N 2.83Å; A223-Y225 VanDerWaalsContact C-N 3.35Å; A223-Y225 PolarHBondContact O-N 2.92Å; Y225-Q228 PolarHBondContact O-N 3.01Å; Y225-I229 HydrophobicContact CD1-CD1 3.7Å; Y225-I229 HydrophobicContact CD2-CD1 4.25Å; Y225-I229 HydrophobicContact CE1-CD1 3.37Å; Y225-I229 HydrophobicContact CE2-CD1 3.97Å; Y225-I229 HydrophobicContact CG-CD1 4.14Å; Y225-I229 WeakPolarHBondContact O-CD1 3.46Å; Y225-I229 VanDerWaalsContact O-CG1 3.3Å; Y225-I229 WeakPolarHBondContact O-CG1 3.34Å; Y225-I229 PolarHBondContact O-N 2.92Å; Y225-I272 HydrophobicContact CE2-CG2 3.77Å; Y225-H292 WeakPolarHBondContact OH-CB 3.11Å; Y225-H292 PolarHBondContact OH-ND1 3.29Å
226Q66.1Low60.6Low41 Ų4185.1 Ų85.119%0.19246%0.455CS..Hα-helixtrans-61.5-44.2174.3-72.6-64.3-17.300111.8F222 A223 Q228 I229 A230 S293F222-Q226 HydrophobicContact CD1-CG 4.18Å; F222-Q226 HydrophobicContact CE1-CG 3.81Å; F222-Q226 HydrophobicContact CZ-CG 4.01Å; F222-Q226 WeakPolarHBondContact O-CG 3.3Å; F222-Q226 PolarHBondContact O-N 3.08Å; A223-Q226 PolarHBondContact O-N 3.17Å; Q226-Q228 PolarHBondContact O-N 3.14Å; Q226-I229 PolarHBondContact O-N 2.88Å; Q226-A230 WeakPolarHBondContact O-CB 3.01Å; Q226-A230 PolarHBondContact O-N 2.87Å; Q226-S293 PolarHBondContact NE2-O 3.35Å; Q226-S293 PolarHBondContact OE1-O 3.42Å; Q226-S293 VanDerWaalsContact OE1-O 3.09Å; Q226-S293 PolarHBondContact OE1-OG 2.82Å; Q226-S293 VanDerWaalsContact OE1-OG 3.05Å
227T69.4Low60.4Low98 Ų9880.6 Ų80.660%0.60143%0.43SS*.Hα-helixtrans-61.2-41.3176.4-540000112.2A223 Q224 A230 A231A223-T227 PolarHBondContact O-N 3.05Å; A223-T227 PolarHBondContact O-OG1 2.8Å; Q224-T227 PolarHBondContact O-N 3.27Å; T227-A230 PolarHBondContact O-N 2.97Å; T227-A231 WeakPolarHBondContact O-CB 3.25Å; T227-A231 PolarHBondContact O-N 2.82Å
228Q67.8Low59.9Low123 Ų12381.4 Ų81.458%0.57544%0.442SS*.Hα-helixtrans-62.9-41.3175.7-72.9174.427.700112Q224 Y225 Q226 A231 L232Q224-Q228 VanDerWaalsContact O-CG 3.31Å; Q224-Q228 WeakPolarHBondContact O-CG 3.47Å; Q224-Q228 PolarHBondContact O-N 2.62Å; Y225-Q228 PolarHBondContact O-N 3.01Å; Q226-Q228 PolarHBondContact O-N 3.14Å; Q228-A231 PolarHBondContact O-N 2.79Å; Q228-L232 WeakPolarHBondContact O-CG 3.43Å; Q228-L232 PolarHBondContact O-N 3.02Å; Q228-L232 VanDerWaalsContact O-N 3.07Å
229I70.1Confident59.7Low3 Ų386.5 Ų86.52%0.01546%0.461CS..Hα-helixtrans-70.6-42.4178.2-59.1158000111Y225 Q226 A231 L232 L233 I272 L289 H292Y225-I229 HydrophobicContact CD1-CD1 3.7Å; Y225-I229 HydrophobicContact CD2-CD1 4.25Å; Y225-I229 HydrophobicContact CE1-CD1 3.37Å; Y225-I229 HydrophobicContact CE2-CD1 3.97Å; Y225-I229 HydrophobicContact CG-CD1 4.14Å; Y225-I229 WeakPolarHBondContact O-CD1 3.46Å; Y225-I229 VanDerWaalsContact O-CG1 3.3Å; Y225-I229 WeakPolarHBondContact O-CG1 3.34Å; Y225-I229 PolarHBondContact O-N 2.92Å; Q226-I229 PolarHBondContact O-N 2.88Å; I229-A231 VanDerWaalsContact C-N 3.26Å; I229-A231 PolarHBondContact O-N 2.74Å; I229-L232 PolarHBondContact O-N 3.29Å; I229-L232 VanDerWaalsContact O-N 3.07Å; I229-L233 HydrophobicContact CG2-CD1 3.92Å; I229-L233 HydrophobicContact CG2-CG 4.27Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 3.3Å; I229-I272 HydrophobicContact CD1-CD1 4.14Å; I229-I272 HydrophobicContact CG1-CD1 3.94Å; I229-L289 HydrophobicContact CG2-CB 4.13Å; I229-L289 WeakPolarHBondContact CG2-O 3.47Å; I229-H292 HydrophobicContact CD1-CB 3.65Å; I229-H292 HydrophobicContact CG1-CB 4.46Å
230A69.6Low59.1Low30 Ų3081.5 Ų81.525%0.24845%0.452CS..Hα-helixtrans-58-39.4174.100000111.3Q226 T227 L233 H234Q226-A230 WeakPolarHBondContact O-CB 3.01Å; Q226-A230 PolarHBondContact O-N 2.87Å; T227-A230 PolarHBondContact O-N 2.97Å; A230-L233 PolarHBondContact O-N 3.42Å; A230-H234 WeakPolarHBondContact O-CB 3.45Å; A230-H234 PolarHBondContact O-N 2.73Å; A230-H234 PolarHBondContact O-ND1 3.17Å
231A69.9Low58.4Low51 Ų5182.8 Ų82.842%0.42146%0.46SS..Hα-helixtrans-62.6-44.2172.400000112.2T227 Q228 I229 L233 T235T227-A231 WeakPolarHBondContact O-CB 3.25Å; T227-A231 PolarHBondContact O-N 2.82Å; Q228-A231 PolarHBondContact O-N 2.79Å; I229-A231 VanDerWaalsContact C-N 3.26Å; I229-A231 PolarHBondContact O-N 2.74Å; A231-L233 VanDerWaalsContact C-N 3.29Å; A231-L233 PolarHBondContact O-N 3.24Å; A231-T235 VanDerWaalsContact O-CB 3.24Å; A231-T235 WeakPolarHBondContact O-CB 3.23Å; A231-T235 WeakPolarHBondContact O-CG2 3.35Å; A231-T235 PolarHBondContact O-N 3.29Å; A231-T235 PolarHBondContact O-OG1 2.89Å
232L71.8Confident57.5Low89 Ų8983.1 Ų83.147%0.46647%0.473SS..Hα-helixtrans-66.4-28.2176.1-66.8171.4000113.5Q228 I229 L289Q228-L232 WeakPolarHBondContact O-CG 3.43Å; Q228-L232 PolarHBondContact O-N 3.02Å; Q228-L232 VanDerWaalsContact O-N 3.07Å; I229-L232 PolarHBondContact O-N 3.29Å; I229-L232 VanDerWaalsContact O-N 3.07Å; L232-L289 HydrophobicContact CB-CD1 3.82Å; L232-L289 HydrophobicContact CD1-CD1 4.35Å; L232-L289 HydrophobicContact CD1-CD2 4.37Å
233L69Low56.7Low14 Ų1489.2 Ų89.27%0.07349%0.493CS..Hα-helixtrans-78.6-49.3176.3-70.1173000111.8I229 A230 A231 K286 L289 R290 E295I229-L233 HydrophobicContact CG2-CD1 3.92Å; I229-L233 HydrophobicContact CG2-CG 4.27Å; I229-L233 WeakPolarHBondContact O-CG 3.44Å; I229-L233 PolarHBondContact O-N 3.3Å; A230-L233 PolarHBondContact O-N 3.42Å; A231-L233 VanDerWaalsContact C-N 3.29Å; A231-L233 PolarHBondContact O-N 3.24Å; L233-K286 HydrophobicContact CD2-CB 4.27Å; L233-K286 VanDerWaalsContact CD2-O 3.26Å; L233-K286 WeakPolarHBondContact CD2-O 3.27Å; L233-K286 PolarHBondContact O-NZ 2.86Å; L233-L289 HydrophobicContact CD2-CB 3.77Å; L233-L289 HydrophobicContact CG-CB 4.25Å; L233-R290 HydrophobicContact CD1-CG 4.03Å; L233-R290 HydrophobicContact CD2-CG 3.95Å; L233-E295 WeakPolarHBondContact CD1-OE2 3.27Å
234H63.9Low56.1Low134 Ų13496.8 Ų96.862%0.6251%0.51SS*.Hα-helixtrans-91.1-13-172.5-65.3127.4000115.5A230 K236 E295A230-H234 WeakPolarHBondContact O-CB 3.45Å; A230-H234 PolarHBondContact O-N 2.73Å; A230-H234 PolarHBondContact O-ND1 3.17Å; H234-K236 PolarHBondContact O-N 2.64Å; H234-E295 IonicContact CE1-OE1 3.22Å; H234-E295 PolarHBondContact CE1-OE1 3.38Å; H234-E295 IonicContact CE1-OE2 3.99Å
235T54.5Low55Low63 Ų6394.6 Ų94.639%0.38751%0.507SS..  trans-60111.9166.344.50000110A231 S237 K286A231-T235 VanDerWaalsContact O-CB 3.24Å; A231-T235 WeakPolarHBondContact O-CB 3.23Å; A231-T235 WeakPolarHBondContact O-CG2 3.35Å; A231-T235 PolarHBondContact O-N 3.29Å; A231-T235 PolarHBondContact O-OG1 2.89Å; T235-S237 PolarHBondContact O-N 3.42Å; T235-K286 PolarHBondContact O-NZ 3.01Å
236K44.6Very low54.4Low200 Ų200103.1 Ų103.187%0.8754%0.539SS*.  trans-55.6113.5145.2-67.5177.4-177.8174.60104.5H234H234-K236 PolarHBondContact O-N 2.64Å
237S36.9Very low53.7Low54 Ų54112.5 Ų112.538%0.37857%0.573SS.*  trans-52137.4-166.153.60000111.8T235 L239 A240T235-S237 PolarHBondContact O-N 3.42Å; S237-L239 PolarHBondContact O-N 2.78Å; S237-A240 WeakPolarHBondContact O-CB 3.24Å; S237-A240 PolarHBondContact O-N 3.27Å
238P40.5Very low52.3Low104 Ų104111.8 Ų111.868%0.67557%0.571SS**G310 helixtrans-53.7-24.7171.8-27.235.3000113.3A240 T241P238-A240 PolarHBondContact O-N 3.03Å; P238-T241 PolarHBondContact O-N 3.14Å; P238-T241 VanDerWaalsContact O-N 3.12Å
239L44.3Very low51.3Low135 Ų135118 Ų11871%0.70759%0.589SS**G310 helixtrans-56.6-13.9170.4-70114.7000115.2S237S237-L239 PolarHBondContact O-N 2.78Å
240A38.1Very low50Low79 Ų79122 Ų12265%0.65362%0.616SS**G310 helixtrans-91.2-14.1177.800000114S237 P238S237-A240 WeakPolarHBondContact O-CB 3.24Å; S237-A240 PolarHBondContact O-N 3.27Å; P238-A240 PolarHBondContact O-N 3.03Å
241T39.2Very low49.1Very low119 Ų119127.3 Ų127.373%0.7365%0.648SS**  trans-103.812.1-179.9-33.80000112.8P238 R243P238-T241 PolarHBondContact O-N 3.14Å; P238-T241 VanDerWaalsContact O-N 3.12Å; T241-R243 PolarHBondContact O-N 2.77Å
242A40.9Very low48Very low81 Ų81131.5 Ų131.567%0.66966%0.664SS**  trans-71.373.8161.900000110.1R244A242-R244 PolarHBondContact O-N 2.82Å
243R42.7Very low46.5Very low239 Ų239131.7 Ų131.790%0.90267%0.671SS**  trans-61.489.8159.1-79-168.3-179.5-1502.5107.1T241 C245T241-R243 PolarHBondContact O-N 2.77Å; R243-C245 PolarHBondContact O-N 2.74Å
244R48.7Very low45.5Very low211 Ų211139.8 Ų139.880%0.79671%0.709SS**  trans-56.5103.7177.4-174.3178-72-163.2-4108A242 R246A242-R244 PolarHBondContact O-N 2.82Å; R244-R246 PolarHBondContact O-N 3.04Å
245C41.8Very low44.5Very low73 Ų73137.8 Ų137.849%0.49371%0.71SS.*  trans-6498176.7-179.10000108.7R243 R247 C248R243-C245 PolarHBondContact O-N 2.74Å; C245-R247 PolarHBondContact O-N 2.93Å; C245-R247 VanDerWaalsContact O-N 3.1Å; C245-C248 HydrophobicContact CB-CB 3.94Å; C245-C248 WeakPolarHBondContact CB-SG 3.49Å; C245-C248 WeakPolarHBondContact SG-CB 3.48Å; C245-C248 PolarHBondContact SG-N 3.28Å; C245-C248 CovalentContact SG-SG 2.05Å; C245-C248 PolarHBondContact SG-SG 2.8Å
246R52.4Low43.7Very low224 Ų224140.1 Ų140.185%0.84573%0.729SS**THydrogen-bonded Turntrans-74.710.5177.5-63.9-167.9-172.9-1318.3113.2R244R244-R246 PolarHBondContact O-N 3.04Å
247R50.9Low43.3Very low238 Ų238136.3 Ų136.390%0.89872%0.722SS**THydrogen-bonded Turntrans-144.319.2-173.3-145.868.3-177.1-177.4-0.5115.8C245C245-R247 PolarHBondContact O-N 2.93Å; C245-R247 VanDerWaalsContact O-N 3.1Å
248C40.5Very low43.4Very low84 Ų84137.7 Ų137.757%0.56873%0.732SS**  trans-108.686.8177.7-57.40000109.6C245 C250C245-C248 HydrophobicContact CB-CB 3.94Å; C245-C248 WeakPolarHBondContact CB-SG 3.49Å; C245-C248 WeakPolarHBondContact SG-CB 3.48Å; C245-C248 PolarHBondContact SG-N 3.28Å; C245-C248 CovalentContact SG-SG 2.05Å; C245-C248 PolarHBondContact SG-SG 2.8Å; C248-C250 VanDerWaalsContact C-N 3.25Å; C248-C250 PolarHBondContact O-N 3.2Å; C248-C250 VanDerWaalsContact O-N 3.15Å
249R47.3Very low43.3Very low254 Ų254139.8 Ų139.896%0.95874%0.737SS**  trans-87.962.5176.2-166.9-174.5-88.2-143.5-0.7110.1
250C43Very low43.1Very low85 Ų85139.3 Ų139.357%0.57474%0.736SS**  trans-103.2133.2-178.2-55.10000110.5C248 N252C248-C250 VanDerWaalsContact C-N 3.25Å; C248-C250 PolarHBondContact O-N 3.2Å; C248-C250 VanDerWaalsContact O-N 3.15Å; C250-N252 PolarHBondContact O-N 2.82Å; C250-N252 VanDerWaalsContact O-N 3.15Å
251P50.6Low43.6Very low143 Ų143142.2 Ų142.293%0.92974%0.735SS**THydrogen-bonded Turntrans-73.7-2.4-172.928.7-35.4000115.4
252N47Very low43.8Very low139 Ų139142.8 Ų142.874%0.74374%0.741SS**THydrogen-bonded Turntrans-126.742.3-176.6-157.49.9000113.6C250C250-N252 PolarHBondContact O-N 2.82Å; C250-N252 VanDerWaalsContact O-N 3.15Å
253C40.7Very low44.7Very low92 Ų92142.3 Ų142.362%0.62274%0.744SS**  trans-109.485.7167.9-1670000109.3S255C253-S255 PolarHBondContact O-N 3.08Å
254Q47.2Very low45.4Very low185 Ų185139.5 Ų139.586%0.86474%0.738SS**  trans-71.853.4170.4-62.9-171.21400111.4S256Q254-S256 PolarHBondContact O-N 3.05Å
255S42.3Very low46.2Very low92 Ų92138.7 Ų138.764%0.64374%0.741SS**  trans-71110.1158.858.50000107.1C253 T257C253-S255 PolarHBondContact O-N 3.08Å; S255-T257 PolarHBondContact O-N 3.33Å
256S37.6Very low47.6Very low112 Ų112142.3 Ų142.378%0.78375%0.748SS**  trans-45120.7-173.143.70000112.2Q254 S258Q254-S256 PolarHBondContact O-N 3.05Å; S256-S258 VanDerWaalsContact C-N 3.3Å; S256-S258 PolarHBondContact O-N 3.37Å
257T37.8Very low49Very low120 Ų120138 Ų13874%0.73674%0.737SS**  trans-65.292.5166.240.60000108.4S255 N259S255-T257 PolarHBondContact O-N 3.33Å; T257-N259 PolarHBondContact O-N 3.2Å
258S37.7Very low50.5Low82 Ų82128.9 Ų128.957%0.57371%0.705SS**  trans-65.1106160.953.50000107.2S256 D260S256-S258 VanDerWaalsContact C-N 3.3Å; S256-S258 PolarHBondContact O-N 3.37Å; S258-D260 VanDerWaalsContact CB-OD2 3.31Å; S258-D260 WeakPolarHBondContact CB-OD2 3.31Å; S258-D260 PolarHBondContact O-N 3.33Å; S258-D260 PolarHBondContact OG-OD2 3.32Å
259N38.5Very low52.6Low149 Ų149128.4 Ų128.480%0.79770%0.696SS**  trans-6877.4166.6-67.4-27.3000107.5T257 E261T257-N259 PolarHBondContact O-N 3.2Å; N259-E261 VanDerWaalsContact C-N 3.25Å; N259-E261 PolarHBondContact O-N 3.24Å
260D39.8Very low54.4Low125 Ų125116.5 Ų116.567%0.66865%0.651SS**  trans-74.880.2179.1-76-62.8000109.6S258S258-D260 VanDerWaalsContact CB-OD2 3.31Å; S258-D260 WeakPolarHBondContact CB-OD2 3.31Å; S258-D260 PolarHBondContact O-N 3.33Å; S258-D260 PolarHBondContact OG-OD2 3.32Å
261E49.2Very low56.2Low139 Ų139120.2 Ų120.265%0.6566%0.66SS**  trans-45.7120.2163.1-92.4-84.5111.300110.7N259 G263N259-E261 VanDerWaalsContact C-N 3.25Å; N259-E261 PolarHBondContact O-N 3.24Å; E261-G263 VanDerWaalsContact C-N 3.32Å; E261-G263 PolarHBondContact O-N 3.26Å
262P44.3Very low57.5Low132 Ų132114.3 Ų114.386%0.85762%0.621SS**THydrogen-bonded Turntrans-73.480.9-174.529.8-35.1000111.8
263G60.1Low58.9Low70 Ų70113.5 Ų113.572%0.72262%0.623SS**THydrogen-bonded Turntrans169.5-22.6173.900000116.3E261 K265E261-G263 VanDerWaalsContact C-N 3.32Å; E261-G263 PolarHBondContact O-N 3.26Å; G263-K265 PolarHBondContact O-N 3.37Å; G263-K265 VanDerWaalsContact O-N 3.17Å
264K55.8Low60.5Low181 Ų181113.8 Ų113.879%0.78764%0.641SS**  trans-77.6105.2-178.2-82.1176.1179166.40112K266K264-K266 PolarHBondContact O-N 3.15Å; K264-K266 VanDerWaalsContact O-N 3.08Å
265K65.7Low62.2Low193 Ų193106.1 Ų106.184%0.83961%0.608SS**  trans-59110.6170.7-67.6173.8-176.6167.80109.8G263 Q267G263-K265 PolarHBondContact O-N 3.37Å; G263-K265 VanDerWaalsContact O-N 3.17Å; K265-Q267 PolarHBondContact O-N 2.72Å
266K71.9Confident64Low149 Ų149104.1 Ų104.165%0.64860%0.602SS**  trans-57.6121.7179.3-167.3165.4-171.2162.30110.6K264K264-K266 PolarHBondContact O-N 3.15Å; K264-K266 VanDerWaalsContact O-N 3.08Å
267Q81.6Confident66.1Low133 Ų133103.6 Ų103.662%0.62159%0.586SS**  trans-91.9151.2179.3-64-176.9-2.800110.7K265 V278K265-Q267 PolarHBondContact O-N 2.72Å; Q267-V278 HydrophobicContact CB-CG1 3.79Å; Q267-V278 HydrophobicContact CG-CG1 4.26Å
268H82.8Confident68.5Low47 Ų47101.4 Ų101.422%0.21857%0.572CS.*EExtended strand (participates in β ladder)trans-122108.6-177.4-59.8-74.5000109.5Y279 K281 T282 L285H268-Y279 WeakPolarHBondContact CB-O 3.4Å; H268-Y279 PolarHBondContact N-O 3.11Å; H268-Y279 PolarHBondContact O-N 2.85Å; H268-K281 VanDerWaalsContact CD2-C 3.45Å; H268-T282 PolarHBondContact CD2-N 2.82Å; H268-T282 VanDerWaalsContact CD2-N 3.33Å; H268-T282 WeakPolarHBondContact CE1-CG2 3.35Å; H268-T282 WeakPolarHBondContact NE2-CG2 3.35Å; H268-L285 HydrophobicContact CB-CB 4.12Å; H268-L285 HydrophobicContact CB-CD2 3.81Å
269I83.8Confident70.8Confident75 Ų75100 Ų10039%0.38555%0.554SS.*EExtended strand (participates in β ladder)trans-95.3139.3-173.7-49.6-178.3000110H271 V278I269-H271 PolarHBondContact O-CE1 3.41Å; I269-H271 PolarHBondContact O-N 2.79Å; I269-H271 PolarHBondContact O-ND1 2.99Å; I269-V278 HydrophobicContact CG1-CG1 4.22Å; I269-V278 HydrophobicContact CG1-CG2 4.11Å; I269-V278 HydrophobicContact CG2-CG2 4.32Å
270C85.2Confident73Confident3 Ų395.7 Ų95.72%0.0255%0.545CS..  trans-78.3109.9167.1-169.20000109.3I272 G276 K277 L285 H288C270-I272 PolarHBondContact O-N 3.11Å; C270-G276 PolarHBondContact O-N 3.23Å; C270-K277 HydrophobicContact CB-CB 4.43Å; C270-K277 WeakPolarHBondContact CB-O 3.31Å; C270-K277 PolarHBondContact N-O 3.1Å; C270-L285 HydrophobicContact CB-CD1 3.84Å; C270-H288 PolarHBondContact SG-NE2 3.35Å
271H80.4Confident75.1Confident164 Ų16495.8 Ų95.876%0.75954%0.54SS*.  trans-85.58.2-177.3-65.573.9000113I269I269-H271 PolarHBondContact O-CE1 3.41Å; I269-H271 PolarHBondContact O-N 2.79Å; I269-H271 PolarHBondContact O-ND1 2.99Å
272I79.3Confident76.7Confident19 Ų1993.2 Ų93.210%0.09753%0.534CS..SBendtrans-69.3129.4177.2-69173.2000109.2Y225 I229 C270 G274 C275 L289 H292Y225-I272 HydrophobicContact CE2-CG2 3.77Å; I229-I272 HydrophobicContact CD1-CD1 4.14Å; I229-I272 HydrophobicContact CG1-CD1 3.94Å; C270-I272 PolarHBondContact O-N 3.11Å; I272-G274 PolarHBondContact O-N 3.15Å; I272-C275 HydrophobicContact CB-CB 4.2Å; I272-C275 HydrophobicContact CG2-CB 4.4Å; I272-C275 WeakPolarHBondContact O-CB 3.31Å; I272-C275 PolarHBondContact O-N 2.8Å; I272-L289 HydrophobicContact CD1-CD2 3.6Å; I272-L289 HydrophobicContact CG1-CD2 4.37Å; I272-H292 HydrophobicContact CD1-CB 3.61Å
273P75.4Confident78.5Confident122 Ų12290.2 Ų90.279%0.79252%0.516SS*.THydrogen-bonded Turntrans-49.4132.2176.6-29.335.9000112.1C275P273-C275 VanDerWaalsContact C-N 3.28Å; P273-C275 PolarHBondContact O-N 3.04Å
274G74.8Confident79.6Confident98 Ų9891.5 Ų91.5100%1.0150%0.503SS*.THydrogen-bonded Turntrans76.2-0.5-178.400000116.4I272I272-G274 PolarHBondContact O-N 3.15Å
275C82.6Confident81Confident23 Ų2384.2 Ų84.216%0.15547%0.472CS..THydrogen-bonded Turntrans-100-58.7179.3-167.40000114.5I272 P273 K277 H288 H292I272-C275 HydrophobicContact CB-CB 4.2Å; I272-C275 HydrophobicContact CG2-CB 4.4Å; I272-C275 WeakPolarHBondContact O-CB 3.31Å; I272-C275 PolarHBondContact O-N 2.8Å; P273-C275 VanDerWaalsContact C-N 3.28Å; P273-C275 PolarHBondContact O-N 3.04Å; C275-K277 PolarHBondContact O-N 3.43Å; C275-H288 PolarHBondContact SG-CE1 2.79Å; C275-H288 PolarHBondContact SG-NE2 2.05Å; C275-H292 PolarHBondContact SG-NE2 3.35Å
276G79.1Confident81.8Confident51 Ų5178.5 Ų78.553%0.52645%0.448SS..  trans61.1417500000117.6C270C270-G276 PolarHBondContact O-N 3.23Å
277K83.3Confident82.3Confident100 Ų10072.3 Ų72.344%0.43542%0.424SS..  trans-68.2136.3-171.6-70.2175.6-171.8167.40112.9C270 C275 Y279C270-K277 HydrophobicContact CB-CB 4.43Å; C270-K277 WeakPolarHBondContact CB-O 3.31Å; C270-K277 PolarHBondContact N-O 3.1Å; C275-K277 PolarHBondContact O-N 3.43Å; K277-Y279 HydrophobicContact CB-CE2 3.6Å; K277-Y279 WeakPolarHBondContact CD-OH 3.41Å
278V87Confident82.4Confident75 Ų7566.8 Ų66.846%0.45540%0.398SS..EExtended strand (participates in β ladder)trans-108.9135.1-176.4-171.90000111.4Q267 I269Q267-V278 HydrophobicContact CB-CG1 3.79Å; Q267-V278 HydrophobicContact CG-CG1 4.26Å; I269-V278 HydrophobicContact CG1-CG1 4.22Å; I269-V278 HydrophobicContact CG1-CG2 4.11Å; I269-V278 HydrophobicContact CG2-CG2 4.32Å
279Y85.4Confident82.4Confident51 Ų5165 Ų6520%0.239%0.39CS..EExtended strand (participates in β ladder)trans-129131.9-176.6-62.6-83.8000111.9H268 K277 K281 H284 L285 H288H268-Y279 WeakPolarHBondContact CB-O 3.4Å; H268-Y279 PolarHBondContact N-O 3.11Å; H268-Y279 PolarHBondContact O-N 2.85Å; K277-Y279 HydrophobicContact CB-CE2 3.6Å; K277-Y279 WeakPolarHBondContact CD-OH 3.41Å; Y279-K281 PolarHBondContact O-N 2.91Å; Y279-H284 HydrophobicContact CD1-CB 3.65Å; Y279-H284 HydrophobicContact CE1-CB 4.48Å; Y279-H284 HydrophobicContact CG-CB 4.15Å; Y279-L285 HydrophobicContact CD2-CB 4.05Å; Y279-L285 HydrophobicContact CD2-CD1 3.89Å; Y279-L285 HydrophobicContact CE2-CD1 4.2Å; Y279-L285 HydrophobicContact CG-CB 4.33Å; Y279-H288 HydrophobicContact CE1-CB 4.25Å; Y279-H288 HydrophobicContact CE2-CB 3.9Å; Y279-H288 AromaticContact CE2-CD2 3.35Å; Y279-H288 WeakPolarHBondContact CE2-CD2 3.47Å; Y279-H288 AromaticContact CE2-CG 3.74Å; Y279-H288 AromaticContact CZ-CD2 3.69Å; Y279-H288 AromaticContact CZ-CG 3.59Å; Y279-H288 WeakPolarHBondContact OH-CB 3.27Å; Y279-H288 PolarHBondContact OH-CD2 3.44Å; Y279-H288 PolarHBondContact OH-ND1 3.41Å
280G85.3Confident82.3Confident59 Ų5964.2 Ų64.261%0.60838%0.383SS*.SBendtrans-74.93.7174.900000115.6
281K83.9Confident82Confident128 Ų12870.8 Ų70.856%0.55741%0.407SS*.SBendtrans-146.4138178.7-65.6-173.1180-1780111.2H268 Y279 S283 H284 L285H268-K281 VanDerWaalsContact CD2-C 3.45Å; Y279-K281 PolarHBondContact O-N 2.91Å; K281-S283 VanDerWaalsContact C-N 3.28Å; K281-S283 PolarHBondContact O-N 3.21Å; K281-H284 PolarHBondContact O-N 3.02Å; K281-H284 VanDerWaalsContact O-N 3.15Å; K281-L285 PolarHBondContact O-N 3.16Å
282T82.3Confident81.9Confident85 Ų8564 Ų6452%0.52138%0.375SS..Hα-helixtrans-54.4-40.7173.949.30000113H268 H284 L285 K286H268-T282 PolarHBondContact CD2-N 2.82Å; H268-T282 VanDerWaalsContact CD2-N 3.33Å; H268-T282 WeakPolarHBondContact CE1-CG2 3.35Å; H268-T282 WeakPolarHBondContact NE2-CG2 3.35Å; T282-H284 VanDerWaalsContact C-N 3.29Å; T282-H284 PolarHBondContact O-N 2.79Å; T282-L285 PolarHBondContact O-N 3.41Å; T282-K286 PolarHBondContact O-N 2.93Å
283S81.9Confident81.8Confident68 Ų6864 Ų6448%0.47638%0.377SS..Hα-helixtrans-62.6-34.4179.856.50000112.9K281 A287K281-S283 VanDerWaalsContact C-N 3.28Å; K281-S283 PolarHBondContact O-N 3.21Å; S283-A287 WeakPolarHBondContact O-CB 3.48Å; S283-A287 PolarHBondContact O-N 3.42Å
284H84.4Confident81.7Confident97 Ų9760.5 Ų60.545%0.44936%0.363SS..Hα-helixtrans-74-39.7176.9-63.8-175.5000111.2Y279 K281 T282 A287 H288Y279-H284 HydrophobicContact CD1-CB 3.65Å; Y279-H284 HydrophobicContact CE1-CB 4.48Å; Y279-H284 HydrophobicContact CG-CB 4.15Å; K281-H284 PolarHBondContact O-N 3.02Å; K281-H284 VanDerWaalsContact O-N 3.15Å; T282-H284 VanDerWaalsContact C-N 3.29Å; T282-H284 PolarHBondContact O-N 2.79Å; H284-A287 PolarHBondContact O-N 3.49Å; H284-H288 WeakPolarHBondContact O-CB 3.26Å; H284-H288 PolarHBondContact O-N 2.89Å
285L85.2Confident81.7Confident28 Ų2858.1 Ų58.115%0.14733%0.326CS..Hα-helixtrans-61.6-47171.917761.2000111H268 C270 Y279 K281 T282 A287 H288 L289H268-L285 HydrophobicContact CB-CB 4.12Å; H268-L285 HydrophobicContact CB-CD2 3.81Å; C270-L285 HydrophobicContact CB-CD1 3.84Å; Y279-L285 HydrophobicContact CD2-CB 4.05Å; Y279-L285 HydrophobicContact CD2-CD1 3.89Å; Y279-L285 HydrophobicContact CE2-CD1 4.2Å; Y279-L285 HydrophobicContact CG-CB 4.33Å; K281-L285 PolarHBondContact O-N 3.16Å; T282-L285 PolarHBondContact O-N 3.41Å; L285-A287 PolarHBondContact O-N 3.38Å; L285-H288 CarbonylContact O-C 3.16Å; L285-H288 WeakPolarHBondContact O-CB 3.3Å; L285-H288 PolarHBondContact O-N 3.26Å; L285-H288 VanDerWaalsContact O-N 3.1Å; L285-L289 HydrophobicContact CD1-CD1 4.39Å; L285-L289 HydrophobicContact CD1-CG 4.16Å; L285-L289 HydrophobicContact CG-CD1 4.14Å; L285-L289 HydrophobicContact CG-CG 4.37Å; L285-L289 WeakPolarHBondContact O-CG 3.46Å; L285-L289 PolarHBondContact O-N 3.37Å
286K82.5Confident81.5Confident74 Ų7462.2 Ų62.232%0.32234%0.338SS..Hα-helixtrans-60.9-42.3176.3-72.7-159.6171.3-155.90112.5L233 T235 T282 H288 L289 R290L233-K286 HydrophobicContact CD2-CB 4.27Å; L233-K286 VanDerWaalsContact CD2-O 3.26Å; L233-K286 WeakPolarHBondContact CD2-O 3.27Å; L233-K286 PolarHBondContact O-NZ 2.86Å; T235-K286 PolarHBondContact O-NZ 3.01Å; T282-K286 PolarHBondContact O-N 2.93Å; K286-H288 VanDerWaalsContact C-N 3.27Å; K286-H288 PolarHBondContact O-N 3.1Å; K286-L289 PolarHBondContact O-N 2.97Å; K286-R290 PolarHBondContact O-N 2.84Å
287A82.8Confident81.5Confident19 Ų1963 Ų6316%0.15733%0.334CS..Hα-helixtrans-64.1-32.2174.500000112.8S283 H284 L285 R311S283-A287 WeakPolarHBondContact O-CB 3.48Å; S283-A287 PolarHBondContact O-N 3.42Å; H284-A287 PolarHBondContact O-N 3.49Å; L285-A287 PolarHBondContact O-N 3.38Å; A287-R311 HydrophobicContact CB-CG 4.07Å
288H83.8Confident81.4Confident17 Ų1761.1 Ų61.18%0.07933%0.326CS..Hα-helixtrans-73.5-39.7173.8166.349.3000112.9C270 C275 Y279 H284 L285 K286 R290 W291 H292C270-H288 PolarHBondContact SG-NE2 3.35Å; C275-H288 PolarHBondContact SG-CE1 2.79Å; C275-H288 PolarHBondContact SG-NE2 2.05Å; Y279-H288 HydrophobicContact CE1-CB 4.25Å; Y279-H288 HydrophobicContact CE2-CB 3.9Å; Y279-H288 AromaticContact CE2-CD2 3.35Å; Y279-H288 WeakPolarHBondContact CE2-CD2 3.47Å; Y279-H288 AromaticContact CE2-CG 3.74Å; Y279-H288 AromaticContact CZ-CD2 3.69Å; Y279-H288 AromaticContact CZ-CG 3.59Å; Y279-H288 WeakPolarHBondContact OH-CB 3.27Å; Y279-H288 PolarHBondContact OH-CD2 3.44Å; Y279-H288 PolarHBondContact OH-ND1 3.41Å; H284-H288 WeakPolarHBondContact O-CB 3.26Å; H284-H288 PolarHBondContact O-N 2.89Å; L285-H288 CarbonylContact O-C 3.16Å; L285-H288 WeakPolarHBondContact O-CB 3.3Å; L285-H288 PolarHBondContact O-N 3.26Å; L285-H288 VanDerWaalsContact O-N 3.1Å; K286-H288 VanDerWaalsContact C-N 3.27Å; K286-H288 PolarHBondContact O-N 3.1Å; H288-R290 PolarHBondContact O-N 2.92Å; H288-W291 WeakPolarHBondContact O-CB 3.32Å; H288-W291 PolarHBondContact O-N 3.4Å; H288-H292 AromaticContact CE1-CD2 3.44Å; H288-H292 PolarHBondContact CE1-CD2 2.98Å; H288-H292 VanDerWaalsContact CE1-CD2 3.44Å; H288-H292 AromaticContact CE1-NE2 3.13Å; H288-H292 PolarHBondContact CE1-NE2 3.24Å; H288-H292 AromaticContact NE2-CD2 3.69Å; H288-H292 AromaticContact NE2-NE2 3.33Å; H288-H292 PolarHBondContact NE2-NE2 2.97Å
289L82.1Confident81.3Confident8 Ų861 Ų614%0.04233%0.325CS..Hα-helixtrans-60.1-30.7176.8-72.6171.8000112.3I229 L232 L233 I272 L285 K286 W291 H292 S293I229-L289 HydrophobicContact CG2-CB 4.13Å; I229-L289 WeakPolarHBondContact CG2-O 3.47Å; L232-L289 HydrophobicContact CB-CD1 3.82Å; L232-L289 HydrophobicContact CD1-CD1 4.35Å; L232-L289 HydrophobicContact CD1-CD2 4.37Å; L233-L289 HydrophobicContact CD2-CB 3.77Å; L233-L289 HydrophobicContact CG-CB 4.25Å; I272-L289 HydrophobicContact CD1-CD2 3.6Å; I272-L289 HydrophobicContact CG1-CD2 4.37Å; L285-L289 HydrophobicContact CD1-CD1 4.39Å; L285-L289 HydrophobicContact CD1-CG 4.16Å; L285-L289 HydrophobicContact CG-CD1 4.14Å; L285-L289 HydrophobicContact CG-CG 4.37Å; L285-L289 WeakPolarHBondContact O-CG 3.46Å; L285-L289 PolarHBondContact O-N 3.37Å; K286-L289 PolarHBondContact O-N 2.97Å; L289-W291 PolarHBondContact O-N 3.5Å; L289-H292 WeakPolarHBondContact O-CB 3.15Å; L289-H292 PolarHBondContact O-N 3.15Å; L289-S293 PolarHBondContact O-N 2.95Å
290R82Confident81.3Confident60 Ų6058.8 Ų58.823%0.22632%0.317CS..Hα-helixtrans-60.2-25.4170-71.6178.6-178.2152.32.5114.4L233 K286 H288 G294 E295 T310L233-R290 HydrophobicContact CD1-CG 4.03Å; L233-R290 HydrophobicContact CD2-CG 3.95Å; K286-R290 PolarHBondContact O-N 2.84Å; H288-R290 PolarHBondContact O-N 2.92Å; R290-G294 WeakPolarHBondContact O-CA 3.13Å; R290-G294 PolarHBondContact O-N 3.3Å; R290-E295 WeakPolarHBondContact CB-O 3.45Å; R290-E295 HydrophobicContact CG-CB 4.2Å; R290-T310 HydrophobicContact CB-CG2 4.21Å; R290-T310 WeakPolarHBondContact CD-O 3.38Å; R290-T310 PolarHBondContact NH1-O 3.13Å
291W78Confident81.2Confident141 Ų14163.5 Ų63.553%0.53433%0.328SS..Hα-helixtrans-69.9-34.3171.9179.979.5000112H288 L289H288-W291 WeakPolarHBondContact O-CB 3.32Å; H288-W291 PolarHBondContact O-N 3.4Å; L289-W291 PolarHBondContact O-N 3.5Å
292H78.9Confident80.9Confident20 Ų2062.4 Ų62.49%0.09332%0.321CS..Hα-helixtrans-76.2-37176.9-74.3-87.5000112.8Y225 I229 I272 C275 H288 L289Y225-H292 WeakPolarHBondContact OH-CB 3.11Å; Y225-H292 PolarHBondContact OH-ND1 3.29Å; I229-H292 HydrophobicContact CD1-CB 3.65Å; I229-H292 HydrophobicContact CG1-CB 4.46Å; I272-H292 HydrophobicContact CD1-CB 3.61Å; C275-H292 PolarHBondContact SG-NE2 3.35Å; H288-H292 AromaticContact CE1-CD2 3.44Å; H288-H292 PolarHBondContact CE1-CD2 2.98Å; H288-H292 VanDerWaalsContact CE1-CD2 3.44Å; H288-H292 AromaticContact CE1-NE2 3.13Å; H288-H292 PolarHBondContact CE1-NE2 3.24Å; H288-H292 AromaticContact NE2-CD2 3.69Å; H288-H292 AromaticContact NE2-NE2 3.33Å; H288-H292 PolarHBondContact NE2-NE2 2.97Å; L289-H292 WeakPolarHBondContact O-CB 3.15Å; L289-H292 PolarHBondContact O-N 3.15Å
293S76.2Confident80.7Confident19 Ų1966.7 Ų66.713%0.13334%0.339CS..Hα-helixtrans-82.2-29.1177.8168.30000113.4Q226 L289 E295Q226-S293 PolarHBondContact NE2-O 3.35Å; Q226-S293 PolarHBondContact OE1-O 3.42Å; Q226-S293 VanDerWaalsContact OE1-O 3.09Å; Q226-S293 PolarHBondContact OE1-OG 2.82Å; Q226-S293 VanDerWaalsContact OE1-OG 3.05Å; L289-S293 PolarHBondContact O-N 2.95Å; S293-E295 VanDerWaalsContact C-N 3.27Å
294G73.9Confident80.5Confident49 Ų4971.6 Ų71.651%0.50535%0.352SS..  trans83.4-0.5-171.100000113.8R290 R296R290-G294 WeakPolarHBondContact O-CA 3.13Å; R290-G294 PolarHBondContact O-N 3.3Å; G294-R296 WeakPolarHBondContact O-CG 3.47Å; G294-R296 PolarHBondContact O-N 2.76Å
295E75.3Confident80.5Confident49 Ų4968 Ų6823%0.22934%0.338CS..  trans-55.7121.2172.3-91.3-174.2-159.400112.7L233 H234 R290 S293 P297L233-E295 WeakPolarHBondContact CD1-OE2 3.27Å; H234-E295 IonicContact CE1-OE1 3.22Å; H234-E295 PolarHBondContact CE1-OE1 3.38Å; H234-E295 IonicContact CE1-OE2 3.99Å; R290-E295 WeakPolarHBondContact CB-O 3.45Å; R290-E295 HydrophobicContact CG-CB 4.2Å; S293-E295 VanDerWaalsContact C-N 3.27Å; E295-P297 WeakPolarHBondContact O-CD 3.49Å
296R78.2Confident80.1Confident109 Ų10969.4 Ų69.441%0.41136%0.359SS..  trans-12571.8179.4-66.417084.2100.47.6110.3G294 F298 S308 F309 T310G294-R296 WeakPolarHBondContact O-CG 3.47Å; G294-R296 PolarHBondContact O-N 2.76Å; R296-F298 PolarHBondContact O-N 3.04Å; R296-F298 VanDerWaalsContact O-N 3.1Å; R296-S308 VanDerWaalsContact CB-OG 3.25Å; R296-S308 WeakPolarHBondContact CB-OG 3.35Å; R296-S308 WeakPolarHBondContact CD-OG 3.35Å; R296-S308 PolarHBondContact NE-O 2.81Å; R296-S308 PolarHBondContact NE-OG 3.2Å; R296-S308 PolarHBondContact NH2-O 3.12Å; R296-S308 WeakPolarHBondContact O-CB 3.35Å; R296-F309 CarbonylContact C-O 3.4Å; R296-F309 VanDerWaalsContact CA-O 3.27Å; R296-F309 WeakPolarHBondContact CA-O 3.4Å; R296-T310 HydrophobicContact CG-CG2 4.09Å
297P79.1Confident80.1Confident67 Ų6771.6 Ų71.644%0.43537%0.369SS..  trans-70-7.8-169.427.8-35.8000115E295E295-P297 WeakPolarHBondContact O-CD 3.49Å
298F81.9Confident80Confident61 Ų6171.8 Ų71.827%0.26837%0.369SS..EExtended strand (participates in β ladder)trans-104.691.9-179.7-59.4-75000110.3R296 S308 F309 R311 L315R296-F298 PolarHBondContact O-N 3.04Å; R296-F298 VanDerWaalsContact O-N 3.1Å; F298-S308 CarbonylContact O-C 3.46Å; F298-S308 WeakPolarHBondContact O-CA 3.46Å; F298-F309 HydrophobicContact CB-CB 4.27Å; F298-F309 PolarHBondContact N-O 3.33Å; F298-F309 VanDerWaalsContact N-O 3.13Å; F298-F309 WeakPolarHBondContact O-CD2 3.44Å; F298-F309 PolarHBondContact O-N 3.25Å; F298-R311 VanDerWaalsContact CD2-CA 3.48Å; F298-L315 HydrophobicContact CB-CB 3.95Å; F298-L315 HydrophobicContact CB-CD2 3.85Å
299V83.3Confident80Confident73 Ų7371.9 Ų71.944%0.44237%0.369SS..EExtended strand (participates in β ladder)trans-86143.6-179.7-171.20000110.8N301 L315V299-N301 PolarHBondContact O-N 2.84Å; V299-N301 PolarHBondContact O-OD1 3Å; V299-L315 WeakPolarHBondContact O-CD2 3.21Å
300C86.3Confident79.9Confident4 Ų472.8 Ų72.83%0.02738%0.375CS..  trans-77.2109.8167.7-172.50000109.5W302 C305 K307 L315 H318 H322C300-W302 PolarHBondContact O-N 3.12Å; C300-W302 VanDerWaalsContact SG-CB 3.55Å; C300-C305 HydrophobicContact CB-CB 4.43Å; C300-K307 HydrophobicContact CB-CB 4.49Å; C300-K307 WeakPolarHBondContact CB-O 3.37Å; C300-K307 PolarHBondContact N-O 3.48Å; C300-L315 HydrophobicContact CB-CD1 3.96Å; C300-H318 PolarHBondContact SG-NE2 3.39Å; C300-H318 VanDerWaalsContact SG-NE2 3.41Å; C300-H322 PolarHBondContact SG-NE2 2.96Å
301N82.7Confident79.8Confident157 Ų15775.5 Ų75.584%0.8439%0.385SS*.  trans-67.93178.1-63.44.2000113.9V299 L303V299-N301 PolarHBondContact O-N 2.84Å; V299-N301 PolarHBondContact O-OD1 3Å; N301-L303 PolarHBondContact O-N 2.87Å
302W78.9Confident80.1Confident106 Ų10672 Ų7240%0.40238%0.383SS..  trans-74.9117.2175.5-165.6-68.4000109.5C300 F304 C305 H322C300-W302 PolarHBondContact O-N 3.12Å; C300-W302 VanDerWaalsContact SG-CB 3.55Å; W302-F304 AromaticContact CD1-CD1 3.99Å; W302-F304 AromaticContact CD1-CD2 3.71Å; W302-F304 AromaticContact CD1-CE1 3.99Å; W302-F304 AromaticContact CD1-CE2 3.69Å; W302-F304 AromaticContact CD1-CG 3.89Å; W302-F304 AromaticContact CD1-CZ 3.87Å; W302-F304 AromaticContact CE2-CZ 3.74Å; W302-F304 HydrophobicContact CZ2-CE1 4.4Å; W302-F304 HydrophobicContact CZ2-CZ 4.02Å; W302-F304 AromaticContact NE1-CD1 3.54Å; W302-F304 AromaticContact NE1-CD2 3.62Å; W302-F304 AromaticContact NE1-CE1 3.09Å; W302-F304 AromaticContact NE1-CE2 3.17Å; W302-F304 AromaticContact NE1-CG 3.81Å; W302-F304 AromaticContact NE1-CZ 2.92Å; W302-F304 PolarHBondContact O-N 3.05Å; W302-C305 HydrophobicContact CB-CB 3.94Å; W302-C305 HydrophobicContact CG-CB 4.44Å; W302-C305 VanDerWaalsContact O-CB 3.3Å; W302-C305 WeakPolarHBondContact O-CB 3.37Å; W302-C305 PolarHBondContact O-N 2.89Å; W302-H322 HydrophobicContact CD2-CB 4.04Å; W302-H322 AromaticContact CD2-CG 3.82Å; W302-H322 AromaticContact CD2-ND1 3.91Å; W302-H322 HydrophobicContact CE3-CB 3.57Å; W302-H322 AromaticContact CE3-CG 3.79Å; W302-H322 AromaticContact CG-ND1 3.96Å; W302-H322 HydrophobicContact CH2-CB 4.22Å; W302-H322 HydrophobicContact CZ3-CB 3.67Å
303L76.4Confident80.2Confident174 Ų17474.9 Ų74.991%0.91140%0.399SS*.THydrogen-bonded Turntrans-51.4-46.5-162.6-172.764000114.4N301 C305N301-L303 PolarHBondContact O-N 2.87Å; L303-C305 VanDerWaalsContact C-N 3.33Å; L303-C305 PolarHBondContact O-N 3.23Å
304F78.6Confident80.6Confident171 Ų17176.3 Ų76.375%0.7540%0.403SS*.THydrogen-bonded Turntrans-88.29.5179.355.8-110.2000114.8W302W302-F304 AromaticContact CD1-CD1 3.99Å; W302-F304 AromaticContact CD1-CD2 3.71Å; W302-F304 AromaticContact CD1-CE1 3.99Å; W302-F304 AromaticContact CD1-CE2 3.69Å; W302-F304 AromaticContact CD1-CG 3.89Å; W302-F304 AromaticContact CD1-CZ 3.87Å; W302-F304 AromaticContact CE2-CZ 3.74Å; W302-F304 HydrophobicContact CZ2-CE1 4.4Å; W302-F304 HydrophobicContact CZ2-CZ 4.02Å; W302-F304 AromaticContact NE1-CD1 3.54Å; W302-F304 AromaticContact NE1-CD2 3.62Å; W302-F304 AromaticContact NE1-CE1 3.09Å; W302-F304 AromaticContact NE1-CE2 3.17Å; W302-F304 AromaticContact NE1-CG 3.81Å; W302-F304 AromaticContact NE1-CZ 2.92Å; W302-F304 PolarHBondContact O-N 3.05Å
305C85Confident81.2Confident22 Ų2275 Ų7515%0.14938%0.384CS..THydrogen-bonded Turntrans-100.2-50.8-177.8-161.80000113.7C300 W302 L303 K307 H318 H322C300-C305 HydrophobicContact CB-CB 4.43Å; W302-C305 HydrophobicContact CB-CB 3.94Å; W302-C305 HydrophobicContact CG-CB 4.44Å; W302-C305 VanDerWaalsContact O-CB 3.3Å; W302-C305 WeakPolarHBondContact O-CB 3.37Å; W302-C305 PolarHBondContact O-N 2.89Å; L303-C305 VanDerWaalsContact C-N 3.33Å; L303-C305 PolarHBondContact O-N 3.23Å; C305-K307 PolarHBondContact O-N 3.36Å; C305-H318 VanDerWaalsContact SG-CE1 3.58Å; C305-H318 PolarHBondContact SG-NE2 2.87Å; C305-H322 WeakPolarHBondContact CB-CE1 3.5Å; C305-H322 WeakPolarHBondContact CB-NE2 3.37Å; C305-H322 PolarHBondContact SG-CE1 3.33Å; C305-H322 PolarHBondContact SG-NE2 3.01Å
306G76.3Confident81.6Confident57 Ų5777.9 Ų77.959%0.58840%0.398SS*.  trans59.9-0.7-179.600000116.6S308G306-S308 PolarHBondContact O-N 3.39Å
307K81.6Confident81.9Confident120 Ų12076.9 Ų76.952%0.52239%0.394SS..  trans-70123.1-172.8-70.8176.7-168.9171.70111.2C300 C305 F309C300-K307 HydrophobicContact CB-CB 4.49Å; C300-K307 WeakPolarHBondContact CB-O 3.37Å; C300-K307 PolarHBondContact N-O 3.48Å; C305-K307 PolarHBondContact O-N 3.36Å; K307-F309 HydrophobicContact CB-CE2 3.83Å; K307-F309 HydrophobicContact CB-CZ 3.83Å; K307-F309 VanDerWaalsContact O-CE2 3.31Å; K307-F309 WeakPolarHBondContact O-CE2 3.48Å
308S82.1Confident82.2Confident24 Ų2474.3 Ų74.317%0.16838%0.376CS..EExtended strand (participates in β ladder)trans-100.7156.5175.463.10000111.8R296 F298 G306R296-S308 VanDerWaalsContact CB-OG 3.25Å; R296-S308 WeakPolarHBondContact CB-OG 3.35Å; R296-S308 WeakPolarHBondContact CD-OG 3.35Å; R296-S308 PolarHBondContact NE-O 2.81Å; R296-S308 PolarHBondContact NE-OG 3.2Å; R296-S308 PolarHBondContact NH2-O 3.12Å; R296-S308 WeakPolarHBondContact O-CB 3.35Å; F298-S308 CarbonylContact O-C 3.46Å; F298-S308 WeakPolarHBondContact O-CA 3.46Å; G306-S308 PolarHBondContact O-N 3.39Å
309F83.6Confident82.3Confident19 Ų1974 Ų748%0.08338%0.377CS..EExtended strand (participates in β ladder)trans-139.2155.3-176.6-59.2-82.9000112.4R296 F298 K307 E314 L315 H318R296-F309 CarbonylContact C-O 3.4Å; R296-F309 VanDerWaalsContact CA-O 3.27Å; R296-F309 WeakPolarHBondContact CA-O 3.4Å; F298-F309 HydrophobicContact CB-CB 4.27Å; F298-F309 PolarHBondContact N-O 3.33Å; F298-F309 VanDerWaalsContact N-O 3.13Å; F298-F309 WeakPolarHBondContact O-CD2 3.44Å; F298-F309 PolarHBondContact O-N 3.25Å; K307-F309 HydrophobicContact CB-CE2 3.83Å; K307-F309 HydrophobicContact CB-CZ 3.83Å; K307-F309 VanDerWaalsContact O-CE2 3.31Å; K307-F309 WeakPolarHBondContact O-CE2 3.48Å; F309-E314 HydrophobicContact CB-CB 4.11Å; F309-E314 HydrophobicContact CB-CG 4.37Å; F309-E314 HydrophobicContact CD1-CB 4.21Å; F309-E314 VanDerWaalsContact CD1-CD 3.46Å; F309-E314 HydrophobicContact CD1-CG 3.63Å; F309-E314 HydrophobicContact CE1-CG 4.35Å; F309-E314 HydrophobicContact CG-CB 4.35Å; F309-E314 HydrophobicContact CG-CG 4.27Å; F309-L315 HydrophobicContact CB-CB 4.4Å; F309-L315 HydrophobicContact CD2-CB 3.91Å; F309-L315 HydrophobicContact CD2-CD1 3.9Å; F309-L315 HydrophobicContact CE2-CD1 4.09Å; F309-L315 HydrophobicContact CG-CB 4.38Å; F309-H318 HydrophobicContact CE1-CB 4.15Å; F309-H318 HydrophobicContact CE2-CB 3.83Å; F309-H318 AromaticContact CE2-CD2 3.22Å; F309-H318 WeakPolarHBondContact CE2-CD2 3.45Å; F309-H318 AromaticContact CE2-CG 3.65Å; F309-H318 HydrophobicContact CZ-CB 3.51Å; F309-H318 AromaticContact CZ-CD2 3.37Å; F309-H318 WeakPolarHBondContact CZ-CD2 3.41Å; F309-H318 AromaticContact CZ-CG 3.35Å
310T79.8Confident82.3Confident27 Ų2774.1 Ų74.117%0.16637%0.37CS..SBendtrans-81.7-19.2-17962.60000112.9R290 R296 E314R290-T310 HydrophobicContact CB-CG2 4.21Å; R290-T310 WeakPolarHBondContact CD-O 3.38Å; R290-T310 PolarHBondContact NH1-O 3.13Å; R296-T310 HydrophobicContact CG-CG2 4.09Å; T310-E314 PolarHBondContact OG1-OE2 3.31Å
311R80.5Confident82Confident117 Ų11777.5 Ų77.544%0.44239%0.39SS..SBendtrans-136.5148.8-175.7-65.7165.351.7156.8-5.7112.2A287 F298 D313 E314 L315A287-R311 HydrophobicContact CB-CG 4.07Å; F298-R311 VanDerWaalsContact CD2-CA 3.48Å; R311-D313 VanDerWaalsContact CB-OD1 3.27Å; R311-D313 WeakPolarHBondContact CB-OD1 3.49Å; R311-D313 IonicContact CZ-OD1 3.73Å; R311-D313 IonicContact CZ-OD2 3.86Å; R311-D313 IonicContact NE-OD1 3.39Å; R311-D313 PolarHBondContact NE-OD1 3.44Å; R311-D313 IonicContact NE-OD2 3.52Å; R311-D313 VanDerWaalsContact NH2-CG 3.26Å; R311-D313 IonicContact NH2-OD1 3.08Å; R311-D313 PolarHBondContact NH2-OD1 3.29Å; R311-D313 VanDerWaalsContact NH2-OD1 3.11Å; R311-D313 IonicContact NH2-OD2 3.31Å; R311-D313 PolarHBondContact NH2-OD2 3.44Å; R311-E314 HydrophobicContact CB-CB 4.15Å; R311-E314 WeakPolarHBondContact O-CB 3.4Å; R311-E314 PolarHBondContact O-N 2.89Å; R311-L315 PolarHBondContact O-N 3.15Å
312S82.6Confident81.9Confident68 Ų6872.5 Ų72.548%0.47636%0.362SS..Hα-helixtrans-67.8-38.7179.650.50000113.1E314 L315 Q316S312-E314 PolarHBondContact O-N 3.25Å; S312-L315 PolarHBondContact O-N 3.33Å; S312-Q316 WeakPolarHBondContact O-CB 3.4Å; S312-Q316 WeakPolarHBondContact O-CG 3.45Å; S312-Q316 PolarHBondContact O-N 3.25Å
313D82.3Confident81.9Confident80 Ų8071.1 Ų71.143%0.42837%0.365SS..Hα-helixtrans-66.6-26.6176.367.6-66000112.4R311 R317R311-D313 VanDerWaalsContact CB-OD1 3.27Å; R311-D313 WeakPolarHBondContact CB-OD1 3.49Å; R311-D313 IonicContact CZ-OD1 3.73Å; R311-D313 IonicContact CZ-OD2 3.86Å; R311-D313 IonicContact NE-OD1 3.39Å; R311-D313 PolarHBondContact NE-OD1 3.44Å; R311-D313 IonicContact NE-OD2 3.52Å; R311-D313 VanDerWaalsContact NH2-CG 3.26Å; R311-D313 IonicContact NH2-OD1 3.08Å; R311-D313 PolarHBondContact NH2-OD1 3.29Å; R311-D313 VanDerWaalsContact NH2-OD1 3.11Å; R311-D313 IonicContact NH2-OD2 3.31Å; R311-D313 PolarHBondContact NH2-OD2 3.44Å; D313-R317 VanDerWaalsContact O-CB 3.26Å; D313-R317 WeakPolarHBondContact O-CB 3.26Å; D313-R317 PolarHBondContact O-N 3.45Å
314E84.9Confident81.9Confident48 Ų4864.2 Ų64.222%0.22434%0.336CS..Hα-helixtrans-70.9-46.1174.3-157.2-174.1-175.600111.4F309 T310 R311 S312 R317 H318F309-E314 HydrophobicContact CB-CB 4.11Å; F309-E314 HydrophobicContact CB-CG 4.37Å; F309-E314 HydrophobicContact CD1-CB 4.21Å; F309-E314 VanDerWaalsContact CD1-CD 3.46Å; F309-E314 HydrophobicContact CD1-CG 3.63Å; F309-E314 HydrophobicContact CE1-CG 4.35Å; F309-E314 HydrophobicContact CG-CB 4.35Å; F309-E314 HydrophobicContact CG-CG 4.27Å; T310-E314 PolarHBondContact OG1-OE2 3.31Å; R311-E314 HydrophobicContact CB-CB 4.15Å; R311-E314 WeakPolarHBondContact O-CB 3.4Å; R311-E314 PolarHBondContact O-N 2.89Å; S312-E314 PolarHBondContact O-N 3.25Å; E314-R317 VanDerWaalsContact CG-NH2 3.34Å; E314-R317 PolarHBondContact O-N 2.68Å; E314-R317 IonicContact OE1-NH2 2.72Å; E314-H318 WeakPolarHBondContact O-CB 3.35Å; E314-H318 PolarHBondContact O-N 3.06Å
315L86.1Confident81.8Confident22 Ų2259.2 Ų59.212%0.11532%0.315CS..Hα-helixtrans-60.3-48171.7171.861.3000111.3F298 V299 C300 F309 R311 S312 R317 H318 L319F298-L315 HydrophobicContact CB-CB 3.95Å; F298-L315 HydrophobicContact CB-CD2 3.85Å; V299-L315 WeakPolarHBondContact O-CD2 3.21Å; C300-L315 HydrophobicContact CB-CD1 3.96Å; F309-L315 HydrophobicContact CB-CB 4.4Å; F309-L315 HydrophobicContact CD2-CB 3.91Å; F309-L315 HydrophobicContact CD2-CD1 3.9Å; F309-L315 HydrophobicContact CE2-CD1 4.09Å; F309-L315 HydrophobicContact CG-CB 4.38Å; R311-L315 PolarHBondContact O-N 3.15Å; S312-L315 PolarHBondContact O-N 3.33Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.18Å; L315-H318 CarbonylContact O-C 3.5Å; L315-H318 WeakPolarHBondContact O-CA 3.48Å; L315-H318 WeakPolarHBondContact O-CB 3.48Å; L315-H318 PolarHBondContact O-N 2.89Å; L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CD1-CD2 4.3Å; L315-L319 HydrophobicContact CD1-CG 4.09Å; L315-L319 HydrophobicContact CG-CD1 4.3Å; L315-L319 HydrophobicContact CG-CG 4.41Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 2.73Å
316Q84.4Confident81.5Confident109 Ų10963.5 Ų63.551%0.50933%0.331SS..Hα-helixtrans-61.8-36.6179.5-72.9-65-31.200112.7S312S312-Q316 WeakPolarHBondContact O-CB 3.4Å; S312-Q316 WeakPolarHBondContact O-CG 3.45Å; S312-Q316 PolarHBondContact O-N 3.25Å
317R83.1Confident81.6Confident88 Ų8868.1 Ų68.133%0.33233%0.331SS..Hα-helixtrans-66.7-36.7170.6177.7179.56291.51.6112D313 E314 L315 R339D313-R317 VanDerWaalsContact O-CB 3.26Å; D313-R317 WeakPolarHBondContact O-CB 3.26Å; D313-R317 PolarHBondContact O-N 3.45Å; E314-R317 VanDerWaalsContact CG-NH2 3.34Å; E314-R317 PolarHBondContact O-N 2.68Å; E314-R317 IonicContact OE1-NH2 2.72Å; L315-R317 VanDerWaalsContact C-N 3.3Å; L315-R317 PolarHBondContact O-N 3.18Å; R317-R339 HydrophobicContact CG-CG 4.29Å
318H86.2Confident81.7Confident14 Ų1465.5 Ų65.57%0.06532%0.319CS..Hα-helixtrans-71.1-37.3176.3168.750000112.9C300 C305 F309 E314 L315 R320 T321 H322C300-H318 PolarHBondContact SG-NE2 3.39Å; C300-H318 VanDerWaalsContact SG-NE2 3.41Å; C305-H318 VanDerWaalsContact SG-CE1 3.58Å; C305-H318 PolarHBondContact SG-NE2 2.87Å; F309-H318 HydrophobicContact CE1-CB 4.15Å; F309-H318 HydrophobicContact CE2-CB 3.83Å; F309-H318 AromaticContact CE2-CD2 3.22Å; F309-H318 WeakPolarHBondContact CE2-CD2 3.45Å; F309-H318 AromaticContact CE2-CG 3.65Å; F309-H318 HydrophobicContact CZ-CB 3.51Å; F309-H318 AromaticContact CZ-CD2 3.37Å; F309-H318 WeakPolarHBondContact CZ-CD2 3.41Å; F309-H318 AromaticContact CZ-CG 3.35Å; E314-H318 WeakPolarHBondContact O-CB 3.35Å; E314-H318 PolarHBondContact O-N 3.06Å; L315-H318 CarbonylContact O-C 3.5Å; L315-H318 WeakPolarHBondContact O-CA 3.48Å; L315-H318 WeakPolarHBondContact O-CB 3.48Å; L315-H318 PolarHBondContact O-N 2.89Å; H318-R320 PolarHBondContact O-N 2.8Å; H318-R320 VanDerWaalsContact O-N 3.12Å; H318-T321 PolarHBondContact CE1-OG1 2.72Å; H318-T321 PolarHBondContact ND1-OG1 2.91Å; H318-T321 WeakPolarHBondContact O-CA 3.24Å; H318-T321 WeakPolarHBondContact O-CB 3.33Å; H318-T321 PolarHBondContact O-N 3.27Å; H318-T321 PolarHBondContact O-OG1 3.41Å; H318-H322 AromaticContact CD2-NE2 3.52Å; H318-H322 AromaticContact CE1-CD2 3.95Å; H318-H322 AromaticContact CE1-NE2 2.91Å; H318-H322 PolarHBondContact CE1-NE2 3.32Å; H318-H322 AromaticContact NE2-CD2 3.89Å; H318-H322 AromaticContact NE2-NE2 2.46Å; H318-H322 PolarHBondContact NE2-NE2 3.13Å
319L83.6Confident81.9Confident54 Ų5467.2 Ų67.228%0.28333%0.329SS..Hα-helixtrans-57.7-31177.4-69.6172.5000112.3L315 T321 H322 T323L315-L319 HydrophobicContact CD1-CD1 4.42Å; L315-L319 HydrophobicContact CD1-CD2 4.3Å; L315-L319 HydrophobicContact CD1-CG 4.09Å; L315-L319 HydrophobicContact CG-CD1 4.3Å; L315-L319 HydrophobicContact CG-CG 4.41Å; L315-L319 WeakPolarHBondContact O-CG 3.43Å; L315-L319 PolarHBondContact O-N 2.73Å; L319-T321 PolarHBondContact O-N 2.46Å; L319-H322 WeakPolarHBondContact O-CB 3.27Å; L319-H322 PolarHBondContact O-N 2.83Å; L319-T323 PolarHBondContact O-N 2.78Å
320R82.9Confident82Confident76 Ų7666.3 Ų66.329%0.28733%0.325SS..Hα-helixtrans-64.3-16.5172.1-58175.5-166.2176.80.9114.5H318 H322 T323 G324 M338H318-R320 PolarHBondContact O-N 2.8Å; H318-R320 VanDerWaalsContact O-N 3.12Å; R320-H322 VanDerWaalsContact C-N 3.34Å; R320-T323 WeakPolarHBondContact CA-OG1 3.4Å; R320-G324 PolarHBondContact O-N 2.8Å; R320-G324 VanDerWaalsContact O-N 3.11Å; R320-M338 HydrophobicContact CB-CG 3.71Å; R320-M338 HydrophobicContact CB-SD 3.9Å; R320-M338 VanDerWaalsContact O-CE 3.3Å; R320-M338 WeakPolarHBondContact O-CE 3.44Å
321T81.3Confident82.1Confident75 Ų7569.4 Ų69.446%0.4635%0.346SS..Hα-helixtrans-77.2-22.6171.570.40000112.6H318 L319 M338H318-T321 PolarHBondContact CE1-OG1 2.72Å; H318-T321 PolarHBondContact ND1-OG1 2.91Å; H318-T321 WeakPolarHBondContact O-CA 3.24Å; H318-T321 WeakPolarHBondContact O-CB 3.33Å; H318-T321 PolarHBondContact O-N 3.27Å; H318-T321 PolarHBondContact O-OG1 3.41Å; L319-T321 PolarHBondContact O-N 2.46Å; T321-M338 HydrophobicContact CG2-CE 4Å; T321-M338 HydrophobicContact CG2-SD 3.55Å; T321-M338 VanDerWaalsContact CG2-SD 3.55Å
322H80.1Confident82.2Confident51 Ų5166 Ų6624%0.23634%0.336CS..Hα-helixtrans-83.9-42.2173.5-64.4-62000111.5C300 W302 C305 H318 L319 R320 G324C300-H322 PolarHBondContact SG-NE2 2.96Å; W302-H322 HydrophobicContact CD2-CB 4.04Å; W302-H322 AromaticContact CD2-CG 3.82Å; W302-H322 AromaticContact CD2-ND1 3.91Å; W302-H322 HydrophobicContact CE3-CB 3.57Å; W302-H322 AromaticContact CE3-CG 3.79Å; W302-H322 AromaticContact CG-ND1 3.96Å; W302-H322 HydrophobicContact CH2-CB 4.22Å; W302-H322 HydrophobicContact CZ3-CB 3.67Å; C305-H322 WeakPolarHBondContact CB-CE1 3.5Å; C305-H322 WeakPolarHBondContact CB-NE2 3.37Å; C305-H322 PolarHBondContact SG-CE1 3.33Å; C305-H322 PolarHBondContact SG-NE2 3.01Å; H318-H322 AromaticContact CD2-NE2 3.52Å; H318-H322 AromaticContact CE1-CD2 3.95Å; H318-H322 AromaticContact CE1-NE2 2.91Å; H318-H322 PolarHBondContact CE1-NE2 3.32Å; H318-H322 AromaticContact NE2-CD2 3.89Å; H318-H322 AromaticContact NE2-NE2 2.46Å; H318-H322 PolarHBondContact NE2-NE2 3.13Å; L319-H322 WeakPolarHBondContact O-CB 3.27Å; L319-H322 PolarHBondContact O-N 2.83Å; R320-H322 VanDerWaalsContact C-N 3.34Å; H322-G324 VanDerWaalsContact C-N 3.29Å; H322-G324 PolarHBondContact O-N 3.39Å
323T78.3Confident82.3Confident78 Ų7864.4 Ų64.448%0.47932%0.324SS..SBendtrans-79.3-7.717861.70000114.2L319 R320 E325L319-T323 PolarHBondContact O-N 2.78Å; R320-T323 WeakPolarHBondContact CA-OG1 3.4Å; T323-E325 PolarHBondContact O-N 3.41Å; T323-E325 WeakPolarHBondContact OG1-CG 3.31Å
324G76.2Confident82.4Confident29 Ų2962 Ų6230%0.29931%0.314SS..  trans70.4-5.2179.500000115.9R320 H322 K326R320-G324 PolarHBondContact O-N 2.8Å; R320-G324 VanDerWaalsContact O-N 3.11Å; H322-G324 VanDerWaalsContact C-N 3.29Å; H322-G324 PolarHBondContact O-N 3.39Å; G324-K326 PolarHBondContact O-N 2.61Å; G324-K326 VanDerWaalsContact O-N 3.14Å
325E76.4Confident82.3Confident65 Ų6565.6 Ų65.630%0.30433%0.328SS..  trans-54.5111.7-169.3-74.6-177.8164.300114.7T323 R327T323-E325 PolarHBondContact O-N 3.41Å; T323-E325 WeakPolarHBondContact OG1-CG 3.31Å; E325-R327 HydrophobicContact CB-CG 4.35Å; E325-R327 IonicContact OE1-CZ 3.74Å; E325-R327 IonicContact OE1-NE 3.69Å; E325-R327 IonicContact OE1-NH2 3.58Å; E325-R327 PolarHBondContact OE1-NH2 2.95Å; E325-R327 IonicContact OE2-CZ 2.73Å; E325-R327 IonicContact OE2-NE 3.16Å; E325-R327 PolarHBondContact OE2-NE 3Å; E325-R327 IonicContact OE2-NH2 2.78Å; E325-R327 PolarHBondContact OE2-NH2 3.04Å
326K78.1Confident82.2Confident113 Ų11368.8 Ų68.849%0.49134%0.339SS..  trans-103.684.9172.5-63.2162.1-167.21650110.3G324 R336 F337G324-K326 PolarHBondContact O-N 2.61Å; G324-K326 VanDerWaalsContact O-N 3.14Å; K326-R336 HydrophobicContact CB-CB 3.52Å; K326-R336 HydrophobicContact CD-CB 4.22Å; K326-R336 HydrophobicContact CG-CB 4.42Å; K326-R336 PolarHBondContact O-NE 3.29Å; K326-R336 PolarHBondContact O-NH2 3Å; K326-F337 CarbonylContact C-O 3.54Å; K326-F337 WeakPolarHBondContact CA-O 3.49Å
327R79.8Confident82.1Confident154 Ų15465.6 Ų65.658%0.58132%0.323SS*.  trans-78.3-18.7-175.7-59.6-173.1-177.7-137.6-0.7114.9E325 F337E325-R327 HydrophobicContact CB-CG 4.35Å; E325-R327 IonicContact OE1-CZ 3.74Å; E325-R327 IonicContact OE1-NE 3.69Å; E325-R327 IonicContact OE1-NH2 3.58Å; E325-R327 PolarHBondContact OE1-NH2 2.95Å; E325-R327 IonicContact OE2-CZ 2.73Å; E325-R327 IonicContact OE2-NE 3.16Å; E325-R327 PolarHBondContact OE2-NE 3Å; E325-R327 IonicContact OE2-NH2 2.78Å; E325-R327 PolarHBondContact OE2-NH2 3.04Å; R327-F337 PolarHBondContact N-O 2.87Å
328F82.9Confident82.1Confident64 Ų6463.5 Ų63.528%0.28132%0.318SS..EExtended strand (participates in β ladder)trans-104.6119.5-174.7-59.7-80.5000110.8R336 F337 L343F328-R336 CarbonylContact O-C 3.23Å; F328-R336 WeakPolarHBondContact O-CA 3.2Å; F328-F337 HydrophobicContact CB-CB 4.25Å; F328-F337 WeakPolarHBondContact CB-O 3.22Å; F328-F337 PolarHBondContact N-O 2.99Å; F328-F337 PolarHBondContact O-N 3.07Å; F328-L343 HydrophobicContact CB-CB 4.24Å; F328-L343 HydrophobicContact CB-CD2 3.92Å
329V85.7Confident82Confident60 Ų6066 Ų6636%0.36433%0.327SS..EExtended strand (participates in β ladder)trans-105.4138.3-177-172.50000110.1R336 L343V329-R336 HydrophobicContact CG2-CG 4.34Å; V329-L343 WeakPolarHBondContact O-CD2 2.98Å
330C86.3Confident82.1Confident0 Ų066.8 Ų66.80%034%0.337CS..  trans-76.4124.5170.8-165.30000110.8D332 C334 K335 F337 L343 H346 H350C330-D332 VanDerWaalsContact C-N 3.29Å; C330-D332 PolarHBondContact O-N 3.35Å; C330-C334 VanDerWaalsContact O-CA 3.25Å; C330-C334 WeakPolarHBondContact O-CA 3.15Å; C330-C334 PolarHBondContact O-N 3.24Å; C330-K335 HydrophobicContact CB-CB 4.36Å; C330-K335 PolarHBondContact N-O 3.07Å; C330-F337 HydrophobicContact CB-CE2 4.32Å; C330-L343 HydrophobicContact CB-CD1 3.84Å; C330-H346 PolarHBondContact SG-CD2 3.44Å; C330-H350 VanDerWaalsContact SG-CD2 3.52Å; C330-H350 PolarHBondContact SG-NE2 2.88Å
331P81.8Confident82.4Confident93 Ų9365.9 Ų65.960%0.60434%0.338SS*.THydrogen-bonded Turntrans-64.4-34.4-178.825.7-33.7000112.4C357P331-C357 WeakPolarHBondContact O-CB 3.36Å
332D83.3Confident82.7Confident44 Ų4466.1 Ų66.124%0.23533%0.334CS..THydrogen-bonded Turntrans-73.8-54.7-178.8-44.6-79.1000112C330 H350 N355 K356 C357C330-D332 VanDerWaalsContact C-N 3.29Å; C330-D332 PolarHBondContact O-N 3.35Å; D332-H350 IonicContact OD2-CD2 3.24Å; D332-H350 PolarHBondContact OD2-CD2 3.28Å; D332-H350 VanDerWaalsContact OD2-CD2 3.24Å; D332-H350 IonicContact OD2-CG 3.93Å; D332-N355 CarbonylContact C-O 3.42Å; D332-N355 CarbonylContact O-C 3.5Å; D332-K356 CarbonylContact O-C 3.41Å; D332-K356 VanDerWaalsContact O-C 3.23Å; D332-C357 PolarHBondContact O-N 2.9Å
333C84.6Confident83.2Confident35 Ų3565.1 Ų65.124%0.23633%0.33CS..THydrogen-bonded Turntrans-115.814.8-168.472.10000115.6K335 H346 H350C333-K335 PolarHBondContact O-N 3.4Å; C333-K335 VanDerWaalsContact SG-CG 3.56Å; C333-H346 PolarHBondContact SG-NE2 3.27Å; C333-H350 VanDerWaalsContact SG-CE1 3.56Å; C333-H350 PolarHBondContact SG-NE2 2.93Å
334C84.4Confident83.7Confident30 Ų3064 Ų6420%0.20333%0.328CS..  trans55.80.7-175.1-40.20000116.6C330 R336 C357C330-C334 VanDerWaalsContact O-CA 3.25Å; C330-C334 WeakPolarHBondContact O-CA 3.15Å; C330-C334 PolarHBondContact O-N 3.24Å; C334-R336 PolarHBondContact O-N 3.05Å; C334-C357 VanDerWaalsContact CA-SG 3.6Å; C334-C357 HydrophobicContact CB-CB 4.24Å; C334-C357 WeakPolarHBondContact CB-SG 3.41Å; C334-C357 WeakPolarHBondContact SG-CA 3.46Å; C334-C357 WeakPolarHBondContact SG-CB 3.32Å; C334-C357 CovalentContact SG-SG 2.03Å; C334-C357 PolarHBondContact SG-SG 3.02Å
335K82.3Confident84.2Confident123 Ų12369.5 Ų69.554%0.53534%0.344SS..  trans-59.4130-175.8-78.5-178.9177.8-179.50110.9C330 C333 F337C330-K335 HydrophobicContact CB-CB 4.36Å; C330-K335 PolarHBondContact N-O 3.07Å; C333-K335 PolarHBondContact O-N 3.4Å; C333-K335 VanDerWaalsContact SG-CG 3.56Å; K335-F337 HydrophobicContact CB-CE2 3.72Å; K335-F337 HydrophobicContact CB-CZ 4Å; K335-F337 VanDerWaalsContact O-CD2 3.31Å; K335-F337 WeakPolarHBondContact O-CD2 3.3Å; K335-F337 VanDerWaalsContact O-CE2 3.24Å; K335-F337 WeakPolarHBondContact O-CE2 3.44Å
336R84.1Confident84.8Confident90 Ų9067.7 Ų67.734%0.3434%0.336SS..EExtended strand (participates in β ladder)trans-96.4133.6-176.1-52-177.264.8154.1-1.4111.3K326 F328 V329 C334K326-R336 HydrophobicContact CB-CB 3.52Å; K326-R336 HydrophobicContact CD-CB 4.22Å; K326-R336 HydrophobicContact CG-CB 4.42Å; K326-R336 PolarHBondContact O-NE 3.29Å; K326-R336 PolarHBondContact O-NH2 3Å; F328-R336 CarbonylContact O-C 3.23Å; F328-R336 WeakPolarHBondContact O-CA 3.2Å; V329-R336 HydrophobicContact CG2-CG 4.34Å; C334-R336 PolarHBondContact O-N 3.05Å
337F83.1Confident85.2Confident41 Ų4165 Ų6518%0.1833%0.329CS..EExtended strand (participates in β ladder)trans-123.1147.3-179.3-60.6-90000110.6K326 R327 F328 C330 K335 R339 H342 L343 H346K326-F337 CarbonylContact C-O 3.54Å; K326-F337 WeakPolarHBondContact CA-O 3.49Å; R327-F337 PolarHBondContact N-O 2.87Å; F328-F337 HydrophobicContact CB-CB 4.25Å; F328-F337 WeakPolarHBondContact CB-O 3.22Å; F328-F337 PolarHBondContact N-O 2.99Å; F328-F337 PolarHBondContact O-N 3.07Å; C330-F337 HydrophobicContact CB-CE2 4.32Å; K335-F337 HydrophobicContact CB-CE2 3.72Å; K335-F337 HydrophobicContact CB-CZ 4Å; K335-F337 VanDerWaalsContact O-CD2 3.31Å; K335-F337 WeakPolarHBondContact O-CD2 3.3Å; K335-F337 VanDerWaalsContact O-CE2 3.24Å; K335-F337 WeakPolarHBondContact O-CE2 3.44Å; F337-R339 VanDerWaalsContact C-N 3.3Å; F337-H342 HydrophobicContact CB-CB 4.45Å; F337-H342 HydrophobicContact CD1-CB 3.94Å; F337-H342 HydrophobicContact CG-CB 4.49Å; F337-L343 HydrophobicContact CB-CB 4.34Å; F337-L343 HydrophobicContact CD2-CB 4.06Å; F337-L343 HydrophobicContact CD2-CD1 3.94Å; F337-L343 HydrophobicContact CE2-CD1 4.14Å; F337-L343 HydrophobicContact CG-CB 4.27Å; F337-H346 HydrophobicContact CE1-CB 3.98Å; F337-H346 HydrophobicContact CE2-CB 4.06Å; F337-H346 AromaticContact CE2-CD2 3.27Å; F337-H346 WeakPolarHBondContact CE2-CD2 3.48Å; F337-H346 AromaticContact CE2-CG 3.78Å; F337-H346 HydrophobicContact CZ-CB 3.54Å; F337-H346 AromaticContact CZ-CD2 3.23Å; F337-H346 WeakPolarHBondContact CZ-CD2 3.3Å; F337-H346 AromaticContact CZ-CG 3.28Å; F337-H346 AromaticContact CZ-NE2 3.91Å
338M82.7Confident85.6Confident44 Ų4464.6 Ų64.622%0.21733%0.331CS..SBendtrans-79-15.5174.8-170-171.5-65.800112.7R320 T321R320-M338 HydrophobicContact CB-CG 3.71Å; R320-M338 HydrophobicContact CB-SD 3.9Å; R320-M338 VanDerWaalsContact O-CE 3.3Å; R320-M338 WeakPolarHBondContact O-CE 3.44Å; T321-M338 HydrophobicContact CG2-CE 4Å; T321-M338 HydrophobicContact CG2-SD 3.55Å; T321-M338 VanDerWaalsContact CG2-SD 3.55Å
339R83.4Confident85.7Confident66 Ų6666 Ų6625%0.24935%0.345CS..  trans-136.5141.3-174-62.1167.757.2167.53.1112R317 F337 D341 H342 L343R317-R339 HydrophobicContact CG-CG 4.29Å; F337-R339 VanDerWaalsContact C-N 3.3Å; R339-D341 VanDerWaalsContact CB-OD1 3.31Å; R339-D341 WeakPolarHBondContact CB-OD1 3.35Å; R339-D341 IonicContact CZ-OD1 2.82Å; R339-D341 VanDerWaalsContact CZ-OD1 3.31Å; R339-D341 IonicContact CZ-OD2 3.11Å; R339-D341 IonicContact NE-OD1 3.7Å; R339-D341 PolarHBondContact NE-OD1 2.84Å; R339-D341 IonicContact NE-OD2 2.82Å; R339-D341 VanDerWaalsContact NH2-CG 3.26Å; R339-D341 IonicContact NH2-OD1 2.74Å; R339-D341 PolarHBondContact NH2-OD1 3.24Å; R339-D341 VanDerWaalsContact NH2-OD1 3.08Å; R339-D341 IonicContact NH2-OD2 3.61Å; R339-D341 PolarHBondContact NH2-OD2 3.39Å; R339-H342 HydrophobicContact CB-CB 4.17Å; R339-H342 WeakPolarHBondContact CD-NE2 3.41Å; R339-H342 PolarHBondContact NE-CD2 3.22Å; R339-H342 PolarHBondContact NE-NE2 3.1Å; R339-H342 PolarHBondContact NH1-NE2 3.32Å; R339-H342 PolarHBondContact O-N 2.85Å; R339-L343 PolarHBondContact O-N 2.86Å; R339-L343 VanDerWaalsContact O-N 3.17Å
340S87.1Confident85.5Confident71 Ų7164.8 Ų64.850%0.49734%0.335SS..Hα-helixtrans-66.2-36.1176.250.20000113.3H342 L343 A344S340-H342 VanDerWaalsContact C-N 3.34Å; S340-L343 WeakPolarHBondContact O-CB 3.43Å; S340-L343 PolarHBondContact O-N 3.38Å; S340-A344 WeakPolarHBondContact O-CB 3.34Å; S340-A344 PolarHBondContact O-N 2.84Å
341D88Confident84.6Confident57 Ų5772.2 Ų72.231%0.30537%0.37SS..Hα-helixtrans-72.3-29.2178.972.4-60.8000112.6R339 K345R339-D341 VanDerWaalsContact CB-OD1 3.31Å; R339-D341 WeakPolarHBondContact CB-OD1 3.35Å; R339-D341 IonicContact CZ-OD1 2.82Å; R339-D341 VanDerWaalsContact CZ-OD1 3.31Å; R339-D341 IonicContact CZ-OD2 3.11Å; R339-D341 IonicContact NE-OD1 3.7Å; R339-D341 PolarHBondContact NE-OD1 2.84Å; R339-D341 IonicContact NE-OD2 2.82Å; R339-D341 VanDerWaalsContact NH2-CG 3.26Å; R339-D341 IonicContact NH2-OD1 2.74Å; R339-D341 PolarHBondContact NH2-OD1 3.24Å; R339-D341 VanDerWaalsContact NH2-OD1 3.08Å; R339-D341 IonicContact NH2-OD2 3.61Å; R339-D341 PolarHBondContact NH2-OD2 3.39Å; D341-K345 WeakPolarHBondContact O-CG 3.16Å; D341-K345 PolarHBondContact O-N 3.17Å
342H88.7Confident83.6Confident81 Ų8175.5 Ų75.538%0.37538%0.383SS..Hα-helixtrans-68.1-43.9169.7-73.6-150.3000110.7F337 R339 S340 K345 H346F337-H342 HydrophobicContact CB-CB 4.45Å; F337-H342 HydrophobicContact CD1-CB 3.94Å; F337-H342 HydrophobicContact CG-CB 4.49Å; R339-H342 HydrophobicContact CB-CB 4.17Å; R339-H342 WeakPolarHBondContact CD-NE2 3.41Å; R339-H342 PolarHBondContact NE-CD2 3.22Å; R339-H342 PolarHBondContact NE-NE2 3.1Å; R339-H342 PolarHBondContact NH1-NE2 3.32Å; R339-H342 PolarHBondContact O-N 2.85Å; S340-H342 VanDerWaalsContact C-N 3.34Å; H342-K345 PolarHBondContact O-N 3.37Å; H342-H346 WeakPolarHBondContact O-CB 3.25Å; H342-H346 PolarHBondContact O-N 3.13Å
343L89.7Confident82.6Confident30 Ų3080.6 Ų80.616%0.15740%0.403CS..Hα-helixtrans-59.3-47.4172.1171.662.3000111.2F328 V329 C330 F337 R339 S340 K345 H346 V347F328-L343 HydrophobicContact CB-CB 4.24Å; F328-L343 HydrophobicContact CB-CD2 3.92Å; V329-L343 WeakPolarHBondContact O-CD2 2.98Å; C330-L343 HydrophobicContact CB-CD1 3.84Å; F337-L343 HydrophobicContact CB-CB 4.34Å; F337-L343 HydrophobicContact CD2-CB 4.06Å; F337-L343 HydrophobicContact CD2-CD1 3.94Å; F337-L343 HydrophobicContact CE2-CD1 4.14Å; F337-L343 HydrophobicContact CG-CB 4.27Å; R339-L343 PolarHBondContact O-N 2.86Å; R339-L343 VanDerWaalsContact O-N 3.17Å; S340-L343 WeakPolarHBondContact O-CB 3.43Å; S340-L343 PolarHBondContact O-N 3.38Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.3Å; L343-H346 CarbonylContact O-C 3.58Å; L343-H346 WeakPolarHBondContact O-CA 3.36Å; L343-H346 WeakPolarHBondContact O-CB 3.39Å; L343-H346 PolarHBondContact O-N 3.38Å; L343-V347 HydrophobicContact CD1-CG2 3.68Å; L343-V347 HydrophobicContact CG-CG2 4.19Å; L343-V347 WeakPolarHBondContact O-CG2 3.31Å; L343-V347 PolarHBondContact O-N 3.47Å
344A88.6Confident81Confident54 Ų5488.4 Ų88.445%0.44643%0.433SS..Hα-helixtrans-62.7-35.7-179.200000113S340 K348S340-A344 WeakPolarHBondContact O-CB 3.34Å; S340-A344 PolarHBondContact O-N 2.84Å; A344-K348 WeakPolarHBondContact O-CG 3.12Å
345K87.8Confident79.8Confident145 Ų14592.1 Ų92.163%0.6345%0.45SS*.Hα-helixtrans-67.6-40.9169.6-73.6174.1-179.7-179.50111.8D341 H342 L343 K348D341-K345 WeakPolarHBondContact O-CG 3.16Å; D341-K345 PolarHBondContact O-N 3.17Å; H342-K345 PolarHBondContact O-N 3.37Å; L343-K345 VanDerWaalsContact C-N 3.32Å; L343-K345 PolarHBondContact O-N 3.3Å; K345-K348 PolarHBondContact O-N 3.34Å
346H88.4Confident78.8Confident27 Ų2795.3 Ų95.313%0.12546%0.464CS..Hα-helixtrans-67.5-41.3179.3175.154.9000113.3C330 C333 F337 H342 L343 K348 T349 H350C330-H346 PolarHBondContact SG-CD2 3.44Å; C333-H346 PolarHBondContact SG-NE2 3.27Å; F337-H346 HydrophobicContact CE1-CB 3.98Å; F337-H346 HydrophobicContact CE2-CB 4.06Å; F337-H346 AromaticContact CE2-CD2 3.27Å; F337-H346 WeakPolarHBondContact CE2-CD2 3.48Å; F337-H346 AromaticContact CE2-CG 3.78Å; F337-H346 HydrophobicContact CZ-CB 3.54Å; F337-H346 AromaticContact CZ-CD2 3.23Å; F337-H346 WeakPolarHBondContact CZ-CD2 3.3Å; F337-H346 AromaticContact CZ-CG 3.28Å; F337-H346 AromaticContact CZ-NE2 3.91Å; H342-H346 WeakPolarHBondContact O-CB 3.25Å; H342-H346 PolarHBondContact O-N 3.13Å; L343-H346 CarbonylContact O-C 3.58Å; L343-H346 WeakPolarHBondContact O-CA 3.36Å; L343-H346 WeakPolarHBondContact O-CB 3.39Å; L343-H346 PolarHBondContact O-N 3.38Å; H346-K348 PolarHBondContact O-N 3.07Å; H346-T349 PolarHBondContact ND1-OG1 3.44Å; H346-T349 WeakPolarHBondContact O-CA 3.44Å; H346-T349 WeakPolarHBondContact O-CB 3.39Å; H346-T349 PolarHBondContact O-N 2.83Å; H346-T349 PolarHBondContact O-OG1 3.43Å; H346-H350 AromaticContact CD2-NE2 3.68Å; H346-H350 AromaticContact CE1-CE1 3.44Å; H346-H350 PolarHBondContact CE1-CE1 3.31Å; H346-H350 VanDerWaalsContact CE1-CE1 3.44Å; H346-H350 AromaticContact CE1-NE2 3.36Å; H346-H350 PolarHBondContact CE1-NE2 2.93Å; H346-H350 AromaticContact NE2-CE1 3.49Å; H346-H350 PolarHBondContact NE2-CE1 3.45Å; H346-H350 AromaticContact NE2-NE2 3.01Å; H346-H350 PolarHBondContact NE2-NE2 3.09Å
347V86.4Confident77.7Confident57 Ų5793.3 Ų93.335%0.34546%0.463SS..Hα-helixtrans-59.5-34.3178.1171.30000111.3L343 T349 H350L343-V347 HydrophobicContact CD1-CG2 3.68Å; L343-V347 HydrophobicContact CG-CG2 4.19Å; L343-V347 WeakPolarHBondContact O-CG2 3.31Å; L343-V347 PolarHBondContact O-N 3.47Å; V347-T349 PolarHBondContact O-N 2.93Å; V347-T349 VanDerWaalsContact O-N 3.16Å; V347-H350 PolarHBondContact O-N 2.88Å
348K87.9Confident76.6Confident144 Ų14498.8 Ų98.863%0.62649%0.489SS*.G310 helixtrans-62.1-19.4172.3-64.5177.5-178.5-167.10113.7A344 K345 H346 H350 Q351A344-K348 WeakPolarHBondContact O-CG 3.12Å; K345-K348 PolarHBondContact O-N 3.34Å; H346-K348 PolarHBondContact O-N 3.07Å; K348-H350 VanDerWaalsContact C-N 3.31Å; K348-Q351 VanDerWaalsContact O-CD 3.24Å; K348-Q351 VanDerWaalsContact O-CG 3.22Å; K348-Q351 WeakPolarHBondContact O-CG 3.37Å; K348-Q351 PolarHBondContact O-OE1 3.2Å
349T85Confident75.4Confident95 Ų95104.8 Ų104.858%0.58352%0.517SS*.G310 helixtrans-78.1-13.7174.970.30000113.5H346 V347 Q351H346-T349 PolarHBondContact ND1-OG1 3.44Å; H346-T349 WeakPolarHBondContact O-CA 3.44Å; H346-T349 WeakPolarHBondContact O-CB 3.39Å; H346-T349 PolarHBondContact O-N 2.83Å; H346-T349 PolarHBondContact O-OG1 3.43Å; V347-T349 PolarHBondContact O-N 2.93Å; V347-T349 VanDerWaalsContact O-N 3.16Å; T349-Q351 VanDerWaalsContact C-N 3.27Å; T349-Q351 PolarHBondContact O-N 3.48Å
350H81.3Confident73.9Confident34 Ų34111.6 Ų111.616%0.15755%0.548CS..G310 helixtrans-84.87177.5-61.6-46.1000114.4C330 D332 C333 H346 V347 K348 N352 K353C330-H350 VanDerWaalsContact SG-CD2 3.52Å; C330-H350 PolarHBondContact SG-NE2 2.88Å; D332-H350 IonicContact OD2-CD2 3.24Å; D332-H350 PolarHBondContact OD2-CD2 3.28Å; D332-H350 VanDerWaalsContact OD2-CD2 3.24Å; D332-H350 IonicContact OD2-CG 3.93Å; C333-H350 VanDerWaalsContact SG-CE1 3.56Å; C333-H350 PolarHBondContact SG-NE2 2.93Å; H346-H350 AromaticContact CD2-NE2 3.68Å; H346-H350 AromaticContact CE1-CE1 3.44Å; H346-H350 PolarHBondContact CE1-CE1 3.31Å; H346-H350 VanDerWaalsContact CE1-CE1 3.44Å; H346-H350 AromaticContact CE1-NE2 3.36Å; H346-H350 PolarHBondContact CE1-NE2 2.93Å; H346-H350 AromaticContact NE2-CE1 3.49Å; H346-H350 PolarHBondContact NE2-CE1 3.45Å; H346-H350 AromaticContact NE2-NE2 3.01Å; H346-H350 PolarHBondContact NE2-NE2 3.09Å; V347-H350 PolarHBondContact O-N 2.88Å; K348-H350 VanDerWaalsContact C-N 3.31Å; H350-N352 PolarHBondContact O-N 3.27Å; H350-K353 PolarHBondContact O-N 2.96Å
351Q69.1Low72.1Confident156 Ų156113 Ų11373%0.72955%0.554SS**THydrogen-bonded Turntrans-52.2-17.3-177.1-81.5172.5-9.100115.1K348 T349K348-Q351 VanDerWaalsContact O-CD 3.24Å; K348-Q351 VanDerWaalsContact O-CG 3.22Å; K348-Q351 WeakPolarHBondContact O-CG 3.37Å; K348-Q351 PolarHBondContact O-OE1 3.2Å; T349-Q351 VanDerWaalsContact C-N 3.27Å; T349-Q351 PolarHBondContact O-N 3.48Å
352N59.9Low70.3Confident162 Ų162116.2 Ų116.287%0.86657%0.565SS**THydrogen-bonded Turntrans-134.715.4173.3-75-54.5000115.5H350H350-N352 PolarHBondContact O-N 3.27Å
353K61.3Low68.5Low150 Ų150117.1 Ų117.165%0.65257%0.573SS**  trans-141.294.6177.1-78.5-170.9175.3177.20113.2H350 N355H350-K353 PolarHBondContact O-N 2.96Å; K353-N355 VanDerWaalsContact C-N 3.35Å; K353-N355 PolarHBondContact O-N 3.41Å; K353-N355 VanDerWaalsContact O-N 3.1Å
354K52.2Low66.6Low200 Ų200121.3 Ų121.387%0.8759%0.591SS**  trans-77.581.6164.9-74.3-178.6178.2174.10110.7
355N59.2Low64.8Low107 Ų107124 Ų12457%0.57260%0.595SS**PPolyproline II helixtrans-80.5144.5154-65.93.7000107.1D332 K353D332-N355 CarbonylContact C-O 3.42Å; D332-N355 CarbonylContact O-C 3.5Å; K353-N355 VanDerWaalsContact C-N 3.35Å; K353-N355 PolarHBondContact O-N 3.41Å; K353-N355 VanDerWaalsContact O-N 3.1Å
356K60.5Low63Low190 Ų190120 Ų12083%0.82658%0.582SS**PPolyproline II helixtrans-95.3139174-77.3-176.4175.7179.80109.9D332D332-K356 CarbonylContact O-C 3.41Å; D332-K356 VanDerWaalsContact O-C 3.23Å
357C62.3Low60.9Low48 Ų48125 Ų12532%0.32460%0.604SS.*PPolyproline II helixtrans-74.9128.2172.5-1780000110.2P331 D332 C334P331-C357 WeakPolarHBondContact O-CB 3.36Å; D332-C357 PolarHBondContact O-N 2.9Å; C334-C357 VanDerWaalsContact CA-SG 3.6Å; C334-C357 HydrophobicContact CB-CB 4.24Å; C334-C357 WeakPolarHBondContact CB-SG 3.41Å; C334-C357 WeakPolarHBondContact SG-CA 3.46Å; C334-C357 WeakPolarHBondContact SG-CB 3.32Å; C334-C357 CovalentContact SG-SG 2.03Å; C334-C357 PolarHBondContact SG-SG 3.02Å
358H60.1Low58.9Low157 Ų157129.8 Ų129.873%0.72762%0.615SS**  trans-97.2114.5167.8-81.4-76.6000109.7K360H358-K360 PolarHBondContact O-N 3.12Å; H358-K360 VanDerWaalsContact O-N 3.12Å
359E56.4Low56.9Low170 Ų170126.8 Ų126.879%0.79460%0.603SS**G310 helixtrans-64.5-17.7-166-163.1166.7-176.700115.3T361 F362E359-T361 PolarHBondContact O-N 2.93Å; E359-F362 PolarHBondContact O-N 2.93Å
360K51.3Low54.9Low209 Ų209127.1 Ų127.191%0.90960%0.602SS**G310 helixtrans-64.7-0.6-171.6-63.7-172.8176.3-175.90116.4H358H358-K360 PolarHBondContact O-N 3.12Å; H358-K360 VanDerWaalsContact O-N 3.12Å
361T51.2Low53.2Low99 Ų99133.4 Ų133.461%0.60763%0.633SS**G310 helixtrans-99.84.2178.956.30000114.1E359E359-T361 PolarHBondContact O-N 2.93Å
362F49.2Very low52.1Low126 Ų126134.2 Ų134.255%0.55363%0.63SS**Hα-helixtrans-65.2-52.2-175.3-171.9-105.6000113.7E359E359-F362 PolarHBondContact O-N 2.93Å
363D51.4Low51.3Low100 Ų100133.5 Ų133.554%0.53563%0.626SS.*Hα-helixtrans-75.5-35.2-170.7-74.6-79000115.5H365 K367D363-H365 VanDerWaalsContact C-N 3.29Å; D363-H365 PolarHBondContact O-N 3.47Å; D363-K367 PolarHBondContact O-N 3.01Å
364H49.7Very low50.1Low117 Ų117135.6 Ų135.654%0.54265%0.651SS.*Hα-helixtrans-69-28.5-169.3-158.9-29.5000112.6R368H364-R368 VanDerWaalsContact CE1-CZ 3.45Å
365H49.4Very low50Low112 Ų112132.4 Ų132.452%0.51964%0.64SS.*Hα-helixtrans-84.2-28.4-176-147-37.6000113.4D363 E369D363-H365 VanDerWaalsContact C-N 3.29Å; D363-H365 PolarHBondContact O-N 3.47Å; H365-E369 IonicContact CE1-OE1 3.48Å; H365-E369 IonicContact ND1-OE1 2.77Å
366V51.6Low49.5Very low59 Ų59133.7 Ų133.736%0.35864%0.643SS.*Hα-helixtrans-73.8-51.7178.2-178.10000110.1R368 E369 D370V366-R368 PolarHBondContact O-N 3.23Å; V366-E369 PolarHBondContact O-N 2.94Å; V366-D370 PolarHBondContact O-N 3.31Å
367K44Very low48.9Very low134 Ų134130.6 Ų130.658%0.58363%0.633SS**Hα-helixtrans-59.2-24179.4-67.9-178.7178.6177.10114.2D363D363-K367 PolarHBondContact O-N 3.01Å
368R44.2Very low48.1Very low157 Ų157135.5 Ų135.559%0.59265%0.651SS**Hα-helixtrans-82.7-9.2176.4-95.9-173.4171.3161.1-0.7114.7H364 V366 R372H364-R368 VanDerWaalsContact CE1-CZ 3.45Å; V366-R368 PolarHBondContact O-N 3.23Å; R368-R372 PolarHBondContact O-NE 3.3Å; R368-R372 PolarHBondContact O-NH2 3.19Å
369E44.8Very low47.3Very low80 Ų80134.1 Ų134.137%0.37465%0.647SS.*Hα-helixtrans-100.8-35.9174.4-69.5-178.3173.200110.8H365 V366 R372H365-E369 IonicContact CE1-OE1 3.48Å; H365-E369 IonicContact ND1-OE1 2.77Å; V366-E369 PolarHBondContact O-N 2.94Å; E369-R372 PolarHBondContact O-N 3.18Å
370D43.8Very low46.7Very low103 Ų103131.7 Ų131.755%0.55164%0.637SS**Hα-helixtrans-62.1-43.4173.5-60.7-38000112.4V366 R372 N373V366-D370 PolarHBondContact O-N 3.31Å; D370-R372 PolarHBondContact O-N 3.32Å; D370-R372 VanDerWaalsContact O-N 3.16Å; D370-N373 PolarHBondContact O-N 2.96Å
371M44.8Very low46.4Very low165 Ų165126.2 Ų126.281%0.81362%0.617SS**THydrogen-bonded Turntrans-73.42.7177.2-70.7-169.8178.900115.3
372R46.7Very low46Very low174 Ų174128.3 Ų128.366%0.65762%0.618SS**THydrogen-bonded Turntrans-110.11.5176.5-105-177.8-63.41606.2113.9R368 E369 D370R368-R372 PolarHBondContact O-NE 3.3Å; R368-R372 PolarHBondContact O-NH2 3.19Å; E369-R372 PolarHBondContact O-N 3.18Å; D370-R372 PolarHBondContact O-N 3.32Å; D370-R372 VanDerWaalsContact O-N 3.16Å
373N43.2Very low45.8Very low146 Ų146128.5 Ų128.578%0.78162%0.624SS**  trans-122.422.7-179.3-74.7-39.3000112.6D370D370-N373 PolarHBondContact O-N 2.96Å
374V35.7Very low45.3Very low195 Ų195131.1 Ų131.1100%1.18263%0.632SS**  trans-119.30173.7-179.40000108.5

Retrieved 374 of 374 residues in 426.9 ms (Link to these results)