A0A3B3U859_9TELE Loading...

Zic family member 2 (odd-paired homolog, Drosophila), a

AlphaFold DB , UniProt , Accession A0A3B3U859, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 445 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
1M39.5Very low38.5Very low231 Ų231143.3 Ų143.3100%1.13883%0.825SS**  0105.70-62.8157.5-174.900104.6
2L34.6Very low38.3Very low154 Ų154147.2 Ų147.281%0.80684%0.839SS**  58.1121.351.1-56.9160.6000110.4
3L38.3Very low37.8Very low152 Ų152141.8 Ų141.880%0.79684%0.837SS**  cis-154.7153.4-7.7-94.9171.3000107.8
4D34.3Very low37.5Very low166 Ų166142.6 Ų142.689%0.88884%0.843SS**  trans-152.1113.7140.2-153.6-23.1000110.3
5A42.8Very low37.2Very low91 Ų91137.2 Ų137.275%0.75283%0.829SS**  trans-172.2120.1176.200000110
6G33.4Very low37.1Very low77 Ų77136.9 Ų136.979%0.79483%0.828SS**  trans-152.9116.9176.500000112.3
7H38.6Very low36.9Very low162 Ų162140.7 Ų140.775%0.7583%0.831SS**  trans-80.6168.1171.6-75.3-52.3000110.2
8Q37.4Very low36.5Very low169 Ų169138 Ų13879%0.7983%0.827SS**  -160.8164.652.1-14787.31900115.2
9F37.6Very low36.4Very low169 Ų169142.8 Ų142.874%0.74183%0.829SS**  trans-59.8-179.2171.9-72.1-83.6000115.2
10P54.6Low36.2Very low129 Ų129144.3 Ų144.384%0.83883%0.828SS**  cis-140.8176.715.542.7-23.5000118.9
11G33Very low36.2Very low76 Ų76145.7 Ų145.778%0.78483%0.827SS**  trans-165.1141166.300000112.2
12L35.4Very low35.8Very low190 Ų190140 Ų140100%0.99581%0.81SS**  trans-100.8152.6-176.1-73157.8000112
13G31.4Very low35.5Very low78 Ų78137.2 Ų137.280%0.80481%0.809SS**  trans175.8105.1169.300000114.3
14V34.9Very low35.1Very low152 Ų152135.8 Ų135.892%0.92181%0.812SS**  trans-103.3135.5171.6-171.40000108.5
15G32.1Very low34.9Very low62 Ų62136.6 Ų136.664%0.63981%0.81SS**  trans-154.995-176.900000113.7
16T35.3Very low34.4Very low132 Ų132140 Ų14081%0.8181%0.813SS**  trans-81.7134.8169.947.70000111.1
17F33.7Very low34.4Very low202 Ų202143 Ų14389%0.88681%0.806SS**  trans-132.1101.1168-78.8-76.2000111.9
18A31.2Very low34Very low92 Ų92142.1 Ų142.176%0.7681%0.806SS**  trans-74152.4156.100000109.4
19R34.4Very low33.8Very low229 Ų229145.4 Ų145.486%0.86481%0.812SS**  trans-136.792.8174.2-147.9174.7-164.5167.35.7110.8
20H32.2Very low33.3Very low173 Ų173143.9 Ų143.980%0.80181%0.811SS**  trans-65.8148.6158.5-78.9-103.2000109.3
21H35.1Very low32.3Very low173 Ų173144.4 Ų144.480%0.80181%0.807SS**  trans-139.5140.5147.3-110.2-86.8000109
22S31.2Very low32.1Very low112 Ų112144.8 Ų144.878%0.78380%0.797SS**  trans-85.9165.8-171.9-51.60000112.5
23A29.2Very low32Very low96 Ų96142.9 Ų142.979%0.79379%0.787SS**  trans-70.9162.8173.400000112.8
24S30.1Very low32Very low122 Ų122143.3 Ų143.385%0.85378%0.783SS**  trans-138.8139.4153.3-68.10000108.4
25E29.6Very low32Very low183 Ų183143.4 Ų143.486%0.85577%0.773SS**  trans-82.6168.7178.3-59.6152113.800111.3
26M31.8Very low31.9Very low163 Ų163148.3 Ų148.380%0.80379%0.785SS**  -179.5140.8119.3-96.9179.1-174.600114.4
27Q33.2Very low31.7Very low138 Ų138146.7 Ų146.765%0.64578%0.779SS**  trans44.5105.6161.6-76.47966.300121.8
28D30Very low31.5Very low144 Ų144145.8 Ų145.877%0.7778%0.775SS**  36.3122.4105.6-53-59.3000120.8
29R34.1Very low31.8Very low238 Ų238146.2 Ų146.290%0.89877%0.768SS**  -147.2136.9115.3-92.2-162.887.2134.42.8111.3
30D27.3Very low31.7Very low138 Ų138142.2 Ų142.274%0.73876%0.763SS**  trans-103.4-175.7-179.6-158.5-11.4000111.5
31L32.3Very low31.7Very low140 Ų140139.2 Ų139.273%0.73376%0.762SS**  trans97.7107.9-167.4-59.4164.3000111.5
32S29.3Very low31.5Very low84 Ų84134.9 Ų134.959%0.58776%0.756SS**  cis65.9137.629103.10000113.4
33L33.5Very low31.7Very low150 Ų150138.9 Ų138.979%0.78576%0.762SS**  cis-124.1-177.41.8-57.984.9000109.4
34A31.8Very low32Very low86 Ų86143.1 Ų143.171%0.71177%0.768SS**  cis-142.9149.91.800000107.7
35Q34.6Very low32Very low154 Ų154141 Ų14172%0.7277%0.766SS**  cis75.594.636.5-163.8172.611.600114.6
36N30.1Very low32Very low166 Ų166137 Ų13789%0.88876%0.764SS**  trans-151.7118.4131.3-98.3-29.8000110.5
37S31.6Very low32Very low97 Ų97139.2 Ų139.268%0.67877%0.769SS**  trans-76.5-175167.642.80000110.1
38F28.6Very low31.8Very low184 Ų184141.3 Ų141.381%0.80778%0.776SS**  169.813852.6-171.8-102.2000105.7
39V37.8Very low32Very low101 Ų101142.3 Ų142.361%0.61278%0.781SS**  cis-142.3165.4-1.7-91.90000107.2
40D31.5Very low31.8Very low144 Ų144137.1 Ų137.177%0.7777%0.771SS**  cis89.2162.127.8-15926.3000116
41S33.3Very low31.9Very low110 Ų110138.2 Ų138.277%0.76977%0.771SS**  trans75.5100.9-166-540000114
42A31.3Very low31.6Very low83 Ų83137.4 Ų137.469%0.68677%0.768SS**  cis84.7124.934.400000115.5
43H35.7Very low31.6Very low195 Ų195141.4 Ų141.490%0.90378%0.781SS**  trans-164.9127.8130.6-114.1-75.4000111.3
44M34.3Very low31.4Very low186 Ų186139.2 Ų139.292%0.91678%0.778SS**  trans-97134163.7-79.2-76.3-164.300108.8
45G29.6Very low31.9Very low78 Ų78141.4 Ų141.480%0.80479%0.786SS**  trans-104.1104.3171.700000110.8
46A31.3Very low31.6Very low99 Ų99137.7 Ų137.782%0.81879%0.789SS**  trans-89.5126175.400000110.7K48A46-K48 PolarHBondContact O-N 2.72Å
47F31.1Very low31.8Very low208 Ų208139.3 Ų139.391%0.91279%0.791SS**  trans-75.9121.7168.1-87.4-97.4000109.9
48K29.3Very low31.8Very low183 Ų183140 Ų14080%0.79680%0.796SS**  trans-138.3120.7162.3-169.6164.6-178.4175.90109.8A46A46-K48 PolarHBondContact O-N 2.72Å
49L34.7Very low31.9Very low165 Ų165136.8 Ų136.886%0.86480%0.796SS**  trans-85.4144171-60.9170.2000108.6
50N28.2Very low31.5Very low128 Ų128136.4 Ų136.468%0.68480%0.804SS**  trans-120.9128.5171.5-82.7-6000109.2
51H31Very low31.3Very low162 Ų162138.3 Ų138.375%0.7581%0.805SS**  trans56.1156.6144.1-80.1-101.5000119.3
52D26.1Very low31.2Very low123 Ų123138.1 Ų138.166%0.65880%0.8SS**  cis-145.1162.514-123.5-40.3000112.1
53L28.6Very low31.3Very low168 Ų168139.2 Ų139.288%0.8880%0.798SS**  trans-174.3136136.1-103.9173.1000111
54S29.5Very low31.1Very low103 Ų103138.2 Ų138.272%0.7279%0.794SS**  trans-89164.8-163.5-34.90000115.3
55P41.1Very low31Very low133 Ų133133.8 Ų133.886%0.86479%0.787SS**  trans-123.8138.213335.7-28.1000111.5
56G29.5Very low32Very low76 Ų76136.1 Ų136.178%0.78479%0.788SS**  trans-174.5121.1177.700000112.1
57Q34.4Very low31.9Very low199 Ų199135 Ų13593%0.9379%0.786SS**  trans-78.2157.8-171.9-67.3174.2-13.300113.3
58S30.5Very low32Very low113 Ų113136 Ų13679%0.7979%0.785SS**  trans-75137.4169.155.20000112.7
59S31.8Very low33.1Very low115 Ų115132.7 Ų132.780%0.80478%0.782SS**  -174.3142.6115.748.60000114.8
60A29.5Very low32.9Very low94 Ų94129.5 Ų129.578%0.77778%0.78SS**  trans65.5133.8142.700000123.7
61F27.1Very low33Very low183 Ų183128 Ų12880%0.80379%0.785SS**  trans92.985.1138.8-112-98.3000122.5
62T31.3Very low33Very low107 Ų107124.2 Ų124.266%0.65678%0.782SS**  43.6122116.5-30.50000119.8
63T32.1Very low33.5Very low105 Ų105127.1 Ų127.164%0.64480%0.797SS**  168.8130106.5-65.80000112.8
64Q32.3Very low33.5Very low175 Ų175122.6 Ų122.682%0.81879%0.791SS**  trans26.3123154.8-58.7157.316.800119.8
65A32Very low33.5Very low93 Ų93122.1 Ų122.177%0.76979%0.793SS**  79.1154.858.600000113
66P50.3Low33.2Very low126 Ų126125 Ų12582%0.81879%0.794SS**  -130178.4-110.735.3-15.2000116.4
67G29.9Very low33.2Very low76 Ų76125.7 Ų125.778%0.78479%0.793SS**  trans-140.7119.4175.400000114.9
68Y31.8Very low33.1Very low228 Ų228120.9 Ų120.989%0.89479%0.787SS**  trans-103.7-175163.2-84.7-74.2000108.1
69P53.5Low33.2Very low114 Ų114124.3 Ų124.374%0.7479%0.791SS**  cis-142.3175.19.344.3-26.5000118.3
70A30.1Very low33.1Very low98 Ų98124.1 Ų124.181%0.8178%0.784SS**  trans60.1164149.400000118.5
71A31.1Very low33.2Very low96 Ų96125.8 Ų125.879%0.79379%0.785SS**  cis-159.9172.10.900000107.6
72A31.1Very low33.4Very low84 Ų84120.4 Ų120.469%0.69477%0.77SS**  cis-169.1-169.3-13.100000108.4
73L35.2Very low33.3Very low183 Ų183125.9 Ų125.996%0.95878%0.78SS**  trans73.4145.1175.6-47.1173.7000115.3
74G28.8Very low33.2Very low74 Ų74124.8 Ų124.876%0.76378%0.782SS**  cis-164164-1.500000112.9
75A31Very low33.1Very low92 Ų92122.5 Ų122.576%0.7679%0.785SS**  trans-55.3150.9-164.700000118.8
76H34.6Very low33Very low193 Ų193123.4 Ų123.489%0.89479%0.786SS**  -157.5153.2111.3-107.2-78.7000110.9
77A29.2Very low32.9Very low92 Ų92122 Ų12276%0.7678%0.777SS**  trans-152.5177.4-174.500000112.3
78A32Very low32.8Very low97 Ų97127.3 Ų127.380%0.80278%0.779SS**  trans77.9143.5-173.700000115.2
79H32Very low32.6Very low186 Ų186123.1 Ų123.186%0.86177%0.772SS**  cis-140173.20.2-151.2-95.4000112.8
80V30.9Very low31.5Very low111 Ų111121.5 Ų121.567%0.67376%0.763SS**  trans-118.8139.9-164.5172.60000114
81T30.5Very low31.6Very low129 Ų129122.3 Ų122.379%0.79176%0.758SS**  trans-170.5116.8141.723.70000107.3
82S31.9Very low31.8Very low69 Ų69128 Ų12848%0.48376%0.759SS.*  52.2125.262.878.50000112.9
83Y29.8Very low31.7Very low223 Ų223129.2 Ų129.288%0.87575%0.754SS**  cis-150.2168.615.8-68.6-83.6000109.3
84A28.9Very low31.9Very low82 Ų82129.8 Ų129.868%0.67875%0.749SS**  cis-174.9-170.6-22.900000109.1
85S31.3Very low32Very low127 Ų127134.4 Ų134.489%0.88876%0.755SS**  trans75.9133165.2-59.50000120.2
86S29.9Very low32.1Very low112 Ų112138.8 Ų138.878%0.78376%0.757SS**  trans-106.8-165.6175.856.30000109.8
87P46.8Very low31.8Very low97 Ų97141.5 Ų141.563%0.6376%0.76SS**  -134.9-163.8-60.838.4-20.5000112.4
88F27.4Very low32Very low187 Ų187141.7 Ų141.782%0.8276%0.755SS**  trans64.9122.7168.6-82.8-114.1000115.8
89N29.2Very low32Very low140 Ų140149.4 Ų149.475%0.74976%0.764SS**  91.4144.554.3-174.232.1000113.5
90S29.3Very low31.7Very low79 Ų79144 Ų14455%0.55276%0.758SS**  trans9097.7157.5-148.20000120.5
91T32.5Very low31.8Very low115 Ų115149.4 Ų149.471%0.70677%0.773SS**  70.3157.5127.658.70000122
92R34.6Very low31.6Very low216 Ų216147 Ų14782%0.81577%0.774SS**  trans77.9146.4164.4-46.4-156.272.2160.63.6115.1
93D30.7Very low31.4Very low110 Ų110152.7 Ų152.759%0.58879%0.793SS**  cis-154.2179.1-18.5-131.7-45.9000110.7
94F38.4Very low31.4Very low195 Ų195147.7 Ų147.786%0.85579%0.79SS**  trans-60.4144.2165.2-74.3-101.2000112.6
95L31.7Very low31.5Very low171 Ų171149.3 Ų149.390%0.89580%0.797SS**  trans-160157.8135.2-108.1-176.6000113.1
96F33.5Very low32.3Very low183 Ų183149.2 Ų149.280%0.80379%0.793SS**  trans-76.9147.6-177.5-91.9-112.4000114.2
97R28.3Very low32.4Very low250 Ų250148.3 Ų148.394%0.94379%0.793SS**  -158.1161.8128-120.1179179.8-159.7-0.5113.3
98S33Very low31.5Very low96 Ų96149.3 Ų149.367%0.67180%0.802SS**  trans-125.3170.7-166.4-35.20000113
99R31.4Very low31.6Very low260 Ų260143.8 Ų143.898%0.98180%0.798SS**  trans98.8147.8-177.9-62.8176.1168.8171-4.3113.4
100G25.8Very low31.9Very low71 Ų71145.4 Ų145.473%0.73280%0.801SS**  cis-141-175.311.500000116
101F32.6Very low32Very low225 Ų225150.6 Ų150.699%0.98782%0.816SS**  trans-76.8159.5175.8-83.9-123.9000111.9
102G26.8Very low31.9Very low79 Ų79149.8 Ų149.881%0.81482%0.821SS**  trans178.1112.4167.100000111.4
103E27.8Very low31.8Very low188 Ų188146.7 Ų146.788%0.87982%0.819SS**  trans-78.2150-172.2-61.8154.711200113.4
104S29Very low31.8Very low118 Ų118151.5 Ų151.583%0.82584%0.835SS**  -177.1148.3128.433.80000113.6
105S32.1Very low31.3Very low116 Ų116145.3 Ų145.381%0.81183%0.827SS**  trans-154.2152.2163.9-69.50000106.5
106P47.3Very low32.1Very low125 Ų125142.7 Ų142.781%0.81282%0.819SS**  -152.3162.3106.237.4-20.6000116.6
107A31.8Very low32Very low94 Ų94140 Ų14078%0.77782%0.819SS**  trans45.1133148.100000120.3
108S28.9Very low32.2Very low118 Ų118133.2 Ų133.283%0.82582%0.816SS**  cis-155.915544.1-560000109.7
109G30.1Very low32Very low71 Ų71132.3 Ų132.373%0.73282%0.821SS**  83.712764.900000110.6
110Q34.6Very low31.9Very low173 Ų173126 Ų12681%0.80882%0.817SS**  cis-153.5161.28.7-58172.7-7.800110.5
111H31.4Very low32Very low189 Ų189130 Ų13088%0.87582%0.821SS**  179170.4119.7-105.2-86000111.8
112A29.6Very low32Very low98 Ų98128.1 Ų128.181%0.8182%0.815SS**  trans-116.3178.7-152.100000117.1
113I32.9Very low32.2Very low151 Ų151132.3 Ų132.377%0.77481%0.813SS**  trans-92.7147.2-169.4-68.6160.8000112.6
114F31.5Very low32.2Very low210 Ų210128.2 Ų128.292%0.92181%0.805SS**  trans-169.3159.3131.1-101.4-67.9000111.6
115G26.9Very low32.4Very low66 Ų66131.1 Ų131.168%0.6881%0.805SS**  trans-93.6-149.3-177.900000114.2
116P50.1Low32.4Very low115 Ų115131 Ų13175%0.74780%0.8SS**  cis-147.8-158.214.642.9-20.4000116.7
117T30.8Very low31.6Very low128 Ų128131.3 Ų131.379%0.78580%0.795SS**  trans81126150.843.10000124.5
118A32.7Very low31.7Very low107 Ų107133.4 Ų133.488%0.88480%0.798SS**  trans62.7145.6143.100000121.1
119G28.4Very low32Very low76 Ų76137 Ų13778%0.78480%0.801SS**  cis-172.5159.7-3.600000112.9
120S29.3Very low32Very low128 Ų128139 Ų13990%0.89580%0.804SS**  trans-95147.4-173.9-61.30000113.9
121L28.5Very low31.9Very low154 Ų154138.5 Ų138.581%0.80680%0.802SS**  trans-141.6121.9163.4-107.7163.7000109.5
122H32.4Very low31.9Very low187 Ų187136 Ų13687%0.86679%0.794SS**  trans-130.3132.3170.9-115.3-113.7000107.3
123H31.3Very low31.9Very low167 Ų167139 Ų13977%0.77380%0.795SS**  trans-97.4139.8179.4-113.664.7000111
124S27.3Very low31.9Very low102 Ų102141.3 Ų141.371%0.71380%0.8SS**  trans-97151.9176.3-52.40000110.7
125H33.1Very low32.4Very low178 Ų178137.3 Ų137.382%0.82480%0.795SS**  trans-132.4162.4160.7-91.1-80.6000110.2
126T31.4Very low32.4Very low114 Ų114137.2 Ų137.270%0.69979%0.794SS**  trans-119.6-164.9-152.952.10000113.2
127D29.8Very low31.5Very low132 Ų132139.7 Ų139.771%0.70680%0.799SS**  trans99.299.4160.7-51.7-9.6000114.1
128T34.1Very low31.5Very low138 Ų138142 Ų14285%0.84780%0.801SS**  90.5144.755.865.60000113.9
129Q36.8Very low31.5Very low192 Ų192143.4 Ų143.490%0.89779%0.793SS**  trans-109.1143.5-166-58.7170.1-72.500113
130S28.5Very low31.8Very low114 Ų114146.6 Ų146.680%0.79779%0.788SS**  trans-178.1155.1151.646.90000109.4
131H32.7Very low32Very low162 Ų162148.4 Ų148.475%0.7578%0.782SS**  cis-173.8123.8-28.6-116.6-85.2000104.6
132I31.9Very low32Very low138 Ų138144.2 Ų144.271%0.70878%0.775SS**  trans37.6122.1149.1-29.8175.8000120.2
133L29.6Very low32Very low159 Ų159140.5 Ų140.583%0.83277%0.771SS**  173.4142.4113.8-91.4169.2000114.7
134F32Very low32.2Very low201 Ų201141.5 Ų141.588%0.88278%0.775SS**  trans-139.4133.9168.8-106.6-72.6000109
135P42.5Very low32.3Very low126 Ų126140.2 Ų140.282%0.81878%0.778SS**  trans-138.5147.1144.136.1-23000112.5
136G27.6Very low32.2Very low64 Ų64137.5 Ų137.566%0.6678%0.779SS**  cis171.9161.1-8.200000113
137I31Very low33.1Very low167 Ų167137.1 Ų137.186%0.85678%0.778SS**  trans36.3113.9153.346.3170.3000121.8
138H29.6Very low33.1Very low177 Ų177137.6 Ų137.682%0.81978%0.781SS**  -145.2159.5104.2-146.690.4000111
139D33.7Very low33Very low135 Ų135137 Ų13772%0.72278%0.777SS**  trans-105.8-168.6-161.6-144.7-68000114.3
140Q35.4Very low32.8Very low143 Ų143135.9 Ų135.967%0.66878%0.776SS**  trans87.3125.4172.4-58.4174.252.300115.9
141H32.5Very low32.9Very low167 Ų167138 Ų13877%0.77378%0.778SS**  cis-145171.4-0.8-106-59.2000111.2
142G29.5Very low32.8Very low65 Ų65133.5 Ų133.567%0.6778%0.776SS**  trans-73.1-172.2-17900000115.6
143S32.1Very low32.7Very low110 Ų110136.3 Ų136.377%0.76979%0.786SS**  cis-156.6171.821.4-79.60000114.4
144H35.7Very low32.9Very low188 Ų188138.1 Ų138.187%0.8779%0.793SS**  trans-23.7149.7168.4-40.2-76.6000118.4
145G28.3Very low32.9Very low75 Ų75140.4 Ų140.477%0.77380%0.796SS**  cis177.51771.500000114.9
146S30.6Very low32.7Very low121 Ų121143.1 Ų143.185%0.84680%0.802SS**  trans-80.2-179.2179.8-25.20000111.9
147P50.9Low32.7Very low105 Ų105143.6 Ų143.668%0.68281%0.807SS**  cis-150.4177.241.944.6-23.6000119.2
148N30.6Very low32.8Very low143 Ų143144 Ų14477%0.76581%0.81SS**  trans57.4124.7153.5-59.9-17.1000119.5
149V31.6Very low33.9Very low124 Ų124141.4 Ų141.475%0.75281%0.809SS**  67.4102.852.6-177.50000113.3
150L32Very low33.7Very low170 Ų170138.7 Ų138.789%0.8981%0.813SS**  -160.9174.5115.7-131.2110.3000113
151N32.2Very low33.5Very low157 Ų157140.3 Ų140.384%0.8482%0.82SS**  trans-92152.1-173.5-159.41.5000111.9
152G29.3Very low33.5Very low68 Ų68139.1 Ų139.170%0.70183%0.825SS**  trans-158.5133.4-177.400000114.1
153Q31.1Very low33.5Very low198 Ų198145.5 Ų145.593%0.92583%0.834SS**  trans-91148-170.9-64.3165.9-54.200113.2
154M31.9Very low33.3Very low196 Ų196144.2 Ų144.297%0.96684%0.838SS**  trans-82.2140.8167.4-69.3-175.4-76.500111.5
155R31.9Very low33Very low250 Ų250146.6 Ų146.694%0.94384%0.839SS**  trans-136.7142.2169.6-172.4170.9176.7166.2-1.5109.8
156L39Very low32.9Very low182 Ų182146.6 Ų146.695%0.95383%0.828SS**  trans-77.4151.8-168.4-64.9166.1000113.8
157G27.2Very low32.9Very low75 Ų75148.3 Ų148.377%0.77382%0.822SS**  trans-160.3126.6170.400000113.1
158L34.3Very low31.8Very low174 Ų174149.9 Ų149.991%0.91182%0.82SS**  trans-147.9170171.2-82.8176.5000106.2
159P51.3Low31.7Very low124 Ų124151.3 Ų151.381%0.80582%0.817SS**  cis-127.5-167.6-1.237.8-19.3000113.2
160G29.6Very low31.6Very low77 Ų77151.6 Ų151.679%0.79481%0.809SS**  trans-166.1133.2163.700000111.3
161E31.4Very low31.5Very low177 Ų177150.9 Ų150.983%0.82780%0.802SS**  trans-104.9167.4-175.3-56.5-178.2127.900112.6
162V32.3Very low31.1Very low143 Ų143149.1 Ų149.187%0.86780%0.796SS**  -179160.1126.4147.10000110.9
163F30.9Very low31Very low199 Ų199151.3 Ų151.387%0.87380%0.8SS**  trans-80.2161.9-164.2-81.1-115.5000116.6
164G28.3Very low30.9Very low82 Ų82147.2 Ų147.285%0.84579%0.794SS**  trans-175.773.1169.500000115.9
165R27.5Very low31.6Very low238 Ų238143.4 Ų143.490%0.89878%0.784SS**  trans-107.3160.6164.9-96.4-166.4-178.3-176.10.5108.8
166S27.3Very low31.6Very low75 Ų75142.6 Ų142.652%0.52478%0.781SS.*  cis-179.3162.5-25.150.90000106.9
167E30.1Very low31.2Very low157 Ų157140.3 Ų140.373%0.73477%0.774SS**  trans70.2158.2160.6-70.9-179.9109.400116.9
168Q28.8Very low31.4Very low138 Ų138144.2 Ų144.265%0.64578%0.778SS**  cis-159.7175.64.7-128.9172.633.300113
169Y26.7Very low32Very low174 Ų174141.3 Ų141.368%0.68277%0.769SS**  trans87.2116.8150.9-90.3-139000124.1
170H30.2Very low31Very low129 Ų129145.8 Ų145.860%0.59777%0.772SS**  75150.4126.2-71.731.7000119.9
171Q29.4Very low31.3Very low156 Ų156147 Ų14773%0.72977%0.768SS**  cis-160.5159.2-4.7-118.9-176.411.200114
172V25.3Very low31.3Very low119 Ų119143.2 Ų143.272%0.72177%0.767SS**  trans32.9125.4153.1-166.60000122.5
173S27.1Very low31.4Very low114 Ų114141.4 Ų141.480%0.79777%0.767SS**  174.3148.3119.4-77.90000114.6
174S29Very low31.5Very low113 Ų113139.4 Ų139.479%0.7976%0.76SS**  trans-136.1170.6172.3-50.10000110.6
175P46.4Very low31.8Very low115 Ų115143.9 Ų143.975%0.74776%0.764SS**  -148.6140.7114.835.4-19.3000117.2
176R31Very low32.1Very low233 Ų233138.8 Ų138.888%0.87975%0.75SS**  trans34.2133.4135.8-58.5176.3170.9173.5-4.2119.1
177T31.7Very low32.3Very low134 Ų134141.1 Ų141.182%0.82276%0.756SS**  -161.6139.262.637.50000114.3
178D29.9Very low32.3Very low157 Ų157140.7 Ų140.784%0.8476%0.755SS**  trans-114.4165.6167.5-63-68.9000111.2
179P47.5Very low32.5Very low114 Ų114144.4 Ų144.474%0.7476%0.764SS**  -139.8133.9123.218.72.6000115.9
180Y30.5Very low32.7Very low218 Ų218139.9 Ų139.986%0.85577%0.771SS**  trans59.8111.4156.7-72-106.2000117.8
181S35.2Very low32.8Very low103 Ų103139.7 Ų139.772%0.7278%0.783SS**  71.4143.352.291.40000113.9
182A32.8Very low33Very low97 Ų97140.7 Ų140.780%0.80279%0.79SS**  cis-150.9-173.87.400000109.1
183A33.3Very low33.3Very low104 Ų104141.6 Ų141.686%0.8679%0.791SS**  cis-150.8175.65.100000110.6
184Q32.7Very low33.6Very low157 Ų157145 Ų14573%0.73480%0.797SS**  trans-124137.6-172.6169.5-178.4-38.400112.4
185L34.7Very low33.9Very low177 Ų177145.5 Ų145.593%0.92779%0.79SS**  trans-143.3168.7152.4-96.6179.2000110.2
186H34.1Very low33.5Very low130 Ų130149 Ų14960%0.60280%0.799SS**  trans-145.7140.5-130.9-160.474.9000114.9
187N32.8Very low33.6Very low124 Ų124141 Ų14166%0.66379%0.789SS**  trans64.2162.3167.6-77.5-21000117.2
188Q30Very low33.8Very low149 Ų149142.9 Ų142.970%0.69679%0.791SS**  cis-148.41754.3-141.7171.612.600112.6
189Y32.8Very low34Very low216 Ų216143.1 Ų143.185%0.84779%0.792SS**  trans102.399.7171.2-66.8-71.1000116.7
190G29.8Very low33.8Very low79 Ų79145.7 Ų145.781%0.81480%0.796SS**PPolyproline II helixtrans-85.614117700000113.3
191S33Very low33.9Very low124 Ų124139.6 Ų139.687%0.86779%0.791SS**PPolyproline II helixtrans-78.6143.5168.4-168.20000110.7
192M33Very low34.2Very low177 Ų177139.5 Ų139.587%0.87280%0.797SS**PPolyproline II helixtrans-76.3131.9-176.4-65.7-175.5-175.300112.1
193N32.1Very low34.3Very low139 Ų139142.5 Ų142.574%0.74379%0.794SS**PPolyproline II helixtrans-74.5130.1178.7-174.83.7000111.3N195N193-N195 PolarHBondContact OD1-N 3.35Å
194M34.2Very low34.7Very low185 Ų185147 Ų14791%0.91180%0.797SS**  trans-118.364.4173.4-80.5-75.8-17700110.1M196M194-M196 PolarHBondContact O-N 3.13Å
195N35.3Very low34.9Very low123 Ų123147.2 Ų147.266%0.65880%0.797SS**  trans-84.8106.7172.9-179.317.7000110.6N193N193-N195 PolarHBondContact OD1-N 3.35Å
196M36.2Very low35.2Very low188 Ų188147.4 Ų147.493%0.92679%0.793SS**  trans-113.9119.4153.1-86.5-168.3165.100108.2M194M194-M196 PolarHBondContact O-N 3.13Å
197G34.1Very low35.6Very low65 Ų65148.3 Ų148.367%0.6780%0.797SS**  trans-68.8145.9-169.700000113.4
198M36.3Very low36.3Very low175 Ų175147 Ų14786%0.86280%0.796SS**  trans-71.2130.6165-63.4-175-176.400109.4M200M198-M200 HydrophobicContact SD-CE 4.47Å
199N34.3Very low37.1Very low162 Ų162141.6 Ų141.687%0.86678%0.779SS**  trans-126.4126.8159.3-160.6-5.2000108.1
200M43Very low37.8Very low167 Ų167133.4 Ų133.482%0.82376%0.756SS**  trans-93.2108.5-167.9-70.5-74-165.700110.5M198M198-M200 HydrophobicContact SD-CE 4.47Å
201A31.9Very low38.5Very low90 Ų90133.9 Ų133.974%0.74474%0.736SS**  trans-122.7126.6166.500000109.2H203A201-H203 PolarHBondContact O-N 3.38Å
202A42Very low39.2Very low102 Ų102133.6 Ų133.684%0.84372%0.72SS**  trans-84.8102.7-167.800000112.7
203H35.1Very low39.9Very low159 Ų159133.6 Ų133.674%0.73671%0.71SS**  trans-130.3143.2160.7-80.1-81.6000110.9A201 H205A201-H203 PolarHBondContact O-N 3.38Å; H203-H205 PolarHBondContact O-N 3.34Å
204H41.2Very low40.3Very low200 Ų200134 Ų13493%0.92670%0.702SS**  trans-70.286.9-172.3-78.1-109.4000112.8
205H36.9Very low40.9Very low161 Ų161130 Ų13075%0.74568%0.682SS**  trans-97.8123.1167.9-75.8-78.7000111.5H203 H207H203-H205 PolarHBondContact O-N 3.34Å; H205-H207 PolarHBondContact O-N 2.93Å
206H41.7Very low41.6Very low181 Ų181133.7 Ų133.784%0.83869%0.687SS**  trans-60110.2171.7-81.7-104.1000110.3
207H40.8Very low42Very low149 Ų149131.4 Ų131.469%0.6967%0.674SS**  trans-55.4137.1177.7-77.1-87.6000111.6H205 G209 A210H205-H207 PolarHBondContact O-N 2.93Å; H207-G209 PolarHBondContact O-N 2.7Å; H207-G209 VanDerWaalsContact O-N 3.09Å; H207-A210 VanDerWaalsContact O-CB 3.3Å; H207-A210 WeakPolarHBondContact O-CB 3.46Å; H207-A210 PolarHBondContact O-N 3.04Å
208P48.5Very low42.5Very low97 Ų97135.1 Ų135.163%0.6367%0.674SS**Hα-helixtrans-53.3-32.4169.8-27.735.3000113A210 F211 F212P208-A210 PolarHBondContact O-N 3.29Å; P208-F211 WeakPolarHBondContact O-CB 3.45Å; P208-F211 PolarHBondContact O-N 3.46Å; P208-F211 VanDerWaalsContact O-N 3.12Å; P208-F212 VanDerWaalsContact O-CD2 3.25Å; P208-F212 WeakPolarHBondContact O-CD2 3.46Å; P208-F212 PolarHBondContact O-N 3.16Å
209G46.8Very low42.9Very low34 Ų34131.2 Ų131.235%0.35166%0.663SS.*Hα-helixtrans-59.4-25174.100000114.7H207 R213H207-G209 PolarHBondContact O-N 2.7Å; H207-G209 VanDerWaalsContact O-N 3.09Å; G209-R213 WeakPolarHBondContact O-CG 3.47Å; G209-R213 PolarHBondContact O-N 2.95Å
210A48.7Very low43.5Very low44 Ų44130.4 Ų130.436%0.36466%0.657SS.*Hα-helixtrans-69.8-39.7174.300000111.7H207 P208 R213 Y214H207-A210 VanDerWaalsContact O-CB 3.3Å; H207-A210 WeakPolarHBondContact O-CB 3.46Å; H207-A210 PolarHBondContact O-N 3.04Å; P208-A210 PolarHBondContact O-N 3.29Å; A210-R213 PolarHBondContact O-N 2.8Å; A210-Y214 WeakPolarHBondContact O-CB 3.46Å; A210-Y214 PolarHBondContact O-N 3.49Å
211F44.5Very low43.7Very low90 Ų90131.5 Ų131.540%0.39566%0.657SS.*Hα-helixtrans-64.3-43.9173.9-179.6-99.5000111.5P208 R213 Y214 M215P208-F211 WeakPolarHBondContact O-CB 3.45Å; P208-F211 PolarHBondContact O-N 3.46Å; P208-F211 VanDerWaalsContact O-N 3.12Å; F211-R213 PolarHBondContact O-N 3.2Å; F211-Y214 PolarHBondContact O-N 3.31Å; F211-M215 HydrophobicContact CD1-CG 4.31Å; F211-M215 HydrophobicContact CE1-CG 3.93Å; F211-M215 HydrophobicContact CE2-CG 4.16Å; F211-M215 HydrophobicContact CZ-CG 3.84Å; F211-M215 HydrophobicContact CZ-SD 4.19Å; F211-M215 WeakPolarHBondContact O-CB 3.44Å; F211-M215 WeakPolarHBondContact O-CG 3.49Å; F211-M215 PolarHBondContact O-N 3.44Å
212F46.8Very low44.8Very low118 Ų118134.3 Ų134.352%0.51866%0.655SS.*Hα-helixtrans-65.5-33.3175.1-73.6-72.7000113.5P208 R216 P302P208-F212 VanDerWaalsContact O-CD2 3.25Å; P208-F212 WeakPolarHBondContact O-CD2 3.46Å; P208-F212 PolarHBondContact O-N 3.16Å; F212-R216 WeakPolarHBondContact O-CB 3.28Å; F212-R216 PolarHBondContact O-N 3.18Å; F212-P302 HydrophobicContact CE1-CG 3.82Å; F212-P302 HydrophobicContact CZ-CG 4.35Å
213R47.8Very low46.1Very low176 Ų176136.1 Ų136.166%0.66465%0.646SS**Hα-helixtrans-66.4-51.6169.7-76179.4-158.9153.84.7111G209 A210 F211 M215 R216 Q217G209-R213 WeakPolarHBondContact O-CG 3.47Å; G209-R213 PolarHBondContact O-N 2.95Å; A210-R213 PolarHBondContact O-N 2.8Å; F211-R213 PolarHBondContact O-N 3.2Å; R213-M215 PolarHBondContact O-N 2.91Å; R213-R216 CarbonylContact O-C 3.57Å; R213-R216 WeakPolarHBondContact O-CA 3.46Å; R213-R216 WeakPolarHBondContact O-CB 3.18Å; R213-R216 PolarHBondContact O-N 3.14Å; R213-Q217 WeakPolarHBondContact O-CB 3.31Å; R213-Q217 PolarHBondContact O-N 2.64Å; R213-Q217 PolarHBondContact O-OE1 2.75Å
214Y39.8Very low48.1Very low148 Ų148130 Ų13058%0.5862%0.619SS**Hα-helixtrans-57.3-45.6-178.2-168.8-97.2000112.5A210 F211 R216 Q217 Q218A210-Y214 WeakPolarHBondContact O-CB 3.46Å; A210-Y214 PolarHBondContact O-N 3.49Å; F211-Y214 PolarHBondContact O-N 3.31Å; Y214-R216 PolarHBondContact O-N 2.98Å; Y214-Q217 WeakPolarHBondContact O-CB 3.34Å; Y214-Q217 PolarHBondContact O-N 3.45Å; Y214-Q218 PolarHBondContact OH-NE2 2.93Å
215M46.9Very low49.9Very low101 Ų101124.4 Ų124.450%0.49859%0.594SS.*Hα-helixtrans-65.1-22.3174-71.5-73.8-71.200113.8F211 R213 V311F211-M215 HydrophobicContact CD1-CG 4.31Å; F211-M215 HydrophobicContact CE1-CG 3.93Å; F211-M215 HydrophobicContact CE2-CG 4.16Å; F211-M215 HydrophobicContact CZ-CG 3.84Å; F211-M215 HydrophobicContact CZ-SD 4.19Å; F211-M215 WeakPolarHBondContact O-CB 3.44Å; F211-M215 WeakPolarHBondContact O-CG 3.49Å; F211-M215 PolarHBondContact O-N 3.44Å; R213-M215 PolarHBondContact O-N 2.91Å; M215-V311 HydrophobicContact CE-CG1 4.15Å
216R50.8Low52.1Low200 Ų200116.7 Ų116.776%0.75556%0.559SS**Hα-helixtrans-89.4-18.9171.7-170.4-172.2-73.5-153.8-2.5112.2F212 R213 Y214 C219F212-R216 WeakPolarHBondContact O-CB 3.28Å; F212-R216 PolarHBondContact O-N 3.18Å; R213-R216 CarbonylContact O-C 3.57Å; R213-R216 WeakPolarHBondContact O-CA 3.46Å; R213-R216 WeakPolarHBondContact O-CB 3.18Å; R213-R216 PolarHBondContact O-N 3.14Å; Y214-R216 PolarHBondContact O-N 2.98Å; R216-C219 PolarHBondContact O-SG 3.36Å
217Q44.1Very low54Low141 Ų141111.4 Ų111.466%0.65953%0.533SS*.Hα-helixtrans-79.8-28-173.4-125.872.372.100113.1R213 Y214 C219R213-Q217 WeakPolarHBondContact O-CB 3.31Å; R213-Q217 PolarHBondContact O-N 2.64Å; R213-Q217 PolarHBondContact O-OE1 2.75Å; Y214-Q217 WeakPolarHBondContact O-CB 3.34Å; Y214-Q217 PolarHBondContact O-N 3.45Å; Q217-C219 VanDerWaalsContact C-N 3.27Å; Q217-C219 PolarHBondContact O-N 2.94Å
218Q45.4Very low55.8Low143 Ų143104.4 Ų104.467%0.66850%0.501SS*.THydrogen-bonded Turntrans-90.831.7178.1-63.4-158.5-0.500113.9Y214 I220Y214-Q218 PolarHBondContact OH-NE2 2.93Å; Q218-I220 VanDerWaalsContact C-N 3.29Å; Q218-I220 PolarHBondContact O-N 3.47Å
219C44.4Very low57.2Low93 Ų93101.4 Ų101.463%0.62848%0.479SS*.  trans-70.787.3163.7-680000110R216 Q217 K221R216-C219 PolarHBondContact O-SG 3.36Å; Q217-C219 VanDerWaalsContact C-N 3.27Å; Q217-C219 PolarHBondContact O-N 2.94Å; C219-K221 PolarHBondContact O-N 3.14Å
220I46.8Very low58.2Low145 Ų145102.4 Ų102.474%0.74448%0.477SS*.  trans-48.1130.5139-65.1162.3000105.5Q218 Q222Q218-I220 VanDerWaalsContact C-N 3.29Å; Q218-I220 PolarHBondContact O-N 3.47Å; I220-Q222 PolarHBondContact O-N 3.19Å
221K46.4Very low58.9Low189 Ų189103.5 Ų103.582%0.82248%0.48SS*.  trans-68.378.6-178.8-67.9-177.1179.9-179.80110.3C219 E223C219-K221 PolarHBondContact O-N 3.14Å; K221-E223 PolarHBondContact O-N 3.32Å; K221-E223 VanDerWaalsContact O-N 3.13Å
222Q54.5Low59.5Low150 Ų150107.4 Ų107.470%0.70150%0.499SS*.  trans-71.8100.6166.5-69-170.1-30.100107I220 L224I220-Q222 PolarHBondContact O-N 3.19Å; Q222-L224 WeakPolarHBondContact O-CG 3.41Å; Q222-L224 PolarHBondContact O-N 2.95Å
223E69.8Low59.7Low139 Ų139104.1 Ų104.165%0.6549%0.486SS*.  trans-68.1112175.5-62.1-172.5160.900108.7K221 I225 T244K221-E223 PolarHBondContact O-N 3.32Å; K221-E223 VanDerWaalsContact O-N 3.13Å; E223-I225 PolarHBondContact O-N 3.47Å; E223-I225 VanDerWaalsContact O-N 3.16Å; E223-T244 HydrophobicContact CB-CG2 4.32Å
224L76.8Confident60Low32 Ų32101.6 Ų101.617%0.16849%0.485CS..EExtended strand (participates in β ladder)trans-86.395.7-172-64.1176.2000109.1Q222 F245 M248 L251Q222-L224 WeakPolarHBondContact O-CG 3.41Å; Q222-L224 PolarHBondContact O-N 2.95Å; L224-F245 HydrophobicContact CB-CB 4.35Å; L224-F245 PolarHBondContact N-O 3.3Å; L224-F245 VanDerWaalsContact N-O 3.14Å; L224-F245 WeakPolarHBondContact O-CD2 3.27Å; L224-F245 PolarHBondContact O-N 2.85Å; L224-M248 VanDerWaalsContact CD1-CA 3.42Å; L224-M248 HydrophobicContact CD1-CB 3.79Å; L224-M248 HydrophobicContact CD1-CE 3.54Å; L224-M248 HydrophobicContact CD1-CG 4.42Å; L224-M248 HydrophobicContact CD1-SD 3.85Å; L224-M248 HydrophobicContact CD2-CE 3.61Å; L224-M248 HydrophobicContact CG-CE 4.21Å; L224-L251 HydrophobicContact CB-CD2 3.91Å
225I80.7Confident60.7Low81 Ų81100 Ų10042%0.41550%0.495SS..EExtended strand (participates in β ladder)trans-79.6126.5-178.8-61.3161.5000109.8E223 K227 T244E223-I225 PolarHBondContact O-N 3.47Å; E223-I225 VanDerWaalsContact O-N 3.16Å; I225-K227 HydrophobicContact CG2-CG 4.33Å; I225-T244 HydrophobicContact CG1-CG2 3.75Å
226C82.1Confident60.8Low0 Ų098.8 Ų98.80%049%0.49CS..  trans-71.7130.6164.1-178.70000109.9C241 N242 K243 F245 L251 H254C226-C241 CarbonylContact C-O 3.4Å; C226-C241 WeakPolarHBondContact CB-O 3.37Å; C226-C241 CarbonylContact O-C 3.19Å; C226-N242 WeakPolarHBondContact O-CA 3.18Å; C226-K243 PolarHBondContact N-O 2.9Å; C226-F245 HydrophobicContact CB-CE2 4.12Å; C226-L251 HydrophobicContact CB-CD1 3.52Å; C226-H254 PolarHBondContact SG-NE2 3.29Å
227K81.3Confident60.8Low69 Ų6993.6 Ų93.630%0.348%0.483SS..  trans-119.141.2175.5-72.5176.4149.7-122.90111.1I225 W272 E273 D274I225-K227 HydrophobicContact CG2-CG 4.33Å; K227-W272 HydrophobicContact CB-CD2 4.34Å; K227-W272 HydrophobicContact CB-CZ2 3.84Å; K227-W272 HydrophobicContact CG-CZ2 4.49Å; K227-E273 HydrophobicContact CB-CB 4.27Å; K227-E273 WeakPolarHBondContact CD-OE2 3.31Å; K227-E273 VanDerWaalsContact CE-OE2 3.31Å; K227-E273 WeakPolarHBondContact CE-OE2 3.29Å; K227-E273 IonicContact NZ-OE1 3.99Å; K227-E273 IonicContact NZ-OE2 3.08Å; K227-E273 PolarHBondContact NZ-OE2 2.95Å; K227-E273 PolarHBondContact O-N 3.35Å; K227-E273 VanDerWaalsContact O-N 3.17Å; K227-D274 IonicContact NZ-OD2 3.23Å
228W79.8Confident61.3Low2 Ų295.6 Ų95.61%0.00849%0.489CS..BIsolated β-bridgetrans-80.7134.9175.6-162.9-83000110.7C240 C241 V255 H259 V260 I269 F271 W272 L288 I292W228-C240 CarbonylContact O-C 3.49Å; W228-C240 VanDerWaalsContact O-CA 3.25Å; W228-C240 WeakPolarHBondContact O-CA 3.44Å; W228-C241 PolarHBondContact O-N 3.3Å; W228-V255 HydrophobicContact CD2-CG1 4.34Å; W228-V255 HydrophobicContact CE3-CG1 3.56Å; W228-V255 HydrophobicContact CH2-CG1 4.48Å; W228-V255 HydrophobicContact CZ3-CG1 3.65Å; W228-H259 AromaticContact CD1-CE1 3.95Å; W228-H259 AromaticContact CD1-CG 3.42Å; W228-H259 VanDerWaalsContact CD1-CG 3.42Å; W228-H259 AromaticContact CD1-ND1 3.31Å; W228-H259 VanDerWaalsContact CD1-ND1 3.31Å; W228-H259 HydrophobicContact CD2-CB 3.78Å; W228-H259 HydrophobicContact CE3-CB 4.49Å; W228-H259 HydrophobicContact CG-CB 3.83Å; W228-H259 AromaticContact CG-CD2 3.86Å; W228-H259 AromaticContact CG-CG 3.56Å; W228-H259 AromaticContact CG-ND1 3.82Å; W228-H259 HydrophobicContact CZ2-CB 4.17Å; W228-H259 AromaticContact NE1-CG 3.86Å; W228-H259 AromaticContact NE1-ND1 3.92Å; W228-V260 HydrophobicContact CH2-CG2 4.09Å; W228-I269 VanDerWaalsContact CH2-O 3.31Å; W228-I269 WeakPolarHBondContact CH2-O 3.27Å; W228-I269 WeakPolarHBondContact CZ2-O 3.37Å; W228-F271 HydrophobicContact CZ2-CB 4.24Å; W228-F271 AromaticContact CZ2-CD2 3.86Å; W228-F271 HydrophobicContact CZ2-CD2 3.86Å; W228-F271 AromaticContact NE1-CD2 3.98Å; W228-W272 HydrophobicContact CE3-CE3 4.25Å; W228-L288 HydrophobicContact CH2-CD1 4.39Å; W228-L288 HydrophobicContact CH2-CD2 4.24Å; W228-I292 HydrophobicContact CZ3-CD1 4.02Å; W228-I292 HydrophobicContact CZ3-CG1 4.15Å
229I77.9Confident62Low35 Ų3594 Ų9418%0.17948%0.48CS..BIsolated β-bridgetrans-102.9123.2174.8-58.3173.8000107.7C240 F271 E273I229-C240 HydrophobicContact CG1-CB 4.44Å; I229-F271 HydrophobicContact CB-CB 4.48Å; I229-F271 PolarHBondContact N-O 3.08Å; I229-F271 WeakPolarHBondContact O-CB 3.39Å; I229-E273 HydrophobicContact CD1-CB 4.32Å
230D67.8Low63.2Low55 Ų5591 Ų9129%0.29446%0.46SS..PPolyproline II helixtrans-77131.3-178.9-69.3-48.7000111.4E232 Q233 H259D230-E232 VanDerWaalsContact C-N 3.25Å; D230-E232 PolarHBondContact O-N 3.12Å; D230-Q233 PolarHBondContact O-N 3.34Å; D230-H259 IonicContact OD1-CE1 3.68Å; D230-H259 PolarHBondContact OD1-CE1 2.88Å; D230-H259 VanDerWaalsContact OD1-CE1 3.23Å; D230-H259 IonicContact OD1-CG 2.95Å; D230-H259 IonicContact OD1-ND1 2.66Å; D230-H259 PolarHBondContact OD1-ND1 2.57Å; D230-H259 IonicContact OD2-CE1 3.31Å
231P61.7Low64.5Low67 Ų6785 Ų8544%0.43543%0.431SS..G310 helixtrans-65.2-25.7-168.523.1-33.5000114.1Q233 F271P231-Q233 PolarHBondContact O-N 2.94Å; P231-F271 HydrophobicContact CB-CD2 4.39Å; P231-F271 HydrophobicContact CB-CE1 4.29Å; P231-F271 HydrophobicContact CB-CE2 3.88Å; P231-F271 HydrophobicContact CB-CZ 3.82Å; P231-F271 HydrophobicContact CG-CD2 4.35Å; P231-F271 HydrophobicContact CG-CE2 3.92Å; P231-F271 HydrophobicContact CG-CZ 4.35Å
232E57.9Low66.1Low172 Ų17280.7 Ų80.780%0.80442%0.416SS*.G310 helixtrans-69.4-9.5174.2-60.8-173.4162.900113.5D230D230-E232 VanDerWaalsContact C-N 3.25Å; D230-E232 PolarHBondContact O-N 3.12Å
233Q51.5Low67.4Low49 Ų4978 Ų7823%0.22940%0.402CS..G310 helixtrans-11418.7-176.2-52.9-60.1-54.100112.7D230 P231 S235 N236 K239D230-Q233 PolarHBondContact O-N 3.34Å; P231-Q233 PolarHBondContact O-N 2.94Å; Q233-S235 PolarHBondContact O-N 3.23Å; Q233-N236 CarbonylContact O-C 3.6Å; Q233-N236 PolarHBondContact O-N 3.05Å; Q233-K239 HydrophobicContact CB-CB 4.15Å; Q233-K239 HydrophobicContact CB-CD 4.21Å; Q233-K239 HydrophobicContact CG-CB 4.19Å; Q233-K239 HydrophobicContact CG-CD 3.67Å; Q233-K239 VanDerWaalsContact OE1-CD 3.24Å
234L53.2Low67.9Low123 Ų12375.2 Ų75.264%0.64440%0.395SS*.THydrogen-bonded Turntrans-57.4-20.1176.2-110.874.5000114.1
235S54.2Low68.1Low113 Ų11375.4 Ų75.479%0.7940%0.395SS*.THydrogen-bonded Turntrans-78.4-13.8173.155.40000114.3Q233Q233-S235 PolarHBondContact O-N 3.23Å
236N49.2Very low67.8Low76 Ų7676.3 Ų76.341%0.40641%0.408SS..  trans-14886.3178.3-174.2-3.2000110.7Q233 K238 K239Q233-N236 CarbonylContact O-C 3.6Å; Q233-N236 PolarHBondContact O-N 3.05Å; N236-K238 PolarHBondContact O-N 2.9Å; N236-K239 PolarHBondContact O-N 2.87Å
237P52.4Low67.5Low91 Ų9179.2 Ų79.259%0.59143%0.426SS*.THydrogen-bonded Turntrans-674.1-170.726.8-35.8000115.4K239P237-K239 PolarHBondContact O-N 3.09Å
238K52.8Low67.1Low183 Ų18378 Ų7880%0.79642%0.422SS*.THydrogen-bonded Turntrans-75.1-7176.2-64.1-176.4177.4-1790114.1N236 C240N236-K238 PolarHBondContact O-N 2.9Å; K238-C240 PolarHBondContact O-N 3.29Å
239K60.3Low66.9Low110 Ų11084 Ų8448%0.47845%0.449SS..  trans-96.670.6174.4-72.2178.1-178.3175.60111.3Q233 N236 P237Q233-K239 HydrophobicContact CB-CB 4.15Å; Q233-K239 HydrophobicContact CB-CD 4.21Å; Q233-K239 HydrophobicContact CG-CB 4.19Å; Q233-K239 HydrophobicContact CG-CD 3.67Å; Q233-K239 VanDerWaalsContact OE1-CD 3.24Å; N236-K239 PolarHBondContact O-N 2.87Å; P237-K239 PolarHBondContact O-N 3.09Å
240C70Confident67.1Low30 Ų3085.4 Ų85.420%0.20346%0.455CS..BIsolated β-bridgetrans-91.2143.8161.544.70000110.3W228 I229 K238 N242W228-C240 CarbonylContact O-C 3.49Å; W228-C240 VanDerWaalsContact O-CA 3.25Å; W228-C240 WeakPolarHBondContact O-CA 3.44Å; I229-C240 HydrophobicContact CG1-CB 4.44Å; K238-C240 PolarHBondContact O-N 3.29Å; C240-N242 VanDerWaalsContact C-N 3.27Å; C240-N242 PolarHBondContact O-N 3.43Å; C240-N242 PolarHBondContact O-ND2 3.38Å; C240-N242 PolarHBondContact SG-ND2 3.49Å; C240-N242 PolarHBondContact SG-OD1 2.87Å
241C74.1Confident67.7Low19 Ų1982.9 Ų82.913%0.12844%0.442CS..  trans-79.471.7-176.5-170.60000111.4C226 W228 K243 H259C226-C241 CarbonylContact C-O 3.4Å; C226-C241 WeakPolarHBondContact CB-O 3.37Å; C226-C241 CarbonylContact O-C 3.19Å; W228-C241 PolarHBondContact O-N 3.3Å; C241-K243 PolarHBondContact O-N 2.64Å; C241-H259 WeakPolarHBondContact CB-CE1 3.36Å; C241-H259 WeakPolarHBondContact CB-NE2 3.41Å; C241-H259 PolarHBondContact SG-NE2 3.3Å
242N79.6Confident68.5Low98 Ų9880.1 Ų80.152%0.52442%0.424SS..  trans-69.135.1-174.1-63.4-52.7000115.3C226 C240 T244C226-N242 WeakPolarHBondContact O-CA 3.18Å; C240-N242 VanDerWaalsContact C-N 3.27Å; C240-N242 PolarHBondContact O-N 3.43Å; C240-N242 PolarHBondContact O-ND2 3.38Å; C240-N242 PolarHBondContact SG-ND2 3.49Å; C240-N242 PolarHBondContact SG-OD1 2.87Å; N242-T244 PolarHBondContact O-N 2.86Å
243K81.4Confident69.6Low93 Ų9374.9 Ų74.940%0.40440%0.404SS..  trans-67.9129.3174.9-63.7-177.7-170-175.60109.6C226 C241 F245 E258C226-K243 PolarHBondContact N-O 2.9Å; C241-K243 PolarHBondContact O-N 2.64Å; K243-F245 HydrophobicContact CB-CE2 3.56Å; K243-F245 HydrophobicContact CB-CZ 3.56Å; K243-F245 HydrophobicContact CD-CZ 4.24Å; K243-F245 WeakPolarHBondContact O-CD2 3.34Å; K243-F245 VanDerWaalsContact O-CE2 3.31Å; K243-F245 WeakPolarHBondContact O-CE2 3.3Å; K243-E258 IonicContact NZ-OE1 3.95Å; K243-E258 IonicContact NZ-OE2 2.64Å; K243-E258 PolarHBondContact NZ-OE2 3.17Å
244T80.7Confident71.1Confident82 Ų8273.2 Ų73.250%0.50340%0.396SS..EExtended strand (participates in β ladder)trans-90.714317443.30000111.1E223 I225 N242E223-T244 HydrophobicContact CB-CG2 4.32Å; I225-T244 HydrophobicContact CG1-CG2 3.75Å; N242-T244 PolarHBondContact O-N 2.86Å
245F81.6Confident72.4Confident36 Ų3667.3 Ų67.316%0.15837%0.365CS..EExtended strand (participates in β ladder)trans-129.3146.8-179.6-63.1-76.8000112.2L224 C226 K243 E250 L251 H254L224-F245 HydrophobicContact CB-CB 4.35Å; L224-F245 PolarHBondContact N-O 3.3Å; L224-F245 VanDerWaalsContact N-O 3.14Å; L224-F245 WeakPolarHBondContact O-CD2 3.27Å; L224-F245 PolarHBondContact O-N 2.85Å; C226-F245 HydrophobicContact CB-CE2 4.12Å; K243-F245 HydrophobicContact CB-CE2 3.56Å; K243-F245 HydrophobicContact CB-CZ 3.56Å; K243-F245 HydrophobicContact CD-CZ 4.24Å; K243-F245 WeakPolarHBondContact O-CD2 3.34Å; K243-F245 VanDerWaalsContact O-CE2 3.31Å; K243-F245 WeakPolarHBondContact O-CE2 3.3Å; F245-E250 HydrophobicContact CB-CB 4.04Å; F245-E250 HydrophobicContact CD1-CB 3.64Å; F245-E250 HydrophobicContact CG-CB 4.14Å; F245-L251 HydrophobicContact CB-CB 3.98Å; F245-L251 HydrophobicContact CD2-CB 3.73Å; F245-L251 HydrophobicContact CD2-CD1 3.65Å; F245-L251 HydrophobicContact CD2-CG 4.24Å; F245-L251 HydrophobicContact CE2-CD1 3.86Å; F245-L251 HydrophobicContact CG-CB 3.95Å; F245-H254 HydrophobicContact CE1-CB 3.84Å; F245-H254 HydrophobicContact CE2-CB 4.17Å; F245-H254 AromaticContact CE2-CD2 3.34Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.31Å; F245-H254 AromaticContact CE2-CG 3.87Å; F245-H254 HydrophobicContact CZ-CB 3.49Å; F245-H254 VanDerWaalsContact CZ-CB 3.49Å; F245-H254 AromaticContact CZ-CD2 3.28Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.33Å; F245-H254 AromaticContact CZ-CG 3.31Å
246S73.8Confident73.5Confident100 Ų10062.9 Ų62.970%0.69933%0.334SS*.SBendtrans-88.2-28.8-176.178.30000112.4E250S246-E250 WeakPolarHBondContact CA-OE2 3.25Å; S246-E250 WeakPolarHBondContact CB-OE2 3.24Å; S246-E250 PolarHBondContact N-OE2 3.43Å; S246-E250 PolarHBondContact OG-OE1 3.47Å; S246-E250 PolarHBondContact OG-OE2 3.39Å
247T77.1Confident74.9Confident60 Ų6064.1 Ų64.137%0.36834%0.344SS..SBendtrans-125.2152.2169.778.40000112.2H249 E250 L251T247-H249 PolarHBondContact O-N 3.21Å; T247-E250 VanDerWaalsContact CB-OE1 3.27Å; T247-E250 WeakPolarHBondContact CB-OE1 3.38Å; T247-E250 WeakPolarHBondContact CG2-OE1 3.03Å; T247-E250 PolarHBondContact N-OE1 3.36Å; T247-E250 PolarHBondContact N-OE2 3.33Å; T247-E250 PolarHBondContact O-N 3.28Å; T247-E250 VanDerWaalsContact O-N 3.14Å; T247-E250 PolarHBondContact OG1-N 3.49Å; T247-E250 PolarHBondContact OG1-OE1 3.18Å; T247-L251 PolarHBondContact O-N 2.81Å
248M71.4Confident76Confident43 Ų4365.1 Ų65.121%0.21234%0.341CS..Hα-helixtrans-62.4-23.5176.5-170.558.276.500113L224 L251 V252 T296 E298L224-M248 VanDerWaalsContact CD1-CA 3.42Å; L224-M248 HydrophobicContact CD1-CB 3.79Å; L224-M248 HydrophobicContact CD1-CE 3.54Å; L224-M248 HydrophobicContact CD1-CG 4.42Å; L224-M248 HydrophobicContact CD1-SD 3.85Å; L224-M248 HydrophobicContact CD2-CE 3.61Å; L224-M248 HydrophobicContact CG-CE 4.21Å; M248-L251 HydrophobicContact SD-CD2 4.3Å; M248-V252 WeakPolarHBondContact O-CG2 3.41Å; M248-V252 PolarHBondContact O-N 3.25Å; M248-T296 WeakPolarHBondContact CE-O 3.48Å; M248-T296 WeakPolarHBondContact SD-CB 3.32Å; M248-T296 HydrophobicContact SD-CG2 4.22Å; M248-T296 PolarHBondContact SD-OG1 3.44Å; M248-T296 VanDerWaalsContact SD-OG1 3.36Å; M248-E298 HydrophobicContact CB-CG 4.45Å; M248-E298 HydrophobicContact CG-CB 3.52Å; M248-E298 HydrophobicContact CG-CG 3.4Å; M248-E298 VanDerWaalsContact CG-CG 3.4Å; M248-E298 HydrophobicContact SD-CB 4.08Å
249H76.4Confident77.2Confident128 Ų12857.7 Ų57.759%0.59331%0.309SS*.Hα-helixtrans-69.5-44.8174.9-171.860.4000111.2T247 L251 V252 T253T247-H249 PolarHBondContact O-N 3.21Å; H249-L251 PolarHBondContact O-N 2.87Å; H249-V252 PolarHBondContact O-N 3.23Å; H249-T253 WeakPolarHBondContact O-CG2 3.38Å; H249-T253 PolarHBondContact O-N 3.27Å; H249-T253 PolarHBondContact O-OG1 3.01Å; H249-T253 VanDerWaalsContact O-OG1 3.1Å
250E80.8Confident77.8Confident65 Ų6552.6 Ų52.630%0.30429%0.287SS..Hα-helixtrans-59.3-45.5177-69.2136.2-133.300112.4F245 S246 T247 V252 T253 H254F245-E250 HydrophobicContact CB-CB 4.04Å; F245-E250 HydrophobicContact CD1-CB 3.64Å; F245-E250 HydrophobicContact CG-CB 4.14Å; S246-E250 WeakPolarHBondContact CA-OE2 3.25Å; S246-E250 WeakPolarHBondContact CB-OE2 3.24Å; S246-E250 PolarHBondContact N-OE2 3.43Å; S246-E250 PolarHBondContact OG-OE1 3.47Å; S246-E250 PolarHBondContact OG-OE2 3.39Å; T247-E250 VanDerWaalsContact CB-OE1 3.27Å; T247-E250 WeakPolarHBondContact CB-OE1 3.38Å; T247-E250 WeakPolarHBondContact CG2-OE1 3.03Å; T247-E250 PolarHBondContact N-OE1 3.36Å; T247-E250 PolarHBondContact N-OE2 3.33Å; T247-E250 PolarHBondContact O-N 3.28Å; T247-E250 VanDerWaalsContact O-N 3.14Å; T247-E250 PolarHBondContact OG1-N 3.49Å; T247-E250 PolarHBondContact OG1-OE1 3.18Å; E250-V252 VanDerWaalsContact C-N 3.34Å; E250-V252 PolarHBondContact O-N 3.39Å; E250-T253 WeakPolarHBondContact CA-OG1 3.28Å; E250-T253 PolarHBondContact O-N 3.42Å; E250-T253 PolarHBondContact O-OG1 3.06Å; E250-T253 VanDerWaalsContact O-OG1 3.06Å; E250-H254 VanDerWaalsContact O-CB 3.28Å; E250-H254 WeakPolarHBondContact O-CB 3.49Å; E250-H254 PolarHBondContact O-N 2.88Å
251L81.9Confident77.5Confident3 Ų352 Ų522%0.01629%0.286CS..Hα-helixtrans-59.5-46.2176.8171.856.9000111.2L224 C226 F245 T247 M248 H249 V255 T296L224-L251 HydrophobicContact CB-CD2 3.91Å; C226-L251 HydrophobicContact CB-CD1 3.52Å; F245-L251 HydrophobicContact CB-CB 3.98Å; F245-L251 HydrophobicContact CD2-CB 3.73Å; F245-L251 HydrophobicContact CD2-CD1 3.65Å; F245-L251 HydrophobicContact CD2-CG 4.24Å; F245-L251 HydrophobicContact CE2-CD1 3.86Å; F245-L251 HydrophobicContact CG-CB 3.95Å; T247-L251 PolarHBondContact O-N 2.81Å; M248-L251 HydrophobicContact SD-CD2 4.3Å; H249-L251 PolarHBondContact O-N 2.87Å; L251-V255 HydrophobicContact CD1-CG2 3.96Å; L251-V255 WeakPolarHBondContact O-CG2 3.09Å; L251-V255 PolarHBondContact O-N 3.1Å; L251-T296 HydrophobicContact CD2-CG2 3.56Å; L251-T296 HydrophobicContact CG-CG2 4.28Å
252V77.4Confident76.6Confident9 Ų953.1 Ų53.16%0.05530%0.3CS..Hα-helixtrans-72.9-33.2-177173.50000112M248 H249 E250 S256 V289M248-V252 WeakPolarHBondContact O-CG2 3.41Å; M248-V252 PolarHBondContact O-N 3.25Å; H249-V252 PolarHBondContact O-N 3.23Å; E250-V252 VanDerWaalsContact C-N 3.34Å; E250-V252 PolarHBondContact O-N 3.39Å; V252-S256 WeakPolarHBondContact O-CB 3.45Å; V252-S256 PolarHBondContact O-N 3.05Å; V252-S256 PolarHBondContact O-OG 3.18Å; V252-V289 HydrophobicContact CG1-CG1 3.94Å
253T80.7Confident75.4Confident61 Ų6154.4 Ų54.437%0.37431%0.314SS..Hα-helixtrans-70-44.6172.154.10000111.5H249 E250 V255 S256 V257H249-T253 WeakPolarHBondContact O-CG2 3.38Å; H249-T253 PolarHBondContact O-N 3.27Å; H249-T253 PolarHBondContact O-OG1 3.01Å; H249-T253 VanDerWaalsContact O-OG1 3.1Å; E250-T253 WeakPolarHBondContact CA-OG1 3.28Å; E250-T253 PolarHBondContact O-N 3.42Å; E250-T253 PolarHBondContact O-OG1 3.06Å; E250-T253 VanDerWaalsContact O-OG1 3.06Å; T253-V255 PolarHBondContact O-N 3.17Å; T253-S256 CarbonylContact O-C 3.6Å; T253-S256 PolarHBondContact O-N 3.05Å; T253-V257 WeakPolarHBondContact O-CB 3.48Å; T253-V257 WeakPolarHBondContact O-CG2 3.25Å; T253-V257 PolarHBondContact O-N 3.48Å
254H83.9Confident74.1Confident14 Ų1458.4 Ų58.47%0.06533%0.334CS..Hα-helixtrans-52.7-56173.3155.859.2000111.5C226 F245 E250 S256 V257 E258 H259C226-H254 PolarHBondContact SG-NE2 3.29Å; F245-H254 HydrophobicContact CE1-CB 3.84Å; F245-H254 HydrophobicContact CE2-CB 4.17Å; F245-H254 AromaticContact CE2-CD2 3.34Å; F245-H254 WeakPolarHBondContact CE2-CD2 3.31Å; F245-H254 AromaticContact CE2-CG 3.87Å; F245-H254 HydrophobicContact CZ-CB 3.49Å; F245-H254 VanDerWaalsContact CZ-CB 3.49Å; F245-H254 AromaticContact CZ-CD2 3.28Å; F245-H254 WeakPolarHBondContact CZ-CD2 3.33Å; F245-H254 AromaticContact CZ-CG 3.31Å; E250-H254 VanDerWaalsContact O-CB 3.28Å; E250-H254 WeakPolarHBondContact O-CB 3.49Å; E250-H254 PolarHBondContact O-N 2.88Å; H254-S256 VanDerWaalsContact C-N 3.29Å; H254-S256 PolarHBondContact O-N 2.75Å; H254-V257 PolarHBondContact O-N 3.44Å; H254-V257 VanDerWaalsContact O-N 3.15Å; H254-E258 IonicContact CE1-OE2 3.94Å; H254-E258 PolarHBondContact CE1-OE2 2.85Å; H254-E258 IonicContact ND1-OE2 3.92Å; H254-E258 PolarHBondContact ND1-OE2 3.23Å; H254-E258 PolarHBondContact O-N 2.97Å; H254-H259 AromaticContact CE1-CD2 3.62Å; H254-H259 AromaticContact CE1-NE2 3.28Å; H254-H259 PolarHBondContact CE1-NE2 2.94Å; H254-H259 VanDerWaalsContact CE1-NE2 3.28Å; H254-H259 AromaticContact NE2-CD2 3.59Å; H254-H259 AromaticContact NE2-NE2 3.33Å; H254-H259 PolarHBondContact NE2-NE2 3.24Å
255V79.6Confident73.2Confident0 Ų059.1 Ų59.10%033%0.332CS..Iπ-helixtrans-61.7-39.7179.8178.80000111.1W228 L251 T253 V257 H259 V260 W272 I292W228-V255 HydrophobicContact CD2-CG1 4.34Å; W228-V255 HydrophobicContact CE3-CG1 3.56Å; W228-V255 HydrophobicContact CH2-CG1 4.48Å; W228-V255 HydrophobicContact CZ3-CG1 3.65Å; L251-V255 HydrophobicContact CD1-CG2 3.96Å; L251-V255 WeakPolarHBondContact O-CG2 3.09Å; L251-V255 PolarHBondContact O-N 3.1Å; T253-V255 PolarHBondContact O-N 3.17Å; V255-V257 VanDerWaalsContact C-N 3.28Å; V255-V257 PolarHBondContact O-N 3.12Å; V255-H259 HydrophobicContact CG1-CB 4.39Å; V255-H259 PolarHBondContact O-N 2.95Å; V255-V260 HydrophobicContact CG1-CG2 4.26Å; V255-V260 WeakPolarHBondContact O-CG2 3.15Å; V255-V260 PolarHBondContact O-N 2.83Å; V255-W272 HydrophobicContact CG2-CZ3 4.49Å; V255-I292 HydrophobicContact CB-CD1 4.49Å; V255-I292 HydrophobicContact CG1-CD1 3.53Å; V255-I292 HydrophobicContact CG1-CG1 4.33Å
256S77.8Confident72Confident19 Ų1963 Ų6313%0.13336%0.359CS..Iπ-helixtrans-68.3-21.5179.4-61.20000114.5V252 T253 H254 K285 V289V252-S256 WeakPolarHBondContact O-CB 3.45Å; V252-S256 PolarHBondContact O-N 3.05Å; V252-S256 PolarHBondContact O-OG 3.18Å; T253-S256 CarbonylContact O-C 3.6Å; T253-S256 PolarHBondContact O-N 3.05Å; H254-S256 VanDerWaalsContact C-N 3.29Å; H254-S256 PolarHBondContact O-N 2.75Å; S256-K285 WeakPolarHBondContact O-CE 3.21Å; S256-K285 PolarHBondContact O-NZ 3.23Å; S256-V289 WeakPolarHBondContact OG-CG2 3.29Å
257V79.5Confident71.8Confident102 Ų10262.7 Ų62.762%0.61835%0.349SS*.Iπ-helixtrans-98.4-53.8179.7172.50000110.5T253 H254 V255T253-V257 WeakPolarHBondContact O-CB 3.48Å; T253-V257 WeakPolarHBondContact O-CG2 3.25Å; T253-V257 PolarHBondContact O-N 3.48Å; H254-V257 PolarHBondContact O-N 3.44Å; H254-V257 VanDerWaalsContact O-N 3.15Å; V255-V257 VanDerWaalsContact C-N 3.28Å; V255-V257 PolarHBondContact O-N 3.12Å
258E75.8Confident71.8Confident113 Ų11360.6 Ų60.653%0.52834%0.335SS..Iπ-helixtrans-86.8-35.7-165.5-55.9-154.8124.800113.4K243 H254K243-E258 IonicContact NZ-OE1 3.95Å; K243-E258 IonicContact NZ-OE2 2.64Å; K243-E258 PolarHBondContact NZ-OE2 3.17Å; H254-E258 IonicContact CE1-OE2 3.94Å; H254-E258 PolarHBondContact CE1-OE2 2.85Å; H254-E258 IonicContact ND1-OE2 3.92Å; H254-E258 PolarHBondContact ND1-OE2 3.23Å; H254-E258 PolarHBondContact O-N 2.97Å
259H76.4Confident72.1Confident27 Ų2760.7 Ų60.713%0.12534%0.336CS..Iπ-helixtrans-102-33.4-177.2-64.8-62.2000113.7W228 D230 C241 H254 V255W228-H259 AromaticContact CD1-CE1 3.95Å; W228-H259 AromaticContact CD1-CG 3.42Å; W228-H259 VanDerWaalsContact CD1-CG 3.42Å; W228-H259 AromaticContact CD1-ND1 3.31Å; W228-H259 VanDerWaalsContact CD1-ND1 3.31Å; W228-H259 HydrophobicContact CD2-CB 3.78Å; W228-H259 HydrophobicContact CE3-CB 4.49Å; W228-H259 HydrophobicContact CG-CB 3.83Å; W228-H259 AromaticContact CG-CD2 3.86Å; W228-H259 AromaticContact CG-CG 3.56Å; W228-H259 AromaticContact CG-ND1 3.82Å; W228-H259 HydrophobicContact CZ2-CB 4.17Å; W228-H259 AromaticContact NE1-CG 3.86Å; W228-H259 AromaticContact NE1-ND1 3.92Å; D230-H259 IonicContact OD1-CE1 3.68Å; D230-H259 PolarHBondContact OD1-CE1 2.88Å; D230-H259 VanDerWaalsContact OD1-CE1 3.23Å; D230-H259 IonicContact OD1-CG 2.95Å; D230-H259 IonicContact OD1-ND1 2.66Å; D230-H259 PolarHBondContact OD1-ND1 2.57Å; D230-H259 IonicContact OD2-CE1 3.31Å; C241-H259 WeakPolarHBondContact CB-CE1 3.36Å; C241-H259 WeakPolarHBondContact CB-NE2 3.41Å; C241-H259 PolarHBondContact SG-NE2 3.3Å; H254-H259 AromaticContact CE1-CD2 3.62Å; H254-H259 AromaticContact CE1-NE2 3.28Å; H254-H259 PolarHBondContact CE1-NE2 2.94Å; H254-H259 VanDerWaalsContact CE1-NE2 3.28Å; H254-H259 AromaticContact NE2-CD2 3.59Å; H254-H259 AromaticContact NE2-NE2 3.33Å; H254-H259 PolarHBondContact NE2-NE2 3.24Å; V255-H259 HydrophobicContact CG1-CB 4.39Å; V255-H259 PolarHBondContact O-N 2.95Å
260V72.9Confident72.4Confident3 Ų354.9 Ų54.92%0.01831%0.31CS..SBendtrans-87.3-9.1178.6-178.20000112.6W228 V255 K285 L288 I292W228-V260 HydrophobicContact CH2-CG2 4.09Å; V255-V260 HydrophobicContact CG1-CG2 4.26Å; V255-V260 WeakPolarHBondContact O-CG2 3.15Å; V255-V260 PolarHBondContact O-N 2.83Å; V260-K285 HydrophobicContact CG1-CD 3.98Å; V260-K285 HydrophobicContact CG1-CG 3.81Å; V260-L288 HydrophobicContact CB-CD2 4.38Å; V260-L288 HydrophobicContact CG1-CD2 3.82Å; V260-L288 HydrophobicContact CG2-CD2 3.62Å; V260-L288 HydrophobicContact CG2-CG 4.24Å; V260-I292 HydrophobicContact CG2-CD1 4.27Å
261G64.9Low72.1Confident17 Ų1754 Ų5418%0.17531%0.305CS..  trans65.2-17016900000116.2K285G261-K285 PolarHBondContact O-NZ 3.21Å
262G54.9Low72.1Confident42 Ų4254.8 Ų54.843%0.43331%0.308SS..SBendtrans-68.6176.6179.300000114.6E264G262-E264 PolarHBondContact O-N 2.96Å
263P53.5Low72Confident125 Ų12559 Ų5981%0.81233%0.327SS*.THydrogen-bonded Turntrans-68.7-11.7-177.729.1-35.5000114.6
264E54.9Low71.6Confident178 Ų17861.4 Ų61.483%0.83234%0.337SS*.THydrogen-bonded Turntrans-85.9-10.9-170.5-55.2-170.9148.600114.3G262 T266G262-E264 PolarHBondContact O-N 2.96Å; E264-T266 PolarHBondContact O-N 2.63Å
265Q61.4Low71.5Confident96 Ų9661.9 Ų61.945%0.44934%0.342SS..  trans-71.7110.4175-68.1-171.110.300111N267 H268Q265-N267 VanDerWaalsContact C-N 3.26Å; Q265-N267 PolarHBondContact O-N 3.34Å; Q265-H268 PolarHBondContact O-CE1 3.03Å; Q265-H268 PolarHBondContact O-ND1 2.93Å; Q265-H268 PolarHBondContact O-NE2 3.31Å
266T57.8Low71.4Confident119 Ų11967.9 Ų67.973%0.7338%0.384SS*.SBendtrans-70.4-17.3-178.355.70000114.6E264E264-T266 PolarHBondContact O-N 2.63Å
267N68.7Low71Confident93 Ų9371.4 Ų71.450%0.49740%0.395SS..SBendtrans-132.891.3-176.2-78.8-66.1000111.1Q265 I269 P281Q265-N267 VanDerWaalsContact C-N 3.26Å; Q265-N267 PolarHBondContact O-N 3.34Å; N267-I269 PolarHBondContact O-N 3.24Å; N267-P281 HydrophobicContact CB-CB 3.89Å; N267-P281 WeakPolarHBondContact OD1-CB 3.32Å
268H76.8Confident70Confident16 Ų1673.4 Ų73.47%0.07440%0.397CS..BIsolated β-bridgetrans-79.7109.1178.8-43.4-78.1000110.3Q265 F282 K285 L288Q265-H268 PolarHBondContact O-CE1 3.03Å; Q265-H268 PolarHBondContact O-ND1 2.93Å; Q265-H268 PolarHBondContact O-NE2 3.31Å; H268-F282 PolarHBondContact CD2-O 2.86Å; H268-F282 PolarHBondContact N-O 2.92Å; H268-F282 WeakPolarHBondContact O-CB 3.44Å; H268-F282 WeakPolarHBondContact O-CD2 3.46Å; H268-F282 PolarHBondContact O-N 3.2Å; H268-K285 PolarHBondContact CD2-N 2.83Å; H268-K285 PolarHBondContact NE2-N 3.13Å; H268-L288 HydrophobicContact CB-CB 4.2Å; H268-L288 HydrophobicContact CB-CD2 3.61Å
269I77.9Confident69.6Low44 Ų4470.9 Ų70.923%0.22639%0.392CS..  trans-99152.6-178.8-63.8171.1000110.3W228 N267 F271 S279 P281 L288W228-I269 VanDerWaalsContact CH2-O 3.31Å; W228-I269 WeakPolarHBondContact CH2-O 3.27Å; W228-I269 WeakPolarHBondContact CZ2-O 3.37Å; N267-I269 PolarHBondContact O-N 3.24Å; I269-F271 HydrophobicContact CB-CD2 4.41Å; I269-F271 HydrophobicContact CB-CE1 4.38Å; I269-F271 HydrophobicContact CB-CE2 3.71Å; I269-F271 HydrophobicContact CB-CZ 3.7Å; I269-F271 HydrophobicContact CD1-CZ 4.1Å; I269-F271 HydrophobicContact CG2-CD1 4Å; I269-F271 HydrophobicContact CG2-CD2 4.13Å; I269-F271 HydrophobicContact CG2-CE1 3.53Å; I269-F271 HydrophobicContact CG2-CE2 3.68Å; I269-F271 HydrophobicContact CG2-CG 4.28Å; I269-F271 HydrophobicContact CG2-CZ 3.35Å; I269-S279 WeakPolarHBondContact CG1-O 3.28Å; I269-S279 VanDerWaalsContact CG2-O 3.3Å; I269-S279 WeakPolarHBondContact CG2-O 3.14Å; I269-P281 HydrophobicContact CG1-CB 3.84Å; I269-L288 VanDerWaalsContact O-CD2 3.23Å; I269-L288 WeakPolarHBondContact O-CD2 3.35Å
270C82.1Confident69.7Low6 Ų674.9 Ų74.94%0.04141%0.409CS..  trans-100.5122.9169.1-166.80000109.7F282 L288C270-F282 HydrophobicContact CB-CE2 4.32Å; C270-L288 HydrophobicContact CB-CD1 3.55Å
271F75.9Confident70Confident46 Ų4677.6 Ų77.620%0.20243%0.427CS..  trans-114.944.3175.4-57.7-74.9000110.7W228 I229 P231 I269W228-F271 HydrophobicContact CZ2-CB 4.24Å; W228-F271 AromaticContact CZ2-CD2 3.86Å; W228-F271 HydrophobicContact CZ2-CD2 3.86Å; W228-F271 AromaticContact NE1-CD2 3.98Å; I229-F271 HydrophobicContact CB-CB 4.48Å; I229-F271 PolarHBondContact N-O 3.08Å; I229-F271 WeakPolarHBondContact O-CB 3.39Å; P231-F271 HydrophobicContact CB-CD2 4.39Å; P231-F271 HydrophobicContact CB-CE1 4.29Å; P231-F271 HydrophobicContact CB-CE2 3.88Å; P231-F271 HydrophobicContact CB-CZ 3.82Å; P231-F271 HydrophobicContact CG-CD2 4.35Å; P231-F271 HydrophobicContact CG-CE2 3.92Å; P231-F271 HydrophobicContact CG-CZ 4.35Å; I269-F271 HydrophobicContact CB-CD2 4.41Å; I269-F271 HydrophobicContact CB-CE1 4.38Å; I269-F271 HydrophobicContact CB-CE2 3.71Å; I269-F271 HydrophobicContact CB-CZ 3.7Å; I269-F271 HydrophobicContact CD1-CZ 4.1Å; I269-F271 HydrophobicContact CG2-CD1 4Å; I269-F271 HydrophobicContact CG2-CD2 4.13Å; I269-F271 HydrophobicContact CG2-CE1 3.53Å; I269-F271 HydrophobicContact CG2-CE2 3.68Å; I269-F271 HydrophobicContact CG2-CG 4.28Å; I269-F271 HydrophobicContact CG2-CZ 3.35Å
272W81Confident70.7Confident20 Ų2078.1 Ų78.18%0.07642%0.424CS..BIsolated β-bridgetrans-79.2136.1173.1-161.1-79.3000109.6K227 W228 V255 D274 C275 I292 H295 T296K227-W272 HydrophobicContact CB-CD2 4.34Å; K227-W272 HydrophobicContact CB-CZ2 3.84Å; K227-W272 HydrophobicContact CG-CZ2 4.49Å; W228-W272 HydrophobicContact CE3-CE3 4.25Å; V255-W272 HydrophobicContact CG2-CZ3 4.49Å; W272-D274 PolarHBondContact O-N 2.62Å; W272-C275 HydrophobicContact CB-CB 4.2Å; W272-C275 WeakPolarHBondContact O-CB 3.25Å; W272-C275 PolarHBondContact O-N 3.15Å; W272-I292 HydrophobicContact CZ3-CG2 4.44Å; W272-H295 AromaticContact CD1-CG 3.61Å; W272-H295 AromaticContact CD1-ND1 3.46Å; W272-H295 HydrophobicContact CD2-CB 3.77Å; W272-H295 AromaticContact CD2-CG 3.85Å; W272-H295 HydrophobicContact CE3-CB 4.38Å; W272-H295 HydrophobicContact CG-CB 4.03Å; W272-H295 AromaticContact CG-CD2 3.88Å; W272-H295 AromaticContact CG-CG 3.59Å; W272-H295 AromaticContact CG-ND1 3.8Å; W272-H295 HydrophobicContact CZ2-CB 4.03Å; W272-H295 AromaticContact NE1-CG 3.87Å; W272-H295 AromaticContact NE1-ND1 3.94Å; W272-T296 HydrophobicContact CH2-CG2 4.05Å
273E74.9Confident72Confident98 Ų9886 Ų8646%0.45845%0.446SS..THydrogen-bonded Turntrans-44.6-54.3-173.4-169.8176.1-169.200113.8K227 I229 C275K227-E273 HydrophobicContact CB-CB 4.27Å; K227-E273 WeakPolarHBondContact CD-OE2 3.31Å; K227-E273 VanDerWaalsContact CE-OE2 3.31Å; K227-E273 WeakPolarHBondContact CE-OE2 3.29Å; K227-E273 IonicContact NZ-OE1 3.99Å; K227-E273 IonicContact NZ-OE2 3.08Å; K227-E273 PolarHBondContact NZ-OE2 2.95Å; K227-E273 PolarHBondContact O-N 3.35Å; K227-E273 VanDerWaalsContact O-N 3.17Å; I229-E273 HydrophobicContact CD1-CB 4.32Å; E273-C275 PolarHBondContact O-N 2.66Å
274D72.9Confident73.3Confident111 Ų11181.3 Ų81.359%0.59442%0.419SS*.THydrogen-bonded Turntrans-92.430.3-179.8-54.5-72.9000114.1K227 W272 S276K227-D274 IonicContact NZ-OD2 3.23Å; W272-D274 PolarHBondContact O-N 2.62Å; D274-S276 PolarHBondContact O-N 3.02Å
275C81.8Confident74.5Confident25 Ų2576 Ų7617%0.16939%0.393CS..  trans-76.8106.3-174.6-161.80000113.8W272 E273 R277 H291W272-C275 HydrophobicContact CB-CB 4.2Å; W272-C275 WeakPolarHBondContact O-CB 3.25Å; W272-C275 PolarHBondContact O-N 3.15Å; E273-C275 PolarHBondContact O-N 2.66Å; C275-R277 PolarHBondContact O-N 2.93Å; C275-H291 PolarHBondContact SG-NE2 3.32Å; C275-H291 VanDerWaalsContact SG-NE2 3.4Å
276S76.8Confident75.3Confident126 Ų12677.9 Ų77.988%0.88140%0.397SS*.SBendtrans-68.219.1172.7-30.80000114.7D274D274-S276 PolarHBondContact O-N 3.02Å
277R70.2Confident76.5Confident93 Ų9377.1 Ų77.135%0.35138%0.383SS..SBendtrans-116.6115.5166.3-69.9176.857.290.6-1.5107.5C275 S279 K280 F282C275-R277 PolarHBondContact O-N 2.93Å; R277-S279 PolarHBondContact O-N 3.2Å; R277-K280 PolarHBondContact NH2-O 3.48Å; R277-F282 VanDerWaalsContact CZ-CZ 3.46Å
278E59.1Low77.2Confident143 Ų14372.8 Ų72.867%0.66836%0.36SS*.  trans-68.573.8-177.6-51.4127.3130.700111.9K280E278-K280 PolarHBondContact O-N 2.85Å; E278-K280 WeakPolarHBondContact OE2-CE 3.31Å; E278-K280 IonicContact OE2-NZ 2.73Å; E278-K280 PolarHBondContact OE2-NZ 3.04Å
279S67Low77.3Confident60 Ų6073.3 Ų73.342%0.4236%0.364SS..SBendtrans52.515.6-179.9-58.50000115.9I269 R277 P281I269-S279 WeakPolarHBondContact CG1-O 3.28Å; I269-S279 VanDerWaalsContact CG2-O 3.3Å; I269-S279 WeakPolarHBondContact CG2-O 3.14Å; R277-S279 PolarHBondContact O-N 3.2Å; S279-P281 WeakPolarHBondContact O-CD 3.38Å
280K77.5Confident77.6Confident111 Ų11173.5 Ų73.548%0.48337%0.366SS..  trans-68.4115.2-172.1-80.3160.9-178.5169.10111.3R277 E278R277-K280 PolarHBondContact NH2-O 3.48Å; E278-K280 PolarHBondContact O-N 2.85Å; E278-K280 WeakPolarHBondContact OE2-CE 3.31Å; E278-K280 IonicContact OE2-NZ 2.73Å; E278-K280 PolarHBondContact OE2-NZ 3.04Å
281P79.4Confident77.7Confident60 Ų6074.4 Ų74.439%0.3937%0.369SS..  trans-66151.6-168.424.6-34.4000113.7N267 I269 S279N267-P281 HydrophobicContact CB-CB 3.89Å; N267-P281 WeakPolarHBondContact OD1-CB 3.32Å; I269-P281 HydrophobicContact CG1-CB 3.84Å; S279-P281 WeakPolarHBondContact O-CD 3.38Å
282F81.2Confident77.9Confident28 Ų2872.2 Ų72.212%0.12336%0.36CS..BIsolated β-bridgetrans-98.1125.9172.4-68.6-88.6000109.9H268 C270 R277 A284 K287 L288 H291H268-F282 PolarHBondContact CD2-O 2.86Å; H268-F282 PolarHBondContact N-O 2.92Å; H268-F282 WeakPolarHBondContact O-CB 3.44Å; H268-F282 WeakPolarHBondContact O-CD2 3.46Å; H268-F282 PolarHBondContact O-N 3.2Å; C270-F282 HydrophobicContact CB-CE2 4.32Å; R277-F282 VanDerWaalsContact CZ-CZ 3.46Å; F282-A284 PolarHBondContact O-N 3.26Å; F282-K287 HydrophobicContact CB-CB 4.14Å; F282-K287 HydrophobicContact CD1-CB 3.73Å; F282-K287 HydrophobicContact CG-CB 4.31Å; F282-L288 HydrophobicContact CB-CB 4.17Å; F282-L288 HydrophobicContact CD2-CB 3.96Å; F282-L288 HydrophobicContact CD2-CD1 3.84Å; F282-L288 HydrophobicContact CD2-CG 4.42Å; F282-L288 HydrophobicContact CE2-CD1 3.88Å; F282-L288 HydrophobicContact CG-CB 4.11Å; F282-H291 HydrophobicContact CE1-CB 4Å; F282-H291 HydrophobicContact CE2-CB 4.32Å; F282-H291 AromaticContact CE2-CD2 3.32Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.33Å; F282-H291 HydrophobicContact CZ-CB 3.63Å; F282-H291 AromaticContact CZ-CD2 3.17Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.21Å; F282-H291 AromaticContact CZ-CG 3.46Å; F282-H291 VanDerWaalsContact CZ-CG 3.46Å; F282-H291 AromaticContact CZ-NE2 3.95Å
283K80.8Confident77.9Confident207 Ų20773 Ų7390%0.936%0.363SS*.SBendtrans-63.92.3179.9-58.5-167.7176-166.50115.8
284A82.2Confident78.3Confident28 Ų2873.6 Ų73.623%0.23137%0.373CS..SBendtrans-166.5139.8177.100000111.8F282 Y286 K287F282-A284 PolarHBondContact O-N 3.26Å; A284-Y286 VanDerWaalsContact C-N 3.29Å; A284-Y286 HydrophobicContact CB-CD1 3.62Å; A284-Y286 HydrophobicContact CB-CE1 3.52Å; A284-Y286 PolarHBondContact O-N 3.42Å; A284-Y286 VanDerWaalsContact O-N 3.17Å; A284-K287 HydrophobicContact CB-CG 4.35Å; A284-K287 WeakPolarHBondContact O-CB 3.04Å; A284-K287 PolarHBondContact O-N 2.74Å
285K78.8Confident78.7Confident65 Ų6570.7 Ų70.728%0.28336%0.356SS..Hα-helixtrans-49.3-45.7-176.9-176.7160.2-178.21690113.1S256 V260 G261 H268 K287 L288 V289S256-K285 WeakPolarHBondContact O-CE 3.21Å; S256-K285 PolarHBondContact O-NZ 3.23Å; V260-K285 HydrophobicContact CG1-CD 3.98Å; V260-K285 HydrophobicContact CG1-CG 3.81Å; G261-K285 PolarHBondContact O-NZ 3.21Å; H268-K285 PolarHBondContact CD2-N 2.83Å; H268-K285 PolarHBondContact NE2-N 3.13Å; K285-K287 PolarHBondContact O-N 2.89Å; K285-K287 VanDerWaalsContact O-N 3.17Å; K285-L288 PolarHBondContact O-N 2.84Å; K285-L288 VanDerWaalsContact O-N 3.09Å; K285-V289 HydrophobicContact CG-CG2 4.33Å; K285-V289 WeakPolarHBondContact O-CG2 3.11Å; K285-V289 PolarHBondContact O-N 3.4Å
286Y78.9Confident78.3Confident137 Ų13770.7 Ų70.754%0.53736%0.355SS..Hα-helixtrans-62.4-24.9-179.982.4-89.1000113.9A284 N290A284-Y286 VanDerWaalsContact C-N 3.29Å; A284-Y286 HydrophobicContact CB-CD1 3.62Å; A284-Y286 HydrophobicContact CB-CE1 3.52Å; A284-Y286 PolarHBondContact O-N 3.42Å; A284-Y286 VanDerWaalsContact O-N 3.17Å; Y286-N290 WeakPolarHBondContact O-CB 3.35Å; Y286-N290 PolarHBondContact O-N 3.35Å; Y286-N290 PolarHBondContact O-ND2 3.34Å
287K83.6Confident78.3Confident103 Ų10366.6 Ų66.645%0.44833%0.333SS..Hα-helixtrans-72.9-40.4174.9-62.4-65.8-161.5-1550111.1F282 A284 K285 N290 H291F282-K287 HydrophobicContact CB-CB 4.14Å; F282-K287 HydrophobicContact CD1-CB 3.73Å; F282-K287 HydrophobicContact CG-CB 4.31Å; A284-K287 HydrophobicContact CB-CG 4.35Å; A284-K287 WeakPolarHBondContact O-CB 3.04Å; A284-K287 PolarHBondContact O-N 2.74Å; K285-K287 PolarHBondContact O-N 2.89Å; K285-K287 VanDerWaalsContact O-N 3.17Å; K287-N290 PolarHBondContact O-N 3.13Å; K287-H291 WeakPolarHBondContact O-CB 3.41Å; K287-H291 PolarHBondContact O-N 2.9Å
288L82.4Confident78.5Confident1 Ų163.2 Ų63.21%0.00532%0.321CS..Hα-helixtrans-65.6-45.5174175.456.8000111.2W228 V260 H268 I269 C270 F282 K285 N290 H291 I292W228-L288 HydrophobicContact CH2-CD1 4.39Å; W228-L288 HydrophobicContact CH2-CD2 4.24Å; V260-L288 HydrophobicContact CB-CD2 4.38Å; V260-L288 HydrophobicContact CG1-CD2 3.82Å; V260-L288 HydrophobicContact CG2-CD2 3.62Å; V260-L288 HydrophobicContact CG2-CG 4.24Å; H268-L288 HydrophobicContact CB-CB 4.2Å; H268-L288 HydrophobicContact CB-CD2 3.61Å; I269-L288 VanDerWaalsContact O-CD2 3.23Å; I269-L288 WeakPolarHBondContact O-CD2 3.35Å; C270-L288 HydrophobicContact CB-CD1 3.55Å; F282-L288 HydrophobicContact CB-CB 4.17Å; F282-L288 HydrophobicContact CD2-CB 3.96Å; F282-L288 HydrophobicContact CD2-CD1 3.84Å; F282-L288 HydrophobicContact CD2-CG 4.42Å; F282-L288 HydrophobicContact CE2-CD1 3.88Å; F282-L288 HydrophobicContact CG-CB 4.11Å; K285-L288 PolarHBondContact O-N 2.84Å; K285-L288 VanDerWaalsContact O-N 3.09Å; L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 3.06Å; L288-H291 CarbonylContact O-C 3.52Å; L288-H291 WeakPolarHBondContact O-CA 3.34Å; L288-H291 WeakPolarHBondContact O-CB 3.31Å; L288-H291 PolarHBondContact O-N 3.49Å; L288-I292 HydrophobicContact CD1-CD1 4.2Å; L288-I292 HydrophobicContact CD1-CG1 4.24Å; L288-I292 HydrophobicContact CG-CD1 4.02Å; L288-I292 WeakPolarHBondContact O-CG1 3.49Å; L288-I292 PolarHBondContact O-N 3.07Å
289V80.1Confident79.4Confident27 Ų2762 Ų6216%0.16431%0.313CS..Hα-helixtrans-58.2-42.4175.1178.20000111.6V252 S256 K285 H291 I292V252-V289 HydrophobicContact CG1-CG1 3.94Å; S256-V289 WeakPolarHBondContact OG-CG2 3.29Å; K285-V289 HydrophobicContact CG-CG2 4.33Å; K285-V289 WeakPolarHBondContact O-CG2 3.11Å; K285-V289 PolarHBondContact O-N 3.4Å; V289-H291 PolarHBondContact O-N 2.9Å; V289-I292 PolarHBondContact O-N 2.98Å
290N82.3Confident80Confident49 Ų4961.6 Ų61.626%0.26231%0.309SS..Hα-helixtrans-70.3-16.1173.7-81.7-81.3000114.3Y286 K287 L288Y286-N290 WeakPolarHBondContact O-CB 3.35Å; Y286-N290 PolarHBondContact O-N 3.35Å; Y286-N290 PolarHBondContact O-ND2 3.34Å; K287-N290 PolarHBondContact O-N 3.13Å; L288-N290 VanDerWaalsContact C-N 3.31Å; L288-N290 PolarHBondContact O-N 3.06Å
291H84.5Confident80.3Confident24 Ų2459.1 Ų59.111%0.11130%0.299CS..Hα-helixtrans-87.8-36.2174.7166.143.7000112.3C275 F282 K287 L288 V289 R293 V294 H295C275-H291 PolarHBondContact SG-NE2 3.32Å; C275-H291 VanDerWaalsContact SG-NE2 3.4Å; F282-H291 HydrophobicContact CE1-CB 4Å; F282-H291 HydrophobicContact CE2-CB 4.32Å; F282-H291 AromaticContact CE2-CD2 3.32Å; F282-H291 WeakPolarHBondContact CE2-CD2 3.33Å; F282-H291 HydrophobicContact CZ-CB 3.63Å; F282-H291 AromaticContact CZ-CD2 3.17Å; F282-H291 WeakPolarHBondContact CZ-CD2 3.21Å; F282-H291 AromaticContact CZ-CG 3.46Å; F282-H291 VanDerWaalsContact CZ-CG 3.46Å; F282-H291 AromaticContact CZ-NE2 3.95Å; K287-H291 WeakPolarHBondContact O-CB 3.41Å; K287-H291 PolarHBondContact O-N 2.9Å; L288-H291 CarbonylContact O-C 3.52Å; L288-H291 WeakPolarHBondContact O-CA 3.34Å; L288-H291 WeakPolarHBondContact O-CB 3.31Å; L288-H291 PolarHBondContact O-N 3.49Å; V289-H291 PolarHBondContact O-N 2.9Å; H291-R293 PolarHBondContact O-N 3.35Å; H291-R293 VanDerWaalsContact O-N 3.13Å; H291-V294 WeakPolarHBondContact O-CB 3.38Å; H291-V294 WeakPolarHBondContact O-CG2 3.17Å; H291-V294 PolarHBondContact O-N 3.31Å; H291-H295 AromaticContact CE1-NE2 3.35Å; H291-H295 PolarHBondContact CE1-NE2 3.45Å; H291-H295 AromaticContact NE2-NE2 3.71Å
292I80.7Confident80.5Confident0 Ų058 Ų580%029%0.291CS..Hα-helixtrans-54.3-33.7174.4-70.2155.4000111.1W228 V255 V260 W272 L288 V289 V294 H295 T296W228-I292 HydrophobicContact CZ3-CD1 4.02Å; W228-I292 HydrophobicContact CZ3-CG1 4.15Å; V255-I292 HydrophobicContact CB-CD1 4.49Å; V255-I292 HydrophobicContact CG1-CD1 3.53Å; V255-I292 HydrophobicContact CG1-CG1 4.33Å; V260-I292 HydrophobicContact CG2-CD1 4.27Å; W272-I292 HydrophobicContact CZ3-CG2 4.44Å; L288-I292 HydrophobicContact CD1-CD1 4.2Å; L288-I292 HydrophobicContact CD1-CG1 4.24Å; L288-I292 HydrophobicContact CG-CD1 4.02Å; L288-I292 WeakPolarHBondContact O-CG1 3.49Å; L288-I292 PolarHBondContact O-N 3.07Å; V289-I292 PolarHBondContact O-N 2.98Å; I292-V294 PolarHBondContact O-N 2.45Å; I292-H295 PolarHBondContact O-N 3Å; I292-T296 HydrophobicContact CG2-CG2 4.09Å; I292-T296 PolarHBondContact O-N 3.3Å; I292-T296 VanDerWaalsContact O-N 3.12Å
293R81.9Confident80.9Confident37 Ų3756.9 Ų56.914%0.1429%0.287CS..Hα-helixtrans-56.1-18.3171.2-60.2-171.8159.4156.9-5.9115.6H291 G297 E298 A313H291-R293 PolarHBondContact O-N 3.35Å; H291-R293 VanDerWaalsContact O-N 3.13Å; R293-G297 CarbonylContact O-C 3.56Å; R293-G297 VanDerWaalsContact O-CA 3.27Å; R293-G297 WeakPolarHBondContact O-CA 3.31Å; R293-G297 PolarHBondContact O-N 3.46Å; R293-E298 HydrophobicContact CB-CB 4.3Å; R293-E298 HydrophobicContact CG-CB 4.05Å; R293-E298 IonicContact CZ-OE1 3.04Å; R293-E298 IonicContact CZ-OE2 2.63Å; R293-E298 VanDerWaalsContact CZ-OE2 3.31Å; R293-E298 VanDerWaalsContact NE-CD 3.32Å; R293-E298 IonicContact NE-OE1 2.69Å; R293-E298 IonicContact NE-OE2 2.66Å; R293-E298 PolarHBondContact NE-OE2 2.66Å; R293-E298 IonicContact NH2-OE1 3.34Å; R293-E298 PolarHBondContact NH2-OE1 2.72Å; R293-E298 IonicContact NH2-OE2 3.71Å; R293-E298 PolarHBondContact NH2-OE2 3.03Å; R293-E298 VanDerWaalsContact NH2-OE2 3.08Å; R293-E298 PolarHBondContact O-N 3.47Å; R293-A313 WeakPolarHBondContact CD-O 3.41Å; R293-A313 PolarHBondContact NH1-O 3.15Å
294V82.4Confident81.2Confident110 Ų11051 Ų5167%0.66727%0.269SS*.Hα-helixtrans-75.3-36.7174.2-178.70000110.6H291 I292H291-V294 WeakPolarHBondContact O-CB 3.38Å; H291-V294 WeakPolarHBondContact O-CG2 3.17Å; H291-V294 PolarHBondContact O-N 3.31Å; I292-V294 PolarHBondContact O-N 2.45Å
295H80.8Confident81.4Confident51 Ų5153 Ų5324%0.23627%0.273CS..Hα-helixtrans-77.3-40.7176.7-60.8-68.1000111.8W272 H291 I292W272-H295 AromaticContact CD1-CG 3.61Å; W272-H295 AromaticContact CD1-ND1 3.46Å; W272-H295 HydrophobicContact CD2-CB 3.77Å; W272-H295 AromaticContact CD2-CG 3.85Å; W272-H295 HydrophobicContact CE3-CB 4.38Å; W272-H295 HydrophobicContact CG-CB 4.03Å; W272-H295 AromaticContact CG-CD2 3.88Å; W272-H295 AromaticContact CG-CG 3.59Å; W272-H295 AromaticContact CG-ND1 3.8Å; W272-H295 HydrophobicContact CZ2-CB 4.03Å; W272-H295 AromaticContact NE1-CG 3.87Å; W272-H295 AromaticContact NE1-ND1 3.94Å; H291-H295 AromaticContact CE1-NE2 3.35Å; H291-H295 PolarHBondContact CE1-NE2 3.45Å; H291-H295 AromaticContact NE2-NE2 3.71Å; I292-H295 PolarHBondContact O-N 3Å
296T74.6Confident81.7Confident24 Ų2455.9 Ų55.915%0.14730%0.299CS..Hα-helixtrans-87.3-16-177.573.10000113.9M248 L251 W272 I292 E298M248-T296 WeakPolarHBondContact CE-O 3.48Å; M248-T296 WeakPolarHBondContact SD-CB 3.32Å; M248-T296 HydrophobicContact SD-CG2 4.22Å; M248-T296 PolarHBondContact SD-OG1 3.44Å; M248-T296 VanDerWaalsContact SD-OG1 3.36Å; L251-T296 HydrophobicContact CD2-CG2 3.56Å; L251-T296 HydrophobicContact CG-CG2 4.28Å; W272-T296 HydrophobicContact CH2-CG2 4.05Å; I292-T296 HydrophobicContact CG2-CG2 4.09Å; I292-T296 PolarHBondContact O-N 3.3Å; I292-T296 VanDerWaalsContact O-N 3.12Å; T296-E298 VanDerWaalsContact C-N 3.28Å; T296-E298 PolarHBondContact O-N 2.16Å; T296-E298 PolarHBondContact OG1-N 3.05Å
297G76Confident81.9Confident41 Ų4153.7 Ų53.742%0.42332%0.318SS..  trans74.48.1-177.300000115.4R293 K299R293-G297 CarbonylContact O-C 3.56Å; R293-G297 VanDerWaalsContact O-CA 3.27Å; R293-G297 WeakPolarHBondContact O-CA 3.31Å; R293-G297 PolarHBondContact O-N 3.46Å; G297-K299 PolarHBondContact O-N 3.26Å
298E73.8Confident82.2Confident21 Ų2149.6 Ų49.610%0.09830%0.302CS..  trans-54.8125-176.7-169.5-163.5169.200112.6M248 R293 T296 P300 A313M248-E298 HydrophobicContact CB-CG 4.45Å; M248-E298 HydrophobicContact CG-CB 3.52Å; M248-E298 HydrophobicContact CG-CG 3.4Å; M248-E298 VanDerWaalsContact CG-CG 3.4Å; M248-E298 HydrophobicContact SD-CB 4.08Å; R293-E298 HydrophobicContact CB-CB 4.3Å; R293-E298 HydrophobicContact CG-CB 4.05Å; R293-E298 IonicContact CZ-OE1 3.04Å; R293-E298 IonicContact CZ-OE2 2.63Å; R293-E298 VanDerWaalsContact CZ-OE2 3.31Å; R293-E298 VanDerWaalsContact NE-CD 3.32Å; R293-E298 IonicContact NE-OE1 2.69Å; R293-E298 IonicContact NE-OE2 2.66Å; R293-E298 PolarHBondContact NE-OE2 2.66Å; R293-E298 IonicContact NH2-OE1 3.34Å; R293-E298 PolarHBondContact NH2-OE1 2.72Å; R293-E298 IonicContact NH2-OE2 3.71Å; R293-E298 PolarHBondContact NH2-OE2 3.03Å; R293-E298 VanDerWaalsContact NH2-OE2 3.08Å; R293-E298 PolarHBondContact O-N 3.47Å; T296-E298 VanDerWaalsContact C-N 3.28Å; T296-E298 PolarHBondContact O-N 2.16Å; T296-E298 PolarHBondContact OG1-N 3.05Å; E298-P300 HydrophobicContact CG-CB 4.2Å; E298-P300 HydrophobicContact CG-CG 4.09Å; E298-P300 VanDerWaalsContact OE1-CB 3.28Å; E298-P300 WeakPolarHBondContact OE1-CB 3.47Å; E298-P300 VanDerWaalsContact OE1-CG 3.29Å; E298-P300 WeakPolarHBondContact OE1-CG 3.2Å; E298-A313 WeakPolarHBondContact O-CA 3.23Å; E298-A313 VanDerWaalsContact O-CB 3.29Å; E298-A313 WeakPolarHBondContact O-CB 3.4Å
299K79.3Confident82.3Confident118 Ų11851.7 Ų51.751%0.51332%0.324SS..  trans-126.371.7176.2-67.9166.4-161.9167.50110.5G297 F301 V311 F312 A313G297-K299 PolarHBondContact O-N 3.26Å; K299-F301 PolarHBondContact O-N 3.49Å; K299-V311 HydrophobicContact CB-CB 3.86Å; K299-V311 HydrophobicContact CB-CG2 3.86Å; K299-V311 HydrophobicContact CD-CG2 3.79Å; K299-V311 HydrophobicContact CG-CG2 4.44Å; K299-F312 CarbonylContact C-O 3.58Å; K299-F312 VanDerWaalsContact CA-O 3.31Å; K299-F312 WeakPolarHBondContact CA-O 3.3Å; K299-A313 HydrophobicContact CG-CB 4.36Å
300P78.7Confident82.5Confident51 Ų5156.1 Ų56.133%0.33134%0.341SS..  trans-82.92.1-166.536.1-33.2000113.4E298 P302 F312E298-P300 HydrophobicContact CG-CB 4.2Å; E298-P300 HydrophobicContact CG-CG 4.09Å; E298-P300 VanDerWaalsContact OE1-CB 3.28Å; E298-P300 WeakPolarHBondContact OE1-CB 3.47Å; E298-P300 VanDerWaalsContact OE1-CG 3.29Å; E298-P300 WeakPolarHBondContact OE1-CG 3.2Å; P300-P302 VanDerWaalsContact C-CD 3.43Å; P300-P302 WeakPolarHBondContact O-CD 3.4Å; P300-F312 VanDerWaalsContact CD-O 3.31Å; P300-F312 WeakPolarHBondContact CD-O 3.47Å
301F83.7Confident82.7Confident60 Ų6056.3 Ų56.326%0.26334%0.343SS..EExtended strand (participates in β ladder)trans-110.181.5178.6-55.9-73000109.9K299 F312 S315 L318K299-F301 PolarHBondContact O-N 3.49Å; F301-F312 HydrophobicContact CB-CB 4.31Å; F301-F312 WeakPolarHBondContact CB-O 3.46Å; F301-F312 WeakPolarHBondContact CD2-O 3.45Å; F301-F312 PolarHBondContact N-O 3Å; F301-F312 PolarHBondContact O-N 3.49Å; F301-S315 VanDerWaalsContact CD2-N 3.26Å; F301-S315 VanDerWaalsContact CE2-N 3.28Å; F301-L318 HydrophobicContact CB-CB 4.03Å; F301-L318 HydrophobicContact CB-CD2 3.83Å
302P84.6Confident82.7Confident36 Ų3657.1 Ų57.123%0.23435%0.347CS..EExtended strand (participates in β ladder)trans-67.6149.4172.527.6-33000111.6F212 P300 V311 L318F212-P302 HydrophobicContact CE1-CG 3.82Å; F212-P302 HydrophobicContact CZ-CG 4.35Å; P300-P302 VanDerWaalsContact C-CD 3.43Å; P300-P302 WeakPolarHBondContact O-CD 3.4Å; P302-V311 HydrophobicContact CB-CG1 4.02Å; P302-L318 WeakPolarHBondContact O-CD2 3.44Å
303C89.8Confident82.8Confident4 Ų458.6 Ų58.63%0.02736%0.359CS..  trans-72.2125.8169.6-161.80000110.2F305 C308 K310 L318 H321 H325C303-F305 VanDerWaalsContact C-N 3.25Å; C303-F305 PolarHBondContact O-N 3.22Å; C303-C308 HydrophobicContact CB-CB 4.28Å; C303-K310 VanDerWaalsContact CB-O 3.25Å; C303-K310 WeakPolarHBondContact CB-O 3.46Å; C303-K310 PolarHBondContact N-O 3.46Å; C303-L318 HydrophobicContact CB-CD1 4.15Å; C303-H321 PolarHBondContact SG-CD2 3.39Å; C303-H321 PolarHBondContact SG-NE2 2.98Å; C303-H325 PolarHBondContact SG-NE2 3.27Å
304P86.8Confident82.9Confident83 Ų8361.9 Ų61.954%0.53937%0.371SS..  trans-80.2-4.9-179.834.1-37.1000113.4
305F85.9Confident83Confident72 Ų7260.1 Ų60.132%0.31636%0.364SS..SBendtrans-73124.6176.8-77.2-86000109.9C303 C308 K322 H325 T326C303-F305 VanDerWaalsContact C-N 3.25Å; C303-F305 PolarHBondContact O-N 3.22Å; F305-C308 HydrophobicContact CB-CB 4.12Å; F305-C308 WeakPolarHBondContact O-CB 3.45Å; F305-C308 PolarHBondContact O-N 2.93Å; F305-K322 HydrophobicContact CE2-CB 4.2Å; F305-K322 HydrophobicContact CE2-CG 4.08Å; F305-H325 HydrophobicContact CD1-CB 3.89Å; F305-H325 HydrophobicContact CD2-CB 3.88Å; F305-H325 AromaticContact CD2-CD2 3.46Å; F305-H325 VanDerWaalsContact CD2-CD2 3.46Å; F305-H325 WeakPolarHBondContact CD2-CD2 3.34Å; F305-H325 AromaticContact CD2-CG 3.64Å; F305-H325 HydrophobicContact CE1-CB 3.71Å; F305-H325 HydrophobicContact CE2-CB 3.69Å; F305-H325 AromaticContact CE2-CD2 3.93Å; F305-H325 AromaticContact CE2-CG 3.97Å; F305-H325 HydrophobicContact CG-CB 3.97Å; F305-H325 AromaticContact CG-CD2 3.85Å; F305-H325 AromaticContact CG-CG 3.67Å; F305-H325 AromaticContact CG-ND1 3.98Å; F305-H325 HydrophobicContact CZ-CB 3.61Å; F305-T326 HydrophobicContact CZ-CG2 4.22Å
306P84.3Confident83.3Confident125 Ų12561.8 Ų61.881%0.81237%0.371SS*.THydrogen-bonded Turntrans-60.9150.7177.926.9-34.4000110.8C308P306-C308 PolarHBondContact O-N 3.01Å
307G84.8Confident83.9Confident91 Ų9163.2 Ų63.294%0.93838%0.378SS*.THydrogen-bonded Turntrans71.1-13-174.600000115.5
308C88.8Confident84.6Confident17 Ų1762.2 Ų62.212%0.11536%0.363CS..THydrogen-bonded Turntrans-76-44-175.4-175.50000114.3C303 F305 P306 K310 H321 H325C303-C308 HydrophobicContact CB-CB 4.28Å; F305-C308 HydrophobicContact CB-CB 4.12Å; F305-C308 WeakPolarHBondContact O-CB 3.45Å; F305-C308 PolarHBondContact O-N 2.93Å; P306-C308 PolarHBondContact O-N 3.01Å; C308-K310 PolarHBondContact O-N 2.97Å; C308-H321 PolarHBondContact SG-NE2 3.27Å; C308-H325 WeakPolarHBondContact CB-CE1 3.1Å; C308-H325 PolarHBondContact SG-CE1 3.43Å; C308-H325 PolarHBondContact SG-NE2 3.16Å
309G84.6Confident85.4Confident45 Ų4567 Ų6746%0.46438%0.383SS..  trans65.1-14.9179.500000117.4
310K85.1Confident85.9Confident119 Ų11963.2 Ų63.252%0.51737%0.369SS..  trans-68.7134-171.9-68.1169-172.2174.40112.4C303 C308 F312C303-K310 VanDerWaalsContact CB-O 3.25Å; C303-K310 WeakPolarHBondContact CB-O 3.46Å; C303-K310 PolarHBondContact N-O 3.46Å; C308-K310 PolarHBondContact O-N 2.97Å; K310-F312 HydrophobicContact CB-CE2 3.73Å; K310-F312 HydrophobicContact CB-CZ 3.9Å
311V86.5Confident86.5Confident53 Ų5361.6 Ų61.632%0.32136%0.357SS..EExtended strand (participates in β ladder)trans-121.6141.1-178.6-68.80000111.7M215 K299 P302M215-V311 HydrophobicContact CE-CG1 4.15Å; K299-V311 HydrophobicContact CB-CB 3.86Å; K299-V311 HydrophobicContact CB-CG2 3.86Å; K299-V311 HydrophobicContact CD-CG2 3.79Å; K299-V311 HydrophobicContact CG-CG2 4.44Å; P302-V311 HydrophobicContact CB-CG1 4.02Å
312F84.4Confident86.8Confident42 Ų4262.9 Ų62.918%0.18436%0.362CS..EExtended strand (participates in β ladder)trans-127.8143.2-171.6-59.9-91.7000113K299 P300 F301 K310 N317 L318 H321K299-F312 CarbonylContact C-O 3.58Å; K299-F312 VanDerWaalsContact CA-O 3.31Å; K299-F312 WeakPolarHBondContact CA-O 3.3Å; P300-F312 VanDerWaalsContact CD-O 3.31Å; P300-F312 WeakPolarHBondContact CD-O 3.47Å; F301-F312 HydrophobicContact CB-CB 4.31Å; F301-F312 WeakPolarHBondContact CB-O 3.46Å; F301-F312 WeakPolarHBondContact CD2-O 3.45Å; F301-F312 PolarHBondContact N-O 3Å; F301-F312 PolarHBondContact O-N 3.49Å; K310-F312 HydrophobicContact CB-CE2 3.73Å; K310-F312 HydrophobicContact CB-CZ 3.9Å; F312-N317 HydrophobicContact CB-CB 4.31Å; F312-N317 HydrophobicContact CD1-CB 3.84Å; F312-N317 HydrophobicContact CG-CB 4.37Å; F312-L318 HydrophobicContact CB-CB 4.33Å; F312-L318 HydrophobicContact CD2-CB 4.13Å; F312-L318 HydrophobicContact CD2-CD1 4.15Å; F312-L318 HydrophobicContact CE2-CD1 4.4Å; F312-L318 HydrophobicContact CG-CB 4.35Å; F312-H321 HydrophobicContact CE1-CB 4.01Å; F312-H321 HydrophobicContact CE2-CB 3.99Å; F312-H321 AromaticContact CE2-CD2 3.2Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.45Å; F312-H321 AromaticContact CE2-CG 3.72Å; F312-H321 HydrophobicContact CZ-CB 3.55Å; F312-H321 AromaticContact CZ-CD2 3.3Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.45Å; F312-H321 AromaticContact CZ-CG 3.34Å
313A82.1Confident87.1Confident30 Ų3062.9 Ų62.925%0.24836%0.358CS..SBendtrans-77.1-16.1176.600000114.4R293 E298 K299R293-A313 WeakPolarHBondContact CD-O 3.41Å; R293-A313 PolarHBondContact NH1-O 3.15Å; E298-A313 WeakPolarHBondContact O-CA 3.23Å; E298-A313 VanDerWaalsContact O-CB 3.29Å; E298-A313 WeakPolarHBondContact O-CB 3.4Å; K299-A313 HydrophobicContact CG-CB 4.36Å
314R83.5Confident87.1Confident107 Ų10767.1 Ų67.140%0.40438%0.383SS..SBendtrans-135.4135.6-178.1-64.5-166.1-74.789.40.7111.3E316 N317 L318R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 PolarHBondContact O-N 3.23Å; R314-N317 PolarHBondContact NH1-OD1 2.8Å; R314-N317 PolarHBondContact NH2-ND2 2.73Å; R314-N317 PolarHBondContact NH2-OD1 2.87Å; R314-N317 WeakPolarHBondContact O-CB 3.45Å; R314-N317 PolarHBondContact O-N 2.63Å; R314-L318 PolarHBondContact O-N 3.27Å
315S84.6Confident87.1Confident72 Ų7267 Ų6750%0.50338%0.375SS..Hα-helixtrans-57.2-40.5179.7500000113F301 N317 L318 K319F301-S315 VanDerWaalsContact CD2-N 3.26Å; F301-S315 VanDerWaalsContact CE2-N 3.28Å; S315-N317 VanDerWaalsContact C-N 3.3Å; S315-N317 PolarHBondContact O-N 2.85Å; S315-L318 CarbonylContact O-C 3.33Å; S315-L318 WeakPolarHBondContact O-CB 3.38Å; S315-L318 PolarHBondContact O-N 2.8Å; S315-L318 VanDerWaalsContact O-N 3.15Å; S315-K319 PolarHBondContact O-N 3.25Å
316E86.9Confident87.2Confident86 Ų8667.1 Ų67.140%0.40238%0.382SS..Hα-helixtrans-64.8-32.5177-171.955.6-149.600112.5R314 K319 I320R314-E316 VanDerWaalsContact C-N 3.32Å; R314-E316 PolarHBondContact O-N 3.23Å; E316-K319 PolarHBondContact O-N 3.17Å; E316-K319 WeakPolarHBondContact OE2-CD 3.3Å; E316-I320 HydrophobicContact CG-CD1 4.11Å; E316-I320 WeakPolarHBondContact O-CB 3.45Å; E316-I320 VanDerWaalsContact O-CG1 3.31Å; E316-I320 WeakPolarHBondContact O-CG1 3.25Å; E316-I320 PolarHBondContact O-N 3.44Å
317N88.9Confident87.3Confident54 Ų5463.5 Ų63.529%0.28937%0.368SS..Hα-helixtrans-68.9-38.3174-71.26.2000111.1F312 R314 S315 H321F312-N317 HydrophobicContact CB-CB 4.31Å; F312-N317 HydrophobicContact CD1-CB 3.84Å; F312-N317 HydrophobicContact CG-CB 4.37Å; R314-N317 PolarHBondContact NH1-OD1 2.8Å; R314-N317 PolarHBondContact NH2-ND2 2.73Å; R314-N317 PolarHBondContact NH2-OD1 2.87Å; R314-N317 WeakPolarHBondContact O-CB 3.45Å; R314-N317 PolarHBondContact O-N 2.63Å; S315-N317 VanDerWaalsContact C-N 3.3Å; S315-N317 PolarHBondContact O-N 2.85Å; N317-H321 VanDerWaalsContact O-CB 3.27Å; N317-H321 WeakPolarHBondContact O-CB 3.49Å; N317-H321 PolarHBondContact O-N 2.89Å
318L90.3Very high87.6Confident21 Ų2163.7 Ų63.711%0.1134%0.344CS..Hα-helixtrans-63.2-42.5170.5170.961.3000111F301 P302 C303 F312 R314 S315 I320 H321 K322F301-L318 HydrophobicContact CB-CB 4.03Å; F301-L318 HydrophobicContact CB-CD2 3.83Å; P302-L318 WeakPolarHBondContact O-CD2 3.44Å; C303-L318 HydrophobicContact CB-CD1 4.15Å; F312-L318 HydrophobicContact CB-CB 4.33Å; F312-L318 HydrophobicContact CD2-CB 4.13Å; F312-L318 HydrophobicContact CD2-CD1 4.15Å; F312-L318 HydrophobicContact CE2-CD1 4.4Å; F312-L318 HydrophobicContact CG-CB 4.35Å; R314-L318 PolarHBondContact O-N 3.27Å; S315-L318 CarbonylContact O-C 3.33Å; S315-L318 WeakPolarHBondContact O-CB 3.38Å; S315-L318 PolarHBondContact O-N 2.8Å; S315-L318 VanDerWaalsContact O-N 3.15Å; L318-I320 PolarHBondContact O-N 2.97Å; L318-H321 CarbonylContact O-C 3.59Å; L318-H321 PolarHBondContact O-N 3.17Å; L318-H321 VanDerWaalsContact O-N 3.16Å; L318-K322 HydrophobicContact CD1-CG 4.16Å; L318-K322 WeakPolarHBondContact O-CG 3.42Å; L318-K322 PolarHBondContact O-N 2.92Å
319K89.9Confident87.6Confident120 Ų12068.1 Ų68.152%0.52236%0.361SS..Hα-helixtrans-60.7-45.5178.3-168.6-179.3-176.1179.90111.9S315 E316 H321 K322S315-K319 PolarHBondContact O-N 3.25Å; E316-K319 PolarHBondContact O-N 3.17Å; E316-K319 WeakPolarHBondContact OE2-CD 3.3Å; K319-H321 VanDerWaalsContact C-N 3.35Å; K319-K322 PolarHBondContact O-N 3.16Å
320I90.2Very high87.8Confident40 Ų4069 Ų6921%0.20536%0.359CS..Hα-helixtrans-63.5-40.9173.1-68.3164.4000110.8E316 L318 R323 N344E316-I320 HydrophobicContact CG-CD1 4.11Å; E316-I320 WeakPolarHBondContact O-CB 3.45Å; E316-I320 VanDerWaalsContact O-CG1 3.31Å; E316-I320 WeakPolarHBondContact O-CG1 3.25Å; E316-I320 PolarHBondContact O-N 3.44Å; L318-I320 PolarHBondContact O-N 2.97Å; I320-R323 WeakPolarHBondContact O-CB 3.4Å; I320-R323 PolarHBondContact O-N 3.09Å; I320-N344 HydrophobicContact CD1-CB 3.77Å; I320-N344 HydrophobicContact CG1-CB 3.94Å; I320-N344 HydrophobicContact CG2-CB 3.85Å
321H90.4Very high88.1Confident16 Ų1666.1 Ų66.17%0.07435%0.347CS..Hα-helixtrans-67.6-35.3178173.146000113.5C303 C308 F312 N317 L318 K319 R323 T324 H325C303-H321 PolarHBondContact SG-CD2 3.39Å; C303-H321 PolarHBondContact SG-NE2 2.98Å; C308-H321 PolarHBondContact SG-NE2 3.27Å; F312-H321 HydrophobicContact CE1-CB 4.01Å; F312-H321 HydrophobicContact CE2-CB 3.99Å; F312-H321 AromaticContact CE2-CD2 3.2Å; F312-H321 WeakPolarHBondContact CE2-CD2 3.45Å; F312-H321 AromaticContact CE2-CG 3.72Å; F312-H321 HydrophobicContact CZ-CB 3.55Å; F312-H321 AromaticContact CZ-CD2 3.3Å; F312-H321 WeakPolarHBondContact CZ-CD2 3.45Å; F312-H321 AromaticContact CZ-CG 3.34Å; N317-H321 VanDerWaalsContact O-CB 3.27Å; N317-H321 WeakPolarHBondContact O-CB 3.49Å; N317-H321 PolarHBondContact O-N 2.89Å; L318-H321 CarbonylContact O-C 3.59Å; L318-H321 PolarHBondContact O-N 3.17Å; L318-H321 VanDerWaalsContact O-N 3.16Å; K319-H321 VanDerWaalsContact C-N 3.35Å; H321-R323 PolarHBondContact O-N 2.88Å; H321-R323 VanDerWaalsContact O-N 3.11Å; H321-T324 PolarHBondContact CE1-OG1 3.48Å; H321-T324 VanDerWaalsContact CE1-OG1 3.31Å; H321-T324 PolarHBondContact ND1-OG1 3.46Å; H321-T324 PolarHBondContact O-N 3.24Å; H321-T324 PolarHBondContact O-OG1 2.77Å; H321-H325 AromaticContact CD2-NE2 3.26Å; H321-H325 PolarHBondContact CD2-NE2 3.04Å; H321-H325 VanDerWaalsContact CD2-NE2 3.26Å; H321-H325 AromaticContact CE1-CD2 3.76Å; H321-H325 AromaticContact CE1-NE2 2.45Å; H321-H325 PolarHBondContact CE1-NE2 3.31Å; H321-H325 AromaticContact CG-NE2 3.96Å; H321-H325 AromaticContact ND1-NE2 3.56Å; H321-H325 AromaticContact NE2-CD2 3.82Å; H321-H325 AromaticContact NE2-NE2 2.16Å; H321-H325 PolarHBondContact NE2-NE2 3.44Å
322K89.8Confident88.3Confident87 Ų8767.3 Ų67.338%0.37835%0.349SS..Hα-helixtrans-54.7-32.7174.9-74.9-174.5178.9-168.50111.9F305 L318 K319 T324 H325 T326F305-K322 HydrophobicContact CE2-CB 4.2Å; F305-K322 HydrophobicContact CE2-CG 4.08Å; L318-K322 HydrophobicContact CD1-CG 4.16Å; L318-K322 WeakPolarHBondContact O-CG 3.42Å; L318-K322 PolarHBondContact O-N 2.92Å; K319-K322 PolarHBondContact O-N 3.16Å; K322-T324 PolarHBondContact O-N 3.15Å; K322-H325 WeakPolarHBondContact O-CB 3.27Å; K322-H325 PolarHBondContact O-N 3.05Å; K322-T326 PolarHBondContact O-N 2.9Å
323R91.7Very high88.7Confident37 Ų3765.8 Ų65.814%0.1434%0.343CS..Hα-helixtrans-65.6-19.9174.3-59.9-170.7173.9125.43.2115I320 H321 H325 T326 G327 E328 A343I320-R323 WeakPolarHBondContact O-CB 3.4Å; I320-R323 PolarHBondContact O-N 3.09Å; H321-R323 PolarHBondContact O-N 2.88Å; H321-R323 VanDerWaalsContact O-N 3.11Å; R323-H325 PolarHBondContact O-N 3.39Å; R323-T326 WeakPolarHBondContact CA-OG1 3.37Å; R323-G327 CarbonylContact O-C 3.26Å; R323-G327 WeakPolarHBondContact O-CA 3.31Å; R323-G327 PolarHBondContact O-N 3.34Å; R323-E328 HydrophobicContact CB-CB 3.83Å; R323-E328 WeakPolarHBondContact CB-O 3.49Å; R323-E328 HydrophobicContact CG-CB 3.71Å; R323-E328 IonicContact NE-OE2 3.73Å; R323-E328 PolarHBondContact NE-OE2 3.3Å; R323-E328 PolarHBondContact O-N 3.17Å; R323-A343 HydrophobicContact CB-CB 4.09Å; R323-A343 WeakPolarHBondContact CD-O 3.38Å; R323-A343 PolarHBondContact NH1-O 3.48Å
324T88.9Confident89Confident92 Ų9270.8 Ų70.856%0.56436%0.362SS*.Hα-helixtrans-77.8-7.7171.776.40000112.6H321 K322H321-T324 PolarHBondContact CE1-OG1 3.48Å; H321-T324 VanDerWaalsContact CE1-OG1 3.31Å; H321-T324 PolarHBondContact ND1-OG1 3.46Å; H321-T324 PolarHBondContact O-N 3.24Å; H321-T324 PolarHBondContact O-OG1 2.77Å; K322-T324 PolarHBondContact O-N 3.15Å
325H88Confident89.2Confident80 Ų8070.9 Ų70.937%0.3737%0.365SS..Hα-helixtrans-100.6-34.5170.8-62.4-79.7000112C303 F305 C308 H321 K322 R323C303-H325 PolarHBondContact SG-NE2 3.27Å; F305-H325 HydrophobicContact CD1-CB 3.89Å; F305-H325 HydrophobicContact CD2-CB 3.88Å; F305-H325 AromaticContact CD2-CD2 3.46Å; F305-H325 VanDerWaalsContact CD2-CD2 3.46Å; F305-H325 WeakPolarHBondContact CD2-CD2 3.34Å; F305-H325 AromaticContact CD2-CG 3.64Å; F305-H325 HydrophobicContact CE1-CB 3.71Å; F305-H325 HydrophobicContact CE2-CB 3.69Å; F305-H325 AromaticContact CE2-CD2 3.93Å; F305-H325 AromaticContact CE2-CG 3.97Å; F305-H325 HydrophobicContact CG-CB 3.97Å; F305-H325 AromaticContact CG-CD2 3.85Å; F305-H325 AromaticContact CG-CG 3.67Å; F305-H325 AromaticContact CG-ND1 3.98Å; F305-H325 HydrophobicContact CZ-CB 3.61Å; C308-H325 WeakPolarHBondContact CB-CE1 3.1Å; C308-H325 PolarHBondContact SG-CE1 3.43Å; C308-H325 PolarHBondContact SG-NE2 3.16Å; H321-H325 AromaticContact CD2-NE2 3.26Å; H321-H325 PolarHBondContact CD2-NE2 3.04Å; H321-H325 VanDerWaalsContact CD2-NE2 3.26Å; H321-H325 AromaticContact CE1-CD2 3.76Å; H321-H325 AromaticContact CE1-NE2 2.45Å; H321-H325 PolarHBondContact CE1-NE2 3.31Å; H321-H325 AromaticContact CG-NE2 3.96Å; H321-H325 AromaticContact ND1-NE2 3.56Å; H321-H325 AromaticContact NE2-CD2 3.82Å; H321-H325 AromaticContact NE2-NE2 2.16Å; H321-H325 PolarHBondContact NE2-NE2 3.44Å; K322-H325 WeakPolarHBondContact O-CB 3.27Å; K322-H325 PolarHBondContact O-N 3.05Å; R323-H325 PolarHBondContact O-N 3.39Å
326T87.9Confident89.2Confident75 Ų7575.8 Ų75.846%0.4638%0.38SS..Hα-helixtrans-88.7-6.7177.160.50000114.2F305 K322 R323 E328F305-T326 HydrophobicContact CZ-CG2 4.22Å; K322-T326 PolarHBondContact O-N 2.9Å; R323-T326 WeakPolarHBondContact CA-OG1 3.37Å; T326-E328 WeakPolarHBondContact CB-OE1 3.43Å; T326-E328 PolarHBondContact O-N 3Å; T326-E328 VanDerWaalsContact OG1-CD 3.3Å; T326-E328 WeakPolarHBondContact OG1-CG 3.43Å; T326-E328 PolarHBondContact OG1-OE1 3.21Å
327G87.2Confident89Confident50 Ų5075.5 Ų75.552%0.51540%0.4SS..  trans73.7-1.9-176.400000115.1R323 K329R323-G327 CarbonylContact O-C 3.26Å; R323-G327 WeakPolarHBondContact O-CA 3.31Å; R323-G327 PolarHBondContact O-N 3.34Å; G327-K329 PolarHBondContact O-N 2.77Å; G327-K329 VanDerWaalsContact O-N 3.15Å
328E89.7Confident89Confident94 Ų9473.7 Ų73.744%0.43939%0.391SS..  trans-54.7113.2-175.8-83.6169.4-115.800113.5R323 T326 P330R323-E328 HydrophobicContact CB-CB 3.83Å; R323-E328 WeakPolarHBondContact CB-O 3.49Å; R323-E328 HydrophobicContact CG-CB 3.71Å; R323-E328 IonicContact NE-OE2 3.73Å; R323-E328 PolarHBondContact NE-OE2 3.3Å; R323-E328 PolarHBondContact O-N 3.17Å; T326-E328 WeakPolarHBondContact CB-OE1 3.43Å; T326-E328 PolarHBondContact O-N 3Å; T326-E328 VanDerWaalsContact OG1-CD 3.3Å; T326-E328 WeakPolarHBondContact OG1-CG 3.43Å; T326-E328 PolarHBondContact OG1-OE1 3.21Å; E328-P330 VanDerWaalsContact C-CD 3.41Å; E328-P330 VanDerWaalsContact O-CD 3.29Å; E328-P330 WeakPolarHBondContact O-CD 3.48Å
329K89.3Confident89Confident110 Ų11078.9 Ų78.948%0.47842%0.42SS..  trans-119.271.7173.1-67.1164.4-172.5170.80110.2G327 F331 R341 F342G327-K329 PolarHBondContact O-N 2.77Å; G327-K329 VanDerWaalsContact O-N 3.15Å; K329-F331 VanDerWaalsContact C-N 3.3Å; K329-F331 PolarHBondContact O-N 3.45Å; K329-R341 HydrophobicContact CB-CB 3.62Å; K329-R341 PolarHBondContact O-NE 3.21Å; K329-R341 PolarHBondContact O-NH2 3.01Å; K329-F342 CarbonylContact C-O 3.22Å; K329-F342 WeakPolarHBondContact CA-O 3.49Å
330P89Confident88.9Confident63 Ų6380.3 Ų80.341%0.40942%0.422SS..  trans-71.3-20.3-173.827.7-34.4000113.8E328 Q332E328-P330 VanDerWaalsContact C-CD 3.41Å; E328-P330 VanDerWaalsContact O-CD 3.29Å; E328-P330 WeakPolarHBondContact O-CD 3.48Å; P330-Q332 PolarHBondContact O-N 3.3Å
331F90.3Very high89Confident60 Ų6084.8 Ų84.826%0.26344%0.436SS..EExtended strand (participates in β ladder)trans-95.191.3-177.8-57-78.7000110.6K329 R341 F342 N344 R348K329-F331 VanDerWaalsContact C-N 3.3Å; K329-F331 PolarHBondContact O-N 3.45Å; F331-R341 WeakPolarHBondContact O-CA 3.46Å; F331-F342 HydrophobicContact CB-CB 4.33Å; F331-F342 PolarHBondContact N-O 2.5Å; F331-F342 VanDerWaalsContact N-O 3.11Å; F331-F342 PolarHBondContact O-N 2.68Å; F331-N344 VanDerWaalsContact CD2-CA 3.41Å; F331-R348 HydrophobicContact CB-CB 4.29Å
332Q91.3Very high89Confident77 Ų7785.8 Ų85.836%0.3644%0.44SS..EExtended strand (participates in β ladder)trans-72.9145.4169.1-172.6162.2-1500110.7P330 R341 R348P330-Q332 PolarHBondContact O-N 3.3Å; Q332-R341 HydrophobicContact CB-CG 4.01Å; Q332-R341 HydrophobicContact CG-CG 4.03Å; Q332-R348 WeakPolarHBondContact O-CD 3.47Å; Q332-R348 PolarHBondContact O-NH1 2.86Å
333C92.2Very high89Confident11 Ų1182.6 Ų82.67%0.07443%0.43CS..  trans-55.5145.2168.7175.70000111.4F335 C338 R340 M352 H355C333-F335 PolarHBondContact SG-N 2.82Å; C333-F335 VanDerWaalsContact SG-N 3.44Å; C333-C338 VanDerWaalsContact CB-O 3.31Å; C333-C338 WeakPolarHBondContact CB-O 3.45Å; C333-R340 VanDerWaalsContact CB-O 3.31Å; C333-R340 WeakPolarHBondContact CB-O 3.37Å; C333-R340 PolarHBondContact N-O 3.42Å; C333-M352 HydrophobicContact CB-CE 3.93Å; C333-M352 WeakPolarHBondContact SG-CE 3.25Å; C333-H355 PolarHBondContact SG-NE2 3.43Å
334E89.4Confident88.9Confident135 Ų13581.9 Ų81.963%0.63143%0.429SS*.SBendtrans-103.921.3-177.7-68.7159.9161.500111.8R348E334-R348 IonicContact OE1-CZ 3.21Å; E334-R348 IonicContact OE1-NH1 2.75Å; E334-R348 PolarHBondContact OE1-NH1 3.03Å; E334-R348 IonicContact OE1-NH2 2.81Å; E334-R348 PolarHBondContact OE1-NH2 3.45Å; E334-R348 IonicContact OE2-CZ 3.11Å; E334-R348 IonicContact OE2-NE 3.74Å; E334-R348 IonicContact OE2-NH1 3.5Å; E334-R348 PolarHBondContact OE2-NH1 3.11Å; E334-R348 IonicContact OE2-NH2 2.7Å; E334-R348 PolarHBondContact OE2-NH2 3.44Å
335F87Confident89Confident109 Ų10980.3 Ų80.348%0.47842%0.422SS..SBendtrans-110.2126.8176.9-175.1-90.8000109C333 C338 H355C333-F335 PolarHBondContact SG-N 2.82Å; C333-F335 VanDerWaalsContact SG-N 3.44Å; F335-C338 HydrophobicContact CB-CB 4.46Å; F335-C338 HydrophobicContact CD1-CB 4.14Å; F335-C338 WeakPolarHBondContact O-CB 3.41Å; F335-C338 PolarHBondContact O-N 3.5Å; F335-C338 VanDerWaalsContact O-N 3.16Å; F335-H355 VanDerWaalsContact CB-CD2 3.43Å; F335-H355 WeakPolarHBondContact CB-CD2 3.43Å; F335-H355 HydrophobicContact CD1-CB 4.4Å; F335-H355 AromaticContact CD1-CG 3.85Å; F335-H355 AromaticContact CD1-ND1 3.76Å; F335-H355 HydrophobicContact CD2-CB 3.7Å; F335-H355 AromaticContact CD2-CG 3.93Å; F335-H355 HydrophobicContact CE2-CB 3.91Å; F335-H355 HydrophobicContact CG-CB 3.97Å; F335-H355 AromaticContact CG-CD2 3.64Å; F335-H355 AromaticContact CG-CG 3.63Å; F335-H355 HydrophobicContact CZ-CB 4.35Å
336E84.3Confident89Confident174 Ų17480 Ų8081%0.81343%0.428SS*.THydrogen-bonded Turntrans-59.6137.6-177.6-63-55.3146.400111.8C338E336-C338 VanDerWaalsContact C-N 3.33Å
337G84.2Confident89Confident81 Ų8179.3 Ų79.384%0.83542%0.422SS*.THydrogen-bonded Turntrans74.813.9-174.200000115.3
338C88.4Confident89.2Confident15 Ų1579.2 Ų79.210%0.10141%0.406CS..  trans-127.289.5177.3179.10000113.3C333 F335 E336 R340 H351 H355C333-C338 VanDerWaalsContact CB-O 3.31Å; C333-C338 WeakPolarHBondContact CB-O 3.45Å; F335-C338 HydrophobicContact CB-CB 4.46Å; F335-C338 HydrophobicContact CD1-CB 4.14Å; F335-C338 WeakPolarHBondContact O-CB 3.41Å; F335-C338 PolarHBondContact O-N 3.5Å; F335-C338 VanDerWaalsContact O-N 3.16Å; E336-C338 VanDerWaalsContact C-N 3.33Å; C338-R340 PolarHBondContact O-N 3.04Å; C338-H351 PolarHBondContact SG-NE2 3.09Å; C338-H355 WeakPolarHBondContact CB-CE1 3.33Å; C338-H355 WeakPolarHBondContact CB-NE2 3.39Å; C338-H355 PolarHBondContact SG-CE1 2.68Å; C338-H355 PolarHBondContact SG-NE2 2.84Å
339D89.3Confident89.1Confident131 Ų13181.9 Ų81.970%0.70142%0.416SS*.  trans-7118.5-179.6-60.6-64.5000115.9R341D339-R341 WeakPolarHBondContact O-CG 3.5Å; D339-R341 PolarHBondContact O-N 2.47Å
340R88.8Confident88.8Confident150 Ų15081.6 Ų81.657%0.56642%0.415SS*.  trans-75117.2-172.6-141.5169.6-166149.22110.8C333 C338 F342 H351C333-R340 VanDerWaalsContact CB-O 3.31Å; C333-R340 WeakPolarHBondContact CB-O 3.37Å; C333-R340 PolarHBondContact N-O 3.42Å; C338-R340 PolarHBondContact O-N 3.04Å; R340-F342 HydrophobicContact CB-CE2 4.04Å; R340-F342 HydrophobicContact CB-CZ 4.25Å; R340-F342 HydrophobicContact CG-CE2 4.22Å; R340-F342 HydrophobicContact CG-CZ 3.97Å; R340-F342 VanDerWaalsContact O-CE2 3.28Å; R340-F342 WeakPolarHBondContact O-CE2 3.38Å; R340-H351 WeakPolarHBondContact CD-NE2 3.47Å
341R92.2Very high88.8Confident133 Ų13379.4 Ų79.450%0.50240%0.399SS..EExtended strand (participates in β ladder)trans-110.1143.9-176.6-57.1179.666.21464.4112.9K329 F331 Q332 D339K329-R341 HydrophobicContact CB-CB 3.62Å; K329-R341 PolarHBondContact O-NE 3.21Å; K329-R341 PolarHBondContact O-NH2 3.01Å; F331-R341 WeakPolarHBondContact O-CA 3.46Å; Q332-R341 HydrophobicContact CB-CG 4.01Å; Q332-R341 HydrophobicContact CG-CG 4.03Å; D339-R341 WeakPolarHBondContact O-CG 3.5Å; D339-R341 PolarHBondContact O-N 2.47Å
342F90.3Very high88.5Confident37 Ų3778.2 Ų78.216%0.16240%0.395CS..EExtended strand (participates in β ladder)trans-126.4147.7-172.2-60-92.5000112.7K329 F331 R340 N344 D347 R348 H351K329-F342 CarbonylContact C-O 3.22Å; K329-F342 WeakPolarHBondContact CA-O 3.49Å; F331-F342 HydrophobicContact CB-CB 4.33Å; F331-F342 PolarHBondContact N-O 2.5Å; F331-F342 VanDerWaalsContact N-O 3.11Å; F331-F342 PolarHBondContact O-N 2.68Å; R340-F342 HydrophobicContact CB-CE2 4.04Å; R340-F342 HydrophobicContact CB-CZ 4.25Å; R340-F342 HydrophobicContact CG-CE2 4.22Å; R340-F342 HydrophobicContact CG-CZ 3.97Å; R340-F342 VanDerWaalsContact O-CE2 3.28Å; R340-F342 WeakPolarHBondContact O-CE2 3.38Å; F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 WeakPolarHBondContact CB-O 3.43Å; F342-N344 PolarHBondContact O-N 3.08Å; F342-D347 HydrophobicContact CD1-CB 4.08Å; F342-R348 HydrophobicContact CB-CB 4.19Å; F342-R348 HydrophobicContact CD2-CB 3.74Å; F342-R348 HydrophobicContact CD2-CG 3.96Å; F342-R348 HydrophobicContact CE2-CB 4.46Å; F342-R348 HydrophobicContact CE2-CG 4.39Å; F342-R348 HydrophobicContact CG-CB 4.02Å; F342-H351 HydrophobicContact CE1-CB 4.08Å; F342-H351 HydrophobicContact CE2-CB 4.14Å; F342-H351 AromaticContact CE2-CD2 3.42Å; F342-H351 VanDerWaalsContact CE2-CD2 3.42Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.48Å; F342-H351 HydrophobicContact CZ-CB 3.55Å; F342-H351 AromaticContact CZ-CD2 3.28Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.35Å; F342-H351 AromaticContact CZ-CG 3.49Å; F342-H351 VanDerWaalsContact CZ-CG 3.49Å
343A89.1Confident88.1Confident21 Ų2177.4 Ų77.417%0.17439%0.391CS..SBendtrans-75.3-15.5175.600000113.6R323R323-A343 HydrophobicContact CB-CB 4.09Å; R323-A343 WeakPolarHBondContact CD-O 3.38Å; R323-A343 PolarHBondContact NH1-O 3.48Å
344N91.2Very high87.6Confident21 Ų2181.3 Ų81.311%0.11241%0.414CS..SBendtrans-144.3153.5173.672.580.7000112.3I320 F331 F342 S346 D347 R348I320-N344 HydrophobicContact CD1-CB 3.77Å; I320-N344 HydrophobicContact CG1-CB 3.94Å; I320-N344 HydrophobicContact CG2-CB 3.85Å; F331-N344 VanDerWaalsContact CD2-CA 3.41Å; F342-N344 VanDerWaalsContact C-N 3.3Å; F342-N344 WeakPolarHBondContact CB-O 3.43Å; F342-N344 PolarHBondContact O-N 3.08Å; N344-S346 VanDerWaalsContact C-N 3.31Å; N344-S346 PolarHBondContact O-N 2.89Å; N344-S346 WeakPolarHBondContact OD1-CB 3.47Å; N344-S346 PolarHBondContact OD1-N 3.35Å; N344-S346 VanDerWaalsContact OD1-N 3.09Å; N344-D347 PolarHBondContact ND2-OD2 2.95Å; N344-D347 PolarHBondContact OD1-N 3.29Å; N344-D347 PolarHBondContact OD1-OD2 3.38Å; N344-R348 PolarHBondContact O-N 3.21Å
345S89.1Confident87.3Confident59 Ų5977.7 Ų77.741%0.41340%0.398SS..Hα-helixtrans-69.6-24.7-177.953.50000113.9K349S345-K349 PolarHBondContact O-N 3.27Å
346S88.4Confident86.7Confident73 Ų7376.9 Ų76.951%0.5140%0.401SS..Hα-helixtrans-71.8-40.8-178.8-64.80000111.4N344 K349 K350N344-S346 VanDerWaalsContact C-N 3.31Å; N344-S346 PolarHBondContact O-N 2.89Å; N344-S346 WeakPolarHBondContact OD1-CB 3.47Å; N344-S346 PolarHBondContact OD1-N 3.35Å; N344-S346 VanDerWaalsContact OD1-N 3.09Å; S346-K349 PolarHBondContact O-N 3.1Å; S346-K350 WeakPolarHBondContact O-CG 3.43Å; S346-K350 PolarHBondContact O-N 2.98Å
347D88.7Confident85.9Confident61 Ų6172.9 Ų72.933%0.32639%0.393SS..Hα-helixtrans-74.1-33.1176.6-65.7-25.1000111.8F342 N344 K350 H351F342-D347 HydrophobicContact CD1-CB 4.08Å; N344-D347 PolarHBondContact ND2-OD2 2.95Å; N344-D347 PolarHBondContact OD1-N 3.29Å; N344-D347 PolarHBondContact OD1-OD2 3.38Å; D347-K350 PolarHBondContact O-N 3.15Å; D347-K350 WeakPolarHBondContact OD1-CE 3.38Å; D347-K350 IonicContact OD1-NZ 2.64Å; D347-K350 PolarHBondContact OD1-NZ 3.32Å; D347-H351 PolarHBondContact O-N 2.66Å
348R90.9Very high85.3Confident48 Ų4873.1 Ų73.118%0.18138%0.375CS..Hα-helixtrans-56.7-51.8164.3-173.4-171.269.6168.513.9110.9F331 Q332 E334 F342 N344 K350 H351 M352F331-R348 HydrophobicContact CB-CB 4.29Å; Q332-R348 WeakPolarHBondContact O-CD 3.47Å; Q332-R348 PolarHBondContact O-NH1 2.86Å; E334-R348 IonicContact OE1-CZ 3.21Å; E334-R348 IonicContact OE1-NH1 2.75Å; E334-R348 PolarHBondContact OE1-NH1 3.03Å; E334-R348 IonicContact OE1-NH2 2.81Å; E334-R348 PolarHBondContact OE1-NH2 3.45Å; E334-R348 IonicContact OE2-CZ 3.11Å; E334-R348 IonicContact OE2-NE 3.74Å; E334-R348 IonicContact OE2-NH1 3.5Å; E334-R348 PolarHBondContact OE2-NH1 3.11Å; E334-R348 IonicContact OE2-NH2 2.7Å; E334-R348 PolarHBondContact OE2-NH2 3.44Å; F342-R348 HydrophobicContact CB-CB 4.19Å; F342-R348 HydrophobicContact CD2-CB 3.74Å; F342-R348 HydrophobicContact CD2-CG 3.96Å; F342-R348 HydrophobicContact CE2-CB 4.46Å; F342-R348 HydrophobicContact CE2-CG 4.39Å; F342-R348 HydrophobicContact CG-CB 4.02Å; N344-R348 PolarHBondContact O-N 3.21Å; R348-K350 VanDerWaalsContact C-N 3.3Å; R348-K350 PolarHBondContact O-N 3.08Å; R348-H351 WeakPolarHBondContact O-CA 3.26Å; R348-H351 WeakPolarHBondContact O-CB 3.33Å; R348-H351 PolarHBondContact O-N 3.48Å; R348-M352 HydrophobicContact CG-CE 4.08Å; R348-M352 HydrophobicContact CG-SD 4.41Å; R348-M352 WeakPolarHBondContact O-CE 3.47Å; R348-M352 WeakPolarHBondContact O-CG 3.29Å; R348-M352 PolarHBondContact O-N 3.17Å
349K87.6Confident84.5Confident150 Ų15077.5 Ų77.565%0.65239%0.392SS*.Hα-helixtrans-59.5-40.1-179.6-173.4166.1-177.2168.70112S345 S346 H351 M352 H353S345-K349 PolarHBondContact O-N 3.27Å; S346-K349 PolarHBondContact O-N 3.1Å; K349-H351 VanDerWaalsContact C-N 3.29Å; K349-H351 PolarHBondContact O-N 2.73Å; K349-M352 PolarHBondContact O-N 2.89Å; K349-H353 PolarHBondContact O-CD2 3.15Å
350K84.3Confident84Confident105 Ų10574.6 Ų74.646%0.45738%0.381SS..Hα-helixtrans-61.3-35.6173.3-68.7169.4-160.2164.30113.1S346 D347 R348 H353 H372S346-K350 WeakPolarHBondContact O-CG 3.43Å; S346-K350 PolarHBondContact O-N 2.98Å; D347-K350 PolarHBondContact O-N 3.15Å; D347-K350 WeakPolarHBondContact OD1-CE 3.38Å; D347-K350 IonicContact OD1-NZ 2.64Å; D347-K350 PolarHBondContact OD1-NZ 3.32Å; R348-K350 VanDerWaalsContact C-N 3.3Å; R348-K350 PolarHBondContact O-N 3.08Å; K350-H353 PolarHBondContact O-CD2 2.94Å; K350-H372 PolarHBondContact O-NE2 2.92Å; K350-H372 VanDerWaalsContact O-NE2 3.14Å
351H87.2Confident83.6Confident16 Ų1671.7 Ų71.77%0.07437%0.37CS..Hα-helixtrans-69.8-29.3177.8173.242.5000112.9C338 R340 F342 D347 R348 K349 H353 V354 H355C338-H351 PolarHBondContact SG-NE2 3.09Å; R340-H351 WeakPolarHBondContact CD-NE2 3.47Å; F342-H351 HydrophobicContact CE1-CB 4.08Å; F342-H351 HydrophobicContact CE2-CB 4.14Å; F342-H351 AromaticContact CE2-CD2 3.42Å; F342-H351 VanDerWaalsContact CE2-CD2 3.42Å; F342-H351 WeakPolarHBondContact CE2-CD2 3.48Å; F342-H351 HydrophobicContact CZ-CB 3.55Å; F342-H351 AromaticContact CZ-CD2 3.28Å; F342-H351 WeakPolarHBondContact CZ-CD2 3.35Å; F342-H351 AromaticContact CZ-CG 3.49Å; F342-H351 VanDerWaalsContact CZ-CG 3.49Å; D347-H351 PolarHBondContact O-N 2.66Å; R348-H351 WeakPolarHBondContact O-CA 3.26Å; R348-H351 WeakPolarHBondContact O-CB 3.33Å; R348-H351 PolarHBondContact O-N 3.48Å; K349-H351 VanDerWaalsContact C-N 3.29Å; K349-H351 PolarHBondContact O-N 2.73Å; H351-H353 PolarHBondContact O-N 2.87Å; H351-H353 VanDerWaalsContact O-N 3.14Å; H351-V354 VanDerWaalsContact O-CB 3.24Å; H351-V354 WeakPolarHBondContact O-CB 3.41Å; H351-V354 WeakPolarHBondContact O-CG2 3.38Å; H351-V354 PolarHBondContact O-N 3.3Å; H351-H355 AromaticContact CD2-NE2 3.75Å; H351-H355 AromaticContact CE1-NE2 3.61Å; H351-H355 AromaticContact NE2-NE2 3.03Å; H351-H355 PolarHBondContact NE2-NE2 2.92Å
352M85Confident83.3Confident36 Ų3670.9 Ų70.918%0.17738%0.375CS..Hα-helixtrans-60.4-29.9-178-55-58.578.100112.5C333 R348 K349 V354 H355 T356C333-M352 HydrophobicContact CB-CE 3.93Å; C333-M352 WeakPolarHBondContact SG-CE 3.25Å; R348-M352 HydrophobicContact CG-CE 4.08Å; R348-M352 HydrophobicContact CG-SD 4.41Å; R348-M352 WeakPolarHBondContact O-CE 3.47Å; R348-M352 WeakPolarHBondContact O-CG 3.29Å; R348-M352 PolarHBondContact O-N 3.17Å; K349-M352 PolarHBondContact O-N 2.89Å; M352-V354 PolarHBondContact O-N 3.23Å; M352-V354 VanDerWaalsContact O-N 3.1Å; M352-H355 PolarHBondContact O-N 3.34Å; M352-T356 PolarHBondContact O-N 2.97Å; M352-T356 PolarHBondContact O-OG1 2.85Å; M352-T356 VanDerWaalsContact O-OG1 3.12Å
353H82.8Confident83.2Confident59 Ų5969.7 Ų69.727%0.27337%0.372SS..Hα-helixtrans-62.5-12.4173-59.4-83.2000114.4K349 K350 H351 H372K349-H353 PolarHBondContact O-CD2 3.15Å; K350-H353 PolarHBondContact O-CD2 2.94Å; H351-H353 PolarHBondContact O-N 2.87Å; H351-H353 VanDerWaalsContact O-N 3.14Å; H353-H372 AromaticContact CD2-CE1 3.64Å; H353-H372 AromaticContact CD2-NE2 3.79Å
354V82.3Confident83Confident93 Ų9378.3 Ų78.356%0.56441%0.405SS*.Hα-helixtrans-71.6-37.8169.7179.70000110.5H351 M352H351-V354 VanDerWaalsContact O-CB 3.24Å; H351-V354 WeakPolarHBondContact O-CB 3.41Å; H351-V354 WeakPolarHBondContact O-CG2 3.38Å; H351-V354 PolarHBondContact O-N 3.3Å; M352-V354 PolarHBondContact O-N 3.23Å; M352-V354 VanDerWaalsContact O-N 3.1Å
355H82.2Confident82.7Confident60 Ų6083.2 Ų83.228%0.27843%0.429SS..Hα-helixtrans-80-39.2-179.7-57.3-49.7000111.9C333 F335 C338 H351 M352 S357C333-H355 PolarHBondContact SG-NE2 3.43Å; F335-H355 VanDerWaalsContact CB-CD2 3.43Å; F335-H355 WeakPolarHBondContact CB-CD2 3.43Å; F335-H355 HydrophobicContact CD1-CB 4.4Å; F335-H355 AromaticContact CD1-CG 3.85Å; F335-H355 AromaticContact CD1-ND1 3.76Å; F335-H355 HydrophobicContact CD2-CB 3.7Å; F335-H355 AromaticContact CD2-CG 3.93Å; F335-H355 HydrophobicContact CE2-CB 3.91Å; F335-H355 HydrophobicContact CG-CB 3.97Å; F335-H355 AromaticContact CG-CD2 3.64Å; F335-H355 AromaticContact CG-CG 3.63Å; F335-H355 HydrophobicContact CZ-CB 4.35Å; C338-H355 WeakPolarHBondContact CB-CE1 3.33Å; C338-H355 WeakPolarHBondContact CB-NE2 3.39Å; C338-H355 PolarHBondContact SG-CE1 2.68Å; C338-H355 PolarHBondContact SG-NE2 2.84Å; H351-H355 AromaticContact CD2-NE2 3.75Å; H351-H355 AromaticContact CE1-NE2 3.61Å; H351-H355 AromaticContact NE2-NE2 3.03Å; H351-H355 PolarHBondContact NE2-NE2 2.92Å; M352-H355 PolarHBondContact O-N 3.34Å; H355-S357 PolarHBondContact O-N 3.14Å
356T74.4Confident82.7Confident91 Ų9181.9 Ų81.956%0.55842%0.419SS*.SBendtrans-67.3-16.7179.4-34.30000113.2M352 D358M352-T356 PolarHBondContact O-N 2.97Å; M352-T356 PolarHBondContact O-OG1 2.85Å; M352-T356 VanDerWaalsContact O-OG1 3.12Å; T356-D358 HydrophobicContact CG2-CB 4.05Å; T356-D358 PolarHBondContact O-N 3.38Å
357S67.6Low82.4Confident90 Ų9085.9 Ų85.963%0.62944%0.435SS*.  trans55.9-5.9-173-64.30000116.8H355H355-S357 PolarHBondContact O-N 3.14Å
358D70.8Confident82.1Confident87 Ų8788.7 Ų88.747%0.46544%0.444SS..  trans-69.1129.2-173.9-174.316.3000112.5T356 P360T356-D358 HydrophobicContact CG2-CB 4.05Å; T356-D358 PolarHBondContact O-N 3.38Å; D358-P360 WeakPolarHBondContact O-CD 3.28Å; D358-P360 WeakPolarHBondContact OD1-CD 3.34Å
359K73.6Confident81.8Confident106 Ų10688.5 Ų88.546%0.46145%0.45SS..  trans-124.561.4-174.3-65.1172.9-172.3173.90110.9Y361 S369 Y370 T371K359-Y361 PolarHBondContact O-N 3.3Å; K359-S369 VanDerWaalsContact CD-OG 3.23Å; K359-S369 WeakPolarHBondContact CD-OG 3.38Å; K359-Y370 CarbonylContact C-O 3.52Å; K359-Y370 VanDerWaalsContact C-O 3.26Å; K359-Y370 VanDerWaalsContact CA-O 3.28Å; K359-Y370 WeakPolarHBondContact CA-O 3.33Å; K359-T371 HydrophobicContact CG-CG2 3.82Å
360P77.1Confident81.5Confident71 Ų7184 Ų8446%0.46143%0.429SS..  trans-69.9-6.2-171.530.4-36.5000113.7D358 L362D358-P360 WeakPolarHBondContact O-CD 3.28Å; D358-P360 WeakPolarHBondContact OD1-CD 3.34Å; P360-L362 PolarHBondContact O-N 3.43Å
361Y82.1Confident81.3Confident89 Ų8981 Ų8135%0.34942%0.42SS..EExtended strand (participates in β ladder)trans-98.379179.8-53.9-70.3000110.7K359 Y370 P373K359-Y361 PolarHBondContact O-N 3.3Å; Y361-Y370 WeakPolarHBondContact CB-O 3.48Å; Y361-Y370 WeakPolarHBondContact CD2-O 3.24Å; Y361-Y370 PolarHBondContact N-O 2.92Å; Y361-Y370 PolarHBondContact O-N 3.23Å; Y361-P373 HydrophobicContact CD1-CB 3.77Å; Y361-P373 HydrophobicContact CD1-CG 4.47Å; Y361-P373 HydrophobicContact CE1-CB 3.79Å; Y361-P373 HydrophobicContact CE1-CG 4.07Å; Y361-P373 VanDerWaalsContact CE2-CD 3.49Å; Y361-P373 HydrophobicContact CE2-CG 4.31Å; Y361-P373 HydrophobicContact CG-CB 4.14Å
362L85.4Confident81Confident115 Ų11582 Ų8260%0.60243%0.425SS*.EExtended strand (participates in β ladder)trans-69.5143.4174.2-73.9160.4000112.1P360 L376P360-L362 PolarHBondContact O-N 3.43Å; L362-L376 WeakPolarHBondContact O-CD2 3.46Å
363C87.8Confident80.9Confident13 Ų1383 Ų839%0.08843%0.434CS..  trans-78.9148163.8-176.50000110.8M365 C366 K368 L376 H379 M380 H383C363-M365 PolarHBondContact SG-N 3.11Å; C363-M365 VanDerWaalsContact SG-N 3.43Å; C363-C366 CarbonylContact C-O 3.48Å; C363-C366 VanDerWaalsContact CB-O 3.25Å; C363-C366 WeakPolarHBondContact CB-O 3.23Å; C363-K368 VanDerWaalsContact CB-O 3.26Å; C363-K368 WeakPolarHBondContact CB-O 3.28Å; C363-K368 PolarHBondContact N-O 3.39Å; C363-L376 HydrophobicContact CB-CD1 3.91Å; C363-H379 PolarHBondContact SG-NE2 3.18Å; C363-M380 HydrophobicContact CB-CE 4Å; C363-M380 WeakPolarHBondContact SG-CE 3.49Å; C363-H383 PolarHBondContact SG-NE2 2.97Å
364K85Confident81Confident201 Ų20183.2 Ų83.287%0.87444%0.442SS*.SBendtrans-96.8-9.2178.4-64-168.6175.3-169.30113.5
365M83.9Confident81.2Confident124 Ų12480.9 Ų80.961%0.61143%0.43SS*.SBendtrans-108.9-8.5-175.5-59.8-78-7800112.2C363 H383C363-M365 PolarHBondContact SG-N 3.11Å; C363-M365 VanDerWaalsContact SG-N 3.43Å; M365-H383 HydrophobicContact CB-CB 4.45Å; M365-H383 HydrophobicContact CE-CB 4.06Å; M365-H383 HydrophobicContact CG-CB 4.34Å; M365-H383 PolarHBondContact O-CE1 3.48Å
366C89Confident81.5Confident31 Ų3179.5 Ų79.521%0.20942%0.424CS..SBendtrans-170.8164.617262.60000109.2C363 K368 H379 H383C363-C366 CarbonylContact C-O 3.48Å; C363-C366 VanDerWaalsContact CB-O 3.25Å; C363-C366 WeakPolarHBondContact CB-O 3.23Å; C366-K368 PolarHBondContact O-N 3.49Å; C366-H379 PolarHBondContact SG-NE2 3.4Å; C366-H383 VanDerWaalsContact CB-CE1 3.45Å; C366-H383 WeakPolarHBondContact CB-CE1 2.91Å; C366-H383 PolarHBondContact SG-CE1 3.28Å; C366-H383 PolarHBondContact SG-NE2 3.06Å
367D82.6Confident82.2Confident158 Ų15883.5 Ų83.585%0.84543%0.429SS*.SBendtrans-73.718.8-171.8-45.5-74.4000115.8S369D367-S369 PolarHBondContact O-N 2.83Å
368K83.1Confident83.1Confident120 Ų12087.1 Ų87.152%0.52243%0.434SS..  trans-78.3114.6-177.7-67.5178.7-176.6171.10110.7C363 C366 Y370C363-K368 VanDerWaalsContact CB-O 3.26Å; C363-K368 WeakPolarHBondContact CB-O 3.28Å; C363-K368 PolarHBondContact N-O 3.39Å; C366-K368 PolarHBondContact O-N 3.49Å; K368-Y370 HydrophobicContact CB-CE2 3.76Å; K368-Y370 WeakPolarHBondContact O-CD2 3.42Å; K368-Y370 WeakPolarHBondContact O-CE2 3.48Å
369S83.6Confident84Confident44 Ų4483.9 Ų83.931%0.30842%0.415SS..EExtended strand (participates in β ladder)trans-99.7143.2178.160.10000112.4K359 D367K359-S369 VanDerWaalsContact CD-OG 3.23Å; K359-S369 WeakPolarHBondContact CD-OG 3.38Å; D367-S369 PolarHBondContact O-N 2.83Å
370Y81.8Confident84.6Confident54 Ų5481.5 Ų81.521%0.21241%0.407CS..EExtended strand (participates in β ladder)trans-127.5145.7-174.7-64.7-89.9000112.2K359 Y361 K368 H372 L376 H379K359-Y370 CarbonylContact C-O 3.52Å; K359-Y370 VanDerWaalsContact C-O 3.26Å; K359-Y370 VanDerWaalsContact CA-O 3.28Å; K359-Y370 WeakPolarHBondContact CA-O 3.33Å; Y361-Y370 WeakPolarHBondContact CB-O 3.48Å; Y361-Y370 WeakPolarHBondContact CD2-O 3.24Å; Y361-Y370 PolarHBondContact N-O 2.92Å; Y361-Y370 PolarHBondContact O-N 3.23Å; K368-Y370 HydrophobicContact CB-CE2 3.76Å; K368-Y370 WeakPolarHBondContact O-CD2 3.42Å; K368-Y370 WeakPolarHBondContact O-CE2 3.48Å; Y370-H372 VanDerWaalsContact C-N 3.33Å; Y370-L376 HydrophobicContact CD2-CB 4.23Å; Y370-L376 HydrophobicContact CD2-CD1 3.79Å; Y370-L376 HydrophobicContact CE2-CD1 4.2Å; Y370-L376 HydrophobicContact CG-CB 4.39Å; Y370-H379 HydrophobicContact CE1-CB 4.24Å; Y370-H379 HydrophobicContact CE2-CB 4.01Å; Y370-H379 AromaticContact CE2-CD2 3.37Å; Y370-H379 WeakPolarHBondContact CE2-CD2 3.31Å; Y370-H379 AromaticContact CE2-CG 3.87Å; Y370-H379 AromaticContact CZ-CD2 3.63Å; Y370-H379 AromaticContact CZ-CG 3.65Å; Y370-H379 WeakPolarHBondContact OH-CB 3.42Å; Y370-H379 PolarHBondContact OH-CD2 3.27Å; Y370-H379 VanDerWaalsContact OH-CD2 3.27Å
371T80.4Confident85.2Confident42 Ų4284.8 Ų84.826%0.25841%0.414SS..SBendtrans-77.3-15.6174.453.50000113.4K359K359-T371 HydrophobicContact CG-CG2 3.82Å
372H80.7Confident85.4Confident39 Ų3984.5 Ų84.518%0.18142%0.421CS..SBendtrans-138.5139.6-177.5-75.9-79.1000112.4K350 H353 Y370 S374 S375 L376K350-H372 PolarHBondContact O-NE2 2.92Å; K350-H372 VanDerWaalsContact O-NE2 3.14Å; H353-H372 AromaticContact CD2-CE1 3.64Å; H353-H372 AromaticContact CD2-NE2 3.79Å; Y370-H372 VanDerWaalsContact C-N 3.33Å; H372-S374 VanDerWaalsContact C-N 3.25Å; H372-S374 PolarHBondContact O-N 3.34Å; H372-S375 WeakPolarHBondContact O-CB 3.38Å; H372-S375 PolarHBondContact O-N 2.91Å; H372-S375 VanDerWaalsContact O-N 3.08Å; H372-L376 PolarHBondContact O-N 3.41Å; H372-L376 VanDerWaalsContact O-N 3.15Å
373P82.4Confident85.4Confident55 Ų5581.5 Ų81.536%0.35740%0.404SS..Hα-helixtrans-73.1-20-177.829.5-32000112.5Y361 R377Y361-P373 HydrophobicContact CD1-CB 3.77Å; Y361-P373 HydrophobicContact CD1-CG 4.47Å; Y361-P373 HydrophobicContact CE1-CB 3.79Å; Y361-P373 HydrophobicContact CE1-CG 4.07Å; Y361-P373 VanDerWaalsContact CE2-CD 3.49Å; Y361-P373 HydrophobicContact CE2-CG 4.31Å; Y361-P373 HydrophobicContact CG-CB 4.14Å; P373-R377 WeakPolarHBondContact O-CB 3.31Å; P373-R377 PolarHBondContact O-N 3.18Å
374S85.6Confident84.9Confident64 Ų6488.4 Ų88.445%0.44844%0.435SS..Hα-helixtrans-69.2-35.6169.8490000112.2H372 K378H372-S374 VanDerWaalsContact C-N 3.25Å; H372-S374 PolarHBondContact O-N 3.34Å; S374-K378 WeakPolarHBondContact O-CG 3.41Å; S374-K378 PolarHBondContact O-N 3.1Å
375S86.3Confident84.1Confident45 Ų4583 Ų8332%0.31542%0.423SS..Hα-helixtrans-70.3-43.3174.4-56.10000110.9H372 R377 K378 H379H372-S375 WeakPolarHBondContact O-CB 3.38Å; H372-S375 PolarHBondContact O-N 2.91Å; H372-S375 VanDerWaalsContact O-N 3.08Å; S375-R377 PolarHBondContact O-N 3.03Å; S375-K378 WeakPolarHBondContact O-CB 3.48Å; S375-K378 PolarHBondContact O-N 2.88Å; S375-H379 PolarHBondContact O-N 3.45Å
376L88.9Confident82.5Confident30 Ų3081 Ų8116%0.15742%0.418CS..Hα-helixtrans-56-48.3171-179.364.8000111.4L362 C363 Y370 H372 K378 H379 M380L362-L376 WeakPolarHBondContact O-CD2 3.46Å; C363-L376 HydrophobicContact CB-CD1 3.91Å; Y370-L376 HydrophobicContact CD2-CB 4.23Å; Y370-L376 HydrophobicContact CD2-CD1 3.79Å; Y370-L376 HydrophobicContact CE2-CD1 4.2Å; Y370-L376 HydrophobicContact CG-CB 4.39Å; H372-L376 PolarHBondContact O-N 3.41Å; H372-L376 VanDerWaalsContact O-N 3.15Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 3.48Å; L376-H379 WeakPolarHBondContact O-CB 3.28Å; L376-H379 PolarHBondContact O-N 3.14Å; L376-H379 VanDerWaalsContact O-N 3.1Å; L376-M380 HydrophobicContact CD1-CE 3.67Å; L376-M380 HydrophobicContact CG-CE 4.19Å; L376-M380 WeakPolarHBondContact O-CG 3.31Å; L376-M380 PolarHBondContact O-N 3Å
377R87.9Confident80.6Confident176 Ų17685.2 Ų85.266%0.66444%0.444SS*.Hα-helixtrans-63.1-34.9178-170.5-179-62.4129.44.1113.2P373 S375P373-R377 WeakPolarHBondContact O-CB 3.31Å; P373-R377 PolarHBondContact O-N 3.18Å; S375-R377 PolarHBondContact O-N 3.03Å
378K87.5Confident78.6Confident166 Ų16682.5 Ų82.572%0.72244%0.438SS*.Hα-helixtrans-64.9-41.8171.6-77.7-178.3173.8-1690111.4S374 S375 L376 K381S374-K378 WeakPolarHBondContact O-CG 3.41Å; S374-K378 PolarHBondContact O-N 3.1Å; S375-K378 WeakPolarHBondContact O-CB 3.48Å; S375-K378 PolarHBondContact O-N 2.88Å; L376-K378 VanDerWaalsContact C-N 3.33Å; L376-K378 PolarHBondContact O-N 3.48Å; K378-K381 PolarHBondContact O-N 2.99Å
379H88.6Confident76.6Confident18 Ų1882.1 Ų82.18%0.08346%0.457CS..Hα-helixtrans-67.3-38.4178169.344000113C363 C366 Y370 S375 L376 K381 V382 H383C363-H379 PolarHBondContact SG-NE2 3.18Å; C366-H379 PolarHBondContact SG-NE2 3.4Å; Y370-H379 HydrophobicContact CE1-CB 4.24Å; Y370-H379 HydrophobicContact CE2-CB 4.01Å; Y370-H379 AromaticContact CE2-CD2 3.37Å; Y370-H379 WeakPolarHBondContact CE2-CD2 3.31Å; Y370-H379 AromaticContact CE2-CG 3.87Å; Y370-H379 AromaticContact CZ-CD2 3.63Å; Y370-H379 AromaticContact CZ-CG 3.65Å; Y370-H379 WeakPolarHBondContact OH-CB 3.42Å; Y370-H379 PolarHBondContact OH-CD2 3.27Å; Y370-H379 VanDerWaalsContact OH-CD2 3.27Å; S375-H379 PolarHBondContact O-N 3.45Å; L376-H379 WeakPolarHBondContact O-CB 3.28Å; L376-H379 PolarHBondContact O-N 3.14Å; L376-H379 VanDerWaalsContact O-N 3.1Å; H379-K381 PolarHBondContact O-N 3.32Å; H379-K381 VanDerWaalsContact O-N 3.17Å; H379-V382 VanDerWaalsContact O-CB 3.25Å; H379-V382 WeakPolarHBondContact O-CB 3.49Å; H379-V382 WeakPolarHBondContact O-CG2 3.48Å; H379-V382 PolarHBondContact O-N 3.38Å; H379-H383 AromaticContact CD2-NE2 3.7Å; H379-H383 AromaticContact CE1-CD2 3.48Å; H379-H383 PolarHBondContact CE1-CD2 3.03Å; H379-H383 VanDerWaalsContact CE1-CD2 3.48Å; H379-H383 AromaticContact CE1-NE2 2.68Å; H379-H383 PolarHBondContact CE1-NE2 3.41Å; H379-H383 AromaticContact ND1-NE2 3.89Å; H379-H383 AromaticContact NE2-CD2 3.62Å; H379-H383 AromaticContact NE2-NE2 2.47Å; H379-H383 PolarHBondContact NE2-NE2 2.69Å
380M87.6Confident74.9Confident57 Ų5784.2 Ų84.228%0.28147%0.472SS..Hα-helixtrans-55.8-33.4176.8-72.5-68.6166.900112.7C363 L376 V382 H383 E384C363-M380 HydrophobicContact CB-CE 4Å; C363-M380 WeakPolarHBondContact SG-CE 3.49Å; L376-M380 HydrophobicContact CD1-CE 3.67Å; L376-M380 HydrophobicContact CG-CE 4.19Å; L376-M380 WeakPolarHBondContact O-CG 3.31Å; L376-M380 PolarHBondContact O-N 3Å; M380-V382 PolarHBondContact O-N 2.96Å; M380-H383 PolarHBondContact O-N 2.87Å; M380-H383 VanDerWaalsContact O-N 3.15Å; M380-E384 PolarHBondContact O-N 2.73Å
381K88.3Confident72.9Confident140 Ų14089.3 Ų89.361%0.60950%0.503SS*.Hα-helixtrans-62.2-23.8173.9-66.1-163167.2-1440114.3K378 H379 E384 S385K378-K381 PolarHBondContact O-N 2.99Å; H379-K381 PolarHBondContact O-N 3.32Å; H379-K381 VanDerWaalsContact O-N 3.17Å; K381-E384 PolarHBondContact O-N 2.81Å; K381-S385 VanDerWaalsContact O-CB 3.31Å; K381-S385 WeakPolarHBondContact O-CB 3.21Å; K381-S385 PolarHBondContact O-N 3.17Å; K381-S385 PolarHBondContact O-OG 3.12Å; K381-S385 VanDerWaalsContact O-OG 3.13Å
382V86.7Confident70.9Confident82 Ų8293.4 Ų93.450%0.49753%0.533SS..Hα-helixtrans-68.1-46.8174.9-175.60000109.5H379 M380 E384 S385 T386H379-V382 VanDerWaalsContact O-CB 3.25Å; H379-V382 WeakPolarHBondContact O-CB 3.49Å; H379-V382 WeakPolarHBondContact O-CG2 3.48Å; H379-V382 PolarHBondContact O-N 3.38Å; M380-V382 PolarHBondContact O-N 2.96Å; V382-E384 VanDerWaalsContact C-N 3.31Å; V382-E384 PolarHBondContact O-N 3.21Å; V382-S385 WeakPolarHBondContact CA-OG 3.43Å; V382-S385 PolarHBondContact O-N 2.95Å; V382-S385 PolarHBondContact O-OG 2.93Å; V382-T386 PolarHBondContact O-N 2.63Å; V382-T386 VanDerWaalsContact O-N 3.16Å; V382-T386 PolarHBondContact O-OG1 2.53Å
383H84.9Confident69Low52 Ų5297.3 Ų97.324%0.24157%0.565CS.*Hα-helixtrans-64.4-34.3174.3-68.8-73.2000112.6C363 M365 C366 H379 M380 T386C363-H383 PolarHBondContact SG-NE2 2.97Å; M365-H383 HydrophobicContact CB-CB 4.45Å; M365-H383 HydrophobicContact CE-CB 4.06Å; M365-H383 HydrophobicContact CG-CB 4.34Å; M365-H383 PolarHBondContact O-CE1 3.48Å; C366-H383 VanDerWaalsContact CB-CE1 3.45Å; C366-H383 WeakPolarHBondContact CB-CE1 2.91Å; C366-H383 PolarHBondContact SG-CE1 3.28Å; C366-H383 PolarHBondContact SG-NE2 3.06Å; H379-H383 AromaticContact CD2-NE2 3.7Å; H379-H383 AromaticContact CE1-CD2 3.48Å; H379-H383 PolarHBondContact CE1-CD2 3.03Å; H379-H383 VanDerWaalsContact CE1-CD2 3.48Å; H379-H383 AromaticContact CE1-NE2 2.68Å; H379-H383 PolarHBondContact CE1-NE2 3.41Å; H379-H383 AromaticContact ND1-NE2 3.89Å; H379-H383 AromaticContact NE2-CD2 3.62Å; H379-H383 AromaticContact NE2-NE2 2.47Å; H379-H383 PolarHBondContact NE2-NE2 2.69Å; M380-H383 PolarHBondContact O-N 2.87Å; M380-H383 VanDerWaalsContact O-N 3.15Å; H383-T386 WeakPolarHBondContact CA-OG1 3.45Å; H383-T386 PolarHBondContact O-N 3.16Å; H383-T386 PolarHBondContact O-OG1 3.44Å
384E77.6Confident68Low158 Ų158100.7 Ų100.774%0.73859%0.586SS**Hα-helixtrans-73.4-28175.1-164.9171-150.500112.7M380 K381 V382 T386M380-E384 PolarHBondContact O-N 2.73Å; K381-E384 PolarHBondContact O-N 2.81Å; V382-E384 VanDerWaalsContact C-N 3.31Å; V382-E384 PolarHBondContact O-N 3.21Å; E384-T386 VanDerWaalsContact C-N 3.34Å
385S68.4Low65.4Low89 Ų89102.2 Ų102.262%0.62260%0.603SS**Hα-helixtrans-80.8-11.6173.265.60000114.3K381 V382 P387K381-S385 VanDerWaalsContact O-CB 3.31Å; K381-S385 WeakPolarHBondContact O-CB 3.21Å; K381-S385 PolarHBondContact O-N 3.17Å; K381-S385 PolarHBondContact O-OG 3.12Å; K381-S385 VanDerWaalsContact O-OG 3.13Å; V382-S385 WeakPolarHBondContact CA-OG 3.43Å; V382-S385 PolarHBondContact O-N 2.95Å; V382-S385 PolarHBondContact O-OG 2.93Å; S385-P387 WeakPolarHBondContact O-CD 3.23Å
386T51.4Low62.7Low82 Ų82104.6 Ų104.650%0.50363%0.625SS.*SBendtrans-102.596.7171.751.30000109.4V382 H383 E384V382-T386 PolarHBondContact O-N 2.63Å; V382-T386 VanDerWaalsContact O-N 3.16Å; V382-T386 PolarHBondContact O-OG1 2.53Å; H383-T386 WeakPolarHBondContact CA-OG1 3.45Å; H383-T386 PolarHBondContact O-N 3.16Å; H383-T386 PolarHBondContact O-OG1 3.44Å; E384-T386 VanDerWaalsContact C-N 3.34Å
387P47.8Very low60.1Low118 Ų118108.8 Ų108.877%0.76666%0.657SS**  trans-57144.9169.425.9-34000109.8S385 A389S385-P387 WeakPolarHBondContact O-CD 3.23Å; P387-A389 PolarHBondContact O-N 2.7Å
388S41.3Very low57.6Low101 Ų101106.3 Ų106.371%0.70667%0.667SS**  trans-66.5102.1-166.152.60000113S390S388-S390 PolarHBondContact O-N 3.5Å
389A40.6Very low54.9Low112 Ų112102 Ų10293%0.92667%0.67SS**  trans-74.463.7159.800000110P387P387-A389 PolarHBondContact O-N 2.7Å
390S47.7Very low52.2Low89 Ų89112 Ų11262%0.62271%0.708SS**  trans-116.470.2-178.9620000110.5S388S388-S390 PolarHBondContact O-N 3.5Å
391D40.5Very low49.6Very low161 Ų161118.2 Ų118.286%0.86174%0.736SS**  trans-15388.9164.8-118.9-25.6000111.8
392S38Very low47Very low127 Ų127117 Ų11789%0.88875%0.746SS**  trans-172.1105.2156-81.30000108.4
393S40.9Very low44.3Very low122 Ų122119.1 Ų119.185%0.85376%0.764SS**  trans-85.4172.2-178.2-119.40000112.1
394P60.9Low42Very low125 Ų125123.3 Ų123.381%0.81279%0.794SS**  trans-86.9162-153.634.5-38.6000115.8
395A31.2Very low40.8Very low97 Ų97121.2 Ų121.280%0.80279%0.793SS**  trans-146.113816400000111.6
396A30.7Very low39.5Very low94 Ų94123.1 Ų123.178%0.77780%0.804SS**  trans40.2124.6167.300000120.2
397S33.7Very low38.4Very low119 Ų119122.4 Ų122.483%0.83281%0.813SS**  cis85.865.527.991.10000117.6
398S34.4Very low37.6Very low124 Ų124124.9 Ų124.987%0.86782%0.819SS**  trans-164.2136.6150.157.30000110.3
399G31.7Very low37.1Very low75 Ų75127 Ų12777%0.77383%0.827SS**  cis125.568-4.900000114.3
400Y32.8Very low36.7Very low228 Ų228127.1 Ų127.189%0.89482%0.821SS**  trans-159.2170.815364.4-92.9000111.1
401E31.9Very low36.6Very low187 Ų187128.2 Ų128.287%0.87483%0.826SS**  trans-99.4175.2-161.8-63.5-17787.800115.7
402S33.3Very low36Very low116 Ų116127.2 Ų127.281%0.81183%0.826SS**  trans-55145171.9-56.30000114.8
403S31.5Very low35.5Very low125 Ų125127 Ų12787%0.87482%0.82SS**  trans-163.3153.1132.1-84.80000112
404T36.1Very low34.8Very low141 Ų141129.7 Ų129.787%0.86582%0.819SS**  trans-92.6173.6-175.617.10000112.7
405P52.7Low33.2Very low113 Ų113128.2 Ų128.273%0.73481%0.807SS**  trans-106.2175.1-145.142.1-40.1000116.1
406P41.1Very low33.1Very low129 Ų129132 Ų13284%0.83881%0.809SS**  -123.2170.4120.637.1-30.8000111.1
407G28.6Very low33Very low67 Ų67131.8 Ų131.869%0.69180%0.801SS**  cis145.3118.8-3.100000111.2
408L30.1Very low32.8Very low170 Ų170133 Ų13389%0.8980%0.798SS**  trans46.8108.9169.6-69.5164.8000118.4
409V31.7Very low32.5Very low145 Ų145132.6 Ų132.688%0.87979%0.791SS**  -176.5151.3102.5-85.70000111.9
410S30.3Very low32.2Very low115 Ų115134.6 Ų134.680%0.80479%0.788SS**  trans-107.4174158.1-54.40000108.1
411P46.4Very low32.1Very low112 Ų112131.4 Ų131.473%0.72779%0.786SS**  cis-132.3-176.10.443.6-28.7000113.7
412T27.2Very low31.9Very low141 Ų141127.9 Ų127.987%0.86578%0.782SS**  -164.5149.612119.60000112
413T28.6Very low32.7Very low122 Ų122128.1 Ų128.175%0.74878%0.78SS**  trans-89.2149.4165.445.50000110.6
414E26.9Very low32.5Very low178 Ų178126.5 Ų126.583%0.83278%0.775SS**  163.1167.6128.1-89.5-175.2178.700110.6
415T26.6Very low32.2Very low94 Ų94125.6 Ų125.658%0.57777%0.774SS**  cis-174.7117.8-44.4-90.30000107.1
416Q28.6Very low31Very low178 Ų178124.6 Ų124.683%0.83278%0.776SS**  trans62.6171.6167.4-58.91673600114.5
417S28.9Very low30.5Very low89 Ų89124 Ų12462%0.62277%0.77SS**  cis-155.5155.97.2-1.90000112.2
418N29.4Very low30.6Very low144 Ų144129.1 Ų129.177%0.7778%0.775SS**  trans65127144-59.4-9.5000120.9
419T27.5Very low30.5Very low116 Ų116126.8 Ų126.871%0.71276%0.763SS**  63.3132.585.6-12.10000112.7
420T27.3Very low30.2Very low116 Ų116126.7 Ų126.771%0.71276%0.764SS**  cis-166.117534.8-380000112.1
421L30.2Very low30.2Very low162 Ų162126.6 Ų126.685%0.84876%0.758SS**  trans89.6130.9156.3-62.1173.8000120.5
422S27.8Very low29.3Very low113 Ų113126.2 Ų126.279%0.7976%0.758SS**  trans-111.7-157.4163.1-36.40000107.3
423P49.2Very low29.4Very low120 Ų120128.4 Ų128.478%0.77976%0.758SS**  cis-141-164.26.244.3-23.9000116
424A27.6Very low29.4Very low92 Ų92128.6 Ų128.676%0.7676%0.764SS**  trans75.1153.8160.300000118.4
425S29.4Very low29.4Very low121 Ų121123.4 Ų123.485%0.84676%0.759SS**  cis-171.9153.9-23.8-94.10000109.5
426A28.8Very low29.5Very low93 Ų93127.4 Ų127.477%0.76978%0.776SS**  cis-131.9-105.7-9.500000111.8
427V30.3Very low29.5Very low117 Ų117124.4 Ų124.471%0.70977%0.774SS**  cis-145.3130.3-2.6146.70000107.8
428H30.5Very low29.5Very low173 Ų173125.6 Ų125.680%0.80178%0.783SS**  trans42.1157.3152.8-67.5-117000122.8
429N26.8Very low29.5Very low121 Ų121126.2 Ų126.265%0.64779%0.786SS**  cis-175.6126.3-29.5177.236.4000108.3
430T26.3Very low29.6Very low144 Ų144130 Ų13088%0.88379%0.793SS**  trans-143.6107.1162.932.20000111.4
431T29.6Very low29.8Very low113 Ų113129.9 Ų129.969%0.69380%0.797SS**  trans-70.4137.4173-51.80000110.8
432S27.4Very low30.1Very low104 Ų104130.6 Ų130.673%0.72780%0.796SS**  trans-67.2130.1174.8540000112.5
433H29.3Very low30.3Very low187 Ų187137.2 Ų137.287%0.86680%0.803SS**  trans-129.3124.5151.3-105.5-86.7000110
434S29.6Very low29.3Very low125 Ų125141.3 Ų141.387%0.87481%0.805SS**  trans-81.8128.1-174.652.10000112
435G25.9Very low30Very low69 Ų69146.5 Ų146.571%0.71183%0.827SS**  trans-152.676.7-176.900000114.6
436L29.9Very low30.1Very low179 Ų179147.8 Ų147.894%0.93783%0.826SS**  trans48.598.1154.5-57.4174.9000118.8
437S28.1Very low30.1Very low115 Ų115150.7 Ų150.780%0.80483%0.829SS**  trans-143.5113.5143.8-172.70000109.8N439S437-N439 PolarHBondContact O-N 3.49Å
438S29.1Very low30.1Very low114 Ų114152.6 Ų152.680%0.79784%0.835SS**  trans-87.6104.4-173.456.30000111.5
439N29.7Very low30.1Very low157 Ų157151.4 Ų151.484%0.8484%0.837SS**  trans-62.3135.3166.1-74.5-44.7000110.5S437S437-N439 PolarHBondContact O-N 3.49Å
440F28.7Very low30.3Very low196 Ų196153.3 Ų153.386%0.8685%0.849SS**  trans-143.3100.9170-149-86.5000110.2
441S31.8Very low30.6Very low113 Ų113153.9 Ų153.979%0.7985%0.847SS**  trans-160.3140174.8-77.70000108.4
442E36.7Very low30.6Very low176 Ų176156.8 Ų156.882%0.82286%0.858SS**  trans65.5151.7-165-45.8-169.5146.100110.3
443W31.1Very low30.9Very low252 Ų252160.8 Ų160.896%0.95587%0.868SS**  cis-106.6168.437.7-74.556.3000115.9
444Y28.8Very low31Very low207 Ų207158.7 Ų158.781%0.81287%0.868SS**  trans-117.9110.7174.1-149.9-75.7000108
445V43.1Very low31.2Very low201 Ų201161.7 Ų161.7100%1.21887%0.868SS**  trans-1430158.7-175.90000106.6

Retrieved 445 of 445 residues in 642.7 ms (Link to these results)