A0A087XWC9_POEFO Loading...

NFATC2-interacting protein

AlphaFold DB , UniProt , Accession A0A087XWC9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 346 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
1M44.2Very low38.7Very low221 Ų221154.9 Ų154.9100%1.08982%0.824SS**  045.30-56.1-94.5-92.400108.4
2Q38.2Very low38.4Very low184 Ų184153.8 Ų153.886%0.8682%0.816SS**  33.486.575.4-76.1-174.44.900113.9
3H40.4Very low37.9Very low188 Ų188155.8 Ų155.887%0.8782%0.822SS**  trans-117.8111.1151.1-82.8-79.9000108.4
4Q40.6Very low37.6Very low163 Ų163150.8 Ų150.876%0.76281%0.813SS**  trans-96.3165.3171.5-172105.129.700107.7
5L41.8Very low37.2Very low165 Ų165151.9 Ų151.986%0.86482%0.819SS**  trans97136160.2-54.4171.8000114.8
6A40.5Very low37Very low84 Ų84150.1 Ų150.169%0.69482%0.815SS**  cis-162.4147.7-3.100000109.6
7L40.3Very low36.8Very low162 Ų162149.4 Ų149.485%0.84882%0.816SS**  trans-65134.8159-78144.5000109.7
8C36.9Very low36.4Very low129 Ų129147.8 Ų147.887%0.87282%0.817SS**  trans-121.895.1156.3-72.70000108.4
9V35.9Very low36.3Very low116 Ų116145.7 Ų145.770%0.70381%0.814SS**  trans-84.5127.8152.7167.70000105.5
10E33.7Very low36.4Very low195 Ų195143.9 Ų143.991%0.91181%0.812SS**  trans-143.2142.7158.7-136.6170.4177.200110.8
11T33.7Very low36.7Very low97 Ų97144.5 Ų144.560%0.59581%0.813SS**  trans-130.1131-157-690000106.6
12I34.9Very low36.6Very low142 Ų142141.7 Ų141.773%0.72880%0.802SS**  trans57.7125.5150.1-57.3167000118.6
13M31.2Very low37.1Very low180 Ų180144.6 Ų144.689%0.88781%0.805SS**  -166.9114.8119.4-72.8-126.2179.500106.6
14A33.6Very low37.2Very low85 Ų85141.6 Ų141.670%0.70280%0.802SS**  60.593.876.800000112.3
15D31.9Very low37.6Very low167 Ų167137.9 Ų137.989%0.89379%0.794SS**  trans-138.7134.2158.2-119-22.6000110.9
16T34.8Very low38.4Very low123 Ų123135.2 Ų135.276%0.75580%0.796SS**  trans-104.4132.2-164.538.20000112
17V32.3Very low39.1Very low139 Ų139139.6 Ų139.684%0.84280%0.799SS**  trans71.3118.4142.4-172.10000118.7
18S30.9Very low40.2Very low120 Ų120143 Ų14384%0.83980%0.801SS**  -156.4123.1124.6-163.50000111.9
19S34.8Very low41.3Very low108 Ų108147.8 Ų147.876%0.75580%0.8SS**  trans-69.7136.9-177.6-123.70000111.7
20S36.8Very low42.6Very low110 Ų110153.9 Ų153.977%0.76981%0.811SS**  trans-135.9121.3151.448.70000110.3L22S20-L22 PolarHBondContact O-N 3.5Å
21D44Very low44Very low156 Ų156150.3 Ų150.383%0.83480%0.797SS**  trans-60.5115.3-177.3-76.5-66.8000112.6
22L42.2Very low45.5Very low162 Ų162151.4 Ų151.485%0.84880%0.8SS**  trans-126.5104.8160.7-68.1176.8000109.1S20 P24S20-L22 PolarHBondContact O-N 3.5Å; L22-P24 WeakPolarHBondContact O-CD 3.49Å
23R47.2Very low46.8Very low246 Ų246149.8 Ų149.893%0.92880%0.798SS**PPolyproline II helixtrans-55.1123.3174.5-67.3175.6178.7176.4-0.8109.9S25R23-S25 PolarHBondContact O-N 2.85Å
24P42.8Very low48.4Very low125 Ų125146.2 Ų146.281%0.81280%0.797SS**PPolyproline II helixtrans-75.4125.1173.128-29.4000109.7L22L22-P24 WeakPolarHBondContact O-CD 3.49Å
25S49.2Very low49.9Very low84 Ų84145.5 Ų145.559%0.58779%0.791SS**PPolyproline II helixtrans-57.5141.1171.553.30000111.1R23 K27R23-S25 PolarHBondContact O-N 2.85Å; S25-K27 WeakPolarHBondContact O-CG 3.34Å; S25-K27 PolarHBondContact O-N 2.99Å
26A57.9Low51.6Low110 Ų110142.9 Ų142.991%0.90978%0.776SS**  trans-53.3105.1-176.300000111.8
27K56.1Low53.3Low175 Ų175142.7 Ų142.776%0.76178%0.775SS**  trans-123.5106.2178.7-74.9173.7-176.3177.20109.6S25S25-K27 WeakPolarHBondContact O-CG 3.34Å; S25-K27 PolarHBondContact O-N 2.99Å
28R63Low55Low235 Ų235141.5 Ų141.589%0.88777%0.77SS**  trans37.9110.6154.1-54.7175.691.2-176.46115.8R30R28-R30 PolarHBondContact O-N 3.44Å
29R61.1Low56.5Low228 Ų228141.5 Ų141.586%0.8676%0.764SS**  trans-45107.7165.9-103.7174.575.5-175.84109.4L31R29-L31 PolarHBondContact O-N 3.42Å
30R62.3Low58.1Low244 Ų244141.5 Ų141.592%0.92176%0.762SS**  trans-70109.7164.2-69.1-167.9176.5-1312.5106.4R28R28-R30 PolarHBondContact O-N 3.44Å
31L64Low59.5Low121 Ų121142.1 Ų142.163%0.63476%0.761SS**  trans-72126.1170.8-99132.9000108.2R29R29-L31 PolarHBondContact O-N 3.42Å
32N64.6Low60.2Low120 Ų120144.2 Ų144.264%0.64276%0.758SS**  trans-65.6126.8172.6-98.2-29.2000109.1A34 A35N32-A34 PolarHBondContact O-N 3.25Å; N32-A35 HydrophobicContact CB-CB 4.16Å; N32-A35 WeakPolarHBondContact O-CB 3.47Å; N32-A35 PolarHBondContact O-N 3.42Å
33P62.8Low61.4Low108 Ų108141.2 Ų141.270%0.70175%0.751SS**G310 helixtrans-64.4-23.9179.825.1-32.9000112.6A35P33-A35 VanDerWaalsContact C-N 3.28Å; P33-A35 PolarHBondContact O-N 3.47Å
34A64.3Low62Low104 Ų104134.9 Ų134.986%0.8675%0.745SS**G310 helixtrans-74.7-12.217400000114.3N32N32-A34 PolarHBondContact O-N 3.25Å
35A65.9Low62.8Low70 Ų70139.6 Ų139.658%0.57975%0.746SS**G310 helixtrans-96.13.217900000113N32 P33 V37N32-A35 HydrophobicContact CB-CB 4.16Å; N32-A35 WeakPolarHBondContact O-CB 3.47Å; N32-A35 PolarHBondContact O-N 3.42Å; P33-A35 VanDerWaalsContact C-N 3.28Å; P33-A35 PolarHBondContact O-N 3.47Å; A35-V37 PolarHBondContact O-N 3.29Å
36I66.4Low63.2Low112 Ų112141.4 Ų141.457%0.57475%0.753SS**  trans-86.8105.4178.6-58.4172.9000107.8P38I36-P38 WeakPolarHBondContact O-CD 3.5Å
37V71.7Confident63Low120 Ų120141.5 Ų141.573%0.72775%0.747SS**  trans-79.3115.8171.9-178.80000107.9A35 V39A35-V37 PolarHBondContact O-N 3.29Å; V37-V39 PolarHBondContact O-N 3.21Å
38P66.5Low63.1Low113 Ų113138.1 Ų138.173%0.73475%0.746SS**PPolyproline II helixtrans-70.4118.5178.327.3-31.2000109.5I36I36-P38 WeakPolarHBondContact O-CD 3.5Å
39V63Low62.8Low120 Ų120131.5 Ų131.573%0.72774%0.736SS**PPolyproline II helixtrans-94.3118.4174-177.80000108V37 V41V37-V39 PolarHBondContact O-N 3.21Å; V39-V41 PolarHBondContact O-N 3.21Å
40P69.1Low62.4Low108 Ų108128.2 Ų128.270%0.70173%0.734SS**PPolyproline II helixtrans-67.5130.2178.125.8-31.3000110.4Y42P40-Y42 VanDerWaalsContact C-N 3.29Å; P40-Y42 PolarHBondContact O-N 3.34Å
41V66.3Low62.1Low124 Ų124125.8 Ų125.875%0.75273%0.733SS**SBendtrans-82.4-5.8-175.6179.70000112.6V39V39-V41 PolarHBondContact O-N 3.21Å
42Y58.4Low61.7Low199 Ų199127.4 Ų127.478%0.7874%0.742SS**SBendtrans-134.1145.6175.4-61.6-77.5000111.3P40 S44P40-Y42 VanDerWaalsContact C-N 3.29Å; P40-Y42 PolarHBondContact O-N 3.34Å; Y42-S44 PolarHBondContact O-N 2.9Å
43S66.5Low60.9Low100 Ų100130.8 Ų130.870%0.69975%0.751SS**  trans-59.5137.7-177.691.70000111.1R45S43-R45 PolarHBondContact O-N 3.05Å
44S60.6Low60.1Low113 Ų113131.3 Ų131.379%0.7975%0.754SS**SBendtrans-68.822.5-179.953.30000114.9Y42Y42-S44 PolarHBondContact O-N 2.9Å
45R59.4Low59.4Low224 Ų224133.5 Ų133.585%0.84576%0.757SS**  trans-93.213-171.8-69.7-142.3179.3-166.92116.1S43S43-R45 PolarHBondContact O-N 3.05Å
46V57.3Low58.4Low122 Ų122134.1 Ų134.174%0.73976%0.762SS**  trans-14384.6167.4-163.20000110.1
47S54Low57.4Low111 Ų111134.5 Ų134.578%0.77677%0.773SS**  trans-114.549.317764.80000111.6
48S57.8Low56.1Low105 Ų105137 Ų13773%0.73478%0.782SS**  trans-171.970.617458.70000113
49S56.3Low55Low96 Ų96140.4 Ų140.467%0.67179%0.793SS**SBendtrans-150.621.2169.7-52.70000116.3
50L52.4Low53.5Low159 Ų159138.4 Ų138.483%0.83280%0.796SS**  trans-146.785.7165.1-69.4178.4000109.8L52L50-L52 PolarHBondContact O-N 2.8Å
51Q56.8Low51.7Low193 Ų193137 Ų13790%0.90280%0.802SS**  trans-82.192.3165.3-70.6-173.4-1.500108.4
52L56.4Low50.2Low155 Ų155142.9 Ų142.981%0.81281%0.81SS**  trans-84.2114.5165-66.9174.1000107.7L50 P54L50-L52 PolarHBondContact O-N 2.8Å; L52-P54 WeakPolarHBondContact O-CD 3.47Å
53K47.4Very low49Very low191 Ų191141.9 Ų141.983%0.8381%0.813SS**  trans-67.2125.1173.5-69.7177.81771750108.6T55K53-T55 PolarHBondContact O-N 3Å
54P46.4Very low47.4Very low118 Ų118142.3 Ų142.377%0.76682%0.816SS**  trans-74.6117.317326.9-27.8000109.5L52 A56L52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-A56 VanDerWaalsContact C-N 3.29Å; P54-A56 PolarHBondContact O-N 3.42Å
55T47.8Very low46.2Very low151 Ų151142.1 Ų142.193%0.92682%0.815SS**  trans-77.184.3167.2-50.80000108.4K53K53-T55 PolarHBondContact O-N 3Å
56A46.5Very low45Very low82 Ų82139.1 Ų139.168%0.67882%0.815SS**  trans-126.490.416800000107.8P54P54-A56 VanDerWaalsContact C-N 3.29Å; P54-A56 PolarHBondContact O-N 3.42Å
57C44.7Very low44Very low120 Ų120140.5 Ų140.581%0.81182%0.818SS**  trans-175.974.2162.2-93.10000109
58L43.7Very low43Very low173 Ų173138.2 Ų138.291%0.90681%0.812SS**  trans-156.953.4156.4-79.8-169.5000110.5
59L45.1Very low42Very low185 Ų185137 Ų13797%0.96982%0.816SS**  trans-142.592.2158.3-73.5179.8000107.5
60G30.5Very low41.3Very low77 Ų77140 Ų14079%0.79483%0.825SS**  trans-168.781.9-178.900000111.1
61G31.6Very low40.9Very low80 Ų80141.3 Ų141.383%0.82583%0.827SS**  trans59.6113.8148.300000119.2
62R33.6Very low40.3Very low247 Ų247137.2 Ų137.293%0.93282%0.819SS**  -155.2132.8125.5-160.3150.4165.4-166.3-7.3111.9
63E33.5Very low39.6Very low177 Ų177137.8 Ų137.883%0.82782%0.822SS**  trans-84156.4177.4-17.3-179.1118.300109.3
64S33.6Very low39.2Very low110 Ų110141.3 Ų141.377%0.76983%0.831SS**  trans83.4125.4164.987.60000120
65S34.7Very low38.8Very low109 Ų109140.2 Ų140.276%0.76283%0.832SS**  trans103.498.6141.4-52.90000117.5
66D34.7Very low38.2Very low160 Ų160141.5 Ų141.586%0.85683%0.827SS**  56.4140.2118.3-150.729.6000121
67D37.3Very low37.3Very low151 Ų151147.9 Ų147.981%0.80784%0.84SS**  trans89.3131.3158.7-154.147.1000121
68G33.1Very low36.8Very low63 Ų63148.4 Ų148.465%0.64984%0.835SS**  trans75.9109135.200000118.3
69G36.3Very low36.5Very low79 Ų79146 Ų14681%0.81483%0.83SS**  trans-76.2164.2-178.900000116.3
70D42.3Very low35.9Very low159 Ų159147.9 Ų147.985%0.8582%0.824SS**  trans-163.1132.214149.615.9000110.9
71E43.1Very low36.2Very low188 Ų188155.5 Ų155.588%0.87983%0.829SS**  trans-72.2124.8157.5-73.2-161.3100.200108.6
72S44.1Very low36.8Very low106 Ų106157.2 Ų157.274%0.74183%0.825SS**  trans161.495.7142.4-82.70000111.6
73L41.7Very low36.8Very low168 Ų168150.3 Ų150.388%0.8882%0.821SS**  trans-131.844163.9-74.6177.8000111.8
74W39.5Very low36.8Very low264 Ų264147.9 Ų147.9100%182%0.818SS**  trans-132.234171.7-71.2112.7000113.5
75A37.8Very low36.9Very low96 Ų96148.8 Ų148.879%0.79382%0.819SS**  trans-116.771.8-179.200000112.4
76E34.5Very low36.9Very low177 Ų177151.8 Ų151.883%0.82782%0.82SS**  trans-158.767.8152.7-154.1166-169.800112.9
77F28.9Very low36.8Very low216 Ų216152.1 Ų152.195%0.94782%0.821SS**  trans-146.8104.1149.5-91.1-76.1000108.9
78N33.8Very low36.6Very low132 Ų132150.2 Ų150.271%0.70682%0.82SS**  trans-126.5125.8171.4-150.1-11.8000107
79P37.1Very low36.3Very low122 Ų122154.4 Ų154.479%0.79283%0.828SS**  trans-127.4127.3132.128.8-16.5000111.2R81P79-R81 PolarHBondContact O-N 3Å
80R33.1Very low36.2Very low224 Ų224155 Ų15585%0.84582%0.819SS**  trans-63.9122.5172.3-69171.3165.3160-4.8110.7
81R37Very low35.6Very low238 Ų238155.9 Ų155.990%0.89882%0.818SS**  trans24.6165.6134.9-74.5-171.3172.8-165.9-1.7120.9P79P79-R81 PolarHBondContact O-N 3Å
82P44.2Very low35.1Very low116 Ų116155.3 Ų155.375%0.75382%0.815SS**  cis-135.2165.6-46.737.7-20.5000111.8
83A31.9Very low34.8Very low102 Ų102158 Ų15884%0.84382%0.816SS**  trans-133.6119161.900000109.4
84V34.2Very low34.6Very low126 Ų126155.9 Ų155.976%0.76481%0.812SS**  trans-77.4125.3177.2172.70000108.5
85V36.6Very low34.3Very low129 Ų129151.5 Ų151.578%0.78280%0.803SS**  trans-145.996.1152-171.80000107.4
86E33.3Very low34.4Very low171 Ų171152.2 Ų152.280%0.79980%0.799SS**  trans-72.9134.7153.8-69.2-172.7147.500107.9
87L33.8Very low34.1Very low167 Ų167147.7 Ų147.787%0.87480%0.8SS**  trans-150.2102146.3-75-174000108.9
88S32.4Very low34.2Very low111 Ų111148.2 Ų148.278%0.77680%0.796SS**  trans-85.3137.9154.8176.70000107.7
89D27.7Very low34Very low152 Ų152151.4 Ų151.481%0.81380%0.804SS**  trans-157.9142.8146.3-149.44000112.5
90S33.5Very low33.6Very low90 Ų90156.2 Ų156.263%0.62981%0.806SS**  trans-95.8-174.3-175-78.80000111.3
91E30.3Very low33.5Very low178 Ų178150.2 Ų150.283%0.83280%0.799SS**  trans83.2144154.2-41.6-164.7133.300115.1
92E31.8Very low33.3Very low177 Ų177148.5 Ų148.583%0.82780%0.798SS**  cis-174.6151.8-6.6167.4169.891.600104.9
93E38Very low33Very low162 Ų162149.4 Ų149.476%0.75780%0.803SS**  trans-58.7160.1174.7-77-95.2114.400113.2
94P36.4Very low33Very low123 Ų123148.6 Ų148.680%0.79980%0.797SS**  -135.2137.7129.529.5-14.4000115.4
95E33.3Very low32.8Very low173 Ų173150.5 Ų150.581%0.80880%0.798SS**  trans-53.9166.6171.2-85.3-106.113600116.5
96P39.9Very low32.5Very low110 Ų110151.4 Ų151.471%0.71480%0.798SS**  trans-92.4139-166.135.4-31.6000114.7
97G29.4Very low32.5Very low82 Ų82150.8 Ų150.885%0.84580%0.795SS**  trans-113.399.8178.200000114.5
98R29.5Very low32.5Very low228 Ų228151.5 Ų151.586%0.8680%0.799SS**  trans-15.3143.1161.3-65.1173.1172.1-150.8-2.5119.2
99F29.4Very low32.4Very low198 Ų198150 Ų15087%0.86880%0.801SS**  -177.695.3117.7-99.2-75.1000108.9
100R29.9Very low32.7Very low223 Ų223152.2 Ų152.284%0.84281%0.806SS**  72.7110.396.6-147.5-168.8-179.6-172.2-0.7116.1
101S31.6Very low32.9Very low98 Ų98153 Ų15369%0.68582%0.817SS**  trans70113.1144.5520000122.5
102K31.2Very low32.9Very low203 Ų203148 Ų14888%0.88381%0.814SS**  14.2152.4127.1-62.2-176.6179.5-179.30118.2
103P38.8Very low33.2Very low134 Ų134145.3 Ų145.387%0.8781%0.813SS**  cis-144.1-169.431.237.2-13.7000116
104A31.6Very low33.7Very low85 Ų85143.9 Ų143.970%0.70282%0.818SS**  trans-82.6172.8-174.700000115.7
105E29.6Very low34Very low167 Ų167143.2 Ų143.278%0.7882%0.817SS**  trans70.1112.2160.4-76.4177.710300118.7
106N31Very low35.1Very low147 Ų147140.3 Ų140.379%0.78681%0.813SS**  -173.7156.388.6-114-31.2000113.8
107Q33Very low36.1Very low159 Ų159140.5 Ų140.574%0.74381%0.814SS**  trans-74.1155.4-170.9-57.4164.535.700113.9
108L33.8Very low37.3Very low181 Ų181142 Ų14295%0.94881%0.809SS**  trans142.5135.1134.4-80.5151.8000112.6
109G31.3Very low38.4Very low80 Ų80137.1 Ų137.183%0.82581%0.806SS**  trans131.885.414900000117.6
110H32.6Very low39.4Very low199 Ų199136.6 Ų136.692%0.92181%0.807SS**  trans-31.2136.3160.2-102.450.6000118.5
111A39.2Very low40.6Very low105 Ų105130.5 Ų130.587%0.86880%0.799SS**  159.7125125.900000107.6
112G30.5Very low41.3Very low74 Ų74131.3 Ų131.376%0.76380%0.801SS**  cis145.389.319.100000106.8
113C37.9Very low42.4Very low120 Ų120127.8 Ų127.881%0.81180%0.797SS**  trans-138103.5160.1-83.50000106.2S115C113-S115 PolarHBondContact O-N 3.39Å; C113-S115 VanDerWaalsContact O-N 3.13Å
114P48.6Very low43.3Very low133 Ų133128.4 Ų128.486%0.86479%0.788SS**  trans-73.8108.9-179.628.9-30.5000108.6
115S42.6Very low44.5Very low109 Ų109133.8 Ų133.876%0.76280%0.795SS**PPolyproline II helixtrans-66136.5161.9-65.20000108.3C113C113-S115 PolarHBondContact O-N 3.39Å; C113-S115 VanDerWaalsContact O-N 3.13Å
116P54.9Low46.1Very low112 Ų112130.5 Ų130.573%0.72778%0.78SS**PPolyproline II helixtrans-61.1146.1-177.125.1-33.3000110.7
117P61.1Low48.1Very low114 Ų114126.7 Ų126.774%0.7477%0.765SS**PPolyproline II helixtrans-59.5146.9175.625.5-32.9000110.2
118P55.6Low49.9Very low114 Ų114123.8 Ų123.874%0.7476%0.762SS**PPolyproline II helixtrans-56.9143.5176.624.3-32.6000109.7E120P118-E120 PolarHBondContact O-N 3.05Å
119P52.6Low51.8Low124 Ų124123 Ų12381%0.80575%0.751SS**PPolyproline II helixtrans-56.2127.4-178.122.6-32.1000109.5S121P119-S121 PolarHBondContact O-N 3.28Å
120E49.8Very low54Low187 Ų187120.9 Ų120.987%0.87473%0.726SS**  trans-54.3109.7172-69.6-173138.200107.9P118P118-E120 PolarHBondContact O-N 3.05Å
121S55.1Low56.3Low96 Ų96119.7 Ų119.767%0.67171%0.713SS**  trans-50130.8169.251.60000107.6P119 V123P119-S121 PolarHBondContact O-N 3.28Å; S121-V123 PolarHBondContact O-N 3.04Å
122P47.5Very low58.4Low114 Ų114123.1 Ų123.174%0.7470%0.704SS**  trans-54.9122.1-17421.4-31.4000108Q124P122-Q124 PolarHBondContact O-N 2.93Å
123V54.3Low61.2Low130 Ų130126.5 Ų126.579%0.78870%0.697SS**  trans-53.995.8175.4175.70000106.7S121 K125S121-V123 PolarHBondContact O-N 3.04Å; V123-K125 VanDerWaalsContact C-N 3.3Å; V123-K125 PolarHBondContact O-N 2.69Å
124Q56.3Low63.5Low147 Ų147124.6 Ų124.669%0.68768%0.678SS**  trans-64100.5175.3-86.3-174-11.400105.1P122 Q126P122-Q124 PolarHBondContact O-N 2.93Å; Q124-Q126 HydrophobicContact CB-CG 4.45Å; Q124-Q126 PolarHBondContact O-N 2.82Å; Q124-Q126 VanDerWaalsContact OE1-NE2 3.12Å
125K58.2Low65.2Low198 Ų198121.3 Ų121.386%0.86166%0.659SS**  trans-61.982.1161.1-72.9-177.4-179.9176.60106.3V123 S127V123-K125 VanDerWaalsContact C-N 3.3Å; V123-K125 PolarHBondContact O-N 2.69Å; K125-S127 PolarHBondContact O-N 3.36Å
126Q62.1Low67.5Low97 Ų97121.4 Ų121.445%0.45365%0.647SS.*  trans-54109.4175.1-74.6-90.5-26.300106.2Q124 S128 R131Q124-Q126 HydrophobicContact CB-CG 4.45Å; Q124-Q126 PolarHBondContact O-N 2.82Å; Q124-Q126 VanDerWaalsContact OE1-NE2 3.12Å; Q126-S128 PolarHBondContact O-N 2.97Å; Q126-R131 HydrophobicContact CB-CG 4.06Å
127S73.5Confident69.2Low67 Ų67120.8 Ų120.847%0.46964%0.637SS.*  trans-45.8130.3-179.6165.10000109.2K125 K129 A130 R131K125-S127 PolarHBondContact O-N 3.36Å; S127-K129 PolarHBondContact O-N 3.32Å; S127-K129 PolarHBondContact OG-N 3.24Å; S127-A130 WeakPolarHBondContact O-CA 3.4Å; S127-A130 WeakPolarHBondContact O-CB 3.37Å; S127-A130 PolarHBondContact O-N 3.39Å; S127-R131 PolarHBondContact O-N 3.41Å
128S70.1Confident70.4Confident99 Ų99119.3 Ų119.369%0.69262%0.623SS**Hα-helixtrans-54-29.8178.457.60000111.7Q126 R132Q126-S128 PolarHBondContact O-N 2.97Å; S128-R132 WeakPolarHBondContact O-CB 3.26Å; S128-R132 PolarHBondContact O-N 3.12Å
129K73.3Confident72.1Confident163 Ų163121.8 Ų121.871%0.70962%0.622SS**Hα-helixtrans-66.6-40.7172-69-177.4176178.50112.7S127 R132 K133S127-K129 PolarHBondContact O-N 3.32Å; S127-K129 PolarHBondContact OG-N 3.24Å; K129-R132 PolarHBondContact O-N 2.92Å; K129-K133 WeakPolarHBondContact O-CG 3.22Å; K129-K133 PolarHBondContact O-N 2.92Å
130A77.8Confident73.8Confident36 Ų36123.7 Ų123.730%0.29862%0.617SS.*Hα-helixtrans-66.1-45.9176.200000111S127 R132 K133 I134S127-A130 WeakPolarHBondContact O-CA 3.4Å; S127-A130 WeakPolarHBondContact O-CB 3.37Å; S127-A130 PolarHBondContact O-N 3.39Å; A130-R132 VanDerWaalsContact C-N 3.29Å; A130-R132 PolarHBondContact O-N 3.23Å; A130-K133 PolarHBondContact O-N 2.86Å; A130-I134 WeakPolarHBondContact O-CB 3.45Å; A130-I134 WeakPolarHBondContact O-CD1 3.36Å; A130-I134 VanDerWaalsContact O-CG1 3.22Å; A130-I134 WeakPolarHBondContact O-CG1 3.3Å; A130-I134 PolarHBondContact O-N 3Å
131R80.4Confident75.5Confident174 Ų174119.7 Ų119.766%0.65760%0.601SS**Hα-helixtrans-60.1-39175.3-68.7-177.671.1-171.52.9112.1Q126 S127 S135Q126-R131 HydrophobicContact CB-CG 4.06Å; S127-R131 PolarHBondContact O-N 3.41Å; R131-S135 VanDerWaalsContact O-CB 3.3Å; R131-S135 WeakPolarHBondContact O-CB 3.48Å; R131-S135 PolarHBondContact O-N 2.84Å; R131-S135 PolarHBondContact O-OG 3.21Å
132R84.3Confident76.9Confident178 Ų178124.1 Ų124.167%0.67260%0.603SS**Hα-helixtrans-65.2-45.3176.5-164173.2179.3-178.10.2111.7S128 K129 A130 S135 E136S128-R132 WeakPolarHBondContact O-CB 3.26Å; S128-R132 PolarHBondContact O-N 3.12Å; K129-R132 PolarHBondContact O-N 2.92Å; A130-R132 VanDerWaalsContact C-N 3.29Å; A130-R132 PolarHBondContact O-N 3.23Å; R132-S135 WeakPolarHBondContact CA-OG 3.47Å; R132-S135 PolarHBondContact O-N 2.68Å; R132-S135 PolarHBondContact O-OG 3.34Å; R132-E136 PolarHBondContact O-N 2.92Å
133K88.4Confident78.4Confident144 Ų144121.4 Ų121.463%0.62659%0.591SS**Hα-helixtrans-63.1-44.7175.1-74.5-167.6175.1-167.90112.5K129 A130 S135 E136 I137K129-K133 WeakPolarHBondContact O-CG 3.22Å; K129-K133 PolarHBondContact O-N 2.92Å; A130-K133 PolarHBondContact O-N 2.86Å; K133-S135 VanDerWaalsContact C-N 3.27Å; K133-S135 PolarHBondContact O-N 3.32Å; K133-E136 PolarHBondContact O-N 3.2Å; K133-I137 VanDerWaalsContact O-CG1 3.26Å; K133-I137 WeakPolarHBondContact O-CG1 3.35Å; K133-I137 PolarHBondContact O-N 2.69Å
134I87Confident79.5Confident80 Ų80119.2 Ų119.241%0.4158%0.577SS.*Hα-helixtrans-61.2-39.5175.7-66.1162.8000110.1A130 I137 N138A130-I134 WeakPolarHBondContact O-CB 3.45Å; A130-I134 WeakPolarHBondContact O-CD1 3.36Å; A130-I134 VanDerWaalsContact O-CG1 3.22Å; A130-I134 WeakPolarHBondContact O-CG1 3.3Å; A130-I134 PolarHBondContact O-N 3Å; I134-I137 PolarHBondContact O-N 3.49Å; I134-N138 VanDerWaalsContact O-CB 3.29Å; I134-N138 WeakPolarHBondContact O-CB 3.33Å; I134-N138 VanDerWaalsContact O-CG 3.3Å; I134-N138 PolarHBondContact O-N 2.88Å; I134-N138 PolarHBondContact O-ND2 3.07Å
135S85.1Confident80.3Confident65 Ų65115.1 Ų115.146%0.45557%0.565SS.*Hα-helixtrans-68.5-36.2177.173.50000113.4R131 R132 K133 K139R131-S135 VanDerWaalsContact O-CB 3.3Å; R131-S135 WeakPolarHBondContact O-CB 3.48Å; R131-S135 PolarHBondContact O-N 2.84Å; R131-S135 PolarHBondContact O-OG 3.21Å; R132-S135 WeakPolarHBondContact CA-OG 3.47Å; R132-S135 PolarHBondContact O-N 2.68Å; R132-S135 PolarHBondContact O-OG 3.34Å; K133-S135 VanDerWaalsContact C-N 3.27Å; K133-S135 PolarHBondContact O-N 3.32Å; S135-K139 WeakPolarHBondContact O-CB 3.42Å; S135-K139 PolarHBondContact O-N 2.8Å
136E90.6Very high80.9Confident111 Ų111109.1 Ų109.152%0.51955%0.553SS.*Hα-helixtrans-67.7-42.6173.9-82.9176174.800111.6R132 K133 K139 K140R132-E136 PolarHBondContact O-N 2.92Å; K133-E136 PolarHBondContact O-N 3.2Å; E136-K139 PolarHBondContact O-N 3.28Å; E136-K140 PolarHBondContact O-N 3.3Å
137I90.8Very high81.2Confident98 Ų98110.5 Ų110.550%0.50357%0.567SS.*Hα-helixtrans-63.2-47.6175.4-66.5164.2000109.8K133 I134 K139 K140 L141K133-I137 VanDerWaalsContact O-CG1 3.26Å; K133-I137 WeakPolarHBondContact O-CG1 3.35Å; K133-I137 PolarHBondContact O-N 2.69Å; I134-I137 PolarHBondContact O-N 3.49Å; I137-K139 VanDerWaalsContact C-N 3.26Å; I137-K139 PolarHBondContact O-N 3.1Å; I137-K140 PolarHBondContact O-N 3.26Å; I137-K140 VanDerWaalsContact O-N 3.1Å; I137-L141 HydrophobicContact CG2-CD1 3.9Å; I137-L141 HydrophobicContact CG2-CG 4.21Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 3.45Å
138N86.5Confident80.8Confident84 Ų84113.9 Ų113.945%0.44958%0.579SS.*Hα-helixtrans-62.3-32.3176.4-78.3-21.2000112.7I134 R142I134-N138 VanDerWaalsContact O-CB 3.29Å; I134-N138 WeakPolarHBondContact O-CB 3.33Å; I134-N138 VanDerWaalsContact O-CG 3.3Å; I134-N138 PolarHBondContact O-N 2.88Å; I134-N138 PolarHBondContact O-ND2 3.07Å; N138-R142 WeakPolarHBondContact O-CB 3.29Å; N138-R142 PolarHBondContact O-N 2.95Å
139K89.6Confident79.9Confident165 Ų165112.8 Ų112.872%0.71757%0.572SS**Hα-helixtrans-68.4-42173.4-170.9179.1178.6-175.50111.3S135 E136 I137 R142 A143S135-K139 WeakPolarHBondContact O-CB 3.42Å; S135-K139 PolarHBondContact O-N 2.8Å; E136-K139 PolarHBondContact O-N 3.28Å; I137-K139 VanDerWaalsContact C-N 3.26Å; I137-K139 PolarHBondContact O-N 3.1Å; K139-R142 PolarHBondContact O-N 2.93Å; K139-A143 PolarHBondContact O-N 2.95Å
140K88.4Confident78.9Confident164 Ų164111.1 Ų111.171%0.71358%0.578SS**Hα-helixtrans-65.1-44.1173.9-79.1-173.3172.8-170.20112E136 I137 R142 A143 V144E136-K140 PolarHBondContact O-N 3.3Å; I137-K140 PolarHBondContact O-N 3.26Å; I137-K140 VanDerWaalsContact O-N 3.1Å; K140-R142 VanDerWaalsContact C-N 3.31Å; K140-R142 PolarHBondContact O-N 2.91Å; K140-A143 WeakPolarHBondContact O-CB 3.43Å; K140-A143 PolarHBondContact O-N 2.84Å; K140-A143 VanDerWaalsContact O-N 3.12Å; K140-V144 WeakPolarHBondContact O-CG2 3.42Å; K140-V144 PolarHBondContact O-N 2.84Å
141L87.1Confident77.2Confident103 Ų103117.7 Ų117.754%0.53960%0.602SS.*Hα-helixtrans-62.5-38.6176.8-69.4175.4000111.6I137 A143 V144 S145I137-L141 HydrophobicContact CG2-CD1 3.9Å; I137-L141 HydrophobicContact CG2-CG 4.21Å; I137-L141 WeakPolarHBondContact O-CG 3.44Å; I137-L141 PolarHBondContact O-N 3.45Å; L141-A143 VanDerWaalsContact C-N 3.35Å; L141-V144 PolarHBondContact O-N 3.42Å; L141-S145 PolarHBondContact O-N 3.43Å; L141-S145 PolarHBondContact O-OG 2.82Å
142R82.7Confident75.4Confident189 Ų189114.6 Ų114.671%0.71360%0.604SS**Hα-helixtrans-65.7-34.9172.7-84.2-156-86.8-156.3-4.4113.7N138 K139 K140 S145 A146N138-R142 WeakPolarHBondContact O-CB 3.29Å; N138-R142 PolarHBondContact O-N 2.95Å; K139-R142 PolarHBondContact O-N 2.93Å; K140-R142 VanDerWaalsContact C-N 3.31Å; K140-R142 PolarHBondContact O-N 2.91Å; R142-S145 WeakPolarHBondContact CA-OG 3.36Å; R142-S145 PolarHBondContact O-OG 3.3Å; R142-A146 WeakPolarHBondContact O-CB 3.46Å; R142-A146 PolarHBondContact O-N 3.42Å; R142-A146 VanDerWaalsContact O-N 3.07Å
143A80.1Confident73.6Confident58 Ų58112 Ų11248%0.47961%0.611SS.*Hα-helixtrans-66.5-41.6173.300000111.1K139 K140 L141 A146 V147K139-A143 PolarHBondContact O-N 2.95Å; K140-A143 WeakPolarHBondContact O-CB 3.43Å; K140-A143 PolarHBondContact O-N 2.84Å; K140-A143 VanDerWaalsContact O-N 3.12Å; L141-A143 VanDerWaalsContact C-N 3.35Å; A143-A146 PolarHBondContact O-N 3.12Å; A143-V147 WeakPolarHBondContact O-CG2 3.27Å; A143-V147 PolarHBondContact O-N 3.45Å
144V77.3Confident71.1Confident83 Ų83112.4 Ų112.450%0.50362%0.62SS.*Hα-helixtrans-66-41.9175.6174.80000111.5K140 L141 A146 V147 L148K140-V144 WeakPolarHBondContact O-CG2 3.42Å; K140-V144 PolarHBondContact O-N 2.84Å; L141-V144 PolarHBondContact O-N 3.42Å; V144-A146 VanDerWaalsContact C-N 3.26Å; V144-A146 PolarHBondContact O-N 3.07Å; V144-V147 PolarHBondContact O-N 2.97Å; V144-V147 VanDerWaalsContact O-N 3.13Å; V144-L148 HydrophobicContact CG1-CD1 3.89Å; V144-L148 WeakPolarHBondContact O-CG 3.43Å; V144-L148 PolarHBondContact O-N 2.92Å; V144-L148 VanDerWaalsContact O-N 3.15Å
145S73.6Confident68.6Low62 Ų62115.7 Ų115.743%0.43463%0.633SS.*Hα-helixtrans-64.8-31.2176.767.30000112.6L141 R142 V147 L148 S149L141-S145 PolarHBondContact O-N 3.43Å; L141-S145 PolarHBondContact O-OG 2.82Å; R142-S145 WeakPolarHBondContact CA-OG 3.36Å; R142-S145 PolarHBondContact O-OG 3.3Å; S145-V147 VanDerWaalsContact C-N 3.3Å; S145-V147 PolarHBondContact O-N 3.13Å; S145-L148 PolarHBondContact O-N 2.84Å; S145-S149 VanDerWaalsContact O-CB 3.27Å; S145-S149 WeakPolarHBondContact O-CB 3.48Å; S145-S149 PolarHBondContact O-N 2.8Å; S145-S149 VanDerWaalsContact O-N 3.09Å
146A70.2Confident66.5Low72 Ų72123.1 Ų123.160%0.59565%0.651SS**Hα-helixtrans-69.6-26.117500000113.1R142 A143 V144R142-A146 WeakPolarHBondContact O-CB 3.46Å; R142-A146 PolarHBondContact O-N 3.42Å; R142-A146 VanDerWaalsContact O-N 3.07Å; A143-A146 PolarHBondContact O-N 3.12Å; V144-A146 VanDerWaalsContact C-N 3.26Å; V144-A146 PolarHBondContact O-N 3.07Å
147V69.1Low63.9Low126 Ų126124.8 Ų124.876%0.76467%0.669SS**Hα-helixtrans-81.6-28.2174.8-179.70000111.4A143 V144 S145A143-V147 WeakPolarHBondContact O-CG2 3.27Å; A143-V147 PolarHBondContact O-N 3.45Å; V144-V147 PolarHBondContact O-N 2.97Å; V144-V147 VanDerWaalsContact O-N 3.13Å; S145-V147 VanDerWaalsContact C-N 3.3Å; S145-V147 PolarHBondContact O-N 3.13Å
148L65.6Low61.6Low137 Ų137125.1 Ų125.172%0.71768%0.68SS**Hα-helixtrans-90.2-10-179-66.7172.4000114.2V144 S145V144-L148 HydrophobicContact CG1-CD1 3.89Å; V144-L148 WeakPolarHBondContact O-CG 3.43Å; V144-L148 PolarHBondContact O-N 2.92Å; V144-L148 VanDerWaalsContact O-N 3.15Å; S145-L148 PolarHBondContact O-N 2.84Å
149S51.2Low59.3Low76 Ų76132.8 Ų132.853%0.53170%0.703SS.*  trans-112104.8-177.4-156.50000110.2S145 E151S145-S149 VanDerWaalsContact O-CB 3.27Å; S145-S149 WeakPolarHBondContact O-CB 3.48Å; S145-S149 PolarHBondContact O-N 2.8Å; S145-S149 VanDerWaalsContact O-N 3.09Å; S149-E151 PolarHBondContact O-N 3.5Å; S149-E151 VanDerWaalsContact O-N 3.13Å
150P50.8Low56.8Low129 Ų129135.1 Ų135.184%0.83871%0.707SS**  trans-79.894.5174.530.9-28.7000108.5
151E43.5Very low54.4Low174 Ų174137.6 Ų137.681%0.81371%0.712SS**  trans-94.6131.3166.8-158.7173.3146.300109.3S149S149-E151 PolarHBondContact O-N 3.5Å; S149-E151 VanDerWaalsContact O-N 3.13Å
152P42.3Very low52Low108 Ų108139.9 Ų139.970%0.70173%0.725SS**  trans-71.3156.4-173.827.8-33.6000112.7D154P152-D154 PolarHBondContact O-N 3.13Å
153P46.6Very low49.7Very low124 Ų124141.6 Ų141.681%0.80573%0.731SS**  trans-85.6106.6-169.932.7-31.3000111.6
154D34.3Very low47.6Very low152 Ų152149.6 Ų149.681%0.81375%0.749SS**  trans-102.6105162.4-95.4-31.3000112.6P152P152-D154 PolarHBondContact O-N 3.13Å
155Q35.6Very low45.7Very low149 Ų149152.3 Ų152.370%0.69676%0.761SS**  trans26.4117.3140.8-62.5-174.227.300120
156R40.2Very low44Very low222 Ų222158.2 Ų158.284%0.83878%0.781SS**  62.7103.8128.2-62.5177.6170.8-168.6-1.4117
157T36.3Very low42.8Very low145 Ų145166.7 Ų166.789%0.8980%0.798SS**  -131.1107.7128.851.70000111
158S41.9Very low41.3Very low105 Ų105165.9 Ų165.973%0.73480%0.798SS**  trans-67.1132.116167.40000109
159R38.7Very low40.2Very low245 Ų245165.4 Ų165.493%0.92580%0.796SS**  trans-171.397.8143.3-99.9157.3-163.5-158.77.8111.2
160R38.4Very low40Very low215 Ų215167.8 Ų167.881%0.81181%0.809SS**  trans36.1115.1131.4-94.2-178.7173.3-176-0.4118.5
161R37.3Very low39.9Very low216 Ų216167.2 Ų167.282%0.81580%0.804SS**  156.611794.9-100.3169.8176.7179-0.5112.9
162N35.6Very low40.1Very low150 Ų150165.5 Ų165.580%0.80280%0.8SS**  63.5114.5124-136.818.5000120.9
163R35.7Very low40.6Very low225 Ų225167.8 Ų167.885%0.84981%0.807SS**  trans155.2107.5130.6-88.6173.4174.2-177-1109.5
164R36.4Very low41.1Very low226 Ų226165.2 Ų165.285%0.85379%0.792SS**  85111.188.8-163177.7-164.4171.14.5112.2
165N37.5Very low42.2Very low140 Ų140165.4 Ų165.475%0.74979%0.793SS**  trans46.4121.5160.5-75.77.8000119.1
166Q36.8Very low43.5Very low186 Ų186165.1 Ų165.187%0.86980%0.796SS**  -165.6135112.5-102.6161.899.200112
167R44.7Very low44.7Very low251 Ų251160.2 Ų160.295%0.94779%0.791SS**  trans-73.5132.6163.9-76.8175.4166.8-160.2-4.2108.6
168S38.8Very low46.1Very low108 Ų108160.2 Ų160.276%0.75578%0.783SS**  trans164.6136.1163.143.20000105.8
169D41.6Very low46.9Very low128 Ų128161.5 Ų161.568%0.68478%0.781SS**  cis-179.6130.9-0.4-171.54.2000101.5T171D169-T171 PolarHBondContact O-N 3.33Å; D169-T171 VanDerWaalsContact O-N 3.12Å
170P47.3Very low47.7Very low125 Ų125157.9 Ų157.981%0.81278%0.776SS**  trans-89.880.3-175.534.8-27.6000109.4
171T47.8Very low48.5Very low117 Ų117151.5 Ų151.572%0.71877%0.765SS**  trans-12762.9158.246.30000108.1D169 D173D169-T171 PolarHBondContact O-N 3.33Å; D169-T171 VanDerWaalsContact O-N 3.12Å; T171-D173 VanDerWaalsContact C-N 3.32Å; T171-D173 PolarHBondContact O-N 3.35Å
172D47.7Very low49.4Very low139 Ų139146.5 Ų146.574%0.74376%0.76SS**  trans-83.587.8160.7-164.544.6000105.7S174D172-S174 PolarHBondContact O-N 3.33Å; D172-S174 PolarHBondContact O-OG 3.07Å; D172-S174 PolarHBondContact OD2-OG 3.09Å
173D54.2Low50.2Low155 Ų155143.7 Ų143.783%0.82976%0.758SS**  trans-65.784.5158.7-98.2-42.6000105.7T171 D175T171-D173 VanDerWaalsContact C-N 3.32Å; T171-D173 PolarHBondContact O-N 3.35Å; D173-D175 PolarHBondContact O-N 3.49Å; D173-D175 VanDerWaalsContact O-N 3.07Å
174S56Low51.3Low71 Ų71141.2 Ų141.250%0.49776%0.762SS.*  trans-61.5108.1167.3-410000106.3D172 D176D172-S174 PolarHBondContact O-N 3.33Å; D172-S174 PolarHBondContact O-OG 3.07Å; D172-S174 PolarHBondContact OD2-OG 3.09Å; S174-D176 PolarHBondContact O-N 2.95Å
175D58.3Low52.1Low156 Ų156134 Ų13483%0.83476%0.757SS**  trans-57.393.8164-82.8-43000107.2D173 V177D173-D175 PolarHBondContact O-N 3.49Å; D173-D175 VanDerWaalsContact O-N 3.07Å; D175-V177 VanDerWaalsContact C-N 3.28Å; D175-V177 PolarHBondContact O-N 3.46Å
176D62.4Low52.8Low142 Ų142130.7 Ų130.776%0.75975%0.745SS**  trans-64.291.8173.8-76.1-30.2000108.2S174 I178S174-D176 PolarHBondContact O-N 2.95Å; D176-I178 VanDerWaalsContact C-N 3.31Å; D176-I178 PolarHBondContact O-N 2.84Å
177V66.3Low53.8Low120 Ų120130.3 Ų130.373%0.72775%0.749SS**  trans-68.996.3166.5-176.80000106.5D175 I179D175-V177 VanDerWaalsContact C-N 3.28Å; D175-V177 PolarHBondContact O-N 3.46Å; V177-I179 HydrophobicContact CG1-CG1 3.96Å; V177-I179 PolarHBondContact O-N 2.74Å
178I64.8Low54.8Low144 Ų144121.6 Ų121.674%0.73873%0.727SS**  trans-67.390.4166.4-54.3175.9000106.4D176 M180D176-I178 VanDerWaalsContact C-N 3.31Å; D176-I178 PolarHBondContact O-N 2.84Å; I178-M180 HydrophobicContact CG2-CG 4.08Å; I178-M180 PolarHBondContact O-N 2.82Å
179I58.2Low56.5Low132 Ų132120.2 Ų120.268%0.67772%0.715SS**  trans-66.896.7163-57.4175.3000104.7V177 S181V177-I179 HydrophobicContact CG1-CG1 3.96Å; V177-I179 PolarHBondContact O-N 2.74Å; I179-S181 PolarHBondContact O-N 2.8Å
180M56.1Low58.6Low169 Ų169123.5 Ų123.583%0.83372%0.718SS**  trans-67.279.7161.6-65.9-177.576.800106.3I178I178-M180 HydrophobicContact CG2-CG 4.08Å; I178-M180 PolarHBondContact O-N 2.82Å
181S54.9Low60.7Low82 Ų82123.4 Ų123.457%0.57371%0.706SS**  trans-49.2127.6155.5-56.20000105.2I179 A183I179-S181 PolarHBondContact O-N 2.8Å; S181-A183 PolarHBondContact O-N 2.89Å
182P56.7Low62.8Low110 Ų110119.7 Ų119.771%0.71468%0.682SS**  trans-52.6114.9173.223.8-31.1000104.9D184P182-D184 PolarHBondContact O-N 2.77Å
183A52Low65Low91 Ų91115.2 Ų115.275%0.75266%0.661SS**  trans-54.9109.8-172.900000107.6S181 G185S181-A183 PolarHBondContact O-N 2.89Å; A183-G185 PolarHBondContact O-N 2.87Å
184D59.8Low67Low174 Ų174107.9 Ų107.993%0.9362%0.621SS**THydrogen-bonded Turntrans-61.491.5163.8-69.9-40.8000105.3P182P182-D184 PolarHBondContact O-N 2.77Å
185G51.6Low68.9Low73 Ų73107.4 Ų107.475%0.75361%0.61SS**THydrogen-bonded Turntrans179.9-4-167.900000117.6A183A183-G185 PolarHBondContact O-N 2.87Å
186S52.8Low70.7Confident72 Ų72100 Ų10050%0.50357%0.571SS.*  trans-153.289.215771.30000109.4S188S186-S188 PolarHBondContact O-N 2.95Å
187D57.6Low72.2Confident177 Ų17799.2 Ų99.295%0.94756%0.557SS**  trans-68.228.9163.9-122.3-3.3000111.2
188S66.2Low73.5Confident69 Ų6993.9 Ų93.948%0.48353%0.525SS..PPolyproline II helixtrans-72.4122.9169.957.40000107.1S186 R190S186-S188 PolarHBondContact O-N 2.95Å; S188-R190 PolarHBondContact O-N 3.24Å; S188-R190 VanDerWaalsContact O-N 3.12Å
189P75.3Confident74.6Confident78 Ų7897.3 Ų97.351%0.50653%0.528SS..PPolyproline II helixtrans-54.6123177.620.5-30.7000109.3L208P189-L208 HydrophobicContact CB-CD2 3.78Å; P189-L208 HydrophobicContact CG-CD2 3.91Å; P189-L208 WeakPolarHBondContact O-CD2 3.4Å
190R85.3Confident76.1Confident198 Ų19896.8 Ų96.875%0.74753%0.532SS*.PPolyproline II helixtrans-76.6138.3178.1-64.9-176.6-178.7-157.40.3109.2S188S188-R190 PolarHBondContact O-N 3.24Å; S188-R190 VanDerWaalsContact O-N 3.12Å
191E91.4Very high77.8Confident122 Ų12293.1 Ų93.157%0.5752%0.516SS*.PPolyproline II helixtrans-69.8137173-65.1-178176.900110.7V207 L208E191-V207 CarbonylContact C-O 3.54Å; E191-V207 WeakPolarHBondContact CA-O 3.36Å; E191-L208 HydrophobicContact CG-CD2 3.94Å; E191-L208 HydrophobicContact CG-CG 4.21Å
192I91.6Very high79.8Confident40 Ų4093 Ų9321%0.20551%0.511CS..EExtended strand (participates in β ladder)trans-115.8128.3-178.3-62.3177.2000107.5L194 V207 P209 I253I192-L194 PolarHBondContact O-N 3.15Å; I192-V207 PolarHBondContact N-O 3.37Å; I192-V207 WeakPolarHBondContact O-CG2 3.41Å; I192-V207 PolarHBondContact O-N 2.82Å; I192-P209 HydrophobicContact CD1-CG 4.2Å; I192-I253 HydrophobicContact CG2-CD1 4.49Å; I192-I253 HydrophobicContact CG2-CG1 3.52Å
193P94.2Very high81.5Confident45 Ų4589.3 Ų89.329%0.29248%0.484SS..EExtended strand (participates in β ladder)trans-75.8109.4172.928.9-33.1000110.7L206 I253P193-L206 HydrophobicContact CB-CD2 3.88Å; P193-I253 HydrophobicContact CG-CG2 4.29Å
194L95.3Very high83.6Confident0 Ų092.4 Ų92.40%048%0.481CS..EExtended strand (participates in β ladder)trans-86.9131.4173.5-168.665.9000110I192 I196 K204 V205 V207 V216 L251 L257I192-L194 PolarHBondContact O-N 3.15Å; L194-I196 HydrophobicContact CB-CD1 4.42Å; L194-I196 HydrophobicContact CD2-CD1 4.29Å; L194-I196 HydrophobicContact CG-CD1 4.24Å; L194-K204 WeakPolarHBondContact O-CA 3.36Å; L194-V205 PolarHBondContact N-O 2.91Å; L194-V205 PolarHBondContact O-N 2.92Å; L194-V207 HydrophobicContact CB-CG2 3.89Å; L194-V207 HydrophobicContact CD2-CG2 4.44Å; L194-V216 HydrophobicContact CD2-CG1 4.44Å; L194-L251 HydrophobicContact CD1-CB 4.04Å; L194-L257 HydrophobicContact CD1-CD1 4.39Å; L194-L257 HydrophobicContact CD1-CG 4.48Å; L194-L257 HydrophobicContact CD2-CD1 3.79Å; L194-L257 HydrophobicContact CG-CD1 4.26Å
195K96.1Very high85.2Confident62 Ų6284.5 Ų84.527%0.2744%0.439SS..EExtended strand (participates in β ladder)trans-95.4123.7177.2-64.4167.1-172.1144.40109.1V202 K204 I253 I256 L257K195-V202 HydrophobicContact CB-CG1 4.15Å; K195-K204 HydrophobicContact CG-CG 4.41Å; K195-I253 PolarHBondContact NZ-O 3.29Å; K195-I256 HydrophobicContact CB-CG1 4.24Å; K195-I256 HydrophobicContact CD-CG1 4.08Å; K195-L257 PolarHBondContact O-N 3.13Å
196I95.8Very high87.3Confident0 Ų085.4 Ų85.40%043%0.426CS..EExtended strand (participates in β ladder)trans-120.7118.1175-55.6104.7000108.4L194 V202 H203 V205 V216 L220 L233 L257 C259L194-I196 HydrophobicContact CB-CD1 4.42Å; L194-I196 HydrophobicContact CD2-CD1 4.29Å; L194-I196 HydrophobicContact CG-CD1 4.24Å; I196-V202 CarbonylContact O-C 3.56Å; I196-V202 WeakPolarHBondContact O-CA 3.48Å; I196-H203 PolarHBondContact N-O 3.42Å; I196-H203 PolarHBondContact O-N 3.39Å; I196-V205 HydrophobicContact CD1-CB 3.99Å; I196-V205 HydrophobicContact CD1-CG2 3.64Å; I196-V216 HydrophobicContact CD1-CG1 3.97Å; I196-L220 HydrophobicContact CB-CD1 4.21Å; I196-L220 HydrophobicContact CB-CD2 4.27Å; I196-L220 HydrophobicContact CD1-CD1 4.2Å; I196-L220 HydrophobicContact CD1-CD2 4.33Å; I196-L220 HydrophobicContact CG1-CD1 4.08Å; I196-L220 HydrophobicContact CG2-CD1 3.8Å; I196-L220 HydrophobicContact CG2-CD2 4.34Å; I196-L233 HydrophobicContact CG2-CD2 3.81Å; I196-L257 CarbonylContact C-O 3.55Å; I196-L257 WeakPolarHBondContact CA-O 3.27Å; I196-L257 HydrophobicContact CG1-CB 4.25Å; I196-L257 HydrophobicContact CG1-CD1 4.46Å; I196-L257 HydrophobicContact CG2-CB 4.49Å; I196-C259 HydrophobicContact CG2-CB 3.53Å
197R94.9Very high89.2Confident125 Ų12582 Ų8247%0.47240%0.402SS..EExtended strand (participates in β ladder)trans-89.5123.4175.4-177.9-178.7174.4-171.3-2.9109.7R199 D201 V202 I256 L257 E258 C259R197-R199 PolarHBondContact NE-O 2.94Å; R197-D201 CarbonylContact C-O 3.53Å; R197-D201 VanDerWaalsContact CA-O 3.27Å; R197-D201 WeakPolarHBondContact CA-O 3.36Å; R197-V202 HydrophobicContact CB-CG2 4.23Å; R197-V202 HydrophobicContact CG-CG2 4.21Å; R197-I256 HydrophobicContact CB-CG2 4.08Å; R197-L257 PolarHBondContact N-O 3.24Å; R197-E258 CarbonylContact O-C 3.48Å; R197-C259 PolarHBondContact O-N 2.85Å
198C93.1Very high91Very high8 Ų876 Ų765%0.05437%0.37CS..EExtended strand (participates in β ladder)trans-117.2105.2173.4-58.30000108T200 D201 H203 L224 C259C198-T200 PolarHBondContact O-N 2.83Å; C198-D201 PolarHBondContact N-O 3.23Å; C198-D201 PolarHBondContact O-N 3.06Å; C198-H203 PolarHBondContact SG-CD2 3.49Å; C198-L224 HydrophobicContact CB-CD1 4.43Å; C198-L224 HydrophobicContact CB-CD2 4.35Å; C198-C259 VanDerWaalsContact SG-CB 3.5Å
199R88.2Confident92.2Very high216 Ų21675.1 Ų75.182%0.81536%0.362SS*.THydrogen-bonded Turntrans54.9-99.2-177.5-50.6175.9105.2-179.95.5112R197R197-R199 PolarHBondContact NE-O 2.94Å
200T88.4Confident93Very high122 Ų12275.2 Ų75.275%0.74837%0.365SS*.THydrogen-bonded Turntrans-96.7-18.4179.751.40000113.6C198C198-T200 PolarHBondContact O-N 2.83Å
201D93.7Very high93.4Very high92 Ų9266.2 Ų66.249%0.49233%0.332SS..EExtended strand (participates in β ladder)trans-104.3149.6-168.4-59.6-30.8000111.3R197 C198R197-D201 CarbonylContact C-O 3.53Å; R197-D201 VanDerWaalsContact CA-O 3.27Å; R197-D201 WeakPolarHBondContact CA-O 3.36Å; C198-D201 PolarHBondContact N-O 3.23Å; C198-D201 PolarHBondContact O-N 3.06Å
202V95Very high93.6Very high78 Ų7867.6 Ų67.647%0.47333%0.332SS..EExtended strand (participates in β ladder)trans-121.2110.8175.6-178.30000109.2K195 I196 R197K195-V202 HydrophobicContact CB-CG1 4.15Å; I196-V202 CarbonylContact O-C 3.56Å; I196-V202 WeakPolarHBondContact O-CA 3.48Å; R197-V202 HydrophobicContact CB-CG2 4.23Å; R197-V202 HydrophobicContact CG-CG2 4.21Å
203H94.3Very high93.7Very high34 Ų3465.8 Ų65.816%0.15732%0.322CS..EExtended strand (participates in β ladder)trans-90.4138.1176.7-55.1-79.2000110.1I196 C198 L220I196-H203 PolarHBondContact N-O 3.42Å; I196-H203 PolarHBondContact O-N 3.39Å; C198-H203 PolarHBondContact SG-CD2 3.49Å; H203-L220 HydrophobicContact CB-CD2 3.87Å
204K94.9Very high93.7Very high156 Ų15666.5 Ų66.568%0.67833%0.329SS*.EExtended strand (participates in β ladder)trans-111.2116.8176.7-66.1178.8-176.2173.70108.7L194 K195L194-K204 WeakPolarHBondContact O-CA 3.36Å; K195-K204 HydrophobicContact CG-CG 4.41Å
205V94.3Very high93.6Very high8 Ų870.9 Ų70.95%0.04835%0.349CS..EExtended strand (participates in β ladder)trans-113.9125.3179.7-175.60000108.8L194 I196 V207 V216 R219 L220L194-V205 PolarHBondContact N-O 2.91Å; L194-V205 PolarHBondContact O-N 2.92Å; I196-V205 HydrophobicContact CD1-CB 3.99Å; I196-V205 HydrophobicContact CD1-CG2 3.64Å; V205-V207 HydrophobicContact CB-CG1 4.43Å; V205-V207 HydrophobicContact CG1-CG1 3.87Å; V205-V207 PolarHBondContact O-N 2.93Å; V205-V216 HydrophobicContact CB-CG1 4.43Å; V205-V216 HydrophobicContact CG1-CG1 4.34Å; V205-V216 HydrophobicContact CG2-CG1 4.48Å; V205-R219 HydrophobicContact CG1-CB 4.45Å; V205-L220 HydrophobicContact CG2-CD2 4.26Å
206L94Very high93.5Very high91 Ų9168 Ų6848%0.47634%0.336SS..EExtended strand (participates in β ladder)trans-77121.1173.7-61.2176.7000109.3P193 R219P193-L206 HydrophobicContact CB-CD2 3.88Å; L206-R219 PolarHBondContact O-NH1 2.83Å
207V94.4Very high93.4Very high2 Ų268.6 Ų68.61%0.01234%0.34CS..EExtended strand (participates in β ladder)trans-133.5149.6-175.3-61.50000111E191 I192 L194 V205 T211 V216 V246E191-V207 CarbonylContact C-O 3.54Å; E191-V207 WeakPolarHBondContact CA-O 3.36Å; I192-V207 PolarHBondContact N-O 3.37Å; I192-V207 WeakPolarHBondContact O-CG2 3.41Å; I192-V207 PolarHBondContact O-N 2.82Å; L194-V207 HydrophobicContact CB-CG2 3.89Å; L194-V207 HydrophobicContact CD2-CG2 4.44Å; V205-V207 HydrophobicContact CB-CG1 4.43Å; V205-V207 HydrophobicContact CG1-CG1 3.87Å; V205-V207 PolarHBondContact O-N 2.93Å; V207-T211 HydrophobicContact CB-CG2 4.25Å; V207-T211 HydrophobicContact CG1-CG2 4.22Å; V207-V216 HydrophobicContact CG1-CG2 3.58Å; V207-V246 HydrophobicContact CB-CG2 4.2Å; V207-V246 HydrophobicContact CG2-CB 4.49Å; V207-V246 HydrophobicContact CG2-CG1 3.91Å; V207-V246 HydrophobicContact CG2-CG2 3.97Å
208L94.3Very high93.3Very high50 Ų5064.2 Ų64.226%0.26233%0.333SS..  trans-89.4156.6169.6-64.7151.3000108.6P189 E191 S210 T211P189-L208 HydrophobicContact CB-CD2 3.78Å; P189-L208 HydrophobicContact CG-CD2 3.91Å; P189-L208 WeakPolarHBondContact O-CD2 3.4Å; E191-L208 HydrophobicContact CG-CD2 3.94Å; E191-L208 HydrophobicContact CG-CG 4.21Å; L208-S210 PolarHBondContact O-N 2.82Å; L208-S210 VanDerWaalsContact O-N 3.11Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact N-OG1 2.77Å; L208-T211 VanDerWaalsContact O-CB 3.23Å; L208-T211 WeakPolarHBondContact O-CB 3.32Å; L208-T211 PolarHBondContact O-N 3.27Å; L208-T211 PolarHBondContact O-OG1 2.73Å
209P91.4Very high93.3Very high50 Ų5068.6 Ų68.633%0.32535%0.349SS..THydrogen-bonded Turntrans-56.4-26.7171.3-25.434.6000113.3I192 G247I192-P209 HydrophobicContact CD1-CG 4.2Å; P209-G247 WeakPolarHBondContact O-CA 3.48Å; P209-G247 PolarHBondContact O-N 2.77Å
210S92.5Very high93.6Very high80 Ų8058.3 Ų58.356%0.55931%0.31SS*.THydrogen-bonded Turntrans-83.7-10.1175.754.50000114.4L208L208-S210 PolarHBondContact O-N 2.82Å; L208-S210 VanDerWaalsContact O-N 3.11Å
211T94.4Very high93.8Very high9 Ų953 Ų536%0.05528%0.278CS..  trans-65.7137.1179.7-60.60000110.2V207 L208 E215 V216 T245 V246V207-T211 HydrophobicContact CB-CG2 4.25Å; V207-T211 HydrophobicContact CG1-CG2 4.22Å; L208-T211 WeakPolarHBondContact CB-OG1 3.45Å; L208-T211 PolarHBondContact N-OG1 2.77Å; L208-T211 VanDerWaalsContact O-CB 3.23Å; L208-T211 WeakPolarHBondContact O-CB 3.32Å; L208-T211 PolarHBondContact O-N 3.27Å; L208-T211 PolarHBondContact O-OG1 2.73Å; T211-E215 HydrophobicContact CG2-CB 4.17Å; T211-V216 HydrophobicContact CG2-CG2 4.07Å; T211-T245 VanDerWaalsContact O-CA 3.29Å; T211-T245 WeakPolarHBondContact O-CA 3.38Å; T211-V246 WeakPolarHBondContact O-CG2 3.38Å; T211-V246 PolarHBondContact O-N 3.28Å
212R95.3Very high93.8Very high152 Ų15252.4 Ų52.457%0.57429%0.286SS*.BIsolated β-bridgetrans-84.4148.5174.7-69.9-175179.8174.4-0.4111.2S214 E215 V216 A244 T245R212-S214 PolarHBondContact O-N 3.21Å; R212-E215 WeakPolarHBondContact O-CB 3.39Å; R212-E215 PolarHBondContact O-N 2.75Å; R212-E215 VanDerWaalsContact O-N 3.09Å; R212-V216 PolarHBondContact O-N 3.31Å; R212-A244 WeakPolarHBondContact CA-O 3.49Å; R212-T245 HydrophobicContact CG-CG2 3.93Å
213L94.1Very high93.7Very high1 Ų153 Ų531%0.00529%0.286CS..Hα-helixtrans-61.6-30.5176.1-71.2-172.5000113E215 V216 L217 L233 L240 A244 V246 L249 L251L213-E215 PolarHBondContact O-N 2.87Å; L213-V216 WeakPolarHBondContact O-CB 3.36Å; L213-V216 PolarHBondContact O-N 3.26Å; L213-V216 VanDerWaalsContact O-N 3.13Å; L213-L217 WeakPolarHBondContact O-CB 3.38Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.17Å; L213-L233 HydrophobicContact CB-CD1 4.46Å; L213-L233 HydrophobicContact CD1-CD1 4.47Å; L213-L233 HydrophobicContact CD2-CD1 4.15Å; L213-L240 HydrophobicContact CD1-CB 3.53Å; L213-L240 HydrophobicContact CD1-CD1 4.05Å; L213-L240 HydrophobicContact CD1-CG 4.42Å; L213-A244 PolarHBondContact N-O 2.91Å; L213-V246 HydrophobicContact CD2-CG2 4.33Å; L213-L249 HydrophobicContact CD1-CD1 3.34Å; L213-L249 HydrophobicContact CG-CD1 4.01Å; L213-L251 HydrophobicContact CD2-CD1 3.96Å
214S92.7Very high93.5Very high61 Ų6153.6 Ų53.643%0.42729%0.29SS..Hα-helixtrans-58.2-35.2173.760.80000113.4R212 G218 A242R212-S214 PolarHBondContact O-N 3.21Å; S214-G218 PolarHBondContact O-N 3.48Å; S214-A242 WeakPolarHBondContact CB-O 3.45Å; S214-A242 PolarHBondContact N-O 3.29Å
215E94Very high93.3Very high92 Ų9255 Ų5543%0.4330%0.298SS..Hα-helixtrans-72.2-40.2176.2-166.2-170.2147.300111T211 R212 L213 L217 G218 R219T211-E215 HydrophobicContact CG2-CB 4.17Å; R212-E215 WeakPolarHBondContact O-CB 3.39Å; R212-E215 PolarHBondContact O-N 2.75Å; R212-E215 VanDerWaalsContact O-N 3.09Å; L213-E215 PolarHBondContact O-N 2.87Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.45Å; E215-G218 PolarHBondContact O-N 2.77Å; E215-G218 VanDerWaalsContact O-N 3.17Å; E215-R219 WeakPolarHBondContact O-CG 3.03Å; E215-R219 PolarHBondContact O-N 3.34Å; E215-R219 IonicContact OE1-CZ 3.45Å; E215-R219 IonicContact OE1-NE 3.54Å; E215-R219 IonicContact OE1-NH2 2.77Å; E215-R219 PolarHBondContact OE1-NH2 3.01Å
216V93.8Very high93Very high0 Ų055.8 Ų55.80%030%0.303CS..Hα-helixtrans-61-44.5174.2-176.50000110.4L194 I196 V205 V207 T211 R212 L213 G218 R219 L220L194-V216 HydrophobicContact CD2-CG1 4.44Å; I196-V216 HydrophobicContact CD1-CG1 3.97Å; V205-V216 HydrophobicContact CB-CG1 4.43Å; V205-V216 HydrophobicContact CG1-CG1 4.34Å; V205-V216 HydrophobicContact CG2-CG1 4.48Å; V207-V216 HydrophobicContact CG1-CG2 3.58Å; T211-V216 HydrophobicContact CG2-CG2 4.07Å; R212-V216 PolarHBondContact O-N 3.31Å; L213-V216 WeakPolarHBondContact O-CB 3.36Å; L213-V216 PolarHBondContact O-N 3.26Å; L213-V216 VanDerWaalsContact O-N 3.13Å; V216-G218 VanDerWaalsContact C-N 3.31Å; V216-G218 PolarHBondContact O-N 2.77Å; V216-R219 PolarHBondContact O-N 2.89Å; V216-L220 HydrophobicContact CG1-CD1 4.13Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 3.13Å
217L93.7Very high92.7Very high14 Ų1454.6 Ų54.67%0.07330%0.301CS..Hα-helixtrans-60.5-39173.8-75.2178000112.1L213 E215 L220 A221 L231 L233 A242L213-L217 WeakPolarHBondContact O-CB 3.38Å; L213-L217 WeakPolarHBondContact O-CG 3.37Å; L213-L217 PolarHBondContact O-N 3.17Å; E215-L217 VanDerWaalsContact C-N 3.33Å; E215-L217 PolarHBondContact O-N 3.45Å; L217-L220 HydrophobicContact CD2-CD1 4.5Å; L217-L220 PolarHBondContact O-N 3.42Å; L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.5Å; L217-L231 HydrophobicContact CD2-CB 3.56Å; L217-L231 HydrophobicContact CD2-CD1 4.31Å; L217-L233 HydrophobicContact CD2-CD1 3.77Å; L217-L233 HydrophobicContact CD2-CD2 4.14Å; L217-L233 HydrophobicContact CD2-CG 3.6Å; L217-L233 HydrophobicContact CG-CD1 3.97Å; L217-L233 HydrophobicContact CG-CG 4.29Å; L217-A242 HydrophobicContact CD1-CB 4.14Å
218G93.1Very high92.4Very high32 Ų3257.3 Ų57.333%0.3332%0.319SS..Hα-helixtrans-62-41173.400000113S214 E215 V216 A221 A222S214-G218 PolarHBondContact O-N 3.48Å; E215-G218 PolarHBondContact O-N 2.77Å; E215-G218 VanDerWaalsContact O-N 3.17Å; V216-G218 VanDerWaalsContact C-N 3.31Å; V216-G218 PolarHBondContact O-N 2.77Å; G218-A221 PolarHBondContact O-N 2.77Å; G218-A222 PolarHBondContact O-N 3.28Å
219R93.4Very high91.9Very high101 Ų10158.7 Ų58.738%0.38133%0.331SS..Hα-helixtrans-66.8-41.6174.9-64.9177.7-171.7-160.46.6111.6V205 L206 E215 V216 A222 I223V205-R219 HydrophobicContact CG1-CB 4.45Å; L206-R219 PolarHBondContact O-NH1 2.83Å; E215-R219 WeakPolarHBondContact O-CG 3.03Å; E215-R219 PolarHBondContact O-N 3.34Å; E215-R219 IonicContact OE1-CZ 3.45Å; E215-R219 IonicContact OE1-NE 3.54Å; E215-R219 IonicContact OE1-NH2 2.77Å; E215-R219 PolarHBondContact OE1-NH2 3.01Å; V216-R219 PolarHBondContact O-N 2.89Å; R219-A222 PolarHBondContact O-N 3.18Å; R219-I223 WeakPolarHBondContact O-CD1 3.45Å; R219-I223 VanDerWaalsContact O-CG1 3.32Å; R219-I223 WeakPolarHBondContact O-CG1 3.12Å; R219-I223 PolarHBondContact O-N 2.94Å
220L93.4Very high91.7Very high0 Ų059.1 Ų59.10%033%0.326CS..Hα-helixtrans-66.7-39.2176-71.5169.3000112.2I196 H203 V205 V216 L217 A222 I223 L224 L231 L233I196-L220 HydrophobicContact CB-CD1 4.21Å; I196-L220 HydrophobicContact CB-CD2 4.27Å; I196-L220 HydrophobicContact CD1-CD1 4.2Å; I196-L220 HydrophobicContact CD1-CD2 4.33Å; I196-L220 HydrophobicContact CG1-CD1 4.08Å; I196-L220 HydrophobicContact CG2-CD1 3.8Å; I196-L220 HydrophobicContact CG2-CD2 4.34Å; H203-L220 HydrophobicContact CB-CD2 3.87Å; V205-L220 HydrophobicContact CG2-CD2 4.26Å; V216-L220 HydrophobicContact CG1-CD1 4.13Å; V216-L220 WeakPolarHBondContact O-CG 3.47Å; V216-L220 PolarHBondContact O-N 3.13Å; L217-L220 HydrophobicContact CD2-CD1 4.5Å; L217-L220 PolarHBondContact O-N 3.42Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 3.17Å; L220-I223 PolarHBondContact O-N 3.12Å; L220-L224 WeakPolarHBondContact O-CB 3.18Å; L220-L224 WeakPolarHBondContact O-CG 3.18Å; L220-L224 PolarHBondContact O-N 2.84Å; L220-L231 HydrophobicContact CB-CD1 3.96Å; L220-L233 HydrophobicContact CD1-CD2 4.05Å
221A93.7Very high91.6Very high10 Ų1055.9 Ų55.98%0.08330%0.302CS..Hα-helixtrans-58.2-41.5175.200000112L217 G218 I223 E225 V226 P228 L231L217-A221 WeakPolarHBondContact O-CB 3.47Å; L217-A221 PolarHBondContact O-N 3.5Å; G218-A221 PolarHBondContact O-N 2.77Å; A221-I223 VanDerWaalsContact C-N 3.33Å; A221-E225 WeakPolarHBondContact O-CA 3.46Å; A221-E225 PolarHBondContact O-N 2.83Å; A221-V226 WeakPolarHBondContact CA-O 3.47Å; A221-V226 WeakPolarHBondContact CB-O 3.24Å; A221-V226 PolarHBondContact O-N 2.92Å; A221-P228 HydrophobicContact CB-CB 4.21Å; A221-P228 HydrophobicContact CB-CG 3.63Å; A221-L231 HydrophobicContact CB-CD1 3.96Å
222A92.9Very high91.5Very high79 Ų7957.2 Ų57.265%0.65331%0.309SS*.Hα-helixtrans-66.3-34.5174.800000112.7G218 R219 L220G218-A222 PolarHBondContact O-N 3.28Å; R219-A222 PolarHBondContact O-N 3.18Å; L220-A222 VanDerWaalsContact C-N 3.28Å; L220-A222 PolarHBondContact O-N 3.17Å
223I92.1Very high91.4Very high92 Ų9250.1 Ų50.147%0.47228%0.282SS..Hα-helixtrans-76.4-38.9179.4-65.7163.4000111.7R219 L220 A221R219-I223 WeakPolarHBondContact O-CD1 3.45Å; R219-I223 VanDerWaalsContact O-CG1 3.32Å; R219-I223 WeakPolarHBondContact O-CG1 3.12Å; R219-I223 PolarHBondContact O-N 2.94Å; L220-I223 PolarHBondContact O-N 3.12Å; A221-I223 VanDerWaalsContact C-N 3.33Å
224L90.7Very high91.4Very high46 Ų4651.2 Ų51.224%0.24129%0.288CS..Hα-helixtrans-92.3-6-175.1-61.7174.2000113.3C198 L220 V226 L231C198-L224 HydrophobicContact CB-CD1 4.43Å; C198-L224 HydrophobicContact CB-CD2 4.35Å; L220-L224 WeakPolarHBondContact O-CB 3.18Å; L220-L224 WeakPolarHBondContact O-CG 3.18Å; L220-L224 PolarHBondContact O-N 2.84Å; L224-V226 HydrophobicContact CB-CB 4.41Å; L224-V226 HydrophobicContact CB-CG2 4.36Å; L224-V226 WeakPolarHBondContact O-CG2 3.44Å; L224-V226 PolarHBondContact O-N 2.82Å; L224-L231 HydrophobicContact CD1-CD2 4.01Å
225E90.1Very high91.4Very high184 Ų18451.4 Ų51.486%0.8628%0.279SS*.THydrogen-bonded Turntrans55.130.7-172.9-58.1-175.5172.800113.6A221A221-E225 WeakPolarHBondContact O-CA 3.46Å; A221-E225 PolarHBondContact O-N 2.83Å
226V89.9Confident91.3Very high25 Ų2554.6 Ų54.615%0.15229%0.294CS..SBendtrans-116.2136.2-179.4172.40000109A221 L224 R230 L231 V261A221-V226 WeakPolarHBondContact CA-O 3.47Å; A221-V226 WeakPolarHBondContact CB-O 3.24Å; A221-V226 PolarHBondContact O-N 2.92Å; L224-V226 HydrophobicContact CB-CB 4.41Å; L224-V226 HydrophobicContact CB-CG2 4.36Å; L224-V226 WeakPolarHBondContact O-CG2 3.44Å; L224-V226 PolarHBondContact O-N 2.82Å; V226-R230 HydrophobicContact CG1-CB 3.62Å; V226-R230 HydrophobicContact CG1-CG 4.47Å; V226-L231 HydrophobicContact CB-CD2 4.14Å; V226-L231 HydrophobicContact CG1-CD2 3.81Å; V226-L231 HydrophobicContact CG1-CG 4.29Å; V226-V261 HydrophobicContact CG1-CG1 3.86Å; V226-V261 HydrophobicContact CG2-CG1 4.1Å
227P87.2Confident91Very high66 Ų6663 Ų6343%0.42933%0.334SS..  trans-51.1135.7174-28.633.4000112.7P229 R230P227-P229 VanDerWaalsContact C-N 3.28Å; P227-P229 HydrophobicContact CB-CG 4.43Å; P227-P229 WeakPolarHBondContact O-CD 3.37Å; P227-P229 VanDerWaalsContact O-N 3.12Å; P227-R230 HydrophobicContact CB-CG 4.38Å; P227-R230 WeakPolarHBondContact O-CB 3.44Å; P227-R230 PolarHBondContact O-N 3.11Å
228P86.7Confident90.8Very high60 Ų6068.3 Ų68.339%0.3936%0.361SS..G310 helixtrans-49.6-38.2179-22.829.1000115.4A221 R230 L231A221-P228 HydrophobicContact CB-CB 4.21Å; A221-P228 HydrophobicContact CB-CG 3.63Å; P228-R230 PolarHBondContact O-N 2.8Å; P228-L231 WeakPolarHBondContact O-CB 3.41Å; P228-L231 PolarHBondContact O-N 2.98Å; P228-L231 VanDerWaalsContact O-N 3.1Å
229P84.7Confident90.8Very high78 Ų7873.1 Ų73.151%0.50638%0.375SS..G310 helixtrans-79.1-4.9-175.836.8-38.9000112.6P227 L231 Q267P227-P229 VanDerWaalsContact C-N 3.28Å; P227-P229 HydrophobicContact CB-CG 4.43Å; P227-P229 WeakPolarHBondContact O-CD 3.37Å; P227-P229 VanDerWaalsContact O-N 3.12Å; P229-L231 VanDerWaalsContact C-N 3.34Å; P229-Q267 HydrophobicContact CG-CG 4.46Å; P229-Q267 PolarHBondContact O-NE2 3.02Å
230R86.8Confident90.7Very high60 Ų6069.4 Ų69.423%0.22636%0.363CS..G310 helixtrans-86.9-3.8167.4-65.3-177.359.4-164.4-4.5113.1V226 P227 P228 V261 M262V226-R230 HydrophobicContact CG1-CB 3.62Å; V226-R230 HydrophobicContact CG1-CG 4.47Å; P227-R230 HydrophobicContact CB-CG 4.38Å; P227-R230 WeakPolarHBondContact O-CB 3.44Å; P227-R230 PolarHBondContact O-N 3.11Å; P228-R230 PolarHBondContact O-N 2.8Å; R230-V261 CarbonylContact O-C 3.48Å; R230-V261 WeakPolarHBondContact O-CA 3.07Å; R230-M262 VanDerWaalsContact CZ-O 3.26Å; R230-M262 PolarHBondContact NE-O 2.92Å; R230-M262 PolarHBondContact NH2-O 2.9Å; R230-M262 PolarHBondContact O-N 3.36Å
231L90.9Very high90.5Very high11 Ų1173.2 Ų73.26%0.05839%0.387CS..EExtended strand (participates in β ladder)trans-100.9122.3-178.7-59.6-178.7000109.8L217 L220 A221 L224 V226 P228 P229 V261L217-L231 HydrophobicContact CD2-CB 3.56Å; L217-L231 HydrophobicContact CD2-CD1 4.31Å; L220-L231 HydrophobicContact CB-CD1 3.96Å; A221-L231 HydrophobicContact CB-CD1 3.96Å; L224-L231 HydrophobicContact CD1-CD2 4.01Å; V226-L231 HydrophobicContact CB-CD2 4.14Å; V226-L231 HydrophobicContact CG1-CD2 3.81Å; V226-L231 HydrophobicContact CG1-CG 4.29Å; P228-L231 WeakPolarHBondContact O-CB 3.41Å; P228-L231 PolarHBondContact O-N 2.98Å; P228-L231 VanDerWaalsContact O-N 3.1Å; P229-L231 VanDerWaalsContact C-N 3.34Å; L231-V261 HydrophobicContact CD2-CG2 3.77Å
232L91.8Very high90.3Very high37 Ų3775 Ų7519%0.19440%0.402CS..EExtended strand (participates in β ladder)trans-109.2131.1173.9-178.364.1000109.1L234 E239 C259 V260L232-L234 HydrophobicContact CD2-CD1 4.22Å; L232-L234 HydrophobicContact CD2-CG 4.46Å; L232-L234 HydrophobicContact CG-CD1 4.12Å; L232-L234 HydrophobicContact CG-CG 4.36Å; L232-E239 HydrophobicContact CD1-CB 4.2Å; L232-E239 HydrophobicContact CD1-CG 4Å; L232-E239 HydrophobicContact CD2-CG 4.05Å; L232-E239 HydrophobicContact CG-CG 4.39Å; L232-C259 CarbonylContact O-C 3.57Å; L232-C259 VanDerWaalsContact O-CA 3.24Å; L232-C259 WeakPolarHBondContact O-CA 3.43Å; L232-V260 HydrophobicContact CB-CB 4.49Å; L232-V260 PolarHBondContact N-O 2.79Å; L232-V260 PolarHBondContact O-N 3.47Å
233L93.9Very high90.1Very high3 Ų373.8 Ų73.82%0.01640%0.398CS..EExtended strand (participates in β ladder)trans-102.5133.1173.7-67.4175.6000109.8I196 L213 L217 L220 L240 L257 E258 C259I196-L233 HydrophobicContact CG2-CD2 3.81Å; L213-L233 HydrophobicContact CB-CD1 4.46Å; L213-L233 HydrophobicContact CD1-CD1 4.47Å; L213-L233 HydrophobicContact CD2-CD1 4.15Å; L217-L233 HydrophobicContact CD2-CD1 3.77Å; L217-L233 HydrophobicContact CD2-CD2 4.14Å; L217-L233 HydrophobicContact CD2-CG 3.6Å; L217-L233 HydrophobicContact CG-CD1 3.97Å; L217-L233 HydrophobicContact CG-CG 4.29Å; L220-L233 HydrophobicContact CD1-CD2 4.05Å; L233-L240 HydrophobicContact CB-CB 4.3Å; L233-L240 HydrophobicContact CB-CD1 4.35Å; L233-L240 PolarHBondContact O-N 3.34Å; L233-L257 HydrophobicContact CD1-CD1 4.36Å; L233-E258 CarbonylContact C-O 3.59Å; L233-E258 WeakPolarHBondContact CA-O 3.2Å; L233-C259 HydrophobicContact CD2-CB 3.82Å
234L94Very high90.1Very high25 Ų2570.1 Ų70.113%0.13138%0.381CS..EExtended strand (participates in β ladder)trans-123.2143.9176.7-53.6100.1000111.1L232 L238 E239 L257 E258 V260L232-L234 HydrophobicContact CD2-CD1 4.22Å; L232-L234 HydrophobicContact CD2-CG 4.46Å; L232-L234 HydrophobicContact CG-CD1 4.12Å; L232-L234 HydrophobicContact CG-CG 4.36Å; L234-L238 CarbonylContact C-O 3.52Å; L234-L238 WeakPolarHBondContact CA-O 3.41Å; L234-E239 HydrophobicContact CD2-CG 4.38Å; L234-L257 CarbonylContact O-C 3.56Å; L234-L257 WeakPolarHBondContact O-CA 3.07Å; L234-E258 HydrophobicContact CB-CB 4.41Å; L234-E258 PolarHBondContact N-O 3.2Å; L234-E258 PolarHBondContact O-N 3.14Å; L234-V260 HydrophobicContact CD1-CB 4.16Å; L234-V260 HydrophobicContact CD1-CG2 3.5Å
235R93.5Very high90.3Very high65 Ų6569 Ų6925%0.24538%0.376CS..EExtended strand (participates in β ladder)trans-121.6122165.4-179.9-171.2-170.7163.913107.3E237 L238 L240 L249 D255 L257R235-E237 PolarHBondContact O-N 2.87Å; R235-L238 PolarHBondContact N-O 2.77Å; R235-L238 WeakPolarHBondContact O-CB 3.47Å; R235-L238 PolarHBondContact O-N 3.23Å; R235-L240 HydrophobicContact CB-CD1 4.12Å; R235-L240 HydrophobicContact CB-CD2 4Å; R235-L240 HydrophobicContact CB-CG 4.25Å; R235-L249 PolarHBondContact NH1-O 2.94Å; R235-D255 IonicContact CZ-OD1 2.77Å; R235-D255 IonicContact NE-OD1 2.78Å; R235-D255 IonicContact NH2-OD1 2.85Å; R235-D255 PolarHBondContact NH2-OD1 3.4Å; R235-D255 IonicContact NH2-OD2 3.59Å; R235-D255 PolarHBondContact NH2-OD2 3.47Å; R235-L257 HydrophobicContact CB-CD2 3.9Å; R235-L257 HydrophobicContact CG-CD2 4.38Å
236E90.6Very high90.5Very high158 Ų15860.3 Ų60.374%0.73834%0.335SS*.THydrogen-bonded Turntrans50.146.5179.2-61.3168.9-158.400111.6L238E236-L238 PolarHBondContact O-N 3.13Å; E236-L238 VanDerWaalsContact O-N 3.13Å
237E87.2Confident90.5Very high178 Ų17861 Ų6183%0.83235%0.348SS*.THydrogen-bonded Turntrans69.40.7-179.1-53.2162.7-169.900115.5R235R235-E237 PolarHBondContact O-N 2.87Å
238L90.4Very high90.8Very high125 Ų12565 Ų6565%0.65436%0.361SS*.EExtended strand (participates in β ladder)trans-95.7130.3176.4-62.2176.4000112.1L234 R235 E236 L240L234-L238 CarbonylContact C-O 3.52Å; L234-L238 WeakPolarHBondContact CA-O 3.41Å; R235-L238 PolarHBondContact N-O 2.77Å; R235-L238 WeakPolarHBondContact O-CB 3.47Å; R235-L238 PolarHBondContact O-N 3.23Å; E236-L238 PolarHBondContact O-N 3.13Å; E236-L238 VanDerWaalsContact O-N 3.13Å; L238-L240 PolarHBondContact O-N 2.93Å
239E92.3Very high91Very high133 Ų13364.2 Ų64.262%0.62135%0.353SS*.EExtended strand (participates in β ladder)trans-64.2130175.7-61.8-170.6176.700111.8L232 L234L232-E239 HydrophobicContact CD1-CB 4.2Å; L232-E239 HydrophobicContact CD1-CG 4Å; L232-E239 HydrophobicContact CD2-CG 4.05Å; L232-E239 HydrophobicContact CG-CG 4.39Å; L234-E239 HydrophobicContact CD2-CG 4.38Å
240L91.6Very high91.4Very high23 Ų2362.9 Ų62.912%0.1235%0.353CS..PPolyproline II helixtrans-94.6127.1178.6-63.1-178.4000111.2L213 L233 R235 L238 A242 L249 L251 L257L213-L240 HydrophobicContact CD1-CB 3.53Å; L213-L240 HydrophobicContact CD1-CD1 4.05Å; L213-L240 HydrophobicContact CD1-CG 4.42Å; L233-L240 HydrophobicContact CB-CB 4.3Å; L233-L240 HydrophobicContact CB-CD1 4.35Å; L233-L240 PolarHBondContact O-N 3.34Å; R235-L240 HydrophobicContact CB-CD1 4.12Å; R235-L240 HydrophobicContact CB-CD2 4Å; R235-L240 HydrophobicContact CB-CG 4.25Å; L238-L240 PolarHBondContact O-N 2.93Å; L240-A242 PolarHBondContact O-N 2.98Å; L240-L249 HydrophobicContact CB-CD1 4.43Å; L240-L249 HydrophobicContact CD1-CD1 4.49Å; L240-L249 HydrophobicContact CD2-CD1 4.2Å; L240-L249 HydrophobicContact CD2-CD2 4.43Å; L240-L251 HydrophobicContact CD1-CD1 4.28Å; L240-L257 HydrophobicContact CD1-CD1 3.94Å; L240-L257 HydrophobicContact CD1-CD2 3.6Å; L240-L257 HydrophobicContact CD1-CG 4.39Å
241P89.6Confident91.7Very high79 Ų7960.4 Ų60.451%0.51335%0.345SS..PPolyproline II helixtrans-63.6126.2178.7-20.130.6000111.9G243 A244P241-G243 PolarHBondContact O-N 3.45Å; P241-G243 VanDerWaalsContact O-N 3.1Å; P241-A244 HydrophobicContact CB-CB 4.19Å; P241-A244 WeakPolarHBondContact O-CB 3.23Å; P241-A244 PolarHBondContact O-N 3.3Å
242A88.6Confident91.7Very high47 Ų4760.8 Ų60.839%0.38835%0.352SS..THydrogen-bonded Turntrans-60-25.6179.900000113.9S214 L217 L240S214-A242 WeakPolarHBondContact CB-O 3.45Å; S214-A242 PolarHBondContact N-O 3.29Å; L217-A242 HydrophobicContact CD1-CB 4.14Å; L240-A242 PolarHBondContact O-N 2.98Å
243G89.3Confident91.7Very high55 Ų5563.8 Ų63.857%0.56737%0.367SS*.THydrogen-bonded Turntrans-80.3-15.1177.600000114.9P241P241-G243 PolarHBondContact O-N 3.45Å; P241-G243 VanDerWaalsContact O-N 3.1Å
244A92.8Very high91.7Very high14 Ų1468 Ų6812%0.11640%0.402CS..SBendtrans-75.7154.4-17800000111.6R212 L213 P241 L249R212-A244 WeakPolarHBondContact CA-O 3.49Å; L213-A244 PolarHBondContact N-O 2.91Å; P241-A244 HydrophobicContact CB-CB 4.19Å; P241-A244 WeakPolarHBondContact O-CB 3.23Å; P241-A244 PolarHBondContact O-N 3.3Å; A244-L249 HydrophobicContact CB-CD1 3.74Å; A244-L249 HydrophobicContact CB-CD2 4.06Å; A244-L249 HydrophobicContact CB-CG 3.85Å
245T94.7Very high91.7Very high23 Ų2368.2 Ų68.214%0.14140%0.403CS..BIsolated β-bridgetrans-94153176.357.20000111.7T211 R212 G247 Q248 L249T211-T245 VanDerWaalsContact O-CA 3.29Å; T211-T245 WeakPolarHBondContact O-CA 3.38Å; R212-T245 HydrophobicContact CG-CG2 3.93Å; T245-G247 PolarHBondContact O-N 3.09Å; T245-Q248 VanDerWaalsContact N-OE1 3.16Å; T245-Q248 PolarHBondContact O-N 2.83Å; T245-Q248 VanDerWaalsContact OG1-CB 3.3Å; T245-Q248 WeakPolarHBondContact OG1-CB 3.47Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.29Å; T245-Q248 PolarHBondContact OG1-N 3.29Å; T245-Q248 PolarHBondContact OG1-OE1 2.96Å; T245-L249 PolarHBondContact O-N 3.1Å; T245-L249 VanDerWaalsContact O-N 3.1Å
246V93.4Very high91.7Very high1 Ų170 Ų701%0.00642%0.417CS..THydrogen-bonded Turntrans-54.3-42.5177.7174.80000111V207 T211 L213 L249 G250 L251V207-V246 HydrophobicContact CB-CG2 4.2Å; V207-V246 HydrophobicContact CG2-CB 4.49Å; V207-V246 HydrophobicContact CG2-CG1 3.91Å; V207-V246 HydrophobicContact CG2-CG2 3.97Å; T211-V246 WeakPolarHBondContact O-CG2 3.38Å; T211-V246 PolarHBondContact O-N 3.28Å; L213-V246 HydrophobicContact CD2-CG2 4.33Å; V246-L249 PolarHBondContact O-N 2.96Å; V246-G250 PolarHBondContact O-N 2.86Å; V246-L251 HydrophobicContact CG1-CB 3.74Å; V246-L251 WeakPolarHBondContact CG1-O 3.47Å; V246-L251 PolarHBondContact O-N 3.02Å
247G90.6Very high91.9Very high41 Ų4162.6 Ų62.642%0.42338%0.382SS..THydrogen-bonded Turntrans-69.3-40.1178.500000113.8P209 T245 L249 G250P209-G247 WeakPolarHBondContact O-CA 3.48Å; P209-G247 PolarHBondContact O-N 2.77Å; T245-G247 PolarHBondContact O-N 3.09Å; G247-L249 VanDerWaalsContact C-N 3.27Å; G247-L249 PolarHBondContact O-N 2.81Å; G247-G250 PolarHBondContact O-N 2.96Å; G247-G250 VanDerWaalsContact O-N 3.14Å
248Q93.3Very high92.3Very high149 Ų14958.4 Ų58.470%0.69636%0.362SS*.THydrogen-bonded Turntrans-63.2-35.3175.8-78.3165.9-15.300112.3T245 G250T245-Q248 VanDerWaalsContact N-OE1 3.16Å; T245-Q248 PolarHBondContact O-N 2.83Å; T245-Q248 VanDerWaalsContact OG1-CB 3.3Å; T245-Q248 WeakPolarHBondContact OG1-CB 3.47Å; T245-Q248 WeakPolarHBondContact OG1-CG 3.29Å; T245-Q248 PolarHBondContact OG1-N 3.29Å; T245-Q248 PolarHBondContact OG1-OE1 2.96Å; Q248-G250 VanDerWaalsContact C-N 3.27Å
249L91.4Very high92.4Very high44 Ų4452.7 Ų52.723%0.2333%0.333CS..THydrogen-bonded Turntrans-84.4-2.1178.5-65.4174.7000113L213 R235 L240 A244 T245 V246 G247 L251L213-L249 HydrophobicContact CD1-CD1 3.34Å; L213-L249 HydrophobicContact CG-CD1 4.01Å; R235-L249 PolarHBondContact NH1-O 2.94Å; L240-L249 HydrophobicContact CB-CD1 4.43Å; L240-L249 HydrophobicContact CD1-CD1 4.49Å; L240-L249 HydrophobicContact CD2-CD1 4.2Å; L240-L249 HydrophobicContact CD2-CD2 4.43Å; A244-L249 HydrophobicContact CB-CD1 3.74Å; A244-L249 HydrophobicContact CB-CD2 4.06Å; A244-L249 HydrophobicContact CB-CG 3.85Å; T245-L249 PolarHBondContact O-N 3.1Å; T245-L249 VanDerWaalsContact O-N 3.1Å; V246-L249 PolarHBondContact O-N 2.96Å; G247-L249 VanDerWaalsContact C-N 3.27Å; G247-L249 PolarHBondContact O-N 2.81Å; L249-L251 VanDerWaalsContact C-N 3.25Å; L249-L251 HydrophobicContact CB-CD1 4.03Å; L249-L251 HydrophobicContact CB-CG 3.77Å; L249-L251 HydrophobicContact CD1-CD1 4.07Å; L249-L251 PolarHBondContact O-N 3.23Å
250G92.1Very high92.4Very high49 Ų4949 Ų4951%0.50532%0.319SS..THydrogen-bonded Turntrans59.137.4-17800000112.7V246 G247 Q248V246-G250 PolarHBondContact O-N 2.86Å; G247-G250 PolarHBondContact O-N 2.96Å; G247-G250 VanDerWaalsContact O-N 3.14Å; Q248-G250 VanDerWaalsContact C-N 3.27Å
251L92.6Very high92.4Very high8 Ų850.6 Ų50.64%0.04233%0.33CS..  trans-84.7127.4179.2-64.2176.5000110.3L194 L213 L240 V246 L249 D255 L257L194-L251 HydrophobicContact CD1-CB 4.04Å; L213-L251 HydrophobicContact CD2-CD1 3.96Å; L240-L251 HydrophobicContact CD1-CD1 4.28Å; V246-L251 HydrophobicContact CG1-CB 3.74Å; V246-L251 WeakPolarHBondContact CG1-O 3.47Å; V246-L251 PolarHBondContact O-N 3.02Å; L249-L251 VanDerWaalsContact C-N 3.25Å; L249-L251 HydrophobicContact CB-CD1 4.03Å; L249-L251 HydrophobicContact CB-CG 3.77Å; L249-L251 HydrophobicContact CD1-CD1 4.07Å; L249-L251 PolarHBondContact O-N 3.23Å; L251-D255 WeakPolarHBondContact CA-OD2 3.45Å; L251-D255 HydrophobicContact CD2-CB 4.45Å; L251-L257 HydrophobicContact CD1-CD1 4.04Å; L251-L257 HydrophobicContact CD1-CD2 4.5Å; L251-L257 HydrophobicContact CD2-CD2 3.75Å
252G90.9Very high92.2Very high20 Ų2049.6 Ų49.621%0.20632%0.319CS..  trans-134.8-169.5-176.300000114.1A254 D255G252-A254 PolarHBondContact O-N 3.1Å; G252-D255 PolarHBondContact N-OD2 3.3Å; G252-D255 PolarHBondContact O-N 3.19Å
253I93.4Very high91.8Very high100 Ų10050.5 Ų50.551%0.51332%0.321SS..THydrogen-bonded Turntrans-65.9-26.9-176.3-51.2172.4000112.3I192 P193 K195I192-I253 HydrophobicContact CG2-CD1 4.49Å; I192-I253 HydrophobicContact CG2-CG1 3.52Å; P193-I253 HydrophobicContact CG-CG2 4.29Å; K195-I253 PolarHBondContact NZ-O 3.29Å
254A93Very high90.6Very high90 Ų9051 Ų5174%0.74432%0.32SS*.THydrogen-bonded Turntrans-78.5-27-179.900000112.1G252G252-A254 PolarHBondContact O-N 3.1Å
255D93.5Very high88.8Confident31 Ų3158.9 Ų58.917%0.16635%0.354CS..  trans-75.4144.4-174.7-61.8-58000111.5R235 L251 G252R235-D255 IonicContact CZ-OD1 2.77Å; R235-D255 IonicContact NE-OD1 2.78Å; R235-D255 IonicContact NH2-OD1 2.85Å; R235-D255 PolarHBondContact NH2-OD1 3.4Å; R235-D255 IonicContact NH2-OD2 3.59Å; R235-D255 PolarHBondContact NH2-OD2 3.47Å; L251-D255 WeakPolarHBondContact CA-OD2 3.45Å; L251-D255 HydrophobicContact CD2-CB 4.45Å; G252-D255 PolarHBondContact N-OD2 3.3Å; G252-D255 PolarHBondContact O-N 3.19Å
256I94.6Very high86.8Confident103 Ų10362.9 Ų62.953%0.52837%0.371SS..EExtended strand (participates in β ladder)trans-123.4114.3171.8-58.1175.9000106.2K195 R197K195-I256 HydrophobicContact CB-CG1 4.24Å; K195-I256 HydrophobicContact CD-CG1 4.08Å; R197-I256 HydrophobicContact CB-CG2 4.08Å
257L95.2Very high84.7Confident1 Ų166 Ų661%0.00539%0.385CS..EExtended strand (participates in β ladder)trans-85.8142.6173.6-59.2-173000109.6L194 K195 I196 R197 L233 L234 R235 L240 L251L194-L257 HydrophobicContact CD1-CD1 4.39Å; L194-L257 HydrophobicContact CD1-CG 4.48Å; L194-L257 HydrophobicContact CD2-CD1 3.79Å; L194-L257 HydrophobicContact CG-CD1 4.26Å; K195-L257 PolarHBondContact O-N 3.13Å; I196-L257 CarbonylContact C-O 3.55Å; I196-L257 WeakPolarHBondContact CA-O 3.27Å; I196-L257 HydrophobicContact CG1-CB 4.25Å; I196-L257 HydrophobicContact CG1-CD1 4.46Å; I196-L257 HydrophobicContact CG2-CB 4.49Å; R197-L257 PolarHBondContact N-O 3.24Å; L233-L257 HydrophobicContact CD1-CD1 4.36Å; L234-L257 CarbonylContact O-C 3.56Å; L234-L257 WeakPolarHBondContact O-CA 3.07Å; R235-L257 HydrophobicContact CB-CD2 3.9Å; R235-L257 HydrophobicContact CG-CD2 4.38Å; L240-L257 HydrophobicContact CD1-CD1 3.94Å; L240-L257 HydrophobicContact CD1-CD2 3.6Å; L240-L257 HydrophobicContact CD1-CG 4.39Å; L251-L257 HydrophobicContact CD1-CD1 4.04Å; L251-L257 HydrophobicContact CD1-CD2 4.5Å; L251-L257 HydrophobicContact CD2-CD2 3.75Å
258E95.1Very high82.8Confident91 Ų9167.9 Ų67.943%0.42539%0.392SS..EExtended strand (participates in β ladder)trans-94134.6168.8-173.4157.7-15800109.2R197 L233 L234 V260R197-E258 CarbonylContact O-C 3.48Å; L233-E258 CarbonylContact C-O 3.59Å; L233-E258 WeakPolarHBondContact CA-O 3.2Å; L234-E258 HydrophobicContact CB-CB 4.41Å; L234-E258 PolarHBondContact N-O 3.2Å; L234-E258 PolarHBondContact O-N 3.14Å; E258-V260 HydrophobicContact CG-CG2 4.44Å
259C92.9Very high80.8Confident4 Ų461.9 Ų61.93%0.02737%0.367CS..EExtended strand (participates in β ladder)trans-115.3120.7175-175.60000109.8I196 R197 C198 L232 L233I196-C259 HydrophobicContact CG2-CB 3.53Å; R197-C259 PolarHBondContact O-N 2.85Å; C198-C259 VanDerWaalsContact SG-CB 3.5Å; L232-C259 CarbonylContact O-C 3.57Å; L232-C259 VanDerWaalsContact O-CA 3.24Å; L232-C259 WeakPolarHBondContact O-CA 3.43Å; L233-C259 HydrophobicContact CD2-CB 3.82Å
260V91.6Very high79.1Confident56 Ų5665.8 Ų65.834%0.33940%0.398SS..EExtended strand (participates in β ladder)trans-105.4132.1177.7179.60000108.5L232 L234 E258 M262L232-V260 HydrophobicContact CB-CB 4.49Å; L232-V260 PolarHBondContact N-O 2.79Å; L232-V260 PolarHBondContact O-N 3.47Å; L234-V260 HydrophobicContact CD1-CB 4.16Å; L234-V260 HydrophobicContact CD1-CG2 3.5Å; E258-V260 HydrophobicContact CG-CG2 4.44Å; V260-M262 HydrophobicContact CG1-SD 4.08Å
261V91.4Very high77.5Confident57 Ų5768.7 Ų68.735%0.34541%0.41SS..EExtended strand (participates in β ladder)trans-94.2110.2174.31780000108.3V226 R230 L231V226-V261 HydrophobicContact CG1-CG1 3.86Å; V226-V261 HydrophobicContact CG2-CG1 4.1Å; R230-V261 CarbonylContact O-C 3.48Å; R230-V261 WeakPolarHBondContact O-CA 3.07Å; L231-V261 HydrophobicContact CD2-CG2 3.77Å
262M86.3Confident76.6Confident58 Ų5869.8 Ų69.829%0.28642%0.419SS..  trans-72.2144.8176.3-56.5-57.6-80.400110.3R230 V260 E266R230-M262 VanDerWaalsContact CZ-O 3.26Å; R230-M262 PolarHBondContact NE-O 2.92Å; R230-M262 PolarHBondContact NH2-O 2.9Å; R230-M262 PolarHBondContact O-N 3.36Å; V260-M262 HydrophobicContact CG1-SD 4.08Å; M262-E266 WeakPolarHBondContact CE-OE2 3.42Å
263P79.6Confident76.2Confident66 Ų6669.4 Ų69.443%0.42941%0.413SS..  trans-60.4153.2171.627.5-33.7000110.6E265 E266P263-E265 PolarHBondContact O-N 3.47Å; P263-E266 WeakPolarHBondContact CD-OE2 3.3Å; P263-E266 HydrophobicContact CG-CG 4.1Å; P263-E266 PolarHBondContact O-N 2.95Å
264A64.3Low75.9Confident66 Ų6664.6 Ų64.655%0.54539%0.388SS..THydrogen-bonded Turntrans-64.2-12.6-172.100000114.4
265E55.3Low75.8Confident179 Ų17962 Ų6284%0.83637%0.365SS*.THydrogen-bonded Turntrans-84.7-13.6-177.4-59.5-174.4172.100112.7P263 Q267P263-E265 PolarHBondContact O-N 3.47Å; E265-Q267 PolarHBondContact O-N 2.99Å
266E52.8Low75.7Confident107 Ų10760.6 Ų60.650%0.536%0.357SS..  trans-102.831.2-173.2-67.6174.7-178.400112.6M262 P263 S268M262-E266 WeakPolarHBondContact CE-OE2 3.42Å; P263-E266 WeakPolarHBondContact CD-OE2 3.3Å; P263-E266 HydrophobicContact CG-CG 4.1Å; P263-E266 PolarHBondContact O-N 2.95Å; E266-S268 PolarHBondContact O-N 3.1Å
267Q49.5Very low75.6Confident65 Ų6558.7 Ų58.730%0.30435%0.345SS..SBendtrans-76.997.3-177.4-159.460.185.800111.4P229 E265P229-Q267 HydrophobicContact CG-CG 4.46Å; P229-Q267 PolarHBondContact O-NE2 3.02Å; E265-Q267 PolarHBondContact O-N 2.99Å
268S50.5Low75.4Confident81 Ų8158.7 Ų58.757%0.56635%0.345SS*.SBendtrans81.847.1156.2-450000117.4E266E266-S268 PolarHBondContact O-N 3.1Å
269C50.3Low75.1Confident24 Ų2456.1 Ų56.116%0.16233%0.333CS..  trans-158.39-169.3-93.70000117S271 C273 L290C269-S271 VanDerWaalsContact C-N 3.27Å; C269-S271 PolarHBondContact O-N 3.34Å; C269-S271 VanDerWaalsContact O-N 3.07Å; C269-C273 WeakPolarHBondContact CA-SG 3.48Å; C269-C273 HydrophobicContact CB-CB 3.17Å; C269-C273 WeakPolarHBondContact CB-SG 3.35Å; C269-C273 WeakPolarHBondContact O-CB 2.91Å; C269-C273 PolarHBondContact O-N 1.99Å; C269-C273 WeakPolarHBondContact SG-CB 2.87Å; C269-C273 CovalentContact SG-SG 1.99Å; C269-C273 PolarHBondContact SG-SG 2.75Å; C269-L290 HydrophobicContact CB-CD2 3.56Å; C269-L290 HydrophobicContact CB-CG 4.21Å
270S55.4Low74.9Confident125 Ų12556.8 Ų56.887%0.87434%0.337SS*.THydrogen-bonded Turntrans-68-13-161.650.50000116.5
271S59.2Low74.2Confident110 Ų11063 Ų6377%0.76936%0.355SS*.THydrogen-bonded Turntrans-135-21.3173.362.70000114.8C269C269-S271 VanDerWaalsContact C-N 3.27Å; C269-S271 PolarHBondContact O-N 3.34Å; C269-S271 VanDerWaalsContact O-N 3.07Å
272S73.1Confident73.3Confident32 Ų3265 Ų6522%0.22436%0.364CS..THydrogen-bonded Turntrans-1091.8-174.657.70000113.5H292 R293S272-H292 WeakPolarHBondContact CB-NE2 3.36Å; S272-H292 PolarHBondContact OG-CD2 2.76Å; S272-H292 VanDerWaalsContact OG-CD2 3.27Å; S272-H292 PolarHBondContact OG-CE1 3.26Å; S272-H292 PolarHBondContact OG-NE2 2.85Å; S272-R293 VanDerWaalsContact O-CB 3.25Å; S272-R293 WeakPolarHBondContact O-CB 3.21Å; S272-R293 WeakPolarHBondContact O-CG 3.44Å; S272-R293 PolarHBondContact O-N 3.08Å
273C82.8Confident72.5Confident11 Ų1171.8 Ų71.87%0.07439%0.386CS..EExtended strand (participates in β ladder)trans-112.1153.9176.2-60.70000112.6C269 L290 V291 H292C269-C273 WeakPolarHBondContact CA-SG 3.48Å; C269-C273 HydrophobicContact CB-CB 3.17Å; C269-C273 WeakPolarHBondContact CB-SG 3.35Å; C269-C273 WeakPolarHBondContact O-CB 2.91Å; C269-C273 PolarHBondContact O-N 1.99Å; C269-C273 WeakPolarHBondContact SG-CB 2.87Å; C269-C273 CovalentContact SG-SG 1.99Å; C269-C273 PolarHBondContact SG-SG 2.75Å; C273-L290 HydrophobicContact CB-CG 4.24Å; C273-V291 CarbonylContact C-O 3.51Å; C273-V291 WeakPolarHBondContact CA-O 3.25Å; C273-V291 VanDerWaalsContact CB-O 3.26Å; C273-V291 WeakPolarHBondContact CB-O 3.28Å; C273-H292 WeakPolarHBondContact SG-CA 3.42Å
274V88.3Confident71.9Confident0 Ų073 Ų730%040%0.396CS..EExtended strand (participates in β ladder)trans-125.4138.5-176.1174.60000108.3L276 V291 R293 E337 D338V274-L276 HydrophobicContact CG1-CD2 3.64Å; V274-L276 HydrophobicContact CG1-CG 4.32Å; V274-V291 PolarHBondContact N-O 2.75Å; V274-V291 PolarHBondContact O-N 2.86Å; V274-R293 HydrophobicContact CG2-CG 3.65Å; V274-E337 WeakPolarHBondContact CG1-O 3.28Å; V274-D338 WeakPolarHBondContact CA-OD1 3.38Å
275S89.9Confident72.4Confident36 Ų3671.7 Ų71.725%0.25238%0.383SS..EExtended strand (participates in β ladder)trans-84.3114.8173.454.70000110.6D338 G339S275-D338 WeakPolarHBondContact CB-OD1 3.42Å; S275-D338 PolarHBondContact N-OD1 3.07Å; S275-D338 PolarHBondContact OG-OD1 2.94Å; S275-G339 PolarHBondContact O-N 3.22Å; S275-G339 PolarHBondContact OG-N 3.26Å
276L91.5Very high73.8Confident0 Ų066 Ų660%036%0.363CS..EExtended strand (participates in β ladder)trans-113.1138.4-178.5-56.7-179.7000110.9V274 L288 F289 V291 L297 L336 D340 I342V274-L276 HydrophobicContact CG1-CD2 3.64Å; V274-L276 HydrophobicContact CG1-CG 4.32Å; L276-L288 CarbonylContact O-C 3.6Å; L276-L288 WeakPolarHBondContact O-CA 3.33Å; L276-F289 PolarHBondContact N-O 2.81Å; L276-F289 PolarHBondContact O-N 3.27Å; L276-V291 HydrophobicContact CD1-CB 4.24Å; L276-V291 HydrophobicContact CD1-CG2 3.88Å; L276-V291 HydrophobicContact CG-CG2 4.28Å; L276-L297 HydrophobicContact CD1-CD2 3.9Å; L276-L336 HydrophobicContact CD1-CD1 3.63Å; L276-L336 HydrophobicContact CD2-CB 3.74Å; L276-L336 HydrophobicContact CD2-CD1 3.85Å; L276-L336 HydrophobicContact CD2-CD2 4.37Å; L276-L336 HydrophobicContact CD2-CG 4.2Å; L276-L336 HydrophobicContact CG-CD1 4.42Å; L276-D340 HydrophobicContact CD2-CB 4.11Å; L276-I342 HydrophobicContact CD1-CD1 4.11Å
277K91.8Very high75.4Confident64 Ų6462.6 Ų62.628%0.27835%0.347SS..EExtended strand (participates in β ladder)trans-106.6111.5175.4-174.3175.6-179.6175.90110.2Q279 S286 Q287 L288 D340 I341 I342K277-Q279 PolarHBondContact O-N 2.65Å; K277-S286 WeakPolarHBondContact CE-OG 3.07Å; K277-Q287 CarbonylContact C-O 3.58Å; K277-Q287 WeakPolarHBondContact CA-O 3.41Å; K277-L288 HydrophobicContact CB-CD2 3.97Å; K277-L288 HydrophobicContact CG-CD2 4.45Å; K277-D340 PolarHBondContact N-O 3.16Å; K277-I341 HydrophobicContact CB-CG1 4.24Å; K277-I341 HydrophobicContact CD-CG1 4.36Å; K277-I341 CarbonylContact O-C 3.54Å; K277-I341 VanDerWaalsContact O-CA 3.25Å; K277-I341 WeakPolarHBondContact O-CA 3.29Å; K277-I341 WeakPolarHBondContact O-CG2 3.21Å; K277-I342 PolarHBondContact O-N 2.76Å
278L91.6Very high77.3Confident0 Ų065.7 Ų65.70%037%0.365CS..EExtended strand (participates in β ladder)trans-84.1115.7169.9-87.564.2000108.8S286 Q287 F289 V300 F301 F304 F318 I342 V344L278-S286 CarbonylContact O-C 3.57Å; L278-S286 VanDerWaalsContact O-CA 3.28Å; L278-S286 WeakPolarHBondContact O-CA 3.35Å; L278-Q287 PolarHBondContact N-O 2.78Å; L278-Q287 PolarHBondContact O-N 3.41Å; L278-F289 HydrophobicContact CB-CD2 4.33Å; L278-F289 HydrophobicContact CB-CE2 4.03Å; L278-F289 HydrophobicContact CD1-CD2 3.9Å; L278-F289 HydrophobicContact CD1-CE2 4.29Å; L278-F289 HydrophobicContact CD2-CD2 4.36Å; L278-F289 HydrophobicContact CD2-CE2 3.97Å; L278-F289 HydrophobicContact CG-CD2 4.42Å; L278-F289 HydrophobicContact CG-CE2 4.33Å; L278-V300 HydrophobicContact CD1-CG1 3.93Å; L278-V300 HydrophobicContact CD2-CG1 4.11Å; L278-F301 HydrophobicContact CD2-CD1 4.07Å; L278-F301 HydrophobicContact CD2-CE1 4.4Å; L278-F304 HydrophobicContact CB-CD2 3.99Å; L278-F304 HydrophobicContact CB-CE2 4.13Å; L278-F304 HydrophobicContact CD2-CB 3.69Å; L278-F304 HydrophobicContact CD2-CD1 4.29Å; L278-F304 HydrophobicContact CD2-CD2 3.88Å; L278-F304 HydrophobicContact CD2-CG 3.68Å; L278-F318 HydrophobicContact CD2-CD1 4.39Å; L278-F318 HydrophobicContact CD2-CE1 3.92Å; L278-I342 WeakPolarHBondContact CA-O 3.27Å; L278-I342 HydrophobicContact CD1-CB 4.06Å; L278-I342 HydrophobicContact CD1-CD1 4.16Å; L278-I342 HydrophobicContact CD1-CG1 4.47Å; L278-I342 HydrophobicContact CG-CB 4.2Å; L278-I342 HydrophobicContact CG-CG2 4.48Å; L278-V344 HydrophobicContact CB-CG2 4.19Å; L278-V344 HydrophobicContact CG-CG2 4.42Å
279Q89.9Confident79.1Confident37 Ų3762.5 Ų62.517%0.17334%0.341CS..EExtended strand (participates in β ladder)trans-120.9127.7-177.4-175168.646.700111.2K277 I341 I342 E343 V344K277-Q279 PolarHBondContact O-N 2.65Å; Q279-I341 HydrophobicContact CB-CG2 3.71Å; Q279-I342 PolarHBondContact N-O 3.41Å; Q279-E343 CarbonylContact O-C 3.58Å; Q279-E343 WeakPolarHBondContact O-CA 3.42Å; Q279-V344 PolarHBondContact O-N 3.42Å
280S86.9Confident80.9Confident18 Ų1865.9 Ų65.913%0.12636%0.357CS..EExtended strand (participates in β ladder)trans-70.1148169.7178.20000110.9D282 R283 S285S280-D282 WeakPolarHBondContact CB-OD1 3.26Å; S280-D282 PolarHBondContact O-N 2.8Å; S280-D282 VanDerWaalsContact O-N 3.13Å; S280-D282 PolarHBondContact OG-OD1 2.79Å; S280-R283 WeakPolarHBondContact O-CA 3.14Å; S280-R283 PolarHBondContact O-N 2.87Å; S280-S285 PolarHBondContact N-O 2.85Å
281R77.9Confident82.5Confident186 Ų18660.3 Ų60.370%0.70232%0.318SS*.THydrogen-bonded Turntrans-54.8-32.4-177.6179.3175.5171.4172-1114R283 V344R281-R283 PolarHBondContact O-N 2.8Å; R281-V344 PolarHBondContact N-O 2.89Å
282D72.6Confident83.8Confident101 Ų10158.5 Ų58.554%0.5430%0.297SS..THydrogen-bonded Turntrans-76.11.6178.164.6-19.9000113.6S280 S284S280-D282 WeakPolarHBondContact CB-OD1 3.26Å; S280-D282 PolarHBondContact O-N 2.8Å; S280-D282 VanDerWaalsContact O-N 3.13Å; S280-D282 PolarHBondContact OG-OD1 2.79Å; D282-S284 PolarHBondContact O-N 2.79Å; D282-S284 PolarHBondContact OD1-OG 2.92Å; D282-S284 WeakPolarHBondContact OD2-CB 3.48Å; D282-S284 PolarHBondContact OD2-OG 2.79Å
283R69.9Low84.5Confident200 Ų20061.4 Ų61.476%0.75530%0.303SS*.SBendtrans54.96.5-176.8-64.4-178.1169.5168.6-2.6114.3S280 R281S280-R283 WeakPolarHBondContact O-CA 3.14Å; S280-R283 PolarHBondContact O-N 2.87Å; R281-R283 PolarHBondContact O-N 2.8Å
284S65.6Low84.7Confident92 Ų9266.3 Ų66.364%0.64333%0.325SS*.SBendtrans-80.3-26.3-176.377.10000112.1D282D282-S284 PolarHBondContact O-N 2.79Å; D282-S284 PolarHBondContact OD1-OG 2.92Å; D282-S284 WeakPolarHBondContact OD2-CB 3.48Å; D282-S284 PolarHBondContact OD2-OG 2.79Å
285S75.6Confident84.6Confident38 Ų3868 Ų6827%0.26634%0.339SS..  trans-125.5113.5178.4169.20000110.1S280S280-S285 PolarHBondContact N-O 2.85Å
286S85.1Confident84.7Confident59 Ų5969.3 Ų69.341%0.41335%0.346SS..EExtended strand (participates in β ladder)trans-127.5132.4166.965.80000111K277 L278K277-S286 WeakPolarHBondContact CE-OG 3.07Å; L278-S286 CarbonylContact O-C 3.57Å; L278-S286 VanDerWaalsContact O-CA 3.28Å; L278-S286 WeakPolarHBondContact O-CA 3.35Å
287Q86.8Confident84.7Confident35 Ų3569.3 Ų69.316%0.16435%0.346CS..EExtended strand (participates in β ladder)trans-126.6132180-66.4-177.83600109.6K277 L278 F289 F304 R307K277-Q287 CarbonylContact C-O 3.58Å; K277-Q287 WeakPolarHBondContact CA-O 3.41Å; L278-Q287 PolarHBondContact N-O 2.78Å; L278-Q287 PolarHBondContact O-N 3.41Å; Q287-F289 HydrophobicContact CB-CD2 4.26Å; Q287-F289 HydrophobicContact CB-CE2 3.46Å; Q287-F289 VanDerWaalsContact CB-CE2 3.46Å; Q287-F289 HydrophobicContact CB-CZ 3.93Å; Q287-F304 HydrophobicContact CB-CD2 4.33Å; Q287-F304 HydrophobicContact CG-CD2 4.36Å; Q287-F304 HydrophobicContact CG-CE2 4.31Å; Q287-R307 VanDerWaalsContact OE1-CD 3.23Å
288L89.4Confident84.6Confident130 Ų13068.8 Ų68.868%0.68135%0.35SS*.EExtended strand (participates in β ladder)trans-90.5137.4175-81.7159.4000110L276 K277L276-L288 CarbonylContact O-C 3.6Å; L276-L288 WeakPolarHBondContact O-CA 3.33Å; K277-L288 HydrophobicContact CB-CD2 3.97Å; K277-L288 HydrophobicContact CG-CD2 4.45Å
289F88.3Confident84.4Confident14 Ų1472.7 Ų72.76%0.06138%0.378CS..EExtended strand (participates in β ladder)trans-134.5138.5178.2-64.5-88.9000109.6L276 L278 Q287 V291 V300 Q303 F304L276-F289 PolarHBondContact N-O 2.81Å; L276-F289 PolarHBondContact O-N 3.27Å; L278-F289 HydrophobicContact CB-CD2 4.33Å; L278-F289 HydrophobicContact CB-CE2 4.03Å; L278-F289 HydrophobicContact CD1-CD2 3.9Å; L278-F289 HydrophobicContact CD1-CE2 4.29Å; L278-F289 HydrophobicContact CD2-CD2 4.36Å; L278-F289 HydrophobicContact CD2-CE2 3.97Å; L278-F289 HydrophobicContact CG-CD2 4.42Å; L278-F289 HydrophobicContact CG-CE2 4.33Å; Q287-F289 HydrophobicContact CB-CD2 4.26Å; Q287-F289 HydrophobicContact CB-CE2 3.46Å; Q287-F289 VanDerWaalsContact CB-CE2 3.46Å; Q287-F289 HydrophobicContact CB-CZ 3.93Å; F289-V291 HydrophobicContact CB-CG2 4.15Å; F289-V300 HydrophobicContact CB-CG1 3.78Å; F289-V300 HydrophobicContact CD1-CG1 3.9Å; F289-V300 HydrophobicContact CD2-CG1 3.81Å; F289-V300 HydrophobicContact CE1-CG1 4.41Å; F289-V300 HydrophobicContact CE2-CG1 4.31Å; F289-V300 HydrophobicContact CG-CG1 3.56Å; F289-Q303 HydrophobicContact CE1-CB 4.13Å; F289-Q303 HydrophobicContact CE1-CG 3.91Å; F289-F304 HydrophobicContact CE2-CB 4.34Å; F289-F304 HydrophobicContact CE2-CD2 4.11Å; F289-F304 HydrophobicContact CZ-CB 3.97Å; F289-F304 HydrophobicContact CZ-CD2 4.23Å
290L88Confident84.4Confident96 Ų9671.2 Ų71.250%0.50337%0.372SS..EExtended strand (participates in β ladder)trans-97.5126172.2-165.477.6000108.6C269 C273C269-L290 HydrophobicContact CB-CD2 3.56Å; C269-L290 HydrophobicContact CB-CG 4.21Å; C273-L290 HydrophobicContact CB-CG 4.24Å
291V88.5Confident84.5Confident8 Ų870.9 Ų70.95%0.04837%0.368CS..EExtended strand (participates in β ladder)trans-138.4136.6-169.7-163.80000111.1C273 V274 L276 F289 L297 V300C273-V291 CarbonylContact C-O 3.51Å; C273-V291 WeakPolarHBondContact CA-O 3.25Å; C273-V291 VanDerWaalsContact CB-O 3.26Å; C273-V291 WeakPolarHBondContact CB-O 3.28Å; V274-V291 PolarHBondContact N-O 2.75Å; V274-V291 PolarHBondContact O-N 2.86Å; L276-V291 HydrophobicContact CD1-CB 4.24Å; L276-V291 HydrophobicContact CD1-CG2 3.88Å; L276-V291 HydrophobicContact CG-CG2 4.28Å; F289-V291 HydrophobicContact CB-CG2 4.15Å; V291-L297 HydrophobicContact CG1-CD2 3.86Å; V291-V300 HydrophobicContact CB-CG2 4.29Å; V291-V300 HydrophobicContact CG1-CG2 3.93Å; V291-V300 HydrophobicContact CG2-CG2 3.35Å
292H87.3Confident85Confident71 Ų7165.6 Ų65.633%0.32936%0.359SS..EExtended strand (participates in β ladder)trans-71.6138.1175.4-157.7-78.1000111.5S272 C273 E294 A295S272-H292 WeakPolarHBondContact CB-NE2 3.36Å; S272-H292 PolarHBondContact OG-CD2 2.76Å; S272-H292 VanDerWaalsContact OG-CD2 3.27Å; S272-H292 PolarHBondContact OG-CE1 3.26Å; S272-H292 PolarHBondContact OG-NE2 2.85Å; C273-H292 WeakPolarHBondContact SG-CA 3.42Å; H292-E294 VanDerWaalsContact C-N 3.27Å; H292-E294 IonicContact CE1-OE2 3.74Å; H292-E294 PolarHBondContact CE1-OE2 2.94Å; H292-E294 IonicContact ND1-OE2 3.58Å; H292-E294 PolarHBondContact ND1-OE2 3.09Å; H292-E294 PolarHBondContact O-N 3.13Å; H292-A295 HydrophobicContact CB-CB 3.76Å; H292-A295 PolarHBondContact O-N 3.49Å
293R87.4Confident85.8Confident93 Ų9364.8 Ų64.835%0.35135%0.352SS..THydrogen-bonded Turntrans-55.6-39.8-176.6-85.7-174159.5-175-6.6113S272 V274 T330 A331 A332S272-R293 VanDerWaalsContact O-CB 3.25Å; S272-R293 WeakPolarHBondContact O-CB 3.21Å; S272-R293 WeakPolarHBondContact O-CG 3.44Å; S272-R293 PolarHBondContact O-N 3.08Å; V274-R293 HydrophobicContact CG2-CG 3.65Å; R293-T330 VanDerWaalsContact O-CB 3.26Å; R293-T330 WeakPolarHBondContact O-CB 3.38Å; R293-T330 PolarHBondContact O-OG1 2.82Å; R293-A331 PolarHBondContact O-N 2.85Å; R293-A332 HydrophobicContact CB-CB 4.2Å; R293-A332 WeakPolarHBondContact O-CB 3.43Å; R293-A332 PolarHBondContact O-N 2.91Å
294E86.6Confident86.6Confident115 Ų11555.4 Ų55.454%0.53732%0.317SS..THydrogen-bonded Turntrans-93.9-5.2-178.2-59.870.1-152.600113.4H292 T330H292-E294 VanDerWaalsContact C-N 3.27Å; H292-E294 IonicContact CE1-OE2 3.74Å; H292-E294 PolarHBondContact CE1-OE2 2.94Å; H292-E294 IonicContact ND1-OE2 3.58Å; H292-E294 PolarHBondContact ND1-OE2 3.09Å; H292-E294 PolarHBondContact O-N 3.13Å; E294-T330 VanDerWaalsContact O-CG2 3.31Å; E294-T330 WeakPolarHBondContact O-CG2 3.29Å
295A86.8Confident87.6Confident35 Ų3552.9 Ų52.929%0.28930%0.296SS..SBendtrans-85.5147178.300000111.5H292 T330H292-A295 HydrophobicContact CB-CB 3.76Å; H292-A295 PolarHBondContact O-N 3.49Å; A295-T330 WeakPolarHBondContact O-CA 3.16Å; A295-T330 WeakPolarHBondContact O-CB 3.43Å
296P91.6Very high88.1Confident63 Ų6354.3 Ų54.341%0.40931%0.306SS..BIsolated β-bridgetrans-68.7141.1175.927.6-33.6000111.6S298 Q329P296-S298 PolarHBondContact O-N 3.32Å; P296-S298 VanDerWaalsContact O-N 3.13Å; P296-Q329 WeakPolarHBondContact CA-O 3.45Å
297L90.8Very high87.9Confident0 Ų058.9 Ų58.90%031%0.314CS..THydrogen-bonded Turntrans-70.2-5.2179.9-63.1-179.5000114L276 V291 S299 V300 F301 V325 G327 Q329 A331 L334 L336 I342L276-L297 HydrophobicContact CD1-CD2 3.9Å; V291-L297 HydrophobicContact CG1-CD2 3.86Å; L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 2.86Å; L297-V300 WeakPolarHBondContact O-CB 3.37Å; L297-V300 PolarHBondContact O-N 3.48Å; L297-V300 VanDerWaalsContact O-N 3.13Å; L297-F301 HydrophobicContact CB-CD2 4.34Å; L297-F301 HydrophobicContact CB-CE1 4.23Å; L297-F301 HydrophobicContact CB-CE2 3.85Å; L297-F301 HydrophobicContact CB-CZ 3.79Å; L297-F301 HydrophobicContact CD1-CZ 3.94Å; L297-F301 WeakPolarHBondContact O-CG 3.42Å; L297-F301 PolarHBondContact O-N 2.89Å; L297-V325 HydrophobicContact CD1-CG1 3.81Å; L297-G327 PolarHBondContact N-O 2.9Å; L297-Q329 WeakPolarHBondContact CG-O 3.44Å; L297-Q329 PolarHBondContact N-O 3.4Å; L297-A331 HydrophobicContact CD2-CB 4.4Å; L297-L334 HydrophobicContact CD1-CD1 3.58Å; L297-L336 HydrophobicContact CD1-CD1 4.14Å; L297-I342 HydrophobicContact CD1-CD1 4.2Å
298S89.3Confident87.7Confident53 Ų5358.8 Ų58.837%0.37132%0.315SS..Hα-helixtrans-55.7-38.1-17858.90000113.6P296 S302 G327P296-S298 PolarHBondContact O-N 3.32Å; P296-S298 VanDerWaalsContact O-N 3.13Å; S298-S302 VanDerWaalsContact O-CB 3.29Å; S298-S302 WeakPolarHBondContact O-CB 3.47Å; S298-S302 PolarHBondContact O-N 2.73Å; S298-S302 PolarHBondContact O-OG 2.91Å; S298-G327 WeakPolarHBondContact CA-O 3.25Å; S298-G327 VanDerWaalsContact CB-O 3.25Å; S298-G327 WeakPolarHBondContact CB-O 3.43Å; S298-G327 PolarHBondContact N-O 3.1Å
299S88.5Confident87.1Confident82 Ų8257 Ų5757%0.57331%0.311SS*.Hα-helixtrans-62.7-46.8178.2-173.90000111L297 S302 Q303L297-S299 VanDerWaalsContact C-N 3.27Å; L297-S299 PolarHBondContact O-N 2.86Å; S299-S302 PolarHBondContact O-N 3.31Å; S299-Q303 WeakPolarHBondContact O-CB 3.41Å; S299-Q303 PolarHBondContact O-N 3.34Å
300V89.4Confident86.4Confident7 Ų759.9 Ų59.94%0.04234%0.337CS..Hα-helixtrans-63.8-46.7180178.30000110.7L278 F289 V291 L297 S302 Q303 F304L278-V300 HydrophobicContact CD1-CG1 3.93Å; L278-V300 HydrophobicContact CD2-CG1 4.11Å; F289-V300 HydrophobicContact CB-CG1 3.78Å; F289-V300 HydrophobicContact CD1-CG1 3.9Å; F289-V300 HydrophobicContact CD2-CG1 3.81Å; F289-V300 HydrophobicContact CE1-CG1 4.41Å; F289-V300 HydrophobicContact CE2-CG1 4.31Å; F289-V300 HydrophobicContact CG-CG1 3.56Å; V291-V300 HydrophobicContact CB-CG2 4.29Å; V291-V300 HydrophobicContact CG1-CG2 3.93Å; V291-V300 HydrophobicContact CG2-CG2 3.35Å; L297-V300 WeakPolarHBondContact O-CB 3.37Å; L297-V300 PolarHBondContact O-N 3.48Å; L297-V300 VanDerWaalsContact O-N 3.13Å; V300-S302 PolarHBondContact O-N 3.47Å; V300-Q303 PolarHBondContact O-N 2.89Å; V300-F304 WeakPolarHBondContact O-CB 3.37Å; V300-F304 PolarHBondContact O-N 3.24Å
301F90.1Very high85.5Confident10 Ų1058.8 Ų58.84%0.04435%0.35CS..Hα-helixtrans-63.1-42.4177.2-63.9-15.9000111.7L278 L297 Q303 F304 L305 F318 V325 I342L278-F301 HydrophobicContact CD2-CD1 4.07Å; L278-F301 HydrophobicContact CD2-CE1 4.4Å; L297-F301 HydrophobicContact CB-CD2 4.34Å; L297-F301 HydrophobicContact CB-CE1 4.23Å; L297-F301 HydrophobicContact CB-CE2 3.85Å; L297-F301 HydrophobicContact CB-CZ 3.79Å; L297-F301 HydrophobicContact CD1-CZ 3.94Å; L297-F301 WeakPolarHBondContact O-CG 3.42Å; L297-F301 PolarHBondContact O-N 2.89Å; F301-Q303 VanDerWaalsContact C-N 3.35Å; F301-Q303 PolarHBondContact O-N 3Å; F301-F304 PolarHBondContact O-N 3.31Å; F301-L305 WeakPolarHBondContact O-CB 3.47Å; F301-L305 WeakPolarHBondContact O-CG 3.08Å; F301-L305 PolarHBondContact O-N 3.31Å; F301-F318 HydrophobicContact CB-CD2 4.42Å; F301-F318 HydrophobicContact CB-CE2 3.74Å; F301-F318 HydrophobicContact CB-CZ 3.8Å; F301-F318 AromaticContact CD1-CD1 3.78Å; F301-F318 HydrophobicContact CD1-CD1 3.78Å; F301-F318 HydrophobicContact CD1-CD2 4.06Å; F301-F318 AromaticContact CD1-CE1 3.72Å; F301-F318 HydrophobicContact CD1-CE1 3.72Å; F301-F318 HydrophobicContact CD1-CE2 4.02Å; F301-F318 AromaticContact CD1-CG 3.95Å; F301-F318 HydrophobicContact CD1-CG 3.95Å; F301-F318 AromaticContact CD1-CZ 3.85Å; F301-F318 HydrophobicContact CD1-CZ 3.85Å; F301-F318 AromaticContact CD2-CD2 3.76Å; F301-F318 HydrophobicContact CD2-CD2 3.76Å; F301-F318 AromaticContact CD2-CE2 3.94Å; F301-F318 HydrophobicContact CD2-CE2 3.94Å; F301-F318 HydrophobicContact CD2-CG 4.25Å; F301-F318 HydrophobicContact CE1-CB 4.19Å; F301-F318 AromaticContact CE1-CD1 3.73Å; F301-F318 HydrophobicContact CE1-CD1 3.73Å; F301-F318 HydrophobicContact CE1-CD2 4.24Å; F301-F318 HydrophobicContact CE1-CE1 4.16Å; F301-F318 AromaticContact CE1-CG 3.78Å; F301-F318 HydrophobicContact CE1-CG 3.78Å; F301-F318 HydrophobicContact CE2-CB 4.25Å; F301-F318 AromaticContact CE2-CD2 3.95Å; F301-F318 HydrophobicContact CE2-CD2 3.95Å; F301-F318 HydrophobicContact CE2-CG 4.09Å; F301-F318 HydrophobicContact CG-CD1 4.36Å; F301-F318 AromaticContact CG-CD2 3.83Å; F301-F318 HydrophobicContact CG-CD2 3.83Å; F301-F318 HydrophobicContact CG-CE1 4.19Å; F301-F318 AromaticContact CG-CE2 3.64Å; F301-F318 HydrophobicContact CG-CE2 3.64Å; F301-F318 HydrophobicContact CG-CG 4.19Å; F301-F318 AromaticContact CG-CZ 3.83Å; F301-F318 HydrophobicContact CG-CZ 3.83Å; F301-F318 HydrophobicContact CZ-CB 3.89Å; F301-F318 HydrophobicContact CZ-CD1 4.28Å; F301-F318 HydrophobicContact CZ-CD2 4.19Å; F301-F318 AromaticContact CZ-CG 3.85Å; F301-F318 HydrophobicContact CZ-CG 3.85Å; F301-V325 HydrophobicContact CE2-CG1 3.93Å; F301-V325 HydrophobicContact CZ-CB 4.32Å; F301-V325 HydrophobicContact CZ-CG1 3.65Å; F301-I342 HydrophobicContact CE1-CD1 4.14Å; F301-I342 HydrophobicContact CE1-CG2 4.36Å; F301-I342 HydrophobicContact CZ-CD1 4.41Å
302S88.3Confident84.7Confident75 Ų7559.8 Ų59.852%0.52436%0.358SS..Hα-helixtrans-63.5-42.6177-59.10000111.4S298 S299 V300 L305 S306S298-S302 VanDerWaalsContact O-CB 3.29Å; S298-S302 WeakPolarHBondContact O-CB 3.47Å; S298-S302 PolarHBondContact O-N 2.73Å; S298-S302 PolarHBondContact O-OG 2.91Å; S299-S302 PolarHBondContact O-N 3.31Å; V300-S302 PolarHBondContact O-N 3.47Å; S302-L305 PolarHBondContact O-N 2.94Å; S302-S306 WeakPolarHBondContact O-CB 3.41Å; S302-S306 PolarHBondContact O-N 3.13Å
303Q87.8Confident84.1Confident85 Ų8561.7 Ų61.740%0.39736%0.363SS..Hα-helixtrans-62.8-43.5176.6-170.2179.72.900111.4F289 S299 V300 F301 S306F289-Q303 HydrophobicContact CE1-CB 4.13Å; F289-Q303 HydrophobicContact CE1-CG 3.91Å; S299-Q303 WeakPolarHBondContact O-CB 3.41Å; S299-Q303 PolarHBondContact O-N 3.34Å; V300-Q303 PolarHBondContact O-N 2.89Å; F301-Q303 VanDerWaalsContact C-N 3.35Å; F301-Q303 PolarHBondContact O-N 3Å; Q303-S306 PolarHBondContact O-N 3.13Å; Q303-S306 PolarHBondContact O-OG 2.87Å
304F87.7Confident83.4Confident2 Ų269 Ų691%0.00939%0.39CS..Hα-helixtrans-63.4-47.7175.1-178.6-93.8000112.1L278 Q287 F289 V300 F301 S306 R307 L308 F318 V344L278-F304 HydrophobicContact CB-CD2 3.99Å; L278-F304 HydrophobicContact CB-CE2 4.13Å; L278-F304 HydrophobicContact CD2-CB 3.69Å; L278-F304 HydrophobicContact CD2-CD1 4.29Å; L278-F304 HydrophobicContact CD2-CD2 3.88Å; L278-F304 HydrophobicContact CD2-CG 3.68Å; Q287-F304 HydrophobicContact CB-CD2 4.33Å; Q287-F304 HydrophobicContact CG-CD2 4.36Å; Q287-F304 HydrophobicContact CG-CE2 4.31Å; F289-F304 HydrophobicContact CE2-CB 4.34Å; F289-F304 HydrophobicContact CE2-CD2 4.11Å; F289-F304 HydrophobicContact CZ-CB 3.97Å; F289-F304 HydrophobicContact CZ-CD2 4.23Å; V300-F304 WeakPolarHBondContact O-CB 3.37Å; V300-F304 PolarHBondContact O-N 3.24Å; F301-F304 PolarHBondContact O-N 3.31Å; F304-S306 VanDerWaalsContact C-N 3.27Å; F304-S306 PolarHBondContact O-N 2.56Å; F304-R307 PolarHBondContact O-N 2.58Å; F304-R307 VanDerWaalsContact O-N 3.16Å; F304-L308 HydrophobicContact CD1-CD1 3.94Å; F304-L308 HydrophobicContact CE1-CD1 3.44Å; F304-L308 VanDerWaalsContact CE1-CD1 3.44Å; F304-L308 HydrophobicContact CE1-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 4.26Å; F304-L308 PolarHBondContact O-N 2.88Å; F304-F318 HydrophobicContact CD1-CE1 4.04Å; F304-F318 HydrophobicContact CD1-CZ 4.26Å; F304-F318 HydrophobicContact CE1-CE1 4.49Å; F304-V344 HydrophobicContact CD1-CG1 4.49Å; F304-V344 HydrophobicContact CD1-CG2 4.43Å; F304-V344 HydrophobicContact CE1-CB 4.17Å; F304-V344 HydrophobicContact CE1-CG1 3.53Å; F304-V344 HydrophobicContact CE1-CG2 3.77Å; F304-V344 HydrophobicContact CE2-CG2 4.43Å; F304-V344 HydrophobicContact CZ-CB 4.23Å; F304-V344 HydrophobicContact CZ-CG1 3.98Å; F304-V344 HydrophobicContact CZ-CG2 3.76Å
305L86.8Confident83.1Confident39 Ų3966 Ų6620%0.20438%0.382CS..Hα-helixtrans-63.5-31.1178.3-69173.3000112.8F301 S302 R307 L308 R313 V316 F318F301-L305 WeakPolarHBondContact O-CB 3.47Å; F301-L305 WeakPolarHBondContact O-CG 3.08Å; F301-L305 PolarHBondContact O-N 3.31Å; S302-L305 PolarHBondContact O-N 2.94Å; L305-R307 PolarHBondContact O-N 3.13Å; L305-L308 HydrophobicContact CD2-CD1 4.08Å; L305-L308 PolarHBondContact O-N 2.9Å; L305-L308 VanDerWaalsContact O-N 3.13Å; L305-R313 PolarHBondContact O-NE 3.27Å; L305-R313 VanDerWaalsContact O-NE 3.08Å; L305-V316 HydrophobicContact CD2-CB 3.71Å; L305-V316 HydrophobicContact CD2-CG1 3.85Å; L305-V316 HydrophobicContact CD2-CG2 3.7Å; L305-F318 HydrophobicContact CD2-CZ 4.33Å; L305-F318 HydrophobicContact CG-CZ 4.27Å
306S85.8Confident83.1Confident69 Ų6965.4 Ų65.448%0.48337%0.374SS..Hα-helixtrans-61.4-28.9177.378.50000112.7S302 Q303 F304 R313S302-S306 WeakPolarHBondContact O-CB 3.41Å; S302-S306 PolarHBondContact O-N 3.13Å; Q303-S306 PolarHBondContact O-N 3.13Å; Q303-S306 PolarHBondContact O-OG 2.87Å; F304-S306 VanDerWaalsContact C-N 3.27Å; F304-S306 PolarHBondContact O-N 2.56Å; S306-R313 PolarHBondContact O-NH2 3.2Å
307R81.3Confident83Confident154 Ų15468.8 Ų68.858%0.58138%0.379SS*.Hα-helixtrans-86.2-17.7179-64.1172.4175.7-168-5112.8Q287 F304 L305Q287-R307 VanDerWaalsContact OE1-CD 3.23Å; F304-R307 PolarHBondContact O-N 2.58Å; F304-R307 VanDerWaalsContact O-N 3.16Å; L305-R307 PolarHBondContact O-N 3.13Å
308L81.3Confident83Confident34 Ų3469.5 Ų69.518%0.17838%0.382CS..SBendtrans-80.1149176.4-77.8171.6000112F304 L305 R313 V316F304-L308 HydrophobicContact CD1-CD1 3.94Å; F304-L308 HydrophobicContact CE1-CD1 3.44Å; F304-L308 VanDerWaalsContact CE1-CD1 3.44Å; F304-L308 HydrophobicContact CE1-CG 4.13Å; F304-L308 HydrophobicContact CZ-CD1 4.26Å; F304-L308 PolarHBondContact O-N 2.88Å; L305-L308 HydrophobicContact CD2-CD1 4.08Å; L305-L308 PolarHBondContact O-N 2.9Å; L305-L308 VanDerWaalsContact O-N 3.13Å; L308-R313 HydrophobicContact CB-CG 4.38Å; L308-R313 PolarHBondContact O-NE 2.85Å; L308-R313 PolarHBondContact O-NH2 2.85Å; L308-V316 HydrophobicContact CD1-CG2 3.83Å
309P78.2Confident83.2Confident93 Ų9368.4 Ų68.460%0.60437%0.371SS*.  trans-63.4144.8174.524.6-31.5000111.2G311 A312 R313P309-G311 PolarHBondContact O-N 3.48Å; P309-A312 HydrophobicContact CG-CB 4.24Å; P309-A312 PolarHBondContact O-N 2.8Å; P309-R313 PolarHBondContact O-N 2.91Å
310A72.5Confident83.4Confident73 Ų7366.5 Ų66.560%0.60335%0.353SS*.THydrogen-bonded Turntrans-55.3-31.2-169.300000114.7
311G70.3Confident83.3Confident74 Ų7473.3 Ų73.376%0.76339%0.389SS*.THydrogen-bonded Turntrans-68.9-31.617700000114.2P309P309-G311 PolarHBondContact O-N 3.48Å
312A70.7Confident83.1Confident28 Ų2876.2 Ų76.223%0.23142%0.421CS..THydrogen-bonded Turntrans-80.8-26.7-179.300000112.5P309 R314 S315 V316P309-A312 HydrophobicContact CG-CB 4.24Å; P309-A312 PolarHBondContact O-N 2.8Å; A312-R314 PolarHBondContact O-N 3.07Å; A312-R314 VanDerWaalsContact O-N 3.1Å; A312-S315 PolarHBondContact O-N 3.24Å; A312-V316 WeakPolarHBondContact O-CG2 3.31Å
313R74.8Confident83.2Confident112 Ų11276.4 Ų76.442%0.42342%0.423SS..THydrogen-bonded Turntrans-57.4-31.1-173.2-64-179.8-171.8-174.2-3.3114.4L305 S306 L308 P309L305-R313 PolarHBondContact O-NE 3.27Å; L305-R313 VanDerWaalsContact O-NE 3.08Å; S306-R313 PolarHBondContact O-NH2 3.2Å; L308-R313 HydrophobicContact CB-CG 4.38Å; L308-R313 PolarHBondContact O-NE 2.85Å; L308-R313 PolarHBondContact O-NH2 2.85Å; P309-R313 PolarHBondContact O-N 2.91Å
314R73.4Confident83.4Confident247 Ų24779.3 Ų79.393%0.93243%0.434SS*.THydrogen-bonded Turntrans-82.2-17.2-175.3-69.3-175.6177.7178.4-0.4114.2A312A312-R314 PolarHBondContact O-N 3.07Å; A312-R314 VanDerWaalsContact O-N 3.1Å
315S79.1Confident83.6Confident51 Ų5179.5 Ų79.536%0.35744%0.436SS..THydrogen-bonded Turntrans-103.5-10.5-177.4-167.30000113.4A312 R317 T346A312-S315 PolarHBondContact O-N 3.24Å; S315-R317 PolarHBondContact O-N 3.41Å; S315-T346 WeakPolarHBondContact CB-OXT 3.49Å; S315-T346 PolarHBondContact OG-OXT 3.18Å
316V87.1Confident83.8Confident22 Ų2279.7 Ų79.713%0.13344%0.443CS..  trans-65.1130.2-173.6178.70000111.7L305 L308 A312 F318 V344 W345 T346L305-V316 HydrophobicContact CD2-CB 3.71Å; L305-V316 HydrophobicContact CD2-CG1 3.85Å; L305-V316 HydrophobicContact CD2-CG2 3.7Å; L308-V316 HydrophobicContact CD1-CG2 3.83Å; A312-V316 WeakPolarHBondContact O-CG2 3.31Å; V316-F318 HydrophobicContact CG1-CE1 4.11Å; V316-F318 HydrophobicContact CG1-CE2 3.94Å; V316-F318 HydrophobicContact CG1-CZ 3.71Å; V316-V344 HydrophobicContact CG1-CG1 3.51Å; V316-W345 CarbonylContact C-O 3.52Å; V316-W345 VanDerWaalsContact CA-O 3.27Å; V316-W345 WeakPolarHBondContact CA-O 3.17Å; V316-T346 HydrophobicContact CG2-CG2 3.83Å
317R89.2Confident83.9Confident135 Ų13577.5 Ų77.551%0.50943%0.431SS..EExtended strand (participates in β ladder)trans-128.3134.9173.1-72.6175.2-93.7-154.4-5.4109.3S315 W345S315-R317 PolarHBondContact O-N 3.41Å; R317-W345 HydrophobicContact CB-CB 4.36Å; R317-W345 PolarHBondContact N-O 3.17Å; R317-W345 WeakPolarHBondContact O-CB 3.49Å; R317-W345 PolarHBondContact O-N 3.07Å
318F91.8Very high84.3Confident14 Ų1474.8 Ų74.86%0.06144%0.436CS..EExtended strand (participates in β ladder)trans-97.5135178.3-59-81.8000109.4L278 F301 F304 L305 V316 K324 V325 I342 E343 V344L278-F318 HydrophobicContact CD2-CD1 4.39Å; L278-F318 HydrophobicContact CD2-CE1 3.92Å; F301-F318 HydrophobicContact CB-CD2 4.42Å; F301-F318 HydrophobicContact CB-CE2 3.74Å; F301-F318 HydrophobicContact CB-CZ 3.8Å; F301-F318 AromaticContact CD1-CD1 3.78Å; F301-F318 HydrophobicContact CD1-CD1 3.78Å; F301-F318 HydrophobicContact CD1-CD2 4.06Å; F301-F318 AromaticContact CD1-CE1 3.72Å; F301-F318 HydrophobicContact CD1-CE1 3.72Å; F301-F318 HydrophobicContact CD1-CE2 4.02Å; F301-F318 AromaticContact CD1-CG 3.95Å; F301-F318 HydrophobicContact CD1-CG 3.95Å; F301-F318 AromaticContact CD1-CZ 3.85Å; F301-F318 HydrophobicContact CD1-CZ 3.85Å; F301-F318 AromaticContact CD2-CD2 3.76Å; F301-F318 HydrophobicContact CD2-CD2 3.76Å; F301-F318 AromaticContact CD2-CE2 3.94Å; F301-F318 HydrophobicContact CD2-CE2 3.94Å; F301-F318 HydrophobicContact CD2-CG 4.25Å; F301-F318 HydrophobicContact CE1-CB 4.19Å; F301-F318 AromaticContact CE1-CD1 3.73Å; F301-F318 HydrophobicContact CE1-CD1 3.73Å; F301-F318 HydrophobicContact CE1-CD2 4.24Å; F301-F318 HydrophobicContact CE1-CE1 4.16Å; F301-F318 AromaticContact CE1-CG 3.78Å; F301-F318 HydrophobicContact CE1-CG 3.78Å; F301-F318 HydrophobicContact CE2-CB 4.25Å; F301-F318 AromaticContact CE2-CD2 3.95Å; F301-F318 HydrophobicContact CE2-CD2 3.95Å; F301-F318 HydrophobicContact CE2-CG 4.09Å; F301-F318 HydrophobicContact CG-CD1 4.36Å; F301-F318 AromaticContact CG-CD2 3.83Å; F301-F318 HydrophobicContact CG-CD2 3.83Å; F301-F318 HydrophobicContact CG-CE1 4.19Å; F301-F318 AromaticContact CG-CE2 3.64Å; F301-F318 HydrophobicContact CG-CE2 3.64Å; F301-F318 HydrophobicContact CG-CG 4.19Å; F301-F318 AromaticContact CG-CZ 3.83Å; F301-F318 HydrophobicContact CG-CZ 3.83Å; F301-F318 HydrophobicContact CZ-CB 3.89Å; F301-F318 HydrophobicContact CZ-CD1 4.28Å; F301-F318 HydrophobicContact CZ-CD2 4.19Å; F301-F318 AromaticContact CZ-CG 3.85Å; F301-F318 HydrophobicContact CZ-CG 3.85Å; F304-F318 HydrophobicContact CD1-CE1 4.04Å; F304-F318 HydrophobicContact CD1-CZ 4.26Å; F304-F318 HydrophobicContact CE1-CE1 4.49Å; L305-F318 HydrophobicContact CD2-CZ 4.33Å; L305-F318 HydrophobicContact CG-CZ 4.27Å; V316-F318 HydrophobicContact CG1-CE1 4.11Å; V316-F318 HydrophobicContact CG1-CE2 3.94Å; V316-F318 HydrophobicContact CG1-CZ 3.71Å; F318-K324 WeakPolarHBondContact O-CA 3.25Å; F318-V325 HydrophobicContact CB-CB 4.21Å; F318-V325 PolarHBondContact O-N 2.76Å; F318-I342 HydrophobicContact CB-CG2 3.97Å; F318-I342 HydrophobicContact CD1-CG2 4.14Å; F318-E343 CarbonylContact C-O 3.59Å; F318-E343 WeakPolarHBondContact CA-O 3.49Å; F318-V344 HydrophobicContact CD1-CG2 3.94Å; F318-V344 HydrophobicContact CE1-CG1 4.34Å; F318-V344 HydrophobicContact CE1-CG2 3.86Å
319H92.5Very high84.8Confident30 Ų3075.7 Ų75.714%0.13944%0.439CS..EExtended strand (participates in β ladder)trans-130.3143.3176.1-63.681.4000110.7S323 I342 E343 W345H319-S323 CarbonylContact C-O 3.47Å; H319-S323 WeakPolarHBondContact CA-O 3.36Å; H319-I342 CarbonylContact O-C 3.57Å; H319-E343 HydrophobicContact CB-CB 4.43Å; H319-E343 PolarHBondContact N-O 3.44Å; H319-E343 PolarHBondContact O-N 2.84Å; H319-W345 AromaticContact ND1-CD1 3.5Å; H319-W345 AromaticContact ND1-CG 3.6Å; H319-W345 AromaticContact ND1-NE1 3.88Å
320F92.6Very high85.5Confident42 Ų4272.1 Ų72.118%0.18442%0.416CS..EExtended strand (participates in β ladder)trans-135129.6171.4177.9-107.2000107.1G322 S323 V325 L334 L336 D340F320-G322 PolarHBondContact O-N 3.22Å; F320-S323 PolarHBondContact N-O 2.95Å; F320-S323 PolarHBondContact O-N 3.04Å; F320-V325 HydrophobicContact CB-CG2 3.53Å; F320-L334 VanDerWaalsContact CE1-O 3.29Å; F320-L334 WeakPolarHBondContact CE1-O 3.29Å; F320-L336 HydrophobicContact CD1-CD2 3.75Å; F320-L336 HydrophobicContact CD2-CD2 3.44Å; F320-L336 VanDerWaalsContact CD2-CD2 3.44Å; F320-L336 HydrophobicContact CE1-CD2 3.56Å; F320-L336 HydrophobicContact CE2-CD2 3.25Å; F320-L336 HydrophobicContact CG-CD2 3.69Å; F320-L336 HydrophobicContact CZ-CD2 3.32Å; F320-D340 HydrophobicContact CE2-CB 4.04Å
321D88.4Confident86.4Confident150 Ų15068.7 Ų68.780%0.80239%0.387SS*.THydrogen-bonded Turntrans46.844.3-175.1-16227.7000114S323D321-S323 PolarHBondContact O-N 3.49Å
322G86.1Confident87.3Confident71 Ų7167.4 Ų67.473%0.73237%0.369SS*.THydrogen-bonded Turntrans72.8-5-178.500000115.8F320F320-G322 PolarHBondContact O-N 3.22Å
323S89.7Confident88.2Confident80 Ų8072.3 Ų72.356%0.55939%0.387SS*.EExtended strand (participates in β ladder)trans-98.4143178.9-670000111.8H319 F320 D321 V325H319-S323 CarbonylContact C-O 3.47Å; H319-S323 WeakPolarHBondContact CA-O 3.36Å; F320-S323 PolarHBondContact N-O 2.95Å; F320-S323 PolarHBondContact O-N 3.04Å; D321-S323 PolarHBondContact O-N 3.49Å; S323-V325 PolarHBondContact O-N 3.18Å
324K91.8Very high89Confident146 Ų14668.4 Ų68.464%0.63538%0.375SS*.EExtended strand (participates in β ladder)trans-72.3127.6178.8-175.2-176.2176.5-1720110.5F318F318-K324 WeakPolarHBondContact O-CA 3.25Å
325V92.3Very high89.8Confident6 Ų664.6 Ų64.64%0.03637%0.368CS..EExtended strand (participates in β ladder)trans-96.3130.9177.4-178.20000110.6L297 F301 F318 F320 S323 L334L297-V325 HydrophobicContact CD1-CG1 3.81Å; F301-V325 HydrophobicContact CE2-CG1 3.93Å; F301-V325 HydrophobicContact CZ-CB 4.32Å; F301-V325 HydrophobicContact CZ-CG1 3.65Å; F318-V325 HydrophobicContact CB-CB 4.21Å; F318-V325 PolarHBondContact O-N 2.76Å; F320-V325 HydrophobicContact CB-CG2 3.53Å; S323-V325 PolarHBondContact O-N 3.18Å; V325-L334 HydrophobicContact CB-CD1 4.41Å; V325-L334 HydrophobicContact CG1-CD1 3.45Å; V325-L334 VanDerWaalsContact CG1-CD1 3.45Å; V325-L334 HydrophobicContact CG2-CD1 4.08Å; V325-L334 HydrophobicContact CG2-CD2 4.44Å
326A90.9Very high90.4Very high43 Ų4362.2 Ų62.236%0.35535%0.351SS..PPolyproline II helixtrans-97.4145.3172.300000110.7S328 Q329A326-S328 PolarHBondContact O-N 3.11Å; A326-S328 VanDerWaalsContact O-N 3.11Å; A326-Q329 HydrophobicContact CB-CG 4.33Å; A326-Q329 WeakPolarHBondContact O-CB 3.13Å; A326-Q329 PolarHBondContact O-N 2.83Å
327G87.9Confident90.6Very high23 Ų2367.1 Ų67.124%0.23737%0.372CS..THydrogen-bonded Turntrans-65-14178.300000114.7L297 S298 Q329L297-G327 PolarHBondContact N-O 2.9Å; S298-G327 WeakPolarHBondContact CA-O 3.25Å; S298-G327 VanDerWaalsContact CB-O 3.25Å; S298-G327 WeakPolarHBondContact CB-O 3.43Å; S298-G327 PolarHBondContact N-O 3.1Å; G327-Q329 VanDerWaalsContact C-N 3.34Å
328S90.4Very high90.6Very high96 Ų9665.8 Ų65.867%0.67138%0.375SS*.THydrogen-bonded Turntrans-80.3-16174.156.20000113.4A326A326-S328 PolarHBondContact O-N 3.11Å; A326-S328 VanDerWaalsContact O-N 3.11Å
329Q91.9Very high90.4Very high53 Ų5367.2 Ų67.225%0.24839%0.394CS..SBendtrans-76153.4178.1-66.8174-60.800110.3P296 L297 A326 G327 L334P296-Q329 WeakPolarHBondContact CA-O 3.45Å; L297-Q329 WeakPolarHBondContact CG-O 3.44Å; L297-Q329 PolarHBondContact N-O 3.4Å; A326-Q329 HydrophobicContact CB-CG 4.33Å; A326-Q329 WeakPolarHBondContact O-CB 3.13Å; A326-Q329 PolarHBondContact O-N 2.83Å; G327-Q329 VanDerWaalsContact C-N 3.34Å; Q329-L334 HydrophobicContact CB-CD1 3.99Å; Q329-L334 HydrophobicContact CB-CG 4.24Å
330T91.8Very high90.4Very high19 Ų1967.8 Ų67.812%0.11740%0.398CS..BIsolated β-bridgetrans-103.4161.2177.172.90000110.6R293 E294 A295 A332 Q333 L334R293-T330 VanDerWaalsContact O-CB 3.26Å; R293-T330 WeakPolarHBondContact O-CB 3.38Å; R293-T330 PolarHBondContact O-OG1 2.82Å; E294-T330 VanDerWaalsContact O-CG2 3.31Å; E294-T330 WeakPolarHBondContact O-CG2 3.29Å; A295-T330 WeakPolarHBondContact O-CA 3.16Å; A295-T330 WeakPolarHBondContact O-CB 3.43Å; T330-A332 VanDerWaalsContact C-N 3.29Å; T330-A332 PolarHBondContact O-N 2.8Å; T330-Q333 PolarHBondContact O-N 3.31Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.44Å; T330-Q333 PolarHBondContact OG1-N 3.32Å; T330-L334 PolarHBondContact O-N 3.42Å
331A91.1Very high90.3Very high0 Ų069.1 Ų69.10%041%0.407CS..THydrogen-bonded Turntrans-62.6-36.5177.700000112.4R293 L297 Q333 L334 E335 L336R293-A331 PolarHBondContact O-N 2.85Å; L297-A331 HydrophobicContact CD2-CB 4.4Å; A331-Q333 PolarHBondContact O-N 3.04Å; A331-L334 CarbonylContact O-C 3.57Å; A331-L334 PolarHBondContact O-N 3.33Å; A331-E335 PolarHBondContact O-N 3.32Å; A331-E335 VanDerWaalsContact O-N 3.13Å; A331-L336 HydrophobicContact CB-CB 4.06Å; A331-L336 HydrophobicContact CB-CD1 4.01Å; A331-L336 HydrophobicContact CB-CG 4.47Å; A331-L336 PolarHBondContact O-N 3.36Å
332A89.6Confident90.5Very high48 Ų4862 Ų6240%0.39737%0.369SS..THydrogen-bonded Turntrans-64.1-37.2174.900000113.3R293 T330 L334 E335R293-A332 HydrophobicContact CB-CB 4.2Å; R293-A332 WeakPolarHBondContact O-CB 3.43Å; R293-A332 PolarHBondContact O-N 2.91Å; T330-A332 VanDerWaalsContact C-N 3.29Å; T330-A332 PolarHBondContact O-N 2.8Å; A332-L334 VanDerWaalsContact C-N 3.25Å; A332-L334 PolarHBondContact O-N 3.13Å; A332-E335 PolarHBondContact O-N 2.92Å
333Q90.9Very high90.8Very high130 Ų13063 Ų6361%0.60735%0.354SS*.THydrogen-bonded Turntrans-69-26.9178.8-75.4173.7-7.500113T330 A331 E335T330-Q333 PolarHBondContact O-N 3.31Å; T330-Q333 WeakPolarHBondContact OG1-CG 3.44Å; T330-Q333 PolarHBondContact OG1-N 3.32Å; A331-Q333 PolarHBondContact O-N 3.04Å; Q333-E335 VanDerWaalsContact C-N 3.35Å
334L90.9Very high90.8Very high30 Ų3059.2 Ų59.216%0.15733%0.328CS..THydrogen-bonded Turntrans-96.75.6178.2-64.9169.4000111.8L297 F320 V325 Q329 T330 A331 A332 L336L297-L334 HydrophobicContact CD1-CD1 3.58Å; F320-L334 VanDerWaalsContact CE1-O 3.29Å; F320-L334 WeakPolarHBondContact CE1-O 3.29Å; V325-L334 HydrophobicContact CB-CD1 4.41Å; V325-L334 HydrophobicContact CG1-CD1 3.45Å; V325-L334 VanDerWaalsContact CG1-CD1 3.45Å; V325-L334 HydrophobicContact CG2-CD1 4.08Å; V325-L334 HydrophobicContact CG2-CD2 4.44Å; Q329-L334 HydrophobicContact CB-CD1 3.99Å; Q329-L334 HydrophobicContact CB-CG 4.24Å; T330-L334 PolarHBondContact O-N 3.42Å; A331-L334 CarbonylContact O-C 3.57Å; A331-L334 PolarHBondContact O-N 3.33Å; A332-L334 VanDerWaalsContact C-N 3.25Å; A332-L334 PolarHBondContact O-N 3.13Å; L334-L336 HydrophobicContact CB-CD1 4.19Å; L334-L336 HydrophobicContact CB-CD2 4.44Å; L334-L336 HydrophobicContact CB-CG 3.84Å; L334-L336 HydrophobicContact CD1-CD1 4.28Å; L334-L336 PolarHBondContact O-N 3.47Å
335E90.4Very high90.5Very high167 Ų16757 Ų5778%0.7832%0.316SS*.THydrogen-bonded Turntrans51.937.4-177.4-59.3-175159.100113A331 A332 Q333A331-E335 PolarHBondContact O-N 3.32Å; A331-E335 VanDerWaalsContact O-N 3.13Å; A332-E335 PolarHBondContact O-N 2.92Å; Q333-E335 VanDerWaalsContact C-N 3.35Å
336L91.2Very high89.9Confident1 Ų161.7 Ų61.71%0.00534%0.344CS..  trans-73.1133.3-179-62.6173.2000111.7L276 L297 F320 A331 L334 D340 I342L276-L336 HydrophobicContact CD1-CD1 3.63Å; L276-L336 HydrophobicContact CD2-CB 3.74Å; L276-L336 HydrophobicContact CD2-CD1 3.85Å; L276-L336 HydrophobicContact CD2-CD2 4.37Å; L276-L336 HydrophobicContact CD2-CG 4.2Å; L276-L336 HydrophobicContact CG-CD1 4.42Å; L297-L336 HydrophobicContact CD1-CD1 4.14Å; F320-L336 HydrophobicContact CD1-CD2 3.75Å; F320-L336 HydrophobicContact CD2-CD2 3.44Å; F320-L336 VanDerWaalsContact CD2-CD2 3.44Å; F320-L336 HydrophobicContact CE1-CD2 3.56Å; F320-L336 HydrophobicContact CE2-CD2 3.25Å; F320-L336 HydrophobicContact CG-CD2 3.69Å; F320-L336 HydrophobicContact CZ-CD2 3.32Å; A331-L336 HydrophobicContact CB-CB 4.06Å; A331-L336 HydrophobicContact CB-CD1 4.01Å; A331-L336 HydrophobicContact CB-CG 4.47Å; A331-L336 PolarHBondContact O-N 3.36Å; L334-L336 HydrophobicContact CB-CD1 4.19Å; L334-L336 HydrophobicContact CB-CD2 4.44Å; L334-L336 HydrophobicContact CB-CG 3.84Å; L334-L336 HydrophobicContact CD1-CD1 4.28Å; L334-L336 PolarHBondContact O-N 3.47Å; L336-D340 VanDerWaalsContact CA-OD2 3.29Å; L336-D340 WeakPolarHBondContact CA-OD2 3.26Å; L336-D340 HydrophobicContact CD2-CB 4.08Å; L336-I342 HydrophobicContact CD1-CD1 4.12Å
337E90.8Very high89.8Confident126 Ų12662.7 Ų62.759%0.58934%0.344SS*.  trans-115167.9177.5-61.9-166.814800112.6V274 G339 D340V274-E337 WeakPolarHBondContact CG1-O 3.28Å; E337-G339 PolarHBondContact O-N 3.24Å; E337-D340 PolarHBondContact N-OD2 2.6Å; E337-D340 VanDerWaalsContact O-CB 3.28Å; E337-D340 WeakPolarHBondContact O-CB 3.34Å; E337-D340 PolarHBondContact O-N 3.23Å; E337-D340 VanDerWaalsContact O-N 3.09Å
338D89.4Confident89.9Confident106 Ų10664.7 Ų64.757%0.56735%0.349SS*.THydrogen-bonded Turntrans-63.6122.4-177.3-80.6-62.7000111.4V274 S275V274-D338 WeakPolarHBondContact CA-OD1 3.38Å; S275-D338 WeakPolarHBondContact CB-OD1 3.42Å; S275-D338 PolarHBondContact N-OD1 3.07Å; S275-D338 PolarHBondContact OG-OD1 2.94Å
339G87.3Confident89.9Confident45 Ų4563 Ų6346%0.46433%0.332SS..THydrogen-bonded Turntrans95-1-17700000114.5S275 E337S275-G339 PolarHBondContact O-N 3.22Å; S275-G339 PolarHBondContact OG-N 3.26Å; E337-G339 PolarHBondContact O-N 3.24Å
340D92.5Very high89.8Confident41 Ų4163.6 Ų63.622%0.21934%0.336CS..  trans-62.4149.1178.5-84.7-12000113.3L276 K277 F320 L336 E337L276-D340 HydrophobicContact CD2-CB 4.11Å; K277-D340 PolarHBondContact N-O 3.16Å; F320-D340 HydrophobicContact CE2-CB 4.04Å; L336-D340 VanDerWaalsContact CA-OD2 3.29Å; L336-D340 WeakPolarHBondContact CA-OD2 3.26Å; L336-D340 HydrophobicContact CD2-CB 4.08Å; E337-D340 PolarHBondContact N-OD2 2.6Å; E337-D340 VanDerWaalsContact O-CB 3.28Å; E337-D340 WeakPolarHBondContact O-CB 3.34Å; E337-D340 PolarHBondContact O-N 3.23Å; E337-D340 VanDerWaalsContact O-N 3.09Å
341I91.8Very high89.6Confident71 Ų7166.4 Ų66.436%0.36435%0.35SS..EExtended strand (participates in β ladder)trans-113120.4-173.7-52.6178.9000110.3K277 Q279K277-I341 HydrophobicContact CB-CG1 4.24Å; K277-I341 HydrophobicContact CD-CG1 4.36Å; K277-I341 CarbonylContact O-C 3.54Å; K277-I341 VanDerWaalsContact O-CA 3.25Å; K277-I341 WeakPolarHBondContact O-CA 3.29Å; K277-I341 WeakPolarHBondContact O-CG2 3.21Å; Q279-I341 HydrophobicContact CB-CG2 3.71Å
342I92.2Very high89.5Confident1 Ų170.8 Ų70.81%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-95.1119.1168.6-60.8179.4000108.3L276 K277 L278 Q279 L297 F301 F318 H319 L336L276-I342 HydrophobicContact CD1-CD1 4.11Å; K277-I342 PolarHBondContact O-N 2.76Å; L278-I342 WeakPolarHBondContact CA-O 3.27Å; L278-I342 HydrophobicContact CD1-CB 4.06Å; L278-I342 HydrophobicContact CD1-CD1 4.16Å; L278-I342 HydrophobicContact CD1-CG1 4.47Å; L278-I342 HydrophobicContact CG-CB 4.2Å; L278-I342 HydrophobicContact CG-CG2 4.48Å; Q279-I342 PolarHBondContact N-O 3.41Å; L297-I342 HydrophobicContact CD1-CD1 4.2Å; F301-I342 HydrophobicContact CE1-CD1 4.14Å; F301-I342 HydrophobicContact CE1-CG2 4.36Å; F301-I342 HydrophobicContact CZ-CD1 4.41Å; F318-I342 HydrophobicContact CB-CG2 3.97Å; F318-I342 HydrophobicContact CD1-CG2 4.14Å; H319-I342 CarbonylContact O-C 3.57Å; L336-I342 HydrophobicContact CD1-CD1 4.12Å
343E91.7Very high89.5Confident91 Ų9172.4 Ų72.443%0.42537%0.372SS..EExtended strand (participates in β ladder)trans-77.6132.1177.4-62.7-170.7168.600111.4Q279 F318 H319 W345Q279-E343 CarbonylContact O-C 3.58Å; Q279-E343 WeakPolarHBondContact O-CA 3.42Å; F318-E343 CarbonylContact C-O 3.59Å; F318-E343 WeakPolarHBondContact CA-O 3.49Å; H319-E343 HydrophobicContact CB-CB 4.43Å; H319-E343 PolarHBondContact N-O 3.44Å; H319-E343 PolarHBondContact O-N 2.84Å; E343-W345 PolarHBondContact OE2-NE1 2.92Å
344V90.5Very high89.4Confident1 Ų168 Ų681%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-104.7116.2176.6-1760000108.8L278 Q279 R281 F304 V316 F318L278-V344 HydrophobicContact CB-CG2 4.19Å; L278-V344 HydrophobicContact CG-CG2 4.42Å; Q279-V344 PolarHBondContact O-N 3.42Å; R281-V344 PolarHBondContact N-O 2.89Å; F304-V344 HydrophobicContact CD1-CG1 4.49Å; F304-V344 HydrophobicContact CD1-CG2 4.43Å; F304-V344 HydrophobicContact CE1-CB 4.17Å; F304-V344 HydrophobicContact CE1-CG1 3.53Å; F304-V344 HydrophobicContact CE1-CG2 3.77Å; F304-V344 HydrophobicContact CE2-CG2 4.43Å; F304-V344 HydrophobicContact CZ-CB 4.23Å; F304-V344 HydrophobicContact CZ-CG1 3.98Å; F304-V344 HydrophobicContact CZ-CG2 3.76Å; V316-V344 HydrophobicContact CG1-CG1 3.51Å; F318-V344 HydrophobicContact CD1-CG2 3.94Å; F318-V344 HydrophobicContact CE1-CG1 4.34Å; F318-V344 HydrophobicContact CE1-CG2 3.86Å
345W86.2Confident89.3Confident100 Ų10071.2 Ų71.238%0.37937%0.37SS..EExtended strand (participates in β ladder)trans-106.5114.5179.4-70.750000108.8V316 R317 H319 E343V316-W345 CarbonylContact C-O 3.52Å; V316-W345 VanDerWaalsContact CA-O 3.27Å; V316-W345 WeakPolarHBondContact CA-O 3.17Å; R317-W345 HydrophobicContact CB-CB 4.36Å; R317-W345 PolarHBondContact N-O 3.17Å; R317-W345 WeakPolarHBondContact O-CB 3.49Å; R317-W345 PolarHBondContact O-N 3.07Å; H319-W345 AromaticContact ND1-CD1 3.5Å; H319-W345 AromaticContact ND1-CG 3.6Å; H319-W345 AromaticContact ND1-NE1 3.88Å; E343-W345 PolarHBondContact OE2-NE1 2.92Å
346T77.8Confident89.2Confident104 Ų10462.5 Ų62.564%0.63833%0.333SS*.  trans-99.60175.457.30000111.3S315 V316S315-T346 WeakPolarHBondContact CB-OXT 3.49Å; S315-T346 PolarHBondContact OG-OXT 3.18Å; V316-T346 HydrophobicContact CG2-CG2 3.83Å

Retrieved 346 of 346 residues in 168.2 ms (Link to these results)