A0A061I8T7_CRIGR Loading...

RNA-binding protein FUS

DNA/RNA-binding protein that plays a role in various cellular processes such as transcription regulation, RNA splicing, RNA transport, DNA repair and damage response. Binds to ssRNA containing the consensus sequence 5'-AGGUAA-3'. Binds to nascent pre-mRNAs and acts as a molecular mediator between RNA polymerase II and U1 small nuclear ribonucleoprotein thereby coupling transcription and splicing. Also binds its own pre-mRNA and autoregulates its expression; this autoregulation mechanism is mediated by non-sense-mediated decay. Plays a role in DNA repair mechanisms by promoting D-loop formation and homologous recombination during DNA double-strand break repair. In neuronal cells, plays crucial roles in dendritic spine formation and stability, RNA transport, mRNA stability and synaptic homeostasis.

AlphaFold DB , UniProt , Accession A0A061I8T7, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Fus, Length 517 aa.

Structure Viewer
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M39.1Very low38.9Very low239 Ų239147.8 Ų147.8100%1.17781%0.813SS**  093.80-58.3165-170.900104.6
2A39.3Very low39Very low93 Ų93150.9 Ų150.977%0.76982%0.818SS**  68.6126.752.800000111.6
3S43.2Very low38.4Very low99 Ų99147.8 Ų147.869%0.69281%0.814SS**  cis-161.2-176.5-13.3-68.40000108.2
4N40.7Very low38Very low144 Ų144153.9 Ų153.977%0.7782%0.821SS**  trans73.3154.1157.3-62.220.4000116.4
5D40Very low37.6Very low134 Ų134148.6 Ų148.672%0.71782%0.818SS**  cis-149.5-170.7-5.5-131.3-55000114.2
6Y38.6Very low37.3Very low204 Ų204145.4 Ų145.480%0.882%0.817SS**  trans-58.3164.8-165.8-122.3-112000120.3
7T41.1Very low37.1Very low111 Ų111149.9 Ų149.968%0.68182%0.82SS**  trans-98175.117249.70000113.4
8Q40.7Very low37.8Very low184 Ų184148.6 Ų148.686%0.8682%0.82SS**  trans82.5123.4168.5-53.9-161.599.400117.8
9Q35.1Very low37.5Very low202 Ų202147.2 Ų147.294%0.94482%0.816SS**  trans-81.6132.4164.8-67.4172.7-51.100109.4
10A33.9Very low37.5Very low99 Ų99148.4 Ų148.482%0.81882%0.816SS**  trans-106.9153.7171.900000111.8
11T36.8Very low37.8Very low117 Ų117147 Ų14772%0.71881%0.813SS**  trans-46.6149.2179.440.40000118.7
12Q39.1Very low37.6Very low185 Ų185138.6 Ų138.686%0.86479%0.789SS**  trans69.3133.6144.2-68.5167.921.300120.8
13S31.5Very low37.4Very low111 Ų111144 Ų14478%0.77680%0.798SS**  trans-163.7165.4131-1630000112.4
14Y33Very low36.8Very low232 Ų232142 Ų14291%0.9179%0.793SS**  trans86.5105.8-167.6-62.2-69.8000113.8
15G32.8Very low36.3Very low75 Ų75146 Ų14677%0.77380%0.799SS**  cis102.6136.710.200000111.9
16A31.7Very low35.9Very low97 Ų97144.2 Ų144.280%0.80280%0.797SS**  cis-158.8-176.5-1.700000112.1
17Y33.9Very low35.6Very low222 Ų222142 Ų14287%0.87179%0.794SS**  trans-40.6163.5171.1-63.8-74.4000116.7
18P50Low35.2Very low127 Ų127144.3 Ų144.383%0.82580%0.797SS**  cis-151.9-156.347.244.9-21.5000119
19T33.1Very low34.7Very low121 Ų121140.6 Ų140.674%0.74279%0.791SS**  trans-119157.5-154.7160000115.8
20Q36.5Very low34.4Very low172 Ų172138.7 Ų138.780%0.80479%0.787SS**  trans66.1175.1152.2-73.2-76-3600115.5
21P44.4Very low34.5Very low118 Ų118142.4 Ų142.477%0.76679%0.788SS**  cis-135.3169.78.443.6-27.3000118.4
22G33.6Very low35.1Very low64 Ų64141.6 Ų141.666%0.6678%0.784SS**  trans61.9158.9145.200000119.7
23Q34.9Very low34.7Very low205 Ų205143 Ų14396%0.95878%0.783SS**  cis-146170.9-3.9-56.31802.300106.5
24G32.2Very low34.6Very low57 Ų57140.6 Ų140.659%0.58878%0.776SS**  cis170.1155.4-3.600000110.9
25Y28.8Very low34.5Very low229 Ų229137 Ų13790%0.89877%0.767SS**  trans28145.8130.5-60.9-70.3000121.2
26S32.6Very low34.6Very low96 Ų96141.7 Ų141.767%0.67177%0.769SS**  cis-176.9153.34.441.50000114.3
27Q32.1Very low34.3Very low158 Ų158141.4 Ų141.474%0.73876%0.761SS**  trans60.3118137.5-64.8-73.561.700122.7
28Q33.3Very low34Very low160 Ų160141.3 Ų141.375%0.74876%0.761SS**  63.4115.9118-169.7-178.5-4.100121.4
29S28.9Very low33.1Very low106 Ų106140 Ų14074%0.74176%0.755SS**  178.8157.9122430000115.5
30N28.6Very low32.8Very low161 Ų161137.4 Ų137.486%0.86175%0.753SS**  trans69.3117.4153.6-71.25.8000124.5
31Q36.9Very low32.4Very low177 Ų177140 Ų14083%0.82776%0.756SS**  trans-70.7-179.5143.1-72-86.8-27.800110.6
32P49.8Very low31.7Very low100 Ų100137.9 Ų137.965%0.64976%0.756SS**  cis-139.9-15312.635.4-10000114.9
33Y30Very low31.5Very low215 Ų215143.9 Ų143.984%0.84377%0.767SS**  trans77.1139.5175.9-86.6-96.2000117.9
34G30.4Very low31.3Very low60 Ų60140.2 Ų140.262%0.61976%0.764SS**  cis154.8146.1-14.100000115.3
35Q31Very low31.2Very low157 Ų157141.5 Ų141.573%0.73477%0.769SS**  trans67.9151.8174.3-48.6-63-1.900116
36Q33.6Very low31.1Very low174 Ų174137.9 Ų137.981%0.81377%0.765SS**  cis-120.9156.4-13.4-92.5125.6-22.100108.4
37S25.6Very low31Very low90 Ų90139.8 Ų139.863%0.62977%0.773SS**  cis90.784.525.9-55.30000116.3
38Y28Very low31Very low220 Ų220137.1 Ų137.186%0.86377%0.771SS**  trans-139.9116.4138.4-122.2-102.7000105.2
39S29.9Very low31Very low99 Ų99132.8 Ų132.869%0.69277%0.77SS**  50.711277.2-61.50000111.3
40G26.7Very low30.9Very low68 Ų68138.3 Ų138.370%0.70178%0.776SS**  cis109.3105.3800000110.8
41Y28.3Very low31Very low226 Ų226134.1 Ų134.189%0.88677%0.771SS**  trans-131.894.6168.5-80-74.6000109.1
42G31.3Very low30.6Very low73 Ų73134.5 Ų134.575%0.75377%0.773SS**  trans-88140.2147.300000108
43Q29.4Very low29.5Very low191 Ų191134.2 Ų134.289%0.89377%0.773SS**  trans-126.8110.5159.9-90.3-170.5-24.800109.1
44S29.2Very low29.3Very low127 Ų127127.7 Ų127.789%0.88876%0.759SS**  trans-93.2130.4159.7-480000107.5
45A31.3Very low29.1Very low84 Ų84136.2 Ų136.269%0.69477%0.774SS**  trans-167.3113.415400000110.6
46D27.2Very low28.9Very low154 Ų154131.9 Ų131.982%0.82477%0.771SS**  trans46.6120.2133.4-46.2-31.2000121.1
47T29.8Very low28.6Very low136 Ų136129.2 Ų129.283%0.83477%0.772SS**  -154.1142.8101.7-71.70000110.7
48S32.8Very low28.7Very low101 Ų101129.9 Ų129.971%0.70678%0.777SS**  trans-40.5158.8171.3-44.30000114.8
49G31.3Very low28.5Very low70 Ų70130.5 Ų130.572%0.72278%0.779SS**  cis151.117923.300000106.1
50Y27.7Very low28.5Very low222 Ų222128.9 Ų128.987%0.87178%0.778SS**  cis-133.6155.4-2.3-81.1-110.8000106.4
51G30.3Very low28.5Very low72 Ų72134.3 Ų134.374%0.74279%0.785SS**  83.2140.588.600000113.2
52Q29.2Very low28.6Very low186 Ų186128.4 Ų128.487%0.86977%0.772SS**  cis-161.7174.9-5.5-146.2-174.3-400111.4
53S26.6Very low28.6Very low94 Ų94133.2 Ų133.266%0.65778%0.775SS**  trans-24.3170.7153.8-64.20000119.7
54S25.7Very low28.5Very low78 Ų78130.3 Ų130.355%0.54577%0.766SS.*  cis176.3167.1-20.7-80.50000107.5
55Y26.7Very low28.5Very low239 Ų239129.5 Ų129.594%0.93776%0.755SS**  trans67.2160.4171.7-46.2-78.5000115.1
56G25.7Very low28.4Very low66 Ų66128.1 Ų128.168%0.6875%0.75SS**  cis173.5154.4-11.900000113.6
57S27.4Very low28.5Very low118 Ų118131.7 Ų131.783%0.82575%0.753SS**  trans46109.4153-59.80000123.1
58S27.3Very low28.6Very low104 Ų104128.2 Ų128.273%0.72775%0.745SS**  88.7161.2110.876.30000124.6
59Y25.6Very low28.5Very low233 Ų233129.1 Ų129.191%0.91475%0.746SS**  trans87147.2162.2-86.8-82.4000122.9
60G28.1Very low28.5Very low64 Ų64134.2 Ų134.266%0.6675%0.751SS**  trans92.4123.6-174.800000112.8
61Q28.2Very low28.6Very low183 Ų183128.9 Ų128.986%0.85575%0.746SS**  cis54.4139.933.6-70.4-159.93.700113.5
62T29Very low28.5Very low101 Ų101129.8 Ų129.862%0.6275%0.747SS**  cis-162.8138.939.4-35.10000113.1
63Q31.5Very low29.2Very low175 Ų175126.4 Ų126.482%0.81874%0.741SS**  trans57.4169.1146.7-78.9-173.844.600121.3
64N28.4Very low29.3Very low130 Ų130131 Ų13170%0.69575%0.753SS**  cis-171.3167.8-23.2177.526.7000109.3
65T29Very low29.5Very low109 Ų109131 Ų13167%0.66976%0.764SS**  trans78.8141.1164.9-24.70000116.2Y67T65-Y67 HydrophobicContact CG2-CE2 4.1Å
66G28.4Very low29.7Very low56 Ų56131.1 Ų131.158%0.57777%0.765SS**  cis160.9170.4-9.300000112.8
67Y30Very low29.8Very low228 Ų228131.5 Ų131.589%0.89477%0.768SS**  trans67.1144.5-177-46.6-81.1000114.7T65T65-Y67 HydrophobicContact CG2-CE2 4.1Å
68G31.1Very low29.9Very low64 Ų64130.9 Ų130.966%0.6676%0.764SS**  cis122.6137.26.500000110.6
69T31.8Very low29.9Very low119 Ų119133 Ų13373%0.7377%0.773SS**  cis-168.1148.86.936.60000111
70Q31.9Very low30.1Very low177 Ų177125.9 Ų125.983%0.82777%0.771SS**  trans58.5159139.5-66.9177.8-29.600120.5
71S28.8Very low30Very low110 Ų110126.4 Ų126.477%0.76978%0.776SS**  cis-163.9176.1-16.7-100.90000110.9
72A28.9Very low30Very low92 Ų92128.7 Ų128.776%0.7678%0.778SS**  trans-76.4-171.5175.200000112.6
73P42.4Very low30.3Very low115 Ų115127.3 Ų127.375%0.74778%0.784SS**  cis-149175.428.245.5-24.3000120.4
74Q30.6Very low30.3Very low191 Ų191124.8 Ų124.889%0.89379%0.786SS**  trans18.6136.6140.7-61-78.6-22.400121.5
75G28.4Very low30.5Very low77 Ų77124 Ų12479%0.79479%0.791SS**  trans-174.5134.1160.700000114.4
76Y30.3Very low30.5Very low242 Ų242127 Ų12795%0.94980%0.797SS**  trans-90.4152.6178.2-119.4-104.6000111.9
77G28.4Very low30.7Very low73 Ų73129.1 Ų129.175%0.75380%0.803SS**  trans-169.6137.3171.800000114
78S29.6Very low30.8Very low105 Ų105122.4 Ų122.473%0.73479%0.789SS**  trans-120.8171179-69.10000111.4
79T27.7Very low30.8Very low149 Ų149128 Ų12891%0.91480%0.799SS**  trans88.7144.6168.575.30000118.4
80G29Very low30.7Very low84 Ų84127.9 Ų127.987%0.86680%0.802SS**  trans97.2118.9170.400000116.6
81G26.6Very low30.6Very low75 Ų75123.9 Ų123.977%0.77379%0.794SS**  cis145.745.8-17.400000119.1
82Y29.2Very low30.7Very low230 Ų230129.6 Ų129.690%0.90280%0.8SS**  trans-158.7148.1158.853.4-86.5000108.9
83G33.6Very low30.9Very low72 Ų72128.1 Ų128.174%0.74279%0.794SS**  cis108.9126.820.700000108.4
84S32.4Very low30.5Very low122 Ų122130.8 Ų130.885%0.85380%0.797SS**  cis-147.3173.315.5-151.10000108.2
85S32.1Very low30.4Very low115 Ų115129.2 Ų129.280%0.80479%0.789SS**  cis-149165.825.158.10000114.5
86Q29.4Very low30.5Very low172 Ų172130.8 Ų130.880%0.80479%0.788SS**  trans-158.1132.4-154-172.9-169-31.600113.4
87S32.5Very low30.6Very low99 Ų99124.8 Ų124.869%0.69278%0.782SS**  trans56.6-176.6156.674.10000117.7
88S33.2Very low30.4Very low87 Ų87131.8 Ų131.861%0.60879%0.787SS**  cis-162135.643-63.80000116
89Q30.7Very low31.6Very low183 Ų183132.6 Ų132.686%0.85579%0.79SS**  trans65.1158.6138.4-59.4176.9-18.100118.5
90S28.3Very low31.6Very low116 Ų116129 Ų12981%0.81178%0.782SS**  cis-146.3177.626.7-67.80000115.2
91S30.3Very low31.6Very low92 Ų92136.8 Ų136.864%0.64379%0.787SS**  trans-62.7166.8176.1-148.50000114.1
92Y31.4Very low31.8Very low230 Ų230137 Ų13790%0.90279%0.789SS**  cis-159.3155.334.3-104-76.6000114.1
93G32.8Very low32.1Very low62 Ų62134.7 Ų134.764%0.63979%0.786SS**  trans124.8106.6134.300000122.1
94Q34Very low32.2Very low171 Ų171139.6 Ų139.680%0.79979%0.79SS**  trans60.4150.7150-44.3-59.524.400120.2
95Q28.9Very low32.8Very low158 Ų158139.6 Ų139.674%0.73879%0.787SS**  cis-157.6159.5-9.6-127.8175.2-86.400110.9
96S31.1Very low32.6Very low110 Ų110138.6 Ų138.677%0.76979%0.786SS**  trans18.2152.6154.4-56.10000123.4
97S30.5Very low33.2Very low116 Ų116136.6 Ų136.681%0.81179%0.788SS**  cis-171158.5-13177.70000110.6
98Y25.6Very low33.2Very low220 Ų220137.9 Ų137.986%0.86380%0.797SS**  trans-74.3-179.8170.8-91.5-72.5000113.9
99P53.7Low33Very low122 Ų122139 Ų13979%0.79281%0.805SS**  cis-134.9-172.5-22.735.5-16.2000114.2
100G27.4Very low32.8Very low73 Ų73136.2 Ų136.275%0.75380%0.8SS**  trans-179.4147.6163.400000116.8
101Y29.6Very low32.8Very low248 Ų248136.2 Ų136.297%0.97380%0.8SS**  trans-118.7155.9175.9-73.8-104.7000111.1
102G31.4Very low32.7Very low79 Ų79135.4 Ų135.481%0.81481%0.807SS**  trans163.8145.4163.500000116
103Q35.1Very low32.5Very low181 Ų181130.1 Ų130.185%0.84680%0.803SS**  trans-114.6168.2171.6-95.3-8131.400110.7
104Q36Very low32.3Very low176 Ų176138.3 Ų138.382%0.82282%0.816SS**  trans-59.5161.6-176.3-49.5-178.8-62.100114.1
105P43.8Very low32.1Very low121 Ų121133.9 Ų133.979%0.78682%0.817SS**  -152.4165.992.440.5-23.6000118.3
106A28.4Very low32.1Very low95 Ų95130.1 Ų130.179%0.78582%0.82SS**  trans73.4152.7149.500000121
107P43Very low32Very low130 Ų130130.6 Ų130.684%0.84482%0.824SS**  trans-106.1168.2-172.341.1-35.3000115
108S31.1Very low32.1Very low126 Ų126129.9 Ų129.988%0.88182%0.819SS**  trans-131.5157.6166.557.80000111.6
109S28.9Very low32.4Very low110 Ų110128 Ų12877%0.76982%0.818SS**  trans-112.6162.1-178.155.20000111.6
110T27Very low31.2Very low124 Ų124127.5 Ų127.576%0.76182%0.817SS**  trans172.9132.2137.3-79.60000114.7
111S29.2Very low31.4Very low116 Ų116129.9 Ų129.981%0.81182%0.822SS**  trans65.2142.4153.873.60000123.8
112G28.2Very low31.4Very low76 Ų76123.6 Ų123.678%0.78482%0.815SS**  trans103.1121.8145.400000118.2
113S26.8Very low31.3Very low118 Ų118131.1 Ų131.183%0.82582%0.82SS**  cis158.180.8-331750000110.3
114Y28.3Very low31.1Very low234 Ų234126.4 Ų126.492%0.91882%0.82SS**  trans-170154.6154.367.4-84.1000108.5
115G29.5Very low31Very low78 Ų78126.5 Ų126.580%0.80482%0.821SS**  cis165.4136-12.300000111.4
116G28.7Very low31.4Very low79 Ų79125.1 Ų125.181%0.81481%0.812SS**  trans125.3117.7165.400000118.4
117S29Very low31.6Very low121 Ų121128.8 Ų128.885%0.84681%0.812SS**  trans21.8141147.2-125.30000121.2
118S34.3Very low31.1Very low100 Ų100127.4 Ų127.470%0.69981%0.806SS**  cis-169.6137.140.347.70000116.4
119Q30.6Very low31.1Very low181 Ų181125.7 Ų125.785%0.84681%0.808SS**  trans61.1150.8140.9-64.2-157.3-1300125.6
120S29.3Very low31.1Very low112 Ų112123 Ų12378%0.78380%0.798SS**  trans70143.2170.372.60000118.3
121S31.3Very low31.2Very low122 Ų122128.7 Ų128.785%0.85381%0.807SS**  cis155.4102.2-36.6-87.10000108.6
122S28.6Very low31.3Very low117 Ų117126.1 Ų126.182%0.81880%0.799SS**  trans-167.6135.8149.8-1600000113.8
123Y30Very low31.4Very low236 Ų236130.6 Ų130.693%0.92580%0.8SS**  trans-19.4147.8168.7-68.2-96.2000121.8
124G31.7Very low31.5Very low82 Ų82132.3 Ų132.385%0.84580%0.795SS**  trans15484.5151.300000118.3
125Q32.5Very low31.6Very low179 Ų179126.1 Ų126.184%0.83679%0.786SS**  trans-142.1173.4166.2-122.8-134.5-24.100108.5
126P53Low31.6Very low92 Ų92125.5 Ų125.560%0.59778%0.779SS**  cis-110.3-156.22.742.1-28.1000111.9
127Q32.3Very low31.6Very low171 Ų171133.5 Ų133.580%0.79979%0.786SS**  cis-158.8-163.22.7-138.8160.7-17.900106.8
128S32.8Very low31.6Very low102 Ų102131.2 Ų131.271%0.71378%0.782SS**  cis-161.6117.4-2.444.10000112.1
129G31.3Very low31.4Very low90 Ų90130.1 Ų130.193%0.92879%0.786SS**  trans69.7153.4157.100000119.2
130G28.6Very low31.4Very low54 Ų54130.4 Ų130.456%0.55779%0.788SS**  cis152.4134.9-11.200000114.1
131Y28.7Very low31.3Very low242 Ų242133.1 Ų133.195%0.94979%0.788SS**  trans54.3151.916760.9-99.1000118.9
132G31.4Very low31.3Very low62 Ų62136.8 Ų136.864%0.63979%0.792SS**  cis-157.7157.3-6.400000109.2
133Q30.9Very low31.2Very low171 Ų171136.2 Ų136.280%0.79979%0.788SS**  57.3135.182.2-61.2-7559.900114.7
134Q28Very low31.1Very low153 Ų153136.2 Ų136.272%0.71579%0.788SS**  cis-169.7163.8-16.6-161.9179.7-12.300109.1
135S30.7Very low31Very low105 Ų105135.6 Ų135.673%0.73478%0.782SS**  trans71.2152.1163.1-52.70000118.7
136G29.6Very low30.9Very low64 Ų64135.3 Ų135.366%0.6678%0.78SS**  cis12296.3-15.100000117
137Y28.2Very low29.8Very low247 Ų247139.1 Ų139.197%0.96979%0.79SS**  trans-166.1155.3162.9-87.6-75.9000108.1
138G30.4Very low29.5Very low73 Ų73139.6 Ų139.675%0.75379%0.792SS**  cis159.6127.6-10.600000113.3
139G29.7Very low29.3Very low77 Ų77140.2 Ų140.279%0.79480%0.797SS**  trans85.1162.8173.100000116.5
140Q30.2Very low29.1Very low187 Ų187141.2 Ų141.287%0.87479%0.789SS**  cis-155.1163.6-5.9-129.5174.4-1.500113.2
141Q28.1Very low29.1Very low169 Ų169149.9 Ų149.979%0.7981%0.807SS**  trans-68.5163.7-171.6-55144-32.200116
142Q30.3Very low29.4Very low199 Ų199145.4 Ų145.493%0.9380%0.799SS**  -167.3-178.1119.5-104.9171.98.600113.5
143S27Very low30.1Very low105 Ų105147 Ų14773%0.73480%0.799SS**  trans-146.3-176.5-157.9-169.50000113.7
144Y27.7Very low30.7Very low236 Ų236144.8 Ų144.893%0.92580%0.799SS**  trans75.3141.5-175.6-58.6-93.1000116.1
145G30.4Very low30.8Very low70 Ų70147 Ų14772%0.72281%0.809SS**  cis166.4152-14.800000116.3
146Q29.7Very low30.8Very low173 Ų173144.7 Ų144.781%0.80880%0.802SS**  trans81.8146151.7-77.4-71.117.500125.2
147Q29.9Very low30.7Very low171 Ų171153.3 Ų153.380%0.79982%0.816SS**  trans87.7161.6151.4-77.9170.811.700123.7
148Q26.3Very low30.7Very low181 Ų181144.8 Ų144.885%0.84680%0.804SS**  trans-137.4154.2-146-53163.5-88.300114.4
149S27.2Very low30.6Very low116 Ų116149.7 Ų149.781%0.81181%0.807SS**  trans175.3132.9135.2-770000108.4
150S27.5Very low30.6Very low110 Ų110153.6 Ų153.677%0.76981%0.805SS**  cis77.1105.835.8-164.50000114.6
151Y30Very low30.5Very low237 Ų237150.8 Ų150.893%0.92980%0.796SS**  trans-165.6132.6157.5-116.4-70.7000114.3
152N33.3Very low30.4Very low147 Ų147149.4 Ų149.479%0.78679%0.789SS**  trans-178.8158.8167.6-164.633.4000106.7
153P48Very low30.3Very low97 Ų97149.9 Ų149.963%0.6378%0.784SS**  cis-114.3-149.5-14.138.2-19.5000111.3
154P41.8Very low30.3Very low123 Ų123151.5 Ų151.580%0.79979%0.785SS**  -143.1176.5108.239.5-26.6000115.8
155Q31.9Very low30.3Very low199 Ų199145.5 Ų145.593%0.9378%0.777SS**  trans-137.7157.6168.7-77.8-169-17.500110.9
156G28.9Very low30.2Very low57 Ų57147.2 Ų147.259%0.58878%0.778SS**  trans133.6128.7143.300000118.8
157Y28.3Very low30.3Very low245 Ų245144.6 Ų144.696%0.96178%0.779SS**  trans64.7151.4156.7-44.6-81.9000118.2
158G28.9Very low30.4Very low69 Ų69140.4 Ų140.471%0.71178%0.782SS**  cis167.1162.4-12.200000113.9
159Q28.1Very low30.8Very low175 Ų175135.9 Ų135.982%0.81878%0.783SS**  trans74.2144.2160.5-68.7-76.11900123.3
160Q28.3Very low31.1Very low160 Ų160134.2 Ų134.275%0.74879%0.785SS**  trans72.1106144-79.5177-20.100125.7
161N27.8Very low31.5Very low128 Ų128133.1 Ų133.168%0.68479%0.791SS**  68.5131.4114.4-962000125.2
162Q27Very low31.7Very low139 Ų139125.9 Ų125.965%0.6579%0.789SS**  trans66.5143.8150.4-57.6170.7-31.500116.6
163Y28.3Very low31.5Very low210 Ų210122.8 Ų122.882%0.82479%0.791SS**  cis-139.4-177.723.9-96.3-77.8000114.3
164N26.9Very low30.7Very low138 Ų138122.3 Ų122.374%0.73880%0.804SS**  trans-96.8144.9-174.5165.238.9000113.4
165S27.8Very low30.2Very low111 Ų111120.6 Ų120.678%0.77681%0.808SS**  trans-176.2117.1134.3-84.40000117.2
166S28.2Very low30.1Very low106 Ų106115.1 Ų115.174%0.74181%0.806SS**  trans74.6150.9135.1-147.50000123.4
167S32.3Very low30.3Very low117 Ų117120 Ų12082%0.81882%0.818SS**  trans5512218051.70000116.3
168G31.7Very low30.3Very low84 Ų84118.7 Ų118.787%0.86681%0.813SS**  cis95126.717.500000110.3
169G34.7Very low30.3Very low85 Ų85118.5 Ų118.588%0.87681%0.811SS**  cis141.9155.613.300000107.4
170G34.6Very low30.4Very low81 Ų81119.4 Ų119.484%0.83582%0.815SS**  cis168.4-179-1.700000110.6
171G35.3Very low30.5Very low88 Ų88117.8 Ų117.891%0.90781%0.812SS**  trans88.1158.1171.600000116.2
172G33.5Very low30.4Very low85 Ų85118.6 Ų118.688%0.87681%0.812SS**  cis179.1177-3.100000109.1
173G29.8Very low30.4Very low82 Ų82116.5 Ų116.585%0.84581%0.812SS**  cis-133-158-8.500000109.8
174G30.4Very low30.5Very low86 Ų86111 Ų11189%0.88780%0.804SS**  cis96.4123.82300000111
175G30.8Very low30.6Very low87 Ų87113 Ų11390%0.89781%0.812SS**  cis132.1135.4-4.200000112.9
176G30.1Very low30.7Very low85 Ų85113.2 Ų113.288%0.87681%0.813SS**  trans133.1153.8167.400000117.2
177N34.3Very low30.7Very low158 Ų158112.2 Ų112.285%0.84582%0.819SS**  trans-152.9145-179.6177.220.7000110.3
178Y28Very low30.8Very low219 Ų219110.5 Ų110.586%0.85982%0.821SS**  trans-159.4154.5172.462.7-90.2000110
179G29.3Very low30.7Very low65 Ų65110.7 Ų110.767%0.6782%0.822SS**  cis154.591.6-11.300000114.9
180Q30.1Very low30.5Very low193 Ų193110.4 Ų110.490%0.90282%0.82SS**  trans61.1160.4167.9-60.2177.9-1000115.8
181D29Very low30.4Very low127 Ų127110.8 Ų110.868%0.67982%0.823SS**  cis-150.9-172.67.6-150.79.1000107.9
182Q26.8Very low30.1Very low145 Ų145109.2 Ų109.268%0.67881%0.807SS**  cis-164.1179.30.1-156.1-17792.400109.7
183S26.9Very low29.9Very low95 Ų95116.3 Ų116.366%0.66481%0.809SS**  trans46.4138.6144.3-75.10000122.2
184S29.6Very low29.8Very low94 Ų94115.7 Ų115.766%0.65780%0.803SS**  cis-170.6167.6-4.360.60000111.3
185M29.6Very low29.8Very low181 Ų181118.3 Ų118.389%0.89280%0.796SS**  trans68.6145.2169-59.5-170.8-174.100117.9
186S30.6Very low29.7Very low114 Ų114121.8 Ų121.880%0.79779%0.789SS**  cis-159.5149.2-9.547.60000112.9
187G28.2Very low29.7Very low85 Ų85123.5 Ų123.588%0.87678%0.778SS**  trans73.7134.7157.200000119.5
188G33.7Very low29.6Very low82 Ų82123.8 Ų123.885%0.84577%0.774SS**  cis160.9112.5-11.800000115.3
189G30.2Very low29.6Very low88 Ų88119.3 Ų119.391%0.90778%0.775SS**  trans78150.2169.300000116
190G30.8Very low29.6Very low79 Ų79120 Ų12081%0.81478%0.782SS**  cis168.3131.4-4.600000107.1
191G31.3Very low29.5Very low88 Ų88115 Ų11591%0.90778%0.782SS**  86.8125.566.300000110.7
192G29.7Very low29.5Very low55 Ų55113 Ų11357%0.56779%0.792SS**  cis171-175.9-4.700000112.3
193Y27.8Very low29.6Very low235 Ų235110.1 Ų110.192%0.92280%0.801SS**  trans59.4159.1159.270.1-101.1000122.7
194G29.5Very low29.7Very low69 Ų69109.8 Ų109.871%0.71181%0.812SS**  trans81.2113.6170.100000115.8
195N29.2Very low29.7Very low141 Ų141108.8 Ų108.875%0.75482%0.817SS**  cis92.1127.313.8-150.6-74.3000117
196Q30.1Very low29.8Very low160 Ų160111.4 Ų111.475%0.74882%0.819SS**  trans71.1115.8163.5-92.5168.5-5.700122.6
197D30Very low29.7Very low121 Ų121109.8 Ų109.865%0.64782%0.82SS**  74.2126.4119.7-76.925.6000125.8
198Q31.6Very low29.7Very low164 Ų164109.8 Ų109.877%0.76682%0.82SS**  trans84.5131.6132-69.417349.200123.3
199S28.5Very low29.6Very low124 Ų124109.8 Ų109.887%0.86782%0.82SS**  trans84.6151.5146.181.20000120.8
200G28.4Very low29.8Very low80 Ų80114.1 Ų114.183%0.82582%0.816SS**  trans82126.3174.900000115.3
201G28.2Very low30.1Very low88 Ų88118.9 Ų118.991%0.90782%0.818SS**  cis105.799.3-5.600000114
202G29.1Very low30.3Very low85 Ų85120.1 Ų120.188%0.87680%0.804SS**  trans152.4158.5177.700000112.2
203G28.8Very low30.4Very low85 Ų85128.1 Ų128.188%0.87682%0.817SS**  trans-167179.4-179.100000114.6
204G29.8Very low30.6Very low87 Ų87121 Ų12190%0.89781%0.814SS**  trans102.5146.7-176.400000113.1
205G29.4Very low30.8Very low73 Ų73121 Ų12175%0.75381%0.814SS**  cis141.960.5-12.700000116.8
206Y30.3Very low30.9Very low237 Ų237126.7 Ų126.793%0.92983%0.825SS**  trans-164.8169.1161.353.9-98.5000111.4
207G29.3Very low31Very low79 Ų79122.8 Ų122.881%0.81483%0.828SS**  trans120.489.6169.500000114.2
208G29.2Very low31.2Very low86 Ų86129.4 Ų129.489%0.88784%0.844SS**  trans-111.5154.817200000112.1
209G31.1Very low31.1Very low82 Ų82125.4 Ų125.485%0.84585%0.847SS**  trans-141.1124.9172.800000110.7
210Q33.7Very low31.1Very low178 Ų178123.6 Ų123.683%0.83285%0.848SS**  trans-102.9151.3177.7-61.9176.5-0.200110.5
211Q36.5Very low31.2Very low180 Ų180123.9 Ų123.984%0.84185%0.85SS**  trans-164.9120.1143.7-103.9140.698.700110.8
212D35.6Very low31.3Very low114 Ų114123.8 Ų123.861%0.6185%0.849SS**  trans33.7146.8136.1-59.1-100.3000121.5
213R33Very low31.4Very low223 Ų223123.3 Ų123.384%0.84284%0.844SS**  cis-166.3134.91.2-124.6173.4-143-176.59.4112.5
214G31.3Very low31.8Very low85 Ų85130.1 Ų130.188%0.87685%0.845SS**  trans61.3162151.300000120.2
215G33.9Very low32Very low68 Ų68133.4 Ų133.470%0.70184%0.842SS**  cis140.1115.4-17.700000115.6
216R31.5Very low32.2Very low262 Ų262142.4 Ų142.499%0.98985%0.854SS**  trans75153.7174.1-44.3170.2-167.3-171.93.5113.7
217G32.3Very low32.6Very low78 Ų78136.7 Ų136.780%0.80485%0.848SS**  cis-167.8-166.72.800000114.1
218R33.2Very low33Very low259 Ų259138.6 Ų138.698%0.97785%0.849SS**  trans-68156.5-177.5-59.5171.5170.1-168.4-3.1113.6
219G29Very low33.3Very low81 Ų81138.4 Ų138.484%0.83585%0.847SS**  trans168.8120.1153.500000114.6
220G30.1Very low33.5Very low86 Ų86138.1 Ų138.189%0.88784%0.844SS**  trans-93.3-179.8179.900000115.4
221G29.1Very low33.7Very low85 Ų85140.9 Ų140.988%0.87685%0.849SS**  trans109.6139.3154.800000116.8
222G31.7Very low33.8Very low86 Ų86141 Ų14189%0.88785%0.85SS**  trans85.5133.7173.300000114.4
223G31.3Very low34.7Very low75 Ų75141.5 Ų141.577%0.77386%0.859SS**  cis121.794.2-8.800000113.6
224Y36Very low34.9Very low228 Ų228142.9 Ų142.989%0.89486%0.864SS**  trans-141.1130.6160.947.4-96.9000110.7
225N35.4Very low35Very low157 Ų157142.2 Ų142.284%0.8486%0.857SS**  trans-80.6147.4176.2-70.3-62.5000110.7
226R33.3Very low35.1Very low262 Ų262151.2 Ų151.299%0.98987%0.87SS**  trans-146.8122.2136.2-109.3170.5-169.7179.93109
227S37.7Very low35.2Very low117 Ų117142.5 Ų142.582%0.81886%0.862SS**  trans-129.3136.2-176.21780000109
228S39Very low35.4Very low118 Ų118142.9 Ų142.983%0.82587%0.865SS**  trans-166.2109.2168.656.40000111.4
229G35.3Very low35.8Very low82 Ų82134.2 Ų134.285%0.84586%0.857SS**  trans73.5118.2165.200000116.8
230G34.8Very low36.1Very low77 Ų77142.9 Ų142.979%0.79486%0.864SS**  cis110.780.5-9.800000115.5
231Y37.4Very low36.5Very low235 Ų235142.5 Ų142.592%0.92286%0.861SS**  trans-157.9171.9140.757.7-97000110.7
232E39.4Very low37.3Very low184 Ų184142.3 Ų142.386%0.8686%0.859SS**  trans-102.8163-147.9-72.8-177.399.600117.5
233P54.3Low37.7Very low123 Ų123150.3 Ų150.380%0.79986%0.862SS**  trans-93.7129.6-176.635.3-34.1000115.4
234R36.9Very low38Very low253 Ų253150 Ų15096%0.95586%0.859SS**  trans-146.8149.1154.9-67.3-178.5179.2176.2-0.1107.4
235G33.8Very low38.5Very low71 Ų71143.1 Ų143.173%0.73286%0.858SS**  cis144.2137.8-2.700000111.5
236R35Very low38.9Very low256 Ų256145 Ų14597%0.96686%0.864SS**  trans66.390.8156.7-162-169.7-160-148.47.3119.9
237G33.6Very low39.1Very low80 Ų80136.1 Ų136.183%0.82585%0.854SS**  trans88.8163.8131.900000119.6
238G36.3Very low39.3Very low85 Ų85134.1 Ų134.188%0.87685%0.852SS**  trans84.7130.9-179.100000113.7
239G42Very low39.4Very low78 Ų78133.4 Ų133.480%0.80485%0.847SS**  cis107.147.3-12.100000116.8
240R36.6Very low40.2Very low262 Ų262136.3 Ų136.399%0.98984%0.843SS**  trans-174.6163.9157.9-108.5168.5-172.6-158.81.6110.9
241G38.3Very low40.8Very low78 Ų78144.5 Ų144.580%0.80485%0.85SS**  trans116.170.4157.400000117
242G45.1Very low40.9Very low82 Ų82137.4 Ų137.485%0.84585%0.848SS**  trans-87.2114.8161.200000111.5
243R40.1Very low40.9Very low253 Ų253131.8 Ų131.896%0.95584%0.84SS**  trans-157.4147160.3-93.4-174.9174.9-173.4-2.5105.8
244G37.9Very low40.2Very low69 Ų69135.6 Ų135.671%0.71184%0.844SS**  cis161.91311.900000106.5
245G47.3Very low40.7Very low84 Ų84130.7 Ų130.787%0.86684%0.837SS**  trans-71.3131.5-164.600000115
246M41.9Very low41.3Very low196 Ų196136.7 Ų136.797%0.96684%0.843SS**  trans-149.7142162.4-61.2-179.2178.700107
247G39.3Very low41.7Very low76 Ų76134.3 Ų134.378%0.78484%0.84SS**  cis159.1112.9-6.700000110.5
248G42Very low42.1Very low74 Ų74134 Ų13476%0.76384%0.836SS**  trans67.7174.3-177.300000114.9
249S41.2Very low42.1Very low103 Ų103133 Ų13372%0.7283%0.826SS**  cis-160.6142-18.8-114.80000111.4
250D50.2Low42.7Very low143 Ų143135 Ų13577%0.76583%0.825SS**  trans42.587.5141.5-51.8-67.8000119.3
251R48.3Very low43.2Very low250 Ų250134.2 Ų134.294%0.94382%0.822SS**  trans-129.6100.4143.8-72.2-170.5179.2174.60.8109.3
252G40.3Very low43.5Very low85 Ų85136.8 Ų136.888%0.87682%0.817SS**  trans-67.7152.4178.600000112.8
253G37.8Very low43.5Very low67 Ų67141.4 Ų141.469%0.69182%0.817SS**  trans-173.786.5-177.200000114.7
254F39.8Very low43.3Very low203 Ų203133.3 Ų133.389%0.8981%0.812SS**  trans65.8119.6161.1-62.6-85.4000119.2K256F254-K256 PolarHBondContact O-N 3.49Å
255N48.9Very low43.5Very low149 Ų149134.2 Ų134.280%0.79781%0.808SS**  trans-62.2122.7177.2-58.7-21.4000112
256K45.5Very low43.4Very low198 Ų198142.3 Ų142.386%0.86181%0.812SS**  trans-130.5111.4156.4-71.2-171.3177.2-178.80109F254 G258F254-K256 PolarHBondContact O-N 3.49Å; K256-G258 PolarHBondContact O-N 2.78Å
257F44.1Very low43.3Very low206 Ų206140.1 Ų140.190%0.90480%0.799SS**  trans-63.9122.2177.8-60.4-91.4000109.5
258G40.7Very low43.6Very low73 Ų73143.2 Ų143.275%0.75380%0.798SS**  trans163.652.3-172.200000113K256K256-G258 PolarHBondContact O-N 2.78Å
259G36.6Very low44.1Very low64 Ų64143.6 Ų143.666%0.6679%0.789SS**  trans-63.9148.2174.700000111.6R261G259-R261 PolarHBondContact O-N 2.77Å
260P55.9Low44.6Very low121 Ų121147 Ų14779%0.78679%0.794SS**  trans-65.2120.6177.127.9-33.4000109.7
261R45.9Very low44.9Very low245 Ų245146.8 Ų146.893%0.92579%0.788SS**  trans-110.396.4160.4-81.3-170.4171.3178.5-2109G259G259-R261 PolarHBondContact O-N 2.77Å
262D44.5Very low45.2Very low132 Ų132141 Ų14171%0.70678%0.775SS**  trans-45.2161.8153.4-65.2-99.2000111.7
263Q45.2Very low46.3Very low178 Ų178138.3 Ų138.383%0.83274%0.741SS**  trans61.972.5172.7-53.7176.231.300113.3S265Q263-S265 VanDerWaalsContact C-N 3.28Å; Q263-S265 PolarHBondContact O-N 2.76Å
264G35.5Very low47.4Very low84 Ų84138.2 Ų138.287%0.86673%0.73SS**  trans-58.799.3147.600000108.1R266G264-R266 PolarHBondContact O-N 3.49Å
265S41.6Very low48.8Very low88 Ų88134.1 Ų134.162%0.61572%0.717SS**  trans-53.6137.8-170.8-60.60000111.8Q263 H267Q263-S265 VanDerWaalsContact C-N 3.28Å; Q263-S265 PolarHBondContact O-N 2.76Å; S265-H267 PolarHBondContact O-N 3.44Å
266R47.2Very low50.4Low253 Ų253127.3 Ų127.396%0.95568%0.681SS**  trans-69.183.1148.3-69.9-178.6-178.2173.60.7106.3G264 D268G264-R266 PolarHBondContact O-N 3.49Å; R266-D268 PolarHBondContact O-N 2.79Å; R266-D268 VanDerWaalsContact O-N 3.13Å
267H38.1Very low52.4Low150 Ų150119.6 Ų119.669%0.69465%0.649SS**  trans-68.1110.7172.5-146.6-88.3000106.8S265S265-H267 PolarHBondContact O-N 3.44Å
268D47.3Very low54.6Low142 Ų142111.4 Ų111.476%0.75962%0.616SS**  trans-73.8165.2164.7-157.6-84.4000108.9R266R266-D268 PolarHBondContact O-N 2.79Å; R266-D268 VanDerWaalsContact O-N 3.13Å
269S51.3Low57.1Low82 Ų82107.9 Ų107.957%0.57358%0.58SS**SBendtrans56.6164.6-173.568.90000117.2
270E51.6Low59.8Low175 Ų175106.9 Ų106.982%0.81856%0.558SS**  trans58.966.9167.7-53.2-162.812300116D272E270-D272 PolarHBondContact O-N 2.98Å
271Q56.6Low61.5Low138 Ų138101.1 Ų101.165%0.64552%0.52SS*.  trans-55.1124.5156.6-176.6160.5107.100109.4N273Q271-N273 PolarHBondContact O-N 2.79Å; Q271-N273 PolarHBondContact O-ND2 2.83Å
272D55.2Low63.7Low127 Ų12792.9 Ų92.968%0.67949%0.492SS*.  trans-6497.5-172.9-164.9-15.4000111.2E270 S274E270-D272 PolarHBondContact O-N 2.98Å; D272-S274 WeakPolarHBondContact OD1-CB 3.5Å; D272-S274 PolarHBondContact OD1-N 2.84Å; D272-S274 PolarHBondContact OD1-OG 3.2Å
273N62.4Low65.8Low30 Ų3088.1 Ų88.116%0.1647%0.474CS..  trans-101.810.5-174-76.5-43.3000111.7Q271 D275 N276 F360Q271-N273 PolarHBondContact O-N 2.79Å; Q271-N273 PolarHBondContact O-ND2 2.83Å; N273-D275 PolarHBondContact O-N 3.38Å; N273-N276 VanDerWaalsContact CB-ND2 3.34Å; N273-N276 WeakPolarHBondContact CB-ND2 3.39Å; N273-N276 VanDerWaalsContact CG-ND2 3.28Å; N273-N276 VanDerWaalsContact O-CB 3.27Å; N273-N276 WeakPolarHBondContact O-CB 3.39Å; N273-N276 PolarHBondContact O-N 2.95Å; N273-N276 PolarHBondContact OD1-ND2 3Å; N273-F360 HydrophobicContact CB-CB 4.03Å; N273-F360 HydrophobicContact CB-CD2 4.4Å; N273-F360 HydrophobicContact CB-CG 4.1Å; N273-F360 WeakPolarHBondContact O-CD1 3.31Å
274S61Low67.7Low65 Ų6579.7 Ų79.746%0.45544%0.435SS..THydrogen-bonded Turntrans-57.2-33.6-179.955.40000113.4D272 N276D272-S274 WeakPolarHBondContact OD1-CB 3.5Å; D272-S274 PolarHBondContact OD1-N 2.84Å; D272-S274 PolarHBondContact OD1-OG 3.2Å; S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.24Å
275D69.5Low69.9Low116 Ų11676.5 Ų76.562%0.6240%0.401SS*.THydrogen-bonded Turntrans-72.7-6.8174.2-75-24.4000114.7N273 N277N273-D275 PolarHBondContact O-N 3.38Å; D275-N277 PolarHBondContact O-N 2.69Å
276N82.4Confident71.7Confident6 Ų677 Ų773%0.03239%0.394CS..  trans-83.1100.3-174.9-68.7-24.7000112N273 S274 T278 A339 F360 A361 R363N273-N276 VanDerWaalsContact CB-ND2 3.34Å; N273-N276 WeakPolarHBondContact CB-ND2 3.39Å; N273-N276 VanDerWaalsContact CG-ND2 3.28Å; N273-N276 VanDerWaalsContact O-CB 3.27Å; N273-N276 WeakPolarHBondContact O-CB 3.39Å; N273-N276 PolarHBondContact O-N 2.95Å; N273-N276 PolarHBondContact OD1-ND2 3Å; S274-N276 VanDerWaalsContact C-N 3.26Å; S274-N276 PolarHBondContact O-N 3.24Å; N276-T278 PolarHBondContact O-N 3.37Å; N276-A339 WeakPolarHBondContact O-CB 3.48Å; N276-F360 HydrophobicContact CB-CD1 4.06Å; N276-A361 PolarHBondContact ND2-O 3.05Å; N276-R363 VanDerWaalsContact OD1-CD 3.24Å; N276-R363 WeakPolarHBondContact OD1-CD 3.36Å; N276-R363 PolarHBondContact OD1-NE 3.46Å; N276-R363 PolarHBondContact OD1-NH1 3.05Å
277N88.7Confident73.2Confident36 Ų3672.6 Ų72.619%0.19339%0.389CS..  trans-69.218.3166.265.1-2.7000114.6D275 S332 F333 D334 P336D275-N277 PolarHBondContact O-N 2.69Å; N277-S332 CarbonylContact O-C 3.59Å; N277-F333 PolarHBondContact ND2-O 3.06Å; N277-F333 PolarHBondContact O-N 2.9Å; N277-D334 PolarHBondContact ND2-O 2.63Å; N277-P336 HydrophobicContact CB-CB 4.37Å; N277-P336 HydrophobicContact CB-CG 4.15Å
278T90.3Very high75.4Confident34 Ų3465.7 Ų65.721%0.20936%0.358CS..EExtended strand (participates in β ladder)trans-124.2125178.1-51.10000109.8N276 V331 A361N276-T278 PolarHBondContact O-N 3.37Å; T278-V331 WeakPolarHBondContact CA-O 3.22Å; T278-A361 HydrophobicContact CG2-CB 3.72Å; T278-A361 VanDerWaalsContact O-CB 3.28Å; T278-A361 WeakPolarHBondContact O-CB 3.16Å; T278-A361 PolarHBondContact O-N 2.97Å
279I92.6Very high77.4Confident0 Ų062.3 Ų62.30%034%0.343CS..EExtended strand (participates in β ladder)trans-100.6154.6173.464168.2000110.7V281 F297 T330 V331 F333 A339 A342 I343 V358 S359I279-V281 HydrophobicContact CD1-CG2 3.8Å; I279-V281 HydrophobicContact CG1-CG2 4.22Å; I279-F297 HydrophobicContact CD1-CD1 3.61Å; I279-F297 HydrophobicContact CD1-CE1 3.47Å; I279-F297 VanDerWaalsContact CD1-CE1 3.47Å; I279-F297 HydrophobicContact CD1-CG 4.35Å; I279-F297 HydrophobicContact CD1-CZ 4.12Å; I279-T330 WeakPolarHBondContact O-CA 3.18Å; I279-V331 HydrophobicContact CD1-CB 4.17Å; I279-V331 HydrophobicContact CG1-CB 3.75Å; I279-V331 HydrophobicContact CG1-CG2 4.44Å; I279-V331 PolarHBondContact N-O 3.49Å; I279-V331 PolarHBondContact O-N 2.81Å; I279-F333 HydrophobicContact CD1-CE2 3.72Å; I279-F333 HydrophobicContact CD1-CZ 4.24Å; I279-F333 HydrophobicContact CG1-CE2 3.85Å; I279-F333 HydrophobicContact CG2-CD2 4.45Å; I279-F333 HydrophobicContact CG2-CE2 4.06Å; I279-A339 HydrophobicContact CG2-CB 3.96Å; I279-A339 VanDerWaalsContact CG2-O 3.32Å; I279-A339 WeakPolarHBondContact CG2-O 3.44Å; I279-A342 HydrophobicContact CD1-CB 4.32Å; I279-I343 HydrophobicContact CG2-CD1 4.07Å; I279-I343 HydrophobicContact CG2-CG1 3.85Å; I279-V358 HydrophobicContact CB-CG1 4.23Å; I279-V358 HydrophobicContact CD1-CG1 3.77Å; I279-S359 CarbonylContact C-O 3.55Å; I279-S359 VanDerWaalsContact CA-O 3.29Å; I279-S359 WeakPolarHBondContact CA-O 3.31Å; I279-S359 WeakPolarHBondContact CB-O 3.17Å
280F92.8Very high79.1Confident43 Ų4361.4 Ų61.419%0.18933%0.33CS..EExtended strand (participates in β ladder)trans-115.2125.5168.5-176.8-126.6000109Q282 Y317 E328 A329 T330 S359 A361F280-Q282 HydrophobicContact CD1-CG 4.06Å; F280-Q282 HydrophobicContact CE1-CG 3.64Å; F280-Q282 VanDerWaalsContact CE1-NE2 3.33Å; F280-Q282 HydrophobicContact CZ-CG 4.15Å; F280-Y317 HydrophobicContact CE2-CD2 4.14Å; F280-Y317 AromaticContact CE2-CE2 3.95Å; F280-Y317 HydrophobicContact CE2-CE2 3.95Å; F280-E328 HydrophobicContact CE2-CB 4.04Å; F280-E328 HydrophobicContact CE2-CG 4.43Å; F280-E328 HydrophobicContact CZ-CB 4.07Å; F280-E328 HydrophobicContact CZ-CG 3.96Å; F280-A329 WeakPolarHBondContact CD2-O 2.96Å; F280-T330 HydrophobicContact CB-CG2 4.33Å; F280-T330 HydrophobicContact CD2-CG2 3.73Å; F280-T330 HydrophobicContact CG-CG2 4.47Å; F280-S359 PolarHBondContact N-O 2.88Å; F280-S359 PolarHBondContact O-N 3.24Å; F280-S359 PolarHBondContact O-OG 2.88Å; F280-S359 VanDerWaalsContact O-OG 3.11Å; F280-A361 HydrophobicContact CB-CB 4.05Å
281V92.1Very high80.8Confident0 Ų060 Ų600%032%0.324CS..EExtended strand (participates in β ladder)trans-113.5131.5-177.3-1710000108.2I279 L284 F297 E328 A329 V331 I356 K357 V358I279-V281 HydrophobicContact CD1-CG2 3.8Å; I279-V281 HydrophobicContact CG1-CG2 4.22Å; V281-L284 HydrophobicContact CB-CD1 4.14Å; V281-L284 HydrophobicContact CG1-CD1 3.92Å; V281-L284 HydrophobicContact CG1-CD2 3.89Å; V281-L284 HydrophobicContact CG1-CG 3.77Å; V281-F297 HydrophobicContact CB-CZ 4.49Å; V281-F297 HydrophobicContact CG1-CE2 4.37Å; V281-F297 HydrophobicContact CG1-CZ 4.09Å; V281-F297 HydrophobicContact CG2-CE1 4.25Å; V281-F297 HydrophobicContact CG2-CE2 3.89Å; V281-F297 HydrophobicContact CG2-CZ 3.54Å; V281-E328 CarbonylContact O-C 3.55Å; V281-E328 VanDerWaalsContact O-CA 3.29Å; V281-E328 WeakPolarHBondContact O-CA 3.14Å; V281-A329 PolarHBondContact N-O 2.61Å; V281-A329 PolarHBondContact O-N 2.89Å; V281-V331 HydrophobicContact CG2-CG2 4.4Å; V281-I356 HydrophobicContact CG1-CB 4.23Å; V281-I356 HydrophobicContact CG1-CD1 4.46Å; V281-I356 HydrophobicContact CG1-CG2 4.24Å; V281-K357 CarbonylContact C-O 3.55Å; V281-K357 WeakPolarHBondContact CA-O 3.37Å; V281-V358 HydrophobicContact CG1-CG2 4.26Å; V281-V358 HydrophobicContact CG2-CG1 4.36Å; V281-V358 HydrophobicContact CG2-CG2 4.44Å
282Q91.3Very high82.4Confident72 Ų7255.2 Ų55.234%0.33631%0.306SS..EExtended strand (participates in β ladder)trans-119.7155.6175-53170.213.900108.5F280 G327 E328 I356 K357F280-Q282 HydrophobicContact CD1-CG 4.06Å; F280-Q282 HydrophobicContact CE1-CG 3.64Å; F280-Q282 VanDerWaalsContact CE1-NE2 3.33Å; F280-Q282 HydrophobicContact CZ-CG 4.15Å; Q282-G327 CarbonylContact C-O 3.57Å; Q282-E328 HydrophobicContact CB-CG 4.42Å; Q282-E328 HydrophobicContact CG-CG 4.28Å; Q282-I356 CarbonylContact O-C 3.54Å; Q282-I356 WeakPolarHBondContact O-CA 3.27Å; Q282-I356 WeakPolarHBondContact O-CB 3.28Å; Q282-I356 WeakPolarHBondContact O-CG2 3.34Å; Q282-K357 HydrophobicContact CB-CB 4.31Å; Q282-K357 PolarHBondContact N-O 2.71Å; Q282-K357 PolarHBondContact O-N 3.24Å
283G88.7Confident84Confident31 Ų3149.2 Ų49.232%0.3227%0.274SS..  trans86.811.7174.500000116.2G285 G327 N354G283-G285 PolarHBondContact O-N 3.15Å; G283-G285 VanDerWaalsContact O-N 3.08Å; G283-G327 PolarHBondContact N-O 3.46Å; G283-N354 WeakPolarHBondContact O-CB 3.4Å
284L85Confident85.4Confident2 Ų248.3 Ų48.31%0.0127%0.27CS..  trans-66.9-6.5-178.6-69.2163.2000115.1V281 V288 V293 L316 G327 A329 F351 I356V281-L284 HydrophobicContact CB-CD1 4.14Å; V281-L284 HydrophobicContact CG1-CD1 3.92Å; V281-L284 HydrophobicContact CG1-CD2 3.89Å; V281-L284 HydrophobicContact CG1-CG 3.77Å; L284-V288 HydrophobicContact CB-CB 4.07Å; L284-V288 HydrophobicContact CB-CG1 3.87Å; L284-V288 HydrophobicContact CB-CG2 4.08Å; L284-V288 HydrophobicContact CD1-CG2 4.36Å; L284-V288 HydrophobicContact CD2-CG2 4.38Å; L284-V293 HydrophobicContact CD1-CG2 4.15Å; L284-V293 HydrophobicContact CD2-CG2 4.38Å; L284-L316 HydrophobicContact CD1-CD2 4.46Å; L284-G327 WeakPolarHBondContact CB-O 3.42Å; L284-G327 PolarHBondContact N-O 3.18Å; L284-A329 HydrophobicContact CD1-CB 3.5Å; L284-F351 HydrophobicContact CB-CD1 4.34Å; L284-F351 HydrophobicContact CD2-CB 4.26Å; L284-F351 HydrophobicContact CD2-CD1 3.57Å; L284-F351 HydrophobicContact CD2-CD2 4.07Å; L284-F351 HydrophobicContact CD2-CE1 3.84Å; L284-F351 HydrophobicContact CD2-CE2 4.31Å; L284-F351 HydrophobicContact CD2-CG 3.7Å; L284-F351 HydrophobicContact CD2-CZ 4.2Å; L284-I356 HydrophobicContact CD2-CG2 3.92Å; L284-I356 HydrophobicContact CG-CG2 4.2Å
285G81.6Confident86.7Confident16 Ų1649.3 Ų49.317%0.16527%0.271CS..  trans75.7179.6-176.700000114.6G283 G327G283-G285 PolarHBondContact O-N 3.15Å; G283-G285 VanDerWaalsContact O-N 3.08Å; G285-G327 WeakPolarHBondContact O-CA 3.38Å
286E80.4Confident87.7Confident100 Ų10046.1 Ų46.147%0.46725%0.25SS..THydrogen-bonded Turntrans-80.8-14.9-176.1-62.5-168.5-17300114.3K324 L325E286-K324 IonicContact OE1-NZ 2.69Å; E286-K324 PolarHBondContact OE1-NZ 3.15Å; E286-K324 IonicContact OE2-NZ 3.49Å; E286-K324 PolarHBondContact OE2-NZ 2.78Å; E286-L325 WeakPolarHBondContact O-CD1 3.49Å
287N78.3Confident88Confident159 Ų15945.8 Ų45.885%0.8525%0.249SC*.THydrogen-bonded Turntrans-109.226.3-169.4-65.6-39.3000113.6
288V84.9Confident88.1Confident5 Ų549.4 Ų49.43%0.0326%0.263CS..  trans-89.8133-174.2590000112.8L284 V293 L316 L325 F351L284-V288 HydrophobicContact CB-CB 4.07Å; L284-V288 HydrophobicContact CB-CG1 3.87Å; L284-V288 HydrophobicContact CB-CG2 4.08Å; L284-V288 HydrophobicContact CD1-CG2 4.36Å; L284-V288 HydrophobicContact CD2-CG2 4.38Å; V288-V293 HydrophobicContact CG2-CG2 3.27Å; V288-L316 HydrophobicContact CG1-CD2 3.73Å; V288-L316 HydrophobicContact CG2-CD2 4.27Å; V288-L325 HydrophobicContact CG1-CD1 4.1Å; V288-L325 VanDerWaalsContact O-CD1 3.26Å; V288-L325 WeakPolarHBondContact O-CD1 3.24Å; V288-F351 HydrophobicContact CB-CE1 4.15Å; V288-F351 HydrophobicContact CG2-CE1 3.72Å; V288-F351 HydrophobicContact CG2-CZ 4.03Å
289T88.1Confident88Confident72 Ų7254.1 Ų54.144%0.44228%0.282SS..  trans-106.4154.6174.971.90000111.9E291 S292 V293T289-E291 PolarHBondContact O-N 3.06Å; T289-S292 PolarHBondContact N-OG 2.95Å; T289-S292 PolarHBondContact O-N 2.79Å; T289-S292 VanDerWaalsContact O-N 3.13Å; T289-S292 PolarHBondContact O-OG 2.92Å; T289-S292 WeakPolarHBondContact OG1-CB 3.27Å; T289-S292 PolarHBondContact OG1-N 3.46Å; T289-S292 PolarHBondContact OG1-OG 3.03Å; T289-V293 PolarHBondContact O-N 2.87Å; T289-V293 VanDerWaalsContact O-N 3.11Å
290I86.8Confident87.8Confident62 Ų6256.6 Ų56.632%0.31830%0.295SS..Hα-helixtrans-52.5-42.1174.6-65.4177.9000111V293 A294 P312 I314 L316I290-V293 PolarHBondContact O-N 3.28Å; I290-A294 WeakPolarHBondContact O-CB 3.04Å; I290-A294 PolarHBondContact O-N 2.05Å; I290-P312 HydrophobicContact CG2-CG 3.98Å; I290-I314 HydrophobicContact CG2-CB 4.27Å; I290-I314 HydrophobicContact CG2-CD1 4.36Å; I290-I314 WeakPolarHBondContact O-CD1 3.41Å; I290-L316 HydrophobicContact CG1-CD1 3.75Å
291E88.8Confident87.5Confident145 Ų14555.2 Ų55.268%0.67829%0.293SS*.Hα-helixtrans-66.5-43.6179.4-69.1160.4-168.300111.8T289 V293 A294 D295T289-E291 PolarHBondContact O-N 3.06Å; E291-V293 VanDerWaalsContact C-N 3.34Å; E291-V293 PolarHBondContact O-N 2.77Å; E291-A294 WeakPolarHBondContact O-CB 3.45Å; E291-A294 PolarHBondContact O-N 3.46Å; E291-D295 WeakPolarHBondContact O-CB 3.49Å; E291-D295 PolarHBondContact O-N 3.29Å
292S89.4Confident87.3Confident39 Ų3961.4 Ų61.427%0.27333%0.325SS..Hα-helixtrans-63.5-37.1177.167.10000113.1T289 Y296T289-S292 PolarHBondContact N-OG 2.95Å; T289-S292 PolarHBondContact O-N 2.79Å; T289-S292 VanDerWaalsContact O-N 3.13Å; T289-S292 PolarHBondContact O-OG 2.92Å; T289-S292 WeakPolarHBondContact OG1-CB 3.27Å; T289-S292 PolarHBondContact OG1-N 3.46Å; T289-S292 PolarHBondContact OG1-OG 3.03Å; S292-Y296 WeakPolarHBondContact O-CB 3.31Å; S292-Y296 PolarHBondContact O-N 3.39Å; S292-Y296 VanDerWaalsContact O-N 3.16Å
293V89.6Confident87.3Confident0 Ų058.7 Ų58.70%031%0.312CS..Hα-helixtrans-68.8-43.2173.3179.90000110.1L284 V288 T289 I290 E291 D295 Y296 F297 I314 V331L284-V293 HydrophobicContact CD1-CG2 4.15Å; L284-V293 HydrophobicContact CD2-CG2 4.38Å; V288-V293 HydrophobicContact CG2-CG2 3.27Å; T289-V293 PolarHBondContact O-N 2.87Å; T289-V293 VanDerWaalsContact O-N 3.11Å; I290-V293 PolarHBondContact O-N 3.28Å; E291-V293 VanDerWaalsContact C-N 3.34Å; E291-V293 PolarHBondContact O-N 2.77Å; V293-D295 VanDerWaalsContact C-N 3.33Å; V293-D295 PolarHBondContact O-N 3.35Å; V293-Y296 PolarHBondContact O-N 3.34Å; V293-F297 HydrophobicContact CG1-CD2 3.66Å; V293-F297 HydrophobicContact CG1-CE2 4.04Å; V293-F297 WeakPolarHBondContact O-CD2 3.4Å; V293-F297 PolarHBondContact O-N 3.26Å; V293-I314 HydrophobicContact CB-CD1 4.09Å; V293-I314 HydrophobicContact CB-CG2 4.4Å; V293-I314 HydrophobicContact CG1-CD1 3.94Å; V293-I314 HydrophobicContact CG1-CG2 4.08Å; V293-V331 HydrophobicContact CG1-CG2 3.52Å
294A90.3Very high87.4Confident11 Ų1160.6 Ų60.69%0.09131%0.312CS..Hα-helixtrans-60.3-44.4177.200000111.8I290 E291 Y296 K298 I303 P312 I314I290-A294 WeakPolarHBondContact O-CB 3.04Å; I290-A294 PolarHBondContact O-N 2.05Å; E291-A294 WeakPolarHBondContact O-CB 3.45Å; E291-A294 PolarHBondContact O-N 3.46Å; A294-Y296 VanDerWaalsContact C-N 3.33Å; A294-Y296 PolarHBondContact O-N 3.23Å; A294-K298 WeakPolarHBondContact O-CB 3.31Å; A294-K298 VanDerWaalsContact O-CG 3.31Å; A294-K298 WeakPolarHBondContact O-CG 3.48Å; A294-K298 PolarHBondContact O-N 3.42Å; A294-I303 HydrophobicContact CB-CD1 4.25Å; A294-I303 WeakPolarHBondContact O-CD1 3.1Å; A294-P312 HydrophobicContact CB-CB 4.13Å; A294-P312 HydrophobicContact CB-CG 3.68Å; A294-I314 HydrophobicContact CB-CD1 3.71Å
295D90Very high87.6Confident87 Ų8764.1 Ų64.147%0.46533%0.334SS..Hα-helixtrans-73-24.6-176-90.730.5000114.2E291 V293 K298E291-D295 WeakPolarHBondContact O-CB 3.49Å; E291-D295 PolarHBondContact O-N 3.29Å; V293-D295 VanDerWaalsContact C-N 3.33Å; V293-D295 PolarHBondContact O-N 3.35Å; D295-K298 WeakPolarHBondContact OD1-CE 3.4Å; D295-K298 IonicContact OD1-NZ 2.78Å; D295-K298 PolarHBondContact OD1-NZ 2.64Å; D295-K298 IonicContact OD2-NZ 3.2Å; D295-K298 PolarHBondContact OD2-NZ 3.13Å
296Y89.7Confident87.7Confident48 Ų4866.6 Ų66.619%0.18834%0.343CS..Hα-helixtrans-77.7-54.3170.5-165.6-105.9000111.3S292 V293 A294 K298 Q299 F346 F351 I356S292-Y296 WeakPolarHBondContact O-CB 3.31Å; S292-Y296 PolarHBondContact O-N 3.39Å; S292-Y296 VanDerWaalsContact O-N 3.16Å; V293-Y296 PolarHBondContact O-N 3.34Å; A294-Y296 VanDerWaalsContact C-N 3.33Å; A294-Y296 PolarHBondContact O-N 3.23Å; Y296-K298 PolarHBondContact O-N 2.95Å; Y296-Q299 WeakPolarHBondContact O-CB 3.44Å; Y296-Q299 WeakPolarHBondContact O-CG 3.35Å; Y296-Q299 PolarHBondContact O-N 2.76Å; Y296-F346 HydrophobicContact CD1-CD1 4.01Å; Y296-F346 AromaticContact CD1-CE1 3.8Å; Y296-F346 HydrophobicContact CD1-CE1 3.8Å; Y296-F346 HydrophobicContact CD1-CG 4.45Å; Y296-F346 HydrophobicContact CD1-CZ 4.06Å; Y296-F346 HydrophobicContact CE1-CB 4.38Å; Y296-F346 AromaticContact CE1-CD1 3.18Å; Y296-F346 HydrophobicContact CE1-CD1 3.18Å; Y296-F346 HydrophobicContact CE1-CD2 4.47Å; Y296-F346 AromaticContact CE1-CE1 3.32Å; Y296-F346 HydrophobicContact CE1-CE1 3.32Å; Y296-F346 AromaticContact CE1-CG 3.81Å; Y296-F346 HydrophobicContact CE1-CG 3.81Å; Y296-F346 HydrophobicContact CE1-CZ 4.04Å; Y296-F346 HydrophobicContact CE2-CE1 4.18Å; Y296-F346 HydrophobicContact CG-CE1 4.41Å; Y296-F346 AromaticContact CZ-CD1 3.55Å; Y296-F346 AromaticContact CZ-CE1 3.54Å; Y296-F346 WeakPolarHBondContact O-CZ 3.38Å; Y296-F351 HydrophobicContact CD1-CD2 4.03Å; Y296-F351 HydrophobicContact CD1-CE2 4.34Å; Y296-F351 HydrophobicContact CD2-CD2 4.09Å; Y296-F351 HydrophobicContact CD2-CE2 4.24Å; Y296-F351 HydrophobicContact CE1-CD2 4.19Å; Y296-F351 HydrophobicContact CE2-CD2 4.25Å; Y296-F351 AromaticContact CG-CD2 3.97Å; Y296-F351 HydrophobicContact CG-CD2 3.97Å; Y296-F351 AromaticContact CG-CE2 3.97Å; Y296-F351 HydrophobicContact CG-CE2 3.97Å; Y296-I356 HydrophobicContact CE1-CD1 3.95Å
297F89.3Confident87.8Confident0 Ų071.9 Ų71.90%036%0.364CS..Hα-helixtrans-76.6-20.8-173.7-75.2-78.5000114.2I279 V281 V293 Q299 I300 I303 V331 F333 A342 F346 I356 V358I279-F297 HydrophobicContact CD1-CD1 3.61Å; I279-F297 HydrophobicContact CD1-CE1 3.47Å; I279-F297 VanDerWaalsContact CD1-CE1 3.47Å; I279-F297 HydrophobicContact CD1-CG 4.35Å; I279-F297 HydrophobicContact CD1-CZ 4.12Å; V281-F297 HydrophobicContact CB-CZ 4.49Å; V281-F297 HydrophobicContact CG1-CE2 4.37Å; V281-F297 HydrophobicContact CG1-CZ 4.09Å; V281-F297 HydrophobicContact CG2-CE1 4.25Å; V281-F297 HydrophobicContact CG2-CE2 3.89Å; V281-F297 HydrophobicContact CG2-CZ 3.54Å; V293-F297 HydrophobicContact CG1-CD2 3.66Å; V293-F297 HydrophobicContact CG1-CE2 4.04Å; V293-F297 WeakPolarHBondContact O-CD2 3.4Å; V293-F297 PolarHBondContact O-N 3.26Å; F297-Q299 PolarHBondContact O-N 3.37Å; F297-Q299 VanDerWaalsContact O-N 3.1Å; F297-I300 PolarHBondContact O-N 3.49Å; F297-I303 HydrophobicContact CB-CD1 3.84Å; F297-V331 HydrophobicContact CB-CG1 4.44Å; F297-V331 HydrophobicContact CD2-CG2 4.36Å; F297-F333 HydrophobicContact CB-CE1 4.4Å; F297-F333 HydrophobicContact CB-CZ 4.03Å; F297-F333 HydrophobicContact CD1-CZ 4.22Å; F297-A342 HydrophobicContact CD1-CB 4.32Å; F297-F346 AromaticContact CD1-CD2 3.51Å; F297-F346 HydrophobicContact CD1-CD2 3.51Å; F297-F346 AromaticContact CD1-CE2 3.7Å; F297-F346 HydrophobicContact CD1-CE2 3.7Å; F297-F346 HydrophobicContact CD1-CG 4.4Å; F297-F346 HydrophobicContact CE1-CB 3.95Å; F297-F346 AromaticContact CE1-CD2 3.41Å; F297-F346 HydrophobicContact CE1-CD2 3.41Å; F297-F346 VanDerWaalsContact CE1-CD2 3.41Å; F297-F346 HydrophobicContact CE1-CE2 4.06Å; F297-F346 AromaticContact CE1-CG 3.91Å; F297-F346 HydrophobicContact CE1-CG 3.91Å; F297-F346 HydrophobicContact CG-CE2 4.45Å; F297-F346 HydrophobicContact CZ-CB 4.42Å; F297-F346 HydrophobicContact CZ-CD2 4.4Å; F297-I356 HydrophobicContact CZ-CD1 4.35Å; F297-V358 HydrophobicContact CE1-CG1 4.44Å; F297-V358 HydrophobicContact CE1-CG2 4.36Å; F297-V358 HydrophobicContact CZ-CG2 4.23Å
298K89.9Confident87.8Confident111 Ų11173.6 Ų73.648%0.48336%0.364SS..THydrogen-bonded Turntrans-62.5-15.5174.573-175.7179.5-167.20114.1A294 D295 Y296 I300 G301 I303A294-K298 WeakPolarHBondContact O-CB 3.31Å; A294-K298 VanDerWaalsContact O-CG 3.31Å; A294-K298 WeakPolarHBondContact O-CG 3.48Å; A294-K298 PolarHBondContact O-N 3.42Å; D295-K298 WeakPolarHBondContact OD1-CE 3.4Å; D295-K298 IonicContact OD1-NZ 2.78Å; D295-K298 PolarHBondContact OD1-NZ 2.64Å; D295-K298 IonicContact OD2-NZ 3.2Å; D295-K298 PolarHBondContact OD2-NZ 3.13Å; Y296-K298 PolarHBondContact O-N 2.95Å; K298-I300 VanDerWaalsContact C-N 3.26Å; K298-I300 PolarHBondContact O-N 3.05Å; K298-G301 WeakPolarHBondContact CA-O 3.41Å; K298-I303 HydrophobicContact CB-CD1 4.38Å
299Q87.4Confident87.6Confident133 Ų13377 Ų7762%0.62139%0.385SS*.THydrogen-bonded Turntrans-67.5-26.5180-63.2-178.14.400112.9Y296 F297Y296-Q299 WeakPolarHBondContact O-CB 3.44Å; Y296-Q299 WeakPolarHBondContact O-CG 3.35Å; Y296-Q299 PolarHBondContact O-N 2.76Å; F297-Q299 PolarHBondContact O-N 3.37Å; F297-Q299 VanDerWaalsContact O-N 3.1Å
300I88.5Confident87.3Confident52 Ų5276.4 Ų76.427%0.26739%0.393SS..THydrogen-bonded Turntrans-101.2-28.6-177.8-59.5-62.2000112.3F297 K298 A341 A342 W345 F346F297-I300 PolarHBondContact O-N 3.49Å; K298-I300 VanDerWaalsContact C-N 3.26Å; K298-I300 PolarHBondContact O-N 3.05Å; I300-A341 HydrophobicContact CG2-CB 3.61Å; I300-A342 HydrophobicContact CB-CB 4.43Å; I300-A342 HydrophobicContact CG2-CB 4.19Å; I300-W345 HydrophobicContact CD1-CB 4.23Å; I300-W345 HydrophobicContact CD1-CD2 4.42Å; I300-W345 HydrophobicContact CD1-CG 3.88Å; I300-W345 HydrophobicContact CG1-CG 4.49Å; I300-F346 HydrophobicContact CB-CE2 4.3Å; I300-F346 HydrophobicContact CG1-CD2 4.2Å; I300-F346 HydrophobicContact CG1-CE2 3.39Å; I300-F346 HydrophobicContact CG1-CZ 3.85Å
301G87Confident87.1Confident14 Ų1478.3 Ų78.314%0.14440%0.401CS..SBendtrans-173.7169.8176.500000114.2K298 I303K298-G301 WeakPolarHBondContact CA-O 3.41Å; G301-I303 PolarHBondContact O-N 2.96Å
302I88.6Confident87Confident131 Ų13173.1 Ų73.167%0.67238%0.38SS*.  trans-70.1115.1-175.9-58.4176.7000109.7F333 D334I302-F333 WeakPolarHBondContact O-CA 3.47Å; I302-D334 PolarHBondContact O-N 3.17Å
303I91.7Very high86.9Confident15 Ų1575.6 Ų75.68%0.07739%0.388CS..BIsolated β-bridgetrans-73132.1171.8-59.7174.3000108.7A294 F297 K298 G301 T305 P312 I314 V331 S332 F333A294-I303 HydrophobicContact CB-CD1 4.25Å; A294-I303 WeakPolarHBondContact O-CD1 3.1Å; F297-I303 HydrophobicContact CB-CD1 3.84Å; K298-I303 HydrophobicContact CB-CD1 4.38Å; G301-I303 PolarHBondContact O-N 2.96Å; I303-T305 PolarHBondContact O-N 2.89Å; I303-P312 HydrophobicContact CB-CB 4.46Å; I303-P312 HydrophobicContact CG2-CB 3.64Å; I303-I314 HydrophobicContact CD1-CD1 4.47Å; I303-I314 HydrophobicContact CG2-CG1 4.33Å; I303-V331 HydrophobicContact CD1-CG1 4.13Å; I303-V331 HydrophobicContact CG1-CG1 4.21Å; I303-V331 HydrophobicContact CG2-CG1 4.17Å; I303-S332 WeakPolarHBondContact CG2-O 3.29Å; I303-F333 HydrophobicContact CG1-CD1 4.06Å; I303-F333 HydrophobicContact CG1-CE1 3.89Å
304K89.6Confident87Confident70 Ų7076.4 Ų76.430%0.30439%0.392SS..PPolyproline II helixtrans-67.7120.7-175-175.2170.7-173.61630110.8M313 S332K304-M313 HydrophobicContact CB-CB 4.37Å; K304-M313 HydrophobicContact CD-SD 4.08Å; K304-M313 HydrophobicContact CG-SD 4.39Å; K304-M313 WeakPolarHBondContact O-CA 3.11Å; K304-M313 WeakPolarHBondContact O-CB 3.23Å; K304-M313 PolarHBondContact O-N 3.42Å; K304-S332 VanDerWaalsContact CB-O 3.23Å; K304-S332 WeakPolarHBondContact CB-O 3.48Å; K304-S332 PolarHBondContact N-O 2.86Å
305T89.1Confident87Confident77 Ų7779.7 Ų79.747%0.47241%0.408SS..BIsolated β-bridgetrans-81.9132.9179.4-52.30000112I303 K307 G310I303-T305 PolarHBondContact O-N 2.89Å; T305-K307 PolarHBondContact O-N 3.23Å; T305-G310 WeakPolarHBondContact CG2-O 3.2Å
306N84.7Confident87Confident67 Ų6777.2 Ų77.236%0.35840%0.395SS..  trans-70.8109.1172.9-178.2-7.8000110.2K308 T309 G310 Q311N306-K308 PolarHBondContact O-N 3.12Å; N306-K308 PolarHBondContact OD1-N 3.29Å; N306-K308 VanDerWaalsContact OD1-N 3.14Å; N306-T309 PolarHBondContact O-N 2.7Å; N306-G310 PolarHBondContact O-N 2.82Å; N306-Q311 WeakPolarHBondContact CB-O 3.2Å; N306-Q311 PolarHBondContact N-O 2.69Å
307K81.3Confident87Confident211 Ų21179.3 Ų79.392%0.91740%0.403SS*.THydrogen-bonded Turntrans-59.6-7.3-176.9-60.7-174.7179.5-1780115.4T305T305-K307 PolarHBondContact O-N 3.23Å
308K79.4Confident86.8Confident196 Ų19683.4 Ų83.485%0.85243%0.428SS*.THydrogen-bonded Turntrans-96.4-26.1174.7-66.2-171.8176.4-1730114.7N306N306-K308 PolarHBondContact O-N 3.12Å; N306-K308 PolarHBondContact OD1-N 3.29Å; N306-K308 VanDerWaalsContact OD1-N 3.14Å
309T79.8Confident86.5Confident77 Ų7780.6 Ų80.647%0.47242%0.418SS..THydrogen-bonded Turntrans-123.3-10.1-173.458.80000113.8N306 Q311N306-T309 PolarHBondContact O-N 2.7Å; T309-Q311 PolarHBondContact O-N 2.93Å; T309-Q311 VanDerWaalsContact O-N 3.13Å
310G81.4Confident86.1Confident59 Ų5985.7 Ų85.761%0.60843%0.432SS*.SBendtrans70.8-1.8-174.600000114.2T305 N306T305-G310 WeakPolarHBondContact CG2-O 3.2Å; N306-G310 PolarHBondContact O-N 2.82Å
311Q82.6Confident85.6Confident102 Ų10292 Ų9248%0.47746%0.46SS..SBendtrans-88152-179-69.3171-39.300111.7N306 T309N306-Q311 WeakPolarHBondContact CB-O 3.2Å; N306-Q311 PolarHBondContact N-O 2.69Å; T309-Q311 PolarHBondContact O-N 2.93Å; T309-Q311 VanDerWaalsContact O-N 3.13Å
312P88.1Confident85.2Confident36 Ų3695.6 Ų95.623%0.23448%0.48CS..BIsolated β-bridgetrans-57.914217224.7-34000111.2I290 A294 I303 I314I290-P312 HydrophobicContact CG2-CG 3.98Å; A294-P312 HydrophobicContact CB-CB 4.13Å; A294-P312 HydrophobicContact CB-CG 3.68Å; I303-P312 HydrophobicContact CB-CB 4.46Å; I303-P312 HydrophobicContact CG2-CB 3.64Å; P312-I314 HydrophobicContact CB-CD1 3.93Å; P312-I314 HydrophobicContact CB-CG1 4.16Å; P312-I314 HydrophobicContact CG-CD1 4.03Å; P312-I314 PolarHBondContact O-N 3.22Å
313M87.6Confident84.6Confident90 Ų9092.1 Ų92.144%0.44348%0.476SS..SBendtrans-79.170.7-177.5-173.8172.6165.100110.6K304 S332K304-M313 HydrophobicContact CB-CB 4.37Å; K304-M313 HydrophobicContact CD-SD 4.08Å; K304-M313 HydrophobicContact CG-SD 4.39Å; K304-M313 WeakPolarHBondContact O-CA 3.11Å; K304-M313 WeakPolarHBondContact O-CB 3.23Å; K304-M313 PolarHBondContact O-N 3.42Å; M313-S332 PolarHBondContact O-N 3.02Å; M313-S332 PolarHBondContact O-OG 3.42Å
314I91.3Very high84.1Confident17 Ų1796.1 Ų96.19%0.08749%0.493CS..EExtended strand (participates in β ladder)trans-115133.4177.7-60.4170.6000107.7I290 V293 A294 I303 P312 T330 V331I290-I314 HydrophobicContact CG2-CB 4.27Å; I290-I314 HydrophobicContact CG2-CD1 4.36Å; I290-I314 WeakPolarHBondContact O-CD1 3.41Å; V293-I314 HydrophobicContact CB-CD1 4.09Å; V293-I314 HydrophobicContact CB-CG2 4.4Å; V293-I314 HydrophobicContact CG1-CD1 3.94Å; V293-I314 HydrophobicContact CG1-CG2 4.08Å; A294-I314 HydrophobicContact CB-CD1 3.71Å; I303-I314 HydrophobicContact CD1-CD1 4.47Å; I303-I314 HydrophobicContact CG2-CG1 4.33Å; P312-I314 HydrophobicContact CB-CD1 3.93Å; P312-I314 HydrophobicContact CB-CG1 4.16Å; P312-I314 HydrophobicContact CG-CD1 4.03Å; P312-I314 PolarHBondContact O-N 3.22Å; I314-T330 CarbonylContact C-O 3.38Å; I314-T330 VanDerWaalsContact CA-O 3.29Å; I314-T330 WeakPolarHBondContact CA-O 3.16Å; I314-V331 HydrophobicContact CG1-CB 4.45Å; I314-V331 HydrophobicContact CG1-CG1 4.11Å; I314-V331 HydrophobicContact CG1-CG2 4.17Å; I314-V331 HydrophobicContact CG2-CG2 4.31Å
315N89.9Confident83.7Confident81 Ų8194.9 Ų94.943%0.43349%0.489SS..EExtended strand (participates in β ladder)trans-124.1104.2175.5177.383.5000109.6Y317 A329 T330N315-Y317 VanDerWaalsContact ND2-CE1 3.31Å; N315-Y317 WeakPolarHBondContact ND2-CE1 3.36Å; N315-Y317 PolarHBondContact ND2-OH 3.5Å; N315-A329 WeakPolarHBondContact O-CA 3.4Å; N315-T330 PolarHBondContact N-O 3.08Å; N315-T330 PolarHBondContact O-N 2.86Å
316L90.3Very high83.5Confident35 Ų3596.8 Ų96.818%0.18349%0.491CS..EExtended strand (participates in β ladder)trans-76.3134.6172.8-76164.5000110.2L284 V288 I290 L325 A329L284-L316 HydrophobicContact CD1-CD2 4.46Å; V288-L316 HydrophobicContact CG1-CD2 3.73Å; V288-L316 HydrophobicContact CG2-CD2 4.27Å; I290-L316 HydrophobicContact CG1-CD1 3.75Å; L316-L325 HydrophobicContact CB-CD2 3.98Å; L316-L325 HydrophobicContact CD1-CD2 4.39Å; L316-L325 HydrophobicContact CD2-CD2 4.42Å; L316-A329 HydrophobicContact CD2-CB 3.89Å
317Y88.5Confident83.6Confident92 Ų9293.8 Ų93.836%0.36148%0.476SS..EExtended strand (participates in β ladder)trans-95.9112.7173.6-62.7-83.4000109.4F280 N315 K326 E328 T330F280-Y317 HydrophobicContact CE2-CD2 4.14Å; F280-Y317 AromaticContact CE2-CE2 3.95Å; F280-Y317 HydrophobicContact CE2-CE2 3.95Å; N315-Y317 VanDerWaalsContact ND2-CE1 3.31Å; N315-Y317 WeakPolarHBondContact ND2-CE1 3.36Å; N315-Y317 PolarHBondContact ND2-OH 3.5Å; Y317-K326 WeakPolarHBondContact O-CB 3.23Å; Y317-K326 PolarHBondContact O-N 2.83Å; Y317-E328 HydrophobicContact CD2-CB 4.12Å; Y317-E328 PolarHBondContact N-O 3.12Å; Y317-T330 HydrophobicContact CE2-CG2 4.24Å; Y317-T330 PolarHBondContact OH-OG1 2.86Å
318T86.4Confident84Confident86 Ų8685.5 Ų85.553%0.52844%0.44SS..EExtended strand (participates in β ladder)trans-77.9147.8158.846.20000109.8K324 L325T318-K324 CarbonylContact C-O 3.54Å; T318-K324 WeakPolarHBondContact CA-O 3.32Å; T318-L325 HydrophobicContact CG2-CD2 3.74Å; T318-L325 HydrophobicContact CG2-CG 4.1Å
319D83.5Confident84.6Confident51 Ų5176.1 Ų76.127%0.27340%0.4SS..  trans-68.6137.3159.6171.337.6000109.1E321 T322 G323 K324D319-E321 PolarHBondContact OD1-N 3.34Å; D319-E321 PolarHBondContact OD2-N 2.82Å; D319-T322 VanDerWaalsContact OD2-CB 3.31Å; D319-T322 WeakPolarHBondContact OD2-CB 3.45Å; D319-T322 WeakPolarHBondContact OD2-CG2 3.44Å; D319-T322 PolarHBondContact OD2-N 3.37Å; D319-T322 PolarHBondContact OD2-OG1 3.21Å; D319-G323 VanDerWaalsContact O-CA 3.27Å; D319-G323 WeakPolarHBondContact O-CA 3.16Å; D319-G323 PolarHBondContact O-N 3.41Å; D319-G323 VanDerWaalsContact O-N 3.15Å; D319-K324 PolarHBondContact N-O 3.17Å
320R78.6Confident85.2Confident240 Ų24073.7 Ų73.791%0.90639%0.385SS*.THydrogen-bonded Turntrans-82.6-22.3-177.3-173.9174176-144.8-7.8112.5
321E77.8Confident85.7Confident184 Ų18470.9 Ų70.986%0.8636%0.356SS*.THydrogen-bonded Turntrans-89-43.7-175.8-59.5-168.6167.100111.8D319D319-E321 PolarHBondContact OD1-N 3.34Å; D319-E321 PolarHBondContact OD2-N 2.82Å
322T79.6Confident86.1Confident90 Ų9066.4 Ų66.455%0.55234%0.336SS*.THydrogen-bonded Turntrans-94-15.4177.463.50000114.5D319 K324D319-T322 VanDerWaalsContact OD2-CB 3.31Å; D319-T322 WeakPolarHBondContact OD2-CB 3.45Å; D319-T322 WeakPolarHBondContact OD2-CG2 3.44Å; D319-T322 PolarHBondContact OD2-N 3.37Å; D319-T322 PolarHBondContact OD2-OG1 3.21Å; T322-K324 PolarHBondContact O-N 3.39Å; T322-K324 VanDerWaalsContact O-N 3.15Å; T322-K324 PolarHBondContact OG1-N 2.94Å
323G75.8Confident86.3Confident58 Ų5864.7 Ų64.760%0.59833%0.325SS*.  trans71.8-5.4-174.500000115.1D319D319-G323 VanDerWaalsContact O-CA 3.27Å; D319-G323 WeakPolarHBondContact O-CA 3.16Å; D319-G323 PolarHBondContact O-N 3.41Å; D319-G323 VanDerWaalsContact O-N 3.15Å
324K79.6Confident86.4Confident100 Ų10065.2 Ų65.244%0.43533%0.329SS..SBendtrans-66.7154.4176-73163.7164.7-86.10111E286 T318 D319 T322 K326E286-K324 IonicContact OE1-NZ 2.69Å; E286-K324 PolarHBondContact OE1-NZ 3.15Å; E286-K324 IonicContact OE2-NZ 3.49Å; E286-K324 PolarHBondContact OE2-NZ 2.78Å; T318-K324 CarbonylContact C-O 3.54Å; T318-K324 WeakPolarHBondContact CA-O 3.32Å; D319-K324 PolarHBondContact N-O 3.17Å; T322-K324 PolarHBondContact O-N 3.39Å; T322-K324 VanDerWaalsContact O-N 3.15Å; T322-K324 PolarHBondContact OG1-N 2.94Å; K324-K326 PolarHBondContact O-N 2.78Å
325L82.6Confident86.4Confident43 Ų4367.5 Ų67.523%0.22534%0.342CS..EExtended strand (participates in β ladder)trans-67.4127.2165.3-82163000109.3E286 V288 L316 T318 G327E286-L325 WeakPolarHBondContact O-CD1 3.49Å; V288-L325 HydrophobicContact CG1-CD1 4.1Å; V288-L325 VanDerWaalsContact O-CD1 3.26Å; V288-L325 WeakPolarHBondContact O-CD1 3.24Å; L316-L325 HydrophobicContact CB-CD2 3.98Å; L316-L325 HydrophobicContact CD1-CD2 4.39Å; L316-L325 HydrophobicContact CD2-CD2 4.42Å; T318-L325 HydrophobicContact CG2-CD2 3.74Å; T318-L325 HydrophobicContact CG2-CG 4.1Å; L325-G327 PolarHBondContact O-N 2.82Å; L325-G327 VanDerWaalsContact O-N 3.12Å
326K84.4Confident86.3Confident117 Ų11765.7 Ų65.751%0.50933%0.334SS..EExtended strand (participates in β ladder)trans-74.21.7-177.3-158-170.4162.1-150.70112.8Y317 K324 E328Y317-K326 WeakPolarHBondContact O-CB 3.23Å; Y317-K326 PolarHBondContact O-N 2.83Å; K324-K326 PolarHBondContact O-N 2.78Å; K326-E328 HydrophobicContact CD-CG 4.41Å; K326-E328 WeakPolarHBondContact CD-OE2 3.34Å; K326-E328 VanDerWaalsContact CE-OE1 3.23Å; K326-E328 WeakPolarHBondContact CE-OE1 3.33Å; K326-E328 WeakPolarHBondContact CE-OE2 3.47Å; K326-E328 IonicContact NZ-OE1 2.71Å; K326-E328 PolarHBondContact NZ-OE1 3.13Å; K326-E328 IonicContact NZ-OE2 2.7Å; K326-E328 PolarHBondContact NZ-OE2 2.84Å; K326-E328 PolarHBondContact O-N 3.25Å
327G86.5Confident86.2Confident4 Ų468.1 Ų68.14%0.04135%0.352CS..EExtended strand (participates in β ladder)trans65.117.6-170.100000113.9Q282 G283 L284 G285 L325Q282-G327 CarbonylContact C-O 3.57Å; G283-G327 PolarHBondContact N-O 3.46Å; L284-G327 WeakPolarHBondContact CB-O 3.42Å; L284-G327 PolarHBondContact N-O 3.18Å; G285-G327 WeakPolarHBondContact O-CA 3.38Å; L325-G327 PolarHBondContact O-N 2.82Å; L325-G327 VanDerWaalsContact O-N 3.12Å
328E90.7Very high86.3Confident37 Ų3764.7 Ų64.717%0.17334%0.342CS..EExtended strand (participates in β ladder)trans-115.2138.4-178.1-73.3179.1-175.300111.5F280 V281 Q282 Y317 K326F280-E328 HydrophobicContact CE2-CB 4.04Å; F280-E328 HydrophobicContact CE2-CG 4.43Å; F280-E328 HydrophobicContact CZ-CB 4.07Å; F280-E328 HydrophobicContact CZ-CG 3.96Å; V281-E328 CarbonylContact O-C 3.55Å; V281-E328 VanDerWaalsContact O-CA 3.29Å; V281-E328 WeakPolarHBondContact O-CA 3.14Å; Q282-E328 HydrophobicContact CB-CG 4.42Å; Q282-E328 HydrophobicContact CG-CG 4.28Å; Y317-E328 HydrophobicContact CD2-CB 4.12Å; Y317-E328 PolarHBondContact N-O 3.12Å; K326-E328 HydrophobicContact CD-CG 4.41Å; K326-E328 WeakPolarHBondContact CD-OE2 3.34Å; K326-E328 VanDerWaalsContact CE-OE1 3.23Å; K326-E328 WeakPolarHBondContact CE-OE1 3.33Å; K326-E328 WeakPolarHBondContact CE-OE2 3.47Å; K326-E328 IonicContact NZ-OE1 2.71Å; K326-E328 PolarHBondContact NZ-OE1 3.13Å; K326-E328 IonicContact NZ-OE2 2.7Å; K326-E328 PolarHBondContact NZ-OE2 2.84Å; K326-E328 PolarHBondContact O-N 3.25Å
329A91.7Very high86.5Confident0 Ų060.6 Ų60.60%032%0.317CS..EExtended strand (participates in β ladder)trans-141.7146.4176.100000111.9F280 V281 L284 N315 L316F280-A329 WeakPolarHBondContact CD2-O 2.96Å; V281-A329 PolarHBondContact N-O 2.61Å; V281-A329 PolarHBondContact O-N 2.89Å; L284-A329 HydrophobicContact CD1-CB 3.5Å; N315-A329 WeakPolarHBondContact O-CA 3.4Å; L316-A329 HydrophobicContact CD2-CB 3.89Å
330T92.6Very high86.8Confident26 Ų2663.5 Ų63.516%0.1633%0.327CS..EExtended strand (participates in β ladder)trans-99.5136.3155.338.10000110.1I279 F280 I314 N315 Y317 A361I279-T330 WeakPolarHBondContact O-CA 3.18Å; F280-T330 HydrophobicContact CB-CG2 4.33Å; F280-T330 HydrophobicContact CD2-CG2 3.73Å; F280-T330 HydrophobicContact CG-CG2 4.47Å; I314-T330 CarbonylContact C-O 3.38Å; I314-T330 VanDerWaalsContact CA-O 3.29Å; I314-T330 WeakPolarHBondContact CA-O 3.16Å; N315-T330 PolarHBondContact N-O 3.08Å; N315-T330 PolarHBondContact O-N 2.86Å; Y317-T330 HydrophobicContact CE2-CG2 4.24Å; Y317-T330 PolarHBondContact OH-OG1 2.86Å; T330-A361 HydrophobicContact CG2-CB 4.12Å
331V92.2Very high87.4Confident0 Ų054.1 Ų54.10%030%0.301CS..EExtended strand (participates in β ladder)trans-122.3122.1176.8-1800000108.1T278 I279 V281 V293 F297 I303 I314 F333T278-V331 WeakPolarHBondContact CA-O 3.22Å; I279-V331 HydrophobicContact CD1-CB 4.17Å; I279-V331 HydrophobicContact CG1-CB 3.75Å; I279-V331 HydrophobicContact CG1-CG2 4.44Å; I279-V331 PolarHBondContact N-O 3.49Å; I279-V331 PolarHBondContact O-N 2.81Å; V281-V331 HydrophobicContact CG2-CG2 4.4Å; V293-V331 HydrophobicContact CG1-CG2 3.52Å; F297-V331 HydrophobicContact CB-CG1 4.44Å; F297-V331 HydrophobicContact CD2-CG2 4.36Å; I303-V331 HydrophobicContact CD1-CG1 4.13Å; I303-V331 HydrophobicContact CG1-CG1 4.21Å; I303-V331 HydrophobicContact CG2-CG1 4.17Å; I314-V331 HydrophobicContact CG1-CB 4.45Å; I314-V331 HydrophobicContact CG1-CG1 4.11Å; I314-V331 HydrophobicContact CG1-CG2 4.17Å; I314-V331 HydrophobicContact CG2-CG2 4.31Å; V331-F333 HydrophobicContact CG1-CE2 4.35Å; V331-F333 HydrophobicContact CG1-CZ 4.41Å
332S91.3Very high88Confident7 Ų745.4 Ų45.45%0.04926%0.26CS..EExtended strand (participates in β ladder)trans-97.1117175.5-47.80000110.1N277 I303 K304 M313N277-S332 CarbonylContact O-C 3.59Å; I303-S332 WeakPolarHBondContact CG2-O 3.29Å; K304-S332 VanDerWaalsContact CB-O 3.23Å; K304-S332 WeakPolarHBondContact CB-O 3.48Å; K304-S332 PolarHBondContact N-O 2.86Å; M313-S332 PolarHBondContact O-N 3.02Å; M313-S332 PolarHBondContact O-OG 3.42Å
333F92.1Very high88.6Confident0 Ų042 Ų420%024%0.238CC..BIsolated β-bridgetrans-79.2161164.8-65.1-82.4000110.6N277 I279 F297 I302 I303 V331 A339 A342N277-F333 PolarHBondContact ND2-O 3.06Å; N277-F333 PolarHBondContact O-N 2.9Å; I279-F333 HydrophobicContact CD1-CE2 3.72Å; I279-F333 HydrophobicContact CD1-CZ 4.24Å; I279-F333 HydrophobicContact CG1-CE2 3.85Å; I279-F333 HydrophobicContact CG2-CD2 4.45Å; I279-F333 HydrophobicContact CG2-CE2 4.06Å; F297-F333 HydrophobicContact CB-CE1 4.4Å; F297-F333 HydrophobicContact CB-CZ 4.03Å; F297-F333 HydrophobicContact CD1-CZ 4.22Å; I302-F333 WeakPolarHBondContact O-CA 3.47Å; I303-F333 HydrophobicContact CG1-CD1 4.06Å; I303-F333 HydrophobicContact CG1-CE1 3.89Å; V331-F333 HydrophobicContact CG1-CE2 4.35Å; V331-F333 HydrophobicContact CG1-CZ 4.41Å; F333-A339 HydrophobicContact CB-CB 4.44Å; F333-A339 HydrophobicContact CD2-CB 3.62Å; F333-A339 HydrophobicContact CE2-CB 4.3Å; F333-A339 HydrophobicContact CG-CB 4.35Å; F333-A342 HydrophobicContact CE2-CB 3.71Å; F333-A342 HydrophobicContact CZ-CB 3.56Å
334D90.1Very high89.3Confident102 Ų10244.9 Ų44.955%0.54524%0.24SC..SBendtrans-73.3-42.2169.5-150.652.1000109.7N277 I302N277-D334 PolarHBondContact ND2-O 2.63Å; I302-D334 PolarHBondContact O-N 3.17Å
335D89.3Confident89.8Confident65 Ų6547.6 Ų47.635%0.34825%0.247SC..SBendtrans-102.2133.1-172.8172.969.4000113.8P337 S338 A339D335-P337 WeakPolarHBondContact OD1-CD 3.12Å; D335-P337 WeakPolarHBondContact OD2-CD 3.31Å; D335-P337 VanDerWaalsContact OD2-CG 3.3Å; D335-P337 WeakPolarHBondContact OD2-CG 3.31Å; D335-S338 VanDerWaalsContact OD2-CB 3.26Å; D335-S338 WeakPolarHBondContact OD2-CB 3.44Å; D335-S338 PolarHBondContact OD2-N 2.92Å; D335-S338 PolarHBondContact OD2-OG 2.96Å; D335-A339 PolarHBondContact O-N 3.2Å
336P88.4Confident90.2Very high42 Ų4245.7 Ų45.727%0.27324%0.237SC..Hα-helixtrans-65.5-50.6178.3-20.130.8000116.7N277 S338 A339 K340N277-P336 HydrophobicContact CB-CB 4.37Å; N277-P336 HydrophobicContact CB-CG 4.15Å; P336-S338 PolarHBondContact O-N 3.33Å; P336-A339 WeakPolarHBondContact O-CA 3.38Å; P336-A339 VanDerWaalsContact O-CB 3.31Å; P336-A339 WeakPolarHBondContact O-CB 3.26Å; P336-A339 PolarHBondContact O-N 2.82Å; P336-K340 PolarHBondContact O-N 3.49Å
337P89.1Confident90.6Very high86 Ų8643.8 Ų43.856%0.55823%0.233SC*.Hα-helixtrans-60.8-30.9177.716.4-26.4000113.6D335 A339 K340 A341D335-P337 WeakPolarHBondContact OD1-CD 3.12Å; D335-P337 WeakPolarHBondContact OD2-CD 3.31Å; D335-P337 VanDerWaalsContact OD2-CG 3.3Å; D335-P337 WeakPolarHBondContact OD2-CG 3.31Å; P337-A339 VanDerWaalsContact C-N 3.3Å; P337-A339 PolarHBondContact O-N 3.18Å; P337-K340 WeakPolarHBondContact O-CB 3.49Å; P337-K340 PolarHBondContact O-N 2.9Å; P337-K340 VanDerWaalsContact O-N 3.16Å; P337-A341 PolarHBondContact O-N 2.93Å
338S90.4Very high90.7Very high21 Ų2146.5 Ų46.515%0.14726%0.26CS..Hα-helixtrans-58-40.2169.7-620000112.6D335 P336 K340 A341 A342D335-S338 VanDerWaalsContact OD2-CB 3.26Å; D335-S338 WeakPolarHBondContact OD2-CB 3.44Å; D335-S338 PolarHBondContact OD2-N 2.92Å; D335-S338 PolarHBondContact OD2-OG 2.96Å; P336-S338 PolarHBondContact O-N 3.33Å; S338-K340 VanDerWaalsContact C-N 3.34Å; S338-A341 PolarHBondContact O-N 2.85Å; S338-A342 WeakPolarHBondContact O-CB 3.34Å; S338-A342 PolarHBondContact O-N 3.05Å
339A90.3Very high90.6Very high0 Ų049.4 Ų49.40%027%0.273CS..Hα-helixtrans-66.4-36176.100000112.2N276 I279 F333 D335 P336 P337 I343N276-A339 WeakPolarHBondContact O-CB 3.48Å; I279-A339 HydrophobicContact CG2-CB 3.96Å; I279-A339 VanDerWaalsContact CG2-O 3.32Å; I279-A339 WeakPolarHBondContact CG2-O 3.44Å; F333-A339 HydrophobicContact CB-CB 4.44Å; F333-A339 HydrophobicContact CD2-CB 3.62Å; F333-A339 HydrophobicContact CE2-CB 4.3Å; F333-A339 HydrophobicContact CG-CB 4.35Å; D335-A339 PolarHBondContact O-N 3.2Å; P336-A339 WeakPolarHBondContact O-CA 3.38Å; P336-A339 VanDerWaalsContact O-CB 3.31Å; P336-A339 WeakPolarHBondContact O-CB 3.26Å; P336-A339 PolarHBondContact O-N 2.82Å; P337-A339 VanDerWaalsContact C-N 3.3Å; P337-A339 PolarHBondContact O-N 3.18Å; A339-I343 WeakPolarHBondContact O-CG1 3.23Å; A339-I343 PolarHBondContact O-N 3.28Å
340K89.9Confident90.4Very high112 Ų11256.2 Ų56.249%0.48730%0.304SS..Hα-helixtrans-65-51.4172.3-173.4-177.5172-174.80111.5P336 P337 S338 A342 I343 D344 F360P336-K340 PolarHBondContact O-N 3.49Å; P337-K340 WeakPolarHBondContact O-CB 3.49Å; P337-K340 PolarHBondContact O-N 2.9Å; P337-K340 VanDerWaalsContact O-N 3.16Å; S338-K340 VanDerWaalsContact C-N 3.34Å; K340-A342 PolarHBondContact O-N 3.33Å; K340-I343 WeakPolarHBondContact O-CA 3.29Å; K340-I343 WeakPolarHBondContact O-CB 3.31Å; K340-I343 PolarHBondContact O-N 2.89Å; K340-D344 VanDerWaalsContact CE-OD2 3.31Å; K340-D344 WeakPolarHBondContact CE-OD2 3.31Å; K340-D344 PolarHBondContact O-N 3.11Å; K340-F360 HydrophobicContact CB-CE1 4.39Å; K340-F360 HydrophobicContact CB-CZ 3.83Å; K340-F360 HydrophobicContact CG-CZ 3.95Å
341A91.4Very high90Very high43 Ų4355.5 Ų55.536%0.35530%0.299SS..Hα-helixtrans-58.9-33.2179.400000112.2I300 P337 S338 I343 D344 W345I300-A341 HydrophobicContact CG2-CB 3.61Å; P337-A341 PolarHBondContact O-N 2.93Å; S338-A341 PolarHBondContact O-N 2.85Å; A341-I343 VanDerWaalsContact C-N 3.34Å; A341-D344 PolarHBondContact O-N 2.78Å; A341-W345 VanDerWaalsContact O-CB 3.23Å; A341-W345 WeakPolarHBondContact O-CB 3.29Å; A341-W345 PolarHBondContact O-N 2.83Å
342A91Very high89.5Confident0 Ų060.3 Ų60.30%033%0.332CS..Hα-helixtrans-68.1-30174.800000113.3I279 F297 I300 F333 S338 K340 F346I279-A342 HydrophobicContact CD1-CB 4.32Å; F297-A342 HydrophobicContact CD1-CB 4.32Å; I300-A342 HydrophobicContact CB-CB 4.43Å; I300-A342 HydrophobicContact CG2-CB 4.19Å; F333-A342 HydrophobicContact CE2-CB 3.71Å; F333-A342 HydrophobicContact CZ-CB 3.56Å; S338-A342 WeakPolarHBondContact O-CB 3.34Å; S338-A342 PolarHBondContact O-N 3.05Å; K340-A342 PolarHBondContact O-N 3.33Å; A342-F346 HydrophobicContact CB-CD2 4.31Å; A342-F346 VanDerWaalsContact O-CB 3.31Å; A342-F346 WeakPolarHBondContact O-CB 3.48Å; A342-F346 WeakPolarHBondContact O-CD2 3.41Å; A342-F346 PolarHBondContact O-N 3.48Å
343I91.3Very high89Confident19 Ų1962.9 Ų62.910%0.09736%0.36CS..Hα-helixtrans-69.1-56.8169.9-64.8156.6000109.1I279 A339 K340 A341 W345 F346 D347 V358 F360I279-I343 HydrophobicContact CG2-CD1 4.07Å; I279-I343 HydrophobicContact CG2-CG1 3.85Å; A339-I343 WeakPolarHBondContact O-CG1 3.23Å; A339-I343 PolarHBondContact O-N 3.28Å; K340-I343 WeakPolarHBondContact O-CA 3.29Å; K340-I343 WeakPolarHBondContact O-CB 3.31Å; K340-I343 PolarHBondContact O-N 2.89Å; A341-I343 VanDerWaalsContact C-N 3.34Å; I343-W345 PolarHBondContact O-N 2.97Å; I343-F346 PolarHBondContact O-N 3.03Å; I343-D347 VanDerWaalsContact O-CB 3.31Å; I343-D347 WeakPolarHBondContact O-CB 3.5Å; I343-D347 PolarHBondContact O-N 3.41Å; I343-V358 HydrophobicContact CB-CG1 4.36Å; I343-V358 HydrophobicContact CG1-CG1 3.88Å; I343-F360 HydrophobicContact CD1-CB 4.23Å; I343-F360 HydrophobicContact CD1-CD1 3.63Å; I343-F360 HydrophobicContact CD1-CD2 3.47Å; I343-F360 VanDerWaalsContact CD1-CD2 3.47Å; I343-F360 HydrophobicContact CD1-CE1 3.74Å; I343-F360 HydrophobicContact CD1-CE2 3.58Å; I343-F360 HydrophobicContact CD1-CG 3.5Å; I343-F360 VanDerWaalsContact CD1-CG 3.5Å; I343-F360 HydrophobicContact CD1-CZ 3.72Å; I343-F360 VanDerWaalsContact CD1-N 3.35Å
344D91.3Very high88.7Confident118 Ų11866.1 Ų66.163%0.63138%0.378SS*.Hα-helixtrans-60.4-23.3-173.9-62.5-20.6000113.1K340 A341K340-D344 VanDerWaalsContact CE-OD2 3.31Å; K340-D344 WeakPolarHBondContact CE-OD2 3.31Å; K340-D344 PolarHBondContact O-N 3.11Å; A341-D344 PolarHBondContact O-N 2.78Å
345W90.1Very high88.7Confident157 Ų15765.8 Ų65.860%0.59538%0.381SS*.Hα-helixtrans-98.1-34.9180-170.8-98.9000115.2I300 A341 I343 K349I300-W345 HydrophobicContact CD1-CB 4.23Å; I300-W345 HydrophobicContact CD1-CD2 4.42Å; I300-W345 HydrophobicContact CD1-CG 3.88Å; I300-W345 HydrophobicContact CG1-CG 4.49Å; A341-W345 VanDerWaalsContact O-CB 3.23Å; A341-W345 WeakPolarHBondContact O-CB 3.29Å; A341-W345 PolarHBondContact O-N 2.83Å; I343-W345 PolarHBondContact O-N 2.97Å; W345-K349 WeakPolarHBondContact O-CE 3.49Å; W345-K349 WeakPolarHBondContact O-CG 3.34Å
346F90.6Very high88.9Confident4 Ų462.9 Ų62.92%0.01837%0.365CS..Hα-helixtrans-106.2-11.6-173.5-64-61.8000114.9Y296 F297 I300 A342 I343 G348 K349 I356 V358Y296-F346 HydrophobicContact CD1-CD1 4.01Å; Y296-F346 AromaticContact CD1-CE1 3.8Å; Y296-F346 HydrophobicContact CD1-CE1 3.8Å; Y296-F346 HydrophobicContact CD1-CG 4.45Å; Y296-F346 HydrophobicContact CD1-CZ 4.06Å; Y296-F346 HydrophobicContact CE1-CB 4.38Å; Y296-F346 AromaticContact CE1-CD1 3.18Å; Y296-F346 HydrophobicContact CE1-CD1 3.18Å; Y296-F346 HydrophobicContact CE1-CD2 4.47Å; Y296-F346 AromaticContact CE1-CE1 3.32Å; Y296-F346 HydrophobicContact CE1-CE1 3.32Å; Y296-F346 AromaticContact CE1-CG 3.81Å; Y296-F346 HydrophobicContact CE1-CG 3.81Å; Y296-F346 HydrophobicContact CE1-CZ 4.04Å; Y296-F346 HydrophobicContact CE2-CE1 4.18Å; Y296-F346 HydrophobicContact CG-CE1 4.41Å; Y296-F346 AromaticContact CZ-CD1 3.55Å; Y296-F346 AromaticContact CZ-CE1 3.54Å; Y296-F346 WeakPolarHBondContact O-CZ 3.38Å; F297-F346 AromaticContact CD1-CD2 3.51Å; F297-F346 HydrophobicContact CD1-CD2 3.51Å; F297-F346 AromaticContact CD1-CE2 3.7Å; F297-F346 HydrophobicContact CD1-CE2 3.7Å; F297-F346 HydrophobicContact CD1-CG 4.4Å; F297-F346 HydrophobicContact CE1-CB 3.95Å; F297-F346 AromaticContact CE1-CD2 3.41Å; F297-F346 HydrophobicContact CE1-CD2 3.41Å; F297-F346 VanDerWaalsContact CE1-CD2 3.41Å; F297-F346 HydrophobicContact CE1-CE2 4.06Å; F297-F346 AromaticContact CE1-CG 3.91Å; F297-F346 HydrophobicContact CE1-CG 3.91Å; F297-F346 HydrophobicContact CG-CE2 4.45Å; F297-F346 HydrophobicContact CZ-CB 4.42Å; F297-F346 HydrophobicContact CZ-CD2 4.4Å; I300-F346 HydrophobicContact CB-CE2 4.3Å; I300-F346 HydrophobicContact CG1-CD2 4.2Å; I300-F346 HydrophobicContact CG1-CE2 3.39Å; I300-F346 HydrophobicContact CG1-CZ 3.85Å; A342-F346 HydrophobicContact CB-CD2 4.31Å; A342-F346 VanDerWaalsContact O-CB 3.31Å; A342-F346 WeakPolarHBondContact O-CB 3.48Å; A342-F346 WeakPolarHBondContact O-CD2 3.41Å; A342-F346 PolarHBondContact O-N 3.48Å; I343-F346 PolarHBondContact O-N 3.03Å; F346-G348 PolarHBondContact O-N 2.74Å; F346-K349 HydrophobicContact CD1-CG 4.45Å; F346-K349 WeakPolarHBondContact O-CB 3.32Å; F346-K349 PolarHBondContact O-N 3.13Å; F346-I356 HydrophobicContact CB-CD1 4.25Å; F346-V358 HydrophobicContact CB-CG2 3.87Å
347D92.4Very high89.1Confident77 Ų7766.6 Ų66.641%0.41238%0.377SS..THydrogen-bonded Turntrans-63.1130.5173.3-165.636.8000111I343 K349 K357 V358I343-D347 VanDerWaalsContact O-CB 3.31Å; I343-D347 WeakPolarHBondContact O-CB 3.5Å; I343-D347 PolarHBondContact O-N 3.41Å; D347-K349 VanDerWaalsContact C-N 3.26Å; D347-K349 PolarHBondContact O-N 3.11Å; D347-K357 VanDerWaalsContact OD1-CA 3.23Å; D347-K357 WeakPolarHBondContact OD1-CA 3.4Å; D347-K357 VanDerWaalsContact OD1-CG 3.24Å; D347-K357 WeakPolarHBondContact OD1-CG 3.38Å; D347-V358 HydrophobicContact CB-CB 4.19Å; D347-V358 PolarHBondContact OD1-N 3.22Å
348G87.9Confident89.2Confident60 Ų6062.7 Ų62.762%0.61935%0.351SS*.THydrogen-bonded Turntrans71.98-176.200000115.7F346 I356F346-G348 PolarHBondContact O-N 2.74Å; G348-I356 WeakPolarHBondContact CA-O 3.5Å; G348-I356 PolarHBondContact N-O 3.04Å
349K88.6Confident89.3Confident99 Ų9963.2 Ų63.243%0.4336%0.355SS..  trans-76.3164.8169.5-65.5-59.6-174.5-174.20111.4W345 F346 D347 P355 I356W345-K349 WeakPolarHBondContact O-CE 3.49Å; W345-K349 WeakPolarHBondContact O-CG 3.34Å; F346-K349 HydrophobicContact CD1-CG 4.45Å; F346-K349 WeakPolarHBondContact O-CB 3.32Å; F346-K349 PolarHBondContact O-N 3.13Å; D347-K349 VanDerWaalsContact C-N 3.26Å; D347-K349 PolarHBondContact O-N 3.11Å; K349-P355 CarbonylContact O-C 3.51Å; K349-P355 WeakPolarHBondContact O-CA 3.47Å; K349-I356 HydrophobicContact CB-CD1 4.46Å; K349-I356 HydrophobicContact CB-CG1 4.28Å; K349-I356 WeakPolarHBondContact O-CG1 3.45Å; K349-I356 PolarHBondContact O-N 2.9Å
350E88.5Confident89.3Confident142 Ų14265.8 Ų65.866%0.66437%0.366SS*.EExtended strand (participates in β ladder)trans-95.6129.9169.7-64.4-178.4137.700110.7N354E350-N354 CarbonylContact C-O 3.52Å; E350-N354 WeakPolarHBondContact CA-O 3.34Å
351F83.9Confident89Confident12 Ų1260.9 Ų60.95%0.05335%0.347CS..EExtended strand (participates in β ladder)trans-114.7119.5170.5-175.7-88.5000108.4L284 V288 Y296 G353 N354 I356L284-F351 HydrophobicContact CB-CD1 4.34Å; L284-F351 HydrophobicContact CD2-CB 4.26Å; L284-F351 HydrophobicContact CD2-CD1 3.57Å; L284-F351 HydrophobicContact CD2-CD2 4.07Å; L284-F351 HydrophobicContact CD2-CE1 3.84Å; L284-F351 HydrophobicContact CD2-CE2 4.31Å; L284-F351 HydrophobicContact CD2-CG 3.7Å; L284-F351 HydrophobicContact CD2-CZ 4.2Å; V288-F351 HydrophobicContact CB-CE1 4.15Å; V288-F351 HydrophobicContact CG2-CE1 3.72Å; V288-F351 HydrophobicContact CG2-CZ 4.03Å; Y296-F351 HydrophobicContact CD1-CD2 4.03Å; Y296-F351 HydrophobicContact CD1-CE2 4.34Å; Y296-F351 HydrophobicContact CD2-CD2 4.09Å; Y296-F351 HydrophobicContact CD2-CE2 4.24Å; Y296-F351 HydrophobicContact CE1-CD2 4.19Å; Y296-F351 HydrophobicContact CE2-CD2 4.25Å; Y296-F351 AromaticContact CG-CD2 3.97Å; Y296-F351 HydrophobicContact CG-CD2 3.97Å; Y296-F351 AromaticContact CG-CE2 3.97Å; Y296-F351 HydrophobicContact CG-CE2 3.97Å; F351-G353 PolarHBondContact O-N 2.77Å; F351-G353 VanDerWaalsContact O-N 3.12Å; F351-N354 PolarHBondContact N-O 3.04Å; F351-N354 PolarHBondContact O-N 2.76Å; F351-I356 HydrophobicContact CB-CD1 4.3Å; F351-I356 HydrophobicContact CB-CG1 4.28Å; F351-I356 HydrophobicContact CB-CG2 3.52Å; F351-I356 HydrophobicContact CG-CG2 4.44Å
352S81.3Confident88.4Confident100 Ų10064.1 Ų64.170%0.69936%0.362SS*.THydrogen-bonded Turntrans49.138.9-177.2-58.90000113.9N354S352-N354 PolarHBondContact O-ND2 3.48Å
353G82Confident87Confident61 Ų6171 Ų7163%0.62939%0.388SS*.THydrogen-bonded Turntrans799.8-179.500000115.9F351F351-G353 PolarHBondContact O-N 2.77Å; F351-G353 VanDerWaalsContact O-N 3.12Å
354N85.9Confident85.2Confident69 Ų6981.4 Ų81.437%0.36943%0.426SS..EExtended strand (participates in β ladder)trans-117134.2175.2-61.2-89.3000110G283 E350 F351 S352 I356G283-N354 WeakPolarHBondContact O-CB 3.4Å; E350-N354 CarbonylContact C-O 3.52Å; E350-N354 WeakPolarHBondContact CA-O 3.34Å; F351-N354 PolarHBondContact N-O 3.04Å; F351-N354 PolarHBondContact O-N 2.76Å; S352-N354 PolarHBondContact O-ND2 3.48Å; N354-I356 PolarHBondContact O-N 2.97Å
355P88.9Confident83.2Confident94 Ų9478.2 Ų78.261%0.6142%0.416SS*.EExtended strand (participates in β ladder)trans-68118.7175.727.5-33.5000110.4K349K349-P355 CarbonylContact O-C 3.51Å; K349-P355 WeakPolarHBondContact O-CA 3.47Å
356I93.3Very high81Confident4 Ų476.8 Ų76.82%0.02142%0.42CS..  trans-88.1144.4175.151.4161.5000111.7V281 Q282 L284 Y296 F297 F346 G348 K349 F351 N354 V358V281-I356 HydrophobicContact CG1-CB 4.23Å; V281-I356 HydrophobicContact CG1-CD1 4.46Å; V281-I356 HydrophobicContact CG1-CG2 4.24Å; Q282-I356 CarbonylContact O-C 3.54Å; Q282-I356 WeakPolarHBondContact O-CA 3.27Å; Q282-I356 WeakPolarHBondContact O-CB 3.28Å; Q282-I356 WeakPolarHBondContact O-CG2 3.34Å; L284-I356 HydrophobicContact CD2-CG2 3.92Å; L284-I356 HydrophobicContact CG-CG2 4.2Å; Y296-I356 HydrophobicContact CE1-CD1 3.95Å; F297-I356 HydrophobicContact CZ-CD1 4.35Å; F346-I356 HydrophobicContact CB-CD1 4.25Å; G348-I356 WeakPolarHBondContact CA-O 3.5Å; G348-I356 PolarHBondContact N-O 3.04Å; K349-I356 HydrophobicContact CB-CD1 4.46Å; K349-I356 HydrophobicContact CB-CG1 4.28Å; K349-I356 WeakPolarHBondContact O-CG1 3.45Å; K349-I356 PolarHBondContact O-N 2.9Å; F351-I356 HydrophobicContact CB-CD1 4.3Å; F351-I356 HydrophobicContact CB-CG1 4.28Å; F351-I356 HydrophobicContact CB-CG2 3.52Å; F351-I356 HydrophobicContact CG-CG2 4.44Å; N354-I356 PolarHBondContact O-N 2.97Å; I356-V358 HydrophobicContact CD1-CG2 4.01Å
357K92.4Very high78.8Confident121 Ų12185.8 Ų85.853%0.52646%0.46SS..EExtended strand (participates in β ladder)trans-109.8127.2167.4-169.8173.2-174.1159.80109.6V281 Q282 D347V281-K357 CarbonylContact C-O 3.55Å; V281-K357 WeakPolarHBondContact CA-O 3.37Å; Q282-K357 HydrophobicContact CB-CB 4.31Å; Q282-K357 PolarHBondContact N-O 2.71Å; Q282-K357 PolarHBondContact O-N 3.24Å; D347-K357 VanDerWaalsContact OD1-CA 3.23Å; D347-K357 WeakPolarHBondContact OD1-CA 3.4Å; D347-K357 VanDerWaalsContact OD1-CG 3.24Å; D347-K357 WeakPolarHBondContact OD1-CG 3.38Å
358V92.4Very high76.7Confident3 Ų390.2 Ų90.22%0.01848%0.483CS..EExtended strand (participates in β ladder)trans-116.3136.3-179.3-168.90000109.2I279 V281 F297 I343 F346 D347 I356I279-V358 HydrophobicContact CB-CG1 4.23Å; I279-V358 HydrophobicContact CD1-CG1 3.77Å; V281-V358 HydrophobicContact CG1-CG2 4.26Å; V281-V358 HydrophobicContact CG2-CG1 4.36Å; V281-V358 HydrophobicContact CG2-CG2 4.44Å; F297-V358 HydrophobicContact CE1-CG1 4.44Å; F297-V358 HydrophobicContact CE1-CG2 4.36Å; F297-V358 HydrophobicContact CZ-CG2 4.23Å; I343-V358 HydrophobicContact CB-CG1 4.36Å; I343-V358 HydrophobicContact CG1-CG1 3.88Å; F346-V358 HydrophobicContact CB-CG2 3.87Å; D347-V358 HydrophobicContact CB-CB 4.19Å; D347-V358 PolarHBondContact OD1-N 3.22Å; I356-V358 HydrophobicContact CD1-CG2 4.01Å
359S91Very high75Confident33 Ų3397.7 Ų97.723%0.23149%0.493CS..EExtended strand (participates in β ladder)trans-151160.8-174.955.40000110.5I279 F280 A361I279-S359 CarbonylContact C-O 3.55Å; I279-S359 VanDerWaalsContact CA-O 3.29Å; I279-S359 WeakPolarHBondContact CA-O 3.31Å; I279-S359 WeakPolarHBondContact CB-O 3.17Å; F280-S359 PolarHBondContact N-O 2.88Å; F280-S359 PolarHBondContact O-N 3.24Å; F280-S359 PolarHBondContact O-OG 2.88Å; F280-S359 VanDerWaalsContact O-OG 3.11Å; S359-A361 PolarHBondContact O-N 3.11Å
360F90.3Very high73.1Confident53 Ų5396.9 Ų96.923%0.23251%0.512CS..EExtended strand (participates in β ladder)trans-60.9128.2167.3-75.7-73.4000108.8N273 N276 K340 I343 T362N273-F360 HydrophobicContact CB-CB 4.03Å; N273-F360 HydrophobicContact CB-CD2 4.4Å; N273-F360 HydrophobicContact CB-CG 4.1Å; N273-F360 WeakPolarHBondContact O-CD1 3.31Å; N276-F360 HydrophobicContact CB-CD1 4.06Å; K340-F360 HydrophobicContact CB-CE1 4.39Å; K340-F360 HydrophobicContact CB-CZ 3.83Å; K340-F360 HydrophobicContact CG-CZ 3.95Å; I343-F360 HydrophobicContact CD1-CB 4.23Å; I343-F360 HydrophobicContact CD1-CD1 3.63Å; I343-F360 HydrophobicContact CD1-CD2 3.47Å; I343-F360 VanDerWaalsContact CD1-CD2 3.47Å; I343-F360 HydrophobicContact CD1-CE1 3.74Å; I343-F360 HydrophobicContact CD1-CE2 3.58Å; I343-F360 HydrophobicContact CD1-CG 3.5Å; I343-F360 VanDerWaalsContact CD1-CG 3.5Å; I343-F360 HydrophobicContact CD1-CZ 3.72Å; I343-F360 VanDerWaalsContact CD1-N 3.35Å; F360-T362 PolarHBondContact O-N 2.93Å
361A84.6Confident71Confident9 Ų993.6 Ų93.67%0.07452%0.517CS..  trans-63.3115.9171.600000107.6N276 T278 F280 T330 S359 R363N276-A361 PolarHBondContact ND2-O 3.05Å; T278-A361 HydrophobicContact CG2-CB 3.72Å; T278-A361 VanDerWaalsContact O-CB 3.28Å; T278-A361 WeakPolarHBondContact O-CB 3.16Å; T278-A361 PolarHBondContact O-N 2.97Å; F280-A361 HydrophobicContact CB-CB 4.05Å; T330-A361 HydrophobicContact CG2-CB 4.12Å; S359-A361 PolarHBondContact O-N 3.11Å; A361-R363 PolarHBondContact O-N 3.06Å
362T77.8Confident69.4Low111 Ų11196.7 Ų96.768%0.68155%0.552SS**  trans-65.690.3171.253.10000107.8F360 R364F360-T362 PolarHBondContact O-N 2.93Å; T362-R364 PolarHBondContact O-N 3.21Å
363R62.6Low68Low144 Ų144100.2 Ų100.254%0.54356%0.563SS.*  trans-52.8119.2173.463.5179.6-171.5-144.710.6106.7N276 A361 A365N276-R363 VanDerWaalsContact OD1-CD 3.24Å; N276-R363 WeakPolarHBondContact OD1-CD 3.36Å; N276-R363 PolarHBondContact OD1-NE 3.46Å; N276-R363 PolarHBondContact OD1-NH1 3.05Å; A361-R363 PolarHBondContact O-N 3.06Å; R363-A365 VanDerWaalsContact C-N 3.25Å; R363-A365 PolarHBondContact O-N 3.02Å
364R53.6Low66.8Low238 Ų238100 Ų10090%0.89856%0.561SS**  trans-60.998171.3-82-174.5172.5-173.7-1.5105.8T362 D366T362-R364 PolarHBondContact O-N 3.21Å; R364-D366 PolarHBondContact O-N 3.19Å
365A49.1Very low64.8Low51 Ų51108.6 Ų108.642%0.42159%0.588SS.*  trans-50.9129.8-172.200000109.4R363 F367R363-A365 VanDerWaalsContact C-N 3.25Å; R363-A365 PolarHBondContact O-N 3.02Å; A365-F367 HydrophobicContact CB-CD2 4.05Å; A365-F367 PolarHBondContact O-N 3.33Å
366D44.7Very low62.9Low127 Ų127107.9 Ų107.968%0.67960%0.598SS**  trans-72.150.1-172.2-79.9-76.6000113.3R364 N368 R369R364-D366 PolarHBondContact O-N 3.19Å; D366-N368 PolarHBondContact O-N 3.3Å; D366-R369 PolarHBondContact O-N 2.96Å
367F44Very low60.5Low194 Ų194111.4 Ų111.485%0.85164%0.635SS**THydrogen-bonded Turntrans-55.4-6171.2-101.5-82.3000114.1A365A365-F367 HydrophobicContact CB-CD2 4.05Å; A365-F367 PolarHBondContact O-N 3.33Å
368N47.6Very low58.2Low169 Ų169117 Ų11790%0.90465%0.653SS**THydrogen-bonded Turntrans-111.610.5173.4-89.4-50.8000114.4D366D366-N368 PolarHBondContact O-N 3.3Å
369R53.4Low55.7Low218 Ų218120.6 Ų120.682%0.82369%0.691SS**SBendtrans-143.553.2174.5-159.8172-74.9-167.8-1.8114.6D366D366-R369 PolarHBondContact O-N 2.96Å
370G47.6Very low53.5Low81 Ų81130.8 Ų130.884%0.83572%0.724SS**SBendtrans127.490.1162.900000114.2
371G44.6Very low51.1Low74 Ų74131.9 Ų131.976%0.76375%0.751SS**  trans-161.425.8-179.800000114.5N373G371-N373 VanDerWaalsContact C-N 3.32Å; G371-N373 PolarHBondContact O-N 3.22Å
372G49.8Very low48.8Very low76 Ų76135 Ų13578%0.78478%0.783SS**  trans-76.4-2.7-166.400000117.1
373N52.3Low47.6Very low174 Ų174135.4 Ų135.493%0.9379%0.788SS**SBendtrans-122.347.6-167.5-68.176.5000112.4G371G371-N373 VanDerWaalsContact C-N 3.32Å; G371-N373 PolarHBondContact O-N 3.22Å
374G56.2Low46.5Very low57 Ų57138 Ų13859%0.58881%0.809SS**SBendtrans-138.69.1-166.700000118.4
375R43.9Very low45.9Very low250 Ų250130 Ų13094%0.94380%0.799SS**  trans-157.8133.3168.6-96.5122.4-161.7-138.35.5112.3G377R375-G377 PolarHBondContact O-N 2.98Å; R375-G377 VanDerWaalsContact O-N 3.11Å
376G49.5Very low45.5Very low78 Ų78139.8 Ų139.880%0.80483%0.825SS**  trans-75.195.6177.700000112.8R378G376-R378 VanDerWaalsContact C-N 3.32Å; G376-R378 PolarHBondContact O-N 3.45Å
377G43.9Very low45.2Very low79 Ų79137.4 Ų137.481%0.81483%0.831SS**  trans-69.881.4170.200000112R375 G379R375-G377 PolarHBondContact O-N 2.98Å; R375-G377 VanDerWaalsContact O-N 3.11Å; G377-G379 PolarHBondContact O-N 3.45Å
378R43.1Very low45Very low239 Ų239131.8 Ų131.890%0.90283%0.828SS**  trans-6599.8171.2-73.6-177.8176.6171.6-1109.6G376 R380G376-R378 VanDerWaalsContact C-N 3.32Å; G376-R378 PolarHBondContact O-N 3.45Å; R378-R380 PolarHBondContact O-N 3.45Å
379G41Very low44.9Very low78 Ų78134.7 Ų134.780%0.80483%0.828SS**  trans-59.797173.500000111.2G377 G381G377-G379 PolarHBondContact O-N 3.45Å; G379-G381 PolarHBondContact O-N 3.43Å
380R43.5Very low44.2Very low246 Ų246127.8 Ų127.893%0.92882%0.824SS**  trans-71.993.8167.4-79.1-177.4169.6177.9-3.4108.4R378 G382R378-R380 PolarHBondContact O-N 3.45Å; R380-G382 PolarHBondContact O-N 3.16Å
381G39.3Very low43.9Very low77 Ų77127.9 Ų127.979%0.79483%0.825SS**PPolyproline II helixtrans-57.8119159.100000108.9G379G379-G381 PolarHBondContact O-N 3.43Å
382G37.5Very low43.7Very low73 Ų73128.5 Ų128.575%0.75383%0.832SS**PPolyproline II helixtrans-70.8150.2174.400000111.3R380R380-G382 PolarHBondContact O-N 3.16Å
383P51.6Low43.1Very low121 Ų121128.7 Ų128.779%0.78683%0.834SS**PPolyproline II helixtrans-86.5153.6-177.134.7-35.7000113.8
384M40.1Very low42.5Very low199 Ų199126.5 Ų126.598%0.9883%0.832SS**  trans76.8150.6165.4-60-171.2178.100119.2
385G41.1Very low41.6Very low68 Ų68127.7 Ų127.770%0.70185%0.845SS**  trans120.747.4-17300000112.3
386R40.4Very low41.3Very low257 Ų257119.9 Ų119.997%0.9784%0.841SS**  52.796.379.8-164.1-175.5-158-117.23.5113.5
387G38.5Very low40.9Very low77 Ų77120.3 Ų120.379%0.79485%0.846SS**  trans120.7124.7170.900000111.9
388G39.4Very low40.6Very low76 Ų76120.5 Ų120.578%0.78485%0.848SS**  trans151.760.8-175.500000114.2G390G388-G390 PolarHBondContact O-N 2.82Å
389Y45.4Very low40.7Very low230 Ų230121.6 Ų121.690%0.90285%0.852SS**  trans-77.7109.2167.429.5-93000109.3
390G39.5Very low40.6Very low73 Ų73121.9 Ų121.975%0.75386%0.855SS**  trans-133.5120.3167.100000107.8G388G388-G390 PolarHBondContact O-N 2.82Å
391G41.1Very low40.2Very low83 Ų83113.1 Ų113.186%0.85684%0.841SS**  cis89.192.617.500000108.8
392G40.3Very low40Very low88 Ų88119.3 Ų119.391%0.90785%0.847SS**  trans-77.1153.6-174.200000113.2
393G37.8Very low40.9Very low79 Ų79121.3 Ų121.381%0.81485%0.847SS**  trans-155.5137.1173.400000110
394S39.7Very low40.5Very low129 Ų129122 Ų12290%0.90285%0.854SS**  trans-103.7142-168.7-610000113.6
395G37.1Very low40.2Very low82 Ų82116.2 Ų116.285%0.84585%0.846SS**  trans78.6-176.2148.100000117.7
396G37.1Very low40Very low85 Ų85117 Ų11788%0.87685%0.854SS**  trans102.578.4177.500000114.6
397G41Very low40Very low87 Ų87108.7 Ų108.790%0.89785%0.848SS**  trans-86.6138.7165.200000111.3
398G38.9Very low40.1Very low83 Ų83108.8 Ų108.886%0.85685%0.849SS**  trans-131.8123.3174.800000111.3
399R43.6Very low40.2Very low262 Ų262109.1 Ų109.199%0.98985%0.853SS**  trans-108130.5176.8-72.5-179.9173.6177-2.4110.4
400G39.3Very low40.1Very low84 Ų84102 Ų10287%0.86685%0.85SS**  trans172.2146.5169.700000110.9
401G35.3Very low40.6Very low62 Ų62101.6 Ų101.664%0.63985%0.845SS**  cis-17732.11.100000116.6
402F35.5Very low41.4Very low207 Ų207106 Ų10691%0.90884%0.843SS**  trans66.7174.7176.5-43.1-77.2000114.6
403P55.5Low42.5Very low116 Ų116108.9 Ų108.975%0.75383%0.833SS**  cis-127.9158.2-7.537.8-21.7000116.5
404S42.8Very low44Very low134 Ų134113.6 Ų113.694%0.93783%0.826SS**  trans47.9119.2148.9-147.60000121.8
405G34.1Very low45.5Very low79 Ų79112.5 Ų112.581%0.81483%0.825SS**  trans171.8102.9168.200000109.5
406G37.5Very low47.5Very low85 Ų85111 Ų11188%0.87681%0.809SS**  trans-93.4151-161.800000116.1
407G39.7Very low50Low82 Ų82108.8 Ų108.885%0.84578%0.777SS**  trans102.8131.7149.800000118.1
408G41.1Very low52.3Low78 Ų78105.6 Ų105.680%0.80474%0.738SS**  trans87.691.6141.800000119G410G408-G410 PolarHBondContact O-N 3.44Å
409G42.7Very low54.7Low84 Ų84106.3 Ų106.387%0.86672%0.718SS**  trans40.964136.100000118.6G411G409-G411 VanDerWaalsContact C-N 3.31Å; G409-G411 PolarHBondContact O-N 3.31Å
410G41.5Very low56.9Low81 Ų8194.1 Ų94.184%0.83567%0.672SS**  trans-6679.9175.100000113.9G408G408-G410 PolarHBondContact O-N 3.44Å
411G50.7Low59.1Low63 Ų6393.7 Ų93.765%0.64965%0.654SS**PPolyproline II helixtrans-63130.6166.300000110.3G409 Q413G409-G411 VanDerWaalsContact C-N 3.31Å; G409-G411 PolarHBondContact O-N 3.31Å; G411-Q413 PolarHBondContact O-N 2.94Å
412Q58.8Low61.4Low177 Ų17793.7 Ų93.783%0.82764%0.639SS**PPolyproline II helixtrans-61.1124.8-174.9-62.9113-20.800111R414Q412-R414 PolarHBondContact O-N 3.25Å
413Q63.1Low63.6Low148 Ų14889.3 Ų89.369%0.69263%0.632SS**PPolyproline II helixtrans-60.4119.8173.7-54.6-177.520.500108.1G411 M428G411-Q413 PolarHBondContact O-N 2.94Å; Q413-M428 HydrophobicContact CB-CE 3.92Å; Q413-M428 HydrophobicContact CG-CE 3.77Å
414R68.7Low65.1Low178 Ų17889.8 Ų89.867%0.67263%0.633SS**PPolyproline II helixtrans-89.6147-177.8-84.2176.1-83.3-171.8-7.9110.6Q412 G416 D417Q412-R414 PolarHBondContact O-N 3.25Å; R414-G416 PolarHBondContact O-N 2.95Å; R414-D417 PolarHBondContact N-OD2 2.92Å; R414-D417 WeakPolarHBondContact O-CB 3.37Å; R414-D417 PolarHBondContact O-N 2.91Å
415A71.3Confident67.2Low106 Ų10684.5 Ų84.588%0.87660%0.596SS**THydrogen-bonded Turntrans-56.4123.6-178.700000110.9
416G78.4Confident69.6Low49 Ų4986.2 Ų86.251%0.50558%0.582SS.*THydrogen-bonded Turntrans96.5-13.9-17800000115.5R414 S431R414-G416 PolarHBondContact O-N 2.95Å; G416-S431 WeakPolarHBondContact O-CA 3.48Å; G416-S431 WeakPolarHBondContact O-CB 3.24Å
417D90.1Very high72.1Confident39 Ų3984 Ų8421%0.20955%0.55CS.*  trans-65.2143.9170-67.1-20.9000109.9R414 M428 N429 F430 S431R414-D417 PolarHBondContact N-OD2 2.92Å; R414-D417 WeakPolarHBondContact O-CB 3.37Å; R414-D417 PolarHBondContact O-N 2.91Å; D417-M428 HydrophobicContact CB-CE 3.96Å; D417-N429 CarbonylContact C-O 3.54Å; D417-N429 WeakPolarHBondContact CA-O 3.31Å; D417-N429 WeakPolarHBondContact CB-O 3.5Å; D417-F430 VanDerWaalsContact OD1-CA 3.31Å; D417-F430 WeakPolarHBondContact OD1-CA 3.48Å; D417-S431 PolarHBondContact OD1-N 2.89Å
418W88.8Confident74.4Confident20 Ų2083.4 Ų83.48%0.07653%0.527CS..EExtended strand (participates in β ladder)trans-134.5143.9-168.563.2-87.3000112.7N429 F430 R433 C436 K443W418-N429 HydrophobicContact CD2-CB 4.16Å; W418-N429 VanDerWaalsContact CE2-ND2 3.26Å; W418-N429 HydrophobicContact CZ2-CB 4.28Å; W418-N429 WeakPolarHBondContact CZ2-ND2 3.37Å; W418-N429 PolarHBondContact N-O 3.32Å; W418-N429 WeakPolarHBondContact O-CA 3.33Å; W418-N429 WeakPolarHBondContact O-CB 3.49Å; W418-N429 PolarHBondContact O-N 3.28Å; W418-F430 PolarHBondContact NE1-O 3.18Å; W418-R433 WeakPolarHBondContact CZ2-O 3.41Å; W418-R433 PolarHBondContact NE1-O 2.97Å; W418-C436 HydrophobicContact CH2-CB 4.15Å; W418-K443 HydrophobicContact CD2-CB 4.25Å; W418-K443 HydrophobicContact CD2-CD 4.49Å; W418-K443 HydrophobicContact CD2-CG 3.83Å; W418-K443 HydrophobicContact CE3-CG 4.35Å; W418-K443 HydrophobicContact CG-CD 4.43Å; W418-K443 HydrophobicContact CG-CG 4.1Å; W418-K443 HydrophobicContact CH2-CB 3.89Å; W418-K443 HydrophobicContact CZ2-CB 3.54Å; W418-K443 HydrophobicContact CZ2-CG 4Å; W418-K443 HydrophobicContact CZ3-CB 4.36Å
419K90.3Very high76.7Confident99 Ų9979.8 Ų79.843%0.4349%0.489SS..EExtended strand (participates in β ladder)trans-84139.1177.9-68.9-172.4171.6-165.50111.7E426 M428K419-E426 HydrophobicContact CD-CG 4.42Å; K419-E426 IonicContact NZ-OE1 2.7Å; K419-E426 PolarHBondContact NZ-OE1 3.16Å; K419-M428 HydrophobicContact CD-SD 4.5Å; K419-M428 HydrophobicContact CG-CG 4.48Å; K419-M428 HydrophobicContact CG-SD 3.66Å
420C89.4Confident78.9Confident6 Ų680.1 Ų80.14%0.04147%0.467CS..  trans-53.6128.1170.5172.20000110.3N422 C425 N427 C436 C439C420-N422 PolarHBondContact O-N 3.44Å; C420-N422 VanDerWaalsContact SG-CB 3.52Å; C420-N422 PolarHBondContact SG-N 2.82Å; C420-N422 VanDerWaalsContact SG-N 3.37Å; C420-C425 HydrophobicContact CB-CB 4.36Å; C420-N427 PolarHBondContact N-O 3.42Å; C420-C436 HydrophobicContact CB-CB 4.17Å; C420-C439 HydrophobicContact CB-CB 4.49Å; C420-C439 WeakPolarHBondContact CB-SG 3.17Å; C420-C439 WeakPolarHBondContact SG-CB 3Å; C420-C439 CovalentContact SG-SG 2.05Å; C420-C439 PolarHBondContact SG-SG 2.84Å
421P85.5Confident81.1Confident75 Ų7578.6 Ų78.649%0.48744%0.443SS..SBendtrans-72.9-7.6-179.529.7-35.9000113.6P423 A441P421-P423 WeakPolarHBondContact O-CD 3.47Å; P421-A441 HydrophobicContact CG-CB 4.25Å
422N83.2Confident82.8Confident61 Ų6183.8 Ų83.833%0.32644%0.443SS..  trans-80.2117.5172.5-176.5-10000110.2C420 T424 C425 E426 C439C420-N422 PolarHBondContact O-N 3.44Å; C420-N422 VanDerWaalsContact SG-CB 3.52Å; C420-N422 PolarHBondContact SG-N 2.82Å; C420-N422 VanDerWaalsContact SG-N 3.37Å; N422-T424 PolarHBondContact ND2-OG1 3.38Å; N422-T424 PolarHBondContact O-N 2.72Å; N422-T424 VanDerWaalsContact O-N 3.17Å; N422-T424 PolarHBondContact OD1-N 2.99Å; N422-T424 PolarHBondContact OD1-OG1 2.84Å; N422-C425 PolarHBondContact O-N 3.46Å; N422-E426 PolarHBondContact O-N 3.23Å; N422-E426 VanDerWaalsContact O-N 3.13Å; N422-C439 HydrophobicContact CB-CB 4.47Å
423P83.3Confident84.1Confident116 Ų11679.2 Ų79.275%0.75342%0.418SS*.THydrogen-bonded Turntrans-65.9-15.9-177.728.1-36.5000114P421 C425P421-P423 WeakPolarHBondContact O-CD 3.47Å; P423-C425 VanDerWaalsContact C-N 3.26Å; P423-C425 PolarHBondContact O-N 2.77Å
424T87Confident85.4Confident125 Ų12578.2 Ų78.277%0.76742%0.418SS*.THydrogen-bonded Turntrans-82.7-1.6174.168.70000113.7N422N422-T424 PolarHBondContact ND2-OG1 3.38Å; N422-T424 PolarHBondContact O-N 2.72Å; N422-T424 VanDerWaalsContact O-N 3.17Å; N422-T424 PolarHBondContact OD1-N 2.99Å; N422-T424 PolarHBondContact OD1-OG1 2.84Å
425C87.3Confident86.5Confident23 Ų2375.3 Ų75.316%0.15541%0.412CS..THydrogen-bonded Turntrans-123.3-47-179.5172.40000113.4C420 N422 P423 N427 Q438 C439C420-C425 HydrophobicContact CB-CB 4.36Å; N422-C425 PolarHBondContact O-N 3.46Å; P423-C425 VanDerWaalsContact C-N 3.26Å; P423-C425 PolarHBondContact O-N 2.77Å; C425-N427 PolarHBondContact O-N 2.96Å; C425-N427 VanDerWaalsContact SG-CB 3.56Å; C425-Q438 PolarHBondContact SG-OE1 3.27Å; C425-C439 HydrophobicContact CB-CB 3.62Å; C425-C439 VanDerWaalsContact SG-CB 3.55Å
426E83.1Confident87.5Confident115 Ų11570.3 Ų70.354%0.53737%0.371SS..  trans49.93.5-178.4-138.1-155.3133.500117.6K419 N422 M428K419-E426 HydrophobicContact CD-CG 4.42Å; K419-E426 IonicContact NZ-OE1 2.7Å; K419-E426 PolarHBondContact NZ-OE1 3.16Å; N422-E426 PolarHBondContact O-N 3.23Å; N422-E426 VanDerWaalsContact O-N 3.13Å; E426-M428 PolarHBondContact O-N 2.81Å
427N89.6Confident88.2Confident38 Ų3870.9 Ų70.920%0.20336%0.362CS..  trans-58.4130.7-168.1170106.6000112.5C420 C425 N429 N437C420-N427 PolarHBondContact N-O 3.42Å; C425-N427 PolarHBondContact O-N 2.96Å; C425-N427 VanDerWaalsContact SG-CB 3.56Å; N427-N429 PolarHBondContact O-N 3.42Å; N427-N437 PolarHBondContact ND2-ND2 3.22Å; N427-N437 PolarHBondContact ND2-OD1 2.93Å; N427-N437 PolarHBondContact OD1-ND2 3.21Å; N427-N437 PolarHBondContact OD1-OD1 2.76Å
428M89.6Confident88.1Confident71 Ų7174.9 Ų74.935%0.3538%0.379SS..EExtended strand (participates in β ladder)trans-63.8111.1165.3-76.8-70.1-60.500111.7Q413 D417 K419 E426Q413-M428 HydrophobicContact CB-CE 3.92Å; Q413-M428 HydrophobicContact CG-CE 3.77Å; D417-M428 HydrophobicContact CB-CE 3.96Å; K419-M428 HydrophobicContact CD-SD 4.5Å; K419-M428 HydrophobicContact CG-CG 4.48Å; K419-M428 HydrophobicContact CG-SD 3.66Å; E426-M428 PolarHBondContact O-N 2.81Å
429N87.9Confident88.2Confident1 Ų175.6 Ų75.61%0.00539%0.387CS..EExtended strand (participates in β ladder)trans-110.9150.9-178-165.833.4000111.7D417 W418 N427 R433 E435 C436D417-N429 CarbonylContact C-O 3.54Å; D417-N429 WeakPolarHBondContact CA-O 3.31Å; D417-N429 WeakPolarHBondContact CB-O 3.5Å; W418-N429 HydrophobicContact CD2-CB 4.16Å; W418-N429 VanDerWaalsContact CE2-ND2 3.26Å; W418-N429 HydrophobicContact CZ2-CB 4.28Å; W418-N429 WeakPolarHBondContact CZ2-ND2 3.37Å; W418-N429 PolarHBondContact N-O 3.32Å; W418-N429 WeakPolarHBondContact O-CA 3.33Å; W418-N429 WeakPolarHBondContact O-CB 3.49Å; W418-N429 PolarHBondContact O-N 3.28Å; N427-N429 PolarHBondContact O-N 3.42Å; N429-R433 VanDerWaalsContact ND2-CB 3.31Å; N429-R433 WeakPolarHBondContact ND2-CB 3.48Å; N429-R433 WeakPolarHBondContact OD1-CD 3.23Å; N429-E435 PolarHBondContact ND2-O 3.2Å; N429-C436 WeakPolarHBondContact ND2-CA 3.26Å
430F89.9Confident88.2Confident92 Ų9277 Ų7740%0.40439%0.393SS..  trans-73145.4-174.5-62.3-60000113.1D417 W418 W432 R433D417-F430 VanDerWaalsContact OD1-CA 3.31Å; D417-F430 WeakPolarHBondContact OD1-CA 3.48Å; W418-F430 PolarHBondContact NE1-O 3.18Å; F430-W432 HydrophobicContact CB-CG 4.39Å; F430-W432 VanDerWaalsContact CB-NE1 3.25Å; F430-W432 HydrophobicContact CD2-CZ2 4.18Å; F430-W432 AromaticContact CG-NE1 3.79Å; F430-W432 PolarHBondContact O-N 2.61Å; F430-R433 WeakPolarHBondContact O-CB 3.48Å; F430-R433 PolarHBondContact O-N 3.36Å
431S87.7Confident88.2Confident49 Ų4977.8 Ų77.834%0.34340%0.4SS..THydrogen-bonded Turntrans-47.6-38.5-177.263.80000116.2G416 D417 R433 K443G416-S431 WeakPolarHBondContact O-CA 3.48Å; G416-S431 WeakPolarHBondContact O-CB 3.24Å; D417-S431 PolarHBondContact OD1-N 2.89Å; S431-R433 VanDerWaalsContact C-N 3.31Å; S431-R433 PolarHBondContact O-N 3.43Å; S431-K443 PolarHBondContact O-NZ 3.1Å
432W85.9Confident88.4Confident172 Ų17278.6 Ų78.665%0.65241%0.405SS*.THydrogen-bonded Turntrans-77.1-6.3-178.460.9-94.8000114.9F430F430-W432 HydrophobicContact CB-CG 4.39Å; F430-W432 VanDerWaalsContact CB-NE1 3.25Å; F430-W432 HydrophobicContact CD2-CZ2 4.18Å; F430-W432 AromaticContact CG-NE1 3.79Å; F430-W432 PolarHBondContact O-N 2.61Å
433R86.5Confident88.6Confident81 Ų8179.3 Ų79.331%0.30641%0.405SS..  trans-94.5134.7178.7-77.6-174.3151.3142.6-1.4111.7W418 N429 F430 S431W418-R433 WeakPolarHBondContact CZ2-O 3.41Å; W418-R433 PolarHBondContact NE1-O 2.97Å; N429-R433 VanDerWaalsContact ND2-CB 3.31Å; N429-R433 WeakPolarHBondContact ND2-CB 3.48Å; N429-R433 WeakPolarHBondContact OD1-CD 3.23Å; F430-R433 WeakPolarHBondContact O-CB 3.48Å; F430-R433 PolarHBondContact O-N 3.36Å; S431-R433 VanDerWaalsContact C-N 3.31Å; S431-R433 PolarHBondContact O-N 3.43Å
434N89.8Confident88.6Confident127 Ų12777 Ų7768%0.67939%0.39SS*.SBendtrans-91.7-9.9173.8-59.1-13.5000112.8P442 K443N434-P442 CarbonylContact O-C 3.56Å; N434-P442 WeakPolarHBondContact O-CA 3.42Å; N434-K443 WeakPolarHBondContact O-CB 3.49Å; N434-K443 PolarHBondContact O-N 3.47Å
435E92.4Very high88Confident117 Ų11778.2 Ų78.255%0.54739%0.392SS..BIsolated β-bridgetrans-132.5147.7176.8-67.4170.2-15900109.8N429N429-E435 PolarHBondContact ND2-O 3.2Å
436C93.1Very high86.6Confident1 Ų179.4 Ų79.41%0.00741%0.408CS..  trans-63.8138.2173.1-176.70000112.1W418 C420 N429 Q438 C439 K440 A441W418-C436 HydrophobicContact CH2-CB 4.15Å; C420-C436 HydrophobicContact CB-CB 4.17Å; N429-C436 WeakPolarHBondContact ND2-CA 3.26Å; C436-Q438 VanDerWaalsContact C-N 3.25Å; C436-Q438 PolarHBondContact O-N 2.89Å; C436-Q438 PolarHBondContact SG-N 2.7Å; C436-Q438 VanDerWaalsContact SG-N 3.42Å; C436-C439 HydrophobicContact CB-CB 4.37Å; C436-C439 WeakPolarHBondContact CB-SG 3.3Å; C436-C439 PolarHBondContact SG-N 2.98Å; C436-C439 PolarHBondContact SG-SG 3.35Å; C436-K440 WeakPolarHBondContact O-CD 3.36Å; C436-K440 PolarHBondContact O-N 2.71Å; C436-A441 PolarHBondContact N-O 3.14Å
437N91.9Very high85Confident60 Ų6081 Ų8132%0.32143%0.429SS..THydrogen-bonded Turntrans-52.5-41.9172.262.5-17.1000112.8N427 K440N427-N437 PolarHBondContact ND2-ND2 3.22Å; N427-N437 PolarHBondContact ND2-OD1 2.93Å; N427-N437 PolarHBondContact OD1-ND2 3.21Å; N427-N437 PolarHBondContact OD1-OD1 2.76Å; N437-K440 PolarHBondContact O-NZ 3.18Å
438Q88.5Confident83.1Confident124 Ų12483 Ų8358%0.57946%0.458SS*.THydrogen-bonded Turntrans-100.6-63.9-170.6-175.3-177.111.700111.8C425 C436 K440C425-Q438 PolarHBondContact SG-OE1 3.27Å; C436-Q438 VanDerWaalsContact C-N 3.25Å; C436-Q438 PolarHBondContact O-N 2.89Å; C436-Q438 PolarHBondContact SG-N 2.7Å; C436-Q438 VanDerWaalsContact SG-N 3.42Å; Q438-K440 VanDerWaalsContact C-N 3.3Å; Q438-K440 PolarHBondContact O-N 2.81Å
439C91.1Very high81Confident34 Ų3483.1 Ų83.123%0.2348%0.477CS..THydrogen-bonded Turntrans-76.3-9.6-174.268.70000115C420 N422 C425 C436 A441C420-C439 HydrophobicContact CB-CB 4.49Å; C420-C439 WeakPolarHBondContact CB-SG 3.17Å; C420-C439 WeakPolarHBondContact SG-CB 3Å; C420-C439 CovalentContact SG-SG 2.05Å; C420-C439 PolarHBondContact SG-SG 2.84Å; N422-C439 HydrophobicContact CB-CB 4.47Å; C425-C439 HydrophobicContact CB-CB 3.62Å; C425-C439 VanDerWaalsContact SG-CB 3.55Å; C436-C439 HydrophobicContact CB-CB 4.37Å; C436-C439 WeakPolarHBondContact CB-SG 3.3Å; C436-C439 PolarHBondContact SG-N 2.98Å; C436-C439 PolarHBondContact SG-SG 3.35Å; C439-A441 PolarHBondContact O-N 3.13Å; C439-A441 WeakPolarHBondContact SG-CB 3.35Å
440K90.3Very high78.5Confident130 Ų13086.1 Ų86.157%0.56551%0.509SS*.  trans53.9-3.8-169.5-54.9-50.1-176.4-160.10117.1C436 N437 Q438C436-K440 WeakPolarHBondContact O-CD 3.36Å; C436-K440 PolarHBondContact O-N 2.71Å; N437-K440 PolarHBondContact O-NZ 3.18Å; Q438-K440 VanDerWaalsContact C-N 3.3Å; Q438-K440 PolarHBondContact O-N 2.81Å
441A88.8Confident76.5Confident22 Ų2287.9 Ų87.918%0.18253%0.529CS..PPolyproline II helixtrans-54143.5173.800000110.8P421 C436 C439P421-A441 HydrophobicContact CG-CB 4.25Å; C436-A441 PolarHBondContact N-O 3.14Å; C439-A441 PolarHBondContact O-N 3.13Å; C439-A441 WeakPolarHBondContact SG-CB 3.35Å
442P89.3Confident74.6Confident92 Ų9289.6 Ų89.660%0.59755%0.554SS**BIsolated β-bridgetrans-63.1158.5178.927.6-35.6000111.3N434N434-P442 CarbonylContact O-C 3.56Å; N434-P442 WeakPolarHBondContact O-CA 3.42Å
443K87.8Confident72.2Confident76 Ų7685.2 Ų85.233%0.3356%0.563SS.*PPolyproline II helixtrans-60.4126.3166.3-173.9173.2-173.4177.40108.4W418 S431 N434 D445W418-K443 HydrophobicContact CD2-CB 4.25Å; W418-K443 HydrophobicContact CD2-CD 4.49Å; W418-K443 HydrophobicContact CD2-CG 3.83Å; W418-K443 HydrophobicContact CE3-CG 4.35Å; W418-K443 HydrophobicContact CG-CD 4.43Å; W418-K443 HydrophobicContact CG-CG 4.1Å; W418-K443 HydrophobicContact CH2-CB 3.89Å; W418-K443 HydrophobicContact CZ2-CB 3.54Å; W418-K443 HydrophobicContact CZ2-CG 4Å; W418-K443 HydrophobicContact CZ3-CB 4.36Å; S431-K443 PolarHBondContact O-NZ 3.1Å; N434-K443 WeakPolarHBondContact O-CB 3.49Å; N434-K443 PolarHBondContact O-N 3.47Å; K443-D445 PolarHBondContact O-N 3.04Å
444P82.6Confident70.2Confident67 Ų6785.9 Ų85.944%0.43558%0.58SS.*PPolyproline II helixtrans-67.4134.9174.628-32.6000109.3G446P444-G446 PolarHBondContact O-N 2.93Å
445D74.2Confident67.9Low151 Ų15188 Ų8881%0.80759%0.586SS**  trans-70.871.9177.8-66.4-72.2000111.7K443K443-D445 PolarHBondContact O-N 3.04Å
446G58.4Low65.5Low48 Ų4891.7 Ų91.750%0.49561%0.605SS.*  trans-67.5151.6168.100000111.3P444 G448P444-G446 PolarHBondContact O-N 2.93Å; G446-G448 VanDerWaalsContact C-N 3.31Å; G446-G448 PolarHBondContact O-N 2.9Å
447P49.2Very low62.9Low149 Ų14995.3 Ų95.397%0.96864%0.643SS**SBendtrans-71.679.1-17329.9-36.6000112.3
448G49.6Very low60.2Low80 Ų8095.3 Ų95.383%0.82566%0.657SS**SBendtrans171.348.5-174.800000116.1G446G446-G448 VanDerWaalsContact C-N 3.31Å; G446-G448 PolarHBondContact O-N 2.9Å
449G47.1Very low58.1Low72 Ų7296.5 Ų96.574%0.74267%0.667SS**  trans13882.316700000114.8
450G34.3Very low55.6Low65 Ų65105.7 Ų105.767%0.6770%0.699SS**PPolyproline II helixtrans-69.5166.8168.700000113.1
451P47.9Very low53.2Low128 Ų128102.9 Ų102.983%0.83171%0.707SS**PPolyproline II helixtrans-69.3166.9-177.629.6-35.5000113.2
452G47.8Very low50.8Low85 Ų85109.5 Ų109.588%0.87674%0.739SS**PPolyproline II helixtrans-62.2133.6-166.700000115.3
453G35.3Very low48.6Very low81 Ų81109.8 Ų109.884%0.83574%0.735SS**  trans-115.313316700000110.6
454S44.5Very low46.4Very low94 Ų94118 Ų11866%0.65776%0.764SS**  trans-107.1144.8-177.6-580000111.8
455H41.4Very low44.5Very low173 Ų173125.2 Ų125.280%0.80178%0.783SS**  trans77.5165.1165.3-39-65.6000118.6
456M42.1Very low42.6Very low193 Ų193121.5 Ų121.595%0.95178%0.781SS**  trans72.7153.1175.2-54.1-54-178.700118
457G38.9Very low41.5Very low78 Ų78131.3 Ų131.380%0.80480%0.803SS**  trans-156.3-179-179.500000111.7
458G35Very low40.8Very low60 Ų60128.3 Ų128.362%0.61980%0.799SS**  trans105.6112.5-168.300000110
459N44.3Very low40.2Very low148 Ų148127.9 Ų127.979%0.79179%0.794SS**  88.578.954.3-176.259.8000114.1
460Y39.4Very low39.9Very low227 Ų227135.1 Ų135.189%0.8980%0.801SS**  trans-149.1120.6155.2-40.1-83.3000103.6
461G38.6Very low40.3Very low71 Ų71139.7 Ų139.773%0.73281%0.81SS**  121.998.364.900000106.1
462D40.2Very low40Very low161 Ų161145.3 Ų145.386%0.86182%0.815SS**  82.9-177.591.6-144.3-84000113.7
463D41.2Very low39.4Very low98 Ų98144.5 Ų144.552%0.52481%0.807SS.*  trans60.863.7179-90.8-49.1000118.5R465D463-R465 IonicContact OD1-CZ 2.69Å; D463-R465 IonicContact OD1-NE 2.64Å; D463-R465 PolarHBondContact OD1-NE 3.34Å; D463-R465 IonicContact OD1-NH2 2.63Å; D463-R465 PolarHBondContact OD1-NH2 2.63Å; D463-R465 IonicContact OD2-NH2 2.77Å; D463-R465 PolarHBondContact OD2-NH2 3.36Å
464R42.3Very low39.3Very low249 Ų249143.7 Ų143.794%0.9480%0.798SS**  trans-132.780.9138.6-76.5-156.6-175.8-162.13.6112.9
465R42.2Very low39Very low218 Ų218150.1 Ų150.182%0.82381%0.81SS**  trans-54.2139.2161.1-48.4165.8-155-171.12.3108.8D463D463-R465 IonicContact OD1-CZ 2.69Å; D463-R465 IonicContact OD1-NE 2.64Å; D463-R465 PolarHBondContact OD1-NE 3.34Å; D463-R465 IonicContact OD1-NH2 2.63Å; D463-R465 PolarHBondContact OD1-NH2 2.63Å; D463-R465 IonicContact OD2-NH2 2.77Å; D463-R465 PolarHBondContact OD2-NH2 3.36Å
466G34.6Very low38.8Very low74 Ų74154 Ų15476%0.76382%0.817SS**  cis150.5122.2-5.100000110.2
467R36.7Very low38.4Very low253 Ų253148 Ų14896%0.95581%0.806SS**  trans-160.392.9176.7-159.7-179.6-161.8-1504.2115.2
468G34Very low38.2Very low86 Ų86156.3 Ų156.389%0.88781%0.813SS**  trans72.4142162.500000116.8
469G36.3Very low38.1Very low71 Ų71157.1 Ų157.173%0.73282%0.82SS**  cis130.177-5.600000113.8
470Y40.8Very low37.6Very low224 Ų224153.7 Ų153.788%0.87882%0.82SS**  trans-159.5121.9151.648.2-95.4000111.6
471D42.7Very low37.6Very low162 Ų162150.2 Ų150.287%0.86682%0.817SS**  trans-83.5129.3174.1-66.1-99.4000112.1
472R41.9Very low37.6Very low246 Ų246158.8 Ų158.893%0.92883%0.827SS**  trans-154.3111.1145.8-165.5156.1-73.1-168.7-4.2109.5
473G35.1Very low37.5Very low68 Ų68154.3 Ų154.370%0.70182%0.819SS**  trans-98.6-179.9-166.400000116
474G32.8Very low37.2Very low64 Ų64153.4 Ų153.466%0.6683%0.833SS**  trans92.2152.1161.300000115.8
475Y38.1Very low36.8Very low229 Ų229151.5 Ų151.590%0.89883%0.832SS**  cis-145170.82.7-73.9-85.8000111.9
476R38.4Very low36.7Very low253 Ų253153.1 Ų153.196%0.95584%0.838SS**  trans-64147.8178.5-55.4167.4178.8159.9-3.2112.1
477G32.3Very low36.7Very low69 Ų69153.4 Ų153.471%0.71184%0.841SS**  trans168.6117.4155.400000118.1
478R36.1Very low36.9Very low252 Ų252145.1 Ų145.195%0.95183%0.834SS**  29.4109124.2-154.9-167.2-54.7-120.94.8115
479G31.8Very low36.9Very low76 Ų76152.9 Ų152.978%0.78484%0.837SS**  cis84.7110.347.800000109.9
480G33.3Very low36.8Very low76 Ų76153.3 Ų153.378%0.78484%0.841SS**  trans166.5126.8179.900000115
481D41.2Very low36.5Very low155 Ų155146.6 Ų146.683%0.82984%0.84SS**  trans-74.2147.9-176-51.3-108.8000114.8
482R37.4Very low36.1Very low251 Ų251142.4 Ų142.495%0.94784%0.835SS**  trans169150.3140.9-90152.5-160-165.56.7108.6
483G38.2Very low36.1Very low67 Ų67138.4 Ų138.469%0.69183%0.832SS**  cis114.277.41400000110.1
484G35.5Very low36.3Very low79 Ų79146.9 Ų146.981%0.81484%0.843SS**  trans-127.3139.1-176.400000112.1
485F34.2Very low36.5Very low208 Ų208147.6 Ų147.691%0.91285%0.85SS**  trans-97.6162.9-161.1-73.9-101.9000114.7
486R40.2Very low36.3Very low252 Ų252140.4 Ų140.495%0.95185%0.846SS**  trans-67.5140.5170.9-67.2177.8175.2177.8-1.3111.3
487G32.8Very low36.5Very low80 Ų80138.8 Ų138.883%0.82585%0.846SS**  trans-111145.1150.200000109.2
488G41.1Very low36.7Very low79 Ų79138.7 Ų138.781%0.81485%0.845SS**  trans-132.6145.8-17000000115.6
489R35Very low37.3Very low250 Ų250133 Ų13394%0.94384%0.841SS**  trans-142.5137.4154.1-82.8-175.5173.4-176.3-3.3104.4
490G33Very low37.8Very low79 Ų79133.1 Ų133.181%0.81484%0.842SS**  cis86.8109.826.900000108.6
491G34.6Very low38.2Very low83 Ų83138.8 Ų138.886%0.85685%0.845SS**  cis-169.9-167.5-3.600000108.1
492G35.4Very low38.5Very low75 Ų75140.3 Ų140.377%0.77385%0.85SS**  trans144.174.4169.100000116.2
493D41.6Very low38.8Very low161 Ų161135.1 Ų135.186%0.86184%0.841SS**  trans-70130.2170.9-54.1-100.6000111.8
494R38.9Very low39.4Very low247 Ų247135.9 Ų135.993%0.93284%0.835SS**  trans-141.2104.5152.9-74.4-164.4178.7-178.20.3109
495G37.3Very low40Very low79 Ų79142.7 Ų142.781%0.81484%0.837SS**  trans-75.5163.917400000112.5
496G34.6Very low40.9Very low78 Ų78135.3 Ų135.380%0.80482%0.819SS**  trans-163.282.6177.300000110.6
497F42.5Very low41.1Very low218 Ų218129.3 Ų129.396%0.95680%0.802SS**  trans-77.7137.9170.9-69.5-93.7000109.5
498G37.1Very low41.7Very low67 Ų67133.4 Ų133.469%0.69180%0.799SS**  trans-131140.9173.500000110.3
499P48.5Very low42Very low132 Ų132140 Ų14086%0.85780%0.799SS**  trans-71.4150.7-174.529.2-35000112.6
500G40.6Very low42.9Very low79 Ų79134.9 Ų134.981%0.81479%0.786SS**  trans-67.8156178.800000113.2
501K42.2Very low43.7Very low196 Ų196137.8 Ų137.885%0.85278%0.783SS**  trans-104.8134.7171.3-60.7-177.7-179.3-175.20108.4
502M48.5Very low44.5Very low187 Ų187145.2 Ų145.292%0.92179%0.785SS**  trans-83.4119.6174.2-69.3175169.400109.4S504M502-S504 PolarHBondContact O-N 2.75Å
503D43.4Very low45.3Very low142 Ų142151.8 Ų151.876%0.75979%0.787SS**  trans-87.4100.2172.5-77.5-48000109.9R505D503-R505 PolarHBondContact O-N 3.06Å
504S50.1Low46.2Very low82 Ų82153.7 Ų153.757%0.57379%0.79SS**  trans-70.141.9177.4-53.50000114.3M502M502-S504 PolarHBondContact O-N 2.75Å
505R49.3Very low47.5Very low223 Ų223152.2 Ų152.284%0.84279%0.785SS**  trans-90.40.8-177.2-119.1174.6-178.11641.5114D503D503-R505 PolarHBondContact O-N 3.06Å
506G51.3Low49.1Very low53 Ų53153.7 Ų153.755%0.54678%0.78SS.*SBendtrans-91.8-28.9-178.500000115.6
507E44.6Very low50.2Low125 Ų125162.8 Ų162.858%0.58479%0.792SS**SBendtrans-82.7-51.6-168.5-68.7166.3123.700112.5R509 Q510E507-R509 PolarHBondContact O-N 2.7Å; E507-Q510 PolarHBondContact O-N 3.12Å
508H45.2Very low50.6Low166 Ų166160.1 Ų160.177%0.76978%0.784SS**THydrogen-bonded Turntrans-62.617.2-178.7-64.999.9000116.3
509R47.9Very low51.3Low217 Ų217164.9 Ų164.982%0.81979%0.789SS**THydrogen-bonded Turntrans-1180174.5-144.7177.4-167.6172.55.2113.4E507E507-R509 PolarHBondContact O-N 2.7Å
510Q53.5Low51.4Low144 Ų144166.8 Ų166.867%0.67379%0.785SS**SBendtrans-90.1-37.8-179.6-58.1-17041.700111.6E507 R512E507-Q510 PolarHBondContact O-N 3.12Å; Q510-R512 PolarHBondContact O-N 3.47Å; Q510-R512 VanDerWaalsContact O-N 3.12Å
511D50.8Low52.1Low140 Ų140171.9 Ų171.975%0.74978%0.783SS**THydrogen-bonded Turntrans-73.9-2.4-173.2-42-74.3000115.4
512R50.9Low52.7Low239 Ų239170.4 Ų170.490%0.90278%0.779SS**THydrogen-bonded Turntrans-112.843.8179.2-151.1-173.9-67.5-152.5-0.4112.8Q510Q510-R512 PolarHBondContact O-N 3.47Å; Q510-R512 VanDerWaalsContact O-N 3.12Å
513R52.9Low52.9Low213 Ų213169.3 Ų169.380%0.80477%0.77SS**SBendtrans-129.7122.1163.6-76.8-177170-176.9-3.2109
514E60.6Low53.6Low200 Ų200171.3 Ų171.394%0.93577%0.77SS**  trans-61.7134.9170.5-65.3167.9150.600109.5
515R65.8Low53.9Low216 Ų216178.2 Ų178.282%0.81579%0.786SS**  trans-117128.5173-90.3-180152.5-169.4-5.9108.2Y517R515-Y517 VanDerWaalsContact C-N 3.3Å; R515-Y517 PolarHBondContact O-N 3.29Å
516P70.4Confident54.3Low111 Ų111174.4 Ų174.472%0.72178%0.781SS**  trans-93.252.4177.438-35.4000111.7
517Y57.3Low54.6Low269 Ų269185.5 Ų185.5100%1.05580%0.802SS**  trans-145.60171.5-36.1-78.3000109.1R515R515-Y517 VanDerWaalsContact C-N 3.3Å; R515-Y517 PolarHBondContact O-N 3.29Å

Retrieved 517 of 517 residues in 144 ms (Link to these results)