A0A096NWA2_PAPAN Loading...

Zinc finger protein 384

Transcription factor that binds the consensus DNA sequence [GC]AAAAA. Seems to bind and regulate the promoters of MMP1, MMP3, MMP7 and COL1A1.

AlphaFold DB , UniProt , Accession A0A096NWA2, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF384, Length 579 aa.

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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M37Very low29.7Very low243 Ų243154.9 Ų154.9100%1.19778%0.781SS**  0129.30-76.3160.6158.900106.9
2E27.2Very low29.3Very low196 Ų196158.3 Ų158.392%0.91679%0.787SS**  trans-137.7131.4169.1-77.5-175.399.400108.4S4E2-S4 PolarHBondContact O-N 3.48Å
3E28Very low29.4Very low165 Ų165161.2 Ų161.277%0.77178%0.783SS**  trans-87.797.6-171.1-64.2-172.5100.600110.6H5E3-H5 PolarHBondContact O-CD2 3.27Å; E3-H5 PolarHBondContact O-N 3.2Å
4S28.3Very low29.2Very low109 Ų109157.3 Ų157.376%0.76278%0.777SS**  trans-70.482171.568.60000110.2E2 F6E2-S4 PolarHBondContact O-N 3.48Å; S4-F6 PolarHBondContact O-N 3.08Å
5H31.5Very low29.1Very low163 Ų163154.8 Ų154.876%0.75578%0.781SS**  trans-63.277.5174-79.9-93.1000111.2E3E3-H5 PolarHBondContact O-CD2 3.27Å; E3-H5 PolarHBondContact O-N 3.2Å
6F26.4Very low29.1Very low178 Ų178153.8 Ų153.878%0.78178%0.777SS**  trans-90.5105.3169.2-152.2-87.6000109.7S4 S8S4-F6 PolarHBondContact O-N 3.08Å; F6-S8 PolarHBondContact O-N 3.44Å; F6-S8 VanDerWaalsContact O-N 3.1Å; F6-S8 PolarHBondContact O-OG 3.39Å
7N25.8Very low29.1Very low126 Ų126151.1 Ų151.167%0.67477%0.773SS**  trans-49.5117.7-179.5-172.2-16.3000110.1N9N7-N9 WeakPolarHBondContact OD1-CB 3.47Å; N7-N9 PolarHBondContact OD1-N 3.09Å; N7-N9 VanDerWaalsContact OD1-N 3.12Å
8S29.6Very low29.3Very low87 Ų87150.3 Ų150.361%0.60878%0.776SS**  trans-113.624.9-173-59.90000111.7F6F6-S8 PolarHBondContact O-N 3.44Å; F6-S8 VanDerWaalsContact O-N 3.1Å; F6-S8 PolarHBondContact O-OG 3.39Å
9N26.6Very low29.2Very low130 Ų130149.3 Ų149.370%0.69578%0.777SS**  trans-66.1124.2-177.3-147.813.7000110.3N7N7-N9 WeakPolarHBondContact OD1-CB 3.47Å; N7-N9 PolarHBondContact OD1-N 3.09Å; N7-N9 VanDerWaalsContact OD1-N 3.12Å
10P35.4Very low29.4Very low87 Ų87147.8 Ų147.857%0.56578%0.78SS**  trans-67.2142.8173.329.1-34.5000109.9F12P10-F12 PolarHBondContact O-N 3.43Å
11Y30.7Very low29.4Very low220 Ų220144.1 Ų144.186%0.86378%0.777SS**  trans-64.396.6176.1-72-85.6000110.8
12F25.6Very low29.4Very low196 Ų196142 Ų14286%0.8677%0.765SS**PPolyproline II helixtrans-71.8124.3164.5-157.4-91.4000107.8P10P10-F12 PolarHBondContact O-N 3.43Å
13W30Very low29.8Very low195 Ų195140.5 Ų140.574%0.73976%0.761SS**PPolyproline II helixtrans-94.9120.4176.8-72.865.6000108.2
14P27.1Very low30Very low107 Ų107140.5 Ų140.570%0.69576%0.761SS**PPolyproline II helixtrans-63.7141.2161.8-15.430.3000109.2I16P14-I16 PolarHBondContact O-N 2.94Å
15S26.8Very low30.2Very low120 Ų120142.9 Ų142.984%0.83977%0.765SS**PPolyproline II helixtrans-60.8132.4173.4-55.30000110.5
16I29.6Very low30.6Very low139 Ų139141 Ų14171%0.71377%0.766SS**PPolyproline II helixtrans-80.5128.2171.2-58.6174.1000107.2P14 T18P14-I16 PolarHBondContact O-N 2.94Å; I16-T18 PolarHBondContact O-N 3.23Å
17P28.9Very low31.2Very low108 Ų108141.3 Ų141.370%0.70177%0.772SS**PPolyproline II helixtrans-68.1126.8173.128-33.1000109.9V19P17-V19 PolarHBondContact O-N 3.43Å
18T32.4Very low31.6Very low136 Ų136144.7 Ų144.783%0.83478%0.781SS**PPolyproline II helixtrans-68.3120.7179.9-46.60000110.7I16I16-T18 PolarHBondContact O-N 3.23Å
19V28.4Very low32.1Very low131 Ų131147.9 Ų147.979%0.79479%0.79SS**  trans-120.4115.4167179.10000107.9P17P17-V19 PolarHBondContact O-N 3.43Å
20S33.2Very low32.4Very low119 Ų119149.5 Ų149.583%0.83280%0.798SS**  trans-71.2129.3172-65.10000110.2
21G29.2Very low32.4Very low71 Ų71154.8 Ų154.873%0.73281%0.812SS**  trans-174.4119.3174.100000110.8
22Q35.8Very low32.6Very low199 Ų199153.4 Ų153.493%0.9382%0.816SS**  trans-75.7127174.9-66.9170.3-90.300109.6
23I35.8Very low33.1Very low164 Ų164153.2 Ų153.284%0.84182%0.815SS**  trans-134.8129.1161.5-57.7-178.1000107.3
24E33.5Very low33.1Very low165 Ų165151.7 Ų151.777%0.77182%0.821SS**  trans-79.4147.4-168.9-58.9-179.912400112.5
25N31.1Very low33.5Very low159 Ų159155.8 Ų155.885%0.8583%0.831SS**  trans-108.844.8-169.5-135.1-33.1000112.5M27N25-M27 PolarHBondContact O-N 2.98Å
26T41Very low33.7Very low124 Ų124157.9 Ų157.976%0.76183%0.832SS**  trans-94.833.4-166.343.50000114.5
27M37.9Very low33.7Very low185 Ų185159 Ų15991%0.91184%0.838SS**SBendtrans-136.327.7-175-118-173.1-163.400117N25N25-M27 PolarHBondContact O-N 2.98Å
28F35.4Very low34.4Very low197 Ų197158.8 Ų158.886%0.86484%0.837SS**SBendtrans-132.910.5-180-141.3-97.8000117.5
29I39.5Very low34.3Very low154 Ų154159.9 Ų159.979%0.7983%0.832SS**SBendtrans-103.1-34.9179.9-64.1-62.8000113.2K31I29-K31 PolarHBondContact O-N 3.32Å; I29-K31 VanDerWaalsContact O-N 3.13Å
30N33.6Very low34.4Very low164 Ų164163 Ų16388%0.87784%0.835SS**SBendtrans-92.554.4-170.1-67-10000114
31K36.1Very low34.1Very low198 Ų198160.9 Ų160.986%0.86183%0.833SS**SBendtrans-147.240.8171.5-153.3166.2-177.5167.50115.8I29I29-K31 PolarHBondContact O-N 3.32Å; I29-K31 VanDerWaalsContact O-N 3.13Å
32M33.7Very low34Very low190 Ų190164.4 Ų164.494%0.93684%0.844SS**SBendtrans-140.138.8164-71.1-154.4-55.100112.9
33K35.5Very low33.5Very low193 Ų193158.8 Ų158.884%0.83984%0.84SS**SBendtrans-146.663.4173.1-164.5-167.2174.3-172.30111.9
34D31.5Very low33.1Very low162 Ų162159.3 Ų159.387%0.86684%0.843SS**  trans-170.193157.5-97-33.9000110.6
35Q34.2Very low32.7Very low193 Ų193155.9 Ų155.990%0.90284%0.843SS**  trans-162.773.2158.1-78.4-150.26.900110
36L30.7Very low33.2Very low165 Ų165153.9 Ų153.986%0.86484%0.839SS**  trans-145.866.2169-77.8-177.3000112.8
37L30.2Very low33.2Very low161 Ų161153 Ų15384%0.84384%0.835SS**  trans61.6165.5148.7-60.3166.9000118.9
38P42.9Very low32.7Very low104 Ų104152.9 Ų152.968%0.67583%0.832SS**  cis-136.7162-48.739.1-24.7000114.6
39E32.1Very low32.4Very low159 Ų159153.5 Ų153.574%0.74383%0.831SS**  trans58.3136.4143.2-82.1-67.310400124.2
40K30.4Very low32.6Very low196 Ų196152 Ų15285%0.85283%0.83SS**  trans75.8138.9158.1-63.8171-175.9178.20120.9
41G26.9Very low32.5Very low76 Ų76149.1 Ų149.178%0.78482%0.819SS**  trans144.1121.9161.700000114
42C25.8Very low32.2Very low144 Ų144146.7 Ų146.797%0.97382%0.815SS**  trans-113.9145.2174.5-55.90000110.3
43G25.2Very low31.9Very low81 Ų81144.5 Ų144.584%0.83581%0.806SS**  trans-177.4116.1178.300000116.2
44L27.1Very low31.5Very low175 Ų175140.4 Ų140.492%0.91680%0.797SS**  trans-54.3146.2-179.2-61.3159.8000118
45A25.2Very low31.2Very low93 Ų93138.6 Ų138.677%0.76979%0.792SS**  trans60.9147.2137.500000123.2
46P42.3Very low32.2Very low118 Ų118135 Ų13577%0.76679%0.785SS**  trans-92.7179.2176.341.2-38.1000113
47P41.8Very low32Very low104 Ų104131.3 Ų131.368%0.67578%0.779SS**  -158.6178100.743.8-25.8000118.7
48H26.2Very low32.3Very low183 Ų183128.6 Ų128.685%0.84777%0.773SS**  trans74.8130.1151.9-64.7-52.7000124.7
49Y29Very low31.5Very low211 Ų211130.1 Ų130.183%0.82778%0.78SS**  trans-85.4161.3156.4-104.6-98.7000109.9
50P45.1Very low31.4Very low121 Ų121127.5 Ų127.579%0.78678%0.78SS**  -145.1-169.671.6241.6000114.8
51T31.1Very low31.3Very low105 Ų105125.6 Ų125.664%0.64478%0.778SS**  cis179.1175.6-36.6-71.60000107.6
52L30.3Very low32.4Very low147 Ų147127.3 Ų127.377%0.7778%0.775SS**  trans86.7159.8174.3-50.2178.1000114.4
53L26.2Very low32.7Very low143 Ų143125.6 Ų125.675%0.74977%0.765SS**  cis-174.2166.2-18.6-96.9172.6000105.3
54T27.2Very low32.9Very low107 Ų107125 Ų12566%0.65676%0.759SS**  cis-165.6143.4-20.6-117.50000105.8
55V25.8Very low33.1Very low124 Ų124125 Ų12575%0.75276%0.758SS**  cis81.9143.545.1175.10000112.2
56P54.8Low33.1Very low117 Ų117125.5 Ų125.576%0.7676%0.756SS**  cis-132.8-177.3-15.441-24.2000116
57A27.3Very low32.6Very low89 Ų89127.9 Ų127.974%0.73676%0.759SS**  trans-169.9107.5130.200000109.2
58S34.9Very low31.8Very low104 Ų104130 Ų13073%0.72776%0.764SS**  59.1112.276.370.90000114
59V27.7Very low32.1Very low135 Ų135126.9 Ų126.982%0.81876%0.758SS**  -178.8149.284.9146.60000108.1
60S28.7Very low32Very low105 Ų105125.2 Ų125.273%0.73476%0.758SS**  cis-160-133.4-17.1-80.90000110.2
61L29.4Very low31.3Very low156 Ų156123.6 Ų123.682%0.81775%0.749SS**  trans-156.1-170.3-168.6-104.5173.8000110
62P48.8Very low31.2Very low112 Ų112127.9 Ų127.973%0.72776%0.759SS**  cis-117.6-166.516.439.9-20.6000113.8
63S32.7Very low31.1Very low108 Ų108124.7 Ų124.776%0.75575%0.749SS**  cis-135.4-156.412.2-48.10000110.7
64G29.2Very low31.2Very low68 Ų68124.2 Ų124.270%0.70175%0.748SS**  cis107.7139.713.200000111.9
65I31.1Very low31.2Very low176 Ų176127 Ų12790%0.90375%0.753SS**  cis-145.7171.67.543.9171000112.6
66S26.3Very low31.2Very low103 Ų103128.4 Ų128.472%0.7276%0.756SS**  trans-32.5143.8179.2-810000120.5
67M31.1Very low29.9Very low168 Ų168128.9 Ų128.983%0.82876%0.756SS**  61.2132.793.7-56.8-174.5162.900114.6
68D25.6Very low30.9Very low148 Ų148129.8 Ų129.879%0.79176%0.755SS**  -164.7-161.672.4-118.6-67.5000115.4
69T31.2Very low30.5Very low117 Ų117133.5 Ų133.572%0.71876%0.76SS**  trans-105.6179.6-164.856.20000118
70E26.8Very low30.7Very low176 Ų176131.4 Ų131.482%0.82275%0.752SS**  trans72.4171.9163.8-65.5-138.375.300118.3
71S31Very low30.7Very low87 Ų87135 Ų13561%0.60876%0.757SS**  cis-164.2128.6-45.4-89.10000111.4
72K29.4Very low30.8Very low195 Ų195131.6 Ų131.685%0.84875%0.751SS**  trans61.1138.4145.8-176.7177.5174.3-167.50122.6
73S27.4Very low29.8Very low80 Ų80131.6 Ų131.656%0.55975%0.754SS**  trans84.2112.8150.8-83.20000123.6
74D28.9Very low29.5Very low134 Ų134132.3 Ų132.372%0.71775%0.754SS**  75.3134.4119.1-64.6-64.8000125.6
75Q26.8Very low29.4Very low165 Ų165133.9 Ų133.977%0.77175%0.749SS**  trans95.2140142.6-133.97870.900121.9
76L26Very low29.4Very low154 Ų154134.5 Ų134.581%0.80675%0.748SS**  trans82.895.1161.2-55.7-175.4000121.2
77T27.8Very low29.6Very low127 Ų127135.5 Ų135.578%0.77975%0.746SS**  trans-65.9-178.4148.550.40000113.8
78P48.5Very low29.4Very low108 Ų108135.7 Ų135.770%0.70175%0.748SS**  cis-134.1-174-39.336.3-19.5000112
79H27.2Very low29.3Very low181 Ų181134.2 Ų134.284%0.83875%0.745SS**  trans-153144.4146.5-116.5-81.2000114
80S30.7Very low29.1Very low92 Ų92135.2 Ų135.264%0.64375%0.751SS**  trans5.1144.6155.940.20000120.6
81Q29.3Very low29.1Very low180 Ų180132.1 Ų132.184%0.84174%0.744SS**  cis-153.7137.120.1-118.7163.6-10.400108.8
82A30.6Very low29.3Very low84 Ų84133.9 Ų133.969%0.69475%0.753SS**  72.6149.192.700000114.6
83S27.9Very low29.3Very low112 Ų112131 Ų13178%0.78375%0.751SS**  cis-179.4171.9-6.6-101.60000107.8
84V26.8Very low29.7Very low124 Ų124132.4 Ų132.475%0.75276%0.759SS**  cis-154.3167.9-2.9103.80000109.8
85T27.1Very low29.6Very low100 Ų100131.3 Ų131.361%0.61376%0.762SS**  trans-104.6156.6173.4580000113.6N87T85-N87 WeakPolarHBondContact CB-OD1 3.38Å; T85-N87 PolarHBondContact O-OD1 3.35Å; T85-N87 PolarHBondContact OG1-OD1 3.03Å
86Q32.2Very low29.9Very low189 Ų189130.8 Ų130.888%0.88377%0.77SS**  trans-129.8118.3149.7-63.9-175.21.900106.5
87N28.8Very low29.9Very low125 Ų125126.6 Ų126.667%0.66876%0.764SS**  cis79.196.640.3-55.631.5000112.2T85T85-N87 WeakPolarHBondContact CB-OD1 3.38Å; T85-N87 PolarHBondContact O-OD1 3.35Å; T85-N87 PolarHBondContact OG1-OD1 3.03Å
88I26.6Very low30Very low171 Ų171128.7 Ų128.788%0.87777%0.769SS**  trans-124.8130.6161.8-65179.9000107.8
89T24.6Very low29.1Very low118 Ų118131.3 Ų131.372%0.72477%0.774SS**  trans-108.8146.6-178.3-480000109.5V91T89-V91 HydrophobicContact CG2-CG2 4.2Å
90V27.2Very low29.1Very low138 Ų138128.9 Ų128.984%0.83677%0.772SS**  trans-126131.2168-177.30000109.2
91V26.1Very low28.9Very low111 Ų111129.2 Ų129.267%0.67378%0.78SS**  trans-121.4139.3-176.2174.90000108.4T89T89-V91 HydrophobicContact CG2-CG2 4.2Å
92P35.9Very low28.7Very low123 Ų123124 Ų12480%0.79977%0.774SS**  trans-80.2146.1-178.632.1-35.7000113.2
93V28.2Very low28.6Very low134 Ų134127 Ų12781%0.81278%0.784SS**  trans-141.2141.3172.9-174.30000109.2
94P35.5Very low28.6Very low111 Ų111126.8 Ų126.872%0.72178%0.782SS**  trans-109.2161.9-166.440.7-36.4000117.2
95S28.8Very low28.5Very low111 Ų111126.4 Ų126.478%0.77678%0.784SS**  trans59.7111.8144.4-62.50000122.6
96T32.2Very low28.6Very low154 Ų154126.3 Ų126.395%0.94579%0.788SS**  -173.4153.912419.20000108.8
97G26.4Very low28.4Very low66 Ų66126 Ų12668%0.6879%0.786SS**  cis144.382.3-7.800000113.2
98L28.4Very low28.3Very low170 Ų170129.9 Ų129.989%0.8979%0.792SS**  trans-147.5144.8169.9-112.3170.2000111.7
99M29.6Very low28.2Very low164 Ų164131.3 Ų131.381%0.80879%0.786SS**  trans-92.9173.8-170.3-46.2-62.9178.900111.2
100T27.8Very low28.2Very low130 Ų130136.3 Ų136.380%0.79879%0.791SS**  -175.1138.574.4-59.50000111.8
101A26.4Very low28.2Very low98 Ų98139.7 Ų139.781%0.8179%0.789SS**  trans59.3145.9170.300000117
102G25.4Very low28.2Very low70 Ų70143.3 Ų143.372%0.72280%0.799SS**  cis106.4130.620.400000108.7
103V29Very low27.7Very low148 Ų148140.8 Ų140.890%0.89780%0.795SS**  cis-138.7154.731.5176.70000111.3
104S27.5Very low27.8Very low107 Ų107139.8 Ų139.875%0.74879%0.794SS**  trans-106.2146.1169.4177.60000110.7
105C25.2Very low27.5Very low116 Ų116142.9 Ų142.978%0.78480%0.799SS**  trans-145.6135.9166.2-165.70000111.8
106S28.8Very low27.5Very low99 Ų99142.2 Ų142.269%0.69279%0.794SS**  trans-128.6129.5-178.9-72.90000111.1
107Q27.7Very low27.5Very low181 Ų181146.4 Ų146.485%0.84679%0.792SS**  trans-176.2129163-100146.3101.200106.6
108R27.2Very low27.5Very low208 Ų208146.5 Ų146.579%0.78579%0.793SS**  cis102.7100.210.5-144.5-154.3-176.7-1572114.8
109W23.6Very low28.4Very low201 Ų201145 Ų14576%0.76179%0.794SS**  trans73.5155.4177.9-51.790.4000115.7
110R24.5Very low28.3Very low222 Ų222140.2 Ų140.284%0.83879%0.787SS**  cis-146.8150.810-160.7-156.5-71.8-150.6-0.1113.4
111R28.6Very low28.4Very low210 Ų210142.1 Ų142.179%0.79279%0.791SS**  trans-9155.8159.5-152.5-171.7-72.9-167.4-4.2122.1
112E26.1Very low28.4Very low187 Ų187142.6 Ų142.687%0.87478%0.783SS**  trans81.5146168-51.8-163.1115.300116.3
113G25Very low28.5Very low69 Ų69146 Ų14671%0.71178%0.784SS**  cis-176.8164.3-6.800000113.5
114S29.8Very low28.5Very low113 Ų113145 Ų14579%0.7978%0.778SS**  trans41.2128.2155.7-63.10000124.5
115Q30.4Very low28.7Very low177 Ų177145 Ų14583%0.82778%0.778SS**  trans70.9109.7138.5-66.5-173.222.500123.8
116S28.6Very low29.6Very low96 Ų96145.7 Ų145.767%0.67178%0.781SS**  92.514711785.70000123.2
117R31Very low30.1Very low243 Ų243147.2 Ų147.292%0.91779%0.792SS**  trans65.9141.8159.6-60.8-177.9-174.3-143.30.4120.1
118G27.3Very low30.1Very low68 Ų68142.4 Ų142.470%0.70179%0.791SS**  trans-88.3-156.9157.900000110.9
119P47.4Very low30.2Very low138 Ų138138 Ų13890%0.89679%0.792SS**  cis-125.5-167.626.539-21000112.8
120G26.9Very low30.4Very low64 Ų64136.8 Ų136.866%0.6680%0.799SS**  cis156.8-169-7.900000111.9
121L30.1Very low30.6Very low169 Ų169131.7 Ų131.789%0.88579%0.793SS**  trans72150.9170.6-51.1168000115.4
122V27.3Very low30.5Very low108 Ų108128.1 Ų128.166%0.65579%0.794SS**  cis-154.6141.8-2106.60000113
123I27.3Very low30.6Very low141 Ų141125.7 Ų125.772%0.72379%0.792SS**  trans24134.1134.7-47.1172.9000117.9
124T28Very low30.7Very low129 Ų129126.6 Ų126.679%0.79179%0.793SS**  -165.4168.156.7-24.50000113.2
125S32.8Very low30.5Very low106 Ų106127.2 Ų127.274%0.74180%0.798SS**  trans-114.6165.2153-51.70000110
126P44.3Very low30.5Very low131 Ų131123.9 Ų123.985%0.85179%0.794SS**  -148.2-178.9105.938.6-22000115.2
127S38.5Very low30.5Very low130 Ų130123.5 Ų123.591%0.90980%0.797SS**  trans-93.3165.7-173.7-46.90000114.5
128G27.4Very low30.5Very low80 Ų80120.7 Ų120.783%0.82579%0.794SS**  trans-156150.1166.100000111.7
129S29Very low30.5Very low115 Ų115123.4 Ų123.480%0.80480%0.797SS**  trans-148.8143.3-174.9-1740000111.6
130L27.9Very low29.6Very low176 Ų176126 Ų12692%0.92180%0.795SS**  trans-150165.5169.9-93.6-179.6000111.3
131V29.1Very low30.6Very low116 Ų116128 Ų12870%0.70380%0.796SS**  trans-138.3155.9-166.4179.10000110.7
132T27.3Very low30.5Very low134 Ų134127.8 Ų127.882%0.82279%0.794SS**  trans66.1160.7177.622.90000114.5
133T27.8Very low30.5Very low136 Ų136127.8 Ų127.883%0.83480%0.798SS**  cis-126.1-173.61549.30000113
134A27.8Very low30.6Very low89 Ų89125 Ų12574%0.73680%0.797SS**  trans-102.6156.9175.200000112.1
135S25.6Very low31.3Very low126 Ų126125.1 Ų125.188%0.88180%0.8SS**  trans-172.8162.7132.7-90.70000115.7
136S29.2Very low31Very low107 Ų107127.7 Ų127.775%0.74880%0.802SS**  trans-47.5147.6-176.453.30000120.5
137A28.3Very low30.4Very low88 Ų88130 Ų13073%0.72781%0.805SS**  trans61.9126.7133.900000121.5
138Q30.7Very low29.9Very low184 Ų184128.8 Ų128.886%0.8679%0.792SS**  -158.6148.4116.6-109.6161.472.900111.8
139T27.7Very low30Very low124 Ų124130.5 Ų130.576%0.76179%0.791SS**  trans-128.3129.1177.1-66.60000108
140F28.7Very low29.9Very low194 Ų194129.7 Ų129.785%0.85179%0.792SS**  trans-151.2155.3151.8-83.9-60.9000111
141P47.4Very low30.1Very low105 Ų105129.4 Ų129.468%0.68279%0.79SS**  trans-107.1166.7-16640.6-35.8000114.4
142I27.8Very low30.6Very low164 Ų164129.1 Ų129.184%0.84179%0.791SS**  trans-128.6122.5149.2-73.892.2000110.4
143S28Very low31.5Very low108 Ų108128.5 Ų128.576%0.75579%0.789SS**  trans1.4139.2152.5-44.60000121.4
144A28.9Very low31.5Very low83 Ų83125.8 Ų125.869%0.68679%0.789SS**  trans-72.8178151.500000111.5
145P42.6Very low31.5Very low132 Ų132127.1 Ų127.186%0.85779%0.792SS**  -123.3158.7115.835.9-34.2000113.1
146M27.7Very low31.8Very low160 Ų160129.6 Ų129.679%0.78879%0.79SS**  trans-94.8154.2176.5-56.7-145.4-59.200111.8V148M146-V148 HydrophobicContact CE-CG2 4.36Å
147I30.5Very low31.6Very low178 Ų178129.1 Ų129.191%0.91379%0.793SS**  trans-125.3138.4158.3-63.3-179.6000107.2
148V28.7Very low31.6Very low106 Ų106132.8 Ų132.864%0.64280%0.799SS**  trans-118.2130.8-163.9166.20000111.8M146M146-V148 HydrophobicContact CE-CG2 4.36Å
149S29.3Very low31.5Very low115 Ų115132.4 Ų132.480%0.80480%0.797SS**  trans47.2123.8154.5-59.50000121.9
150A27.9Very low31.4Very low99 Ų99133.2 Ų133.282%0.81880%0.801SS**  trans-145.9123.3135.300000111.2
151L31Very low31.5Very low169 Ų169129.4 Ų129.489%0.88579%0.794SS**  trans-139.2168.5165.5-114.286.4000105.4
152P40.3Very low30.7Very low110 Ų110130.3 Ų130.371%0.71480%0.8SS**  cis-139.6-13923.342.1-19.6000111.2
153P45.2Very low30.6Very low121 Ų121128.7 Ų128.779%0.78679%0.793SS**  cis-117171-48.226.6-8.5000113.3
154G27.4Very low30.8Very low80 Ų80131.7 Ų131.783%0.82580%0.799SS**  trans-168.8100.2170.100000114.6
155S28.9Very low30.9Very low116 Ų116132.4 Ų132.481%0.81180%0.799SS**  trans-80158.5-178.2-16.30000112.4
156Q31Very low30.6Very low179 Ų179136 Ų13684%0.83680%0.802SS**  cis-142.8171.30.7-59.4-177.97.400109.7
157A26.1Very low30.9Very low97 Ų97137.7 Ų137.780%0.80281%0.805SS**  trans-140128.2161.800000111.3
158L27.8Very low30.7Very low164 Ų164136.3 Ų136.386%0.85980%0.804SS**  trans-81.7130.2178.4-71.4165.5000111
159Q27.6Very low30.7Very low177 Ų177135.4 Ų135.483%0.82781%0.808SS**  trans-110.9132.3163.5-68-170.98.500109.6
160V26.8Very low30.6Very low140 Ų140135.6 Ų135.685%0.84881%0.809SS**  trans-107.1117.8169.9177.30000108
161V29.9Very low30.6Very low114 Ų114137 Ų13769%0.69181%0.808SS**  trans-105.4128.4176.9179.90000108.9D163V161-D163 PolarHBondContact O-N 2.97Å
162P32.1Very low30.4Very low124 Ų124135.9 Ų135.981%0.80580%0.802SS**  trans-75.9115.3163.6-13.229.9000110
163D25.5Very low29.9Very low130 Ų130136 Ų13670%0.69580%0.801SS**  trans-71.3148.3173.4172.437.6000112V161 S165V161-D163 PolarHBondContact O-N 2.97Å; D163-S165 PolarHBondContact OD1-N 3.23Å; D163-S165 VanDerWaalsContact OD1-N 3.16Å
164L31.2Very low29.3Very low171 Ų171137.7 Ų137.790%0.89580%0.798SS**  trans-152.986.7157.3-166.870.2000110.9
165S31.6Very low29.5Very low98 Ų98142.3 Ų142.369%0.68580%0.798SS**  trans-139.391.2176.6-83.70000115.7D163D163-S165 PolarHBondContact OD1-N 3.23Å; D163-S165 VanDerWaalsContact OD1-N 3.16Å
166K35.9Very low29.7Very low209 Ų209140.5 Ų140.591%0.90980%0.798SS**  trans-143.898153-62.8-173.7-177.2177.70107.1
167K33.7Very low29.7Very low195 Ų195136.1 Ų136.185%0.84880%0.801SS**  67.4108.356.7-168.6-174.1177.8-1790113.9
168V26.9Very low29.8Very low148 Ų148135.4 Ų135.490%0.89780%0.803SS**  -143.6155129.7150.90000106.1
169A28.2Very low29.9Very low88 Ų88131.6 Ų131.673%0.72780%0.803SS**  trans-114.6166.3-165.900000113.9
170S28.3Very low30.1Very low118 Ų118127.1 Ų127.183%0.82580%0.804SS**  trans-102.5146.7-176.1-39.40000113.5
171T27.7Very low30.2Very low130 Ų130124.5 Ų124.580%0.79881%0.806SS**  trans-145.4156.4145.358.90000106.2
172L26.6Very low30.2Very low145 Ų145123.2 Ų123.276%0.75982%0.815SS**  cis-140.6153.517.1-74.2164.5000112.2
173T29.1Very low30Very low112 Ų112121.4 Ų121.469%0.68782%0.82SS**  trans39.3124.5140.262.80000124.1
174E32.5Very low30.1Very low156 Ų156119.2 Ų119.273%0.72983%0.828SS**  79.9130.9121.3-63.3-60.680.300124.3
175E32.8Very low30Very low178 Ų178116.4 Ų116.483%0.83282%0.822SS**  trans61.6152.3143.1-58.8-66.172.600121.7
176G32Very low30Very low78 Ų78118.9 Ų118.980%0.80483%0.833SS**  trans-167.7151.2175.400000115.8
177G30.7Very low29.8Very low87 Ų87113.1 Ų113.190%0.89782%0.824SS**  trans106.6123.4165.300000115.6
178G29.9Very low30.3Very low81 Ų81108.8 Ų108.884%0.83582%0.816SS**  trans147.891.2161.500000117.8
179G29.6Very low30.5Very low85 Ų85111 Ų11188%0.87681%0.814SS**  trans75.6135137.700000122
180G30.1Very low31.5Very low82 Ų82112.3 Ų112.385%0.84582%0.815SS**  110.282.2124.600000121
181G29.4Very low32.3Very low86 Ų86111.7 Ų111.789%0.88781%0.808SS**  trans78.7170.413700000120
182G29.6Very low32.6Very low86 Ų86117.2 Ų117.289%0.88781%0.814SS**  trans108.5122.2177.100000113.9
183G28.4Very low32.7Very low87 Ų87114 Ų11490%0.89782%0.816SS**  trans-107.5157.317600000112.7
184G28.8Very low33Very low84 Ų84120.8 Ų120.887%0.86683%0.829SS**  trans-175.8116175.500000111.5
185S28.5Very low33.1Very low111 Ų111123.1 Ų123.178%0.77684%0.837SS**  trans-96140.8-175.646.50000112.5
186V30.7Very low33.1Very low150 Ų150125 Ų12591%0.90984%0.842SS**  -174.2158.4126.7-92.50000111.7
187A32.6Very low33.2Very low88 Ų88129.5 Ų129.573%0.72784%0.84SS**  trans-127.2-174.7164.800000107.2
188P43.6Very low33.1Very low105 Ų105137.3 Ų137.368%0.68284%0.842SS**  cis-148.5-171.47.346.3-26.9000117.7
189K32.2Very low33.2Very low195 Ų195139.3 Ų139.385%0.84883%0.831SS**  trans85.2146.4148.8-79.2169.9-176.6172.70122
190P49.2Very low33.4Very low114 Ų114143.1 Ų143.174%0.7483%0.831SS**  trans-102-174.4176.843.9-37.7000112.5
191P44Very low33.4Very low106 Ų106146.8 Ų146.869%0.68883%0.826SS**  -158.2-174.895.739.8-19.3000117.3
192R34.5Very low33.5Very low245 Ų245148.4 Ų148.493%0.92582%0.823SS**  trans76.1129.9166.4-55.9170.1178.9-178.4-1116.7
193G28.2Very low33.8Very low77 Ų77147.6 Ų147.679%0.79482%0.815SS**  cis126.1109.9-15.900000115.6
194R35.7Very low33.8Very low256 Ų256151.4 Ų151.497%0.96681%0.814SS**  trans-154.8111.8160.3-120.6174.5-175172.92.6111.7
195K34.4Very low33.9Very low204 Ų204153 Ų15389%0.88781%0.809SS**  trans-82.5145.2165.2-73.2175.5175.9172.70109.4
196K33.7Very low34.4Very low217 Ų217156 Ų15694%0.94381%0.811SS**  trans-131123.1140.1-91.9-170.9173.8-178.80108
197K34.5Very low34.5Very low174 Ų174157.4 Ų157.476%0.75781%0.81SS**  trans-113.2137.8175.1-157.9-171.2-167.7-163.60106.2M199K197-M199 HydrophobicContact CD-CG 4.49Å; K197-M199 HydrophobicContact CD-SD 4.01Å; K197-M199 WeakPolarHBondContact CE-SD 3.35Å; K197-M199 HydrophobicContact CG-CG 4.48Å; K197-M199 PolarHBondContact NZ-SD 2.87Å
198R28.3Very low34.5Very low251 Ų251159.4 Ų159.495%0.94781%0.808SS**  trans-133.5132.9161.6-151.9176.9-158.5-169.14.8107.4
199M31.2Very low34.2Very low123 Ų123159.6 Ų159.661%0.60680%0.804SS**  trans-133.9139.8176.9-69.2171.364.400107K197K197-M199 HydrophobicContact CD-CG 4.49Å; K197-M199 HydrophobicContact CD-SD 4.01Å; K197-M199 WeakPolarHBondContact CE-SD 3.35Å; K197-M199 HydrophobicContact CG-CG 4.48Å; K197-M199 PolarHBondContact NZ-SD 2.87Å
200L33.1Very low34.7Very low165 Ų165155.7 Ų155.786%0.86480%0.798SS**  trans168.6150.2140-109.167.7000104.1
201E30.4Very low34.7Very low159 Ų159160 Ų16074%0.74380%0.801SS**  cis161109.9-15.3-179.969.8-151.100102.1
202S31.9Very low34.4Very low119 Ų119160.5 Ų160.583%0.83280%0.802SS**  trans-159.687.4176.560.40000109.2
203G36.5Very low34.6Very low70 Ų70156 Ų15672%0.72280%0.795SS**  trans-76.7132.6-177.400000113.2
204L27.9Very low34.7Very low167 Ų167156 Ų15687%0.87478%0.783SS**  trans-148.7160.8152.3-125.678.6000106.3
205P31.9Very low35.8Very low117 Ų117150.4 Ų150.476%0.7678%0.78SS**  trans-69.2143.2-158.626.7-34.3000114.3M207P205-M207 PolarHBondContact O-N 3.29Å
206E38.8Very low36Very low173 Ų173147.9 Ų147.981%0.80877%0.771SS**  trans-73.191.6-177-170.3-177.8137.700111.8N208E206-N208 PolarHBondContact O-N 3.48Å
207M31.5Very low36.4Very low181 Ų181144.9 Ų144.989%0.89277%0.766SS**  trans-73.5114.6166.770.6-178.8-168.500109.5P205 D209P205-M207 PolarHBondContact O-N 3.29Å; M207-D209 PolarHBondContact O-N 3Å
208N33.1Very low36.5Very low130 Ų130144.8 Ų144.870%0.69577%0.773SS**  trans-63.2124179.8-105.2-115000111E206 P210E206-N208 PolarHBondContact O-N 3.48Å; N208-P210 VanDerWaalsContact O-CD 3.27Å; N208-P210 WeakPolarHBondContact O-CD 3.37Å
209D37.3Very low37.5Very low109 Ų109140.6 Ų140.658%0.58377%0.77SS**  trans-74.9113.2170.9-173.4-19.8000109M207 Y211 V212M207-D209 PolarHBondContact O-N 3Å; D209-Y211 PolarHBondContact O-N 3.28Å; D209-Y211 PolarHBondContact OD1-N 2.76Å; D209-V212 PolarHBondContact O-N 3.1Å
210P43.5Very low38.3Very low113 Ų113140.9 Ų140.973%0.73477%0.774SS**THydrogen-bonded Turntrans-67.89.5-169.4-21.735000116.2N208N208-P210 VanDerWaalsContact O-CD 3.27Å; N208-P210 WeakPolarHBondContact O-CD 3.37Å
211Y48Very low38.9Very low204 Ų204140.9 Ų140.980%0.877%0.769SS**THydrogen-bonded Turntrans-128.911.7-174.4-78.8-71.8000115.7D209D209-Y211 PolarHBondContact O-N 3.28Å; D209-Y211 PolarHBondContact OD1-N 2.76Å
212V38.4Very low39.5Very low117 Ų117140.8 Ų140.871%0.70977%0.769SS**PPolyproline II helixtrans-86.1121.9160-177.10000108.6D209D209-V212 PolarHBondContact O-N 3.1Å
213L38.1Very low40.3Very low150 Ų150144.9 Ų144.979%0.78577%0.771SS**PPolyproline II helixtrans-84.3123.8170.6-71.4167.3000108.9
214S30.3Very low40.8Very low78 Ų78147.5 Ų147.555%0.54577%0.769SS.*PPolyproline II helixtrans-56139.2157-640000110.1E216S214-E216 VanDerWaalsContact C-N 3.34Å; S214-E216 WeakPolarHBondContact CB-OE1 3.47Å; S214-E216 PolarHBondContact O-N 2.99Å; S214-E216 PolarHBondContact OG-OE1 3.06Å
215P58.3Low42.2Very low138 Ų138142.7 Ų142.790%0.89676%0.76SS**  trans-8580.7161.734.1-29.1000108.7
216E38.9Very low43.6Very low151 Ų151145.3 Ų145.371%0.70676%0.759SS**  trans-127.1143.9168.957.8-159.5114.600110.3S214S214-E216 VanDerWaalsContact C-N 3.34Å; S214-E216 WeakPolarHBondContact CB-OE1 3.47Å; S214-E216 PolarHBondContact O-N 2.99Å; S214-E216 PolarHBondContact OG-OE1 3.06Å
217D42.7Very low45.1Very low154 Ų154140.6 Ų140.682%0.82474%0.742SS**  trans-69.5139.9-148.2-54.5-101000116.6
218D36.2Very low47.2Very low171 Ų171135.6 Ų135.691%0.91471%0.714SS**  trans-155.191.7153.6-117.1-30.1000107.6
219D48.6Very low49.2Very low163 Ų163137.2 Ų137.287%0.87271%0.71SS**  trans-103.789.2-178.8-163.1-46.9000110.7
220D49.5Very low51.1Low129 Ų129132.2 Ų132.269%0.6968%0.684SS**  trans-162.8177.7148.3-145.8-45.5000109.9
221H45.1Very low52.4Low166 Ų166138.5 Ų138.577%0.76969%0.693SS**  trans79.870.2175.4-56.286.5000117.3
222Q43.5Very low53.3Low157 Ų157135.4 Ų135.473%0.73469%0.687SS**  85143.9124-152.560.918.800119.6D224Q222-D224 VanDerWaalsContact C-N 3.27Å; Q222-D224 PolarHBondContact O-N 3.28Å
223K48.1Very low55Low204 Ų204132.1 Ų132.189%0.88767%0.669SS**SBendtrans-8641.7-164.7-161.1177.9-179.4175.80113.8
224D46.6Very low56.7Low125 Ų125128 Ų12867%0.66865%0.653SS**SBendtrans-111.5159.2-174.6-77.1-74.8000113.4Q222 K226Q222-D224 VanDerWaalsContact C-N 3.27Å; Q222-D224 PolarHBondContact O-N 3.28Å; D224-K226 PolarHBondContact O-N 2.94Å; D224-K226 VanDerWaalsContact O-N 3.13Å
225G57.3Low58.8Low66 Ų66128.8 Ų128.868%0.6865%0.651SS**  trans-58.6115.9-169.200000113.2T227G225-T227 WeakPolarHBondContact O-CG2 3.41Å; G225-T227 PolarHBondContact O-N 2.73Å
226K61.1Low59.8Low172 Ų172125.7 Ų125.775%0.74863%0.629SS**  trans-57.597.2-174.8-59-171.8-178.6-168.10112.1D224 Y228D224-K226 PolarHBondContact O-N 2.94Å; D224-K226 VanDerWaalsContact O-N 3.13Å; K226-Y228 HydrophobicContact CB-CE2 4.48Å; K226-Y228 WeakPolarHBondContact O-CD2 3.37Å; K226-Y228 WeakPolarHBondContact O-CE2 3.45Å
227T70.8Confident61.7Low74 Ų74120.4 Ų120.445%0.45460%0.604SS.*  trans-97.8148.7175.160.10000111.9G225 T236 F237 Y238G225-T227 WeakPolarHBondContact O-CG2 3.41Å; G225-T227 PolarHBondContact O-N 2.73Å; T227-T236 VanDerWaalsContact CB-CG2 3.45Å; T227-T236 HydrophobicContact CG2-CG2 4.13Å; T227-T236 WeakPolarHBondContact OG1-CG2 3.41Å; T227-F237 CarbonylContact C-O 3.57Å; T227-F237 WeakPolarHBondContact CA-O 3.34Å; T227-F237 WeakPolarHBondContact CB-O 3.42Å; T227-Y238 HydrophobicContact CG2-CD1 3.75Å; T227-Y238 HydrophobicContact CG2-CE1 3.88Å
228Y74.9Confident63.4Low76 Ų76122.5 Ų122.530%0.29860%0.602SS.*EExtended strand (participates in β ladder)trans-116.2112.8-170.4-61.1-89.9000109.7K226 F237 K240K226-Y228 HydrophobicContact CB-CE2 4.48Å; K226-Y228 WeakPolarHBondContact O-CD2 3.37Å; K226-Y228 WeakPolarHBondContact O-CE2 3.45Å; Y228-F237 PolarHBondContact N-O 2.91Å; Y228-F237 PolarHBondContact O-N 3.42Å; Y228-K240 HydrophobicContact CD1-CB 3.77Å; Y228-K240 HydrophobicContact CD1-CD 4.47Å; Y228-K240 HydrophobicContact CD1-CG 3.91Å; Y228-K240 HydrophobicContact CD2-CB 4.32Å; Y228-K240 HydrophobicContact CE1-CB 3.58Å; Y228-K240 HydrophobicContact CE1-CD 4.01Å; Y228-K240 HydrophobicContact CE1-CG 3.85Å; Y228-K240 HydrophobicContact CE2-CB 4.15Å; Y228-K240 HydrophobicContact CG-CB 4.14Å
229R75.1Confident65.4Low164 Ų164116.2 Ų116.262%0.61957%0.571SS**EExtended strand (participates in β ladder)trans-97.4127.4-175.1-172.7173.3172.5-173.7-4.5111.8R231 S234 L235R229-R231 PolarHBondContact O-N 3.38Å; R229-S234 PolarHBondContact NH2-OG 2.91Å; R229-L235 WeakPolarHBondContact CA-O 3.42Å
230C78Confident66.7Low5 Ų5114.5 Ų114.53%0.03456%0.556CS.*  trans-72.8117175.3-174.50000110.9M232 C233 S234 L235 F237C230-M232 PolarHBondContact O-N 2.94Å; C230-C233 PolarHBondContact O-N 3.39Å; C230-S234 VanDerWaalsContact O-CA 3.26Å; C230-S234 WeakPolarHBondContact O-CA 3.41Å; C230-S234 PolarHBondContact O-N 2.92Å; C230-L235 PolarHBondContact N-O 3.5Å; C230-F237 HydrophobicContact CB-CE2 4.28Å
231R70.8Confident67.8Low245 Ų245111.4 Ų111.493%0.92555%0.545SS*.THydrogen-bonded Turntrans-57.4-33.5180-15783.5170.2-165.9-1.9113R229R229-R231 PolarHBondContact O-N 3.38Å
232M67.3Low69.1Low138 Ų138108.1 Ų108.168%0.6853%0.529SS*.THydrogen-bonded Turntrans-77.7-25.1-173.1-59.6-55-67.900115.1C230 H250C230-M232 PolarHBondContact O-N 2.94Å; M232-H250 HydrophobicContact CB-CB 4.39Å; M232-H250 HydrophobicContact CG-CB 4.41Å
233C74.1Confident70.7Confident49 Ų49102.6 Ų102.633%0.33150%0.504SS..THydrogen-bonded Turntrans-142.26.4-174.969.20000114.1C230 L235 H246 H250C230-C233 PolarHBondContact O-N 3.39Å; C233-L235 PolarHBondContact O-N 3.42Å; C233-H246 PolarHBondContact SG-NE2 2.95Å; C233-H250 PolarHBondContact SG-NE2 2.93Å; C233-H250 VanDerWaalsContact SG-NE2 3.41Å
234S73.4Confident71.8Confident62 Ų6297.9 Ų97.943%0.43449%0.485SS..  trans59.35.8-176.9-730000117.6R229 C230R229-S234 PolarHBondContact NH2-OG 2.91Å; C230-S234 VanDerWaalsContact O-CA 3.26Å; C230-S234 WeakPolarHBondContact O-CA 3.41Å; C230-S234 PolarHBondContact O-N 2.92Å
235L74.3Confident73Confident96 Ų9694.4 Ų94.450%0.50347%0.466SS..  trans-66.5136.3175.4-69.4177.2000111.8R229 C230 C233 F237R229-L235 WeakPolarHBondContact CA-O 3.42Å; C230-L235 PolarHBondContact N-O 3.5Å; C233-L235 PolarHBondContact O-N 3.42Å; L235-F237 HydrophobicContact CB-CE2 3.7Å; L235-F237 HydrophobicContact CB-CZ 3.91Å; L235-F237 HydrophobicContact CD1-CZ 4.46Å; L235-F237 WeakPolarHBondContact O-CE2 3.35Å
236T79.1Confident73.8Confident73 Ų7392.8 Ų92.845%0.44844%0.441SS..EExtended strand (participates in β ladder)trans-106.8135.4-177.2-600000110.9T227T227-T236 VanDerWaalsContact CB-CG2 3.45Å; T227-T236 HydrophobicContact CG2-CG2 4.13Å; T227-T236 WeakPolarHBondContact OG1-CG2 3.41Å
237F80.2Confident74.2Confident40 Ų4086.4 Ų86.418%0.17542%0.418CS..EExtended strand (participates in β ladder)trans-124.9155.6-176.5-60.1-91.4000111T227 Y228 C230 L235 E242 M243 H246T227-F237 CarbonylContact C-O 3.57Å; T227-F237 WeakPolarHBondContact CA-O 3.34Å; T227-F237 WeakPolarHBondContact CB-O 3.42Å; Y228-F237 PolarHBondContact N-O 2.91Å; Y228-F237 PolarHBondContact O-N 3.42Å; C230-F237 HydrophobicContact CB-CE2 4.28Å; L235-F237 HydrophobicContact CB-CE2 3.7Å; L235-F237 HydrophobicContact CB-CZ 3.91Å; L235-F237 HydrophobicContact CD1-CZ 4.46Å; L235-F237 WeakPolarHBondContact O-CE2 3.35Å; F237-E242 HydrophobicContact CB-CB 4.18Å; F237-E242 HydrophobicContact CD1-CB 4.05Å; F237-E242 HydrophobicContact CG-CB 4.39Å; F237-M243 HydrophobicContact CB-CB 4.1Å; F237-M243 HydrophobicContact CD2-CB 3.89Å; F237-M243 HydrophobicContact CD2-CG 4.1Å; F237-M243 HydrophobicContact CG-CB 4.16Å; F237-H246 HydrophobicContact CE1-CB 3.93Å; F237-H246 HydrophobicContact CE2-CB 3.95Å; F237-H246 AromaticContact CE2-CD2 3.4Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.43Å; F237-H246 AromaticContact CE2-CG 3.69Å; F237-H246 HydrophobicContact CZ-CB 3.51Å; F237-H246 AromaticContact CZ-CD2 3.39Å; F237-H246 WeakPolarHBondContact CZ-CD2 3.49Å; F237-H246 AromaticContact CZ-CG 3.23Å; F237-H246 AromaticContact CZ-ND1 3.85Å
238Y77.8Confident74.1Confident197 Ų19787.2 Ų87.277%0.77342%0.415SS*.SBendtrans-87.6-10.2179.4-62.7-79.7000113.2T227T227-Y238 HydrophobicContact CG2-CD1 3.75Å; T227-Y238 HydrophobicContact CG2-CE1 3.88Å
239S78.1Confident73.7Confident39 Ų3986.4 Ų86.427%0.27342%0.42SS..SBendtrans-129.9142.8174.7173.70000113S241 E242 M243S239-S241 PolarHBondContact O-N 3.26Å; S239-S241 PolarHBondContact OG-N 3.45Å; S239-S241 VanDerWaalsContact OG-N 3.13Å; S239-S241 PolarHBondContact OG-OG 2.93Å; S239-E242 PolarHBondContact N-OE2 3.49Å; S239-E242 PolarHBondContact O-N 3.34Å; S239-M243 PolarHBondContact O-N 2.94Å
240K75.6Confident73.2Confident128 Ų12882.3 Ų82.356%0.55741%0.408SS*.Hα-helixtrans-58.1-36.9171.4-164171.9-178.3174.60111.4Y228 Q244Y228-K240 HydrophobicContact CD1-CB 3.77Å; Y228-K240 HydrophobicContact CD1-CD 4.47Å; Y228-K240 HydrophobicContact CD1-CG 3.91Å; Y228-K240 HydrophobicContact CD2-CB 4.32Å; Y228-K240 HydrophobicContact CE1-CB 3.58Å; Y228-K240 HydrophobicContact CE1-CD 4.01Å; Y228-K240 HydrophobicContact CE1-CG 3.85Å; Y228-K240 HydrophobicContact CE2-CB 4.15Å; Y228-K240 HydrophobicContact CG-CB 4.14Å; K240-Q244 VanDerWaalsContact O-CB 3.27Å; K240-Q244 WeakPolarHBondContact O-CB 3.35Å; K240-Q244 PolarHBondContact O-N 3.42Å
241S71.8Confident72.4Confident64 Ų6485.1 Ų85.145%0.44843%0.425SS..Hα-helixtrans-71.2-36.3179630000112.3S239 Q244 I245S239-S241 PolarHBondContact O-N 3.26Å; S239-S241 PolarHBondContact OG-N 3.45Å; S239-S241 VanDerWaalsContact OG-N 3.13Å; S239-S241 PolarHBondContact OG-OG 2.93Å; S241-Q244 PolarHBondContact O-N 3.31Å; S241-I245 WeakPolarHBondContact O-CB 3.43Å; S241-I245 WeakPolarHBondContact O-CD1 3.36Å; S241-I245 WeakPolarHBondContact O-CG1 3.44Å; S241-I245 PolarHBondContact O-N 3.46Å
242E73.2Confident71.8Confident96 Ų9682.5 Ų82.545%0.44942%0.423SS..Hα-helixtrans-66.8-46.7173.9-68.2177.8145.800111.2F237 S239 Q244 I245 H246F237-E242 HydrophobicContact CB-CB 4.18Å; F237-E242 HydrophobicContact CD1-CB 4.05Å; F237-E242 HydrophobicContact CG-CB 4.39Å; S239-E242 PolarHBondContact N-OE2 3.49Å; S239-E242 PolarHBondContact O-N 3.34Å; E242-Q244 VanDerWaalsContact C-N 3.25Å; E242-Q244 PolarHBondContact O-N 2.96Å; E242-I245 PolarHBondContact O-N 2.94Å; E242-H246 WeakPolarHBondContact O-CB 3.42Å; E242-H246 PolarHBondContact O-N 3.34Å
243M78.3Confident71.2Confident41 Ų4181.1 Ų81.120%0.20242%0.423CS..Hα-helixtrans-57.6-38.5173.6-176-128.262.300111.7F237 S239 H246 S247F237-M243 HydrophobicContact CB-CB 4.1Å; F237-M243 HydrophobicContact CD2-CB 3.89Å; F237-M243 HydrophobicContact CD2-CG 4.1Å; F237-M243 HydrophobicContact CG-CB 4.16Å; S239-M243 PolarHBondContact O-N 2.94Å; M243-H246 PolarHBondContact O-N 3.49Å; M243-S247 PolarHBondContact O-N 2.94Å
244Q71.1Confident70.7Confident105 Ų10582.8 Ų82.849%0.49143%0.425SS..Hα-helixtrans-78.2-30.1179.6-162.8-177.22500113.3K240 S241 E242 H246 S247 K248K240-Q244 VanDerWaalsContact O-CB 3.27Å; K240-Q244 WeakPolarHBondContact O-CB 3.35Å; K240-Q244 PolarHBondContact O-N 3.42Å; S241-Q244 PolarHBondContact O-N 3.31Å; E242-Q244 VanDerWaalsContact C-N 3.25Å; E242-Q244 PolarHBondContact O-N 2.96Å; Q244-H246 VanDerWaalsContact C-N 3.32Å; Q244-S247 WeakPolarHBondContact CA-OG 3.34Å; Q244-S247 PolarHBondContact O-OG 3.49Å; Q244-S247 VanDerWaalsContact O-OG 3.08Å; Q244-K248 VanDerWaalsContact O-CG 3.3Å; Q244-K248 WeakPolarHBondContact O-CG 3.34Å; Q244-K248 PolarHBondContact O-N 3.41Å
245I69.9Low70.5Confident52 Ų5283.9 Ų83.927%0.26743%0.43SS..Hα-helixtrans-68.6-37.1168.6-71.6160.2000109.9S241 E242 N267 Y270S241-I245 WeakPolarHBondContact O-CB 3.43Å; S241-I245 WeakPolarHBondContact O-CD1 3.36Å; S241-I245 WeakPolarHBondContact O-CG1 3.44Å; S241-I245 PolarHBondContact O-N 3.46Å; E242-I245 PolarHBondContact O-N 2.94Å; I245-N267 WeakPolarHBondContact CD1-ND2 3.43Å; I245-N267 HydrophobicContact CG2-CB 4.28Å; I245-Y270 HydrophobicContact CG2-CE2 4.05Å
246H74.4Confident70.3Confident33 Ų3382.5 Ų82.515%0.15342%0.421CS..Hα-helixtrans-72.3-39175.7174.366.3000113C233 F237 E242 M243 Q244 K248 S249 H250C233-H246 PolarHBondContact SG-NE2 2.95Å; F237-H246 HydrophobicContact CE1-CB 3.93Å; F237-H246 HydrophobicContact CE2-CB 3.95Å; F237-H246 AromaticContact CE2-CD2 3.4Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.43Å; F237-H246 AromaticContact CE2-CG 3.69Å; F237-H246 HydrophobicContact CZ-CB 3.51Å; F237-H246 AromaticContact CZ-CD2 3.39Å; F237-H246 WeakPolarHBondContact CZ-CD2 3.49Å; F237-H246 AromaticContact CZ-CG 3.23Å; F237-H246 AromaticContact CZ-ND1 3.85Å; E242-H246 WeakPolarHBondContact O-CB 3.42Å; E242-H246 PolarHBondContact O-N 3.34Å; M243-H246 PolarHBondContact O-N 3.49Å; Q244-H246 VanDerWaalsContact C-N 3.32Å; H246-K248 PolarHBondContact O-N 3.33Å; H246-S249 PolarHBondContact ND1-OG 2.93Å; H246-S249 VanDerWaalsContact O-CB 3.29Å; H246-S249 WeakPolarHBondContact O-CB 3.44Å; H246-S249 PolarHBondContact O-N 2.94Å; H246-S249 PolarHBondContact O-OG 3.5Å; H246-H250 AromaticContact CD2-NE2 3.84Å; H246-H250 AromaticContact CE1-CE1 4Å; H246-H250 AromaticContact CE1-NE2 3.45Å; H246-H250 PolarHBondContact CE1-NE2 2.96Å; H246-H250 AromaticContact NE2-CD2 3.92Å; H246-H250 AromaticContact NE2-CE1 3.84Å; H246-H250 AromaticContact NE2-NE2 2.97Å; H246-H250 PolarHBondContact NE2-NE2 3.46Å
247S69.4Low70Confident38 Ų3886.4 Ų86.427%0.26643%0.432SS..Hα-helixtrans-61.1-36.3177.566.40000111.6M243 Q244 S249 H250M243-S247 PolarHBondContact O-N 2.94Å; Q244-S247 WeakPolarHBondContact CA-OG 3.34Å; Q244-S247 PolarHBondContact O-OG 3.49Å; Q244-S247 VanDerWaalsContact O-OG 3.08Å; S247-S249 PolarHBondContact O-N 3.33Å; S247-H250 PolarHBondContact O-N 3.49Å
248K69.6Low69.9Low90 Ų9085 Ų8539%0.39143%0.427SS..THydrogen-bonded Turntrans-63.8-0.3170.1-66.5172.8-176.5-175.90115.1Q244 H246 T251 A266Q244-K248 VanDerWaalsContact O-CG 3.3Å; Q244-K248 WeakPolarHBondContact O-CG 3.34Å; Q244-K248 PolarHBondContact O-N 3.41Å; H246-K248 PolarHBondContact O-N 3.33Å; K248-T251 WeakPolarHBondContact CA-OG1 3.34Å; K248-T251 PolarHBondContact O-OG1 2.95Å; K248-A266 HydrophobicContact CB-CB 3.94Å; K248-A266 VanDerWaalsContact O-CB 3.31Å; K248-A266 WeakPolarHBondContact O-CB 3.43Å
249S66.2Low69.7Low59 Ų5980.4 Ų80.441%0.41342%0.421SS..THydrogen-bonded Turntrans-93.2-17.7169.674.50000113.8H246 S247H246-S249 PolarHBondContact ND1-OG 2.93Å; H246-S249 VanDerWaalsContact O-CB 3.29Å; H246-S249 WeakPolarHBondContact O-CB 3.44Å; H246-S249 PolarHBondContact O-N 2.94Å; H246-S249 PolarHBondContact O-OG 3.5Å; S247-S249 PolarHBondContact O-N 3.33Å
250H64Low69.4Low78 Ų7884.2 Ų84.236%0.36143%0.434SS..THydrogen-bonded Turntrans-87.1-24.4172.5-58.6-64.7000112.6M232 C233 H246 S247M232-H250 HydrophobicContact CB-CB 4.39Å; M232-H250 HydrophobicContact CG-CB 4.41Å; C233-H250 PolarHBondContact SG-NE2 2.93Å; C233-H250 VanDerWaalsContact SG-NE2 3.41Å; H246-H250 AromaticContact CD2-NE2 3.84Å; H246-H250 AromaticContact CE1-CE1 4Å; H246-H250 AromaticContact CE1-NE2 3.45Å; H246-H250 PolarHBondContact CE1-NE2 2.96Å; H246-H250 AromaticContact NE2-CD2 3.92Å; H246-H250 AromaticContact NE2-CE1 3.84Å; H246-H250 AromaticContact NE2-NE2 2.97Å; H246-H250 PolarHBondContact NE2-NE2 3.46Å; S247-H250 PolarHBondContact O-N 3.49Å
251T61.7Low69.6Low65 Ų6580.1 Ų80.140%0.39942%0.422SS..SBendtrans-84129.2172.356.50000110.7K248 T253K248-T251 WeakPolarHBondContact CA-OG1 3.34Å; K248-T251 PolarHBondContact O-OG1 2.95Å; T251-T253 WeakPolarHBondContact CB-OG1 3.37Å; T251-T253 PolarHBondContact O-N 3.41Å
252E57.5Low69.8Low189 Ų18983 Ų8388%0.88344%0.441SS*.SBendtrans-67.4-17.3179.6-58.3-158.6127.700113.8K254E252-K254 PolarHBondContact O-N 3.32Å
253T55.2Low69.8Low109 Ų10984.4 Ų84.467%0.66945%0.446SS*.  trans-68.955.2178.1490000113.7T251 P255T251-T253 WeakPolarHBondContact CB-OG1 3.37Å; T251-T253 PolarHBondContact O-N 3.41Å; T253-P255 WeakPolarHBondContact O-CD 3.42Å; T253-P255 WeakPolarHBondContact O-CG 3.5Å; T253-P255 VanDerWaalsContact O-N 3.14Å
254K64.9Low69.6Low84 Ų8484.9 Ų84.937%0.36545%0.451SS..  trans-66.9101.2174.4-70.5165.5-173.4160.20110E252 H256 T264 F265E252-K254 PolarHBondContact O-N 3.32Å; K254-H256 PolarHBondContact O-N 3.34Å; K254-T264 WeakPolarHBondContact CB-OG1 3.36Å; K254-T264 WeakPolarHBondContact CD-OG1 3.43Å; K254-F265 CarbonylContact C-O 3.6Å
255P68.1Low69.8Low85 Ų8582 Ų8255%0.55244%0.437SS*.  trans-73.7-29.2-162.7-16.932.2000112.9T253 K257 F265T253-P255 WeakPolarHBondContact O-CD 3.42Å; T253-P255 WeakPolarHBondContact O-CG 3.5Å; T253-P255 VanDerWaalsContact O-N 3.14Å; P255-K257 PolarHBondContact O-N 3.48Å; P255-F265 WeakPolarHBondContact CD-O 3.49Å
256H69.9Low69.8Low67 Ų6780.3 Ų80.331%0.3143%0.431SS..EExtended strand (participates in β ladder)trans-94.585.8-168.8-56-70.9000110.1K254 F265 N267 S268 L271K254-H256 PolarHBondContact O-N 3.34Å; H256-F265 HydrophobicContact CB-CB 4.37Å; H256-F265 WeakPolarHBondContact CB-O 3.37Å; H256-F265 PolarHBondContact N-O 2.94Å; H256-F265 VanDerWaalsContact N-O 3.12Å; H256-F265 PolarHBondContact O-N 3.42Å; H256-N267 VanDerWaalsContact CD2-C 3.41Å; H256-S268 PolarHBondContact CD2-N 2.94Å; H256-S268 PolarHBondContact NE2-N 2.97Å; H256-L271 HydrophobicContact CB-CB 3.99Å; H256-L271 HydrophobicContact CB-CD2 3.76Å; H256-L271 HydrophobicContact CB-CG 4.48Å
257K73.4Confident69.8Low156 Ų15680.2 Ų80.268%0.67843%0.432SS*.EExtended strand (participates in β ladder)trans-73.4145.3174.6-49.7-158.8178.2-179.90111P255 T264 L271P255-K257 PolarHBondContact O-N 3.48Å; K257-T264 HydrophobicContact CB-CG2 4.15Å; K257-T264 HydrophobicContact CD-CG2 4.07Å; K257-T264 HydrophobicContact CG-CG2 3.7Å; K257-L271 WeakPolarHBondContact O-CD2 3.43Å
258C78.1Confident70Confident11 Ų1181.3 Ų81.37%0.07444%0.44CS..  trans-81.5133.3173.6-171.50000111.4H260 K263 F265 L271 H274 H278C258-H260 PolarHBondContact O-N 3.47Å; C258-K263 WeakPolarHBondContact CB-O 3.36Å; C258-K263 PolarHBondContact N-O 3.31Å; C258-F265 HydrophobicContact CB-CE2 4.43Å; C258-L271 HydrophobicContact CB-CD1 3.8Å; C258-H274 VanDerWaalsContact SG-CD2 3.57Å; C258-H278 VanDerWaalsContact SG-CD2 3.58Å; C258-H278 PolarHBondContact SG-NE2 2.96Å; C258-H278 VanDerWaalsContact SG-NE2 3.41Å
259P72.4Confident70.3Confident99 Ų9980.7 Ų80.764%0.64345%0.447SS*.THydrogen-bonded Turntrans-70.6-12.9176.828.2-35.5000113.8
260H73.4Confident70.8Confident119 Ų11984 Ų8455%0.55145%0.451SS*.THydrogen-bonded Turntrans-112.4-3.7-176-53.1-58.5000114.2C258 H278C258-H260 PolarHBondContact O-N 3.47Å; H260-H278 HydrophobicContact CB-CB 4.1Å; H260-H278 AromaticContact CD2-CG 3.98Å
261C80.1Confident71.5Confident43 Ų4381.3 Ų81.329%0.29144%0.439SS..SBendtrans-163.2164.5172.769.80000112.2K263 H274 H278C261-K263 PolarHBondContact O-N 2.94Å; C261-H274 PolarHBondContact SG-NE2 2.96Å; C261-H278 PolarHBondContact SG-NE2 2.95Å
262S75.9Confident72.2Confident123 Ų12381 Ų8186%0.8644%0.443SS*.SBendtrans-65.19.2179.752.90000116.1
263K72.4Confident73.2Confident127 Ų12775 Ų7555%0.55242%0.415SS*.  trans-84.1130.3-179.2-63.1-171.1178.6-171.40111.6C258 C261 F265C258-K263 WeakPolarHBondContact CB-O 3.36Å; C258-K263 PolarHBondContact N-O 3.31Å; C261-K263 PolarHBondContact O-N 2.94Å; K263-F265 HydrophobicContact CB-CE2 3.82Å; K263-F265 HydrophobicContact CB-CZ 3.94Å
264T74.3Confident74.5Confident51 Ų5170.7 Ų70.731%0.31339%0.387SS..EExtended strand (participates in β ladder)trans-114.6146.1179.362.90000110.7K254 K257K254-T264 WeakPolarHBondContact CB-OG1 3.36Å; K254-T264 WeakPolarHBondContact CD-OG1 3.43Å; K257-T264 HydrophobicContact CB-CG2 4.15Å; K257-T264 HydrophobicContact CD-CG2 4.07Å; K257-T264 HydrophobicContact CG-CG2 3.7Å
265F75.6Confident75.2Confident43 Ų4369.2 Ų69.219%0.18938%0.383CS..EExtended strand (participates in β ladder)trans-128.4143.4-172.9-61-89.6000111.5K254 P255 H256 C258 K263 N267 L271 H274K254-F265 CarbonylContact C-O 3.6Å; P255-F265 WeakPolarHBondContact CD-O 3.49Å; H256-F265 HydrophobicContact CB-CB 4.37Å; H256-F265 WeakPolarHBondContact CB-O 3.37Å; H256-F265 PolarHBondContact N-O 2.94Å; H256-F265 VanDerWaalsContact N-O 3.12Å; H256-F265 PolarHBondContact O-N 3.42Å; C258-F265 HydrophobicContact CB-CE2 4.43Å; K263-F265 HydrophobicContact CB-CE2 3.82Å; K263-F265 HydrophobicContact CB-CZ 3.94Å; F265-N267 PolarHBondContact O-N 2.95Å; F265-L271 HydrophobicContact CB-CB 4.25Å; F265-L271 HydrophobicContact CD2-CB 4.1Å; F265-L271 HydrophobicContact CD2-CD1 3.9Å; F265-L271 HydrophobicContact CE2-CD1 4.19Å; F265-L271 HydrophobicContact CG-CB 4.32Å; F265-H274 HydrophobicContact CE1-CB 4Å; F265-H274 HydrophobicContact CE2-CB 3.87Å; F265-H274 AromaticContact CE2-CD2 3.38Å; F265-H274 WeakPolarHBondContact CE2-CD2 3.45Å; F265-H274 AromaticContact CE2-CG 3.64Å; F265-H274 HydrophobicContact CZ-CB 3.51Å; F265-H274 AromaticContact CZ-CD2 3.44Å; F265-H274 VanDerWaalsContact CZ-CD2 3.44Å; F265-H274 WeakPolarHBondContact CZ-CD2 3.42Å; F265-H274 AromaticContact CZ-CG 3.25Å; F265-H274 AromaticContact CZ-ND1 3.79Å
266A70.1Confident75.8Confident18 Ų1868 Ų6815%0.14937%0.367CS..SBendtrans-74-11.317800000114K248K248-A266 HydrophobicContact CB-CB 3.94Å; K248-A266 VanDerWaalsContact O-CB 3.31Å; K248-A266 WeakPolarHBondContact O-CB 3.43Å
267N73.6Confident76.1Confident30 Ų3068.7 Ų68.716%0.1637%0.373CS..SBendtrans-147.8138.5-177.2-174.4-4.7000110.7I245 H256 F265 S269 Y270 L271I245-N267 WeakPolarHBondContact CD1-ND2 3.43Å; I245-N267 HydrophobicContact CG2-CB 4.28Å; H256-N267 VanDerWaalsContact CD2-C 3.41Å; F265-N267 PolarHBondContact O-N 2.95Å; N267-S269 VanDerWaalsContact C-N 3.28Å; N267-S269 PolarHBondContact O-N 3.47Å; N267-S269 PolarHBondContact OD1-N 2.93Å; N267-Y270 HydrophobicContact CB-CD2 3.86Å; N267-Y270 HydrophobicContact CB-CE2 4.45Å; N267-Y270 PolarHBondContact O-N 3.46Å; N267-L271 PolarHBondContact O-N 3.31Å; N267-L271 VanDerWaalsContact O-N 3.15Å
268S74.3Confident76.2Confident62 Ų6264.9 Ų64.943%0.43436%0.357SS..Hα-helixtrans-57.8-36.5176.356.10000112.5H256 Y270 L271 A272H256-S268 PolarHBondContact CD2-N 2.94Å; H256-S268 PolarHBondContact NE2-N 2.97Å; S268-Y270 VanDerWaalsContact C-N 3.32Å; S268-Y270 PolarHBondContact O-N 3.35Å; S268-L271 CarbonylContact O-C 3.45Å; S268-L271 PolarHBondContact O-N 3.48Å; S268-L271 VanDerWaalsContact O-N 3.14Å; S268-A272 WeakPolarHBondContact O-CB 3.5Å; S268-A272 PolarHBondContact O-N 3.44Å
269S75.3Confident76.1Confident77 Ų7768 Ų6854%0.53838%0.379SS..Hα-helixtrans-62.5-35.9177.2-59.70000113N267 Q273N267-S269 VanDerWaalsContact C-N 3.28Å; N267-S269 PolarHBondContact O-N 3.47Å; N267-S269 PolarHBondContact OD1-N 2.93Å; S269-Q273 WeakPolarHBondContact O-CB 3.34Å; S269-Q273 PolarHBondContact O-N 3.37Å
270Y76.3Confident76.1Confident127 Ų12765 Ų6550%0.49837%0.366SS..Hα-helixtrans-75.1-35.4173.6-67.7-49.4000111.9I245 N267 S268 Q273 H274I245-Y270 HydrophobicContact CG2-CE2 4.05Å; N267-Y270 HydrophobicContact CB-CD2 3.86Å; N267-Y270 HydrophobicContact CB-CE2 4.45Å; N267-Y270 PolarHBondContact O-N 3.46Å; S268-Y270 VanDerWaalsContact C-N 3.32Å; S268-Y270 PolarHBondContact O-N 3.35Å; Y270-Q273 PolarHBondContact O-N 2.96Å; Y270-H274 WeakPolarHBondContact O-CB 3.44Å; Y270-H274 PolarHBondContact O-N 3.44Å
271L78.9Confident76.1Confident23 Ų2361.2 Ų61.212%0.1236%0.355CS..Hα-helixtrans-61.9-46.9170.9172.760.5000111.3H256 K257 C258 F265 N267 S268 Q273 H274 I275H256-L271 HydrophobicContact CB-CB 3.99Å; H256-L271 HydrophobicContact CB-CD2 3.76Å; H256-L271 HydrophobicContact CB-CG 4.48Å; K257-L271 WeakPolarHBondContact O-CD2 3.43Å; C258-L271 HydrophobicContact CB-CD1 3.8Å; F265-L271 HydrophobicContact CB-CB 4.25Å; F265-L271 HydrophobicContact CD2-CB 4.1Å; F265-L271 HydrophobicContact CD2-CD1 3.9Å; F265-L271 HydrophobicContact CE2-CD1 4.19Å; F265-L271 HydrophobicContact CG-CB 4.32Å; N267-L271 PolarHBondContact O-N 3.31Å; N267-L271 VanDerWaalsContact O-N 3.15Å; S268-L271 CarbonylContact O-C 3.45Å; S268-L271 PolarHBondContact O-N 3.48Å; S268-L271 VanDerWaalsContact O-N 3.14Å; L271-Q273 VanDerWaalsContact C-N 3.31Å; L271-Q273 PolarHBondContact O-N 2.95Å; L271-H274 CarbonylContact O-C 3.58Å; L271-H274 WeakPolarHBondContact O-CA 3.47Å; L271-H274 WeakPolarHBondContact O-CB 3.34Å; L271-H274 PolarHBondContact O-N 2.95Å; L271-I275 HydrophobicContact CD1-CD1 3.86Å; L271-I275 HydrophobicContact CD1-CG1 3.88Å; L271-I275 HydrophobicContact CD2-CD1 4.37Å; L271-I275 HydrophobicContact CG-CD1 3.8Å; L271-I275 HydrophobicContact CG-CG1 4.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.37Å; L271-I275 PolarHBondContact O-N 2.9Å
272A77.3Confident76.1Confident57 Ų5764.9 Ų64.947%0.47137%0.366SS..Hα-helixtrans-62.4-37.5177.200000112.1S268 H274S268-A272 WeakPolarHBondContact O-CB 3.5Å; S268-A272 PolarHBondContact O-N 3.44Å; A272-H274 VanDerWaalsContact C-N 3.33Å
273Q78.8Confident76.3Confident63 Ų6362.6 Ų62.629%0.29435%0.349SS..Hα-helixtrans-65.2-35.1170.4-168.5-176.989.200112.5S269 Y270 L271 Q295S269-Q273 WeakPolarHBondContact O-CB 3.34Å; S269-Q273 PolarHBondContact O-N 3.37Å; Y270-Q273 PolarHBondContact O-N 2.96Å; L271-Q273 VanDerWaalsContact C-N 3.31Å; L271-Q273 PolarHBondContact O-N 2.95Å; Q273-Q295 HydrophobicContact CG-CG 4.32Å
274H80.8Confident76.6Confident20 Ų2060.3 Ų60.39%0.09334%0.337CS..Hα-helixtrans-74-36.2176.2-179.761.6000113.5C258 C261 F265 Y270 L271 A272 R276 I277 H278C258-H274 VanDerWaalsContact SG-CD2 3.57Å; C261-H274 PolarHBondContact SG-NE2 2.96Å; F265-H274 HydrophobicContact CE1-CB 4Å; F265-H274 HydrophobicContact CE2-CB 3.87Å; F265-H274 AromaticContact CE2-CD2 3.38Å; F265-H274 WeakPolarHBondContact CE2-CD2 3.45Å; F265-H274 AromaticContact CE2-CG 3.64Å; F265-H274 HydrophobicContact CZ-CB 3.51Å; F265-H274 AromaticContact CZ-CD2 3.44Å; F265-H274 VanDerWaalsContact CZ-CD2 3.44Å; F265-H274 WeakPolarHBondContact CZ-CD2 3.42Å; F265-H274 AromaticContact CZ-CG 3.25Å; F265-H274 AromaticContact CZ-ND1 3.79Å; Y270-H274 WeakPolarHBondContact O-CB 3.44Å; Y270-H274 PolarHBondContact O-N 3.44Å; L271-H274 CarbonylContact O-C 3.58Å; L271-H274 WeakPolarHBondContact O-CA 3.47Å; L271-H274 WeakPolarHBondContact O-CB 3.34Å; L271-H274 PolarHBondContact O-N 2.95Å; A272-H274 VanDerWaalsContact C-N 3.33Å; H274-R276 PolarHBondContact O-N 3.37Å; H274-I277 WeakPolarHBondContact O-CA 3.5Å; H274-I277 WeakPolarHBondContact O-CB 3.34Å; H274-I277 WeakPolarHBondContact O-CG1 3.35Å; H274-I277 PolarHBondContact O-N 3.37Å; H274-H278 AromaticContact CD2-NE2 3.8Å; H274-H278 AromaticContact CE1-NE2 3.72Å; H274-H278 AromaticContact NE2-CD2 3.86Å; H274-H278 AromaticContact NE2-NE2 3.07Å; H274-H278 PolarHBondContact NE2-NE2 3.43Å
275I79.6Confident76.9Confident52 Ų5261 Ų6127%0.26734%0.344SS..Hα-helixtrans-61.3-33.2178.2-71.6166.7000111.2L271 I277 H278 S279L271-I275 HydrophobicContact CD1-CD1 3.86Å; L271-I275 HydrophobicContact CD1-CG1 3.88Å; L271-I275 HydrophobicContact CD2-CD1 4.37Å; L271-I275 HydrophobicContact CG-CD1 3.8Å; L271-I275 HydrophobicContact CG-CG1 4.29Å; L271-I275 WeakPolarHBondContact O-CG1 3.37Å; L271-I275 PolarHBondContact O-N 2.9Å; I275-I277 PolarHBondContact O-N 3.26Å; I275-H278 PolarHBondContact O-N 2.96Å; I275-S279 PolarHBondContact O-N 3.42Å; I275-S279 PolarHBondContact O-OG 3.44Å
276R81.2Confident77.1Confident59 Ų5959.5 Ų59.522%0.22334%0.339CS..Hα-helixtrans-59.3-12.3169.5-70.3-174.4-79.9-167.3-7.6114.4H274 A281 R294H274-R276 PolarHBondContact O-N 3.37Å; R276-A281 HydrophobicContact CG-CB 4.29Å; R276-R294 PolarHBondContact NH1-O 2.87Å; R276-R294 WeakPolarHBondContact O-CD 3.43Å; R276-R294 PolarHBondContact O-NE 2.95Å
277I77.3Confident77.4Confident83 Ų8365.7 Ų65.743%0.42637%0.37SS..Hα-helixtrans-74.7-45169.7-56.6-172.8000110.8H274 I275 R294H274-I277 WeakPolarHBondContact O-CA 3.5Å; H274-I277 WeakPolarHBondContact O-CB 3.34Å; H274-I277 WeakPolarHBondContact O-CG1 3.35Å; H274-I277 PolarHBondContact O-N 3.37Å; I275-I277 PolarHBondContact O-N 3.26Å; I277-R294 PolarHBondContact O-NH2 3.45Å
278H75.1Confident77.4Confident75 Ų7571.2 Ų71.235%0.34739%0.392SS..Hα-helixtrans-75.4-47-178.1-59.6-69.8000112.4C258 H260 C261 H274 I275 G280C258-H278 VanDerWaalsContact SG-CD2 3.58Å; C258-H278 PolarHBondContact SG-NE2 2.96Å; C258-H278 VanDerWaalsContact SG-NE2 3.41Å; H260-H278 HydrophobicContact CB-CB 4.1Å; H260-H278 AromaticContact CD2-CG 3.98Å; C261-H278 PolarHBondContact SG-NE2 2.95Å; H274-H278 AromaticContact CD2-NE2 3.8Å; H274-H278 AromaticContact CE1-NE2 3.72Å; H274-H278 AromaticContact NE2-CD2 3.86Å; H274-H278 AromaticContact NE2-NE2 3.07Å; H274-H278 PolarHBondContact NE2-NE2 3.43Å; I275-H278 PolarHBondContact O-N 2.96Å; H278-G280 PolarHBondContact O-N 2.95Å; H278-G280 VanDerWaalsContact O-N 3.08Å
279S75.8Confident77.5Confident78 Ų7870.2 Ų70.255%0.54539%0.385SS..THydrogen-bonded Turntrans-73.22.8179650000114.4I275 A281I275-S279 PolarHBondContact O-N 3.42Å; I275-S279 PolarHBondContact O-OG 3.44Å; S279-A281 PolarHBondContact O-N 3.33Å
280G72.6Confident77.7Confident36 Ų3676 Ų7637%0.37140%0.403SS..  trans66.9-14.4-175.200000115.5H278 K282H278-G280 PolarHBondContact O-N 2.95Å; H278-G280 VanDerWaalsContact O-N 3.08Å; G280-K282 WeakPolarHBondContact O-CG 3.42Å; G280-K282 PolarHBondContact O-N 3.39Å
281A73.8Confident77.8Confident39 Ų3975.6 Ų75.632%0.32240%0.404SS..  trans-55.2123.2-166.600000113.6R276 S279R276-A281 HydrophobicContact CG-CB 4.29Å; S279-A281 PolarHBondContact O-N 3.33Å
282K79.3Confident78Confident119 Ų11976.4 Ų76.452%0.51741%0.412SS..  trans-122.879.9-179.2-71.5153.4168.5-178.30109.8G280 Y284 S292 F293 R294G280-K282 WeakPolarHBondContact O-CG 3.42Å; G280-K282 PolarHBondContact O-N 3.39Å; K282-Y284 PolarHBondContact O-N 2.98Å; K282-Y284 VanDerWaalsContact O-N 3.07Å; K282-S292 VanDerWaalsContact CD-O 3.26Å; K282-S292 WeakPolarHBondContact CD-O 3.5Å; K282-S292 WeakPolarHBondContact CG-O 3.27Å; K282-F293 CarbonylContact C-O 3.28Å; K282-F293 VanDerWaalsContact CA-O 3.26Å; K282-F293 WeakPolarHBondContact CA-O 3.49Å; K282-R294 HydrophobicContact CG-CG 4.17Å
283P79.8Confident78.2Confident76 Ų7676 Ų7649%0.49440%0.399SS..  trans-68.6-8.7-170.8-20.734.5000115.1
284Y78.6Confident78.3Confident78 Ų7877.2 Ų77.231%0.30640%0.401SS..EExtended strand (participates in β ladder)trans-116.882.1-173.3-51.8-74.8000109.5K282 S292 F293 L296K282-Y284 PolarHBondContact O-N 2.98Å; K282-Y284 VanDerWaalsContact O-N 3.07Å; Y284-S292 WeakPolarHBondContact O-CA 3.49Å; Y284-F293 PolarHBondContact N-O 3.36Å; Y284-F293 PolarHBondContact O-N 2.82Å; Y284-L296 HydrophobicContact CD1-CB 4.04Å; Y284-L296 HydrophobicContact CD1-CD1 4Å; Y284-L296 HydrophobicContact CE1-CB 3.91Å; Y284-L296 HydrophobicContact CE1-CD1 4.4Å; Y284-L296 HydrophobicContact CE2-CB 4.48Å; Y284-L296 HydrophobicContact CG-CB 4.39Å
285S80.4Confident78.3Confident67 Ų6778.5 Ų78.547%0.46941%0.407SS..EExtended strand (participates in β ladder)trans-64.7156.3171.143.20000111.8S292 L299S285-S292 WeakPolarHBondContact CA-OG 2.88Å; S285-S292 WeakPolarHBondContact CB-OG 3.27Å; S285-L299 WeakPolarHBondContact O-CD1 3.35Å; S285-L299 WeakPolarHBondContact O-CD2 3.36Å
286C81.2Confident78.3Confident10 Ų1080 Ų807%0.06842%0.415CS..EExtended strand (participates in β ladder)trans-99.6130.3169.4-165.10000110.1F288 C289 K291 L299 H306C286-F288 PolarHBondContact O-N 3.28Å; C286-C289 WeakPolarHBondContact CB-O 3.37Å; C286-K291 WeakPolarHBondContact CB-O 3.42Å; C286-K291 PolarHBondContact N-O 2.89Å; C286-L299 HydrophobicContact CB-CD1 3.71Å; C286-H306 PolarHBondContact SG-CD2 2.93Å
287N76.8Confident78.1Confident149 Ų14979.9 Ų79.980%0.79742%0.424SS*.THydrogen-bonded Turntrans-72.6-8.4-179.8-59.513.1000112.9
288F71.9Confident78.3Confident145 Ų14579.8 Ų79.864%0.63642%0.421SS*.THydrogen-bonded Turntrans-109.3-8.9-176.9-55.8-72.8000113.7C286 H306C286-F288 PolarHBondContact O-N 3.28Å; F288-H306 HydrophobicContact CB-CB 3.88Å; F288-H306 VanDerWaalsContact CB-CG 3.49Å; F288-H306 HydrophobicContact CD2-CB 4.03Å; F288-H306 HydrophobicContact CG-CB 4Å
289C78.1Confident78.6Confident41 Ų4177.3 Ų77.328%0.27741%0.411SS..EExtended strand (participates in β ladder)trans-167.8165.1165.571.30000111.7C286 K291 H302 H306C286-C289 WeakPolarHBondContact CB-O 3.37Å; C289-K291 PolarHBondContact O-N 3.32Å; C289-H302 PolarHBondContact SG-NE2 3.46Å; C289-H302 VanDerWaalsContact SG-NE2 3.4Å; C289-H306 PolarHBondContact SG-CE1 3.32Å; C289-H306 PolarHBondContact SG-NE2 3.29Å
290E79.4Confident78.8Confident199 Ų19978.6 Ų78.693%0.9341%0.408SS*.EExtended strand (participates in β ladder)trans-58.96.1-177.6-58.8168.3-174.600116.5S292E290-S292 PolarHBondContact O-N 3.4Å
291K77.1Confident78.9Confident119 Ų11980.3 Ų80.352%0.51741%0.406SS..EExtended strand (participates in β ladder)trans-84.1104.8-177.7-66.8176.2-175.9169.90110.5C286 C289 F293C286-K291 WeakPolarHBondContact CB-O 3.42Å; C286-K291 PolarHBondContact N-O 2.89Å; C289-K291 PolarHBondContact O-N 3.32Å; K291-F293 HydrophobicContact CB-CE2 3.92Å; K291-F293 HydrophobicContact CB-CZ 4.11Å; K291-F293 WeakPolarHBondContact O-CD2 3.34Å; K291-F293 WeakPolarHBondContact O-CE2 3.24Å
292S83.2Confident79.2Confident39 Ų3979.4 Ų79.427%0.27340%0.395SS..EExtended strand (participates in β ladder)trans-99.6143.1173.6-49.70000113K282 Y284 S285 E290K282-S292 VanDerWaalsContact CD-O 3.26Å; K282-S292 WeakPolarHBondContact CD-O 3.5Å; K282-S292 WeakPolarHBondContact CG-O 3.27Å; Y284-S292 WeakPolarHBondContact O-CA 3.49Å; S285-S292 WeakPolarHBondContact CA-OG 2.88Å; S285-S292 WeakPolarHBondContact CB-OG 3.27Å; E290-S292 PolarHBondContact O-N 3.4Å
293F82.3Confident78.8Confident49 Ų4975.8 Ų75.822%0.21538%0.383CS..EExtended strand (participates in β ladder)trans-117.9154.6-170.6-63.5-92.3000112.8K282 Y284 K291 H298 L299 H302K282-F293 CarbonylContact C-O 3.28Å; K282-F293 VanDerWaalsContact CA-O 3.26Å; K282-F293 WeakPolarHBondContact CA-O 3.49Å; Y284-F293 PolarHBondContact N-O 3.36Å; Y284-F293 PolarHBondContact O-N 2.82Å; K291-F293 HydrophobicContact CB-CE2 3.92Å; K291-F293 HydrophobicContact CB-CZ 4.11Å; K291-F293 WeakPolarHBondContact O-CD2 3.34Å; K291-F293 WeakPolarHBondContact O-CE2 3.24Å; F293-H298 HydrophobicContact CB-CB 4.38Å; F293-H298 HydrophobicContact CD1-CB 3.89Å; F293-H298 HydrophobicContact CG-CB 4.39Å; F293-L299 HydrophobicContact CB-CB 4.38Å; F293-L299 HydrophobicContact CD2-CB 4.2Å; F293-L299 HydrophobicContact CD2-CD1 3.97Å; F293-L299 HydrophobicContact CE2-CD1 4.31Å; F293-L299 HydrophobicContact CG-CB 4.45Å; F293-H302 HydrophobicContact CE1-CB 4.11Å; F293-H302 HydrophobicContact CE2-CB 3.71Å; F293-H302 AromaticContact CE2-CD2 3.26Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.44Å; F293-H302 AromaticContact CE2-CG 3.54Å; F293-H302 HydrophobicContact CZ-CB 3.46Å; F293-H302 VanDerWaalsContact CZ-CB 3.46Å; F293-H302 AromaticContact CZ-CD2 3.47Å; F293-H302 VanDerWaalsContact CZ-CD2 3.47Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.23Å; F293-H302 AromaticContact CZ-CG 3.3Å; F293-H302 AromaticContact CZ-ND1 3.92Å
294R80.9Confident78.4Confident89 Ų8977.9 Ų77.934%0.33638%0.381SS..SBendtrans-83.7-10.9178-63.2-178.5168.4135.1-6.3114R276 I277 K282R276-R294 PolarHBondContact NH1-O 2.87Å; R276-R294 WeakPolarHBondContact O-CD 3.43Å; R276-R294 PolarHBondContact O-NE 2.95Å; I277-R294 PolarHBondContact O-NH2 3.45Å; K282-R294 HydrophobicContact CG-CG 4.17Å
295Q80.7Confident77.8Confident47 Ų4779.1 Ų79.122%0.2239%0.392CS..SBendtrans-143.9142.2-177.7-55.9-178.213.600110.4Q273 S297 H298 L299Q273-Q295 HydrophobicContact CG-CG 4.32Å; Q295-S297 PolarHBondContact O-N 2.96Å; Q295-S297 PolarHBondContact OE1-OG 3.47Å; Q295-H298 VanDerWaalsContact CD-CE1 3.45Å; Q295-H298 PolarHBondContact O-N 3Å; Q295-H298 PolarHBondContact OE1-CE1 2.95Å; Q295-H298 VanDerWaalsContact OE1-CE1 3.26Å; Q295-L299 PolarHBondContact O-N 3.4Å
296L79.1Confident77Confident82 Ų8277.8 Ų77.843%0.42938%0.379SS..Hα-helixtrans-63.9-37.9178.8-178.259.7000112.6Y284 H298 L299 Q300Y284-L296 HydrophobicContact CD1-CB 4.04Å; Y284-L296 HydrophobicContact CD1-CD1 4Å; Y284-L296 HydrophobicContact CE1-CB 3.91Å; Y284-L296 HydrophobicContact CE1-CD1 4.4Å; Y284-L296 HydrophobicContact CE2-CB 4.48Å; Y284-L296 HydrophobicContact CG-CB 4.39Å; L296-H298 VanDerWaalsContact C-N 3.3Å; L296-H298 PolarHBondContact O-N 2.96Å; L296-L299 HydrophobicContact CD1-CD2 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.33Å; L296-L299 PolarHBondContact O-N 3.33Å; L296-L299 VanDerWaalsContact O-N 3.12Å; L296-Q300 HydrophobicContact CD1-CG 4.4Å; L296-Q300 HydrophobicContact CG-CG 4.39Å; L296-Q300 WeakPolarHBondContact O-CG 3.26Å; L296-Q300 PolarHBondContact O-N 3.11Å
297S77.8Confident75.8Confident58 Ų5880.3 Ų80.341%0.40640%0.396SS..Hα-helixtrans-55.8-41.6174.3500000112.9Q295 Q300 Q301Q295-S297 PolarHBondContact O-N 2.96Å; Q295-S297 PolarHBondContact OE1-OG 3.47Å; S297-Q300 PolarHBondContact O-N 3.35Å; S297-Q301 PolarHBondContact O-N 3.17Å
298H81Confident74.6Confident81 Ų8179 Ų7938%0.37538%0.383SS..Hα-helixtrans-71.9-35.6176.3-63.6147.7000112.2F293 Q295 L296 Q301 H302F293-H298 HydrophobicContact CB-CB 4.38Å; F293-H298 HydrophobicContact CD1-CB 3.89Å; F293-H298 HydrophobicContact CG-CB 4.39Å; Q295-H298 VanDerWaalsContact CD-CE1 3.45Å; Q295-H298 PolarHBondContact O-N 3Å; Q295-H298 PolarHBondContact OE1-CE1 2.95Å; Q295-H298 VanDerWaalsContact OE1-CE1 3.26Å; L296-H298 VanDerWaalsContact C-N 3.3Å; L296-H298 PolarHBondContact O-N 2.96Å; H298-Q301 PolarHBondContact O-N 3.05Å; H298-H302 WeakPolarHBondContact O-CB 3.49Å; H298-H302 PolarHBondContact O-N 3.32Å
299L81.6Confident73.5Confident23 Ų2379.4 Ų79.412%0.1239%0.389CS..Hα-helixtrans-63-46.7170.2175.362.7000111S285 C286 F293 Q295 L296 Q301 H302 T303S285-L299 WeakPolarHBondContact O-CD1 3.35Å; S285-L299 WeakPolarHBondContact O-CD2 3.36Å; C286-L299 HydrophobicContact CB-CD1 3.71Å; F293-L299 HydrophobicContact CB-CB 4.38Å; F293-L299 HydrophobicContact CD2-CB 4.2Å; F293-L299 HydrophobicContact CD2-CD1 3.97Å; F293-L299 HydrophobicContact CE2-CD1 4.31Å; F293-L299 HydrophobicContact CG-CB 4.45Å; Q295-L299 PolarHBondContact O-N 3.4Å; L296-L299 HydrophobicContact CD1-CD2 4.31Å; L296-L299 WeakPolarHBondContact O-CB 3.33Å; L296-L299 PolarHBondContact O-N 3.33Å; L296-L299 VanDerWaalsContact O-N 3.12Å; L299-Q301 PolarHBondContact O-N 2.99Å; L299-H302 CarbonylContact O-C 3.53Å; L299-H302 WeakPolarHBondContact O-CA 3.34Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 3.5Å; L299-T303 HydrophobicContact CD1-CG2 3.94Å; L299-T303 HydrophobicContact CG-CG2 4.26Å; L299-T303 PolarHBondContact O-N 3.08Å; L299-T303 PolarHBondContact O-OG1 3.29Å
300Q78.8Confident72.1Confident104 Ų10485.6 Ų85.649%0.48641%0.413SS..Hα-helixtrans-64.2-24.4176.1-70.9170.9-25.200113.3L296 S297 T303 R304L296-Q300 HydrophobicContact CD1-CG 4.4Å; L296-Q300 HydrophobicContact CG-CG 4.39Å; L296-Q300 WeakPolarHBondContact O-CG 3.26Å; L296-Q300 PolarHBondContact O-N 3.11Å; S297-Q300 PolarHBondContact O-N 3.35Å; Q300-T303 PolarHBondContact O-OG1 2.81Å; Q300-R304 PolarHBondContact O-NE 3.44Å; Q300-R304 PolarHBondContact O-NH2 2.83Å
301Q75.1Confident70.4Confident73 Ų7381.1 Ų81.134%0.34140%0.4SS..Hα-helixtrans-76.7-34.4168.1-171.5178.63.800111.9S297 H298 L299S297-Q301 PolarHBondContact O-N 3.17Å; H298-Q301 PolarHBondContact O-N 3.05Å; L299-Q301 PolarHBondContact O-N 2.99Å
302H79.4Confident69.2Low19 Ų1984.5 Ų84.59%0.08842%0.418CS..Hα-helixtrans-77.6-38.6179.9-17955.3000113.9C289 F293 H298 L299 R304 I305 H306C289-H302 PolarHBondContact SG-NE2 3.46Å; C289-H302 VanDerWaalsContact SG-NE2 3.4Å; F293-H302 HydrophobicContact CE1-CB 4.11Å; F293-H302 HydrophobicContact CE2-CB 3.71Å; F293-H302 AromaticContact CE2-CD2 3.26Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.44Å; F293-H302 AromaticContact CE2-CG 3.54Å; F293-H302 HydrophobicContact CZ-CB 3.46Å; F293-H302 VanDerWaalsContact CZ-CB 3.46Å; F293-H302 AromaticContact CZ-CD2 3.47Å; F293-H302 VanDerWaalsContact CZ-CD2 3.47Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.23Å; F293-H302 AromaticContact CZ-CG 3.3Å; F293-H302 AromaticContact CZ-ND1 3.92Å; H298-H302 WeakPolarHBondContact O-CB 3.49Å; H298-H302 PolarHBondContact O-N 3.32Å; L299-H302 CarbonylContact O-C 3.53Å; L299-H302 WeakPolarHBondContact O-CA 3.34Å; L299-H302 WeakPolarHBondContact O-CB 3.47Å; L299-H302 PolarHBondContact O-N 3.5Å; H302-R304 PolarHBondContact O-N 3.06Å; H302-I305 WeakPolarHBondContact O-CA 3.48Å; H302-I305 WeakPolarHBondContact O-CB 3.37Å; H302-I305 WeakPolarHBondContact O-CG1 3.24Å; H302-I305 PolarHBondContact O-N 3.24Å; H302-H306 AromaticContact CD2-NE2 3.73Å; H302-H306 AromaticContact CE1-NE2 3.48Å; H302-H306 PolarHBondContact CE1-NE2 3.49Å; H302-H306 AromaticContact NE2-CD2 3.7Å; H302-H306 AromaticContact NE2-CE1 3.99Å; H302-H306 AromaticContact NE2-NE2 2.98Å; H302-H306 PolarHBondContact NE2-NE2 2.76Å
303T72.4Confident67.8Low44 Ų4486.8 Ų86.827%0.2743%0.43SS..Hα-helixtrans-61.6-30.8176.750.70000112.2L299 Q300 I305 H306 S307L299-T303 HydrophobicContact CD1-CG2 3.94Å; L299-T303 HydrophobicContact CG-CG2 4.26Å; L299-T303 PolarHBondContact O-N 3.08Å; L299-T303 PolarHBondContact O-OG1 3.29Å; Q300-T303 PolarHBondContact O-OG1 2.81Å; T303-I305 PolarHBondContact O-N 3.46Å; T303-I305 VanDerWaalsContact O-N 3.12Å; T303-H306 PolarHBondContact O-N 3.4Å; T303-S307 PolarHBondContact O-N 3.46Å
304R70.6Confident66.4Low120 Ų12092.2 Ų92.245%0.45346%0.46SS..Hα-helixtrans-64.7-5.9169.2-74.4-178.7-75.9164.6-9.3115Q300 H302 S307 A327Q300-R304 PolarHBondContact O-NE 3.44Å; Q300-R304 PolarHBondContact O-NH2 2.83Å; H302-R304 PolarHBondContact O-N 3.06Å; R304-S307 WeakPolarHBondContact CA-OG 3.23Å; R304-A327 PolarHBondContact NH1-O 3.18Å
305I66.8Low65.4Low103 Ų10391.5 Ų91.553%0.52846%0.459SS..Hα-helixtrans-90.7-33.3169.5-51.1-179.7000110.3H302 T303 K308H302-I305 WeakPolarHBondContact O-CA 3.48Å; H302-I305 WeakPolarHBondContact O-CB 3.37Å; H302-I305 WeakPolarHBondContact O-CG1 3.24Å; H302-I305 PolarHBondContact O-N 3.24Å; T303-I305 PolarHBondContact O-N 3.46Å; T303-I305 VanDerWaalsContact O-N 3.12Å; I305-K308 WeakPolarHBondContact O-CB 3.43Å; I305-K308 PolarHBondContact O-N 2.97Å
306H62.3Low64.7Low40 Ų4093.4 Ų93.419%0.18548%0.475CS..Hα-helixtrans-76.4-38.5176.7-66.4-66.4000112.4C286 F288 C289 H302 T303 K308 M309C286-H306 PolarHBondContact SG-CD2 2.93Å; F288-H306 HydrophobicContact CB-CB 3.88Å; F288-H306 VanDerWaalsContact CB-CG 3.49Å; F288-H306 HydrophobicContact CD2-CB 4.03Å; F288-H306 HydrophobicContact CG-CB 4Å; C289-H306 PolarHBondContact SG-CE1 3.32Å; C289-H306 PolarHBondContact SG-NE2 3.29Å; H302-H306 AromaticContact CD2-NE2 3.73Å; H302-H306 AromaticContact CE1-NE2 3.48Å; H302-H306 PolarHBondContact CE1-NE2 3.49Å; H302-H306 AromaticContact NE2-CD2 3.7Å; H302-H306 AromaticContact NE2-CE1 3.99Å; H302-H306 AromaticContact NE2-NE2 2.98Å; H302-H306 PolarHBondContact NE2-NE2 2.76Å; T303-H306 PolarHBondContact O-N 3.4Å; H306-K308 PolarHBondContact O-N 3.36Å; H306-M309 PolarHBondContact O-N 2.74Å
307S56.3Low64.3Low62 Ų6292 Ų9243%0.43447%0.466SS..THydrogen-bonded Turntrans-62.8-3.8170.472.70000113.7T303 R304 M309T303-S307 PolarHBondContact O-N 3.46Å; R304-S307 WeakPolarHBondContact CA-OG 3.23Å; S307-M309 VanDerWaalsContact C-N 3.35Å
308K52.5Low64.4Low121 Ų12196 Ų9653%0.52648%0.477SS..THydrogen-bonded Turntrans-88.71.8174.8-160.9-131.4168.7-156.90112.9I305 H306I305-K308 WeakPolarHBondContact O-CB 3.43Å; I305-K308 PolarHBondContact O-N 2.97Å; H306-K308 PolarHBondContact O-N 3.36Å
309M49Very low64.6Low154 Ų15492.2 Ų92.276%0.75946%0.459SS*.THydrogen-bonded Turntrans-112.8-17.4177.3-73.3-168.164.100115H306 S307H306-M309 PolarHBondContact O-N 2.74Å; S307-M309 VanDerWaalsContact C-N 3.35Å
310H48.3Very low64.5Low171 Ų17195.8 Ų95.879%0.79248%0.484SS*.THydrogen-bonded Turntrans-125-9.7-173.5-71.4-69.9000116.1
311T44.2Very low64.6Low106 Ų10696.9 Ų96.965%0.6549%0.489SS*.SBendtrans-142.1150.1171.251.30000112T313T311-T313 PolarHBondContact O-N 3.47Å
312E50.5Low65Low189 Ų18995 Ų9588%0.88348%0.483SS*.SBendtrans-73.283.6-175.8-70.3-113.2122.800112.6
313T53.8Low65.1Low88 Ų8899.2 Ų99.254%0.5452%0.515SS..  trans51.472.3150.4550000119.1T311 K315T311-T313 PolarHBondContact O-N 3.47Å; T313-K315 PolarHBondContact O-N 3.45Å
314I53.7Low65.3Low162 Ų162102.4 Ų102.483%0.83153%0.525SS*.  trans-80.175.9145-53.8179.8000109P316I314-P316 WeakPolarHBondContact O-CD 3.49Å
315K59.7Low65.7Low74 Ų7498.8 Ų98.832%0.32252%0.517SS..  trans-99.592.7158.8-75.7174166.3-167.70107.1T313 H317 T325T313-K315 PolarHBondContact O-N 3.45Å; K315-H317 PolarHBondContact O-N 3.23Å; K315-T325 WeakPolarHBondContact CD-O 3.35Å; K315-T325 WeakPolarHBondContact CD-OG1 3.4Å; K315-T325 PolarHBondContact NZ-O 3.27Å; K315-T325 PolarHBondContact NZ-OG1 3.15Å; K315-T325 VanDerWaalsContact NZ-OG1 3.15Å
316P65.3Low66.2Low87 Ų8795.9 Ų95.957%0.56550%0.5SS*.  trans-68-8.5-162.124.4-33.5000115.1I314I314-P316 WeakPolarHBondContact O-CD 3.49Å
317H71.8Confident66.8Low52 Ų5296 Ų9624%0.24151%0.508CS..EExtended strand (participates in β ladder)trans-114.283-174.7-52.9-56.7000111.1K315 F326 N328 T329 L332K315-H317 PolarHBondContact O-N 3.23Å; H317-F326 HydrophobicContact CB-CB 4.43Å; H317-F326 PolarHBondContact O-N 3.45Å; H317-N328 WeakPolarHBondContact CD2-CA 3.35Å; H317-T329 PolarHBondContact CD2-N 3.13Å; H317-T329 VanDerWaalsContact CE1-CG2 3.41Å; H317-T329 WeakPolarHBondContact CE1-CG2 3.31Å; H317-L332 HydrophobicContact CB-CB 4.16Å; H317-L332 HydrophobicContact CB-CD2 3.82Å
318K80.1Confident67.7Low143 Ų14394.9 Ų94.962%0.62250%0.497SS*.EExtended strand (participates in β ladder)trans-73.9143.4170.7-170.4-171.3172.8-174.50110.5T325 L332K318-T325 HydrophobicContact CB-CG2 3.96Å; K318-T325 HydrophobicContact CG-CG2 3.95Å; K318-L332 WeakPolarHBondContact O-CD2 3.49Å
319C84.9Confident69Low1 Ų193.2 Ų93.21%0.00750%0.497CS..  trans-75.6133.6166.6-173.80000110.7H321 C322 K324 F326 L332 H335 H339C319-H321 VanDerWaalsContact C-N 3.3Å; C319-H321 PolarHBondContact O-N 3.04Å; C319-H321 PolarHBondContact SG-N 3.13Å; C319-C322 WeakPolarHBondContact CB-O 3.3Å; C319-K324 WeakPolarHBondContact CB-O 3.48Å; C319-K324 PolarHBondContact N-O 2.86Å; C319-F326 HydrophobicContact CB-CE2 4.36Å; C319-L332 HydrophobicContact CB-CD1 3.99Å; C319-H335 VanDerWaalsContact SG-CD2 3.58Å; C319-H335 PolarHBondContact SG-NE2 3.23Å; C319-H339 PolarHBondContact SG-NE2 3.01Å
320P78.4Confident70.5Confident99 Ų9989.6 Ų89.664%0.64349%0.487SS*.THydrogen-bonded Turntrans-66.5-32.1173.426-33.5000112.4L336P320-L336 HydrophobicContact CG-CD2 4.1Å
321H80.6Confident72.1Confident126 Ų12686.8 Ų86.858%0.58347%0.47SS*.THydrogen-bonded Turntrans-93.2-4.1-173.9-52.2-63.2000114.9C319 H339C319-H321 VanDerWaalsContact C-N 3.3Å; C319-H321 PolarHBondContact O-N 3.04Å; C319-H321 PolarHBondContact SG-N 3.13Å; H321-H339 HydrophobicContact CB-CB 4.23Å; H321-H339 AromaticContact CD2-CG 3.89Å; H321-H339 PolarHBondContact O-CE1 3.43Å
322C84.5Confident74Confident33 Ų3382.9 Ų82.922%0.22345%0.445CS..SBendtrans-162.3166.4173.368.80000112.7C319 K324 H335 H339C319-C322 WeakPolarHBondContact CB-O 3.3Å; C322-K324 PolarHBondContact O-N 3.36Å; C322-H335 PolarHBondContact SG-NE2 3.19Å; C322-H339 WeakPolarHBondContact CB-CE1 3.17Å; C322-H339 PolarHBondContact SG-CE1 3.3Å; C322-H339 PolarHBondContact SG-NE2 2.97Å
323S80.9Confident75.5Confident109 Ų10976.6 Ų76.676%0.76243%0.425SS*.SBendtrans-64.40179.553.80000115.8T325S323-T325 PolarHBondContact O-N 2.87Å
324K77.4Confident76.9Confident110 Ų11075.2 Ų75.248%0.47841%0.413SS..  trans-77.3123.9-176.3-61.6-170.1179.2-171.70111.6C319 C322 F326C319-K324 WeakPolarHBondContact CB-O 3.48Å; C319-K324 PolarHBondContact N-O 2.86Å; C322-K324 PolarHBondContact O-N 3.36Å; K324-F326 HydrophobicContact CB-CE2 3.84Å; K324-F326 HydrophobicContact CB-CZ 3.91Å; K324-F326 WeakPolarHBondContact O-CE2 3.02Å
325T77.9Confident78.5Confident45 Ų4568.4 Ų68.428%0.27638%0.378SS..EExtended strand (participates in β ladder)trans-110.5137.9178.844.80000111.7K315 K318 S323K315-T325 WeakPolarHBondContact CD-O 3.35Å; K315-T325 WeakPolarHBondContact CD-OG1 3.4Å; K315-T325 PolarHBondContact NZ-O 3.27Å; K315-T325 PolarHBondContact NZ-OG1 3.15Å; K315-T325 VanDerWaalsContact NZ-OG1 3.15Å; K318-T325 HydrophobicContact CB-CG2 3.96Å; K318-T325 HydrophobicContact CG-CG2 3.95Å; S323-T325 PolarHBondContact O-N 2.87Å
326F78.7Confident79.7Confident42 Ų4267.5 Ų67.518%0.18438%0.376CS..EExtended strand (participates in β ladder)trans-119.8154.5-170.9-61.5-88.8000112.5H317 C319 K324 L332 H335H317-F326 HydrophobicContact CB-CB 4.43Å; H317-F326 PolarHBondContact O-N 3.45Å; C319-F326 HydrophobicContact CB-CE2 4.36Å; K324-F326 HydrophobicContact CB-CE2 3.84Å; K324-F326 HydrophobicContact CB-CZ 3.91Å; K324-F326 WeakPolarHBondContact O-CE2 3.02Å; F326-L332 HydrophobicContact CB-CB 4.25Å; F326-L332 HydrophobicContact CD2-CB 4.16Å; F326-L332 HydrophobicContact CD2-CD1 3.92Å; F326-L332 HydrophobicContact CE2-CD1 4.21Å; F326-L332 HydrophobicContact CG-CB 4.32Å; F326-H335 HydrophobicContact CE1-CB 3.92Å; F326-H335 HydrophobicContact CE2-CB 3.97Å; F326-H335 AromaticContact CE2-CD2 3.37Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.4Å; F326-H335 AromaticContact CE2-CG 3.64Å; F326-H335 HydrophobicContact CZ-CB 3.52Å; F326-H335 AromaticContact CZ-CD2 3.45Å; F326-H335 VanDerWaalsContact CZ-CD2 3.45Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.34Å; F326-H335 AromaticContact CZ-CG 3.24Å; F326-H335 AromaticContact CZ-ND1 3.7Å
327A75.1Confident80.7Confident43 Ų4366.1 Ų66.136%0.35536%0.36SS..SBendtrans-84.8-11.1-175.800000114.6R304R304-A327 PolarHBondContact NH1-O 3.18Å
328N75.4Confident81.2Confident37 Ų3767.4 Ų67.420%0.19837%0.367CS..SBendtrans-151.5165.3174.365.413.1000110.7H317 S330 Y331 L332H317-N328 WeakPolarHBondContact CD2-CA 3.35Å; N328-S330 VanDerWaalsContact C-N 3.32Å; N328-S330 PolarHBondContact O-N 2.95Å; N328-S330 PolarHBondContact OD1-N 3.15Å; N328-Y331 WeakPolarHBondContact ND2-CD2 3.43Å; N328-Y331 VanDerWaalsContact OD1-CB 3.24Å; N328-Y331 WeakPolarHBondContact OD1-CB 3.27Å; N328-Y331 WeakPolarHBondContact OD1-CD2 3.29Å; N328-Y331 VanDerWaalsContact OD1-CG 3.24Å; N328-Y331 PolarHBondContact OD1-N 2.93Å; N328-L332 PolarHBondContact O-N 3.2Å
329T79.1Confident81.3Confident87 Ų8764.7 Ų64.753%0.53436%0.357SS..Hα-helixtrans-62.7-36.9175.450.60000112.2H317 Y331 L332 A333H317-T329 PolarHBondContact CD2-N 3.13Å; H317-T329 VanDerWaalsContact CE1-CG2 3.41Å; H317-T329 WeakPolarHBondContact CE1-CG2 3.31Å; T329-Y331 PolarHBondContact O-N 3.48Å; T329-L332 PolarHBondContact O-N 2.84Å; T329-A333 WeakPolarHBondContact O-CB 3.39Å; T329-A333 PolarHBondContact O-N 2.72Å
330S79.9Confident81.2Confident77 Ų7768.7 Ų68.754%0.53839%0.385SS..Hα-helixtrans-64.4-41.4-175.4-41.30000113.4N328 Q334N328-S330 VanDerWaalsContact C-N 3.32Å; N328-S330 PolarHBondContact O-N 2.95Å; N328-S330 PolarHBondContact OD1-N 3.15Å; S330-Q334 WeakPolarHBondContact O-CB 3.4Å; S330-Q334 PolarHBondContact O-N 2.64Å
331Y81.8Confident81.4Confident112 Ų11265.5 Ų65.544%0.43937%0.37SS..Hα-helixtrans-73.3-33.1174.6-65.1-47.5000111.8N328 T329 Q334 H335N328-Y331 WeakPolarHBondContact ND2-CD2 3.43Å; N328-Y331 VanDerWaalsContact OD1-CB 3.24Å; N328-Y331 WeakPolarHBondContact OD1-CB 3.27Å; N328-Y331 WeakPolarHBondContact OD1-CD2 3.29Å; N328-Y331 VanDerWaalsContact OD1-CG 3.24Å; N328-Y331 PolarHBondContact OD1-N 2.93Å; T329-Y331 PolarHBondContact O-N 3.48Å; Y331-Q334 PolarHBondContact O-N 3.41Å; Y331-H335 VanDerWaalsContact O-CB 3.28Å; Y331-H335 WeakPolarHBondContact O-CB 3.47Å; Y331-H335 PolarHBondContact O-N 3.29Å
332L83.8Confident81.5Confident25 Ų2561.5 Ų61.513%0.13136%0.359CS..Hα-helixtrans-62.5-49.2170.4173.859.2000110.9H317 K318 C319 F326 N328 T329 Q334 H335 L336H317-L332 HydrophobicContact CB-CB 4.16Å; H317-L332 HydrophobicContact CB-CD2 3.82Å; K318-L332 WeakPolarHBondContact O-CD2 3.49Å; C319-L332 HydrophobicContact CB-CD1 3.99Å; F326-L332 HydrophobicContact CB-CB 4.25Å; F326-L332 HydrophobicContact CD2-CB 4.16Å; F326-L332 HydrophobicContact CD2-CD1 3.92Å; F326-L332 HydrophobicContact CE2-CD1 4.21Å; F326-L332 HydrophobicContact CG-CB 4.32Å; N328-L332 PolarHBondContact O-N 3.2Å; T329-L332 PolarHBondContact O-N 2.84Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.93Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 WeakPolarHBondContact O-CA 3.49Å; L332-H335 WeakPolarHBondContact O-CB 3.35Å; L332-H335 PolarHBondContact O-N 2.86Å; L332-L336 HydrophobicContact CD1-CD1 4.4Å; L332-L336 HydrophobicContact CD1-CD2 4.44Å; L332-L336 HydrophobicContact CD1-CG 4.07Å; L332-L336 HydrophobicContact CG-CD1 4.23Å; L332-L336 HydrophobicContact CG-CG 4.37Å; L332-L336 WeakPolarHBondContact O-CG 3.13Å; L332-L336 PolarHBondContact O-N 3.46Å
333A82.6Confident81.6Confident56 Ų5665.1 Ų65.146%0.46337%0.371SS..Hα-helixtrans-60.5-38.7176.400000112.3T329 H335 L336T329-A333 WeakPolarHBondContact O-CB 3.39Å; T329-A333 PolarHBondContact O-N 2.72Å; A333-H335 VanDerWaalsContact C-N 3.32Å; A333-H335 PolarHBondContact O-N 2.24Å; A333-L336 PolarHBondContact O-N 3.35Å
334Q83.9Confident81.8Confident60 Ų6063.7 Ų63.728%0.2836%0.359SS..Hα-helixtrans-64.5-35.4172.1178.217565.600112.7S330 Y331 L332 Q356S330-Q334 WeakPolarHBondContact O-CB 3.4Å; S330-Q334 PolarHBondContact O-N 2.64Å; Y331-Q334 PolarHBondContact O-N 3.41Å; L332-Q334 VanDerWaalsContact C-N 3.3Å; L332-Q334 PolarHBondContact O-N 2.93Å; Q334-Q356 HydrophobicContact CG-CG 4.43Å
335H86Confident82.3Confident19 Ų1962 Ų629%0.08835%0.35CS..Hα-helixtrans-75.1-35.7176.5172.866.8000113.3C319 C322 F326 Y331 L332 A333 R337 I338 H339C319-H335 VanDerWaalsContact SG-CD2 3.58Å; C319-H335 PolarHBondContact SG-NE2 3.23Å; C322-H335 PolarHBondContact SG-NE2 3.19Å; F326-H335 HydrophobicContact CE1-CB 3.92Å; F326-H335 HydrophobicContact CE2-CB 3.97Å; F326-H335 AromaticContact CE2-CD2 3.37Å; F326-H335 WeakPolarHBondContact CE2-CD2 3.4Å; F326-H335 AromaticContact CE2-CG 3.64Å; F326-H335 HydrophobicContact CZ-CB 3.52Å; F326-H335 AromaticContact CZ-CD2 3.45Å; F326-H335 VanDerWaalsContact CZ-CD2 3.45Å; F326-H335 WeakPolarHBondContact CZ-CD2 3.34Å; F326-H335 AromaticContact CZ-CG 3.24Å; F326-H335 AromaticContact CZ-ND1 3.7Å; Y331-H335 VanDerWaalsContact O-CB 3.28Å; Y331-H335 WeakPolarHBondContact O-CB 3.47Å; Y331-H335 PolarHBondContact O-N 3.29Å; L332-H335 CarbonylContact O-C 3.55Å; L332-H335 WeakPolarHBondContact O-CA 3.49Å; L332-H335 WeakPolarHBondContact O-CB 3.35Å; L332-H335 PolarHBondContact O-N 2.86Å; A333-H335 VanDerWaalsContact C-N 3.32Å; A333-H335 PolarHBondContact O-N 2.24Å; H335-R337 PolarHBondContact O-N 3.07Å; H335-I338 WeakPolarHBondContact O-CA 3.49Å; H335-I338 WeakPolarHBondContact O-CB 3.3Å; H335-I338 WeakPolarHBondContact O-CG1 3.47Å; H335-I338 PolarHBondContact O-N 2.8Å; H335-H339 AromaticContact CD2-NE2 3.17Å; H335-H339 PolarHBondContact CD2-NE2 2.78Å; H335-H339 AromaticContact CE1-NE2 2.77Å; H335-H339 PolarHBondContact CE1-NE2 3.45Å; H335-H339 AromaticContact ND1-NE2 3.88Å; H335-H339 AromaticContact NE2-CD2 3.67Å; H335-H339 AromaticContact NE2-NE2 2.13Å; H335-H339 PolarHBondContact NE2-NE2 3.41Å
336L84.9Confident82.8Confident55 Ų5564.7 Ų64.729%0.28836%0.363SS..Hα-helixtrans-58.3-31.9177.7-76.1171.9000112.4P320 L332 A333 I338 H339 S340P320-L336 HydrophobicContact CG-CD2 4.1Å; L332-L336 HydrophobicContact CD1-CD1 4.4Å; L332-L336 HydrophobicContact CD1-CD2 4.44Å; L332-L336 HydrophobicContact CD1-CG 4.07Å; L332-L336 HydrophobicContact CG-CD1 4.23Å; L332-L336 HydrophobicContact CG-CG 4.37Å; L332-L336 WeakPolarHBondContact O-CG 3.13Å; L332-L336 PolarHBondContact O-N 3.46Å; A333-L336 PolarHBondContact O-N 3.35Å; L336-I338 PolarHBondContact O-N 3.02Å; L336-I338 VanDerWaalsContact O-N 3.09Å; L336-H339 PolarHBondContact O-N 2.88Å; L336-S340 PolarHBondContact O-N 2.62Å; L336-S340 PolarHBondContact O-OG 3.45Å
337R86.1Confident83.3Confident58 Ų5863 Ų6322%0.21936%0.356CS..Hα-helixtrans-60.3-13.5170.4-67.4-170.8-71.8-144.4-5.8114.7H335 G341 A342 R355H335-R337 PolarHBondContact O-N 3.07Å; R337-G341 CarbonylContact O-C 3.51Å; R337-A342 HydrophobicContact CG-CB 4.27Å; R337-A342 PolarHBondContact O-N 3.18Å; R337-R355 VanDerWaalsContact CZ-O 3.29Å; R337-R355 PolarHBondContact NE-O 2.85Å; R337-R355 WeakPolarHBondContact O-CD 3.28Å; R337-R355 PolarHBondContact O-NE 3.24Å
338I83.5Confident83.8Confident78 Ų7866 Ų6640%0.437%0.374SS..Hα-helixtrans-71.3-53.6169-57.8-176.1000109.3H335 L336 G341 R355H335-I338 WeakPolarHBondContact O-CA 3.49Å; H335-I338 WeakPolarHBondContact O-CB 3.3Å; H335-I338 WeakPolarHBondContact O-CG1 3.47Å; H335-I338 PolarHBondContact O-N 2.8Å; L336-I338 PolarHBondContact O-N 3.02Å; L336-I338 VanDerWaalsContact O-N 3.09Å; I338-G341 PolarHBondContact O-N 3.48Å; I338-R355 PolarHBondContact O-NH2 3.27Å
339H82.9Confident84.2Confident86 Ų8670.8 Ų70.840%0.39839%0.39SS..Hα-helixtrans-67.8-47-177.9-60.5-72000112.9C319 H321 C322 H335 L336 G341C319-H339 PolarHBondContact SG-NE2 3.01Å; H321-H339 HydrophobicContact CB-CB 4.23Å; H321-H339 AromaticContact CD2-CG 3.89Å; H321-H339 PolarHBondContact O-CE1 3.43Å; C322-H339 WeakPolarHBondContact CB-CE1 3.17Å; C322-H339 PolarHBondContact SG-CE1 3.3Å; C322-H339 PolarHBondContact SG-NE2 2.97Å; H335-H339 AromaticContact CD2-NE2 3.17Å; H335-H339 PolarHBondContact CD2-NE2 2.78Å; H335-H339 AromaticContact CE1-NE2 2.77Å; H335-H339 PolarHBondContact CE1-NE2 3.45Å; H335-H339 AromaticContact ND1-NE2 3.88Å; H335-H339 AromaticContact NE2-CD2 3.67Å; H335-H339 AromaticContact NE2-NE2 2.13Å; H335-H339 PolarHBondContact NE2-NE2 3.41Å; L336-H339 PolarHBondContact O-N 2.88Å; H339-G341 PolarHBondContact O-N 3.18Å
340S82.4Confident84.5Confident86 Ų8668 Ų6860%0.60137%0.374SS*.THydrogen-bonded Turntrans-750.8177.866.40000114.3L336 A342L336-S340 PolarHBondContact O-N 2.62Å; L336-S340 PolarHBondContact O-OG 3.45Å; S340-A342 PolarHBondContact O-N 2.8Å; S340-A342 WeakPolarHBondContact OG-CB 3.5Å
341G82.4Confident84.7Confident32 Ų3273.3 Ų73.333%0.3339%0.39SS..  trans66.1-9.9-175.200000115.7R337 I338 H339 K343R337-G341 CarbonylContact O-C 3.51Å; I338-G341 PolarHBondContact O-N 3.48Å; H339-G341 PolarHBondContact O-N 3.18Å; G341-K343 WeakPolarHBondContact O-CG 3.34Å; G341-K343 PolarHBondContact O-N 3.09Å
342A82.1Confident84.9Confident42 Ų4274.1 Ų74.135%0.34740%0.396SS..  trans-58.2117.4-165.900000113.8R337 S340 P344R337-A342 HydrophobicContact CG-CB 4.27Å; R337-A342 PolarHBondContact O-N 3.18Å; S340-A342 PolarHBondContact O-N 2.8Å; S340-A342 WeakPolarHBondContact OG-CB 3.5Å; A342-P344 VanDerWaalsContact O-CD 3.32Å; A342-P344 WeakPolarHBondContact O-CD 3.42Å
343K86.4Confident85.2Confident109 Ų10974.6 Ų74.647%0.47440%0.403SS..  trans-118.377.9-178.9-71.4152.9173.8179.10110.3G341 Y345 N346 A353 F354 R355G341-K343 WeakPolarHBondContact O-CG 3.34Å; G341-K343 PolarHBondContact O-N 3.09Å; K343-Y345 PolarHBondContact O-N 2.81Å; K343-N346 PolarHBondContact O-OD1 2.84Å; K343-A353 HydrophobicContact CB-CB 3.59Å; K343-A353 HydrophobicContact CD-CB 4.12Å; K343-A353 WeakPolarHBondContact CD-O 3.5Å; K343-A353 HydrophobicContact CG-CB 4.38Å; K343-A353 WeakPolarHBondContact CG-O 3.3Å; K343-F354 CarbonylContact C-O 3.58Å; K343-F354 VanDerWaalsContact C-O 3.28Å; K343-F354 VanDerWaalsContact CA-O 3.28Å; K343-F354 WeakPolarHBondContact CA-O 3.37Å; K343-R355 HydrophobicContact CG-CG 3.9Å
344P85.4Confident85.4Confident78 Ų7874 Ų7451%0.50639%0.39SS..  trans-76.53.3-173.431.2-36.1000114.8A342A342-P344 VanDerWaalsContact O-CD 3.32Å; A342-P344 WeakPolarHBondContact O-CD 3.42Å
345Y87.3Confident85.5Confident76 Ų7675.4 Ų75.430%0.29839%0.393SS..EExtended strand (participates in β ladder)trans-11892.1-177.1-60.4-73.6000110.7K343 F354 Q356 L357K343-Y345 PolarHBondContact O-N 2.81Å; Y345-F354 PolarHBondContact N-O 3.2Å; Y345-F354 PolarHBondContact O-N 3.17Å; Y345-Q356 VanDerWaalsContact CD2-C 3.41Å; Y345-L357 HydrophobicContact CD1-CB 3.91Å; Y345-L357 HydrophobicContact CD1-CD1 3.88Å; Y345-L357 HydrophobicContact CD1-CG 4.45Å; Y345-L357 HydrophobicContact CE1-CB 3.7Å; Y345-L357 HydrophobicContact CE1-CD1 4.15Å; Y345-L357 HydrophobicContact CE1-CG 4.34Å; Y345-L357 HydrophobicContact CE2-CB 4.34Å; Y345-L357 HydrophobicContact CG-CB 4.32Å
346N88.6Confident85.5Confident101 Ų10176.7 Ų76.754%0.5440%0.399SS..EExtended strand (participates in β ladder)trans-83.2145.5179-65.21.4000111.1K343 A353 L360K343-N346 PolarHBondContact O-OD1 2.84Å; N346-A353 WeakPolarHBondContact OD1-CB 3.38Å; N346-L360 VanDerWaalsContact O-CD2 3.27Å; N346-L360 WeakPolarHBondContact O-CD2 3.27Å
347C89Confident85.6Confident6 Ų677.8 Ų77.84%0.04141%0.405CS..  trans-82.6137.2169.8-172.10000110.5C350 K352 F354 L360 H363 H367C347-C350 CarbonylContact C-O 3.53Å; C347-C350 WeakPolarHBondContact CB-O 3.47Å; C347-K352 PolarHBondContact N-O 2.8Å; C347-K352 VanDerWaalsContact N-O 3.07Å; C347-F354 HydrophobicContact CB-CE2 4.38Å; C347-L360 HydrophobicContact CB-CD1 3.63Å; C347-H363 VanDerWaalsContact SG-CD2 3.56Å; C347-H367 PolarHBondContact SG-NE2 3.33Å; C347-H367 VanDerWaalsContact SG-NE2 3.41Å
348S86.3Confident85.5Confident105 Ų10577.8 Ų77.873%0.73441%0.414SS*.SBendtrans-72.6-30.3175.647.50000112.7
349Y84.3Confident85.7Confident139 Ų13978 Ų7855%0.54541%0.413SS..SBendtrans-87.4-14.7-176.3-58.2-79.2000113.9T364 H367 T368Y349-T364 HydrophobicContact CD2-CG2 4.41Å; Y349-H367 VanDerWaalsContact CB-CG 3.44Å; Y349-H367 HydrophobicContact CD1-CB 4.33Å; Y349-H367 HydrophobicContact CD2-CB 3.92Å; Y349-H367 HydrophobicContact CG-CB 3.78Å; Y349-H367 AromaticContact CG-CG 3.93Å; Y349-T368 HydrophobicContact CE2-CG2 4.5Å
350C84.9Confident86.1Confident29 Ų2975 Ų7520%0.19640%0.4CS..SBendtrans-161.3156170.970.20000111.3C347 K352 H363 H367C347-C350 CarbonylContact C-O 3.53Å; C347-C350 WeakPolarHBondContact CB-O 3.47Å; C350-K352 PolarHBondContact O-N 3.02Å; C350-H363 PolarHBondContact SG-NE2 3.01Å; C350-H363 VanDerWaalsContact SG-NE2 3.36Å; C350-H367 WeakPolarHBondContact CB-CE1 3.32Å; C350-H367 PolarHBondContact SG-CE1 2.85Å; C350-H367 PolarHBondContact SG-NE2 3.37Å
351Q85.3Confident86.2Confident188 Ų18875.9 Ų75.988%0.87940%0.395SS*.SBendtrans-71.431.5-175.5-54-64.77.600114.9
352K85.3Confident86.4Confident129 Ų12977.8 Ų77.856%0.56140%0.395SS*.  trans-90.6120.4174.1-66.2-174.3-171-62.10110.2C347 C350 F354C347-K352 PolarHBondContact N-O 2.8Å; C347-K352 VanDerWaalsContact N-O 3.07Å; C350-K352 PolarHBondContact O-N 3.02Å; K352-F354 HydrophobicContact CB-CE2 3.89Å; K352-F354 HydrophobicContact CB-CZ 4.14Å; K352-F354 WeakPolarHBondContact O-CD2 3.5Å; K352-F354 VanDerWaalsContact O-CE2 3.3Å; K352-F354 WeakPolarHBondContact O-CE2 3.3Å
353A88.8Confident86.7Confident34 Ų3476.9 Ų76.928%0.28138%0.383SS..EExtended strand (participates in β ladder)trans-102.2139.5178.500000112.4K343 N346K343-A353 HydrophobicContact CB-CB 3.59Å; K343-A353 HydrophobicContact CD-CB 4.12Å; K343-A353 WeakPolarHBondContact CD-O 3.5Å; K343-A353 HydrophobicContact CG-CB 4.38Å; K343-A353 WeakPolarHBondContact CG-O 3.3Å; N346-A353 WeakPolarHBondContact OD1-CB 3.38Å
354F87.5Confident86.8Confident44 Ų4473.4 Ų73.419%0.19337%0.371CS..EExtended strand (participates in β ladder)trans-119.1148.5-173-63.6-92.2000112.7K343 Y345 C347 K352 Q356 H359 L360 H363K343-F354 CarbonylContact C-O 3.58Å; K343-F354 VanDerWaalsContact C-O 3.28Å; K343-F354 VanDerWaalsContact CA-O 3.28Å; K343-F354 WeakPolarHBondContact CA-O 3.37Å; Y345-F354 PolarHBondContact N-O 3.2Å; Y345-F354 PolarHBondContact O-N 3.17Å; C347-F354 HydrophobicContact CB-CE2 4.38Å; K352-F354 HydrophobicContact CB-CE2 3.89Å; K352-F354 HydrophobicContact CB-CZ 4.14Å; K352-F354 WeakPolarHBondContact O-CD2 3.5Å; K352-F354 VanDerWaalsContact O-CE2 3.3Å; K352-F354 WeakPolarHBondContact O-CE2 3.3Å; F354-Q356 VanDerWaalsContact C-N 3.31Å; F354-Q356 PolarHBondContact O-N 3.45Å; F354-H359 HydrophobicContact CB-CB 4.46Å; F354-H359 HydrophobicContact CD1-CB 3.96Å; F354-L360 HydrophobicContact CB-CB 4.38Å; F354-L360 HydrophobicContact CD2-CB 4.21Å; F354-L360 HydrophobicContact CD2-CD1 4.06Å; F354-L360 HydrophobicContact CE2-CD1 4.32Å; F354-L360 HydrophobicContact CG-CB 4.4Å; F354-H363 HydrophobicContact CE1-CB 4.02Å; F354-H363 HydrophobicContact CE2-CB 4.05Å; F354-H363 AromaticContact CE2-CD2 3.35Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.48Å; F354-H363 AromaticContact CE2-CG 3.75Å; F354-H363 HydrophobicContact CZ-CB 3.56Å; F354-H363 AromaticContact CZ-CD2 3.4Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.5Å; F354-H363 AromaticContact CZ-CG 3.31Å; F354-H363 AromaticContact CZ-ND1 3.94Å
355R86.6Confident86.9Confident89 Ų8972.7 Ų72.734%0.33636%0.358SS..SBendtrans-77.8-11.4176.7-65.1178.8170128.9-13.1113.8R337 I338 K343R337-R355 VanDerWaalsContact CZ-O 3.29Å; R337-R355 PolarHBondContact NE-O 2.85Å; R337-R355 WeakPolarHBondContact O-CD 3.28Å; R337-R355 PolarHBondContact O-NE 3.24Å; I338-R355 PolarHBondContact O-NH2 3.27Å; K343-R355 HydrophobicContact CG-CG 3.9Å
356Q85.8Confident86.8Confident46 Ų4674.6 Ų74.622%0.21537%0.373CS..SBendtrans-146.5140-175.8-52-171.119.100111.4Q334 Y345 F354 S358 H359 L360Q334-Q356 HydrophobicContact CG-CG 4.43Å; Y345-Q356 VanDerWaalsContact CD2-C 3.41Å; F354-Q356 VanDerWaalsContact C-N 3.31Å; F354-Q356 PolarHBondContact O-N 3.45Å; Q356-S358 VanDerWaalsContact C-N 3.31Å; Q356-S358 WeakPolarHBondContact CB-OG 3.32Å; Q356-S358 PolarHBondContact O-N 3Å; Q356-S358 PolarHBondContact OE1-OG 3.24Å; Q356-H359 HydrophobicContact CB-CB 4.46Å; Q356-H359 PolarHBondContact O-N 3.35Å; Q356-H359 VanDerWaalsContact O-N 3.17Å; Q356-L360 PolarHBondContact O-N 3.12Å
357L86.5Confident86.6Confident78 Ų7874 Ų7441%0.40837%0.366SS..Hα-helixtrans-61.5-37.4177.3-177.359000112.6Y345 H359 L360 Q361Y345-L357 HydrophobicContact CD1-CB 3.91Å; Y345-L357 HydrophobicContact CD1-CD1 3.88Å; Y345-L357 HydrophobicContact CD1-CG 4.45Å; Y345-L357 HydrophobicContact CE1-CB 3.7Å; Y345-L357 HydrophobicContact CE1-CD1 4.15Å; Y345-L357 HydrophobicContact CE1-CG 4.34Å; Y345-L357 HydrophobicContact CE2-CB 4.34Å; Y345-L357 HydrophobicContact CG-CB 4.32Å; L357-H359 VanDerWaalsContact C-N 3.29Å; L357-H359 PolarHBondContact O-N 3.07Å; L357-L360 HydrophobicContact CD1-CD2 4.3Å; L357-L360 WeakPolarHBondContact O-CB 3.41Å; L357-L360 PolarHBondContact O-N 2.92Å; L357-Q361 HydrophobicContact CD1-CG 4.34Å; L357-Q361 HydrophobicContact CG-CG 4.36Å; L357-Q361 WeakPolarHBondContact O-CB 3.33Å; L357-Q361 WeakPolarHBondContact O-CG 3.38Å; L357-Q361 PolarHBondContact O-N 3.02Å
358S85.1Confident86.3Confident59 Ų5977.5 Ų77.541%0.41339%0.388SS..Hα-helixtrans-56.7-39.8174.247.70000112.8Q356 Q362Q356-S358 VanDerWaalsContact C-N 3.31Å; Q356-S358 WeakPolarHBondContact CB-OG 3.32Å; Q356-S358 PolarHBondContact O-N 3Å; Q356-S358 PolarHBondContact OE1-OG 3.24Å; S358-Q362 WeakPolarHBondContact O-CB 3.48Å; S358-Q362 PolarHBondContact O-N 3.37Å
359H87.7Confident86.2Confident82 Ų8274.8 Ų74.838%0.3838%0.376SS..Hα-helixtrans-74.3-35.7178-61.8174.9000111.4F354 Q356 L357 Q362 H363F354-H359 HydrophobicContact CB-CB 4.46Å; F354-H359 HydrophobicContact CD1-CB 3.96Å; Q356-H359 HydrophobicContact CB-CB 4.46Å; Q356-H359 PolarHBondContact O-N 3.35Å; Q356-H359 VanDerWaalsContact O-N 3.17Å; L357-H359 VanDerWaalsContact C-N 3.29Å; L357-H359 PolarHBondContact O-N 3.07Å; H359-Q362 PolarHBondContact O-N 2.84Å; H359-H363 VanDerWaalsContact O-CB 3.3Å; H359-H363 WeakPolarHBondContact O-CB 3.49Å; H359-H363 PolarHBondContact O-N 3.19Å
360L89.8Confident86.2Confident22 Ų2271.6 Ų71.612%0.11537%0.369CS..Hα-helixtrans-62.4-49.4170.4173.159.3000111.2N346 C347 F354 Q356 L357 Q362 H363 T364N346-L360 VanDerWaalsContact O-CD2 3.27Å; N346-L360 WeakPolarHBondContact O-CD2 3.27Å; C347-L360 HydrophobicContact CB-CD1 3.63Å; F354-L360 HydrophobicContact CB-CB 4.38Å; F354-L360 HydrophobicContact CD2-CB 4.21Å; F354-L360 HydrophobicContact CD2-CD1 4.06Å; F354-L360 HydrophobicContact CE2-CD1 4.32Å; F354-L360 HydrophobicContact CG-CB 4.4Å; Q356-L360 PolarHBondContact O-N 3.12Å; L357-L360 HydrophobicContact CD1-CD2 4.3Å; L357-L360 WeakPolarHBondContact O-CB 3.41Å; L357-L360 PolarHBondContact O-N 2.92Å; L360-Q362 PolarHBondContact O-N 2.87Å; L360-H363 CarbonylContact O-C 3.48Å; L360-H363 WeakPolarHBondContact O-CA 3.15Å; L360-H363 PolarHBondContact O-N 3.36Å; L360-T364 HydrophobicContact CD1-CG2 3.88Å; L360-T364 HydrophobicContact CG-CG2 4.4Å; L360-T364 PolarHBondContact O-N 3.2Å; L360-T364 PolarHBondContact O-OG1 3.17Å
361Q86.1Confident86.2Confident106 Ų10676.6 Ų76.650%0.49538%0.383SS..Hα-helixtrans-64.1-20.7176.9-72.6177-18.200114.3L357 T364 R365L357-Q361 HydrophobicContact CD1-CG 4.34Å; L357-Q361 HydrophobicContact CG-CG 4.36Å; L357-Q361 WeakPolarHBondContact O-CB 3.33Å; L357-Q361 WeakPolarHBondContact O-CG 3.38Å; L357-Q361 PolarHBondContact O-N 3.02Å; Q361-T364 PolarHBondContact O-OG1 3.39Å; Q361-R365 PolarHBondContact O-NE 3.5Å; Q361-R365 VanDerWaalsContact O-NE 3.07Å
362Q86.1Confident86.2Confident71 Ų7170.8 Ų70.833%0.33236%0.362SS..Hα-helixtrans-83.9-34.3171.1-177.4-178.480.300111.4S358 H359 L360 Q386S358-Q362 WeakPolarHBondContact O-CB 3.48Å; S358-Q362 PolarHBondContact O-N 3.37Å; H359-Q362 PolarHBondContact O-N 2.84Å; L360-Q362 PolarHBondContact O-N 2.87Å; Q362-Q386 VanDerWaalsContact CD-CD 3.45Å; Q362-Q386 HydrophobicContact CG-CG 4.02Å; Q362-Q386 VanDerWaalsContact NE2-CD 3.26Å
363H89Confident86.2Confident24 Ų2468.4 Ų68.411%0.11135%0.35CS..Hα-helixtrans-75.7-38.6178.1170.860.9000113.1C347 C350 F354 H359 L360 R365 I366 H367C347-H363 VanDerWaalsContact SG-CD2 3.56Å; C350-H363 PolarHBondContact SG-NE2 3.01Å; C350-H363 VanDerWaalsContact SG-NE2 3.36Å; F354-H363 HydrophobicContact CE1-CB 4.02Å; F354-H363 HydrophobicContact CE2-CB 4.05Å; F354-H363 AromaticContact CE2-CD2 3.35Å; F354-H363 WeakPolarHBondContact CE2-CD2 3.48Å; F354-H363 AromaticContact CE2-CG 3.75Å; F354-H363 HydrophobicContact CZ-CB 3.56Å; F354-H363 AromaticContact CZ-CD2 3.4Å; F354-H363 WeakPolarHBondContact CZ-CD2 3.5Å; F354-H363 AromaticContact CZ-CG 3.31Å; F354-H363 AromaticContact CZ-ND1 3.94Å; H359-H363 VanDerWaalsContact O-CB 3.3Å; H359-H363 WeakPolarHBondContact O-CB 3.49Å; H359-H363 PolarHBondContact O-N 3.19Å; L360-H363 CarbonylContact O-C 3.48Å; L360-H363 WeakPolarHBondContact O-CA 3.15Å; L360-H363 PolarHBondContact O-N 3.36Å; H363-R365 PolarHBondContact O-N 3.41Å; H363-I366 VanDerWaalsContact O-CB 3.24Å; H363-I366 WeakPolarHBondContact O-CB 3.45Å; H363-I366 WeakPolarHBondContact O-CG1 3.33Å; H363-I366 PolarHBondContact O-N 3.25Å; H363-H367 AromaticContact CD2-NE2 3.35Å; H363-H367 PolarHBondContact CD2-NE2 2.94Å; H363-H367 VanDerWaalsContact CD2-NE2 3.35Å; H363-H367 AromaticContact CE1-CD2 3.94Å; H363-H367 AromaticContact CE1-NE2 2.72Å; H363-H367 PolarHBondContact CE1-NE2 3.01Å; H363-H367 AromaticContact ND1-NE2 3.86Å; H363-H367 AromaticContact NE2-CD2 3.67Å; H363-H367 AromaticContact NE2-NE2 2.24Å; H363-H367 PolarHBondContact NE2-NE2 2.89Å
364T87.3Confident86.1Confident36 Ų3674.5 Ų74.522%0.22137%0.37CS..Hα-helixtrans-60-29.4178.848.10000112.9Y349 L360 Q361 I366 H367 T368Y349-T364 HydrophobicContact CD2-CG2 4.41Å; L360-T364 HydrophobicContact CD1-CG2 3.88Å; L360-T364 HydrophobicContact CG-CG2 4.4Å; L360-T364 PolarHBondContact O-N 3.2Å; L360-T364 PolarHBondContact O-OG1 3.17Å; Q361-T364 PolarHBondContact O-OG1 3.39Å; T364-I366 PolarHBondContact O-N 3.42Å; T364-I366 VanDerWaalsContact O-N 3.15Å; T364-H367 WeakPolarHBondContact O-CB 3.41Å; T364-H367 PolarHBondContact O-N 2.84Å; T364-T368 PolarHBondContact O-N 3.42Å; T364-T368 PolarHBondContact O-OG1 2.88Å
365R88.1Confident86.1Confident62 Ų6273.1 Ų73.123%0.23437%0.366CS..Hα-helixtrans-58.6-21.7171.5-61.3178.4-156.2-160.4-12114.4Q361 H363 T368 G369 D370 T385Q361-R365 PolarHBondContact O-NE 3.5Å; Q361-R365 VanDerWaalsContact O-NE 3.07Å; H363-R365 PolarHBondContact O-N 3.41Å; R365-T368 WeakPolarHBondContact CA-OG1 3.28Å; R365-G369 CarbonylContact O-C 3.54Å; R365-G369 WeakPolarHBondContact O-CA 3.48Å; R365-G369 PolarHBondContact O-N 2.8Å; R365-G369 VanDerWaalsContact O-N 3.13Å; R365-D370 HydrophobicContact CB-CB 4.32Å; R365-D370 HydrophobicContact CG-CB 4.26Å; R365-D370 PolarHBondContact O-N 3.13Å; R365-T385 HydrophobicContact CB-CG2 4.09Å; R365-T385 PolarHBondContact NH1-O 3.08Å
366I84.6Confident85.9Confident117 Ų11773.8 Ų73.860%0.639%0.39SS*.Hα-helixtrans-73.8-34.8174.9-54.4176.8000110H363 T364H363-I366 VanDerWaalsContact O-CB 3.24Å; H363-I366 WeakPolarHBondContact O-CB 3.45Å; H363-I366 WeakPolarHBondContact O-CG1 3.33Å; H363-I366 PolarHBondContact O-N 3.25Å; T364-I366 PolarHBondContact O-N 3.42Å; T364-I366 VanDerWaalsContact O-N 3.15Å
367H85Confident85.5Confident88 Ų8875.6 Ų75.641%0.40740%0.399SS..Hα-helixtrans-81.5-39.3177.7-63.4-78.3000112.5C347 Y349 C350 H363 T364 G369C347-H367 PolarHBondContact SG-NE2 3.33Å; C347-H367 VanDerWaalsContact SG-NE2 3.41Å; Y349-H367 VanDerWaalsContact CB-CG 3.44Å; Y349-H367 HydrophobicContact CD1-CB 4.33Å; Y349-H367 HydrophobicContact CD2-CB 3.92Å; Y349-H367 HydrophobicContact CG-CB 3.78Å; Y349-H367 AromaticContact CG-CG 3.93Å; C350-H367 WeakPolarHBondContact CB-CE1 3.32Å; C350-H367 PolarHBondContact SG-CE1 2.85Å; C350-H367 PolarHBondContact SG-NE2 3.37Å; H363-H367 AromaticContact CD2-NE2 3.35Å; H363-H367 PolarHBondContact CD2-NE2 2.94Å; H363-H367 VanDerWaalsContact CD2-NE2 3.35Å; H363-H367 AromaticContact CE1-CD2 3.94Å; H363-H367 AromaticContact CE1-NE2 2.72Å; H363-H367 PolarHBondContact CE1-NE2 3.01Å; H363-H367 AromaticContact ND1-NE2 3.86Å; H363-H367 AromaticContact NE2-CD2 3.67Å; H363-H367 AromaticContact NE2-NE2 2.24Å; H363-H367 PolarHBondContact NE2-NE2 2.89Å; T364-H367 WeakPolarHBondContact O-CB 3.41Å; T364-H367 PolarHBondContact O-N 2.84Å; H367-G369 VanDerWaalsContact C-N 3.3Å; H367-G369 PolarHBondContact O-N 3.25Å
368T83.3Confident84.8Confident80 Ų8077.2 Ų77.249%0.49141%0.414SS..SBendtrans-81.9-6177.463.70000113.9Y349 T364 R365 D370Y349-T368 HydrophobicContact CE2-CG2 4.5Å; T364-T368 PolarHBondContact O-N 3.42Å; T364-T368 PolarHBondContact O-OG1 2.88Å; R365-T368 WeakPolarHBondContact CA-OG1 3.28Å; T368-D370 PolarHBondContact O-N 3.34Å; T368-D370 WeakPolarHBondContact OG1-CB 3.48Å
369G83.1Confident84.3Confident47 Ų4778.8 Ų78.849%0.48544%0.439SS..  trans684.8-174.200000115.2R365 H367 R371R365-G369 CarbonylContact O-C 3.54Å; R365-G369 WeakPolarHBondContact O-CA 3.48Å; R365-G369 PolarHBondContact O-N 2.8Å; R365-G369 VanDerWaalsContact O-N 3.13Å; H367-G369 VanDerWaalsContact C-N 3.3Å; H367-G369 PolarHBondContact O-N 3.25Å; G369-R371 WeakPolarHBondContact O-CG 3.47Å; G369-R371 PolarHBondContact O-N 2.88Å; G369-R371 VanDerWaalsContact O-N 3.15Å
370D84.5Confident84.1Confident73 Ų7375.5 Ų75.539%0.3943%0.425SS..  trans-63.7111.6-174.317437.2000112.5R365 T368 P372 T385R365-D370 HydrophobicContact CB-CB 4.32Å; R365-D370 HydrophobicContact CG-CB 4.26Å; R365-D370 PolarHBondContact O-N 3.13Å; T368-D370 PolarHBondContact O-N 3.34Å; T368-D370 WeakPolarHBondContact OG1-CB 3.48Å; D370-P372 VanDerWaalsContact C-CD 3.48Å; D370-P372 WeakPolarHBondContact O-CD 3.48Å; D370-P372 WeakPolarHBondContact OD1-CD 3.3Å; D370-T385 WeakPolarHBondContact O-CG2 3.43Å
371R85.3Confident83.7Confident134 Ų13483.5 Ų83.551%0.50646%0.462SS..  trans-123.569.7-175.9-69.5162.882.4159.63.8109.6G369 Y373 A383 F384 T385G369-R371 WeakPolarHBondContact O-CG 3.47Å; G369-R371 PolarHBondContact O-N 2.88Å; G369-R371 VanDerWaalsContact O-N 3.15Å; R371-Y373 PolarHBondContact O-N 3.05Å; R371-Y373 VanDerWaalsContact O-N 3.17Å; R371-A383 HydrophobicContact CB-CB 3.71Å; R371-A383 VanDerWaalsContact CZ-O 3.24Å; R371-A383 PolarHBondContact NE-O 2.76Å; R371-A383 PolarHBondContact NH2-O 3.2Å; R371-F384 CarbonylContact C-O 3.49Å; R371-F384 VanDerWaalsContact C-O 3.31Å; R371-F384 WeakPolarHBondContact CA-O 3.26Å; R371-T385 HydrophobicContact CG-CG2 3.86Å
372P85Confident83.6Confident66 Ų6684.1 Ų84.143%0.42946%0.463SS..  trans-71-14.5-169.529.5-34.8000113.1D370 K374D370-P372 VanDerWaalsContact C-CD 3.48Å; D370-P372 WeakPolarHBondContact O-CD 3.48Å; D370-P372 WeakPolarHBondContact OD1-CD 3.3Å; P372-K374 PolarHBondContact O-N 2.94Å
373Y85.8Confident83.6Confident79 Ų7981.5 Ų81.531%0.3145%0.454SS..EExtended strand (participates in β ladder)trans-97.680.5179-52.5-70.4000110.3R371 F384 L387R371-Y373 PolarHBondContact O-N 3.05Å; R371-Y373 VanDerWaalsContact O-N 3.17Å; Y373-F384 WeakPolarHBondContact CB-O 3.39Å; Y373-F384 WeakPolarHBondContact CD2-O 3.31Å; Y373-F384 PolarHBondContact N-O 3.36Å; Y373-F384 VanDerWaalsContact N-O 3.17Å; Y373-F384 PolarHBondContact O-N 3.07Å; Y373-L387 HydrophobicContact CD1-CB 4.06Å; Y373-L387 HydrophobicContact CD1-CD1 4.01Å; Y373-L387 HydrophobicContact CD2-CB 4.49Å; Y373-L387 VanDerWaalsContact CD2-N 3.35Å; Y373-L387 HydrophobicContact CE1-CB 3.92Å; Y373-L387 HydrophobicContact CE1-CD1 4.37Å; Y373-L387 HydrophobicContact CE2-CB 4.33Å; Y373-L387 HydrophobicContact CG-CB 4.35Å
374K85.9Confident83.5Confident161 Ų16182.2 Ų82.270%0.746%0.457SS*.EExtended strand (participates in β ladder)trans-72.4145.9172.5-60.9-169.2178.3-174.40111.2P372 A383 L390P372-K374 PolarHBondContact O-N 2.94Å; K374-A383 HydrophobicContact CG-CB 3.98Å; K374-L390 WeakPolarHBondContact O-CD2 3.39Å
375C87.5Confident83.4Confident16 Ų1681.9 Ų81.911%0.10845%0.454CS..  trans-75.3145.3166.7-148.40000109.9K382 L390 H393C375-K382 VanDerWaalsContact CB-O 3.32Å; C375-K382 WeakPolarHBondContact CB-O 3.32Å; C375-K382 PolarHBondContact N-O 3.17Å; C375-L390 HydrophobicContact CB-CD1 3.85Å; C375-H393 VanDerWaalsContact SG-CD2 3.57Å
376A82.5Confident83.2Confident103 Ų10381.3 Ų81.385%0.85146%0.455SS*.  trans-116.623.1-179.500000111.4
377H77.5Confident83.1Confident83 Ų8379.8 Ų79.838%0.38445%0.447SS..SBendtrans-89.5133.1174-169.274.7000108.8G379 C380 H397H377-G379 PolarHBondContact O-N 3.27Å; H377-C380 HydrophobicContact CB-CB 4.45Å; H377-C380 PolarHBondContact O-N 3.29Å; H377-H397 AromaticContact CD2-CD2 3.94Å; H377-H397 AromaticContact CD2-CE1 3.22Å; H377-H397 PolarHBondContact CD2-CE1 3.43Å; H377-H397 AromaticContact CD2-CG 3.44Å; H377-H397 VanDerWaalsContact CD2-CG 3.44Å; H377-H397 AromaticContact CD2-ND1 3.25Å; H377-H397 PolarHBondContact CD2-ND1 2.84Å; H377-H397 AromaticContact CG-CD2 3.76Å; H377-H397 AromaticContact CG-CG 3.58Å; H377-H397 AromaticContact CG-ND1 3.86Å; H377-H397 AromaticContact NE2-CE1 3.42Å; H377-H397 PolarHBondContact NE2-CE1 2.86Å; H377-H397 AromaticContact NE2-CG 3.88Å; H377-H397 AromaticContact NE2-ND1 3.75Å
378P71.8Confident82.9Confident112 Ų11278.1 Ų78.173%0.72745%0.446SS*.THydrogen-bonded Turntrans-55.8140.3178.723.1-33.9000111C380P378-C380 VanDerWaalsContact C-N 3.27Å; P378-C380 PolarHBondContact O-N 2.87Å
379G75.7Confident83Confident92 Ų9277.7 Ų77.795%0.94844%0.44SS*.THydrogen-bonded Turntrans70.212.9-174.900000115.5H377H377-G379 PolarHBondContact O-N 3.27Å
380C81.4Confident83Confident13 Ų1376.3 Ų76.39%0.08842%0.421CS..  trans-133.196.9177.3-153.40000115.6H377 P378 K382 H397H377-C380 HydrophobicContact CB-CB 4.45Å; H377-C380 PolarHBondContact O-N 3.29Å; P378-C380 VanDerWaalsContact C-N 3.27Å; P378-C380 PolarHBondContact O-N 2.87Å; C380-K382 PolarHBondContact O-N 3.26Å; C380-H397 WeakPolarHBondContact CB-NE2 3.4Å; C380-H397 PolarHBondContact SG-NE2 3.5Å
381E82.2Confident82.7Confident191 Ų19178 Ų7889%0.89343%0.427SS*.  trans-79.27.8-179.7-54.3-176.915500114.2A383E381-A383 PolarHBondContact O-N 2.96Å
382K83.8Confident82.4Confident119 Ų11974 Ų7452%0.51742%0.42SS..  trans-68.5117.7-171.8-71.3177.3-178.1170.50111.5C375 C380 F384C375-K382 VanDerWaalsContact CB-O 3.32Å; C375-K382 WeakPolarHBondContact CB-O 3.32Å; C375-K382 PolarHBondContact N-O 3.17Å; C380-K382 PolarHBondContact O-N 3.26Å; K382-F384 HydrophobicContact CB-CE2 3.83Å; K382-F384 HydrophobicContact CB-CZ 3.94Å; K382-F384 VanDerWaalsContact O-CE2 3.28Å; K382-F384 WeakPolarHBondContact O-CE2 3.37Å
383A87Confident82.3Confident16 Ų1671.2 Ų71.213%0.13240%0.401CS..EExtended strand (participates in β ladder)trans-105.7152.5175.800000112.8R371 K374 E381R371-A383 HydrophobicContact CB-CB 3.71Å; R371-A383 VanDerWaalsContact CZ-O 3.24Å; R371-A383 PolarHBondContact NE-O 2.76Å; R371-A383 PolarHBondContact NH2-O 3.2Å; K374-A383 HydrophobicContact CG-CB 3.98Å; E381-A383 PolarHBondContact O-N 2.96Å
384F85.4Confident81.8Confident39 Ų3974.6 Ų74.617%0.17141%0.413CS..EExtended strand (participates in β ladder)trans-133.8147.3-173.8-59.4-91.1000112.6R371 Y373 K382 Q386 N389 L390 H393R371-F384 CarbonylContact C-O 3.49Å; R371-F384 VanDerWaalsContact C-O 3.31Å; R371-F384 WeakPolarHBondContact CA-O 3.26Å; Y373-F384 WeakPolarHBondContact CB-O 3.39Å; Y373-F384 WeakPolarHBondContact CD2-O 3.31Å; Y373-F384 PolarHBondContact N-O 3.36Å; Y373-F384 VanDerWaalsContact N-O 3.17Å; Y373-F384 PolarHBondContact O-N 3.07Å; K382-F384 HydrophobicContact CB-CE2 3.83Å; K382-F384 HydrophobicContact CB-CZ 3.94Å; K382-F384 VanDerWaalsContact O-CE2 3.28Å; K382-F384 WeakPolarHBondContact O-CE2 3.37Å; F384-Q386 VanDerWaalsContact C-N 3.28Å; F384-N389 HydrophobicContact CB-CB 4.26Å; F384-N389 HydrophobicContact CD1-CB 3.77Å; F384-N389 HydrophobicContact CG-CB 4.26Å; F384-L390 HydrophobicContact CB-CB 4.35Å; F384-L390 HydrophobicContact CD2-CB 3.95Å; F384-L390 HydrophobicContact CD2-CD1 3.97Å; F384-L390 HydrophobicContact CE2-CD1 4.18Å; F384-L390 HydrophobicContact CG-CB 4.31Å; F384-H393 HydrophobicContact CE1-CB 4.12Å; F384-H393 HydrophobicContact CE2-CB 3.92Å; F384-H393 AromaticContact CE2-CD2 3.24Å; F384-H393 WeakPolarHBondContact CE2-CD2 3.47Å; F384-H393 AromaticContact CE2-CG 3.71Å; F384-H393 HydrophobicContact CZ-CB 3.51Å; F384-H393 AromaticContact CZ-CD2 3.41Å; F384-H393 VanDerWaalsContact CZ-CD2 3.41Å; F384-H393 WeakPolarHBondContact CZ-CD2 3.49Å; F384-H393 AromaticContact CZ-CG 3.39Å
385T85.6Confident81.2Confident28 Ų2871.1 Ų71.117%0.17240%0.395CS..SBendtrans-74.5-18174.1560000112.9R365 D370 R371R365-T385 HydrophobicContact CB-CG2 4.09Å; R365-T385 PolarHBondContact NH1-O 3.08Å; D370-T385 WeakPolarHBondContact O-CG2 3.43Å; R371-T385 HydrophobicContact CG-CG2 3.86Å
386Q84.7Confident80.4Confident51 Ų5176.3 Ų76.324%0.23842%0.418CS..SBendtrans-134.4141.8-176.1-48.5-173.919.200112.5Q362 F384 S388 N389 L390Q362-Q386 VanDerWaalsContact CD-CD 3.45Å; Q362-Q386 HydrophobicContact CG-CG 4.02Å; Q362-Q386 VanDerWaalsContact NE2-CD 3.26Å; F384-Q386 VanDerWaalsContact C-N 3.28Å; Q386-S388 WeakPolarHBondContact CB-OG 3.48Å; Q386-S388 PolarHBondContact OE1-OG 2.35Å; Q386-N389 HydrophobicContact CB-CB 4.38Å; Q386-N389 PolarHBondContact O-N 3.29Å; Q386-L390 PolarHBondContact O-N 3.31Å
387L83Confident79.9Confident85 Ų8574.3 Ų74.345%0.44539%0.391SS..Hα-helixtrans-66.1-36.8178.1-17960.4000112.9Y373 N389 L390 Q391Y373-L387 HydrophobicContact CD1-CB 4.06Å; Y373-L387 HydrophobicContact CD1-CD1 4.01Å; Y373-L387 HydrophobicContact CD2-CB 4.49Å; Y373-L387 VanDerWaalsContact CD2-N 3.35Å; Y373-L387 HydrophobicContact CE1-CB 3.92Å; Y373-L387 HydrophobicContact CE1-CD1 4.37Å; Y373-L387 HydrophobicContact CE2-CB 4.33Å; Y373-L387 HydrophobicContact CG-CB 4.35Å; L387-N389 VanDerWaalsContact C-N 3.28Å; L387-N389 PolarHBondContact O-N 2.6Å; L387-L390 HydrophobicContact CD1-CD2 4.4Å; L387-L390 PolarHBondContact O-N 3.26Å; L387-Q391 HydrophobicContact CD1-CG 4.48Å; L387-Q391 HydrophobicContact CG-CG 4.46Å; L387-Q391 WeakPolarHBondContact O-CG 3.17Å; L387-Q391 PolarHBondContact O-N 3.27Å
388S80.8Confident79.3Confident53 Ų5375.1 Ų75.137%0.37140%0.398SS..Hα-helixtrans-55-42.2173.243.70000112.4Q386 Q391 S392Q386-S388 WeakPolarHBondContact CB-OG 3.48Å; Q386-S388 PolarHBondContact OE1-OG 2.35Å; S388-Q391 PolarHBondContact O-N 3.07Å; S388-S392 PolarHBondContact O-N 3.48Å; S388-S392 PolarHBondContact O-OG 2.96Å
389N83.8Confident78.7Confident71 Ų7179.1 Ų79.138%0.3840%0.404SS..Hα-helixtrans-72-40179.7-64.2-6.3000110.9F384 Q386 L387 S392 H393F384-N389 HydrophobicContact CB-CB 4.26Å; F384-N389 HydrophobicContact CD1-CB 3.77Å; F384-N389 HydrophobicContact CG-CB 4.26Å; Q386-N389 HydrophobicContact CB-CB 4.38Å; Q386-N389 PolarHBondContact O-N 3.29Å; L387-N389 VanDerWaalsContact C-N 3.28Å; L387-N389 PolarHBondContact O-N 2.6Å; N389-S392 PolarHBondContact O-N 2.45Å; N389-H393 VanDerWaalsContact O-CB 3.3Å; N389-H393 WeakPolarHBondContact O-CB 3.15Å; N389-H393 PolarHBondContact O-N 3.02Å
390L83.6Confident77.9Confident17 Ų1780.7 Ų80.79%0.08939%0.391CS..Hα-helixtrans-62-42.7170.9173.961.1000111.7K374 C375 F384 Q386 L387 H393 R394K374-L390 WeakPolarHBondContact O-CD2 3.39Å; C375-L390 HydrophobicContact CB-CD1 3.85Å; F384-L390 HydrophobicContact CB-CB 4.35Å; F384-L390 HydrophobicContact CD2-CB 3.95Å; F384-L390 HydrophobicContact CD2-CD1 3.97Å; F384-L390 HydrophobicContact CE2-CD1 4.18Å; F384-L390 HydrophobicContact CG-CB 4.31Å; Q386-L390 PolarHBondContact O-N 3.31Å; L387-L390 HydrophobicContact CD1-CD2 4.4Å; L387-L390 PolarHBondContact O-N 3.26Å; L390-H393 PolarHBondContact O-N 2.94Å; L390-R394 HydrophobicContact CD1-CG 4.02Å; L390-R394 HydrophobicContact CG-CG 4.43Å; L390-R394 WeakPolarHBondContact O-CB 3.45Å; L390-R394 WeakPolarHBondContact O-CG 3.2Å; L390-R394 PolarHBondContact O-N 3.3Å
391Q79.4Confident77Confident110 Ų11084.3 Ų84.351%0.51441%0.405SS..Hα-helixtrans-61.7-46.5177.3-76.2173.4-32.400111.7L387 S388 H393 R394 R395L387-Q391 HydrophobicContact CD1-CG 4.48Å; L387-Q391 HydrophobicContact CG-CG 4.46Å; L387-Q391 WeakPolarHBondContact O-CG 3.17Å; L387-Q391 PolarHBondContact O-N 3.27Å; S388-Q391 PolarHBondContact O-N 3.07Å; Q391-H393 VanDerWaalsContact C-N 3.33Å; Q391-H393 PolarHBondContact O-N 3.39Å; Q391-R394 PolarHBondContact O-N 2.8Å; Q391-R395 PolarHBondContact O-N 2.86Å
392S77.8Confident76.3Confident49 Ų4979.5 Ų79.534%0.34339%0.39SS..Hα-helixtrans-65.4-35.1176.1-64.70000112.8S388 N389 R395S388-S392 PolarHBondContact O-N 3.48Å; S388-S392 PolarHBondContact O-OG 2.96Å; N389-S392 PolarHBondContact O-N 2.45Å; S392-R395 PolarHBondContact O-N 3.49Å; S392-R395 PolarHBondContact OG-NH1 3.18Å; S392-R395 PolarHBondContact OG-NH2 3.36Å; S392-R395 VanDerWaalsContact OG-NH2 3.11Å
393H82.4Confident75.6Confident8 Ų877.5 Ų77.54%0.03738%0.382CS..Hα-helixtrans-69-39.3171.8170.151.7000112.9C375 F384 N389 L390 Q391 R395 Q396 H397C375-H393 VanDerWaalsContact SG-CD2 3.57Å; F384-H393 HydrophobicContact CE1-CB 4.12Å; F384-H393 HydrophobicContact CE2-CB 3.92Å; F384-H393 AromaticContact CE2-CD2 3.24Å; F384-H393 WeakPolarHBondContact CE2-CD2 3.47Å; F384-H393 AromaticContact CE2-CG 3.71Å; F384-H393 HydrophobicContact CZ-CB 3.51Å; F384-H393 AromaticContact CZ-CD2 3.41Å; F384-H393 VanDerWaalsContact CZ-CD2 3.41Å; F384-H393 WeakPolarHBondContact CZ-CD2 3.49Å; F384-H393 AromaticContact CZ-CG 3.39Å; N389-H393 VanDerWaalsContact O-CB 3.3Å; N389-H393 WeakPolarHBondContact O-CB 3.15Å; N389-H393 PolarHBondContact O-N 3.02Å; L390-H393 PolarHBondContact O-N 2.94Å; Q391-H393 VanDerWaalsContact C-N 3.33Å; Q391-H393 PolarHBondContact O-N 3.39Å; H393-R395 PolarHBondContact O-N 3.24Å; H393-Q396 PolarHBondContact ND1-OE1 3.22Å; H393-Q396 WeakPolarHBondContact O-CA 3.36Å; H393-Q396 WeakPolarHBondContact O-CB 3.37Å; H393-Q396 PolarHBondContact O-N 3.26Å; H393-H397 AromaticContact CE1-CD2 3.99Å; H393-H397 AromaticContact CE1-NE2 3.88Å; H393-H397 AromaticContact NE2-CD2 3.93Å
394R76.6Confident74.8Confident150 Ų15083.9 Ų83.957%0.56641%0.407SS*.Hα-helixtrans-61.9-26.2174.9-77.2-17768.5-164.4-0.6113L390 Q391 Q396 H397 N398L390-R394 HydrophobicContact CD1-CG 4.02Å; L390-R394 HydrophobicContact CG-CG 4.43Å; L390-R394 WeakPolarHBondContact O-CB 3.45Å; L390-R394 WeakPolarHBondContact O-CG 3.2Å; L390-R394 PolarHBondContact O-N 3.3Å; Q391-R394 PolarHBondContact O-N 2.8Å; R394-Q396 PolarHBondContact O-N 2.75Å; R394-H397 PolarHBondContact O-N 3.49Å; R394-N398 PolarHBondContact O-ND2 3.29Å
395R73.1Confident74.3Confident87 Ų8782.1 Ų82.133%0.32840%0.399SS..Hα-helixtrans-68.8-13.9169.7-62-162.8-59.6-77-2.3113.7Q391 S392 H393 N398 T413 D414Q391-R395 PolarHBondContact O-N 2.86Å; S392-R395 PolarHBondContact O-N 3.49Å; S392-R395 PolarHBondContact OG-NH1 3.18Å; S392-R395 PolarHBondContact OG-NH2 3.36Å; S392-R395 VanDerWaalsContact OG-NH2 3.11Å; H393-R395 PolarHBondContact O-N 3.24Å; R395-N398 VanDerWaalsContact O-O 3.09Å; R395-T413 HydrophobicContact CB-CG2 4.15Å; R395-T413 WeakPolarHBondContact CD-O 3.42Å; R395-T413 PolarHBondContact NE-O 3.22Å; R395-T413 VanDerWaalsContact O-CG2 3.22Å; R395-T413 WeakPolarHBondContact O-CG2 3.16Å; R395-D414 IonicContact CZ-OD1 3.61Å; R395-D414 IonicContact NE-OD1 3.41Å; R395-D414 PolarHBondContact NE-OD1 2.91Å; R395-D414 IonicContact NH2-OD1 2.93Å; R395-D414 PolarHBondContact NH2-OD1 3.41Å
396Q70.8Confident73.6Confident125 Ų12588.4 Ų88.458%0.58443%0.426SS*.Hα-helixtrans-83.3-25.2175.4-56.2168.9-1500112.7H393 R394H393-Q396 PolarHBondContact ND1-OE1 3.22Å; H393-Q396 WeakPolarHBondContact O-CA 3.36Å; H393-Q396 WeakPolarHBondContact O-CB 3.37Å; H393-Q396 PolarHBondContact O-N 3.26Å; R394-Q396 PolarHBondContact O-N 2.75Å
397H71.5Confident72.8Confident61 Ų6190.7 Ų90.728%0.28244%0.44SS..Hα-helixtrans-78.4-32175-68.1-52000112.8H377 C380 H393 R394 K399H377-H397 AromaticContact CD2-CD2 3.94Å; H377-H397 AromaticContact CD2-CE1 3.22Å; H377-H397 PolarHBondContact CD2-CE1 3.43Å; H377-H397 AromaticContact CD2-CG 3.44Å; H377-H397 VanDerWaalsContact CD2-CG 3.44Å; H377-H397 AromaticContact CD2-ND1 3.25Å; H377-H397 PolarHBondContact CD2-ND1 2.84Å; H377-H397 AromaticContact CG-CD2 3.76Å; H377-H397 AromaticContact CG-CG 3.58Å; H377-H397 AromaticContact CG-ND1 3.86Å; H377-H397 AromaticContact NE2-CE1 3.42Å; H377-H397 PolarHBondContact NE2-CE1 2.86Å; H377-H397 AromaticContact NE2-CG 3.88Å; H377-H397 AromaticContact NE2-ND1 3.75Å; C380-H397 WeakPolarHBondContact CB-NE2 3.4Å; C380-H397 PolarHBondContact SG-NE2 3.5Å; H393-H397 AromaticContact CE1-CD2 3.99Å; H393-H397 AromaticContact CE1-NE2 3.88Å; H393-H397 AromaticContact NE2-CD2 3.93Å; R394-H397 PolarHBondContact O-N 3.49Å; H397-K399 PolarHBondContact O-N 2.81Å; H397-K399 VanDerWaalsContact O-N 3.14Å
398N64.9Low72.3Confident100 Ų10089 Ų8954%0.53544%0.435SS..SBendtrans-72.4105.2167-67.3-87000106.9R394 R395 D400R394-N398 PolarHBondContact O-ND2 3.29Å; R395-N398 VanDerWaalsContact O-O 3.09Å; N398-D400 PolarHBondContact O-N 3.21Å
399K59.1Low71.6Confident196 Ų19693.8 Ų93.885%0.85245%0.451SS*.  trans-63-18.8174.8-69.9-178.9179.7176.10112.2H397 K401H397-K399 PolarHBondContact O-N 2.81Å; H397-K399 VanDerWaalsContact O-N 3.14Å; K399-K401 WeakPolarHBondContact O-CG 3.46Å; K399-K401 PolarHBondContact O-N 3.22Å
400D58.8Low70.9Confident125 Ų12598.1 Ų98.167%0.66846%0.462SS*.  trans-64.9127.6174.2-155.8-16.4000111.1N398N398-D400 PolarHBondContact O-N 3.21Å
401K63.3Low70.3Confident90 Ų9098.6 Ų98.639%0.39147%0.468SS..  trans-137.981.5-168.3-77.4165.6153-143.40107.5K399 F403 A411 Y412 T413K399-K401 WeakPolarHBondContact O-CG 3.46Å; K399-K401 PolarHBondContact O-N 3.22Å; K401-F403 PolarHBondContact O-N 3.49Å; K401-A411 HydrophobicContact CB-CB 3.61Å; K401-A411 HydrophobicContact CD-CB 4.02Å; K401-A411 WeakPolarHBondContact CD-O 3.37Å; K401-A411 WeakPolarHBondContact CE-O 3.34Å; K401-A411 HydrophobicContact CG-CB 4.45Å; K401-A411 PolarHBondContact NZ-O 3.4Å; K401-Y412 CarbonylContact C-O 3.46Å; K401-Y412 WeakPolarHBondContact CA-O 3.5Å; K401-T413 HydrophobicContact CG-CG2 4.33Å
402P66.4Low70Confident89 Ų8995.4 Ų95.458%0.57845%0.452SS*.  trans-62-31-171.2-24.334.7000112.6K404P402-K404 PolarHBondContact O-N 3.49Å
403F68.9Low69.6Low78 Ų7894.7 Ų94.734%0.34245%0.446SS..EExtended strand (participates in β ladder)trans-86.778.6-172.3-56.4-78.1000110.5K401 Y412 D414 A415 L418K401-F403 PolarHBondContact O-N 3.49Å; F403-Y412 PolarHBondContact N-O 3.37Å; F403-Y412 WeakPolarHBondContact O-CB 3.39Å; F403-Y412 PolarHBondContact O-N 3.48Å; F403-D414 VanDerWaalsContact CD2-CA 3.44Å; F403-A415 HydrophobicContact CD1-CB 3.98Å; F403-A415 HydrophobicContact CE1-CB 3.75Å; F403-A415 HydrophobicContact CZ-CB 4.25Å; F403-L418 HydrophobicContact CB-CB 3.92Å; F403-L418 HydrophobicContact CB-CD2 3.78Å; F403-L418 HydrophobicContact CB-CG 4.43Å
404K70Confident69.1Low150 Ų15095.8 Ų95.865%0.65245%0.452SS*.EExtended strand (participates in β ladder)trans-83.2132.6175.8-60.4179.7-177.6173.10110.6P402 A411P402-K404 PolarHBondContact O-N 3.49Å; K404-A411 HydrophobicContact CG-CB 3.95Å
405C76.2Confident68.9Low1 Ų191.3 Ų91.31%0.00745%0.446CS..  trans-73.4126169.8-176.70000110.2N407 H409 R410 L418 H425C405-N407 VanDerWaalsContact C-N 3.34Å; C405-N407 PolarHBondContact O-N 3.36Å; C405-H409 WeakPolarHBondContact O-CA 2.88Å; C405-H409 PolarHBondContact O-N 3.17Å; C405-R410 WeakPolarHBondContact CB-O 3.41Å; C405-R410 PolarHBondContact N-O 2.83Å; C405-L418 HydrophobicContact CB-CD1 3.82Å; C405-H425 PolarHBondContact SG-NE2 2.81Å
406H71.3Confident69.2Low161 Ų16189.9 Ų89.975%0.74545%0.454SS*.THydrogen-bonded Turntrans-63.4-40.3176.2-172.277000111.9C408H406-C408 PolarHBondContact O-N 3.33Å
407N66.9Low69.4Low99 Ų9986.3 Ų86.353%0.52944%0.442SS..THydrogen-bonded Turntrans-78.3-14.7-170.1-60.724.5000115C405 H425C405-N407 VanDerWaalsContact C-N 3.34Å; C405-N407 PolarHBondContact O-N 3.36Å; N407-H425 WeakPolarHBondContact CB-ND1 3.35Å
408C72.1Confident69.8Low50 Ų5084.5 Ų84.534%0.33844%0.435SS..THydrogen-bonded Turntrans-155.118177.872.70000114.5H406 R410 H421 H425H406-C408 PolarHBondContact O-N 3.33Å; C408-R410 PolarHBondContact O-N 3.09Å; C408-H421 PolarHBondContact SG-NE2 2.99Å; C408-H425 PolarHBondContact SG-NE2 3.02Å; C408-H425 VanDerWaalsContact SG-NE2 3.45Å
409H66.3Low70.3Confident153 Ų15385.8 Ų85.871%0.70844%0.437SS*.  trans54.92.5176.1-52.4-69.6000117.8C405 A411C405-H409 WeakPolarHBondContact O-CA 2.88Å; C405-H409 PolarHBondContact O-N 3.17Å; H409-A411 PolarHBondContact O-N 3.13Å
410R69.8Low71.2Confident161 Ų16181.3 Ų81.361%0.60843%0.426SS*.  trans-60.6130174.4-67.517679.9104.1-1109.6C405 C408 Y412C405-R410 WeakPolarHBondContact CB-O 3.41Å; C405-R410 PolarHBondContact N-O 2.83Å; C408-R410 PolarHBondContact O-N 3.09Å; R410-Y412 HydrophobicContact CB-CE2 3.64Å; R410-Y412 PolarHBondContact NE-OH 2.85Å; R410-Y412 WeakPolarHBondContact O-CD2 3.24Å; R410-Y412 VanDerWaalsContact O-CE2 3.26Å; R410-Y412 WeakPolarHBondContact O-CE2 3.3Å
411A71.8Confident72Confident27 Ų2776.5 Ų76.522%0.22340%0.4CS..EExtended strand (participates in β ladder)trans-110.4134.9-172.700000112.4K401 K404 H409K401-A411 HydrophobicContact CB-CB 3.61Å; K401-A411 HydrophobicContact CD-CB 4.02Å; K401-A411 WeakPolarHBondContact CD-O 3.37Å; K401-A411 WeakPolarHBondContact CE-O 3.34Å; K401-A411 HydrophobicContact CG-CB 4.45Å; K401-A411 PolarHBondContact NZ-O 3.4Å; K404-A411 HydrophobicContact CG-CB 3.95Å; H409-A411 PolarHBondContact O-N 3.13Å
412Y73Confident72.5Confident44 Ų4475.3 Ų75.317%0.17340%0.397CS..EExtended strand (participates in β ladder)trans-121.9155.9-169.8-63.6-94.3000112.2K401 F403 R410 L418 H421K401-Y412 CarbonylContact C-O 3.46Å; K401-Y412 WeakPolarHBondContact CA-O 3.5Å; F403-Y412 PolarHBondContact N-O 3.37Å; F403-Y412 WeakPolarHBondContact O-CB 3.39Å; F403-Y412 PolarHBondContact O-N 3.48Å; R410-Y412 HydrophobicContact CB-CE2 3.64Å; R410-Y412 PolarHBondContact NE-OH 2.85Å; R410-Y412 WeakPolarHBondContact O-CD2 3.24Å; R410-Y412 VanDerWaalsContact O-CE2 3.26Å; R410-Y412 WeakPolarHBondContact O-CE2 3.3Å; Y412-L418 HydrophobicContact CD2-CB 4.42Å; Y412-L418 HydrophobicContact CD2-CD1 4Å; Y412-L418 HydrophobicContact CE2-CD1 4.43Å; Y412-L418 HydrophobicContact CG-CB 4.42Å; Y412-H421 HydrophobicContact CE1-CB 4.11Å; Y412-H421 HydrophobicContact CE2-CB 4.15Å; Y412-H421 AromaticContact CE2-CD2 3.27Å; Y412-H421 WeakPolarHBondContact CE2-CD2 3.37Å; Y412-H421 AromaticContact CE2-CG 3.84Å; Y412-H421 AromaticContact CZ-CD2 3.44Å; Y412-H421 VanDerWaalsContact CZ-CD2 3.44Å; Y412-H421 AromaticContact CZ-CG 3.54Å; Y412-H421 PolarHBondContact OH-CD2 3.13Å; Y412-H421 PolarHBondContact OH-ND1 3.25Å
413T69.3Low72.7Confident34 Ų3474.5 Ų74.521%0.20939%0.394CS..SBendtrans-85.1-10.1-175.546.80000114.5R395 K401R395-T413 HydrophobicContact CB-CG2 4.15Å; R395-T413 WeakPolarHBondContact CD-O 3.42Å; R395-T413 PolarHBondContact NE-O 3.22Å; R395-T413 VanDerWaalsContact O-CG2 3.22Å; R395-T413 WeakPolarHBondContact O-CG2 3.16Å; K401-T413 HydrophobicContact CG-CG2 4.33Å
414D70.6Confident72.7Confident31 Ų3175 Ų7517%0.16640%0.403CS..SBendtrans-162.5150.7-175.141.8-95.1000111R395 F403 A416 S417 L418R395-D414 IonicContact CZ-OD1 3.61Å; R395-D414 IonicContact NE-OD1 3.41Å; R395-D414 PolarHBondContact NE-OD1 2.91Å; R395-D414 IonicContact NH2-OD1 2.93Å; R395-D414 PolarHBondContact NH2-OD1 3.41Å; F403-D414 VanDerWaalsContact CD2-CA 3.44Å; D414-A416 VanDerWaalsContact C-N 3.31Å; D414-A416 PolarHBondContact O-N 3.32Å; D414-S417 PolarHBondContact O-N 3.46Å; D414-S417 WeakPolarHBondContact OD2-CB 3.46Å; D414-S417 PolarHBondContact OD2-N 2.9Å; D414-S417 VanDerWaalsContact OD2-N 3.12Å; D414-S417 PolarHBondContact OD2-OG 3.38Å; D414-L418 PolarHBondContact O-N 3.26Å
415A73.9Confident72.4Confident55 Ų5570.6 Ų70.646%0.45539%0.385SS..Hα-helixtrans-59.1-37.9-177.300000113F403 S417 L418 E419F403-A415 HydrophobicContact CD1-CB 3.98Å; F403-A415 HydrophobicContact CE1-CB 3.75Å; F403-A415 HydrophobicContact CZ-CB 4.25Å; A415-S417 PolarHBondContact O-N 3.48Å; A415-L418 CarbonylContact O-C 3.31Å; A415-L418 WeakPolarHBondContact O-CB 3.35Å; A415-L418 PolarHBondContact O-N 3.24Å; A415-L418 VanDerWaalsContact O-N 3.17Å; A415-E419 WeakPolarHBondContact O-CB 3.44Å; A415-E419 PolarHBondContact O-N 2.83Å
416A78.1Confident71.8Confident58 Ų5875 Ų7548%0.47941%0.412SS..Hα-helixtrans-65.4-39.5179.600000112.5D414 L418 E419 V420D414-A416 VanDerWaalsContact C-N 3.31Å; D414-A416 PolarHBondContact O-N 3.32Å; A416-L418 VanDerWaalsContact C-N 3.32Å; A416-E419 PolarHBondContact O-N 3.24Å; A416-V420 WeakPolarHBondContact O-CG2 3.38Å; A416-V420 PolarHBondContact O-N 3.23Å
417S76.4Confident71.2Confident50 Ų5072.4 Ų72.435%0.3541%0.407SS..Hα-helixtrans-68.5-31.2173.3-61.30000112.6D414 A415 H421D414-S417 PolarHBondContact O-N 3.46Å; D414-S417 WeakPolarHBondContact OD2-CB 3.46Å; D414-S417 PolarHBondContact OD2-N 2.9Å; D414-S417 VanDerWaalsContact OD2-N 3.12Å; D414-S417 PolarHBondContact OD2-OG 3.38Å; A415-S417 PolarHBondContact O-N 3.48Å; S417-H421 WeakPolarHBondContact O-CB 3.45Å; S417-H421 PolarHBondContact O-N 3.28Å
418L78.5Confident70.6Confident23 Ų2376.5 Ų76.512%0.1242%0.42CS..Hα-helixtrans-70.4-42.1170.6175.462.4000111.5F403 C405 Y412 D414 A415 A416 H421 L422F403-L418 HydrophobicContact CB-CB 3.92Å; F403-L418 HydrophobicContact CB-CD2 3.78Å; F403-L418 HydrophobicContact CB-CG 4.43Å; C405-L418 HydrophobicContact CB-CD1 3.82Å; Y412-L418 HydrophobicContact CD2-CB 4.42Å; Y412-L418 HydrophobicContact CD2-CD1 4Å; Y412-L418 HydrophobicContact CE2-CD1 4.43Å; Y412-L418 HydrophobicContact CG-CB 4.42Å; D414-L418 PolarHBondContact O-N 3.26Å; A415-L418 CarbonylContact O-C 3.31Å; A415-L418 WeakPolarHBondContact O-CB 3.35Å; A415-L418 PolarHBondContact O-N 3.24Å; A415-L418 VanDerWaalsContact O-N 3.17Å; A416-L418 VanDerWaalsContact C-N 3.32Å; L418-H421 CarbonylContact O-C 3.54Å; L418-H421 WeakPolarHBondContact O-CA 3.47Å; L418-H421 WeakPolarHBondContact O-CB 3.4Å; L418-H421 PolarHBondContact O-N 2.98Å; L418-L422 HydrophobicContact CD1-CD1 4.18Å; L418-L422 HydrophobicContact CD1-CD2 4.4Å; L418-L422 HydrophobicContact CD1-CG 3.96Å; L418-L422 HydrophobicContact CD2-CD1 4.35Å; L418-L422 HydrophobicContact CG-CD1 3.87Å; L418-L422 HydrophobicContact CG-CG 4.13Å; L418-L422 WeakPolarHBondContact O-CG 3.49Å; L418-L422 PolarHBondContact O-N 3.41Å
419E76.7Confident69.6Low127 Ų12783 Ų8359%0.59345%0.445SS*.Hα-helixtrans-60.3-49.1178.9-175.7-178.2-173.700111.5A415 A416 H421 L422 S423A415-E419 WeakPolarHBondContact O-CB 3.44Å; A415-E419 PolarHBondContact O-N 2.83Å; A416-E419 PolarHBondContact O-N 3.24Å; E419-H421 PolarHBondContact O-N 3.17Å; E419-L422 PolarHBondContact O-N 2.95Å; E419-L422 VanDerWaalsContact O-N 3.12Å; E419-S423 PolarHBondContact O-N 3.4Å
420V76.3Confident69.2Low102 Ų10278 Ų7862%0.61843%0.43SS*.Hα-helixtrans-62.3-23.7173.2172.20000112.4A416 S423A416-V420 WeakPolarHBondContact O-CG2 3.38Å; A416-V420 PolarHBondContact O-N 3.23Å; V420-S423 PolarHBondContact O-OG 2.84Å
421H77.1Confident68.7Low23 Ų2378 Ų7811%0.10643%0.434CS..Hα-helixtrans-84.9-37.4171.8175.348.3000112.8C408 Y412 S417 L418 E419 S423 T424 H425C408-H421 PolarHBondContact SG-NE2 2.99Å; Y412-H421 HydrophobicContact CE1-CB 4.11Å; Y412-H421 HydrophobicContact CE2-CB 4.15Å; Y412-H421 AromaticContact CE2-CD2 3.27Å; Y412-H421 WeakPolarHBondContact CE2-CD2 3.37Å; Y412-H421 AromaticContact CE2-CG 3.84Å; Y412-H421 AromaticContact CZ-CD2 3.44Å; Y412-H421 VanDerWaalsContact CZ-CD2 3.44Å; Y412-H421 AromaticContact CZ-CG 3.54Å; Y412-H421 PolarHBondContact OH-CD2 3.13Å; Y412-H421 PolarHBondContact OH-ND1 3.25Å; S417-H421 WeakPolarHBondContact O-CB 3.45Å; S417-H421 PolarHBondContact O-N 3.28Å; L418-H421 CarbonylContact O-C 3.54Å; L418-H421 WeakPolarHBondContact O-CA 3.47Å; L418-H421 WeakPolarHBondContact O-CB 3.4Å; L418-H421 PolarHBondContact O-N 2.98Å; E419-H421 PolarHBondContact O-N 3.17Å; H421-S423 PolarHBondContact O-N 2.85Å; H421-T424 PolarHBondContact ND1-OG1 3.14Å; H421-T424 VanDerWaalsContact ND1-OG1 3.15Å; H421-T424 WeakPolarHBondContact O-CA 3.41Å; H421-T424 WeakPolarHBondContact O-CB 3.35Å; H421-T424 PolarHBondContact O-N 2.8Å; H421-T424 PolarHBondContact O-OG1 3.39Å; H421-H425 AromaticContact CE1-CD2 3.77Å; H421-H425 AromaticContact CE1-NE2 3.15Å; H421-H425 PolarHBondContact CE1-NE2 3.22Å; H421-H425 AromaticContact NE2-CD2 3.82Å; H421-H425 AromaticContact NE2-NE2 3.13Å; H421-H425 PolarHBondContact NE2-NE2 2.99Å; H421-H425 VanDerWaalsContact NE2-NE2 3.13Å; H421-H425 PolarHBondContact O-CD2 3.05Å
422L73.4Confident68.7Low65 Ų6581.2 Ų81.234%0.3445%0.451SS..Hα-helixtrans-62.5-33.1173.7-71.2170.8000110.8L418 E419 T424 H425 T426L418-L422 HydrophobicContact CD1-CD1 4.18Å; L418-L422 HydrophobicContact CD1-CD2 4.4Å; L418-L422 HydrophobicContact CD1-CG 3.96Å; L418-L422 HydrophobicContact CD2-CD1 4.35Å; L418-L422 HydrophobicContact CG-CD1 3.87Å; L418-L422 HydrophobicContact CG-CG 4.13Å; L418-L422 WeakPolarHBondContact O-CG 3.49Å; L418-L422 PolarHBondContact O-N 3.41Å; E419-L422 PolarHBondContact O-N 2.95Å; E419-L422 VanDerWaalsContact O-N 3.12Å; L422-T424 PolarHBondContact O-N 2.79Å; L422-T424 VanDerWaalsContact O-N 3.15Å; L422-H425 WeakPolarHBondContact O-CA 3.41Å; L422-H425 WeakPolarHBondContact O-CB 3.35Å; L422-H425 PolarHBondContact O-N 3.18Å; L422-T426 PolarHBondContact O-N 3.38Å; L422-T426 PolarHBondContact O-OG1 2.89Å
423S70.8Confident68.8Low73 Ų7382.6 Ų82.651%0.5146%0.456SS..Hα-helixtrans-64.5-14.4170.672.10000114.3E419 V420 H421 T426E419-S423 PolarHBondContact O-N 3.4Å; V420-S423 PolarHBondContact O-OG 2.84Å; H421-S423 PolarHBondContact O-N 2.85Å; S423-T426 WeakPolarHBondContact CA-OG1 3.2Å
424T67.7Low69.2Low87 Ų8784.9 Ų84.953%0.53447%0.471SS..Hα-helixtrans-83.9-16.4169.469.10000113.4H421 L422H421-T424 PolarHBondContact ND1-OG1 3.14Å; H421-T424 VanDerWaalsContact ND1-OG1 3.15Å; H421-T424 WeakPolarHBondContact O-CA 3.41Å; H421-T424 WeakPolarHBondContact O-CB 3.35Å; H421-T424 PolarHBondContact O-N 2.8Å; H421-T424 PolarHBondContact O-OG1 3.39Å; L422-T424 PolarHBondContact O-N 2.79Å; L422-T424 VanDerWaalsContact O-N 3.15Å
425H65Low69.8Low58 Ų5883.5 Ų83.527%0.26946%0.463SS..Hα-helixtrans-91.9-33.4172.7-68.2-80.5000112.4C405 N407 C408 H421 L422 V427C405-H425 PolarHBondContact SG-NE2 2.81Å; N407-H425 WeakPolarHBondContact CB-ND1 3.35Å; C408-H425 PolarHBondContact SG-NE2 3.02Å; C408-H425 VanDerWaalsContact SG-NE2 3.45Å; H421-H425 AromaticContact CE1-CD2 3.77Å; H421-H425 AromaticContact CE1-NE2 3.15Å; H421-H425 PolarHBondContact CE1-NE2 3.22Å; H421-H425 AromaticContact NE2-CD2 3.82Å; H421-H425 AromaticContact NE2-NE2 3.13Å; H421-H425 PolarHBondContact NE2-NE2 2.99Å; H421-H425 VanDerWaalsContact NE2-NE2 3.13Å; H421-H425 PolarHBondContact O-CD2 3.05Å; L422-H425 WeakPolarHBondContact O-CA 3.41Å; L422-H425 WeakPolarHBondContact O-CB 3.35Å; L422-H425 PolarHBondContact O-N 3.18Å; H425-V427 PolarHBondContact O-N 3.38Å
426T63.6Low70.2Confident95 Ų9587 Ų8758%0.58348%0.479SS*.  trans-79.960.5-179.961.20000112.4L422 S423 K428L422-T426 PolarHBondContact O-N 3.38Å; L422-T426 PolarHBondContact O-OG1 2.89Å; S423-T426 WeakPolarHBondContact CA-OG1 3.2Å; T426-K428 PolarHBondContact O-N 3.15Å
427V58.9Low70.2Confident105 Ų10589.4 Ų89.464%0.63648%0.483SS*.THydrogen-bonded Turntrans-73.776.4174.9-171.70000109.9H425H425-V427 PolarHBondContact O-N 3.38Å
428K53.6Low70.6Confident185 Ų18588.8 Ų88.880%0.80448%0.478SS*.THydrogen-bonded Turntrans-123.1-32.3169.7-72-165.3171.7-173.30114.1T426T426-K428 PolarHBondContact O-N 3.15Å
429H50.1Low70.7Confident188 Ų18892.6 Ų92.687%0.8751%0.506SS*.SBendtrans-137.938.4172.8-59.9-64.8000113.1K431H429-K431 PolarHBondContact O-N 3.14Å; H429-K431 VanDerWaalsContact O-N 3.11Å
430A59.2Low70.8Confident46 Ų4694 Ų9438%0.3851%0.507SS..  trans-66.1110.5168.900000109V432A430-V432 PolarHBondContact O-N 2.86Å
431K58.1Low71Confident162 Ų16292.3 Ų92.370%0.70450%0.503SS*.  trans-56.3116.4169.1-74.4-174.7177.7-179.30107.9H429 Y433H429-K431 PolarHBondContact O-N 3.14Å; H429-K431 VanDerWaalsContact O-N 3.11Å; K431-Y433 HydrophobicContact CB-CE2 4.03Å; K431-Y433 WeakPolarHBondContact O-CD2 3.28Å; K431-Y433 WeakPolarHBondContact O-CE2 3.45Å; K431-Y433 PolarHBondContact O-N 3.5Å
432V71.9Confident71Confident94 Ų9493.7 Ų93.757%0.5751%0.508SS*.  trans-78.9104179.7-177.60000108A430 T434 A441A430-V432 PolarHBondContact O-N 2.86Å; V432-T434 HydrophobicContact CG1-CG2 4.21Å; V432-T434 PolarHBondContact O-N 3.37Å; V432-T434 VanDerWaalsContact O-N 3.11Å; V432-A441 HydrophobicContact CG1-CB 3.46Å; V432-A441 VanDerWaalsContact CG1-CB 3.46Å
433Y75.2Confident71.2Confident73 Ų7396.2 Ų96.229%0.28653%0.526SS..EExtended strand (participates in β ladder)trans-77.594.6178.4-69.5-88.5000108.8K431 Y442 E445 L448K431-Y433 HydrophobicContact CB-CE2 4.03Å; K431-Y433 WeakPolarHBondContact O-CD2 3.28Å; K431-Y433 WeakPolarHBondContact O-CE2 3.45Å; K431-Y433 PolarHBondContact O-N 3.5Å; Y433-Y442 PolarHBondContact N-O 3.49Å; Y433-Y442 WeakPolarHBondContact O-CB 3.43Å; Y433-Y442 PolarHBondContact O-N 3.11Å; Y433-E445 HydrophobicContact CD1-CB 3.84Å; Y433-E445 HydrophobicContact CD1-CG 3.87Å; Y433-E445 HydrophobicContact CD2-CB 4.36Å; Y433-E445 VanDerWaalsContact CD2-N 3.34Å; Y433-E445 HydrophobicContact CE1-CB 3.56Å; Y433-E445 HydrophobicContact CE1-CG 3.64Å; Y433-E445 HydrophobicContact CE2-CB 4.11Å; Y433-E445 HydrophobicContact CG-CB 4.24Å; Y433-E445 PolarHBondContact OH-OE2 2.95Å; Y433-L448 HydrophobicContact CD1-CD2 4.48Å
434T78.7Confident71.4Confident83 Ų8394.7 Ų94.751%0.50952%0.515SS..EExtended strand (participates in β ladder)trans-79.9140.417746.90000111.5V432 R440V432-T434 HydrophobicContact CG1-CG2 4.21Å; V432-T434 PolarHBondContact O-N 3.37Å; V432-T434 VanDerWaalsContact O-N 3.11Å; T434-R440 CarbonylContact C-O 3.48Å; T434-R440 WeakPolarHBondContact CA-O 3.41Å
435C82.3Confident71.9Confident2 Ų294.8 Ų94.81%0.01451%0.51CS..  trans-76123.7169.5178.40000110.2I437 S439 R440 Y442 L448 H451 M452 H455C435-I437 PolarHBondContact O-N 2.77Å; C435-I437 PolarHBondContact SG-N 3.35Å; C435-S439 WeakPolarHBondContact O-CA 3.37Å; C435-S439 PolarHBondContact O-N 3.2Å; C435-R440 HydrophobicContact CB-CB 4.46Å; C435-R440 PolarHBondContact N-O 3.25Å; C435-Y442 HydrophobicContact CB-CE2 4.37Å; C435-L448 HydrophobicContact CB-CD1 3.83Å; C435-H451 PolarHBondContact SG-NE2 3.42Å; C435-M452 VanDerWaalsContact SG-CE 3.53Å; C435-H455 VanDerWaalsContact SG-CD2 3.55Å; C435-H455 PolarHBondContact SG-NE2 3.28Å
436T82.3Confident72.5Confident127 Ų12796 Ų9678%0.77952%0.521SS*.THydrogen-bonded Turntrans-68.5-18.2178.548.80000114.1
437I79.2Confident73.3Confident109 Ų10997.9 Ų97.956%0.55952%0.519SS*.THydrogen-bonded Turntrans-96.5-28.6-174.2-59.4175.6000112.4C435 M452 H455C435-I437 PolarHBondContact O-N 2.77Å; C435-I437 PolarHBondContact SG-N 3.35Å; I437-M452 HydrophobicContact CB-CE 4.49Å; I437-M452 HydrophobicContact CD1-CE 3.72Å; I437-M452 HydrophobicContact CG1-CE 4.09Å; I437-H455 HydrophobicContact CD1-CB 3.68Å; I437-H455 HydrophobicContact CG2-CB 4.31Å
438C84.9Confident74.5Confident38 Ų3893.7 Ų93.726%0.25749%0.492SS..THydrogen-bonded Turntrans-142.221.7179.281.60000114.6R440 H451 H455C438-R440 PolarHBondContact O-N 2.8Å; C438-H451 PolarHBondContact SG-NE2 3.23Å; C438-H455 WeakPolarHBondContact CB-CE1 3.36Å; C438-H455 VanDerWaalsContact CB-NE2 3.32Å; C438-H455 WeakPolarHBondContact CB-NE2 3.35Å; C438-H455 PolarHBondContact SG-CE1 3.36Å; C438-H455 PolarHBondContact SG-NE2 2.8Å
439S79.3Confident75.8Confident102 Ų10289.8 Ų89.871%0.71348%0.478SS*.  trans555175.3-55.40000117.4C435 A441C435-S439 WeakPolarHBondContact O-CA 3.37Å; C435-S439 PolarHBondContact O-N 3.2Å; S439-A441 PolarHBondContact O-N 3.49Å
440R80.3Confident77.3Confident158 Ų15886 Ų8660%0.59646%0.459SS*.  trans-65.1129.1-179.2-85-174.9156.9108.7-3.2111.4T434 C435 C438 Y442T434-R440 CarbonylContact C-O 3.48Å; T434-R440 WeakPolarHBondContact CA-O 3.41Å; C435-R440 HydrophobicContact CB-CB 4.46Å; C435-R440 PolarHBondContact N-O 3.25Å; C438-R440 PolarHBondContact O-N 2.8Å; R440-Y442 HydrophobicContact CB-CE2 3.7Å; R440-Y442 WeakPolarHBondContact O-CD2 3.41Å; R440-Y442 WeakPolarHBondContact O-CE2 3.33Å
441A78.7Confident78.4Confident66 Ų6684.9 Ų84.955%0.54545%0.446SS..EExtended strand (participates in β ladder)trans-82.2137.4177.900000112.4V432 S439V432-A441 HydrophobicContact CG1-CB 3.46Å; V432-A441 VanDerWaalsContact CG1-CB 3.46Å; S439-A441 PolarHBondContact O-N 3.49Å
442Y78.1Confident79.3Confident52 Ų5279.2 Ų79.220%0.20442%0.423CS..EExtended strand (participates in β ladder)trans-129139.7174.8-64.3-83.8000111.5Y433 C435 R440 S444 L448 H451Y433-Y442 PolarHBondContact N-O 3.49Å; Y433-Y442 WeakPolarHBondContact O-CB 3.43Å; Y433-Y442 PolarHBondContact O-N 3.11Å; C435-Y442 HydrophobicContact CB-CE2 4.37Å; R440-Y442 HydrophobicContact CB-CE2 3.7Å; R440-Y442 WeakPolarHBondContact O-CD2 3.41Å; R440-Y442 WeakPolarHBondContact O-CE2 3.33Å; Y442-S444 PolarHBondContact O-N 3.43Å; Y442-L448 HydrophobicContact CD2-CB 4.12Å; Y442-L448 HydrophobicContact CD2-CD1 3.91Å; Y442-L448 HydrophobicContact CE2-CD1 4.25Å; Y442-L448 HydrophobicContact CG-CB 4.29Å; Y442-H451 HydrophobicContact CE1-CB 4.22Å; Y442-H451 HydrophobicContact CE2-CB 4.08Å; Y442-H451 AromaticContact CE2-CD2 3.3Å; Y442-H451 WeakPolarHBondContact CE2-CD2 3.07Å; Y442-H451 AromaticContact CE2-CG 3.8Å; Y442-H451 AromaticContact CZ-CD2 3.55Å; Y442-H451 AromaticContact CZ-CG 3.56Å; Y442-H451 PolarHBondContact OH-CD2 3.45Å; Y442-H451 VanDerWaalsContact OH-CD2 3.29Å; Y442-H451 PolarHBondContact OH-ND1 3.14Å
443T76.4Confident79.7Confident118 Ų11883 Ų8372%0.72443%0.427SS*.SBendtrans-78.6-3.417851.70000113.9
444S76.3Confident79.7Confident40 Ų4087.8 Ų87.828%0.2845%0.449SS..SBendtrans-155.1135.7178.2174.50000110.9Y442 T446 Y447 L448Y442-S444 PolarHBondContact O-N 3.43Å; S444-T446 PolarHBondContact O-N 3.36Å; S444-T446 PolarHBondContact OG-N 2.82Å; S444-T446 PolarHBondContact OG-OG1 3.23Å; S444-Y447 PolarHBondContact O-N 3.42Å; S444-L448 PolarHBondContact O-N 3.17Å; S444-L448 VanDerWaalsContact O-N 3.14Å
445E77Confident79.5Confident90 Ų9087.1 Ų87.142%0.42144%0.44SS..Hα-helixtrans-50.9-37.8173.9-158.9176.8152.100112.8Y433 Y447 L448 M449Y433-E445 HydrophobicContact CD1-CB 3.84Å; Y433-E445 HydrophobicContact CD1-CG 3.87Å; Y433-E445 HydrophobicContact CD2-CB 4.36Å; Y433-E445 VanDerWaalsContact CD2-N 3.34Å; Y433-E445 HydrophobicContact CE1-CB 3.56Å; Y433-E445 HydrophobicContact CE1-CG 3.64Å; Y433-E445 HydrophobicContact CE2-CB 4.11Å; Y433-E445 HydrophobicContact CG-CB 4.24Å; Y433-E445 PolarHBondContact OH-OE2 2.95Å; E445-Y447 PolarHBondContact O-N 2.87Å; E445-L448 PolarHBondContact O-N 3Å; E445-M449 HydrophobicContact CG-CE 4.32Å; E445-M449 HydrophobicContact CG-CG 4.45Å; E445-M449 WeakPolarHBondContact O-CB 3.4Å; E445-M449 VanDerWaalsContact O-CG 3.31Å; E445-M449 WeakPolarHBondContact O-CG 3.49Å; E445-M449 PolarHBondContact O-N 2.77Å
446T79Confident79Confident82 Ų8290.5 Ų90.550%0.50346%0.458SS..Hα-helixtrans-65-24.5179.166.40000113.4S444 K450S444-T446 PolarHBondContact O-N 3.36Å; S444-T446 PolarHBondContact OG-N 2.82Å; S444-T446 PolarHBondContact OG-OG1 3.23Å; T446-K450 WeakPolarHBondContact O-CD 3.48Å; T446-K450 VanDerWaalsContact O-CG 3.26Å; T446-K450 WeakPolarHBondContact O-CG 3.2Å; T446-K450 PolarHBondContact O-N 2.13Å
447Y80.3Confident78Confident136 Ų13686.7 Ų86.753%0.53344%0.435SS..Hα-helixtrans-87.7-36.5173.2-77.8-93.9000111.6S444 E445 M449 K450 H451S444-Y447 PolarHBondContact O-N 3.42Å; E445-Y447 PolarHBondContact O-N 2.87Å; Y447-M449 PolarHBondContact O-N 3.48Å; Y447-K450 HydrophobicContact CD1-CD 4.49Å; Y447-K450 PolarHBondContact O-N 2.82Å; Y447-H451 WeakPolarHBondContact O-CB 3.41Å; Y447-H451 PolarHBondContact O-N 2.8Å
448L83.3Confident77.1Confident16 Ų1686.5 Ų86.58%0.08444%0.441CS..Hα-helixtrans-57-49167.9174.659.8000110.6Y433 C435 Y442 S444 E445 K450 H451 M452Y433-L448 HydrophobicContact CD1-CD2 4.48Å; C435-L448 HydrophobicContact CB-CD1 3.83Å; Y442-L448 HydrophobicContact CD2-CB 4.12Å; Y442-L448 HydrophobicContact CD2-CD1 3.91Å; Y442-L448 HydrophobicContact CE2-CD1 4.25Å; Y442-L448 HydrophobicContact CG-CB 4.29Å; S444-L448 PolarHBondContact O-N 3.17Å; S444-L448 VanDerWaalsContact O-N 3.14Å; E445-L448 PolarHBondContact O-N 3Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 2.84Å; L448-H451 CarbonylContact O-C 3.2Å; L448-H451 WeakPolarHBondContact O-CA 3.46Å; L448-H451 WeakPolarHBondContact O-CB 3.38Å; L448-H451 PolarHBondContact O-N 3.05Å; L448-M452 HydrophobicContact CD1-CG 3.75Å; L448-M452 HydrophobicContact CD1-SD 4.09Å; L448-M452 HydrophobicContact CG-CG 3.94Å; L448-M452 HydrophobicContact CG-SD 4.5Å; L448-M452 WeakPolarHBondContact O-CG 3.48Å; L448-M452 PolarHBondContact O-N 3.44Å
449M80.6Confident76.1Confident104 Ų10490.5 Ų90.551%0.51246%0.46SS..Hα-helixtrans-65.7-27.2179.4-65.9-63.6177.700113.6E445 Y447E445-M449 HydrophobicContact CG-CE 4.32Å; E445-M449 HydrophobicContact CG-CG 4.45Å; E445-M449 WeakPolarHBondContact O-CB 3.4Å; E445-M449 VanDerWaalsContact O-CG 3.31Å; E445-M449 WeakPolarHBondContact O-CG 3.49Å; E445-M449 PolarHBondContact O-N 2.77Å; Y447-M449 PolarHBondContact O-N 3.48Å
450K82.6Confident75.4Confident107 Ų10789.6 Ų89.647%0.46545%0.447SS..Hα-helixtrans-70.7-36.4168.3-76.2168.3-175.1173.20111.9T446 Y447 L448T446-K450 WeakPolarHBondContact O-CD 3.48Å; T446-K450 VanDerWaalsContact O-CG 3.26Å; T446-K450 WeakPolarHBondContact O-CG 3.2Å; T446-K450 PolarHBondContact O-N 2.13Å; Y447-K450 HydrophobicContact CD1-CD 4.49Å; Y447-K450 PolarHBondContact O-N 2.82Å; L448-K450 VanDerWaalsContact C-N 3.29Å; L448-K450 PolarHBondContact O-N 2.84Å
451H81.6Confident75Confident23 Ų2386 Ų8611%0.10644%0.437CS..Hα-helixtrans-75.4-36.7177168.759.5000112.9C435 C438 Y442 Y447 L448 R453 K454 H455C435-H451 PolarHBondContact SG-NE2 3.42Å; C438-H451 PolarHBondContact SG-NE2 3.23Å; Y442-H451 HydrophobicContact CE1-CB 4.22Å; Y442-H451 HydrophobicContact CE2-CB 4.08Å; Y442-H451 AromaticContact CE2-CD2 3.3Å; Y442-H451 WeakPolarHBondContact CE2-CD2 3.07Å; Y442-H451 AromaticContact CE2-CG 3.8Å; Y442-H451 AromaticContact CZ-CD2 3.55Å; Y442-H451 AromaticContact CZ-CG 3.56Å; Y442-H451 PolarHBondContact OH-CD2 3.45Å; Y442-H451 VanDerWaalsContact OH-CD2 3.29Å; Y442-H451 PolarHBondContact OH-ND1 3.14Å; Y447-H451 WeakPolarHBondContact O-CB 3.41Å; Y447-H451 PolarHBondContact O-N 2.8Å; L448-H451 CarbonylContact O-C 3.2Å; L448-H451 WeakPolarHBondContact O-CA 3.46Å; L448-H451 WeakPolarHBondContact O-CB 3.38Å; L448-H451 PolarHBondContact O-N 3.05Å; H451-R453 PolarHBondContact O-N 3.45Å; H451-K454 WeakPolarHBondContact O-CA 2.96Å; H451-K454 VanDerWaalsContact O-CB 3.3Å; H451-K454 WeakPolarHBondContact O-CB 3.24Å; H451-K454 PolarHBondContact O-N 3.23Å; H451-H455 AromaticContact CD2-NE2 3.55Å; H451-H455 AromaticContact CE1-CD2 3.61Å; H451-H455 AromaticContact CE1-NE2 2.6Å; H451-H455 PolarHBondContact CE1-NE2 2.85Å; H451-H455 AromaticContact ND1-NE2 3.78Å; H451-H455 AromaticContact NE2-CD2 3.5Å; H451-H455 AromaticContact NE2-NE2 2.35Å; H451-H455 PolarHBondContact NE2-NE2 3.38Å
452M77.9Confident74.7Confident43 Ų4389.4 Ų89.421%0.21244%0.441CS..Hα-helixtrans-60.6-32.8176.8-64.6-97.560.100111.5C435 I437 L448 K454 H455 N456C435-M452 VanDerWaalsContact SG-CE 3.53Å; I437-M452 HydrophobicContact CB-CE 4.49Å; I437-M452 HydrophobicContact CD1-CE 3.72Å; I437-M452 HydrophobicContact CG1-CE 4.09Å; L448-M452 HydrophobicContact CD1-CG 3.75Å; L448-M452 HydrophobicContact CD1-SD 4.09Å; L448-M452 HydrophobicContact CG-CG 3.94Å; L448-M452 HydrophobicContact CG-SD 4.5Å; L448-M452 WeakPolarHBondContact O-CG 3.48Å; L448-M452 PolarHBondContact O-N 3.44Å; M452-K454 PolarHBondContact O-N 2.92Å; M452-H455 HydrophobicContact CE-CB 4.38Å; M452-H455 PolarHBondContact O-N 3.39Å; M452-N456 PolarHBondContact O-N 2.98Å
453R80.8Confident74.5Confident175 Ų17592.6 Ų92.666%0.6646%0.458SS*.Hα-helixtrans-71.4-1.2170.6-69-171.9-65.3138.7-2115.3H451H451-R453 PolarHBondContact O-N 3.45Å
454K75Confident74.7Confident172 Ų17291 Ų9175%0.74845%0.448SS*.Hα-helixtrans-91.7-24.5163.4-63.3-164.6171.5-162.60112.5H451 M452H451-K454 WeakPolarHBondContact O-CA 2.96Å; H451-K454 VanDerWaalsContact O-CB 3.3Å; H451-K454 WeakPolarHBondContact O-CB 3.24Å; H451-K454 PolarHBondContact O-N 3.23Å; M452-K454 PolarHBondContact O-N 2.92Å
455H74.3Confident74.9Confident69 Ų6994.6 Ų94.632%0.31946%0.46SS..Hα-helixtrans-87.7-33.3175.2-71.1-60.9000112.5C435 I437 C438 H451 M452 P457C435-H455 VanDerWaalsContact SG-CD2 3.55Å; C435-H455 PolarHBondContact SG-NE2 3.28Å; I437-H455 HydrophobicContact CD1-CB 3.68Å; I437-H455 HydrophobicContact CG2-CB 4.31Å; C438-H455 WeakPolarHBondContact CB-CE1 3.36Å; C438-H455 VanDerWaalsContact CB-NE2 3.32Å; C438-H455 WeakPolarHBondContact CB-NE2 3.35Å; C438-H455 PolarHBondContact SG-CE1 3.36Å; C438-H455 PolarHBondContact SG-NE2 2.8Å; H451-H455 AromaticContact CD2-NE2 3.55Å; H451-H455 AromaticContact CE1-CD2 3.61Å; H451-H455 AromaticContact CE1-NE2 2.6Å; H451-H455 PolarHBondContact CE1-NE2 2.85Å; H451-H455 AromaticContact ND1-NE2 3.78Å; H451-H455 AromaticContact NE2-CD2 3.5Å; H451-H455 AromaticContact NE2-NE2 2.35Å; H451-H455 PolarHBondContact NE2-NE2 3.38Å; M452-H455 HydrophobicContact CE-CB 4.38Å; M452-H455 PolarHBondContact O-N 3.39Å; H455-P457 VanDerWaalsContact O-CD 3.23Å; H455-P457 WeakPolarHBondContact O-CD 3.36Å
456N70.6Confident75.1Confident73 Ų7393.1 Ų93.139%0.3946%0.463SS..SBendtrans-108.580.8162.7-169.8-12.5000108.8M452 Q461M452-N456 PolarHBondContact O-N 2.98Å; N456-Q461 PolarHBondContact ND2-OE1 3.08Å
457P62.9Low75.4Confident48 Ų4892 Ų9231%0.31246%0.463SS..  trans-66142.2165.230.6-33.1000108.5H455 D459 L460 Q461H455-P457 VanDerWaalsContact O-CD 3.23Å; H455-P457 WeakPolarHBondContact O-CD 3.36Å; P457-D459 PolarHBondContact O-N 3.38Å; P457-D459 VanDerWaalsContact O-N 3.08Å; P457-L460 HydrophobicContact CG-CB 3.86Å; P457-L460 PolarHBondContact O-N 2.91Å; P457-Q461 PolarHBondContact O-N 3.11Å
458P59.2Low75.8Confident105 Ų10588.4 Ų88.468%0.68246%0.461SS*.Hα-helixtrans-58.6-29.4-175.924.6-34.4000112.6Q461 Q462P458-Q461 PolarHBondContact O-N 2.81Å; P458-Q462 WeakPolarHBondContact O-CB 3.36Å; P458-Q462 PolarHBondContact O-N 2.88Å
459D62.9Low76.2Confident122 Ų12290.4 Ų90.465%0.65248%0.48SS*.Hα-helixtrans-57.2-48175.3-155.4-109.7000112.5P457 Q461 Q462 Q463P457-D459 PolarHBondContact O-N 3.38Å; P457-D459 VanDerWaalsContact O-N 3.08Å; D459-Q461 PolarHBondContact O-N 3.06Å; D459-Q462 CarbonylContact O-C 3.6Å; D459-Q462 PolarHBondContact O-N 2.95Å; D459-Q463 VanDerWaalsContact O-CB 3.27Å; D459-Q463 WeakPolarHBondContact O-CB 3.5Å; D459-Q463 PolarHBondContact O-N 3.03Å
460L66.4Low76.6Confident83 Ų8388.4 Ų88.444%0.43548%0.48SS..Hα-helixtrans-67.5-39.7179.8-175.367.6000111.8P457 Q462 Q463 V464P457-L460 HydrophobicContact CG-CB 3.86Å; P457-L460 PolarHBondContact O-N 2.91Å; L460-Q462 VanDerWaalsContact C-N 3.3Å; L460-Q462 PolarHBondContact O-N 3.19Å; L460-Q463 PolarHBondContact O-N 3.38Å; L460-V464 WeakPolarHBondContact O-CB 3.5Å; L460-V464 WeakPolarHBondContact O-CG2 3.49Å; L460-V464 PolarHBondContact O-N 3.26Å
461Q70.1Confident77.1Confident83 Ų8385.7 Ų85.739%0.38848%0.478SS..Hα-helixtrans-62-41.2175.1-16966.875.700111.3N456 P457 P458 D459 Q465N456-Q461 PolarHBondContact ND2-OE1 3.08Å; P457-Q461 PolarHBondContact O-N 3.11Å; P458-Q461 PolarHBondContact O-N 2.81Å; D459-Q461 PolarHBondContact O-N 3.06Å; Q461-Q465 WeakPolarHBondContact O-CB 3.22Å; Q461-Q465 VanDerWaalsContact O-CG 3.24Å; Q461-Q465 WeakPolarHBondContact O-CG 3.41Å; Q461-Q465 PolarHBondContact O-N 3.38Å; Q461-Q465 VanDerWaalsContact O-N 3.11Å
462Q72.9Confident77.7Confident136 Ų13687.1 Ų87.164%0.63649%0.493SS*.Hα-helixtrans-74.1-34.7179.1-172.3145.18.300112.3P458 D459 L460 Q465 A466P458-Q462 WeakPolarHBondContact O-CB 3.36Å; P458-Q462 PolarHBondContact O-N 2.88Å; D459-Q462 CarbonylContact O-C 3.6Å; D459-Q462 PolarHBondContact O-N 2.95Å; L460-Q462 VanDerWaalsContact C-N 3.3Å; L460-Q462 PolarHBondContact O-N 3.19Å; Q462-Q465 PolarHBondContact O-N 3.07Å; Q462-A466 WeakPolarHBondContact O-CB 3.41Å; Q462-A466 PolarHBondContact O-N 2.88Å
463Q74.3Confident78.5Confident119 Ų11989 Ų8956%0.55651%0.507SS*.Hα-helixtrans-66-42.6174-169.118027.700111.5D459 L460 Q465 A466 A467D459-Q463 VanDerWaalsContact O-CB 3.27Å; D459-Q463 WeakPolarHBondContact O-CB 3.5Å; D459-Q463 PolarHBondContact O-N 3.03Å; L460-Q463 PolarHBondContact O-N 3.38Å; Q463-Q465 VanDerWaalsContact C-N 3.34Å; Q463-A466 PolarHBondContact O-N 3.1Å; Q463-A467 WeakPolarHBondContact O-CB 3.27Å; Q463-A467 PolarHBondContact O-N 3.32Å
464V80.3Confident79.1Confident84 Ų8483.2 Ų83.251%0.50950%0.497SS..Hα-helixtrans-63.4-39.9173169.50000111.3L460 A468L460-V464 WeakPolarHBondContact O-CB 3.5Å; L460-V464 WeakPolarHBondContact O-CG2 3.49Å; L460-V464 PolarHBondContact O-N 3.26Å; V464-A468 WeakPolarHBondContact O-CB 3.18Å; V464-A468 PolarHBondContact O-N 3.49Å
465Q81.3Confident80Confident117 Ų11781.2 Ų81.255%0.54749%0.49SS..Hα-helixtrans-67.6-39.4175.8-74.5167.6-16.900112.5Q461 Q462 Q463 A468 A469Q461-Q465 WeakPolarHBondContact O-CB 3.22Å; Q461-Q465 VanDerWaalsContact O-CG 3.24Å; Q461-Q465 WeakPolarHBondContact O-CG 3.41Å; Q461-Q465 PolarHBondContact O-N 3.38Å; Q461-Q465 VanDerWaalsContact O-N 3.11Å; Q462-Q465 PolarHBondContact O-N 3.07Å; Q463-Q465 VanDerWaalsContact C-N 3.34Å; Q465-A468 PolarHBondContact O-N 3.26Å; Q465-A469 WeakPolarHBondContact O-CB 3.42Å; Q465-A469 PolarHBondContact O-N 3.48Å
466A81.6Confident80.9Confident58 Ų5880.5 Ų80.548%0.47950%0.496SS..Hα-helixtrans-66.5-42174.800000112Q462 Q463 A469 A470Q462-A466 WeakPolarHBondContact O-CB 3.41Å; Q462-A466 PolarHBondContact O-N 2.88Å; Q463-A466 PolarHBondContact O-N 3.1Å; A466-A469 PolarHBondContact O-N 3.37Å; A466-A470 WeakPolarHBondContact O-CB 3.49Å; A466-A470 PolarHBondContact O-N 2.97Å
467A83.9Confident82.1Confident59 Ų5982.6 Ų82.649%0.48850%0.504SS..Hα-helixtrans-63.3-42.1174.800000112Q463 A470 A471Q463-A467 WeakPolarHBondContact O-CB 3.27Å; Q463-A467 PolarHBondContact O-N 3.32Å; A467-A470 PolarHBondContact O-N 3.47Å; A467-A471 WeakPolarHBondContact O-CB 3.42Å; A467-A471 PolarHBondContact O-N 3.41Å
468A89Confident83.6Confident61 Ų6183 Ų8350%0.50451%0.51SS..Hα-helixtrans-64.1-40174.600000112.3V464 Q465 A471 A472V464-A468 WeakPolarHBondContact O-CB 3.18Å; V464-A468 PolarHBondContact O-N 3.49Å; Q465-A468 PolarHBondContact O-N 3.26Å; A468-A471 PolarHBondContact O-N 3.41Å; A468-A472 WeakPolarHBondContact O-CB 3.37Å; A468-A472 PolarHBondContact O-N 3.47Å
469A90.9Very high85.3Confident57 Ų5784 Ų8447%0.47151%0.506SS..Hα-helixtrans-65.2-43.1174.700000112.1Q465 A466 A472 V473Q465-A469 WeakPolarHBondContact O-CB 3.42Å; Q465-A469 PolarHBondContact O-N 3.48Å; A466-A469 PolarHBondContact O-N 3.37Å; A469-A472 PolarHBondContact O-N 3.38Å; A469-V473 WeakPolarHBondContact O-CG2 3.39Å; A469-V473 PolarHBondContact O-N 3.22Å
470A90.8Very high86.9Confident62 Ų6280.9 Ų80.951%0.51250%0.497SS..Hα-helixtrans-62.6-41.6175.600000112.1A466 A467 V473 A474A466-A470 WeakPolarHBondContact O-CB 3.49Å; A466-A470 PolarHBondContact O-N 2.97Å; A467-A470 PolarHBondContact O-N 3.47Å; A470-V473 PolarHBondContact O-N 2.86Å; A470-A474 PolarHBondContact O-N 2.93Å
471A92.4Very high88.2Confident51 Ų5183.1 Ų83.142%0.42151%0.505SS..Hα-helixtrans-62.9-40.4174.600000112.4A467 A468 A474 Q475A467-A471 WeakPolarHBondContact O-CB 3.42Å; A467-A471 PolarHBondContact O-N 3.41Å; A468-A471 PolarHBondContact O-N 3.41Å; A471-A474 PolarHBondContact O-N 3.34Å; A471-Q475 WeakPolarHBondContact O-CG 3.26Å; A471-Q475 PolarHBondContact O-N 3.21Å
472A93.9Very high89.4Confident53 Ų5381.8 Ų81.844%0.43851%0.508SS..Hα-helixtrans-65.4-38.9175.400000112.5A468 A469 Q475 A476A468-A472 WeakPolarHBondContact O-CB 3.37Å; A468-A472 PolarHBondContact O-N 3.47Å; A469-A472 PolarHBondContact O-N 3.38Å; A472-Q475 PolarHBondContact O-N 3.48Å; A472-A476 WeakPolarHBondContact O-CB 3.26Å; A472-A476 PolarHBondContact O-N 3.19Å
473V94.2Very high90.5Very high81 Ų8181.3 Ų81.349%0.49151%0.506SS..Hα-helixtrans-64.2-44.2173.6171.30000111.2A469 A470 Q475 A476 Q477A469-V473 WeakPolarHBondContact O-CG2 3.39Å; A469-V473 PolarHBondContact O-N 3.22Å; A470-V473 PolarHBondContact O-N 2.86Å; V473-Q475 VanDerWaalsContact C-N 3.34Å; V473-Q475 PolarHBondContact O-N 3.15Å; V473-A476 PolarHBondContact O-N 3.17Å; V473-Q477 HydrophobicContact CG1-CG 4.44Å; V473-Q477 WeakPolarHBondContact O-CB 3.34Å; V473-Q477 WeakPolarHBondContact O-CG 3.36Å; V473-Q477 PolarHBondContact O-N 3.27Å
474A93.8Very high91.5Very high55 Ų5578.2 Ų78.246%0.45550%0.501SS..Hα-helixtrans-62.3-39.9176.500000112.2A470 A471 Q477 A478A470-A474 PolarHBondContact O-N 2.93Å; A471-A474 PolarHBondContact O-N 3.34Å; A474-Q477 PolarHBondContact O-N 3.5Å; A474-A478 WeakPolarHBondContact O-CB 3.42Å; A474-A478 PolarHBondContact O-N 3.34Å
475Q94.4Very high92.2Very high129 Ų12980.4 Ų80.460%0.60351%0.506SS*.Hα-helixtrans-64-43.4173.8-75.2177.6-8.900112.2A471 A472 V473 A478 Q479A471-Q475 WeakPolarHBondContact O-CG 3.26Å; A471-Q475 PolarHBondContact O-N 3.21Å; A472-Q475 PolarHBondContact O-N 3.48Å; V473-Q475 VanDerWaalsContact C-N 3.34Å; V473-Q475 PolarHBondContact O-N 3.15Å; Q475-A478 PolarHBondContact O-N 3.27Å; Q475-Q479 WeakPolarHBondContact O-CB 3.46Å; Q475-Q479 WeakPolarHBondContact O-CG 3.45Å; Q475-Q479 PolarHBondContact O-N 3.15Å
476A93.9Very high92.9Very high54 Ų5477.5 Ų77.545%0.44650%0.502SS..Hα-helixtrans-64.2-39.1176.300000112.3A472 V473 Q479 A480A472-A476 WeakPolarHBondContact O-CB 3.26Å; A472-A476 PolarHBondContact O-N 3.19Å; V473-A476 PolarHBondContact O-N 3.17Å; A476-Q479 PolarHBondContact O-N 2.59Å; A476-A480 WeakPolarHBondContact O-CB 3.47Å; A476-A480 PolarHBondContact O-N 3.12Å
477Q94.8Very high93.5Very high118 Ų11880.7 Ų80.755%0.55151%0.507SS*.Hα-helixtrans-64.5-44.6174.5-74.7174.6-22.700112V473 A474 Q479 A480 Q481V473-Q477 HydrophobicContact CG1-CG 4.44Å; V473-Q477 WeakPolarHBondContact O-CB 3.34Å; V473-Q477 WeakPolarHBondContact O-CG 3.36Å; V473-Q477 PolarHBondContact O-N 3.27Å; A474-Q477 PolarHBondContact O-N 3.5Å; Q477-Q479 VanDerWaalsContact C-N 3.35Å; Q477-Q479 PolarHBondContact O-N 3.36Å; Q477-A480 PolarHBondContact O-N 3.01Å; Q477-Q481 WeakPolarHBondContact O-CG 3.37Å; Q477-Q481 PolarHBondContact O-N 3.22Å
478A94.8Very high94Very high55 Ų5580.5 Ų80.546%0.45551%0.505SS..Hα-helixtrans-62.9-39.8175.800000112.2A474 Q475 Q481 A482A474-A478 WeakPolarHBondContact O-CB 3.42Å; A474-A478 PolarHBondContact O-N 3.34Å; Q475-A478 PolarHBondContact O-N 3.27Å; A478-Q481 PolarHBondContact O-N 2.6Å; A478-A482 WeakPolarHBondContact O-CB 3.09Å; A478-A482 PolarHBondContact O-N 3.15Å
479Q95.2Very high94.3Very high128 Ų12883.8 Ų83.860%0.59851%0.51SS*.Hα-helixtrans-64.2-43.6174.3-74.6175.8-5.200112.2Q475 A476 Q477 A482 Q483Q475-Q479 WeakPolarHBondContact O-CB 3.46Å; Q475-Q479 WeakPolarHBondContact O-CG 3.45Å; Q475-Q479 PolarHBondContact O-N 3.15Å; A476-Q479 PolarHBondContact O-N 2.59Å; Q477-Q479 VanDerWaalsContact C-N 3.35Å; Q477-Q479 PolarHBondContact O-N 3.36Å; Q479-A482 PolarHBondContact O-N 3.05Å; Q479-Q483 WeakPolarHBondContact O-CB 3.4Å; Q479-Q483 WeakPolarHBondContact O-CG 3.4Å; Q479-Q483 PolarHBondContact O-N 2.94Å
480A95.1Very high94.5Very high55 Ų5583.7 Ų83.746%0.45551%0.509SS..Hα-helixtrans-63.9-40176.300000112.2A476 Q477 Q483 A484A476-A480 WeakPolarHBondContact O-CB 3.47Å; A476-A480 PolarHBondContact O-N 3.12Å; Q477-A480 PolarHBondContact O-N 3.01Å; A480-Q483 PolarHBondContact O-N 2.85Å; A480-A484 WeakPolarHBondContact O-CB 3.45Å; A480-A484 PolarHBondContact O-N 2.8Å
481Q95.3Very high94.7Very high130 Ų13086.8 Ų86.861%0.60751%0.513SS*.Hα-helixtrans-63.9-44.8174.6-74.7175.4-12.500112Q477 A478 Q483 A484 Q485Q477-Q481 WeakPolarHBondContact O-CG 3.37Å; Q477-Q481 PolarHBondContact O-N 3.22Å; A478-Q481 PolarHBondContact O-N 2.6Å; Q481-Q483 VanDerWaalsContact C-N 3.35Å; Q481-Q483 PolarHBondContact O-N 3.35Å; Q481-A484 PolarHBondContact O-N 3.12Å; Q481-Q485 WeakPolarHBondContact O-CG 3.49Å; Q481-Q485 PolarHBondContact O-N 3.12Å
482A95.6Very high94.8Very high55 Ų5587 Ų8746%0.45551%0.514SS..Hα-helixtrans-62.9-39.6176.200000112.3A478 Q479 Q485 A486A478-A482 WeakPolarHBondContact O-CB 3.09Å; A478-A482 PolarHBondContact O-N 3.15Å; Q479-A482 PolarHBondContact O-N 3.05Å; A482-Q485 PolarHBondContact O-N 3.28Å; A482-A486 WeakPolarHBondContact O-CB 3.48Å; A482-A486 PolarHBondContact O-N 2.9Å
483Q95.5Very high94.8Very high126 Ų12690.5 Ų90.559%0.58952%0.522SS*.Hα-helixtrans-64.8-43.5174.5-74.6176-3.800112.1Q479 A480 Q481 A486 Q487Q479-Q483 WeakPolarHBondContact O-CB 3.4Å; Q479-Q483 WeakPolarHBondContact O-CG 3.4Å; Q479-Q483 PolarHBondContact O-N 2.94Å; A480-Q483 PolarHBondContact O-N 2.85Å; Q481-Q483 VanDerWaalsContact C-N 3.35Å; Q481-Q483 PolarHBondContact O-N 3.35Å; Q483-A486 PolarHBondContact O-N 3.19Å; Q483-Q487 WeakPolarHBondContact O-CB 3.37Å; Q483-Q487 WeakPolarHBondContact O-CG 3.36Å; Q483-Q487 PolarHBondContact O-N 3.48Å
484A95.1Very high94.8Very high55 Ų5589.2 Ų89.246%0.45552%0.52SS..Hα-helixtrans-63.4-40.7176.300000112.2A480 Q481 Q487 A488A480-A484 WeakPolarHBondContact O-CB 3.45Å; A480-A484 PolarHBondContact O-N 2.8Å; Q481-A484 PolarHBondContact O-N 3.12Å; A484-Q487 PolarHBondContact O-N 3.11Å; A484-A488 WeakPolarHBondContact O-CB 3.26Å; A484-A488 PolarHBondContact O-N 3.22Å
485Q95.2Very high94.8Very high130 Ų13092.6 Ų92.661%0.60753%0.526SS*.Hα-helixtrans-63.6-44.4174.5-74.3176.2-9.900112.1Q481 A482 Q487 A488 Q489Q481-Q485 WeakPolarHBondContact O-CG 3.49Å; Q481-Q485 PolarHBondContact O-N 3.12Å; A482-Q485 PolarHBondContact O-N 3.28Å; Q485-Q487 PolarHBondContact O-N 2.94Å; Q485-A488 PolarHBondContact O-N 2.83Å; Q485-Q489 WeakPolarHBondContact O-CG 3.36Å; Q485-Q489 PolarHBondContact O-N 3.45Å
486A95.3Very high94.7Very high55 Ų5589.1 Ų89.146%0.45552%0.519SS..Hα-helixtrans-63-39.7176.200000112.3A482 Q483 Q489 A490A482-A486 WeakPolarHBondContact O-CB 3.48Å; A482-A486 PolarHBondContact O-N 2.9Å; Q483-A486 PolarHBondContact O-N 3.19Å; A486-Q489 PolarHBondContact O-N 3.36Å; A486-A490 WeakPolarHBondContact O-CB 3.5Å; A486-A490 PolarHBondContact O-N 2.94Å
487Q95.3Very high94.7Very high126 Ų12692.6 Ų92.659%0.58953%0.526SS*.Hα-helixtrans-64.9-43.4174.5-74.2175.9-3.600112.2Q483 A484 Q485 A490 Q491Q483-Q487 WeakPolarHBondContact O-CB 3.37Å; Q483-Q487 WeakPolarHBondContact O-CG 3.36Å; Q483-Q487 PolarHBondContact O-N 3.48Å; A484-Q487 PolarHBondContact O-N 3.11Å; Q485-Q487 PolarHBondContact O-N 2.94Å; Q487-A490 PolarHBondContact O-N 3.33Å; Q487-Q491 WeakPolarHBondContact O-CG 3.46Å; Q487-Q491 PolarHBondContact O-N 3.29Å
488A94.8Very high94.6Very high55 Ų5589.5 Ų89.546%0.45552%0.521SS..Hα-helixtrans-63.2-40.9176.200000112.1A484 Q485 Q491 A492A484-A488 WeakPolarHBondContact O-CB 3.26Å; A484-A488 PolarHBondContact O-N 3.22Å; Q485-A488 PolarHBondContact O-N 2.83Å; A488-Q491 PolarHBondContact O-N 3.49Å; A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 3.15Å
489Q94.6Very high94.5Very high130 Ų13092.7 Ų92.761%0.60753%0.527SS*.Hα-helixtrans-63.7-44174.4-74176.5-7.400112.1Q485 A486 Q491 A492 Q493Q485-Q489 WeakPolarHBondContact O-CG 3.36Å; Q485-Q489 PolarHBondContact O-N 3.45Å; A486-Q489 PolarHBondContact O-N 3.36Å; Q489-Q491 PolarHBondContact O-N 3.5Å; Q489-A492 PolarHBondContact O-N 2.88Å; Q489-Q493 WeakPolarHBondContact O-CB 3.46Å; Q489-Q493 WeakPolarHBondContact O-CG 3.49Å; Q489-Q493 PolarHBondContact O-N 2.94Å
490A95.1Very high94.4Very high54 Ų5489.2 Ų89.245%0.44652%0.52SS..Hα-helixtrans-63.1-40176.300000112.3A486 Q487 Q493 A494A486-A490 WeakPolarHBondContact O-CB 3.5Å; A486-A490 PolarHBondContact O-N 2.94Å; Q487-A490 PolarHBondContact O-N 3.33Å; A490-Q493 PolarHBondContact O-N 2.95Å; A490-A494 WeakPolarHBondContact O-CB 3.36Å; A490-A494 PolarHBondContact O-N 2.86Å
491Q94.6Very high94.2Very high128 Ų12892.9 Ų92.960%0.59853%0.528SS*.Hα-helixtrans-64.8-43.8174.5-74176.8-1.800112.1Q487 A488 Q489 Q493 A494 Q495Q487-Q491 WeakPolarHBondContact O-CG 3.46Å; Q487-Q491 PolarHBondContact O-N 3.29Å; A488-Q491 PolarHBondContact O-N 3.49Å; Q489-Q491 PolarHBondContact O-N 3.5Å; Q491-Q493 PolarHBondContact O-N 2.84Å; Q491-A494 PolarHBondContact O-N 2.9Å; Q491-Q495 WeakPolarHBondContact O-CG 3.08Å; Q491-Q495 PolarHBondContact O-N 2.85Å
492A94.2Very high94Very high54 Ų5488.9 Ų88.945%0.44652%0.517SS..Hα-helixtrans-63.1-40.6176.200000112.2A488 Q489 Q495 A496A488-A492 WeakPolarHBondContact O-CB 3.48Å; A488-A492 PolarHBondContact O-N 3.15Å; Q489-A492 PolarHBondContact O-N 2.88Å; A492-Q495 PolarHBondContact O-N 3.45Å; A492-A496 WeakPolarHBondContact O-CB 3.39Å; A492-A496 PolarHBondContact O-N 2.95Å
493Q94.1Very high93.7Very high127 Ų12792.4 Ų92.459%0.59352%0.524SS*.Hα-helixtrans-63.9-43.8174.4-74.1176-300112.1Q489 A490 Q491 Q495 A496 Q497Q489-Q493 WeakPolarHBondContact O-CB 3.46Å; Q489-Q493 WeakPolarHBondContact O-CG 3.49Å; Q489-Q493 PolarHBondContact O-N 2.94Å; A490-Q493 PolarHBondContact O-N 2.95Å; Q491-Q493 PolarHBondContact O-N 2.84Å; Q493-Q495 PolarHBondContact O-N 3.2Å; Q493-A496 PolarHBondContact O-N 3.38Å; Q493-Q497 WeakPolarHBondContact O-CG 3.47Å; Q493-Q497 PolarHBondContact O-N 2.78Å
494A94.3Very high93.4Very high55 Ų5589.4 Ų89.446%0.45552%0.52SS..Hα-helixtrans-63.4-40176.200000112.3A490 Q491 Q497 A498A490-A494 WeakPolarHBondContact O-CB 3.36Å; A490-A494 PolarHBondContact O-N 2.86Å; Q491-A494 PolarHBondContact O-N 2.9Å; A494-Q497 PolarHBondContact O-N 3.45Å; A494-A498 WeakPolarHBondContact O-CB 3.18Å; A494-A498 PolarHBondContact O-N 3.05Å
495Q93.9Very high93.1Very high126 Ų12689.8 Ų89.859%0.58952%0.52SS*.Hα-helixtrans-64.6-43.9174.4-73.7176.41.100112Q491 A492 Q493 Q497 A498 Q499Q491-Q495 WeakPolarHBondContact O-CG 3.08Å; Q491-Q495 PolarHBondContact O-N 2.85Å; A492-Q495 PolarHBondContact O-N 3.45Å; Q493-Q495 PolarHBondContact O-N 3.2Å; Q495-Q497 PolarHBondContact O-N 3.23Å; Q495-A498 PolarHBondContact O-N 3.13Å; Q495-Q499 WeakPolarHBondContact O-CG 3.38Å; Q495-Q499 PolarHBondContact O-N 3.35Å
496A93.4Very high92.7Very high55 Ų5589.2 Ų89.246%0.45552%0.517SS..Hα-helixtrans-63.1-40.4176.400000112.2A492 Q493 Q499 A500A492-A496 WeakPolarHBondContact O-CB 3.39Å; A492-A496 PolarHBondContact O-N 2.95Å; Q493-A496 PolarHBondContact O-N 3.38Å; A496-Q499 PolarHBondContact O-N 3.42Å; A496-A500 WeakPolarHBondContact O-CB 3.37Å; A496-A500 PolarHBondContact O-N 2.86Å
497Q93.3Very high92.1Very high127 Ų12789.2 Ų89.259%0.59352%0.517SS*.Hα-helixtrans-64-43.8174.3-73.7175.4-0.800112Q493 A494 Q495 Q499 A500 Q501Q493-Q497 WeakPolarHBondContact O-CG 3.47Å; Q493-Q497 PolarHBondContact O-N 2.78Å; A494-Q497 PolarHBondContact O-N 3.45Å; Q495-Q497 PolarHBondContact O-N 3.23Å; Q497-Q499 PolarHBondContact O-N 2.77Å; Q497-A500 PolarHBondContact O-N 3.41Å; Q497-Q501 WeakPolarHBondContact O-CG 3.47Å; Q497-Q501 PolarHBondContact O-N 3.49Å
498A93.1Very high91.6Very high54 Ų5486.2 Ų86.245%0.44651%0.51SS..Hα-helixtrans-63.7-39.6176.200000112.3A494 Q495 Q501 A502A494-A498 WeakPolarHBondContact O-CB 3.18Å; A494-A498 PolarHBondContact O-N 3.05Å; Q495-A498 PolarHBondContact O-N 3.13Å; A498-Q501 PolarHBondContact O-N 3.02Å; A498-A502 WeakPolarHBondContact O-CB 3.42Å; A498-A502 PolarHBondContact O-N 3.3Å
499Q92.7Very high91Very high122 Ų12289.6 Ų89.657%0.5752%0.516SS*.Hα-helixtrans-64.5-43.9174.3-73.7175.42.900112Q495 A496 Q497 Q501 A502 Q503Q495-Q499 WeakPolarHBondContact O-CG 3.38Å; Q495-Q499 PolarHBondContact O-N 3.35Å; A496-Q499 PolarHBondContact O-N 3.42Å; Q497-Q499 PolarHBondContact O-N 2.77Å; Q499-Q501 PolarHBondContact O-N 2.73Å; Q499-A502 PolarHBondContact O-N 3.35Å; Q499-Q503 WeakPolarHBondContact O-CG 3.46Å; Q499-Q503 PolarHBondContact O-N 2.94Å
500A91.7Very high90.3Very high54 Ų5489.2 Ų89.245%0.44651%0.514SS..Hα-helixtrans-63.2-40.5176.100000112.3A496 Q497 Q503 A504A496-A500 WeakPolarHBondContact O-CB 3.37Å; A496-A500 PolarHBondContact O-N 2.86Å; Q497-A500 PolarHBondContact O-N 3.41Å; A500-Q503 PolarHBondContact O-N 3.07Å; A500-A504 WeakPolarHBondContact O-CB 3.47Å; A500-A504 PolarHBondContact O-N 2.75Å
501Q91.1Very high89.4Confident133 Ų13392.8 Ų92.862%0.62152%0.522SS*.Hα-helixtrans-63.4-42.4173.6-73.5175.6-2.200111.8Q497 A498 Q499 A504 S505Q497-Q501 WeakPolarHBondContact O-CG 3.47Å; Q497-Q501 PolarHBondContact O-N 3.49Å; A498-Q501 PolarHBondContact O-N 3.02Å; Q499-Q501 PolarHBondContact O-N 2.73Å; Q501-A504 PolarHBondContact O-N 2.91Å; Q501-S505 WeakPolarHBondContact O-CB 3.26Å; Q501-S505 PolarHBondContact O-N 3.12Å; Q501-S505 PolarHBondContact O-OG 2.89Å
502A90.8Very high88.4Confident46 Ų4692.9 Ų92.938%0.3852%0.522SS..Hα-helixtrans-63.4-42.5176.500000112A498 Q499 S505 Q506A498-A502 WeakPolarHBondContact O-CB 3.42Å; A498-A502 PolarHBondContact O-N 3.3Å; Q499-A502 PolarHBondContact O-N 3.35Å; A502-S505 WeakPolarHBondContact O-CB 3.44Å; A502-S505 PolarHBondContact O-N 2.86Å; A502-Q506 WeakPolarHBondContact O-CG 3.46Å; A502-Q506 PolarHBondContact O-N 3.48Å
503Q90.1Very high87.3Confident129 Ų12996.2 Ų96.260%0.60353%0.529SS*.Hα-helixtrans-63.6-44.2175.1-73173.9-3.900112Q499 A500 S505 Q506 A507Q499-Q503 WeakPolarHBondContact O-CG 3.46Å; Q499-Q503 PolarHBondContact O-N 2.94Å; A500-Q503 PolarHBondContact O-N 3.07Å; Q503-S505 VanDerWaalsContact C-N 3.29Å; Q503-S505 PolarHBondContact O-N 3.26Å; Q503-Q506 PolarHBondContact O-N 2.86Å; Q503-A507 WeakPolarHBondContact O-CB 3.21Å; Q503-A507 PolarHBondContact O-N 3Å
504A88.8Confident86Confident62 Ų6296.3 Ų96.351%0.51253%0.529SS..Hα-helixtrans-62.2-35.8174.700000112.6A500 Q501 S508A500-A504 WeakPolarHBondContact O-CB 3.47Å; A500-A504 PolarHBondContact O-N 2.75Å; Q501-A504 PolarHBondContact O-N 2.91Å; A504-S508 WeakPolarHBondContact O-CB 3.4Å; A504-S508 PolarHBondContact O-N 3.12Å; A504-S508 PolarHBondContact O-OG 3.37Å
505S88.8Confident84.5Confident64 Ų64101 Ų10145%0.44854%0.542SS..Hα-helixtrans-67.3-39175.3-55.60000112Q501 A502 Q503 S508 Q509Q501-S505 WeakPolarHBondContact O-CB 3.26Å; Q501-S505 PolarHBondContact O-N 3.12Å; Q501-S505 PolarHBondContact O-OG 2.89Å; A502-S505 WeakPolarHBondContact O-CB 3.44Å; A502-S505 PolarHBondContact O-N 2.86Å; Q503-S505 VanDerWaalsContact C-N 3.29Å; Q503-S505 PolarHBondContact O-N 3.26Å; S505-S508 PolarHBondContact O-OG 2.85Å; S505-S508 VanDerWaalsContact O-OG 3.1Å; S505-Q509 WeakPolarHBondContact O-CG 3.47Å; S505-Q509 PolarHBondContact O-N 2.98Å
506Q87.1Confident82.9Confident118 Ų118102.9 Ų102.955%0.55155%0.551SS**Hα-helixtrans-70.9-42.8175.3-71.1173.9700112.1A502 Q503 S508 Q509 Q510A502-Q506 WeakPolarHBondContact O-CG 3.46Å; A502-Q506 PolarHBondContact O-N 3.48Å; Q503-Q506 PolarHBondContact O-N 2.86Å; Q506-S508 PolarHBondContact O-N 3.27Å; Q506-Q509 PolarHBondContact O-N 3.29Å; Q506-Q510 WeakPolarHBondContact O-CG 3.37Å; Q506-Q510 PolarHBondContact O-N 2.8Å
507A83.6Confident81.3Confident54 Ų54107.7 Ų107.745%0.44656%0.564SS.*Hα-helixtrans-62.3-43179.200000112Q503 Q510 Q511Q503-A507 WeakPolarHBondContact O-CB 3.21Å; Q503-A507 PolarHBondContact O-N 3Å; A507-Q510 PolarHBondContact O-N 2.9Å; A507-Q511 WeakPolarHBondContact O-CB 3.18Å; A507-Q511 PolarHBondContact O-N 3.31Å
508S83.9Confident79.3Confident64 Ų64109.5 Ų109.545%0.44857%0.572SS.*Hα-helixtrans-65.6-37.4176.547.40000112.7A504 S505 Q506 Q511 Q512A504-S508 WeakPolarHBondContact O-CB 3.4Å; A504-S508 PolarHBondContact O-N 3.12Å; A504-S508 PolarHBondContact O-OG 3.37Å; S505-S508 PolarHBondContact O-OG 2.85Å; S505-S508 VanDerWaalsContact O-OG 3.1Å; Q506-S508 PolarHBondContact O-N 3.27Å; S508-Q511 PolarHBondContact O-N 3.43Å; S508-Q512 WeakPolarHBondContact O-CB 3.14Å; S508-Q512 PolarHBondContact O-N 3.02Å
509Q81.3Confident77.5Confident125 Ų125112.2 Ų112.258%0.58459%0.585SS**Hα-helixtrans-63.5-43.2171.8-73.6177.113.400112.6S505 Q506 Q512 Q513S505-Q509 WeakPolarHBondContact O-CG 3.47Å; S505-Q509 PolarHBondContact O-N 2.98Å; Q506-Q509 PolarHBondContact O-N 3.29Å; Q509-Q512 PolarHBondContact O-N 3.05Å; Q509-Q513 PolarHBondContact O-N 3.5Å
510Q79.6Confident75.2Confident122 Ų122112 Ų11257%0.5759%0.594SS**Hα-helixtrans-63.2-42.4175.8-71.2179.29.400112Q506 A507 Q512 Q513 Q514Q506-Q510 WeakPolarHBondContact O-CG 3.37Å; Q506-Q510 PolarHBondContact O-N 2.8Å; A507-Q510 PolarHBondContact O-N 2.9Å; Q510-Q512 VanDerWaalsContact C-N 3.3Å; Q510-Q512 PolarHBondContact O-N 3.4Å; Q510-Q513 PolarHBondContact O-N 3.44Å; Q510-Q514 PolarHBondContact O-N 3.4Å
511Q76.8Confident73.3Confident130 Ų130115.5 Ų115.561%0.60761%0.612SS**Hα-helixtrans-64.7-36.2178.4-161.2169.639.200111.8A507 S508 Q514 Q515A507-Q511 WeakPolarHBondContact O-CB 3.18Å; A507-Q511 PolarHBondContact O-N 3.31Å; S508-Q511 PolarHBondContact O-N 3.43Å; Q511-Q514 PolarHBondContact O-N 3.47Å; Q511-Q515 PolarHBondContact O-N 3.05Å; Q511-Q515 VanDerWaalsContact O-N 3.09Å
512Q74.2Confident71Confident129 Ų129118.7 Ų118.760%0.60363%0.627SS**Hα-helixtrans-70.8-32.4175.2-164167.154.800112.8S508 Q509 Q510S508-Q512 WeakPolarHBondContact O-CB 3.14Å; S508-Q512 PolarHBondContact O-N 3.02Å; Q509-Q512 PolarHBondContact O-N 3.05Å; Q510-Q512 VanDerWaalsContact C-N 3.3Å; Q510-Q512 PolarHBondContact O-N 3.4Å
513Q71.8Confident68.5Low125 Ų125125.4 Ų125.458%0.58465%0.648SS**Hα-helixtrans-68.8-40.3169.9-73.3-178.4-3.500112.3Q509 Q510 Q515 Q516Q509-Q513 PolarHBondContact O-N 3.5Å; Q510-Q513 PolarHBondContact O-N 3.44Å; Q513-Q515 PolarHBondContact O-N 3.19Å; Q513-Q516 PolarHBondContact O-N 2.94Å
514Q66.3Low66Low129 Ų129128.7 Ų128.760%0.60366%0.663SS**Hα-helixtrans-65.4-36.1177.2-73.2-177.2000112.7Q510 Q511 Q516 Q517Q510-Q514 PolarHBondContact O-N 3.4Å; Q511-Q514 PolarHBondContact O-N 3.47Å; Q514-Q516 PolarHBondContact O-N 2.9Å; Q514-Q517 PolarHBondContact O-N 3.34Å; Q514-Q517 VanDerWaalsContact O-N 3.08Å
515Q62.3Low63.4Low154 Ų154130.6 Ų130.672%0.7267%0.673SS**Hα-helixtrans-64.6-21.5174.8-81-173.5-13.400113.9Q511 Q513 Q517Q511-Q515 PolarHBondContact O-N 3.05Å; Q511-Q515 VanDerWaalsContact O-N 3.09Å; Q513-Q515 PolarHBondContact O-N 3.19Å; Q515-Q517 VanDerWaalsContact C-N 3.25Å; Q515-Q517 PolarHBondContact O-N 3.4Å
516Q60.6Low61.6Low165 Ų165133.8 Ų133.877%0.77169%0.692SS**THydrogen-bonded Turntrans-81.4-0.2174.3-66.2-179.45.800113.5Q513 Q514Q513-Q516 PolarHBondContact O-N 2.94Å; Q514-Q516 PolarHBondContact O-N 2.9Å
517Q59.2Low58.9Low156 Ų156131.6 Ų131.673%0.72970%0.701SS**THydrogen-bonded Turntrans-119.44.7-173.8-62.4-176.99.600114.5Q514 Q515Q514-Q517 PolarHBondContact O-N 3.34Å; Q514-Q517 VanDerWaalsContact O-N 3.08Å; Q515-Q517 VanDerWaalsContact C-N 3.25Å; Q515-Q517 PolarHBondContact O-N 3.4Å
518Q51Low56.5Low165 Ų165134.2 Ų134.277%0.77172%0.723SS**PPolyproline II helixtrans-96.1128.2-179.6-66.7-156.8-19.800113.5
519P55.1Low54.3Low110 Ų110135.5 Ų135.571%0.71474%0.737SS**PPolyproline II helixtrans-66.3160.1164.5-1832.2000112.1
520P45.9Very low52.8Low118 Ų118134.6 Ų134.677%0.76674%0.742SS**PPolyproline II helixtrans-67.2143.6-179.128-35000112.5
521P51.3Low50.7Low127 Ų127138.1 Ų138.183%0.82576%0.759SS**PPolyproline II helixtrans-78.4142.1-173.930.9-35.5000113.2
522H42.7Very low48.7Very low200 Ų200135.8 Ų135.893%0.92677%0.77SS**PPolyproline II helixtrans-82.8151.9168.3-95.6-98.9000112.3
523F38.8Very low46.8Very low188 Ų188133.8 Ų133.883%0.82578%0.784SS**PPolyproline II helixtrans-99.4130.5-170.6-156.8-84000111.5
524Q37.6Very low45Very low197 Ų197131.8 Ų131.892%0.92180%0.796SS**  trans-158.2166.7161.3-122.6165.364.600113.8
525S33Very low43.5Very low103 Ų103129.8 Ų129.872%0.7281%0.81SS**  trans-113.4167.7-156.6-103.10000114.3
526P50.7Low42.2Very low130 Ų130125.7 Ų125.784%0.84481%0.809SS**  trans-87.6162.7-163.235.2-37.9000115.2
527G31.7Very low40.9Very low73 Ų73125.3 Ų125.375%0.75381%0.812SS**  trans-162.6129.9171.300000115.5
528A32.2Very low40Very low109 Ų109123.2 Ų123.290%0.90182%0.815SS**  trans64.5140156.400000122.1
529A37.3Very low39.4Very low90 Ų90122.9 Ų122.974%0.74482%0.819SS**  trans-110.3-157.4161.300000107.3
530P50.8Low39.1Very low106 Ų106123 Ų12369%0.68882%0.819SS**  cis-145.3-165.14.444.4-23.2000116.7
531Q36.3Very low38.7Very low197 Ų197124.6 Ų124.692%0.92182%0.822SS**  trans73.1149.6156.8-69.6179.828.600120.8
532G34Very low38.8Very low81 Ų81123.3 Ų123.384%0.83581%0.813SS**  trans147.37516800000115.5
533G33.9Very low39.3Very low87 Ų87119.6 Ų119.690%0.89781%0.807SS**  trans-83.3-176.7-169.900000118.7
534G34.1Very low40.1Very low82 Ų82116.5 Ų116.585%0.84581%0.805SS**  trans121.297142.800000120.5
535G36Very low39.9Very low87 Ų87115.6 Ų115.690%0.89780%0.801SS**  75.8151.6129.400000122.8
536G35.1Very low39.9Very low68 Ų68116.6 Ų116.670%0.70181%0.807SS**  trans107.778.1141.700000120.3
537D32.4Very low39Very low157 Ų157115.8 Ų115.884%0.8480%0.804SS**  trans25.6154.2139.7-62.3-72.7000125.8
538S40.9Very low39.1Very low113 Ų113121.9 Ų121.979%0.7981%0.81SS**  trans81.983.8152-57.40000121.9
539N36.9Very low39.1Very low158 Ų158123.2 Ų123.285%0.84580%0.802SS**  20153.8115.1-141.824.3000120.6
540P50.5Low39.1Very low111 Ų111126.4 Ų126.472%0.72181%0.806SS**  -122.3165.5-71.938.3-24000113.2
541N37.5Very low38.6Very low153 Ų153126.4 Ų126.482%0.81880%0.804SS**  trans-113.8132.6-171.3-171.531.6000114.1
542P51.8Low39.1Very low99 Ų99123 Ų12364%0.64380%0.799SS**PPolyproline II helixtrans-86153.1167.934.5-34.4000113.1
543P54.6Low39Very low122 Ų122130.1 Ų130.179%0.79280%0.803SS**PPolyproline II helixtrans-80.2155.7179.632.6-35.3000113.7
544P55.7Low39.1Very low123 Ų123135.3 Ų135.380%0.79980%0.8SS**PPolyproline II helixtrans-90.8161.4-167.535.9-37.5000115.7
545Q31.7Very low39.1Very low178 Ų178137.8 Ų137.883%0.83280%0.799SS**PPolyproline II helixtrans-82.3146162-77.6-79.5-10.100110.9
546C33.3Very low39Very low124 Ų124137.7 Ų137.784%0.83879%0.79SS**  trans-143.4133161.5-93.30000110.1
547S33.3Very low39Very low113 Ų113142.5 Ų142.579%0.7979%0.794SS**  trans-91.9151.5-171.3-40.40000112.6
548F32.4Very low39.1Very low201 Ų201141.6 Ų141.688%0.88279%0.785SS**  trans-143.6137.7153.3-125.1-88.2000109.7
549D32.5Very low38.8Very low137 Ų137142.6 Ų142.673%0.73378%0.777SS**  trans-129.3141.6-175.2-170.1-5.2000108.8
550L38.3Very low38.9Very low157 Ų157144.3 Ų144.382%0.82278%0.777SS**  trans-158.4114.4179.7-107159.8000109.7
551T38.5Very low38.2Very low106 Ų106145.4 Ų145.465%0.6578%0.777SS**PPolyproline II helixtrans-82.9145.3-169.852.50000113.7
552P47.8Very low38.2Very low125 Ų125145.9 Ų145.981%0.81278%0.777SS**PPolyproline II helixtrans-88.1142.4169.133.9-32.5000112.3
553Y32.8Very low37.2Very low232 Ų232146.5 Ų146.591%0.9178%0.783SS**PPolyproline II helixtrans-101.7160.9173.2-111.8-97.7000112.6
554K35.6Very low36.3Very low195 Ų195148.6 Ų148.685%0.84879%0.786SS**PPolyproline II helixtrans-79.6141.3-171.7-73174.7171.31760115.3
555T33.3Very low35.4Very low135 Ų135148.7 Ų148.783%0.82879%0.785SS**  -160.9126.3124.334.10000106.4
556A33.9Very low35.5Very low85 Ų85146.5 Ų146.570%0.70278%0.783SS**  cis79.29942.200000114
557E36Very low35.5Very low169 Ų169146.3 Ų146.379%0.7978%0.779SS**  167.1141.9115.4-81.3-95.982.600114.2
558H34.2Very low35.7Very low137 Ų137147 Ų14763%0.63478%0.778SS**  trans62.2103.5148.1-90.5-112.9000125.9
559H35.2Very low35.8Very low135 Ų135142.5 Ų142.563%0.62577%0.772SS**  70.6106.1116.4-90.5-94.5000123.1
560K37Very low36Very low194 Ų194142 Ų14284%0.84377%0.774SS**  179.1147.791.7-100.9162.7-174.7174.10114.1
561D36.8Very low35.9Very low134 Ų134142 Ų14272%0.71777%0.773SS**  trans-83159.4-177.5-45.8-100000114.4
562I36.6Very low35.6Very low162 Ų162145.2 Ų145.283%0.83178%0.781SS**  -157.9119.9122.4-94148000107.3
563C32.7Very low35Very low112 Ų112145.7 Ų145.776%0.75778%0.781SS**  trans-108.3132.3174.9-720000110.1
564L35.2Very low35.4Very low166 Ų166142.9 Ų142.987%0.86978%0.776SS**  trans-110.4106.4168.8-86.8165.2000109.3
565T35.5Very low35.5Very low126 Ų126142.4 Ų142.477%0.77378%0.776SS**  trans-79123.3178.545.10000111.4
566V33.7Very low35.8Very low132 Ų132143.9 Ų143.980%0.878%0.778SS**  trans-98.5108.6169.5178.30000109T568V566-T568 PolarHBondContact O-N 3.47Å
567T34.6Very low36.4Very low120 Ų120143.4 Ų143.474%0.73678%0.775SS**  trans-79.4112.4176.949.60000111.1S569T567-S569 PolarHBondContact O-N 3.16Å
568T36.1Very low36.8Very low128 Ų128141.1 Ų141.179%0.78578%0.777SS**  trans-83.597.3174.151.10000111.3V566 T570V566-T568 PolarHBondContact O-N 3.47Å; T568-T570 PolarHBondContact O-N 3.43Å
569S35.9Very low37.3Very low106 Ų106143.9 Ų143.974%0.74181%0.812SS**  trans-74.5109.6176.3-58.60000111.8T567 I571T567-S569 PolarHBondContact O-N 3.16Å; S569-I571 PolarHBondContact O-N 2.78Å
570T36.8Very low37.5Very low127 Ų127144.3 Ų144.378%0.77982%0.821SS**  trans-75.1112.9171.250.60000110.8T568T568-T570 PolarHBondContact O-N 3.43Å
571I35.5Very low37.5Very low157 Ų157141.7 Ų141.781%0.80582%0.82SS**  trans-88.3117.6170.6-62.1178.3000108.5S569S569-I571 PolarHBondContact O-N 2.78Å
572Q33.1Very low37.5Very low173 Ų173142.1 Ų142.181%0.80883%0.826SS**  trans-75.7144.2173.3-68.5171.2-28.200110.2
573V34.7Very low37.6Very low135 Ų135140.9 Ų140.982%0.81883%0.825SS**  trans-99.8105.6172178.50000107.9
574E41.1Very low37.9Very low172 Ų172142.8 Ų142.880%0.80483%0.83SS**  trans-71136.5174.9-71.2-168116.300111.6
575H36.8Very low38.1Very low185 Ų185141.2 Ų141.286%0.85683%0.827SS**  trans-99.799.5-179.2-140.4-91.9000108.7
576L40.3Very low38.2Very low166 Ų166142.3 Ų142.387%0.86983%0.831SS**  trans-96.3124.7175.9-88.1165.4000111.3
577A45.6Very low38.6Very low76 Ų76143.1 Ų143.163%0.62883%0.833SS**  trans-145.7157.417700000110.1
578S46.2Very low38.9Very low120 Ų120145 Ų14584%0.83984%0.841SS**  trans73.3144.1-166.2-40.90000113.3
579S44.8Very low39.2Very low195 Ų195146.5 Ų146.5100%1.36485%0.847SS**  cis-126.604.9-62.30000112.3

Retrieved 579 of 579 residues in 74.9 ms (Link to these results)