A0A087X3J0_POEFO Loading...

Basic, immunoglobulin-like variable motif containing

AlphaFold DB , UniProt , Accession A0A087X3J0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 509 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M31.7Very low37Very low234 Ų234138.2 Ų138.2100%1.15383%0.832SS**  0151.10-71.2-17569.500108.8
2P58.7Low36.5Very low110 Ų110139.6 Ų139.671%0.71483%0.83SS**  cis-110.1-171.5-27.128.1-7.3000109.2
3N37.2Very low37Very low153 Ų153137.9 Ų137.982%0.81883%0.825SS**  cis-149.4166.611.6-133-2000111
4T41.6Very low36.5Very low128 Ų128144.9 Ų144.979%0.78583%0.83SS**  trans-115.2153.4-173.643.50000114.2
5S41.3Very low37.3Very low108 Ų108142.9 Ų142.976%0.75583%0.825SS**  trans-164.4103.6150.5550000107.3
6E37.2Very low36.9Very low194 Ų194138.8 Ų138.891%0.90781%0.812SS**  56.1125.185.2-64.6-160.5156.300114.1
7G33Very low36.6Very low67 Ų67140 Ų14069%0.69181%0.808SS**  cis173.5-173.9-5.200000114.9
8Q34.6Very low36.3Very low207 Ų207140.9 Ų140.997%0.96780%0.804SS**  trans66.7135.7163.6-54.8179.310.700117.9
9G29.2Very low36Very low80 Ų80139.3 Ų139.383%0.82580%0.802SS**  cis-165.1161.9-1.700000112.7
10A32.8Very low35.6Very low89 Ų89135.5 Ų135.574%0.73679%0.794SS**  trans-100.8156.717900000111.8
11N29.2Very low35.5Very low150 Ų150136.3 Ų136.380%0.80280%0.795SS**  trans179.1117.3134.1-89.9-35.8000113.1
12L31.2Very low35.4Very low155 Ų155133.7 Ų133.781%0.81278%0.78SS**  20.6164122-57.3173.2000120.8
13P43.5Very low34Very low118 Ų118139.5 Ų139.577%0.76679%0.788SS**  cis-140.6-166.1-37.740.2-20.7000114.8
14R29.5Very low34.4Very low236 Ų236137.3 Ų137.389%0.89178%0.782SS**  trans-41.8177167-111.1-172.6148.7163.5-6.3117
15P48.5Very low33.8Very low115 Ų115134.8 Ų134.875%0.74777%0.773SS**  cis-128.7-168.54.534.7-10.6000113.7
16A31.5Very low33.2Very low76 Ų76137.4 Ų137.463%0.62878%0.779SS**  cis-167.1139.540.300000109.5
17E31Very low32.7Very low160 Ų160131.2 Ų131.275%0.74877%0.768SS**  102126.495.9-87.5-159.5124.800116.5
18Q31.2Very low32.5Very low157 Ų157136.6 Ų136.673%0.73478%0.775SS**  trans71.7146.3142.2-64.9-17537.500119.7
19S31Very low32.3Very low109 Ų109134.7 Ų134.776%0.76277%0.766SS**  cis-168168.6-4.142.10000112.4
20G28.8Very low32.2Very low63 Ų63139 Ų13965%0.64977%0.765SS**  trans90.5115.3166.700000116
21L32.1Very low32.1Very low154 Ų154143.3 Ų143.381%0.80677%0.77SS**  61.7132.868.8-79.173.3000112.8
22Q29.8Very low32.1Very low178 Ų178141.9 Ų141.983%0.83276%0.762SS**  cis-159.5164.311.6-130.7160.1-5.600112
23R29.8Very low32.1Very low233 Ų233142.8 Ų142.888%0.87976%0.761SS**  trans-93.1-175.7166.8-129.9-168.2-90.4170.1-8.6108.6
24P45.6Very low31.3Very low107 Ų107140.5 Ų140.570%0.69576%0.76SS**  cis-143-160.8-1.838.8-15000115.8
25A29.1Very low31.5Very low74 Ų74137.7 Ų137.761%0.61276%0.762SS**  trans71.2152.8142.500000119.7
26D28.7Very low30.7Very low163 Ų163140.8 Ų140.887%0.87277%0.77SS**  cis-163.3173.3-9.8-92.8-23.5000108.8
27G27.2Very low30.6Very low65 Ų65142.2 Ų142.267%0.6778%0.775SS**  trans95.4112.1166.800000114.7
28E28.5Very low30.6Very low180 Ų180140.2 Ų140.284%0.84178%0.779SS**  9011457.6-74.9-177.6171.300114
29E29.2Very low30.6Very low166 Ų166140.5 Ų140.578%0.77678%0.784SS**  trans63.8133.9146.7-57.5-177.316800121.7
30E28.6Very low30.6Very low172 Ų172139.7 Ų139.780%0.80479%0.785SS**  trans35.9143.2136.9-53.9-170.4151.600119.9
31E30Very low30.7Very low179 Ų179147.6 Ų147.684%0.83680%0.795SS**  cis-164.2-179.938-148.5175.7-173.600112.2
32D29.7Very low30.5Very low120 Ų120148.6 Ų148.664%0.64280%0.801SS**  trans-41.5142.2176-167.71.8000118
33H30.3Very low30.5Very low173 Ų173144.9 Ų144.980%0.80180%0.8SS**  155123.5126.8-78.1-23.5000114.4
34G27.8Very low30.4Very low71 Ų71138 Ų13873%0.73279%0.794SS**  trans159.4101.4158.200000117.6
35L32.1Very low29.7Very low177 Ų177145.1 Ų145.193%0.92781%0.807SS**  trans119.469.8149.2-61.8174.8000117.5
36I32.5Very low29.8Very low179 Ų179149.2 Ų149.292%0.91882%0.818SS**  trans-88.3108148.8-62.8174.2000108.4
37S30.1Very low30Very low106 Ų106152.7 Ų152.774%0.74182%0.819SS**  trans-171.3102.2153.6-171.70000113.4
38S31.5Very low30.1Very low118 Ų118161.5 Ų161.583%0.82583%0.832SS**  trans-179.889.7131.634.90000111.2
39L30.3Very low30.3Very low163 Ų163157.5 Ų157.585%0.85383%0.829SS**  trans-56.9134.1168.5-70.8135.8000110.3
40A30.8Very low30.3Very low93 Ų93155.6 Ų155.677%0.76984%0.835SS**  4978.380.300000113.7
41R30.1Very low30.5Very low229 Ų229153 Ų15386%0.86484%0.836SS**  trans-144.9115.5157.4-73.7-170.3-179127.22.1109.8
42D29.1Very low30.5Very low175 Ų175149.4 Ų149.494%0.93684%0.836SS**  -175.283126.8-96.5-14.4000110.2
43A29.1Very low30.9Very low99 Ų99152.1 Ų152.182%0.81885%0.845SS**  trans-131.1141.6162.400000108.3
44A28.6Very low31Very low90 Ų90151 Ų15174%0.74484%0.844SS**  trans69.8103.9177.300000118.5
45R30.8Very low31.3Very low255 Ų255155.3 Ų155.396%0.96285%0.845SS**  trans-128.6138.9131.4-75.3-163.9179.1-158.80.2110.2
46L30.3Very low31.3Very low161 Ų161154.4 Ų154.484%0.84384%0.84SS**  trans-87.1161.3-170.6-98.588.3000114.5
47R34.3Very low31.1Very low236 Ų236154 Ų15489%0.89183%0.834SS**  trans-31.2149.6165.9-60.8177.7173.4-178.6-2.9116.5
48R29.5Very low30.9Very low249 Ų249160.3 Ų160.394%0.9484%0.842SS**  trans-139.1128.9133.6-163.2177.2-66.4140.2-2.3108.7
49A31.2Very low30.9Very low96 Ų96160.1 Ų160.179%0.79384%0.836SS**  trans-98.1153.2176.300000110.2
50S29.3Very low30.9Very low127 Ų127157 Ų15789%0.88883%0.827SS**  trans-134.1140.4161.1-169.80000108.1
51S32.6Very low31.1Very low118 Ų118158 Ų15883%0.82583%0.825SS**  trans-101.7127.3-173.4-165.60000110.5
52A29.9Very low31.3Very low102 Ų102153.5 Ų153.584%0.84382%0.823SS**  trans-158.4125.915700000108.7
53E38.9Very low31.6Very low178 Ų178150.7 Ų150.783%0.83281%0.812SS**  trans-91.9151.1-171.9-165.5167.2-149.700110.6
54L32.7Very low32.1Very low150 Ų150155.3 Ų155.379%0.78582%0.817SS**  trans139.2130.8143-72.9160.1000116
55H32.7Very low32.4Very low161 Ų161156.1 Ų156.175%0.74582%0.817SS**  trans53.9109.6153.7-84.982.1000121.7
56L33.5Very low32.5Very low157 Ų157155.4 Ų155.482%0.82281%0.814SS**  trans17.5122.2135.2-68.1161.9000118.9
57Q28Very low33.2Very low170 Ų170157.3 Ų157.379%0.79482%0.819SS**  -168.1123.8100.6-161.6165.612.600110.1T59Q57-T59 PolarHBondContact O-N 3.14Å
58W25.7Very low33.1Very low239 Ų239154.6 Ų154.691%0.90581%0.813SS**  trans-75.4112.1175.2-95.374.3000110.3
59T31.7Very low33.4Very low114 Ų114153.1 Ų153.170%0.69981%0.814SS**  trans-115.2113.1167.650.80000109.4Q57 P61Q57-T59 PolarHBondContact O-N 3.14Å; T59-P61 VanDerWaalsContact O-CD 3.31Å; T59-P61 WeakPolarHBondContact O-CD 3.35Å
60C29.4Very low33.7Very low99 Ų99158.9 Ų158.967%0.66982%0.817SS**  trans-90.2113.9171.3-89.30000110V62C60-V62 PolarHBondContact O-N 3.02Å
61P35.8Very low33.9Very low113 Ų113159 Ų15973%0.73481%0.812SS**  trans-74.311516729.8-31.4000109.2T59 T63T59-P61 VanDerWaalsContact O-CD 3.31Å; T59-P61 WeakPolarHBondContact O-CD 3.35Å; P61-T63 PolarHBondContact O-N 3.42Å; P61-T63 VanDerWaalsContact O-N 3.12Å
62V33.4Very low34.1Very low134 Ų134160.2 Ų160.281%0.81281%0.814SS**  trans-74101.8174.4179.50000109.2C60C60-V62 PolarHBondContact O-N 3.02Å
63T35.4Very low34.7Very low116 Ų116161.1 Ų161.171%0.71281%0.814SS**  trans-94.6124.816551.40000109.9P61 S65P61-T63 PolarHBondContact O-N 3.42Å; P61-T63 VanDerWaalsContact O-N 3.12Å; T63-S65 PolarHBondContact O-N 2.94Å
64H41Very low34.9Very low197 Ų197157.6 Ų157.691%0.91281%0.808SS**  trans-58.4109.7176.5-97.7-100.3000110.9
65S33.4Very low35.3Very low107 Ų107156 Ų15675%0.74880%0.801SS**  trans-150130.4160.762.50000112.8T63T63-S65 PolarHBondContact O-N 2.94Å
66R34.5Very low35.7Very low240 Ų240159 Ų15991%0.90681%0.807SS**  trans4.6119.4167.3-75.3171.3148.7173.6-8.9118.3K68R66-K68 PolarHBondContact O-N 3.46Å
67E44.2Very low36.1Very low200 Ų200155.5 Ų155.594%0.93580%0.801SS**  trans-42.1123.9171.1-61.5170.2155.900113.6
68K33Very low36.8Very low179 Ų179153.1 Ų153.178%0.77879%0.793SS**  trans-126.5133.3159.1-73.2-174.5178.1179.30108.1R66 Y70R66-K68 PolarHBondContact O-N 3.46Å; K68-Y70 PolarHBondContact O-N 3.49Å
69F35.6Very low37.6Very low218 Ų218148 Ų14896%0.95678%0.783SS**PPolyproline II helixtrans-59.2130.4178.5-65.3-95.1000110.9
70Y35.9Very low38.1Very low217 Ų217149.4 Ų149.485%0.85179%0.786SS**PPolyproline II helixtrans-102.9132165.7-83.3-85.2000110.8K68K68-Y70 PolarHBondContact O-N 3.49Å
71T35.6Very low38.8Very low129 Ų129152.5 Ų152.579%0.79179%0.791SS**PPolyproline II helixtrans-71.8128.6179.945.20000111.7C73T71-C73 PolarHBondContact O-N 3.47Å
72V35.8Very low38.9Very low144 Ų144151 Ų15187%0.87379%0.787SS**  trans-77.1100.2168.8-179.70000109.2
73C41.8Very low39.2Very low122 Ų122149 Ų14982%0.82479%0.785SS**  trans-153.265.8173.6-99.50000112T71T71-C73 PolarHBondContact O-N 3.47Å
74S43.2Very low39.5Very low103 Ų103148.6 Ų148.672%0.7279%0.787SS**  trans-164107.4164.652.50000109.4
75D41.5Very low39.6Very low118 Ų118145 Ų14563%0.63178%0.779SS**  trans179.912.2155.7-94.2-14.9000114.8A77D75-A77 PolarHBondContact O-N 3.33Å; D75-A77 VanDerWaalsContact O-N 3.13Å
76Y42Very low39.6Very low223 Ų223150.4 Ų150.488%0.87578%0.784SS**THydrogen-bonded Turntrans-68.9-5.8174.3-107-84.6000114.9
77A42.2Very low39.3Very low84 Ų84145.3 Ų145.369%0.69478%0.784SS**THydrogen-bonded Turntrans-92.6-24.4-17800000114.2D75D75-A77 PolarHBondContact O-N 3.33Å; D75-A77 VanDerWaalsContact O-N 3.13Å
78L41.6Very low38.6Very low119 Ų119141 Ų14162%0.62378%0.775SS**THydrogen-bonded Turntrans-87.1-24.5-172.8-76.7167000114N80 Q81L78-N80 VanDerWaalsContact C-N 3.31Å; L78-N80 PolarHBondContact O-N 2.72Å; L78-Q81 PolarHBondContact O-N 3Å
79L41.9Very low38.6Very low132 Ų132138 Ų13869%0.69177%0.774SS**THydrogen-bonded Turntrans-68.8-23.9-176.5-78.3165.6000114.3Q81L79-Q81 PolarHBondContact O-N 3.04Å
80N43.2Very low38.6Very low144 Ų144133 Ų13377%0.7776%0.763SS**THydrogen-bonded Turntrans-81.5-7.6-177.5-79.6-14.8000114.7L78L78-N80 VanDerWaalsContact C-N 3.31Å; L78-N80 PolarHBondContact O-N 2.72Å
81Q42.9Very low38.4Very low164 Ų164132.7 Ų132.777%0.76677%0.766SS**THydrogen-bonded Turntrans-100-15.1176.7-68.7-173.4-5.800113.7L78 L79L78-Q81 PolarHBondContact O-N 3Å; L79-Q81 PolarHBondContact O-N 3.04Å
82A38.9Very low38.2Very low80 Ų80132.9 Ų132.966%0.66177%0.766SS**G310 helixtrans-82.5-12.8178.600000114.3S84A82-S84 VanDerWaalsContact C-N 3.34Å; A82-S84 PolarHBondContact O-N 3.22Å
83A40.5Very low38Very low94 Ų94130.5 Ų130.578%0.77776%0.762SS**G310 helixtrans-83-0.6-173.900000115.3
84S40.8Very low37.3Very low107 Ų107136.3 Ų136.375%0.74877%0.767SS**G310 helixtrans-96.1-5.7-171.9-159.10000115A82A82-S84 VanDerWaalsContact C-N 3.34Å; A82-S84 PolarHBondContact O-N 3.22Å
85V42.7Very low36.6Very low121 Ų121139.1 Ų139.173%0.73377%0.774SS**SBendtrans-13053.1-170.3-161.90000112.4
86Y33.2Very low36.1Very low220 Ų220143 Ų14386%0.86379%0.785SS**  trans-158.769.4160.2-116.3-73.2000113.1
87C29.7Very low35.4Very low133 Ų133141.4 Ų141.490%0.89979%0.785SS**  trans-111.595.2168-75.60000110.4
88C28Very low34.7Very low110 Ų110145.7 Ų145.774%0.74379%0.791SS**PPolyproline II helixtrans-89.9134.5162.6-800000109.6
89P34.1Very low34.1Very low116 Ų116148 Ų14875%0.75380%0.804SS**PPolyproline II helixtrans-77.4152.2-173.831.1-35.6000112.9
90P35.2Very low33.4Very low113 Ų113145.2 Ų145.273%0.73481%0.807SS**PPolyproline II helixtrans-73.1141.9176.130.7-34.4000111.7V92P90-V92 PolarHBondContact O-N 3.33Å; P90-V92 VanDerWaalsContact O-N 3.14Å
91K30.8Very low32.6Very low211 Ų211143 Ų14392%0.91781%0.809SS**  trans-70.2105.3170.6-70.3-178.6178.11780109.8
92V32.6Very low32.9Very low132 Ų132140.7 Ų140.780%0.881%0.808SS**PPolyproline II helixtrans-77.8123.4173.6179.90000109.7P90P90-V92 PolarHBondContact O-N 3.33Å; P90-V92 VanDerWaalsContact O-N 3.14Å
93A30.7Very low32.4Very low94 Ų94145 Ų14578%0.77782%0.819SS**PPolyproline II helixtrans-69.7131.5173.300000110.5
94R28.5Very low31.8Very low245 Ų245144.1 Ų144.193%0.92582%0.819SS**PPolyproline II helixtrans-83.6117.9-177.7-172.8-177.6-172.2-176.33.3109.9
95N28.5Very low31Very low162 Ų162148.8 Ų148.887%0.86683%0.826SS**  trans-141.2148.7159.5-116.8-19.9000111.6
96K29.5Very low30.7Very low200 Ų200148.5 Ų148.587%0.8783%0.826SS**  trans-73.1149-168.3-63.5170.5170.5-178.30112.4
97Q27.3Very low30.5Very low188 Ų188147.7 Ų147.788%0.87983%0.827SS**  -172.4145.798.5-170.7155.9-21.700111
98E28.3Very low30.5Very low174 Ų174145.4 Ų145.481%0.81382%0.818SS**  trans-84.5149.3175.3-64.9163116.500110.8
99D29Very low30.5Very low168 Ų168145 Ų14590%0.89882%0.817SS**  -175.3154.5114.8-112.1-36.8000113.5
100G26.6Very low30.3Very low74 Ų74144.2 Ų144.276%0.76381%0.813SS**  trans9286154.500000119.7
101A26.8Very low29.8Very low97 Ų97145.6 Ų145.680%0.80282%0.815SS**  trans-98.8-173.415100000109.1
102P49.5Very low29.7Very low115 Ų115144.6 Ų144.675%0.74781%0.811SS**  cis-141.9-148.5-0.440.9-18000113.8
103L28.3Very low29.5Very low172 Ų172143.8 Ų143.890%0.90181%0.811SS**  trans84.6132.7167.5-108.469.1000117.6
104G27.4Very low29.3Very low74 Ų74143.4 Ų143.476%0.76382%0.816SS**  cis-155.6160.54.300000115.7
105K25.3Very low29.2Very low206 Ų206134.7 Ų134.790%0.89680%0.802SS**  trans-74.1166.2172-90.2177.5-176.7176.10110.5
106P36.5Very low29.2Very low115 Ų115135.6 Ų135.675%0.74780%0.801SS**  cis-152.216745.642.2-20.6000120.8
107K28.6Very low29.2Very low203 Ų203132 Ų13288%0.88380%0.796SS**  trans27148.6139.1-72.7-174.7167.2-176.90120.6
108A28.9Very low29.1Very low85 Ų85127 Ų12770%0.70280%0.795SS**  cis-167.2-156.5-1200000106.7
109S27.7Very low29Very low102 Ų102122.7 Ų122.771%0.71380%0.797SS**  cis-165.2-178.76.217.20000109.4
110S30.3Very low29Very low98 Ų98118.4 Ų118.469%0.68579%0.793SS**  trans68.1139.6160.348.80000119.2
111D25.8Very low30.1Very low143 Ų143121 Ų12177%0.76580%0.796SS**  cis-159.2179.2-13.3-112.1-19.8000115.7
112F28.8Very low30.5Very low190 Ų190123.4 Ų123.483%0.83380%0.801SS**  trans-39.4158.5163.3-72.9-98000116.3
113S27.9Very low29.6Very low115 Ų115121.4 Ų121.480%0.80480%0.801SS**  cis-164.5151.141.847.20000115.4
114G26.9Very low29.7Very low86 Ų86119.1 Ų119.189%0.88780%0.799SS**  trans78.3138.3137.500000120.6
115G26.3Very low29.9Very low61 Ų61123.1 Ų123.163%0.62980%0.803SS**  cis159131.8-11.300000113.8
116H28.7Very low30.2Very low182 Ų182116.3 Ų116.384%0.84379%0.792SS**  trans68.8149.3157.3-58.1-84.6000119
117T27.8Very low30.2Very low124 Ų124118.2 Ų118.276%0.76180%0.796SS**  cis-168.2145.8-8.118.10000112.5
118G26.6Very low30.3Very low84 Ų84114.1 Ų114.187%0.86679%0.791SS**  trans66.6154.2143.900000120.1
119G25.6Very low30.4Very low82 Ų82117 Ų11785%0.84580%0.795SS**  cis159.8153.2-8.600000112.5
120G29.3Very low31.1Very low79 Ų79118.3 Ų118.381%0.81480%0.798SS**  trans106.7135.5162.800000117.4
121P50.3Low31.2Very low127 Ų127121.2 Ų121.283%0.82581%0.806SS**  trans-111.2155.7-178.440-31.3000114.2
122V33.8Very low32.2Very low149 Ų149123.2 Ų123.290%0.90381%0.81SS**  trans-142.7132.3163.5177.30000108.8
123G31.5Very low32.5Very low73 Ų73120.6 Ų120.675%0.75381%0.81SS**  trans-102.2158.1166.600000111
124S29.7Very low32.6Very low124 Ų124119.6 Ų119.687%0.86780%0.803SS**  trans-136.8132.6158.5-172.70000108.7
125D32.5Very low33.1Very low157 Ų157120.5 Ų120.584%0.8480%0.795SS**  trans-70.4158.9171.2-146.7-18.2000110.3
126G31.9Very low33.6Very low64 Ų64120.4 Ų120.466%0.6679%0.794SS**  trans-179.964.5-17000000113
127D34.6Very low34.6Very low155 Ų155120.4 Ų120.483%0.82979%0.794SS**  trans-68.4125.4174.1-174.117.1000111.3
128C31.8Very low35.9Very low117 Ų117119 Ų11979%0.79180%0.796SS**  trans-152.777.9169.150.10000112.3
129D29.8Very low37.6Very low146 Ų146123.2 Ų123.278%0.78179%0.79SS**  trans58.4143.7139.3-143.5-2.7000120.2
130V44.1Very low39.2Very low128 Ų128124.4 Ų124.478%0.77678%0.783SS**  trans-97.7104.7-167.1-79.40000112.5E132V130-E132 PolarHBondContact O-N 2.93Å
131D32.7Very low40.8Very low160 Ų160128.1 Ų128.186%0.85678%0.783SS**  trans-91.895.7160.7-107.2-41.1000110.5V133D131-V133 VanDerWaalsContact C-N 3.28Å; D131-V133 PolarHBondContact O-N 3.38Å
132E45.4Very low41.9Very low184 Ų184125.6 Ų125.686%0.8676%0.763SS**  trans-69.977.4176.8-169.5-173.8145.300111.1V130 S134V130-E132 PolarHBondContact O-N 2.93Å; E132-S134 PolarHBondContact O-N 3.33Å
133V34.5Very low43.8Very low136 Ų136123.9 Ų123.982%0.82476%0.764SS**  trans-73.785.4169.6178.80000109.6D131 S135D131-V133 VanDerWaalsContact C-N 3.28Å; D131-V133 PolarHBondContact O-N 3.38Å; V133-S135 PolarHBondContact O-N 2.76Å
134S31.9Very low45.4Very low94 Ų94129.4 Ų129.466%0.65776%0.762SS**  trans-0.7115.3157.4-174.50000115.3E132 G136E132-S134 PolarHBondContact O-N 3.33Å; S134-G136 PolarHBondContact O-N 2.66Å
135S36.7Very low47.5Very low104 Ų104128.3 Ų128.373%0.72774%0.743SS**  trans-6780169630000110.6V133 H137V133-S135 PolarHBondContact O-N 2.76Å; S135-H137 PolarHBondContact O-N 2.72Å; S135-H137 PolarHBondContact O-ND1 3.16Å
136G37.4Very low49.3Very low59 Ų59127 Ų12761%0.60874%0.735SS**  trans-52.7125.6169.600000108.9S134 A138S134-G136 PolarHBondContact O-N 2.66Å; G136-A138 VanDerWaalsContact C-N 3.27Å; G136-A138 PolarHBondContact O-N 2.92Å
137H47.9Very low51Low182 Ų182129.5 Ų129.584%0.84373%0.733SS**  trans-66.287.7-178.4-74.740.8000110S135 K139S135-H137 PolarHBondContact O-N 2.72Å; S135-H137 PolarHBondContact O-ND1 3.16Å; H137-K139 VanDerWaalsContact C-N 3.32Å; H137-K139 PolarHBondContact O-N 2.72Å
138A55.3Low52.5Low95 Ų95125.9 Ų125.979%0.78572%0.717SS**  trans-63.196.7166.800000107.4G136G136-A138 VanDerWaalsContact C-N 3.27Å; G136-A138 PolarHBondContact O-N 2.92Å
139K62.4Low54.2Low173 Ų173122.7 Ų122.775%0.75270%0.699SS**PPolyproline II helixtrans-54.2135.3166.2-67.2175.9-177.1171.30106.8H137 L141H137-K139 VanDerWaalsContact C-N 3.32Å; H137-K139 PolarHBondContact O-N 2.72Å; K139-L141 PolarHBondContact O-N 3.46Å
140P59.2Low55.5Low107 Ų107121.6 Ų121.670%0.69569%0.693SS**PPolyproline II helixtrans-58.2120.5176.924.3-32.8000108L142P140-L142 PolarHBondContact O-N 3.18Å
141L62.4Low56.3Low157 Ų157122.3 Ų122.382%0.82269%0.686SS**PPolyproline II helixtrans-53.3116.7178.4-78.2164.6000108.4K139 E145K139-L141 PolarHBondContact O-N 3.46Å; L141-E145 WeakPolarHBondContact CA-OE2 3.33Å
142L74.8Confident57.4Low74 Ų74119.3 Ų119.339%0.38767%0.67SS.*PPolyproline II helixtrans-79.5142-175.5-65.8163.1000108.3P140 W144 E145P140-L142 PolarHBondContact O-N 3.18Å; L142-W144 HydrophobicContact CB-CD2 4.15Å; L142-W144 HydrophobicContact CB-CG 4.38Å; L142-W144 HydrophobicContact CB-CZ2 4.04Å; L142-W144 HydrophobicContact CD1-CZ2 3.78Å; L142-W144 HydrophobicContact CD2-CH2 4.35Å; L142-W144 HydrophobicContact CD2-CZ2 3.96Å; L142-W144 HydrophobicContact CG-CZ2 4.14Å; L142-W144 PolarHBondContact O-N 2.92Å; L142-E145 HydrophobicContact CB-CG 4.15Å; L142-E145 PolarHBondContact N-OE2 2.76Å; L142-E145 WeakPolarHBondContact O-CB 3.22Å; L142-E145 PolarHBondContact O-N 2.89Å
143A72.2Confident57.9Low112 Ų112115.2 Ų115.293%0.92666%0.658SS**THydrogen-bonded Turntrans-62.9-1.7-17500000115.3
144W66.2Low58.6Low190 Ų190114.1 Ų114.172%0.7265%0.651SS**THydrogen-bonded Turntrans-1122.4174.155.466.4000113.6L142 I146L142-W144 HydrophobicContact CB-CD2 4.15Å; L142-W144 HydrophobicContact CB-CG 4.38Å; L142-W144 HydrophobicContact CB-CZ2 4.04Å; L142-W144 HydrophobicContact CD1-CZ2 3.78Å; L142-W144 HydrophobicContact CD2-CH2 4.35Å; L142-W144 HydrophobicContact CD2-CZ2 3.96Å; L142-W144 HydrophobicContact CG-CZ2 4.14Å; L142-W144 PolarHBondContact O-N 2.92Å; W144-I146 PolarHBondContact O-N 3.2Å
145E73.5Confident59.2Low101 Ų101118 Ų11847%0.47266%0.656SS.*  trans-75.870.2167.8-71.6174154.600108.4L141 L142 D147L141-E145 WeakPolarHBondContact CA-OE2 3.33Å; L142-E145 HydrophobicContact CB-CG 4.15Å; L142-E145 PolarHBondContact N-OE2 2.76Å; L142-E145 WeakPolarHBondContact O-CB 3.22Å; L142-E145 PolarHBondContact O-N 2.89Å; E145-D147 PolarHBondContact O-N 3.36Å
146I71.6Confident59.5Low129 Ų129118.7 Ų118.766%0.66266%0.656SS**  trans-60.2124.4167.1-59.6173.5000106.5W144 T148W144-I146 PolarHBondContact O-N 3.2Å; I146-T148 PolarHBondContact O-N 3.27Å; I146-T148 VanDerWaalsContact O-N 3.08Å
147D67.4Low59.7Low117 Ų117127 Ų12763%0.62667%0.669SS**  trans-62.2116.3173.4-168.7-6000109E145 A149E145-D147 PolarHBondContact O-N 3.36Å; D147-A149 WeakPolarHBondContact OD1-CB 3.35Å; D147-A149 PolarHBondContact OD1-N 2.98Å
148T65.8Low59.2Low79 Ų79128.1 Ų128.149%0.48567%0.672SS.*  trans-97.92.9179.748.70000112.3I146 D150 F151 N152I146-T148 PolarHBondContact O-N 3.27Å; I146-T148 VanDerWaalsContact O-N 3.08Å; T148-D150 VanDerWaalsContact C-N 3.28Å; T148-D150 PolarHBondContact O-N 2.81Å; T148-F151 PolarHBondContact O-N 3.03Å; T148-F151 VanDerWaalsContact O-N 3.15Å; T148-N152 PolarHBondContact O-N 2.84Å; T148-N152 VanDerWaalsContact O-N 3.17Å; T148-N152 PolarHBondContact O-ND2 3.38Å
149A67.6Low58.2Low50 Ų50131.2 Ų131.241%0.41367%0.673SS.*Hα-helixtrans-53.3-45177.600000111.9D147 F151 N152 T153D147-A149 WeakPolarHBondContact OD1-CB 3.35Å; D147-A149 PolarHBondContact OD1-N 2.98Å; A149-F151 VanDerWaalsContact C-N 3.34Å; A149-F151 PolarHBondContact O-N 2.97Å; A149-N152 PolarHBondContact O-N 3.07Å; A149-N152 VanDerWaalsContact O-N 3.11Å; A149-T153 PolarHBondContact O-N 3.03Å
150D57Low56.8Low123 Ų123134.3 Ų134.366%0.65868%0.68SS**Hα-helixtrans-59.7-41.4179.1-72.4-17.6000112.6T148 N152 T153T148-D150 VanDerWaalsContact C-N 3.28Å; T148-D150 PolarHBondContact O-N 2.81Å; D150-N152 VanDerWaalsContact C-N 3.32Å; D150-N152 PolarHBondContact O-N 2.78Å; D150-T153 PolarHBondContact O-N 2.97Å; D150-T153 PolarHBondContact O-OG1 3.26Å
151F60.6Low55.5Low142 Ų142135.9 Ų135.962%0.62369%0.688SS**Hα-helixtrans-69.9-27.8178-65.3-82.1000113.1T148 A149 T153T148-F151 PolarHBondContact O-N 3.03Å; T148-F151 VanDerWaalsContact O-N 3.15Å; A149-F151 VanDerWaalsContact C-N 3.34Å; A149-F151 PolarHBondContact O-N 2.97Å; F151-T153 VanDerWaalsContact C-N 3.32Å; F151-T153 PolarHBondContact O-N 2.93Å
152N55.7Low53.9Low97 Ų97133.8 Ų133.852%0.51969%0.687SS.*Hα-helixtrans-73.1-22.8179.3-73.6-56.6000113.1T148 A149 D150 V154 F155T148-N152 PolarHBondContact O-N 2.84Å; T148-N152 VanDerWaalsContact O-N 3.17Å; T148-N152 PolarHBondContact O-ND2 3.38Å; A149-N152 PolarHBondContact O-N 3.07Å; A149-N152 VanDerWaalsContact O-N 3.11Å; D150-N152 VanDerWaalsContact C-N 3.32Å; D150-N152 PolarHBondContact O-N 2.78Å; N152-V154 PolarHBondContact O-N 2.84Å; N152-F155 PolarHBondContact O-N 2.73Å
153T55.9Low51.8Low99 Ų99138.4 Ų138.461%0.60771%0.712SS**THydrogen-bonded Turntrans-64.2-25.6176.867.50000113.4A149 D150 F151 T156A149-T153 PolarHBondContact O-N 3.03Å; D150-T153 PolarHBondContact O-N 2.97Å; D150-T153 PolarHBondContact O-OG1 3.26Å; F151-T153 VanDerWaalsContact C-N 3.32Å; F151-T153 PolarHBondContact O-N 2.93Å; T153-T156 PolarHBondContact O-OG1 3.02Å
154V50.1Low49.9Very low113 Ų113136.8 Ų136.869%0.68571%0.706SS**THydrogen-bonded Turntrans-83.6-23.7-175.6-174.10000112.4N152N152-V154 PolarHBondContact O-N 2.84Å
155F43.9Very low48.3Very low176 Ų176137.8 Ų137.877%0.77272%0.715SS**  trans-95.31.6-174.7-81.7-78.4000115.3N152 R157N152-F155 PolarHBondContact O-N 2.73Å; F155-R157 PolarHBondContact O-N 2.67Å
156T43.5Very low46.6Very low118 Ų118143.1 Ų143.172%0.72474%0.737SS**  trans-7848.417858.10000114.2T153T153-T156 PolarHBondContact O-OG1 3.02Å
157R41.3Very low44.6Very low232 Ų232143.1 Ų143.188%0.87575%0.747SS**SBendtrans-105.595161.6-159.4177.5-69.8-1700.4108.7F155F155-R157 PolarHBondContact O-N 2.67Å
158K35.9Very low42.8Very low207 Ų207142.7 Ų142.790%0.975%0.753SS**  trans-52.7131.6-167.8-64.1176.6179.2174.60113.7
159I34.9Very low41.1Very low159 Ų159144.6 Ų144.682%0.81577%0.769SS**  trans-120.1125.4151.5-62.5179.6000107.5
160R33.7Very low39.6Very low239 Ų239151.9 Ų151.990%0.90279%0.792SS**  trans-79.5130.6173.1-85.1173.5160.7164-7.1109.4
161T31.3Very low38.5Very low140 Ų140155.5 Ų155.586%0.85980%0.802SS**  trans-156.1153.6145.914.80000112.6
162S29.9Very low37.1Very low113 Ų113157.1 Ų157.179%0.7981%0.813SS**  trans-74.3156.5-162.147.40000118.5
163N29.9Very low35.9Very low171 Ų171164.2 Ų164.291%0.91483%0.833SS**  trans-24.4140.2161-75.8-25.8000118.3
164G31.9Very low34.7Very low78 Ų78164.5 Ų164.580%0.80485%0.845SS**  trans-155.283.217000000114.7
165K33.3Very low33.9Very low211 Ų211163 Ų16392%0.91785%0.845SS**  trans24.1125.3159.5-67.2176.6177.9175.60121.2
166K36.9Very low33.6Very low212 Ų212162.1 Ų162.192%0.92285%0.848SS**  trans-55.9146.1160.1-65.5171.5175.5174.50112.2
167C30.5Very low33.2Very low130 Ų130167.9 Ų167.988%0.87886%0.856SS**  trans-136146.4152.6-165.30000110.1
168S30.1Very low33Very low108 Ų108162.7 Ų162.776%0.75585%0.853SS**  trans-91.3152.9-160.650.40000115.1
169S30.1Very low33Very low118 Ų118158.5 Ų158.583%0.82585%0.85SS**  trans-63.1145.9170.545.60000113.4
170K34.5Very low33.3Very low203 Ų203162.3 Ų162.388%0.88385%0.854SS**  trans-130.3101160.6-158.7169.1-173.1175.80110.3
171K34.5Very low33.6Very low200 Ų200158.5 Ų158.587%0.8785%0.851SS**  trans-77.4114.7179.1-176.7179.4-175.9177.10109.2
172M31.8Very low34.4Very low175 Ų175159.6 Ų159.686%0.86285%0.851SS**PPolyproline II helixtrans-88.9132168.4-70.5-170.576.400110
173R29.6Very low35Very low247 Ų247162.4 Ų162.493%0.93285%0.852SS**PPolyproline II helixtrans-72.5136.3172.5-81.7-176.1167.3-1373.1109.5
174A31.6Very low36Very low105 Ų105161.8 Ų161.887%0.86885%0.848SS**PPolyproline II helixtrans-84.4138.515500000108.6
175A33.5Very low37.1Very low81 Ų81162.9 Ų162.967%0.66984%0.839SS**  trans-139139.4172.900000109.9
176D36Very low38.3Very low157 Ų157156.4 Ų156.484%0.8482%0.819SS**  trans55.794.1153.5-49.7-30.9000119.3
177R35.2Very low39.8Very low239 Ų239151.3 Ų151.390%0.90281%0.805SS**  trans-129.2143.2140.7-82-169.5172.6179.3-2.1109.8
178P38.4Very low42.1Very low123 Ų123151.6 Ų151.680%0.79979%0.794SS**  trans-72.3141.7-163.428.2-35.6000112.8R180P178-R180 PolarHBondContact O-N 2.76Å
179S36.3Very low44.6Very low120 Ų120147.4 Ų147.484%0.83977%0.765SS**  trans-6497.1175.140.70000111.7
180R40.7Very low47.3Very low238 Ų238144.5 Ų144.590%0.89875%0.745SS**  trans-67.9129154.6-94.5-176.5167.1-178.9-4.5108.2P178 L182P178-R180 PolarHBondContact O-N 2.76Å; R180-L182 PolarHBondContact O-N 3.34Å
181N40.3Very low49.9Very low159 Ų159140.4 Ų140.485%0.8573%0.732SS**  trans-38.4106.5178.9-75.2-64.9000112.5Q183N181-Q183 PolarHBondContact O-N 3.12Å
182L46.7Very low52.4Low163 Ų163135.7 Ų135.785%0.85371%0.713SS**  trans-72.799.7157.7-77.8165.4000105.9R180 D184R180-L182 PolarHBondContact O-N 3.34Å; L182-D184 PolarHBondContact O-N 3.16Å
183Q43.6Very low55Low172 Ų172129.9 Ų129.980%0.80468%0.684SS**  trans-60.6126.8156.4-72179.4-17.700106.7N181 V185N181-Q183 PolarHBondContact O-N 3.12Å; Q183-V185 VanDerWaalsContact C-N 3.34Å; Q183-V185 PolarHBondContact O-N 3.24Å
184D49.7Very low57.8Low158 Ų158120 Ų12085%0.84565%0.649SS**  trans-63.891.7-178.1-81-52.7000110.7L182 P186L182-D184 PolarHBondContact O-N 3.16Å; D184-P186 WeakPolarHBondContact O-CD 3.46Å
185V56.4Low60.6Low101 Ų101119.7 Ų119.761%0.61263%0.628SS**  trans-63.7124.8164.6179.20000106.8Q183 V187Q183-V185 VanDerWaalsContact C-N 3.34Å; Q183-V185 PolarHBondContact O-N 3.24Å; V185-V187 PolarHBondContact O-N 3.27Å; V185-V187 VanDerWaalsContact O-N 3.1Å
186P58.1Low63.2Low76 Ų76120.7 Ų120.749%0.49462%0.619SS.*  trans-50121.2-179.5-30.236000111.8D184 H188D184-P186 WeakPolarHBondContact O-CD 3.46Å; P186-H188 WeakPolarHBondContact CB-O 3.31Å; P186-H188 PolarHBondContact O-N 3.42Å; P186-H188 VanDerWaalsContact O-N 3.14Å
187V68.4Low65.9Low104 Ų104114.4 Ų114.463%0.6358%0.584SS**SBendtrans-58.1-30.2-179.2-179.20000110.8V185V185-V187 PolarHBondContact O-N 3.27Å; V185-V187 VanDerWaalsContact O-N 3.1Å
188H78Confident68.7Low137 Ų137108.2 Ų108.263%0.63456%0.563SS**SBendtrans-119.2136.1176.5-60.9-67.5000111.4P186 Y347P186-H188 WeakPolarHBondContact CB-O 3.31Å; P186-H188 PolarHBondContact O-N 3.42Å; P186-H188 VanDerWaalsContact O-N 3.14Å; H188-Y347 CarbonylContact C-O 3.6Å; H188-Y347 VanDerWaalsContact CA-O 3.26Å; H188-Y347 WeakPolarHBondContact CA-O 3.16Å
189A82.8Confident71.5Confident20 Ų20103.3 Ų103.317%0.16553%0.531CS..  trans-68.7142.2168.500000111.1E193 I194 Y347 R348A189-E193 WeakPolarHBondContact CA-OE2 3.39Å; A189-E193 HydrophobicContact CB-CB 4.01Å; A189-I194 HydrophobicContact CB-CD1 3.65Å; A189-I194 HydrophobicContact CB-CG1 4.32Å; A189-Y347 PolarHBondContact N-O 2.94Å; A189-R348 WeakPolarHBondContact CB-O 3.14Å
190S86.8Confident74.3Confident57 Ų57101 Ų10140%0.39951%0.509SS..  trans-64.5158.3162.565.40000111.7E192 E193 I194S190-E192 PolarHBondContact O-N 3.19Å; S190-E193 WeakPolarHBondContact CB-OE2 3.37Å; S190-E193 PolarHBondContact N-OE2 3.44Å; S190-E193 PolarHBondContact O-N 2.84Å; S190-E193 VanDerWaalsContact O-N 3.12Å; S190-E193 VanDerWaalsContact OG-CD 3.3Å; S190-E193 VanDerWaalsContact OG-CG 3.32Å; S190-E193 WeakPolarHBondContact OG-CG 3.47Å; S190-E193 PolarHBondContact OG-N 2.83Å; S190-E193 PolarHBondContact OG-OE2 3.04Å; S190-I194 PolarHBondContact O-N 3.4Å; S190-I194 VanDerWaalsContact O-N 3.16Å
191L88.6Confident76.8Confident117 Ų11791 Ų9161%0.61347%0.473SS*.Hα-helixtrans-55.8-37.4175.7177.561.5000112.3I194 K195L191-I194 PolarHBondContact O-N 3.44Å; L191-K195 HydrophobicContact CG-CD 4.35Å; L191-K195 WeakPolarHBondContact O-CG 3.45Å; L191-K195 PolarHBondContact O-N 3.19Å
192E88Confident79.4Confident100 Ų10086.9 Ų86.947%0.46745%0.451SS..Hα-helixtrans-66.4-39.3178.5-59.4-47.3126.600111.8S190 I194 K195 Q196S190-E192 PolarHBondContact O-N 3.19Å; E192-I194 VanDerWaalsContact C-N 3.31Å; E192-I194 PolarHBondContact O-N 2.82Å; E192-K195 WeakPolarHBondContact O-CB 3.47Å; E192-K195 PolarHBondContact O-N 3.39Å; E192-K195 IonicContact OE1-NZ 2.62Å; E192-K195 PolarHBondContact OE1-NZ 3.08Å; E192-K195 VanDerWaalsContact OE2-CD 3.22Å; E192-K195 WeakPolarHBondContact OE2-CD 3.39Å; E192-K195 IonicContact OE2-NZ 2.64Å; E192-K195 PolarHBondContact OE2-NZ 3.03Å; E192-Q196 VanDerWaalsContact O-CG 3.32Å; E192-Q196 WeakPolarHBondContact O-CG 3.41Å; E192-Q196 PolarHBondContact O-N 3.3Å
193E86.8Confident81.8Confident54 Ų5482.6 Ų82.625%0.25242%0.423SS..Hα-helixtrans-66.2-31.7174.1-69.5162.7125.900112.8A189 S190 R197 P350A189-E193 WeakPolarHBondContact CA-OE2 3.39Å; A189-E193 HydrophobicContact CB-CB 4.01Å; S190-E193 WeakPolarHBondContact CB-OE2 3.37Å; S190-E193 PolarHBondContact N-OE2 3.44Å; S190-E193 PolarHBondContact O-N 2.84Å; S190-E193 VanDerWaalsContact O-N 3.12Å; S190-E193 VanDerWaalsContact OG-CD 3.3Å; S190-E193 VanDerWaalsContact OG-CG 3.32Å; S190-E193 WeakPolarHBondContact OG-CG 3.47Å; S190-E193 PolarHBondContact OG-N 2.83Å; S190-E193 PolarHBondContact OG-OE2 3.04Å; E193-R197 PolarHBondContact O-N 3.39Å; E193-P350 WeakPolarHBondContact OE1-CD 3.4Å; E193-P350 VanDerWaalsContact OE1-CG 3.32Å; E193-P350 WeakPolarHBondContact OE1-CG 3.15Å
194I88.8Confident84.4Confident39 Ų3974.9 Ų74.920%0.239%0.387CS..Hα-helixtrans-65.7-46.9170.2-54.8-53.7000110.4A189 S190 L191 E192 Q196 R197 K198 Y347A189-I194 HydrophobicContact CB-CD1 3.65Å; A189-I194 HydrophobicContact CB-CG1 4.32Å; S190-I194 PolarHBondContact O-N 3.4Å; S190-I194 VanDerWaalsContact O-N 3.16Å; L191-I194 PolarHBondContact O-N 3.44Å; E192-I194 VanDerWaalsContact C-N 3.31Å; E192-I194 PolarHBondContact O-N 2.82Å; I194-Q196 VanDerWaalsContact C-N 3.31Å; I194-Q196 PolarHBondContact O-N 2.99Å; I194-R197 VanDerWaalsContact CD1-NH2 3.26Å; I194-R197 PolarHBondContact O-N 3.29Å; I194-R197 VanDerWaalsContact O-N 3.07Å; I194-K198 HydrophobicContact CG2-CD 4.4Å; I194-K198 PolarHBondContact O-N 3.45Å; I194-Y347 HydrophobicContact CD1-CD1 4.42Å
195K89.5Confident86.6Confident98 Ų9872.3 Ų72.343%0.42637%0.365SS..Hα-helixtrans-59.7-38.8176.1-70.8165.5173.3175.10112L191 E192 R197 K198L191-K195 HydrophobicContact CG-CD 4.35Å; L191-K195 WeakPolarHBondContact O-CG 3.45Å; L191-K195 PolarHBondContact O-N 3.19Å; E192-K195 WeakPolarHBondContact O-CB 3.47Å; E192-K195 PolarHBondContact O-N 3.39Å; E192-K195 IonicContact OE1-NZ 2.62Å; E192-K195 PolarHBondContact OE1-NZ 3.08Å; E192-K195 VanDerWaalsContact OE2-CD 3.22Å; E192-K195 WeakPolarHBondContact OE2-CD 3.39Å; E192-K195 IonicContact OE2-NZ 2.64Å; E192-K195 PolarHBondContact OE2-NZ 3.03Å; K195-R197 PolarHBondContact O-N 2.98Å; K195-K198 CarbonylContact O-C 3.58Å; K195-K198 PolarHBondContact O-N 2.92Å; K195-K198 VanDerWaalsContact O-N 3.15Å; K195-K198 VanDerWaalsContact O-O 3.11Å
196Q89.1Confident88.4Confident103 Ų10374.4 Ų74.448%0.48136%0.363SS..Hα-helixtrans-63.2-21.2176.7-69.2-49.6-41.100113.8E192 I194 K316E192-Q196 VanDerWaalsContact O-CG 3.32Å; E192-Q196 WeakPolarHBondContact O-CG 3.41Å; E192-Q196 PolarHBondContact O-N 3.3Å; I194-Q196 VanDerWaalsContact C-N 3.31Å; I194-Q196 PolarHBondContact O-N 2.99Å; Q196-K316 WeakPolarHBondContact O-CE 3.21Å; Q196-K316 PolarHBondContact O-NZ 3.38Å
197R91.9Very high90.3Very high25 Ų2571 Ų719%0.09434%0.341CS..Hα-helixtrans-94.4-16.7175.6-70-169.4-82.4141.6-18.5114.3E193 I194 K195 E337 A338 P340 A346 R348 M356E193-R197 PolarHBondContact O-N 3.39Å; I194-R197 VanDerWaalsContact CD1-NH2 3.26Å; I194-R197 PolarHBondContact O-N 3.29Å; I194-R197 VanDerWaalsContact O-N 3.07Å; K195-R197 PolarHBondContact O-N 2.98Å; R197-E337 CarbonylContact O-C 3.53Å; R197-E337 WeakPolarHBondContact O-CA 3.32Å; R197-A338 HydrophobicContact CB-CB 4.24Å; R197-A338 HydrophobicContact CG-CB 4.36Å; R197-A338 PolarHBondContact O-N 2.98Å; R197-P340 VanDerWaalsContact NH1-CG 3.35Å; R197-A346 PolarHBondContact NH1-O 3.23Å; R197-A346 PolarHBondContact NH2-O 2.95Å; R197-R348 PolarHBondContact NH2-O 2.88Å; R197-M356 HydrophobicContact CG-SD 4.43Å
198K94.5Very high91.7Very high109 Ų10966.9 Ų66.947%0.47432%0.316SS..EExtended strand (participates in β ladder)trans-130.994.3-176.2-75.7172.7174.4-80.90109.7I194 K195 E337I194-K198 HydrophobicContact CG2-CD 4.4Å; I194-K198 PolarHBondContact O-N 3.45Å; K195-K198 CarbonylContact O-C 3.58Å; K195-K198 PolarHBondContact O-N 2.92Å; K195-K198 VanDerWaalsContact O-N 3.15Å; K195-K198 VanDerWaalsContact O-O 3.11Å; K198-E337 HydrophobicContact CG-CG 4Å; K198-E337 IonicContact NZ-OE1 2.76Å; K198-E337 PolarHBondContact NZ-OE1 3.44Å; K198-E337 IonicContact NZ-OE2 3.76Å; K198-E337 PolarHBondContact NZ-OE2 3.14Å
199V95.9Very high92.5Very high20 Ų2061.2 Ų61.212%0.12129%0.291CS..EExtended strand (participates in β ladder)trans-115119.7-173.8-179.90000109.9K316 G335 F336V199-K316 HydrophobicContact CG1-CG 4.09Å; V199-K316 HydrophobicContact CG2-CD 4.4Å; V199-K316 HydrophobicContact CG2-CG 3.92Å; V199-G335 CarbonylContact O-C 3.55Å; V199-G335 WeakPolarHBondContact O-CA 3.32Å; V199-F336 HydrophobicContact CB-CD1 3.88Å; V199-F336 HydrophobicContact CB-CE1 3.6Å; V199-F336 HydrophobicContact CB-CZ 4.12Å; V199-F336 HydrophobicContact CG1-CE1 4.24Å; V199-F336 HydrophobicContact CG2-CD1 4.26Å; V199-F336 HydrophobicContact CG2-CE1 3.5Å; V199-F336 VanDerWaalsContact CG2-CE1 3.5Å; V199-F336 HydrophobicContact CG2-CE2 4.43Å; V199-F336 HydrophobicContact CG2-CZ 3.59Å; V199-F336 PolarHBondContact N-O 3.08Å; V199-F336 PolarHBondContact O-N 3.41Å
200L95.4Very high93Very high72 Ų7265.1 Ų65.138%0.37730%0.302SS..EExtended strand (participates in β ladder)trans-138.6106.9167.9175.261.1000107.8L202 V334 L361L200-L202 HydrophobicContact CD2-CD2 4.01Å; L200-L202 HydrophobicContact CG-CD2 4.15Å; L200-L202 PolarHBondContact O-N 3.41Å; L200-V334 HydrophobicContact CD1-CB 4.36Å; L200-V334 HydrophobicContact CD1-CG2 3.87Å; L200-L361 HydrophobicContact CB-CD1 4.15Å; L200-L361 HydrophobicContact CD1-CD1 4.07Å; L200-L361 HydrophobicContact CG-CD1 4.48Å
201D93.3Very high93.4Very high26 Ų2666 Ų6614%0.13931%0.306CS..  trans-84105.1172.9-174.6-16.9000108.5R203 R204 F228D201-R203 PolarHBondContact O-N 3.33Å; D201-R203 VanDerWaalsContact O-N 3.16Å; D201-R203 WeakPolarHBondContact OD1-CB 3.3Å; D201-R203 WeakPolarHBondContact OD1-CG 3.36Å; D201-R203 IonicContact OD1-CZ 2.66Å; D201-R203 PolarHBondContact OD1-N 3.46Å; D201-R203 IonicContact OD1-NE 3.42Å; D201-R203 PolarHBondContact OD1-NE 3.37Å; D201-R203 IonicContact OD1-NH2 2.76Å; D201-R203 IonicContact OD2-CZ 3.33Å; D201-R203 IonicContact OD2-NE 2.72Å; D201-R203 PolarHBondContact OD2-NE 3.16Å; D201-R203 IonicContact OD2-NH2 3.19Å; D201-R203 PolarHBondContact OD2-NH2 2.85Å; D201-R204 HydrophobicContact CB-CG 3.9Å; D201-R204 VanDerWaalsContact O-CB 3.31Å; D201-R204 WeakPolarHBondContact O-CB 3.32Å; D201-R204 PolarHBondContact O-N 3.1Å; D201-F228 WeakPolarHBondContact OD2-CE2 3.46Å
202L95.4Very high93.4Very high74 Ų7461.9 Ų61.939%0.38728%0.284SS..Hα-helixtrans-59-26.6-178.5-63.6176.1000112.5L200 R204 W205 Y206L200-L202 HydrophobicContact CD2-CD2 4.01Å; L200-L202 HydrophobicContact CG-CD2 4.15Å; L200-L202 PolarHBondContact O-N 3.41Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 2.62Å; L202-W205 HydrophobicContact CD2-CE3 3.97Å; L202-W205 HydrophobicContact CD2-CZ3 4.44Å; L202-W205 CarbonylContact O-C 3.37Å; L202-W205 WeakPolarHBondContact O-CA 3.45Å; L202-W205 WeakPolarHBondContact O-CB 3.32Å; L202-W205 PolarHBondContact O-N 3.01Å; L202-Y206 HydrophobicContact CB-CE1 4.25Å; L202-Y206 HydrophobicContact CB-CE2 3.99Å; L202-Y206 WeakPolarHBondContact O-CD1 3.19Å; L202-Y206 WeakPolarHBondContact O-CD2 3.28Å; L202-Y206 PolarHBondContact O-N 2.85Å
203R96.9Very high93.6Very high72 Ų7259.7 Ų59.727%0.27227%0.272SS..Hα-helixtrans-64.2-37.3175.7-59.3171.7-64.3-174.2-0.4111.6D201 W205 Y206 C207 F228 L233 E318D201-R203 PolarHBondContact O-N 3.33Å; D201-R203 VanDerWaalsContact O-N 3.16Å; D201-R203 WeakPolarHBondContact OD1-CB 3.3Å; D201-R203 WeakPolarHBondContact OD1-CG 3.36Å; D201-R203 IonicContact OD1-CZ 2.66Å; D201-R203 PolarHBondContact OD1-N 3.46Å; D201-R203 IonicContact OD1-NE 3.42Å; D201-R203 PolarHBondContact OD1-NE 3.37Å; D201-R203 IonicContact OD1-NH2 2.76Å; D201-R203 IonicContact OD2-CZ 3.33Å; D201-R203 IonicContact OD2-NE 2.72Å; D201-R203 PolarHBondContact OD2-NE 3.16Å; D201-R203 IonicContact OD2-NH2 3.19Å; D201-R203 PolarHBondContact OD2-NH2 2.85Å; R203-W205 PolarHBondContact O-N 3.12Å; R203-Y206 PolarHBondContact O-N 3.05Å; R203-C207 WeakPolarHBondContact O-CB 3.2Å; R203-C207 PolarHBondContact O-N 3.35Å; R203-C207 PolarHBondContact O-SG 3.49Å; R203-F228 HydrophobicContact CB-CD2 4.23Å; R203-F228 HydrophobicContact CB-CE2 4.14Å; R203-L233 WeakPolarHBondContact CB-O 3.18Å; R203-E318 IonicContact CZ-OE1 2.62Å; R203-E318 IonicContact NH1-OE1 3.82Å; R203-E318 PolarHBondContact NH1-OE1 2.82Å; R203-E318 IonicContact NH2-OE1 3.27Å; R203-E318 PolarHBondContact NH2-OE1 2.91Å
204R97.3Very high93.6Very high11 Ų1165.4 Ų65.44%0.04230%0.296CS..Hα-helixtrans-60.5-37.8172.9-60.9176.2-177.7-75.6-0.2110.8D201 L202 I208 F228 G314 L315 D317 M320 V334D201-R204 HydrophobicContact CB-CG 3.9Å; D201-R204 VanDerWaalsContact O-CB 3.31Å; D201-R204 WeakPolarHBondContact O-CB 3.32Å; D201-R204 PolarHBondContact O-N 3.1Å; L202-R204 VanDerWaalsContact C-N 3.31Å; L202-R204 PolarHBondContact O-N 2.62Å; R204-I208 WeakPolarHBondContact O-CG1 3.49Å; R204-F228 HydrophobicContact CB-CD2 4.12Å; R204-F228 HydrophobicContact CB-CE2 4.36Å; R204-F228 HydrophobicContact CG-CD1 4.37Å; R204-F228 HydrophobicContact CG-CD2 3.45Å; R204-F228 VanDerWaalsContact CG-CD2 3.45Å; R204-F228 HydrophobicContact CG-CE1 4.28Å; R204-F228 HydrophobicContact CG-CE2 3.31Å; R204-F228 HydrophobicContact CG-CG 3.98Å; R204-F228 HydrophobicContact CG-CZ 3.75Å; R204-G314 PolarHBondContact NH2-O 2.62Å; R204-L315 PolarHBondContact NE-O 3.11Å; R204-L315 PolarHBondContact NH2-O 2.93Å; R204-D317 PolarHBondContact NH2-O 2.99Å; R204-M320 VanDerWaalsContact CZ-O 3.3Å; R204-M320 PolarHBondContact NH1-O 3.11Å; R204-M320 PolarHBondContact NH2-O 3.43Å; R204-V334 HydrophobicContact CB-CB 3.98Å; R204-V334 HydrophobicContact CB-CG1 3.9Å; R204-V334 WeakPolarHBondContact CD-O 3.23Å
205W95.8Very high93.4Very high104 Ų10467.4 Ų67.439%0.39431%0.31SS..Hα-helixtrans-73-43.2177.8-173.623.6000112.5L202 R203 C207 I208 I372L202-W205 HydrophobicContact CD2-CE3 3.97Å; L202-W205 HydrophobicContact CD2-CZ3 4.44Å; L202-W205 CarbonylContact O-C 3.37Å; L202-W205 WeakPolarHBondContact O-CA 3.45Å; L202-W205 WeakPolarHBondContact O-CB 3.32Å; L202-W205 PolarHBondContact O-N 3.01Å; R203-W205 PolarHBondContact O-N 3.12Å; W205-C207 PolarHBondContact O-N 2.86Å; W205-I208 WeakPolarHBondContact O-CB 3.37Å; W205-I208 WeakPolarHBondContact O-CG1 3.23Å; W205-I208 PolarHBondContact O-N 3.02Å; W205-I372 HydrophobicContact CD2-CD1 3.82Å; W205-I372 HydrophobicContact CE3-CD1 4.16Å; W205-I372 HydrophobicContact CG-CD1 4.28Å; W205-I372 HydrophobicContact CH2-CD1 4.27Å; W205-I372 HydrophobicContact CZ2-CD1 3.93Å; W205-I372 HydrophobicContact CZ2-CG1 4.41Å; W205-I372 HydrophobicContact CZ3-CD1 4.37Å
206Y96.1Very high93.5Very high144 Ų14462.8 Ų62.857%0.56529%0.29SS*.Hα-helixtrans-59.5-31.6174.3-56.4-28.3000112.5L202 R203 I208L202-Y206 HydrophobicContact CB-CE1 4.25Å; L202-Y206 HydrophobicContact CB-CE2 3.99Å; L202-Y206 WeakPolarHBondContact O-CD1 3.19Å; L202-Y206 WeakPolarHBondContact O-CD2 3.28Å; L202-Y206 PolarHBondContact O-N 2.85Å; R203-Y206 PolarHBondContact O-N 3.05Å; Y206-I208 VanDerWaalsContact C-N 3.31Å; Y206-I208 PolarHBondContact O-N 3.26Å
207C97.6Very high93.7Very high4 Ų458.4 Ų58.43%0.02727%0.27CS..THydrogen-bonded Turntrans-78.1-7.3176.5-64.50000114.3R203 W205 S209 S224 N227 F228R203-C207 WeakPolarHBondContact O-CB 3.2Å; R203-C207 PolarHBondContact O-N 3.35Å; R203-C207 PolarHBondContact O-SG 3.49Å; W205-C207 PolarHBondContact O-N 2.86Å; C207-S209 PolarHBondContact O-N 2.94Å; C207-S224 VanDerWaalsContact O-CA 3.23Å; C207-S224 WeakPolarHBondContact O-CA 3.39Å; C207-S224 WeakPolarHBondContact O-CB 3.45Å; C207-N227 HydrophobicContact CB-CB 3.98Å; C207-F228 HydrophobicContact CB-CB 4.12Å; C207-F228 VanDerWaalsContact SG-CA 3.57Å; C207-F228 PolarHBondContact SG-N 3.47Å
208I97.3Very high93.8Very high19 Ų1957.2 Ų57.210%0.09727%0.266CS..  trans-65.7110.1-178.8-60.9-61.7000110.2R204 W205 Y206 R210 C332 V334R204-I208 WeakPolarHBondContact O-CG1 3.49Å; W205-I208 WeakPolarHBondContact O-CB 3.37Å; W205-I208 WeakPolarHBondContact O-CG1 3.23Å; W205-I208 PolarHBondContact O-N 3.02Å; Y206-I208 VanDerWaalsContact C-N 3.31Å; Y206-I208 PolarHBondContact O-N 3.26Å; I208-R210 HydrophobicContact CG2-CB 4.26Å; I208-R210 PolarHBondContact O-N 3Å; I208-C332 HydrophobicContact CD1-CB 3.6Å; I208-V334 HydrophobicContact CD1-CG1 3.92Å; I208-V334 HydrophobicContact CG1-CG1 4.3Å
209S95.3Very high93.8Very high18 Ų1852.1 Ų52.113%0.12624%0.244CC..  trans-72.186.7-178.1-165.30000110.9C207 S220 S224 Q243C207-S209 PolarHBondContact O-N 2.94Å; S209-S220 WeakPolarHBondContact CB-O 3.46Å; S209-S224 WeakPolarHBondContact CB-OG 3.37Å; S209-S224 PolarHBondContact N-OG 3.45Å; S209-Q243 WeakPolarHBondContact OG-CG 3.16Å
210R93.6Very high93.8Very high101 Ų10151.1 Ų51.138%0.38124%0.238SC..  trans-129.6133.8-174-177175.7-148.8-127.7-0.5109.5I208 E364 P365 S366 H369I208-R210 HydrophobicContact CG2-CB 4.26Å; I208-R210 PolarHBondContact O-N 3Å; R210-E364 WeakPolarHBondContact CD-O 3.21Å; R210-E364 PolarHBondContact NE-O 3.11Å; R210-E364 VanDerWaalsContact NE-O 3.13Å; R210-P365 WeakPolarHBondContact CG-O 3.49Å; R210-S366 PolarHBondContact NE-O 2.83Å; R210-S366 PolarHBondContact NH2-O 2.97Å; R210-H369 PolarHBondContact NH2-O 2.67Å
211P93.4Very high93.9Very high77 Ų7747.7 Ų47.750%0.522%0.22SC..SBendcis-80.6146.91.834.3-36.5000113.4Q243 R367P211-Q243 PolarHBondContact O-NE2 3.35Å; P211-R367 HydrophobicContact CB-CB 4.01Å; P211-R367 HydrophobicContact CB-CG 4.34Å
212Q90.6Very high94.1Very high30 Ų3046.5 Ų46.514%0.1421%0.214CC..PPolyproline II helixtrans-77.4155.9167.263.8164.199.200113.9C217 S220 P365Q212-C217 VanDerWaalsContact NE2-N 3.17Å; Q212-C217 VanDerWaalsContact OE1-CB 3.24Å; Q212-S220 WeakPolarHBondContact CB-OG 3.21Å; Q212-P365 HydrophobicContact CB-CB 4.11Å; Q212-P365 HydrophobicContact CG-CB 4.32Å; Q212-P365 PolarHBondContact N-O 3.31Å
213Y90.7Very high94.2Very high54 Ų5443 Ų4321%0.21220%0.195CC..PPolyproline II helixtrans-68.3165.9163.1-68.4-68.9000112.7T215 S216 E244 F256 E257Y213-T215 PolarHBondContact O-N 3.31Å; Y213-S216 VanDerWaalsContact C-OG 3.25Å; Y213-S216 VanDerWaalsContact CA-OG 3.31Å; Y213-S216 WeakPolarHBondContact CA-OG 3.42Å; Y213-S216 WeakPolarHBondContact CB-OG 3.46Å; Y213-S216 PolarHBondContact N-OG 3.02Å; Y213-S216 PolarHBondContact O-N 3.37Å; Y213-S216 PolarHBondContact O-OG 3.04Å; Y213-E244 HydrophobicContact CE2-CG 4.11Å; Y213-E244 VanDerWaalsContact CE2-OE1 3.23Å; Y213-E244 WeakPolarHBondContact CE2-OE1 3.38Å; Y213-E244 WeakPolarHBondContact OH-CG 3.49Å; Y213-E244 PolarHBondContact OH-OE1 2.87Å; Y213-F256 HydrophobicContact CD2-CB 4.21Å; Y213-F256 HydrophobicContact CE1-CB 4.4Å; Y213-F256 HydrophobicContact CE2-CB 3.77Å; Y213-E257 HydrophobicContact CD1-CG 3.73Å; Y213-E257 HydrophobicContact CE1-CG 3.57Å
214K87Confident94.3Very high173 Ų17339.7 Ų39.775%0.75218%0.184SC*.THydrogen-bonded Turntrans-59131.8176-170.5178.8177.1-174.90110.3S216K214-S216 PolarHBondContact O-N 3.48Å
215T85.5Confident94.3Very high82 Ų8239.4 Ų39.450%0.50318%0.183SC..THydrogen-bonded Turntrans58.22.9-176.158.60000117.5Y213 C217Y213-T215 PolarHBondContact O-N 3.31Å; T215-C217 PolarHBondContact O-N 3.23Å
216S91.2Very high94.4Very high1 Ų134.5 Ų34.51%0.00717%0.165CC..  trans-86.910.7-174.673.10000115.9Y213 K214 G218 I219 S220 F261Y213-S216 VanDerWaalsContact C-OG 3.25Å; Y213-S216 VanDerWaalsContact CA-OG 3.31Å; Y213-S216 WeakPolarHBondContact CA-OG 3.42Å; Y213-S216 WeakPolarHBondContact CB-OG 3.46Å; Y213-S216 PolarHBondContact N-OG 3.02Å; Y213-S216 PolarHBondContact O-N 3.37Å; Y213-S216 PolarHBondContact O-OG 3.04Å; K214-S216 PolarHBondContact O-N 3.48Å; S216-G218 PolarHBondContact O-N 2.57Å; S216-I219 WeakPolarHBondContact O-CG2 3.46Å; S216-I219 PolarHBondContact O-N 2.77Å; S216-S220 PolarHBondContact O-N 3.49Å; S216-S220 PolarHBondContact O-OG 2.87Å; S216-S220 VanDerWaalsContact O-OG 3.07Å; S216-S220 PolarHBondContact OG-OG 3.13Å; S216-F261 VanDerWaalsContact CB-CE2 3.46Å
217C92.5Very high94.6Very high10 Ų1028 Ų287%0.06814%0.14CC..Hα-helixtrans-54.5-32.1-170.444.70000114.3Q212 T215 S221 H329Q212-C217 VanDerWaalsContact NE2-N 3.17Å; Q212-C217 VanDerWaalsContact OE1-CB 3.24Å; T215-C217 PolarHBondContact O-N 3.23Å; C217-S221 VanDerWaalsContact O-CB 3.24Å; C217-S221 WeakPolarHBondContact O-CB 3.24Å; C217-S221 PolarHBondContact O-N 3.39Å; C217-S221 PolarHBondContact O-OG 3.18Å; C217-H329 WeakPolarHBondContact CB-CE1 3.5Å; C217-H329 WeakPolarHBondContact CB-ND1 3.48Å; C217-H329 PolarHBondContact SG-ND1 2.89Å
218G94.1Very high94.6Very high1 Ų128 Ų281%0.0114%0.139CC..Hα-helixtrans-64.2-47.9174.100000113.5S216 L222 L270 Y330S216-G218 PolarHBondContact O-N 2.57Å; G218-L222 WeakPolarHBondContact O-CB 3.46Å; G218-L222 PolarHBondContact O-N 2.81Å; G218-L270 WeakPolarHBondContact O-CD2 3.46Å; G218-Y330 VanDerWaalsContact CA-CD2 3.41Å
219I95Very high94.6Very high1 Ų127.1 Ų27.11%0.00514%0.135CC..Hα-helixtrans-70.9-39.4178.5-176.959.8000111.2S216 S221 L222 V223 A246 L247 L250 F261 W273S216-I219 WeakPolarHBondContact O-CG2 3.46Å; S216-I219 PolarHBondContact O-N 2.77Å; I219-S221 VanDerWaalsContact C-N 3.35Å; I219-S221 PolarHBondContact O-N 2.85Å; I219-L222 HydrophobicContact CD1-CB 4.5Å; I219-L222 HydrophobicContact CD1-CD2 4.06Å; I219-L222 WeakPolarHBondContact O-CB 3.41Å; I219-L222 PolarHBondContact O-N 3.1Å; I219-L222 VanDerWaalsContact O-N 3.16Å; I219-V223 HydrophobicContact CD1-CG2 4.16Å; I219-V223 HydrophobicContact CG1-CG2 4.36Å; I219-V223 WeakPolarHBondContact O-CG2 3.44Å; I219-V223 PolarHBondContact O-N 3.06Å; I219-A246 HydrophobicContact CD1-CB 4.25Å; I219-L247 HydrophobicContact CG1-CD2 4.08Å; I219-L247 HydrophobicContact CG1-CG 4.29Å; I219-L247 HydrophobicContact CG2-CD2 4.34Å; I219-L250 HydrophobicContact CD1-CD1 3.56Å; I219-F261 HydrophobicContact CG2-CE1 3.92Å; I219-F261 HydrophobicContact CG2-CZ 3.92Å; I219-W273 HydrophobicContact CB-CZ3 4.14Å; I219-W273 HydrophobicContact CD1-CE3 4.15Å
220S95.9Very high94.7Very high0 Ų026.7 Ų26.70%013%0.13CC..Hα-helixtrans-63.3-40.5176.3-380000111.8S209 Q212 S216 S224 Q243S209-S220 WeakPolarHBondContact CB-O 3.46Å; Q212-S220 WeakPolarHBondContact CB-OG 3.21Å; S216-S220 PolarHBondContact O-N 3.49Å; S216-S220 PolarHBondContact O-OG 2.87Å; S216-S220 VanDerWaalsContact O-OG 3.07Å; S216-S220 PolarHBondContact OG-OG 3.13Å; S220-S224 WeakPolarHBondContact O-CB 3.31Å; S220-S224 PolarHBondContact O-N 3.41Å; S220-S224 PolarHBondContact O-OG 3.37Å; S220-Q243 PolarHBondContact OG-OE1 3.27Å
221S97.1Very high94.9Very high0 Ų021.9 Ų21.90%011%0.112CC..Hα-helixtrans-65.4-38.9173.2-620000112.4C217 I219 S224 C225 Y330C217-S221 VanDerWaalsContact O-CB 3.24Å; C217-S221 WeakPolarHBondContact O-CB 3.24Å; C217-S221 PolarHBondContact O-N 3.39Å; C217-S221 PolarHBondContact O-OG 3.18Å; I219-S221 VanDerWaalsContact C-N 3.35Å; I219-S221 PolarHBondContact O-N 2.85Å; S221-S224 WeakPolarHBondContact O-CB 3.47Å; S221-S224 PolarHBondContact O-N 3.16Å; S221-C225 PolarHBondContact O-N 2.92Å; S221-C225 PolarHBondContact O-SG 2.8Å; S221-C225 VanDerWaalsContact O-SG 3.33Å; S221-Y330 PolarHBondContact OG-O 3.37Å
222L97.7Very high95.1Very high0 Ų022.5 Ų22.50%012%0.115CC..Hα-helixtrans-65.3-46.3176.7174.961.4000112.2G218 I219 S224 C225 W226 W273 F274 L277 I323 F419G218-L222 WeakPolarHBondContact O-CB 3.46Å; G218-L222 PolarHBondContact O-N 2.81Å; I219-L222 HydrophobicContact CD1-CB 4.5Å; I219-L222 HydrophobicContact CD1-CD2 4.06Å; I219-L222 WeakPolarHBondContact O-CB 3.41Å; I219-L222 PolarHBondContact O-N 3.1Å; I219-L222 VanDerWaalsContact O-N 3.16Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 3.14Å; L222-C225 PolarHBondContact O-N 2.87Å; L222-W226 WeakPolarHBondContact O-CB 3.35Å; L222-W226 PolarHBondContact O-N 2.9Å; L222-W273 HydrophobicContact CD2-CB 3.43Å; L222-W273 VanDerWaalsContact CD2-CB 3.43Å; L222-W273 HydrophobicContact CD2-CE3 4.35Å; L222-F274 HydrophobicContact CD1-CB 3.69Å; L222-F274 HydrophobicContact CD1-CD2 3.82Å; L222-F274 HydrophobicContact CD1-CG 4.19Å; L222-L277 HydrophobicContact CD2-CD1 4.14Å; L222-L277 HydrophobicContact CG-CD1 4.21Å; L222-I323 HydrophobicContact CB-CD1 4.38Å; L222-F419 HydrophobicContact CD1-CD1 4.42Å; L222-F419 HydrophobicContact CD1-CE1 4Å
223V98.1Very high95.4Very high0 Ų024.8 Ų24.80%013%0.127CC..Hα-helixtrans-59.6-40.4173.7168.70000110.6I219 C225 W226 N227 I241 A246I219-V223 HydrophobicContact CD1-CG2 4.16Å; I219-V223 HydrophobicContact CG1-CG2 4.36Å; I219-V223 WeakPolarHBondContact O-CG2 3.44Å; I219-V223 PolarHBondContact O-N 3.06Å; V223-C225 PolarHBondContact O-N 3.1Å; V223-W226 PolarHBondContact O-N 3.46Å; V223-N227 WeakPolarHBondContact O-CB 3.47Å; V223-N227 PolarHBondContact O-N 3.02Å; V223-I241 HydrophobicContact CG1-CG1 4.16Å; V223-A246 HydrophobicContact CG2-CB 3.43Å; V223-A246 VanDerWaalsContact CG2-CB 3.43Å
224S98.1Very high95.7Very high4 Ų422.6 Ų22.63%0.02812%0.122CC..Hα-helixtrans-60.3-45.2176.2-52.30000112.5C207 S209 S220 S221 L222 F228C207-S224 VanDerWaalsContact O-CA 3.23Å; C207-S224 WeakPolarHBondContact O-CA 3.39Å; C207-S224 WeakPolarHBondContact O-CB 3.45Å; S209-S224 WeakPolarHBondContact CB-OG 3.37Å; S209-S224 PolarHBondContact N-OG 3.45Å; S220-S224 WeakPolarHBondContact O-CB 3.31Å; S220-S224 PolarHBondContact O-N 3.41Å; S220-S224 PolarHBondContact O-OG 3.37Å; S221-S224 WeakPolarHBondContact O-CB 3.47Å; S221-S224 PolarHBondContact O-N 3.16Å; L222-S224 VanDerWaalsContact C-N 3.27Å; L222-S224 PolarHBondContact O-N 3.14Å; S224-F228 PolarHBondContact O-N 3.45Å; S224-F228 VanDerWaalsContact O-N 3.1Å
225C98.3Very high96.1Very high5 Ų515.2 Ų15.23%0.0349%0.093CC..Hα-helixtrans-66.1-41.6175.6-68.50000112.2S221 L222 V223 F228 L229 A321 Y322 I323S221-C225 PolarHBondContact O-N 2.92Å; S221-C225 PolarHBondContact O-SG 2.8Å; S221-C225 VanDerWaalsContact O-SG 3.33Å; L222-C225 PolarHBondContact O-N 2.87Å; V223-C225 PolarHBondContact O-N 3.1Å; C225-F228 PolarHBondContact O-N 3.05Å; C225-L229 VanDerWaalsContact O-CG 3.28Å; C225-L229 WeakPolarHBondContact O-CG 3.38Å; C225-L229 PolarHBondContact O-N 2.85Å; C225-L229 VanDerWaalsContact O-N 3.08Å; C225-A321 HydrophobicContact CB-CB 3.8Å; C225-Y322 PolarHBondContact SG-O 2.93Å; C225-Y322 VanDerWaalsContact SG-O 3.39Å; C225-I323 WeakPolarHBondContact SG-CG1 3.3Å
226W98.4Very high96.5Very high0 Ų012.3 Ų12.30%08%0.079CC..Hα-helixtrans-64.8-46.1179.4-169.395.4000111.4L222 V223 F228 L229 Y230 L238 I241 N278 F281L222-W226 WeakPolarHBondContact O-CB 3.35Å; L222-W226 PolarHBondContact O-N 2.9Å; V223-W226 PolarHBondContact O-N 3.46Å; W226-F228 VanDerWaalsContact C-N 3.33Å; W226-F228 PolarHBondContact O-N 3.3Å; W226-L229 PolarHBondContact O-N 2.97Å; W226-L229 VanDerWaalsContact O-N 3.14Å; W226-Y230 AromaticContact CD1-CD2 3.62Å; W226-Y230 AromaticContact CD1-CE2 3.89Å; W226-Y230 AromaticContact CD2-CD2 3.95Å; W226-Y230 HydrophobicContact CD2-CD2 3.95Å; W226-Y230 AromaticContact CE2-CD2 3.64Å; W226-Y230 AromaticContact CG-CD2 3.93Å; W226-Y230 HydrophobicContact CG-CD2 3.93Å; W226-Y230 HydrophobicContact CZ2-CD2 4.23Å; W226-Y230 HydrophobicContact CZ2-CG 4.25Å; W226-Y230 AromaticContact NE1-CD2 3.43Å; W226-Y230 AromaticContact NE1-CE2 3.83Å; W226-Y230 WeakPolarHBondContact O-CD2 3.11Å; W226-Y230 PolarHBondContact O-N 2.8Å; W226-L238 HydrophobicContact CH2-CB 4.21Å; W226-L238 HydrophobicContact CH2-CD1 3.64Å; W226-L238 HydrophobicContact CZ2-CD1 3.85Å; W226-I241 HydrophobicContact CD2-CD1 3.85Å; W226-I241 HydrophobicContact CD2-CG1 4.46Å; W226-I241 HydrophobicContact CE3-CD1 3.58Å; W226-I241 HydrophobicContact CE3-CG1 3.7Å; W226-I241 HydrophobicContact CE3-CG2 4.22Å; W226-I241 HydrophobicContact CG-CD1 4.33Å; W226-I241 HydrophobicContact CH2-CG2 4.03Å; W226-I241 HydrophobicContact CZ3-CB 4.35Å; W226-I241 HydrophobicContact CZ3-CD1 4.05Å; W226-I241 HydrophobicContact CZ3-CG1 3.98Å; W226-I241 HydrophobicContact CZ3-CG2 3.61Å; W226-N278 VanDerWaalsContact CD1-OD1 3.26Å; W226-N278 PolarHBondContact NE1-OD1 2.87Å; W226-F281 AromaticContact CE2-CD2 3.92Å; W226-F281 HydrophobicContact CH2-CB 4.45Å; W226-F281 HydrophobicContact CH2-CD1 4.32Å; W226-F281 AromaticContact CH2-CD2 3.78Å; W226-F281 HydrophobicContact CH2-CD2 3.78Å; W226-F281 HydrophobicContact CH2-CE2 4.11Å; W226-F281 AromaticContact CH2-CG 3.92Å; W226-F281 HydrophobicContact CH2-CG 3.92Å; W226-F281 HydrophobicContact CZ2-CB 3.78Å; W226-F281 HydrophobicContact CZ2-CD1 4.39Å; W226-F281 AromaticContact CZ2-CD2 3.29Å; W226-F281 HydrophobicContact CZ2-CD2 3.29Å; W226-F281 AromaticContact CZ2-CE2 3.98Å; W226-F281 HydrophobicContact CZ2-CE2 3.98Å; W226-F281 AromaticContact CZ2-CG 3.55Å; W226-F281 HydrophobicContact CZ2-CG 3.55Å
227N98.4Very high96.7Very high9 Ų917.2 Ų17.25%0.04811%0.113CC..Hα-helixtrans-60.5-41.6176.1-79.5-22.3000111.6C207 V223 L229 S231 P240 I241C207-N227 HydrophobicContact CB-CB 3.98Å; V223-N227 WeakPolarHBondContact O-CB 3.47Å; V223-N227 PolarHBondContact O-N 3.02Å; N227-L229 VanDerWaalsContact C-N 3.35Å; N227-L229 PolarHBondContact O-N 3.01Å; N227-S231 WeakPolarHBondContact O-CA 3.31Å; N227-S231 VanDerWaalsContact O-CB 3.24Å; N227-S231 WeakPolarHBondContact O-CB 3.31Å; N227-S231 PolarHBondContact O-N 2.72Å; N227-S231 PolarHBondContact O-OG 3.17Å; N227-P240 WeakPolarHBondContact OD1-CA 3.28Å; N227-I241 PolarHBondContact ND2-O 3.07Å; N227-I241 PolarHBondContact OD1-N 3.15Å
228F98.3Very high96.9Very high4 Ų419.2 Ų19.22%0.01812%0.123CC..Hα-helixtrans-61.7-41.1174.6175-99.7000112.8D201 R203 R204 C207 S224 C225 W226 G234 A235 M320 A321D201-F228 WeakPolarHBondContact OD2-CE2 3.46Å; R203-F228 HydrophobicContact CB-CD2 4.23Å; R203-F228 HydrophobicContact CB-CE2 4.14Å; R204-F228 HydrophobicContact CB-CD2 4.12Å; R204-F228 HydrophobicContact CB-CE2 4.36Å; R204-F228 HydrophobicContact CG-CD1 4.37Å; R204-F228 HydrophobicContact CG-CD2 3.45Å; R204-F228 VanDerWaalsContact CG-CD2 3.45Å; R204-F228 HydrophobicContact CG-CE1 4.28Å; R204-F228 HydrophobicContact CG-CE2 3.31Å; R204-F228 HydrophobicContact CG-CG 3.98Å; R204-F228 HydrophobicContact CG-CZ 3.75Å; C207-F228 HydrophobicContact CB-CB 4.12Å; C207-F228 VanDerWaalsContact SG-CA 3.57Å; C207-F228 PolarHBondContact SG-N 3.47Å; S224-F228 PolarHBondContact O-N 3.45Å; S224-F228 VanDerWaalsContact O-N 3.1Å; C225-F228 PolarHBondContact O-N 3.05Å; W226-F228 VanDerWaalsContact C-N 3.33Å; W226-F228 PolarHBondContact O-N 3.3Å; F228-G234 CarbonylContact O-C 3.43Å; F228-G234 VanDerWaalsContact O-CA 3.31Å; F228-G234 WeakPolarHBondContact O-CA 3.38Å; F228-A235 PolarHBondContact O-N 3.33Å; F228-M320 WeakPolarHBondContact CE1-O 3.2Å; F228-A321 HydrophobicContact CD1-CB 4.07Å
229L97.9Very high97.1Very high0 Ų023.7 Ų23.70%015%0.154CC..Hα-helixtrans-77.6-35.7-175.5-69.7174.3000113.9C225 W226 N227 F274 S319 A321 F419 R421C225-L229 VanDerWaalsContact O-CG 3.28Å; C225-L229 WeakPolarHBondContact O-CG 3.38Å; C225-L229 PolarHBondContact O-N 2.85Å; C225-L229 VanDerWaalsContact O-N 3.08Å; W226-L229 PolarHBondContact O-N 2.97Å; W226-L229 VanDerWaalsContact O-N 3.14Å; N227-L229 VanDerWaalsContact C-N 3.35Å; N227-L229 PolarHBondContact O-N 3.01Å; L229-F274 HydrophobicContact CD1-CE2 4Å; L229-F274 HydrophobicContact CD1-CZ 3.76Å; L229-S319 WeakPolarHBondContact CD2-O 3.43Å; L229-A321 HydrophobicContact CD1-CB 4.07Å; L229-A321 HydrophobicContact CD2-CB 4.18Å; L229-A321 HydrophobicContact CG-CB 3.97Å; L229-F419 HydrophobicContact CD1-CB 4.01Å; L229-R421 HydrophobicContact CB-CB 4.41Å; L229-R421 HydrophobicContact CD2-CB 4.17Å; L229-R421 WeakPolarHBondContact O-CD 3.45Å; L229-R421 PolarHBondContact O-NE 3.11Å; L229-R421 PolarHBondContact O-NH1 3.33Å; L229-R421 VanDerWaalsContact O-NH1 3.16Å
230Y97.9Very high97.2Very high8 Ų826.2 Ų26.23%0.03117%0.171CC..Hα-helixtrans-124.2-18.8-166.2-58.5-71.4000115.4W226 G236 S237 L238 F274 N278 V283 R284 G285 R421W226-Y230 AromaticContact CD1-CD2 3.62Å; W226-Y230 AromaticContact CD1-CE2 3.89Å; W226-Y230 AromaticContact CD2-CD2 3.95Å; W226-Y230 HydrophobicContact CD2-CD2 3.95Å; W226-Y230 AromaticContact CE2-CD2 3.64Å; W226-Y230 AromaticContact CG-CD2 3.93Å; W226-Y230 HydrophobicContact CG-CD2 3.93Å; W226-Y230 HydrophobicContact CZ2-CD2 4.23Å; W226-Y230 HydrophobicContact CZ2-CG 4.25Å; W226-Y230 AromaticContact NE1-CD2 3.43Å; W226-Y230 AromaticContact NE1-CE2 3.83Å; W226-Y230 WeakPolarHBondContact O-CD2 3.11Å; W226-Y230 PolarHBondContact O-N 2.8Å; Y230-G236 CarbonylContact O-C 3.58Å; Y230-G236 WeakPolarHBondContact O-CA 3.49Å; Y230-S237 PolarHBondContact O-N 3.19Å; Y230-L238 WeakPolarHBondContact O-CB 3.39Å; Y230-L238 PolarHBondContact O-N 2.91Å; Y230-F274 AromaticContact CE2-CE2 3.93Å; Y230-F274 HydrophobicContact CE2-CE2 3.93Å; Y230-F274 AromaticContact CE2-CZ 3.9Å; Y230-F274 HydrophobicContact CE2-CZ 3.9Å; Y230-N278 WeakPolarHBondContact CE2-OD1 3.45Å; Y230-V283 HydrophobicContact CD1-CB 3.83Å; Y230-V283 HydrophobicContact CD1-CG1 3.96Å; Y230-V283 HydrophobicContact CD1-CG2 3.81Å; Y230-V283 HydrophobicContact CD2-CG2 4.28Å; Y230-V283 HydrophobicContact CE1-CB 3.68Å; Y230-V283 HydrophobicContact CE1-CG1 4.31Å; Y230-V283 HydrophobicContact CE1-CG2 3.68Å; Y230-V283 HydrophobicContact CE2-CG2 4.15Å; Y230-V283 HydrophobicContact CG-CG2 4.11Å; Y230-R284 PolarHBondContact OH-O 2.96Å; Y230-G285 WeakPolarHBondContact OH-CA 3.24Å; Y230-R421 HydrophobicContact CD1-CG 4.35Å; Y230-R421 HydrophobicContact CE1-CB 3.99Å; Y230-R421 HydrophobicContact CE1-CG 3.67Å
231S97.7Very high97.3Very high0 Ų026.5 Ų26.50%017%0.172CC..BIsolated β-bridgetrans-89.1163.4-18085.10000113.8N227 L233 G234 G236 L238N227-S231 WeakPolarHBondContact O-CA 3.31Å; N227-S231 VanDerWaalsContact O-CB 3.24Å; N227-S231 WeakPolarHBondContact O-CB 3.31Å; N227-S231 PolarHBondContact O-N 2.72Å; N227-S231 PolarHBondContact O-OG 3.17Å; S231-L233 PolarHBondContact O-N 3.25Å; S231-L233 PolarHBondContact OG-N 3.07Å; S231-G234 CarbonylContact O-C 3.55Å; S231-G234 WeakPolarHBondContact O-CA 3.46Å; S231-G234 PolarHBondContact O-N 3Å; S231-G236 CarbonylContact O-C 3.38Å; S231-G236 WeakPolarHBondContact O-CA 2.95Å; S231-G236 PolarHBondContact O-N 2.89Å; S231-L238 CarbonylContact C-O 3.59Å; S231-L238 WeakPolarHBondContact CA-O 3.46Å
232T96.9Very high97.3Very high90 Ų9028.7 Ų28.755%0.55219%0.188SC*.THydrogen-bonded Turntrans-66.2-17.1172.350.10000114.5L238T232-L238 PolarHBondContact N-O 3.15Å; T232-L238 PolarHBondContact OG1-O 3.5Å
233L96.4Very high97.2Very high78 Ų7829.3 Ų29.341%0.40819%0.19SC..THydrogen-bonded Turntrans-74.5-19.5169-61.5-178.3000112.2R203 S231 P240R203-L233 WeakPolarHBondContact CB-O 3.18Å; S231-L233 PolarHBondContact O-N 3.25Å; S231-L233 PolarHBondContact OG-N 3.07Å; L233-P240 HydrophobicContact CD1-CB 3.65Å; L233-P240 HydrophobicContact CD1-CG 3.86Å; L233-P240 HydrophobicContact CG-CB 4.02Å; L233-P240 HydrophobicContact CG-CG 4.01Å
234G96.6Very high97.1Very high9 Ų931.9 Ų31.99%0.09320%0.203CC..THydrogen-bonded Turntrans-108.3-133.8-176.100000112.6F228 S231F228-G234 CarbonylContact O-C 3.43Å; F228-G234 VanDerWaalsContact O-CA 3.31Å; F228-G234 WeakPolarHBondContact O-CA 3.38Å; S231-G234 CarbonylContact O-C 3.55Å; S231-G234 WeakPolarHBondContact O-CA 3.46Å; S231-G234 PolarHBondContact O-N 3Å
235A95.4Very high97.1Very high18 Ų1835.4 Ų35.415%0.14922%0.219CC..THydrogen-bonded Turntrans-1029.3178.400000113.3F228 E318 R421F228-A235 PolarHBondContact O-N 3.33Å; A235-E318 HydrophobicContact CB-CB 3.75Å; A235-E318 WeakPolarHBondContact CB-O 3.44Å; A235-R421 VanDerWaalsContact O-CZ 3.24Å; A235-R421 PolarHBondContact O-NH1 3.16Å; A235-R421 PolarHBondContact O-NH2 3.36Å
236G95.1Very high97Very high21 Ų2135.2 Ų35.222%0.21622%0.217CC..SBendtrans-114.2-162.4-174.200000114.4Y230 S231Y230-G236 CarbonylContact O-C 3.58Å; Y230-G236 WeakPolarHBondContact O-CA 3.49Å; S231-G236 CarbonylContact O-C 3.38Å; S231-G236 WeakPolarHBondContact O-CA 2.95Å; S231-G236 PolarHBondContact O-N 2.89Å
237S95.2Very high96.9Very high103 Ų10335.2 Ų35.272%0.7222%0.217SC*.SBendtrans-135.21.2-170.464.40000114.3Y230Y230-S237 PolarHBondContact O-N 3.19Å
238L97Very high96.8Very high52 Ų5239.2 Ų39.227%0.27224%0.235SC..BIsolated β-bridgetrans-85.6163.8174.9-58.5-178.2000110.6W226 Y230 S231 T232 F281 V283W226-L238 HydrophobicContact CH2-CB 4.21Å; W226-L238 HydrophobicContact CH2-CD1 3.64Å; W226-L238 HydrophobicContact CZ2-CD1 3.85Å; Y230-L238 WeakPolarHBondContact O-CB 3.39Å; Y230-L238 PolarHBondContact O-N 2.91Å; S231-L238 CarbonylContact C-O 3.59Å; S231-L238 WeakPolarHBondContact CA-O 3.46Å; T232-L238 PolarHBondContact N-O 3.15Å; T232-L238 PolarHBondContact OG1-O 3.5Å; L238-F281 HydrophobicContact CD1-CB 3.97Å; L238-F281 HydrophobicContact CD1-CD1 4.42Å; L238-F281 HydrophobicContact CD1-CG 4.37Å; L238-V283 HydrophobicContact CD1-CG1 3.84Å
239S97.4Very high96.7Very high95 Ų9541.3 Ų41.366%0.66425%0.246SC*.PPolyproline II helixtrans-62.1146.5166.1-59.10000110.4
240P97.8Very high96.6Very high54 Ų5442.4 Ų42.435%0.35125%0.252SS..PPolyproline II helixtrans-67.3137.5169.929.7-34.8000110.2N227 L233N227-P240 WeakPolarHBondContact OD1-CA 3.28Å; L233-P240 HydrophobicContact CD1-CB 3.65Å; L233-P240 HydrophobicContact CD1-CG 3.86Å; L233-P240 HydrophobicContact CG-CB 4.02Å; L233-P240 HydrophobicContact CG-CG 4.01Å
241I98Very high96.4Very high7 Ų744.7 Ų44.74%0.03628%0.278CS..PPolyproline II helixtrans-95.2149.6179.168.3177.2000111.1V223 W226 N227 E245 A246 L277 F281V223-I241 HydrophobicContact CG1-CG1 4.16Å; W226-I241 HydrophobicContact CD2-CD1 3.85Å; W226-I241 HydrophobicContact CD2-CG1 4.46Å; W226-I241 HydrophobicContact CE3-CD1 3.58Å; W226-I241 HydrophobicContact CE3-CG1 3.7Å; W226-I241 HydrophobicContact CE3-CG2 4.22Å; W226-I241 HydrophobicContact CG-CD1 4.33Å; W226-I241 HydrophobicContact CH2-CG2 4.03Å; W226-I241 HydrophobicContact CZ3-CB 4.35Å; W226-I241 HydrophobicContact CZ3-CD1 4.05Å; W226-I241 HydrophobicContact CZ3-CG1 3.98Å; W226-I241 HydrophobicContact CZ3-CG2 3.61Å; N227-I241 PolarHBondContact ND2-O 3.07Å; N227-I241 PolarHBondContact OD1-N 3.15Å; I241-E245 VanDerWaalsContact CA-OE2 3.3Å; I241-E245 WeakPolarHBondContact CA-OE2 3.37Å; I241-E245 WeakPolarHBondContact CB-OE2 3.35Å; I241-A246 HydrophobicContact CD1-CB 4.14Å; I241-L277 HydrophobicContact CD1-CD2 4.37Å; I241-F281 HydrophobicContact CD1-CE2 4.19Å; I241-F281 HydrophobicContact CG2-CE1 4.2Å; I241-F281 HydrophobicContact CG2-CE2 3.85Å; I241-F281 HydrophobicContact CG2-CZ 3.47Å; I241-F281 VanDerWaalsContact CG2-CZ 3.47Å
242S97.1Very high96.2Very high46 Ų4646.6 Ų46.632%0.32229%0.286SS..PPolyproline II helixtrans-86.4172.5174.793.80000112.2E244 E245 A246S242-E244 VanDerWaalsContact C-N 3.33Å; S242-E244 WeakPolarHBondContact CB-OE2 3.34Å; S242-E244 PolarHBondContact OG-N 2.81Å; S242-E244 PolarHBondContact OG-OE2 2.81Å; S242-E245 PolarHBondContact N-OE2 3.24Å; S242-E245 PolarHBondContact OG-N 3.33Å; S242-A246 WeakPolarHBondContact O-CB 3.45Å; S242-A246 PolarHBondContact O-N 3.42Å; S242-A246 VanDerWaalsContact O-N 3.15Å
243Q95.6Very high95.9Very high12 Ų1248.6 Ų48.66%0.05629%0.289CS..Hα-helixtrans-67.9-39.5174-66.8174.883.700110.8S209 P211 S220 A246 L247S209-Q243 WeakPolarHBondContact OG-CG 3.16Å; P211-Q243 PolarHBondContact O-NE2 3.35Å; S220-Q243 PolarHBondContact OG-OE1 3.27Å; Q243-A246 PolarHBondContact O-N 2.88Å; Q243-L247 WeakPolarHBondContact O-CB 3.48Å; Q243-L247 WeakPolarHBondContact O-CG 3.26Å; Q243-L247 PolarHBondContact O-N 3.37Å
244E96.1Very high95.6Very high55 Ų5548.5 Ų48.526%0.25729%0.293SS..Hα-helixtrans-67.9-43.7-178.8-5269.6-144.200110Y213 S242 L247 H248 F256Y213-E244 HydrophobicContact CE2-CG 4.11Å; Y213-E244 VanDerWaalsContact CE2-OE1 3.23Å; Y213-E244 WeakPolarHBondContact CE2-OE1 3.38Å; Y213-E244 WeakPolarHBondContact OH-CG 3.49Å; Y213-E244 PolarHBondContact OH-OE1 2.87Å; S242-E244 VanDerWaalsContact C-N 3.33Å; S242-E244 WeakPolarHBondContact CB-OE2 3.34Å; S242-E244 PolarHBondContact OG-N 2.81Å; S242-E244 PolarHBondContact OG-OE2 2.81Å; E244-L247 PolarHBondContact O-N 2.66Å; E244-H248 PolarHBondContact O-N 2.88Å; E244-H248 PolarHBondContact O-ND1 2.98Å; E244-F256 HydrophobicContact CB-CD2 4.01Å; E244-F256 HydrophobicContact CB-CE2 3.83Å; E244-F256 HydrophobicContact CG-CD2 3.89Å; E244-F256 HydrophobicContact CG-CE2 4.21Å
245E97Very high95.4Very high78 Ų7851.9 Ų51.936%0.36431%0.313SS..Hα-helixtrans-59.8-48.7173.3-175-177178.300111.3I241 S242 L247 H248 I249I241-E245 VanDerWaalsContact CA-OE2 3.3Å; I241-E245 WeakPolarHBondContact CA-OE2 3.37Å; I241-E245 WeakPolarHBondContact CB-OE2 3.35Å; S242-E245 PolarHBondContact N-OE2 3.24Å; S242-E245 PolarHBondContact OG-N 3.33Å; E245-L247 VanDerWaalsContact C-N 3.3Å; E245-L247 PolarHBondContact O-N 3.39Å; E245-H248 PolarHBondContact O-N 3.02Å; E245-I249 HydrophobicContact CG-CD1 3.96Å; E245-I249 WeakPolarHBondContact O-CD1 3.38Å; E245-I249 VanDerWaalsContact O-CG1 3.31Å; E245-I249 WeakPolarHBondContact O-CG1 3.39Å; E245-I249 PolarHBondContact O-N 3.46Å
246A97.1Very high95.2Very high0 Ų051.8 Ų51.80%031%0.31CS..Hα-helixtrans-60.3-39.5176.100000112.1I219 V223 I241 S242 Q243 I249 L250 L277I219-A246 HydrophobicContact CD1-CB 4.25Å; V223-A246 HydrophobicContact CG2-CB 3.43Å; V223-A246 VanDerWaalsContact CG2-CB 3.43Å; I241-A246 HydrophobicContact CD1-CB 4.14Å; S242-A246 WeakPolarHBondContact O-CB 3.45Å; S242-A246 PolarHBondContact O-N 3.42Å; S242-A246 VanDerWaalsContact O-N 3.15Å; Q243-A246 PolarHBondContact O-N 2.88Å; A246-I249 PolarHBondContact O-N 3.34Å; A246-L250 WeakPolarHBondContact O-CB 3.19Å; A246-L250 WeakPolarHBondContact O-CD1 3.33Å; A246-L250 WeakPolarHBondContact O-CG 3.42Å; A246-L250 PolarHBondContact O-N 2.84Å; A246-L277 HydrophobicContact CB-CD2 4.02Å
247L95.7Very high94.9Very high0 Ų057.3 Ų57.30%033%0.33CS..Hα-helixtrans-66-43.5177.4-75.3168.1000112.3I219 Q243 E244 E245 L250 G251 F252 F256 F261I219-L247 HydrophobicContact CG1-CD2 4.08Å; I219-L247 HydrophobicContact CG1-CG 4.29Å; I219-L247 HydrophobicContact CG2-CD2 4.34Å; Q243-L247 WeakPolarHBondContact O-CB 3.48Å; Q243-L247 WeakPolarHBondContact O-CG 3.26Å; Q243-L247 PolarHBondContact O-N 3.37Å; E244-L247 PolarHBondContact O-N 2.66Å; E245-L247 VanDerWaalsContact C-N 3.3Å; E245-L247 PolarHBondContact O-N 3.39Å; L247-L250 CarbonylContact O-C 3.52Å; L247-L250 PolarHBondContact O-N 2.87Å; L247-G251 PolarHBondContact O-N 2.76Å; L247-F252 HydrophobicContact CB-CB 4.15Å; L247-F252 HydrophobicContact CB-CD2 4.47Å; L247-F252 HydrophobicContact CD2-CB 4.29Å; L247-F252 HydrophobicContact CD2-CD2 3.54Å; L247-F252 HydrophobicContact CD2-CE2 4.04Å; L247-F252 HydrophobicContact CD2-CG 3.99Å; L247-F252 WeakPolarHBondContact O-CB 3.32Å; L247-F252 PolarHBondContact O-N 2.65Å; L247-F256 HydrophobicContact CB-CD1 3.8Å; L247-F256 HydrophobicContact CB-CE1 3.64Å; L247-F256 HydrophobicContact CB-CZ 4.4Å; L247-F256 HydrophobicContact CD1-CB 4.14Å; L247-F256 HydrophobicContact CD1-CD1 3.65Å; L247-F256 HydrophobicContact CD1-CE1 4.37Å; L247-F256 HydrophobicContact CD1-CG 3.99Å; L247-F256 HydrophobicContact CG-CD1 4.31Å; L247-F261 HydrophobicContact CD1-CZ 4.24Å; L247-F261 HydrophobicContact CD2-CE1 3.73Å; L247-F261 HydrophobicContact CD2-CZ 3.6Å
248H96.2Very high94.6Very high93 Ų9358.1 Ų58.143%0.43133%0.326SS..Hα-helixtrans-59.4-45.9173.1-72.6104.5000111.9E244 E245 L250 G251 F256E244-H248 PolarHBondContact O-N 2.88Å; E244-H248 PolarHBondContact O-ND1 2.98Å; E245-H248 PolarHBondContact O-N 3.02Å; H248-L250 PolarHBondContact O-N 3.27Å; H248-G251 PolarHBondContact O-N 3.42Å; H248-F256 AromaticContact CD2-CZ 4Å; H248-F256 AromaticContact CE1-CE2 3.53Å; H248-F256 AromaticContact CE1-CZ 3.31Å; H248-F256 WeakPolarHBondContact CE1-CZ 3.11Å; H248-F256 AromaticContact CG-CZ 3.97Å; H248-F256 AromaticContact ND1-CE2 4Å; H248-F256 AromaticContact ND1-CZ 3.52Å; H248-F256 AromaticContact NE2-CZ 3.6Å
249I96.8Very high94.1Very high49 Ų4956.8 Ų56.825%0.25132%0.319SS..Hα-helixtrans-60.8-35.9178.1-67.3161.2000111.4E245 A246 G251 L277 N280 F281E245-I249 HydrophobicContact CG-CD1 3.96Å; E245-I249 WeakPolarHBondContact O-CD1 3.38Å; E245-I249 VanDerWaalsContact O-CG1 3.31Å; E245-I249 WeakPolarHBondContact O-CG1 3.39Å; E245-I249 PolarHBondContact O-N 3.46Å; A246-I249 PolarHBondContact O-N 3.34Å; I249-G251 PolarHBondContact O-N 3.03Å; I249-L277 HydrophobicContact CB-CD2 4.17Å; I249-L277 HydrophobicContact CD1-CD2 4.3Å; I249-L277 HydrophobicContact CG2-CD2 3.93Å; I249-N280 WeakPolarHBondContact CD1-ND2 3.26Å; I249-N280 HydrophobicContact CG2-CB 3.67Å; I249-F281 HydrophobicContact CD1-CE2 3.61Å; I249-F281 HydrophobicContact CD1-CZ 3.63Å
250L95.3Very high93.4Very high23 Ų2360.7 Ų60.712%0.1232%0.324CS..THydrogen-bonded Turntrans-79.51.8176.8-64.7172.6000113.6I219 A246 L247 H248 F252 W273 Q276 L277I219-L250 HydrophobicContact CD1-CD1 3.56Å; A246-L250 WeakPolarHBondContact O-CB 3.19Å; A246-L250 WeakPolarHBondContact O-CD1 3.33Å; A246-L250 WeakPolarHBondContact O-CG 3.42Å; A246-L250 PolarHBondContact O-N 2.84Å; L247-L250 CarbonylContact O-C 3.52Å; L247-L250 PolarHBondContact O-N 2.87Å; H248-L250 PolarHBondContact O-N 3.27Å; L250-F252 HydrophobicContact CB-CD2 3.94Å; L250-F252 HydrophobicContact CB-CE2 4.04Å; L250-W273 HydrophobicContact CD1-CB 3.88Å; L250-W273 HydrophobicContact CD1-CD2 3.72Å; L250-W273 HydrophobicContact CD1-CE3 4.02Å; L250-W273 HydrophobicContact CD1-CG 3.68Å; L250-W273 HydrophobicContact CD2-CB 3.72Å; L250-W273 HydrophobicContact CD2-CG 3.7Å; L250-W273 HydrophobicContact CG-CB 4.47Å; L250-W273 HydrophobicContact CG-CG 4.29Å; L250-Q276 HydrophobicContact CD2-CB 3.84Å; L250-L277 HydrophobicContact CD2-CG 4.43Å; L250-L277 HydrophobicContact CG-CD2 4.39Å
251G93.6Very high92.5Very high55 Ų5558.2 Ų58.257%0.56731%0.308SS*.THydrogen-bonded Turntrans89.46174.700000115.3L247 H248 I249L247-G251 PolarHBondContact O-N 2.76Å; H248-G251 PolarHBondContact O-N 3.42Å; I249-G251 PolarHBondContact O-N 3.03Å
252F93.4Very high91Very high41 Ų4160.2 Ų60.218%0.1833%0.33CS..  trans-75.9147.6173.1-64.3-82.3000111L247 L250 F256 I259 F261 F264 W273L247-F252 HydrophobicContact CB-CB 4.15Å; L247-F252 HydrophobicContact CB-CD2 4.47Å; L247-F252 HydrophobicContact CD2-CB 4.29Å; L247-F252 HydrophobicContact CD2-CD2 3.54Å; L247-F252 HydrophobicContact CD2-CE2 4.04Å; L247-F252 HydrophobicContact CD2-CG 3.99Å; L247-F252 WeakPolarHBondContact O-CB 3.32Å; L247-F252 PolarHBondContact O-N 2.65Å; L250-F252 HydrophobicContact CB-CD2 3.94Å; L250-F252 HydrophobicContact CB-CE2 4.04Å; F252-F256 HydrophobicContact CB-CE1 4.28Å; F252-I259 HydrophobicContact CB-CD1 3.77Å; F252-I259 HydrophobicContact CD1-CD1 3.83Å; F252-I259 HydrophobicContact CD1-CG2 4.03Å; F252-I259 HydrophobicContact CE1-CG2 4.02Å; F252-I259 HydrophobicContact CG-CD1 4.02Å; F252-F261 HydrophobicContact CZ-CE1 4.45Å; F252-F264 HydrophobicContact CE1-CE2 4.17Å; F252-F264 HydrophobicContact CE1-CZ 4.17Å; F252-F264 AromaticContact CZ-CE2 3.98Å; F252-F264 HydrophobicContact CZ-CE2 3.98Å; F252-F264 HydrophobicContact CZ-CZ 4.44Å; F252-W273 HydrophobicContact CE2-CH2 4.1Å; F252-W273 AromaticContact CE2-CZ2 3.71Å; F252-W273 HydrophobicContact CE2-CZ2 3.71Å; F252-W273 HydrophobicContact CZ-CH2 4.02Å; F252-W273 AromaticContact CZ-CZ2 3.65Å; F252-W273 HydrophobicContact CZ-CZ2 3.65Å
253Q91.3Very high89.3Confident132 Ų13264.7 Ų64.762%0.61736%0.358SS*.  trans-111.3151.4176.9-61.6-56.1-49.200110.3
254P90.8Very high87.9Confident75 Ų7568.8 Ų68.849%0.48738%0.376SS..SBendtrans-65.9156.9171.328.9-35.1000111.4F256P254-F256 HydrophobicContact CB-CD2 4.35Å; P254-F256 HydrophobicContact CB-CE2 3.97Å; P254-F256 HydrophobicContact CB-CZ 4.15Å
255P92.1Very high87.1Confident80 Ų8066.8 Ų66.852%0.51937%0.367SS..  cis-75.7130.40.330.4-35.4000113.3E257 D258P255-E257 PolarHBondContact O-N 3.32Å; P255-D258 HydrophobicContact CG-CB 4.31Å; P255-D258 WeakPolarHBondContact CG-OD2 3.38Å; P255-D258 PolarHBondContact O-N 3.15Å
256F90.8Very high86.6Confident16 Ų1664.4 Ų64.47%0.0736%0.363CS..G310 helixtrans-70.2-18.7-177.3-61.7-61.6000114Y213 E244 L247 H248 F252 P254 D258 I259Y213-F256 HydrophobicContact CD2-CB 4.21Å; Y213-F256 HydrophobicContact CE1-CB 4.4Å; Y213-F256 HydrophobicContact CE2-CB 3.77Å; E244-F256 HydrophobicContact CB-CD2 4.01Å; E244-F256 HydrophobicContact CB-CE2 3.83Å; E244-F256 HydrophobicContact CG-CD2 3.89Å; E244-F256 HydrophobicContact CG-CE2 4.21Å; L247-F256 HydrophobicContact CB-CD1 3.8Å; L247-F256 HydrophobicContact CB-CE1 3.64Å; L247-F256 HydrophobicContact CB-CZ 4.4Å; L247-F256 HydrophobicContact CD1-CB 4.14Å; L247-F256 HydrophobicContact CD1-CD1 3.65Å; L247-F256 HydrophobicContact CD1-CE1 4.37Å; L247-F256 HydrophobicContact CD1-CG 3.99Å; L247-F256 HydrophobicContact CG-CD1 4.31Å; H248-F256 AromaticContact CD2-CZ 4Å; H248-F256 AromaticContact CE1-CE2 3.53Å; H248-F256 AromaticContact CE1-CZ 3.31Å; H248-F256 WeakPolarHBondContact CE1-CZ 3.11Å; H248-F256 AromaticContact CG-CZ 3.97Å; H248-F256 AromaticContact ND1-CE2 4Å; H248-F256 AromaticContact ND1-CZ 3.52Å; H248-F256 AromaticContact NE2-CZ 3.6Å; F252-F256 HydrophobicContact CB-CE1 4.28Å; P254-F256 HydrophobicContact CB-CD2 4.35Å; P254-F256 HydrophobicContact CB-CE2 3.97Å; P254-F256 HydrophobicContact CB-CZ 4.15Å; F256-D258 VanDerWaalsContact C-N 3.31Å; F256-D258 PolarHBondContact O-N 3.24Å; F256-I259 HydrophobicContact CB-CD1 4.44Å; F256-I259 HydrophobicContact CD1-CD1 3.64Å; F256-I259 HydrophobicContact CE1-CD1 4.41Å; F256-I259 PolarHBondContact O-N 3.03Å
257E88.9Confident86.4Confident138 Ų13865.4 Ų65.465%0.64537%0.369SS*.G310 helixtrans-69.5-29.1-179.6-59.2-17016500112.9Y213 P255Y213-E257 HydrophobicContact CD1-CG 3.73Å; Y213-E257 HydrophobicContact CE1-CG 3.57Å; P255-E257 PolarHBondContact O-N 3.32Å
258D87.9Confident86.2Confident120 Ų12068 Ų6864%0.64239%0.39SS*.G310 helixtrans-88.7-5.7-177.3-67-35.5000113.5P255 F256 K260P255-D258 HydrophobicContact CG-CB 4.31Å; P255-D258 WeakPolarHBondContact CG-OD2 3.38Å; P255-D258 PolarHBondContact O-N 3.15Å; F256-D258 VanDerWaalsContact C-N 3.31Å; F256-D258 PolarHBondContact O-N 3.24Å; D258-K260 PolarHBondContact O-N 3.43Å
259I86.5Confident86.1Confident23 Ų2364.9 Ų64.912%0.11838%0.378CS..  trans-68.6105.3-179.1-60177.5000110.1F252 F256 F261F252-I259 HydrophobicContact CB-CD1 3.77Å; F252-I259 HydrophobicContact CD1-CD1 3.83Å; F252-I259 HydrophobicContact CD1-CG2 4.03Å; F252-I259 HydrophobicContact CE1-CG2 4.02Å; F252-I259 HydrophobicContact CG-CD1 4.02Å; F256-I259 HydrophobicContact CB-CD1 4.44Å; F256-I259 HydrophobicContact CD1-CD1 3.64Å; F256-I259 HydrophobicContact CE1-CD1 4.41Å; F256-I259 PolarHBondContact O-N 3.03Å; I259-F261 VanDerWaalsContact C-N 3.3Å; I259-F261 HydrophobicContact CB-CD2 4.3Å; I259-F261 HydrophobicContact CB-CE2 3.78Å; I259-F261 HydrophobicContact CB-CZ 4.03Å; I259-F261 HydrophobicContact CD1-CZ 4.47Å; I259-F261 HydrophobicContact CG2-CD1 4.1Å; I259-F261 HydrophobicContact CG2-CD2 3.92Å; I259-F261 HydrophobicContact CG2-CE1 3.84Å; I259-F261 HydrophobicContact CG2-CE2 3.63Å; I259-F261 HydrophobicContact CG2-CG 4.13Å; I259-F261 HydrophobicContact CG2-CZ 3.59Å; I259-F261 WeakPolarHBondContact O-CD2 3.5Å; I259-F261 PolarHBondContact O-N 2.92Å
260K82.9Confident86.1Confident178 Ų17862.6 Ų62.677%0.77437%0.366SS*.  trans-75.878.1173.1-63.2-179.9-176.4176.10110.5D258 G262 F264D258-K260 PolarHBondContact O-N 3.43Å; K260-G262 PolarHBondContact O-N 2.94Å; K260-F264 WeakPolarHBondContact O-CE1 3.46Å
261F78.4Confident86.1Confident2 Ų263 Ų631%0.00937%0.368CS..  trans-50.3-30.5-179.4-73.8-80.2000114.4S216 I219 L247 F252 I259 F264 T265 W273S216-F261 VanDerWaalsContact CB-CE2 3.46Å; I219-F261 HydrophobicContact CG2-CE1 3.92Å; I219-F261 HydrophobicContact CG2-CZ 3.92Å; L247-F261 HydrophobicContact CD1-CZ 4.24Å; L247-F261 HydrophobicContact CD2-CE1 3.73Å; L247-F261 HydrophobicContact CD2-CZ 3.6Å; F252-F261 HydrophobicContact CZ-CE1 4.45Å; I259-F261 VanDerWaalsContact C-N 3.3Å; I259-F261 HydrophobicContact CB-CD2 4.3Å; I259-F261 HydrophobicContact CB-CE2 3.78Å; I259-F261 HydrophobicContact CB-CZ 4.03Å; I259-F261 HydrophobicContact CD1-CZ 4.47Å; I259-F261 HydrophobicContact CG2-CD1 4.1Å; I259-F261 HydrophobicContact CG2-CD2 3.92Å; I259-F261 HydrophobicContact CG2-CE1 3.84Å; I259-F261 HydrophobicContact CG2-CE2 3.63Å; I259-F261 HydrophobicContact CG2-CG 4.13Å; I259-F261 HydrophobicContact CG2-CZ 3.59Å; I259-F261 WeakPolarHBondContact O-CD2 3.5Å; I259-F261 PolarHBondContact O-N 2.92Å; F261-F264 HydrophobicContact CD1-CE2 4.49Å; F261-F264 WeakPolarHBondContact O-CD1 3.03Å; F261-F264 WeakPolarHBondContact O-CE1 3.36Å; F261-F264 WeakPolarHBondContact O-CZ 3.39Å; F261-T265 HydrophobicContact CD1-CG2 4.37Å; F261-T265 WeakPolarHBondContact O-CB 3.15Å; F261-T265 PolarHBondContact O-N 2.97Å; F261-T265 PolarHBondContact O-OG1 3.47Å; F261-W273 HydrophobicContact CD1-CH2 4.12Å; F261-W273 HydrophobicContact CE1-CH2 4.28Å
262G66.9Low86.2Confident48 Ų4867.4 Ų67.450%0.49537%0.367SS..THydrogen-bonded Turntrans53.6-154.4153.700000116.4K260 F264K260-G262 PolarHBondContact O-N 2.94Å; G262-F264 VanDerWaalsContact C-N 3.28Å; G262-F264 PolarHBondContact O-N 3.23Å
263P61.6Low86.4Confident141 Ų14166.2 Ų66.292%0.91636%0.362SS*.THydrogen-bonded Turntrans-75.7-10.1-179.829.7-34.3000114.1
264F67.6Low86.7Confident97 Ų9760 Ų6043%0.42533%0.332SS..THydrogen-bonded Turntrans-80.4-21.4178.967.8-103.9000113.3F252 K260 F261 G262 G266 T269 W273F252-F264 HydrophobicContact CE1-CE2 4.17Å; F252-F264 HydrophobicContact CE1-CZ 4.17Å; F252-F264 AromaticContact CZ-CE2 3.98Å; F252-F264 HydrophobicContact CZ-CE2 3.98Å; F252-F264 HydrophobicContact CZ-CZ 4.44Å; K260-F264 WeakPolarHBondContact O-CE1 3.46Å; F261-F264 HydrophobicContact CD1-CE2 4.49Å; F261-F264 WeakPolarHBondContact O-CD1 3.03Å; F261-F264 WeakPolarHBondContact O-CE1 3.36Å; F261-F264 WeakPolarHBondContact O-CZ 3.39Å; G262-F264 VanDerWaalsContact C-N 3.28Å; G262-F264 PolarHBondContact O-N 3.23Å; F264-G266 VanDerWaalsContact C-N 3.3Å; F264-G266 PolarHBondContact O-N 2.9Å; F264-G266 VanDerWaalsContact O-N 3.08Å; F264-T269 WeakPolarHBondContact O-CB 3.44Å; F264-T269 PolarHBondContact O-OG1 3.24Å; F264-W273 HydrophobicContact CE2-CH2 4.35Å; F264-W273 HydrophobicContact CE2-CZ2 4.35Å
265T77.5Confident87Confident14 Ų1463.2 Ų63.29%0.08634%0.335CS..  trans-88.761-178-51.50000112.1F261 L270 W273 Y330F261-T265 HydrophobicContact CD1-CG2 4.37Å; F261-T265 WeakPolarHBondContact O-CB 3.15Å; F261-T265 PolarHBondContact O-N 2.97Å; F261-T265 PolarHBondContact O-OG1 3.47Å; T265-L270 HydrophobicContact CG2-CD2 4.04Å; T265-W273 HydrophobicContact CG2-CH2 3.65Å; T265-W273 HydrophobicContact CG2-CZ3 3.58Å; T265-Y330 PolarHBondContact O-OH 3.09Å
266G87.6Confident87.3Confident27 Ų2763.5 Ų63.528%0.27833%0.329SS..  trans-89.9171.417500000114F264 A268 T269 L270 Y330F264-G266 VanDerWaalsContact C-N 3.3Å; F264-G266 PolarHBondContact O-N 2.9Å; F264-G266 VanDerWaalsContact O-N 3.08Å; G266-A268 VanDerWaalsContact C-N 3.26Å; G266-A268 PolarHBondContact O-N 2.75Å; G266-A268 VanDerWaalsContact O-N 3.12Å; G266-T269 WeakPolarHBondContact O-CA 3.5Å; G266-T269 VanDerWaalsContact O-CB 3.22Å; G266-T269 WeakPolarHBondContact O-CB 3.46Å; G266-T269 PolarHBondContact O-N 2.75Å; G266-L270 PolarHBondContact O-N 3.26Å; G266-L270 VanDerWaalsContact O-N 3.09Å; G266-Y330 WeakPolarHBondContact CA-OH 3.24Å
267N92.3Very high87.6Confident21 Ų2162.7 Ų62.711%0.11233%0.326CS..Hα-helixtrans-46.4-44.8179.1-51.7-3.5000113.6T269 L270 M271 H325 Y330 L413 C415 M417N267-T269 VanDerWaalsContact C-N 3.31Å; N267-T269 PolarHBondContact O-N 2.85Å; N267-L270 PolarHBondContact O-N 2.85Å; N267-M271 WeakPolarHBondContact O-CG 3.41Å; N267-M271 PolarHBondContact O-N 3.21Å; N267-H325 PolarHBondContact OD1-ND1 3.19Å; N267-H325 VanDerWaalsContact OD1-ND1 3.09Å; N267-Y330 PolarHBondContact N-OH 2.72Å; N267-L413 PolarHBondContact ND2-O 3.49Å; N267-C415 PolarHBondContact ND2-SG 3.44Å; N267-M417 HydrophobicContact CB-CE 4.34Å; N267-M417 HydrophobicContact CB-SD 3.7Å
268A92.4Very high88Confident54 Ų5456.2 Ų56.245%0.44630%0.296SS..Hα-helixtrans-68.4-29.5179.500000113.1G266 R272G266-A268 VanDerWaalsContact C-N 3.26Å; G266-A268 PolarHBondContact O-N 2.75Å; G266-A268 VanDerWaalsContact O-N 3.12Å; A268-R272 WeakPolarHBondContact O-CB 3.23Å; A268-R272 PolarHBondContact O-N 3.11Å; A268-R272 VanDerWaalsContact O-N 3.09Å
269T94Very high88.4Confident29 Ų2954.5 Ų54.518%0.17829%0.286CS..Hα-helixtrans-70.2-44.4173.8-52.40000110.1F264 G266 N267 M271 R272 W273F264-T269 WeakPolarHBondContact O-CB 3.44Å; F264-T269 PolarHBondContact O-OG1 3.24Å; G266-T269 WeakPolarHBondContact O-CA 3.5Å; G266-T269 VanDerWaalsContact O-CB 3.22Å; G266-T269 WeakPolarHBondContact O-CB 3.46Å; G266-T269 PolarHBondContact O-N 2.75Å; N267-T269 VanDerWaalsContact C-N 3.31Å; N267-T269 PolarHBondContact O-N 2.85Å; T269-M271 PolarHBondContact O-N 3.25Å; T269-R272 CarbonylContact O-C 3.54Å; T269-R272 WeakPolarHBondContact O-CA 3.42Å; T269-R272 WeakPolarHBondContact O-CB 3.46Å; T269-R272 PolarHBondContact O-N 2.93Å; T269-R272 VanDerWaalsContact O-N 3.09Å; T269-W273 HydrophobicContact CG2-CD2 3.94Å; T269-W273 VanDerWaalsContact CG2-CE2 3.43Å; T269-W273 HydrophobicContact CG2-CG 4.43Å; T269-W273 HydrophobicContact CG2-CH2 4.15Å; T269-W273 HydrophobicContact CG2-CZ2 3.54Å; T269-W273 PolarHBondContact O-N 2.98Å
270L95.2Very high89Confident0 Ų057.3 Ų57.30%030%0.302CS..Hα-helixtrans-61.6-42.7174.8-61.4-175.8000112.6G218 T265 G266 N267 R272 W273 F274 Y330 M417G218-L270 WeakPolarHBondContact O-CD2 3.46Å; T265-L270 HydrophobicContact CG2-CD2 4.04Å; G266-L270 PolarHBondContact O-N 3.26Å; G266-L270 VanDerWaalsContact O-N 3.09Å; N267-L270 PolarHBondContact O-N 2.85Å; L270-R272 VanDerWaalsContact C-N 3.26Å; L270-R272 PolarHBondContact O-N 3Å; L270-W273 HydrophobicContact CD2-CE3 3.64Å; L270-W273 HydrophobicContact CD2-CZ3 3.84Å; L270-W273 PolarHBondContact O-N 3.14Å; L270-F274 PolarHBondContact O-N 2.91Å; L270-Y330 HydrophobicContact CD1-CD1 3.63Å; L270-Y330 HydrophobicContact CD1-CD2 4.47Å; L270-Y330 HydrophobicContact CD1-CE1 3.36Å; L270-Y330 HydrophobicContact CD1-CE2 4.24Å; L270-Y330 HydrophobicContact CD1-CG 4.18Å; L270-M417 HydrophobicContact CD1-CE 4.26Å
271M95.9Very high89.6Confident32 Ų3251.3 Ų51.316%0.15828%0.276CS..Hα-helixtrans-63.7-30.3174.1-70.3-172.5-70.100112.9N267 T269 S287 I289 M417N267-M271 WeakPolarHBondContact O-CG 3.41Å; N267-M271 PolarHBondContact O-N 3.21Å; T269-M271 PolarHBondContact O-N 3.25Å; M271-S287 WeakPolarHBondContact CB-OG 3.41Å; M271-S287 PolarHBondContact O-OG 3.01Å; M271-I289 HydrophobicContact CE-CD1 4.32Å; M271-I289 HydrophobicContact CE-CG1 4.17Å; M271-I289 HydrophobicContact SD-CG1 4.38Å; M271-M417 HydrophobicContact CG-SD 4.27Å
272R96.1Very high90.5Very high147 Ų14762.2 Ų62.256%0.55532%0.317SS*.Hα-helixtrans-74.4-45.4173.3-174.8-171.6-60.9169.50.2111.8A268 T269 L270 F274 R275 Q276A268-R272 WeakPolarHBondContact O-CB 3.23Å; A268-R272 PolarHBondContact O-N 3.11Å; A268-R272 VanDerWaalsContact O-N 3.09Å; T269-R272 CarbonylContact O-C 3.54Å; T269-R272 WeakPolarHBondContact O-CA 3.42Å; T269-R272 WeakPolarHBondContact O-CB 3.46Å; T269-R272 PolarHBondContact O-N 2.93Å; T269-R272 VanDerWaalsContact O-N 3.09Å; L270-R272 VanDerWaalsContact C-N 3.26Å; L270-R272 PolarHBondContact O-N 3Å; R272-F274 VanDerWaalsContact C-N 3.31Å; R272-F274 PolarHBondContact O-N 3.49Å; R272-R275 WeakPolarHBondContact O-CB 3.4Å; R272-R275 PolarHBondContact O-N 3.16Å; R272-Q276 PolarHBondContact O-N 3.36Å
273W97.3Very high91.8Very high17 Ų1761.3 Ų61.36%0.06430%0.302CS..Hα-helixtrans-61.5-38.4177-70.7-11.4000111.7I219 L222 L250 F252 F261 F264 T265 T269 L270 R275 Q276 L277I219-W273 HydrophobicContact CB-CZ3 4.14Å; I219-W273 HydrophobicContact CD1-CE3 4.15Å; L222-W273 HydrophobicContact CD2-CB 3.43Å; L222-W273 VanDerWaalsContact CD2-CB 3.43Å; L222-W273 HydrophobicContact CD2-CE3 4.35Å; L250-W273 HydrophobicContact CD1-CB 3.88Å; L250-W273 HydrophobicContact CD1-CD2 3.72Å; L250-W273 HydrophobicContact CD1-CE3 4.02Å; L250-W273 HydrophobicContact CD1-CG 3.68Å; L250-W273 HydrophobicContact CD2-CB 3.72Å; L250-W273 HydrophobicContact CD2-CG 3.7Å; L250-W273 HydrophobicContact CG-CB 4.47Å; L250-W273 HydrophobicContact CG-CG 4.29Å; F252-W273 HydrophobicContact CE2-CH2 4.1Å; F252-W273 AromaticContact CE2-CZ2 3.71Å; F252-W273 HydrophobicContact CE2-CZ2 3.71Å; F252-W273 HydrophobicContact CZ-CH2 4.02Å; F252-W273 AromaticContact CZ-CZ2 3.65Å; F252-W273 HydrophobicContact CZ-CZ2 3.65Å; F261-W273 HydrophobicContact CD1-CH2 4.12Å; F261-W273 HydrophobicContact CE1-CH2 4.28Å; F264-W273 HydrophobicContact CE2-CH2 4.35Å; F264-W273 HydrophobicContact CE2-CZ2 4.35Å; T265-W273 HydrophobicContact CG2-CH2 3.65Å; T265-W273 HydrophobicContact CG2-CZ3 3.58Å; T269-W273 HydrophobicContact CG2-CD2 3.94Å; T269-W273 VanDerWaalsContact CG2-CE2 3.43Å; T269-W273 HydrophobicContact CG2-CG 4.43Å; T269-W273 HydrophobicContact CG2-CH2 4.15Å; T269-W273 HydrophobicContact CG2-CZ2 3.54Å; T269-W273 PolarHBondContact O-N 2.98Å; L270-W273 HydrophobicContact CD2-CE3 3.64Å; L270-W273 HydrophobicContact CD2-CZ3 3.84Å; L270-W273 PolarHBondContact O-N 3.14Å; W273-R275 VanDerWaalsContact C-N 3.27Å; W273-R275 PolarHBondContact O-N 3.48Å; W273-Q276 VanDerWaalsContact CD1-OE1 3.3Å; W273-Q276 PolarHBondContact O-N 3.05Å; W273-Q276 VanDerWaalsContact O-N 3.15Å; W273-L277 WeakPolarHBondContact O-CG 3.11Å; W273-L277 PolarHBondContact O-N 3.41Å
274F98.1Very high93.4Very high1 Ų160.8 Ų60.80%0.00428%0.281CS..Hα-helixtrans-55.2-43.6171-175-117.9000112.3L222 L229 Y230 L270 R272 N278 C286 F419L222-F274 HydrophobicContact CD1-CB 3.69Å; L222-F274 HydrophobicContact CD1-CD2 3.82Å; L222-F274 HydrophobicContact CD1-CG 4.19Å; L229-F274 HydrophobicContact CD1-CE2 4Å; L229-F274 HydrophobicContact CD1-CZ 3.76Å; Y230-F274 AromaticContact CE2-CE2 3.93Å; Y230-F274 HydrophobicContact CE2-CE2 3.93Å; Y230-F274 AromaticContact CE2-CZ 3.9Å; Y230-F274 HydrophobicContact CE2-CZ 3.9Å; L270-F274 PolarHBondContact O-N 2.91Å; R272-F274 VanDerWaalsContact C-N 3.31Å; R272-F274 PolarHBondContact O-N 3.49Å; F274-N278 WeakPolarHBondContact CD1-ND2 3.36Å; F274-N278 WeakPolarHBondContact CE1-ND2 3.48Å; F274-N278 VanDerWaalsContact CZ-ND2 3.32Å; F274-N278 WeakPolarHBondContact CZ-ND2 3.23Å; F274-N278 WeakPolarHBondContact O-CB 3.17Å; F274-N278 PolarHBondContact O-N 3.49Å; F274-N278 PolarHBondContact O-ND2 2.75Å; F274-N278 PolarHBondContact O-OD1 2.96Å; F274-C286 WeakPolarHBondContact CE1-O 3.38Å; F274-F419 HydrophobicContact CB-CD1 3.95Å; F274-F419 HydrophobicContact CB-CE1 3.9Å; F274-F419 AromaticContact CD1-CD1 3.74Å; F274-F419 HydrophobicContact CD1-CD1 3.74Å; F274-F419 HydrophobicContact CD1-CE1 4.46Å; F274-F419 AromaticContact CD2-CD1 3.78Å; F274-F419 HydrophobicContact CD2-CD1 3.78Å; F274-F419 HydrophobicContact CD2-CE1 4.45Å; F274-F419 HydrophobicContact CE1-CB 4.29Å; F274-F419 HydrophobicContact CE1-CD1 4.1Å; F274-F419 HydrophobicContact CE2-CB 4.28Å; F274-F419 HydrophobicContact CE2-CD1 4.16Å; F274-F419 AromaticContact CG-CD1 3.55Å; F274-F419 HydrophobicContact CG-CD1 3.55Å; F274-F419 HydrophobicContact CG-CE1 4.04Å; F274-F419 HydrophobicContact CZ-CB 4.04Å; F274-F419 HydrophobicContact CZ-CD1 4.3Å
275R97Very high94.7Very high142 Ų14257.4 Ų57.454%0.53627%0.274SS..Hα-helixtrans-65-44.9176.2-171.1-177.3-62.9106.23.4111.4R272 W273 L277 N278 D279R272-R275 WeakPolarHBondContact O-CB 3.4Å; R272-R275 PolarHBondContact O-N 3.16Å; W273-R275 VanDerWaalsContact C-N 3.27Å; W273-R275 PolarHBondContact O-N 3.48Å; R275-L277 PolarHBondContact O-N 2.88Å; R275-N278 PolarHBondContact O-N 2.98Å; R275-D279 WeakPolarHBondContact CG-OD2 3.45Å; R275-D279 WeakPolarHBondContact O-CB 3.48Å; R275-D279 VanDerWaalsContact O-CG 3.28Å; R275-D279 PolarHBondContact O-N 2.81Å
276Q97.5Very high95.5Very high86 Ų8659.1 Ų59.140%0.40229%0.286SS..Hα-helixtrans-62.7-42179-71.9175.9-45.500112.7L250 R272 W273 D279 N280L250-Q276 HydrophobicContact CD2-CB 3.84Å; R272-Q276 PolarHBondContact O-N 3.36Å; W273-Q276 VanDerWaalsContact CD1-OE1 3.3Å; W273-Q276 PolarHBondContact O-N 3.05Å; W273-Q276 VanDerWaalsContact O-N 3.15Å; Q276-D279 PolarHBondContact O-N 3.4Å; Q276-N280 WeakPolarHBondContact O-CB 3.41Å; Q276-N280 PolarHBondContact O-N 3.45Å
277L98Very high96Very high0 Ų059 Ų590%028%0.28CS..Hα-helixtrans-61.8-46.2172-66.1172.3000110.8L222 I241 A246 I249 L250 W273 R275 D279 N280 F281L222-L277 HydrophobicContact CD2-CD1 4.14Å; L222-L277 HydrophobicContact CG-CD1 4.21Å; I241-L277 HydrophobicContact CD1-CD2 4.37Å; A246-L277 HydrophobicContact CB-CD2 4.02Å; I249-L277 HydrophobicContact CB-CD2 4.17Å; I249-L277 HydrophobicContact CD1-CD2 4.3Å; I249-L277 HydrophobicContact CG2-CD2 3.93Å; L250-L277 HydrophobicContact CD2-CG 4.43Å; L250-L277 HydrophobicContact CG-CD2 4.39Å; W273-L277 WeakPolarHBondContact O-CG 3.11Å; W273-L277 PolarHBondContact O-N 3.41Å; R275-L277 PolarHBondContact O-N 2.88Å; L277-D279 PolarHBondContact O-N 3.06Å; L277-N280 WeakPolarHBondContact O-CB 3.42Å; L277-N280 PolarHBondContact O-N 3.04Å; L277-F281 VanDerWaalsContact O-CD2 3.23Å; L277-F281 WeakPolarHBondContact O-CD2 3.5Å; L277-F281 PolarHBondContact O-N 3.45Å
278N97.5Very high96.2Very high2 Ų262.4 Ų62.41%0.01129%0.293CS..Hα-helixtrans-61.3-42.8178.2-68.8-13.7000112.5W226 Y230 F274 R275 F281 R282 V283W226-N278 VanDerWaalsContact CD1-OD1 3.26Å; W226-N278 PolarHBondContact NE1-OD1 2.87Å; Y230-N278 WeakPolarHBondContact CE2-OD1 3.45Å; F274-N278 WeakPolarHBondContact CD1-ND2 3.36Å; F274-N278 WeakPolarHBondContact CE1-ND2 3.48Å; F274-N278 VanDerWaalsContact CZ-ND2 3.32Å; F274-N278 WeakPolarHBondContact CZ-ND2 3.23Å; F274-N278 WeakPolarHBondContact O-CB 3.17Å; F274-N278 PolarHBondContact O-N 3.49Å; F274-N278 PolarHBondContact O-ND2 2.75Å; F274-N278 PolarHBondContact O-OD1 2.96Å; R275-N278 PolarHBondContact O-N 2.98Å; N278-F281 CarbonylContact O-C 3.58Å; N278-F281 PolarHBondContact O-N 2.92Å; N278-R282 CarbonylContact O-C 3.54Å; N278-R282 WeakPolarHBondContact O-CA 3.38Å; N278-R282 PolarHBondContact O-N 2.82Å; N278-V283 HydrophobicContact CB-CG2 3.86Å; N278-V283 PolarHBondContact O-N 3.09Å
279D96.9Very high96.4Very high83 Ų8361.1 Ų61.144%0.44428%0.278SS..Hα-helixtrans-65.7-39.7177.7-69.6-31.5000111.4R275 Q276 L277 R282 R284R275-D279 WeakPolarHBondContact CG-OD2 3.45Å; R275-D279 WeakPolarHBondContact O-CB 3.48Å; R275-D279 VanDerWaalsContact O-CG 3.28Å; R275-D279 PolarHBondContact O-N 2.81Å; Q276-D279 PolarHBondContact O-N 3.4Å; L277-D279 PolarHBondContact O-N 3.06Å; D279-R282 PolarHBondContact O-N 3.33Å; D279-R284 IonicContact OD1-NH1 3.81Å
280N97.6Very high96.6Very high83 Ų8359.9 Ų59.944%0.44427%0.27SS..Hα-helixtrans-58.8-49.9174-179.477.7000112.1I249 Q276 L277 R282I249-N280 WeakPolarHBondContact CD1-ND2 3.26Å; I249-N280 HydrophobicContact CG2-CB 3.67Å; Q276-N280 WeakPolarHBondContact O-CB 3.41Å; Q276-N280 PolarHBondContact O-N 3.45Å; L277-N280 WeakPolarHBondContact O-CB 3.42Å; L277-N280 PolarHBondContact O-N 3.04Å; N280-R282 PolarHBondContact O-N 3.09Å
281F96.8Very high96.7Very high52 Ų5260.2 Ų60.223%0.22827%0.271CS..THydrogen-bonded Turntrans-82.34.4178.3-67.9-71.2000114W226 L238 I241 I249 L277 N278 V283W226-F281 AromaticContact CE2-CD2 3.92Å; W226-F281 HydrophobicContact CH2-CB 4.45Å; W226-F281 HydrophobicContact CH2-CD1 4.32Å; W226-F281 AromaticContact CH2-CD2 3.78Å; W226-F281 HydrophobicContact CH2-CD2 3.78Å; W226-F281 HydrophobicContact CH2-CE2 4.11Å; W226-F281 AromaticContact CH2-CG 3.92Å; W226-F281 HydrophobicContact CH2-CG 3.92Å; W226-F281 HydrophobicContact CZ2-CB 3.78Å; W226-F281 HydrophobicContact CZ2-CD1 4.39Å; W226-F281 AromaticContact CZ2-CD2 3.29Å; W226-F281 HydrophobicContact CZ2-CD2 3.29Å; W226-F281 AromaticContact CZ2-CE2 3.98Å; W226-F281 HydrophobicContact CZ2-CE2 3.98Å; W226-F281 AromaticContact CZ2-CG 3.55Å; W226-F281 HydrophobicContact CZ2-CG 3.55Å; L238-F281 HydrophobicContact CD1-CB 3.97Å; L238-F281 HydrophobicContact CD1-CD1 4.42Å; L238-F281 HydrophobicContact CD1-CG 4.37Å; I241-F281 HydrophobicContact CD1-CE2 4.19Å; I241-F281 HydrophobicContact CG2-CE1 4.2Å; I241-F281 HydrophobicContact CG2-CE2 3.85Å; I241-F281 HydrophobicContact CG2-CZ 3.47Å; I241-F281 VanDerWaalsContact CG2-CZ 3.47Å; I249-F281 HydrophobicContact CD1-CE2 3.61Å; I249-F281 HydrophobicContact CD1-CZ 3.63Å; L277-F281 VanDerWaalsContact O-CD2 3.23Å; L277-F281 WeakPolarHBondContact O-CD2 3.5Å; L277-F281 PolarHBondContact O-N 3.45Å; N278-F281 CarbonylContact O-C 3.58Å; N278-F281 PolarHBondContact O-N 2.92Å; F281-V283 HydrophobicContact CB-CG2 4.31Å; F281-V283 PolarHBondContact O-N 3.37Å
282R95.8Very high96.7Very high231 Ų23159 Ų5987%0.87227%0.266SS*.THydrogen-bonded Turntrans56.526.1-179.8-51.5-179.6-177.8-176.30.7114.4N278 D279 N280N278-R282 CarbonylContact O-C 3.54Å; N278-R282 WeakPolarHBondContact O-CA 3.38Å; N278-R282 PolarHBondContact O-N 2.82Å; D279-R282 PolarHBondContact O-N 3.33Å; N280-R282 PolarHBondContact O-N 3.09Å
283V95.5Very high96.6Very high29 Ų2953.1 Ų53.118%0.17625%0.246CC..  trans-95162.2175.9-64.50000111.3Y230 L238 N278 F281Y230-V283 HydrophobicContact CD1-CB 3.83Å; Y230-V283 HydrophobicContact CD1-CG1 3.96Å; Y230-V283 HydrophobicContact CD1-CG2 3.81Å; Y230-V283 HydrophobicContact CD2-CG2 4.28Å; Y230-V283 HydrophobicContact CE1-CB 3.68Å; Y230-V283 HydrophobicContact CE1-CG1 4.31Å; Y230-V283 HydrophobicContact CE1-CG2 3.68Å; Y230-V283 HydrophobicContact CE2-CG2 4.15Å; Y230-V283 HydrophobicContact CG-CG2 4.11Å; L238-V283 HydrophobicContact CD1-CG1 3.84Å; N278-V283 HydrophobicContact CB-CG2 3.86Å; N278-V283 PolarHBondContact O-N 3.09Å; F281-V283 HydrophobicContact CB-CG2 4.31Å; F281-V283 PolarHBondContact O-N 3.37Å
284R93.9Very high96.4Very high129 Ų12954.8 Ų54.849%0.48726%0.255SS..  trans-114.7133178.8-66.9-56.8-164.6-164.21.9111.5Y230 D279 V422 W424Y230-R284 PolarHBondContact OH-O 2.96Å; D279-R284 IonicContact OD1-NH1 3.81Å; R284-V422 HydrophobicContact CB-CB 4.42Å; R284-V422 PolarHBondContact O-N 3.2Å; R284-W424 HydrophobicContact CG-CE3 4.36Å; R284-W424 HydrophobicContact CG-CZ3 4.43Å
285G95.4Very high95.9Very high26 Ų2656.4 Ų56.427%0.26827%0.271SS..EExtended strand (participates in β ladder)trans-164.5162.3174.400000112.2Y230 Q420Y230-G285 WeakPolarHBondContact OH-CA 3.24Å; G285-Q420 CarbonylContact C-O 3.58Å; G285-Q420 WeakPolarHBondContact CA-O 3.34Å
286C95.5Very high95.4Very high50 Ų5057.5 Ų57.534%0.33828%0.28SS..EExtended strand (participates in β ladder)trans-121162174.868.90000110.7F274 Q420F274-C286 WeakPolarHBondContact CE1-O 3.38Å; C286-Q420 PolarHBondContact N-O 3.04Å; C286-Q420 PolarHBondContact O-N 3.43Å
287S97.3Very high95Very high24 Ų2458.9 Ų58.917%0.16829%0.286CS..EExtended strand (participates in β ladder)trans-141143.2173.155.30000110M271 A418M271-S287 WeakPolarHBondContact CB-OG 3.41Å; M271-S287 PolarHBondContact O-OG 3.01Å; S287-A418 VanDerWaalsContact CA-O 3.24Å; S287-A418 WeakPolarHBondContact CA-O 3.39Å
288Y96.6Very high94.7Very high94 Ų9465.5 Ų65.537%0.36932%0.315SS..EExtended strand (participates in β ladder)trans-153.7163-176.563.1-84.8000111.1L290 M320 M417 A418Y288-L290 HydrophobicContact CE2-CD1 3.95Å; Y288-L290 PolarHBondContact O-N 2.81Å; Y288-M320 WeakPolarHBondContact OH-CE 3.3Å; Y288-M417 CarbonylContact O-C 3.42Å; Y288-M417 WeakPolarHBondContact O-CA 3.23Å; Y288-A418 HydrophobicContact CD1-CB 4.19Å; Y288-A418 HydrophobicContact CD2-CB 4.33Å; Y288-A418 HydrophobicContact CE1-CB 3.74Å; Y288-A418 HydrophobicContact CE2-CB 3.92Å; Y288-A418 HydrophobicContact CG-CB 4.47Å; Y288-A418 PolarHBondContact N-O 2.84Å; Y288-A418 PolarHBondContact O-N 2.82Å
289I97.3Very high94.5Very high26 Ų2666.7 Ų66.713%0.13332%0.322CS..EExtended strand (participates in β ladder)trans-83.2116.3172-65170.2000107.5M271 K292 H297 T299 C415 M417M271-I289 HydrophobicContact CE-CD1 4.32Å; M271-I289 HydrophobicContact CE-CG1 4.17Å; M271-I289 HydrophobicContact SD-CG1 4.38Å; I289-K292 HydrophobicContact CG2-CB 3.63Å; I289-H297 HydrophobicContact CD1-CB 3.61Å; I289-T299 HydrophobicContact CB-CG2 4.4Å; I289-T299 HydrophobicContact CG2-CG2 3.82Å; I289-T299 WeakPolarHBondContact O-CG2 3.26Å; I289-C415 HydrophobicContact CG2-CB 3.93Å; I289-M417 HydrophobicContact CG1-CG 4.22Å
290L97.1Very high94.1Very high3 Ų367.1 Ų67.12%0.01634%0.337CS..EExtended strand (participates in β ladder)trans-73.1-47178.3-176.974.6000111.1Y288 K310 L311 Y322 I416 A418Y288-L290 HydrophobicContact CE2-CD1 3.95Å; Y288-L290 PolarHBondContact O-N 2.81Å; L290-K310 HydrophobicContact CD1-CB 3.81Å; L290-K310 HydrophobicContact CD1-CD 4.27Å; L290-L311 HydrophobicContact CD2-CB 4.02Å; L290-L311 HydrophobicContact CD2-CD1 4.47Å; L290-Y322 HydrophobicContact CD2-CD1 4.24Å; L290-Y322 HydrophobicContact CD2-CE1 3.8Å; L290-I416 HydrophobicContact CB-CB 4.43Å; L290-I416 HydrophobicContact CB-CG2 4.19Å; L290-I416 WeakPolarHBondContact CB-O 3.47Å; L290-I416 HydrophobicContact CD2-CG2 3.9Å; L290-I416 PolarHBondContact N-O 2.83Å; L290-A418 HydrophobicContact CB-CB 4.29Å
291Y97.5Very high93.8Very high7 Ų767.1 Ų67.13%0.02736%0.357CS..EExtended strand (participates in β ladder)trans-146.9121.8-175.8-174-132.5000111.1P293 E302 A307 W377 V381 L384 N385 C415 I416Y291-P293 HydrophobicContact CE1-CG 4.12Å; Y291-P293 HydrophobicContact CE2-CG 3.89Å; Y291-E302 HydrophobicContact CD2-CB 4.37Å; Y291-E302 HydrophobicContact CD2-CG 3.94Å; Y291-A307 HydrophobicContact CD1-CB 3.86Å; Y291-A307 HydrophobicContact CD2-CB 3.58Å; Y291-A307 HydrophobicContact CE1-CB 4.43Å; Y291-A307 HydrophobicContact CE2-CB 4.16Å; Y291-A307 HydrophobicContact CG-CB 3.42Å; Y291-A307 VanDerWaalsContact CG-CB 3.42Å; Y291-W377 HydrophobicContact CD1-CH2 4.13Å; Y291-W377 HydrophobicContact CD1-CZ2 4.39Å; Y291-W377 HydrophobicContact CE1-CH2 4.47Å; Y291-W377 HydrophobicContact CE1-CZ2 4.35Å; Y291-V381 HydrophobicContact CE1-CG2 4.47Å; Y291-L384 HydrophobicContact CD1-CD1 3.39Å; Y291-L384 HydrophobicContact CE1-CB 4.29Å; Y291-L384 HydrophobicContact CE1-CD1 3.71Å; Y291-L384 HydrophobicContact CG-CD1 4.45Å; Y291-N385 PolarHBondContact OH-ND2 3.28Å; Y291-C415 WeakPolarHBondContact O-CA 3.22Å; Y291-C415 WeakPolarHBondContact O-CB 3.37Å; Y291-I416 PolarHBondContact N-O 2.86Å; Y291-I416 PolarHBondContact O-N 3.11Å
292K96.2Very high93.7Very high8 Ų866.9 Ų66.94%0.03536%0.356CS..  trans-154.8100.8173.4-175.1170.8-168.4175.40110.4I289 H294 K296 K298 T299 N412 C415I289-K292 HydrophobicContact CG2-CB 3.63Å; K292-H294 WeakPolarHBondContact CE-O 3.22Å; K292-H294 WeakPolarHBondContact CG-O 3.46Å; K292-H294 PolarHBondContact O-N 2.77Å; K292-K296 WeakPolarHBondContact CD-O 3.45Å; K292-K296 WeakPolarHBondContact CE-O 3.31Å; K292-K296 PolarHBondContact NZ-O 2.82Å; K292-K298 CarbonylContact O-C 2.98Å; K292-K298 WeakPolarHBondContact O-CA 3.45Å; K292-K298 WeakPolarHBondContact O-CB 3.41Å; K292-T299 HydrophobicContact CB-CG2 4.42Å; K292-T299 PolarHBondContact N-OG1 2.76Å; K292-T299 PolarHBondContact O-N 3.11Å; K292-T299 PolarHBondContact O-OG1 3.43Å; K292-N412 WeakPolarHBondContact CE-O 3.2Å; K292-N412 PolarHBondContact NZ-O 3.41Å; K292-N412 VanDerWaalsContact NZ-O 3.08Å; K292-C415 HydrophobicContact CB-CB 3.92Å; K292-C415 HydrophobicContact CD-CB 4.05Å; K292-C415 HydrophobicContact CG-CB 4.17Å
293P94Very high93.7Very high22 Ų2259.3 Ų59.314%0.14334%0.336CS..  trans-63.3-38.1-178.4-25.735.3000114.5Y291 L384 N385Y291-P293 HydrophobicContact CE1-CG 4.12Å; Y291-P293 HydrophobicContact CE2-CG 3.89Å; P293-L384 HydrophobicContact CG-CB 4.19Å; P293-N385 VanDerWaalsContact CB-OD1 3.23Å; P293-N385 WeakPolarHBondContact CB-OD1 3.5Å; P293-N385 WeakPolarHBondContact CG-OD1 3.21Å
294H91.9Very high93.8Very high53 Ų5358.6 Ų58.625%0.24533%0.333CS..SBendtrans-135.2159.9-165.8-57.6-42.5000113.7K292 N385 Q387 N412K292-H294 WeakPolarHBondContact CE-O 3.22Å; K292-H294 WeakPolarHBondContact CG-O 3.46Å; K292-H294 PolarHBondContact O-N 2.77Å; H294-N385 PolarHBondContact CD2-O 3.38Å; H294-N385 PolarHBondContact NE2-O 2.83Å; H294-Q387 HydrophobicContact CB-CG 3.83Å; H294-Q387 VanDerWaalsContact CD2-CG 3.46Å; H294-Q387 WeakPolarHBondContact CD2-CG 3.39Å; H294-Q387 PolarHBondContact CD2-NE2 2.74Å; H294-Q387 VanDerWaalsContact CD2-NE2 3.33Å; H294-Q387 VanDerWaalsContact CG-CD 3.48Å; H294-N412 HydrophobicContact CB-CB 4.47Å
295G88.7Confident93.9Very high35 Ų3557.9 Ų57.936%0.36134%0.335SS..SBendtrans79.1-164.2177.900000114.8K298G295-K298 PolarHBondContact O-N 3.28Å
296K86.8Confident93.9Very high165 Ų16557.2 Ų57.272%0.71733%0.328SS*.THydrogen-bonded Turntrans-66.8135.4-177.4-162.4-173-179.8178.60110.8K292K292-K296 WeakPolarHBondContact CD-O 3.45Å; K292-K296 WeakPolarHBondContact CE-O 3.31Å; K292-K296 PolarHBondContact NZ-O 2.82Å
297H88.2Confident94Very high115 Ų11554.8 Ų54.853%0.53231%0.312SS..THydrogen-bonded Turntrans61.540.9-173.5-46.8-78.2000113.7I289I289-H297 HydrophobicContact CD1-CB 3.61Å
298K92.4Very high94Very high139 Ų13954.1 Ų54.160%0.60431%0.306SS*.  trans-60.1143.1170.969.1177.2-174175.40111.8K292 G295 A300K292-K298 CarbonylContact O-C 2.98Å; K292-K298 WeakPolarHBondContact O-CA 3.45Å; K292-K298 WeakPolarHBondContact O-CB 3.41Å; G295-K298 PolarHBondContact O-N 3.28Å; K298-A300 PolarHBondContact O-N 2.98Å
299T92.6Very high94Very high27 Ų2755.3 Ų55.317%0.16632%0.317CS..  trans-87.187.9176.351.10000109.4I289 K292 G301 E302I289-T299 HydrophobicContact CB-CG2 4.4Å; I289-T299 HydrophobicContact CG2-CG2 3.82Å; I289-T299 WeakPolarHBondContact O-CG2 3.26Å; K292-T299 HydrophobicContact CB-CG2 4.42Å; K292-T299 PolarHBondContact N-OG1 2.76Å; K292-T299 PolarHBondContact O-N 3.11Å; K292-T299 PolarHBondContact O-OG1 3.43Å; T299-G301 PolarHBondContact O-N 3.14Å; T299-E302 PolarHBondContact O-N 3.16Å
300A89.4Confident94Very high91 Ų9158.8 Ų58.875%0.75233%0.331SS*.THydrogen-bonded Turntrans-64.3131.9-177.700000111.5K298 E302K298-A300 PolarHBondContact O-N 2.98Å; A300-E302 VanDerWaalsContact C-N 3.28Å; A300-E302 PolarHBondContact O-N 2.99Å
301G90Very high94.1Very high83 Ų8358.8 Ų58.886%0.85633%0.331SS*.THydrogen-bonded Turntrans81.8-6.8-178.100000115.4T299T299-G301 PolarHBondContact O-N 3.14Å
302E95.9Very high94Very high47 Ų4759.4 Ų59.422%0.2234%0.335CS..  trans-83.6118179-162.371-122.300111.2Y291 T299 A300 G306 A307 K310Y291-E302 HydrophobicContact CD2-CB 4.37Å; Y291-E302 HydrophobicContact CD2-CG 3.94Å; T299-E302 PolarHBondContact O-N 3.16Å; A300-E302 VanDerWaalsContact C-N 3.28Å; A300-E302 PolarHBondContact O-N 2.99Å; E302-G306 VanDerWaalsContact OE1-C 3.3Å; E302-A307 HydrophobicContact CG-CB 4.24Å; E302-A307 PolarHBondContact OE1-N 3.05Å; E302-K310 IonicContact OE1-NZ 3.27Å; E302-K310 PolarHBondContact OE1-NZ 2.72Å; E302-K310 IonicContact OE2-NZ 2.98Å; E302-K310 PolarHBondContact OE2-NZ 2.75Å
303T96.3Very high94.1Very high73 Ų7364.9 Ų64.945%0.44836%0.361SS..  trans-87.6167.3174.182.90000111.6E305 G306 A307T303-E305 WeakPolarHBondContact CB-OE2 3.12Å; T303-E305 PolarHBondContact O-N 3.13Å; T303-E305 PolarHBondContact OG1-N 2.93Å; T303-E305 PolarHBondContact OG1-OE2 2.83Å; T303-G306 PolarHBondContact O-N 3.26Å; T303-G306 PolarHBondContact OG1-N 3.47Å; T303-G306 VanDerWaalsContact OG1-N 3.08Å; T303-A307 WeakPolarHBondContact O-CB 3.25Å; T303-A307 PolarHBondContact O-N 2.63Å
304A96.3Very high94.2Very high13 Ų1364 Ų6411%0.10736%0.356CS..Hα-helixtrans-61.8-35.4174.400000112L308 W377 V381A304-L308 WeakPolarHBondContact O-CB 3.47Å; A304-L308 PolarHBondContact O-N 3.32Å; A304-W377 WeakPolarHBondContact O-CZ2 3.39Å; A304-W377 PolarHBondContact O-NE1 3.18Å; A304-V381 HydrophobicContact CB-CG1 3.91Å; A304-V381 HydrophobicContact CB-CG2 3.74Å
305E95.7Very high94.5Very high115 Ų11561.5 Ų61.554%0.53735%0.345SS..Hα-helixtrans-72.6-43.1178.4-54.769-148.300110.7T303 L308 M309T303-E305 WeakPolarHBondContact CB-OE2 3.12Å; T303-E305 PolarHBondContact O-N 3.13Å; T303-E305 PolarHBondContact OG1-N 2.93Å; T303-E305 PolarHBondContact OG1-OE2 2.83Å; E305-L308 PolarHBondContact O-N 3.07Å; E305-M309 WeakPolarHBondContact O-CG 3.33Å; E305-M309 PolarHBondContact O-N 2.74Å
306G96.5Very high94.8Very high11 Ų1163.5 Ų63.511%0.11334%0.343CS..Hα-helixtrans-60-46.1174.200000112.3E302 T303 M309 K310E302-G306 VanDerWaalsContact OE1-C 3.3Å; T303-G306 PolarHBondContact O-N 3.26Å; T303-G306 PolarHBondContact OG1-N 3.47Å; T303-G306 VanDerWaalsContact OG1-N 3.08Å; G306-M309 PolarHBondContact O-N 2.97Å; G306-K310 WeakPolarHBondContact O-CG 3.47Å; G306-K310 PolarHBondContact O-N 2.88Å
307A97.6Very high95.2Very high0 Ų058.6 Ų58.60%033%0.325CS..Hα-helixtrans-61.3-42.7174.500000112.6Y291 E302 T303 K310 L311 W377Y291-A307 HydrophobicContact CD1-CB 3.86Å; Y291-A307 HydrophobicContact CD2-CB 3.58Å; Y291-A307 HydrophobicContact CE1-CB 4.43Å; Y291-A307 HydrophobicContact CE2-CB 4.16Å; Y291-A307 HydrophobicContact CG-CB 3.42Å; Y291-A307 VanDerWaalsContact CG-CB 3.42Å; E302-A307 HydrophobicContact CG-CB 4.24Å; E302-A307 PolarHBondContact OE1-N 3.05Å; T303-A307 WeakPolarHBondContact O-CB 3.25Å; T303-A307 PolarHBondContact O-N 2.63Å; A307-K310 PolarHBondContact O-N 3.07Å; A307-L311 VanDerWaalsContact O-CB 3.27Å; A307-L311 WeakPolarHBondContact O-CB 3.47Å; A307-L311 PolarHBondContact O-N 3.22Å; A307-W377 HydrophobicContact CB-CH2 4.12Å; A307-W377 HydrophobicContact CB-CZ2 4.02Å
308L97.7Very high95.6Very high10 Ų1057.4 Ų57.45%0.05232%0.32CS..Hα-helixtrans-62.1-45.6176.3178.362.1000111.9A304 E305 K310 L311 T312 T353 H358 I360 W377A304-L308 WeakPolarHBondContact O-CB 3.47Å; A304-L308 PolarHBondContact O-N 3.32Å; E305-L308 PolarHBondContact O-N 3.07Å; L308-K310 PolarHBondContact O-N 2.81Å; L308-L311 PolarHBondContact O-N 3.32Å; L308-T312 HydrophobicContact CD1-CG2 3.77Å; L308-T312 HydrophobicContact CG-CG2 4.37Å; L308-T312 WeakPolarHBondContact O-CB 3.3Å; L308-T312 WeakPolarHBondContact O-CG2 3.4Å; L308-T312 PolarHBondContact O-N 3.02Å; L308-T312 PolarHBondContact O-OG1 3.5Å; L308-T353 HydrophobicContact CD2-CG2 4.3Å; L308-H358 HydrophobicContact CD1-CB 4.05Å; L308-H358 HydrophobicContact CD2-CB 4.11Å; L308-I360 HydrophobicContact CD1-CD1 4.43Å; L308-W377 HydrophobicContact CB-CD2 4.24Å; L308-W377 HydrophobicContact CB-CZ2 3.96Å; L308-W377 HydrophobicContact CD1-CB 4.37Å; L308-W377 HydrophobicContact CD1-CD2 3.79Å; L308-W377 HydrophobicContact CD1-CE3 4.16Å; L308-W377 HydrophobicContact CD1-CG 3.85Å; L308-W377 HydrophobicContact CD2-CG 4.23Å; L308-W377 HydrophobicContact CG-CD2 4.45Å; L308-W377 HydrophobicContact CG-CG 4.44Å
309M96.3Very high95.8Very high119 Ų11952 Ų5259%0.58630%0.299SS*.Hα-helixtrans-60.4-46.9177.3-71.2-169.9-5900111E305 G306 L311 T312 Q313E305-M309 WeakPolarHBondContact O-CG 3.33Å; E305-M309 PolarHBondContact O-N 2.74Å; G306-M309 PolarHBondContact O-N 2.97Å; M309-L311 PolarHBondContact O-N 2.89Å; M309-T312 PolarHBondContact O-OG1 3.07Å; M309-Q313 WeakPolarHBondContact O-CB 3.37Å; M309-Q313 PolarHBondContact O-N 3.48Å
310K97.5Very high96Very high99 Ų9951.2 Ų51.243%0.4329%0.294SS..Hα-helixtrans-65.8-37.5178.8-68.1165.6175.9158.60112.8L290 E302 G306 A307 L308 G314 Y322L290-K310 HydrophobicContact CD1-CB 3.81Å; L290-K310 HydrophobicContact CD1-CD 4.27Å; E302-K310 IonicContact OE1-NZ 3.27Å; E302-K310 PolarHBondContact OE1-NZ 2.72Å; E302-K310 IonicContact OE2-NZ 2.98Å; E302-K310 PolarHBondContact OE2-NZ 2.75Å; G306-K310 WeakPolarHBondContact O-CG 3.47Å; G306-K310 PolarHBondContact O-N 2.88Å; A307-K310 PolarHBondContact O-N 3.07Å; L308-K310 PolarHBondContact O-N 2.81Å; K310-G314 PolarHBondContact O-N 2.64Å; K310-Y322 PolarHBondContact O-OH 2.84Å; K310-Y322 VanDerWaalsContact O-OH 3.05Å
311L97.9Very high96.4Very high2 Ų247 Ų471%0.0126%0.259CS..Hα-helixtrans-67.1-51.2176.2177.862.2000111.5L290 A307 L308 M309 Q313 G314 L315 Y322 P333 I360 W377 I416L290-L311 HydrophobicContact CD2-CB 4.02Å; L290-L311 HydrophobicContact CD2-CD1 4.47Å; A307-L311 VanDerWaalsContact O-CB 3.27Å; A307-L311 WeakPolarHBondContact O-CB 3.47Å; A307-L311 PolarHBondContact O-N 3.22Å; L308-L311 PolarHBondContact O-N 3.32Å; M309-L311 PolarHBondContact O-N 2.89Å; L311-Q313 PolarHBondContact O-N 3.44Å; L311-G314 PolarHBondContact O-N 3.37Å; L311-L315 HydrophobicContact CD1-CD1 4.01Å; L311-L315 HydrophobicContact CD1-CG 4.16Å; L311-L315 HydrophobicContact CG-CD1 3.93Å; L311-L315 HydrophobicContact CG-CG 4.49Å; L311-L315 WeakPolarHBondContact O-CB 3.08Å; L311-L315 VanDerWaalsContact O-CG 3.23Å; L311-L315 WeakPolarHBondContact O-CG 3.24Å; L311-L315 PolarHBondContact O-N 2.62Å; L311-Y322 HydrophobicContact CD1-CD1 3.86Å; L311-Y322 HydrophobicContact CD1-CD2 3.76Å; L311-Y322 HydrophobicContact CD1-CE1 3.99Å; L311-Y322 HydrophobicContact CD1-CE2 3.89Å; L311-Y322 HydrophobicContact CD1-CG 3.73Å; L311-P333 HydrophobicContact CD1-CB 4.43Å; L311-I360 HydrophobicContact CD2-CD1 3.87Å; L311-I360 HydrophobicContact CD2-CG1 4.29Å; L311-W377 HydrophobicContact CD2-CE3 4.28Å; L311-W377 HydrophobicContact CD2-CH2 4.45Å; L311-W377 HydrophobicContact CD2-CZ3 3.68Å; L311-I416 HydrophobicContact CD2-CD1 4.28Å
312T97Very high96.8Very high20 Ų2043.1 Ų43.112%0.12322%0.218CC..Hα-helixtrans-66-37.1-179.4520000112.3L308 M309 K316 F336L308-T312 HydrophobicContact CD1-CG2 3.77Å; L308-T312 HydrophobicContact CG-CG2 4.37Å; L308-T312 WeakPolarHBondContact O-CB 3.3Å; L308-T312 WeakPolarHBondContact O-CG2 3.4Å; L308-T312 PolarHBondContact O-N 3.02Å; L308-T312 PolarHBondContact O-OG1 3.5Å; M309-T312 PolarHBondContact O-OG1 3.07Å; T312-K316 PolarHBondContact O-N 3.28Å; T312-F336 HydrophobicContact CG2-CB 4.36Å; T312-F336 HydrophobicContact CG2-CD1 3.78Å; T312-F336 HydrophobicContact CG2-CD2 3.81Å; T312-F336 HydrophobicContact CG2-CE1 3.95Å; T312-F336 HydrophobicContact CG2-CE2 4Å; T312-F336 HydrophobicContact CG2-CG 3.71Å; T312-F336 HydrophobicContact CG2-CZ 4.07Å; T312-F336 WeakPolarHBondContact O-CE1 3.47Å
313Q96.8Very high96.9Very high123 Ų12340.9 Ų40.958%0.57521%0.208SC*.Hα-helixtrans-64.8-49.4173.8-177.757.429.100111.7M309 L311 L315 K316 D317M309-Q313 WeakPolarHBondContact O-CB 3.37Å; M309-Q313 PolarHBondContact O-N 3.48Å; L311-Q313 PolarHBondContact O-N 3.44Å; Q313-L315 VanDerWaalsContact C-N 3.33Å; Q313-L315 PolarHBondContact O-N 3.29Å; Q313-K316 WeakPolarHBondContact O-CB 3.08Å; Q313-K316 PolarHBondContact O-N 3.02Å; Q313-K316 VanDerWaalsContact O-N 3.16Å; Q313-D317 PolarHBondContact O-N 2.71Å
314G96.9Very high97Very high4 Ų437.6 Ų37.64%0.04119%0.187CC..Hα-helixtrans-76.2-16.9-179.900000114.2R204 K310 L311 K316 D317 M320 Y322R204-G314 PolarHBondContact NH2-O 2.62Å; K310-G314 PolarHBondContact O-N 2.64Å; L311-G314 PolarHBondContact O-N 3.37Å; G314-K316 PolarHBondContact O-N 2.94Å; G314-D317 PolarHBondContact O-N 3.29Å; G314-D317 VanDerWaalsContact O-N 3.08Å; G314-D317 VanDerWaalsContact O-O 3.11Å; G314-M320 WeakPolarHBondContact O-CB 3.37Å; G314-Y322 WeakPolarHBondContact CA-OH 3.31Å
315L97.1Very high96.9Very high1 Ų137.5 Ų37.51%0.00518%0.184CC..Hα-helixtrans-66.2-27.8167.1-80170.1000112R204 L311 Q313 Y322 P333 F336R204-L315 PolarHBondContact NE-O 3.11Å; R204-L315 PolarHBondContact NH2-O 2.93Å; L311-L315 HydrophobicContact CD1-CD1 4.01Å; L311-L315 HydrophobicContact CD1-CG 4.16Å; L311-L315 HydrophobicContact CG-CD1 3.93Å; L311-L315 HydrophobicContact CG-CG 4.49Å; L311-L315 WeakPolarHBondContact O-CB 3.08Å; L311-L315 VanDerWaalsContact O-CG 3.23Å; L311-L315 WeakPolarHBondContact O-CG 3.24Å; L311-L315 PolarHBondContact O-N 2.62Å; Q313-L315 VanDerWaalsContact C-N 3.33Å; Q313-L315 PolarHBondContact O-N 3.29Å; L315-Y322 HydrophobicContact CD2-CD2 3.99Å; L315-Y322 HydrophobicContact CD2-CE2 4.28Å; L315-Y322 HydrophobicContact CG-CD2 4.21Å; L315-Y322 HydrophobicContact CG-CE2 4.08Å; L315-P333 HydrophobicContact CD2-CB 4.23Å; L315-F336 HydrophobicContact CB-CD1 4.18Å; L315-F336 HydrophobicContact CD1-CB 4.32Å; L315-F336 HydrophobicContact CD1-CD1 4.02Å
316K95.8Very high96.8Very high76 Ų7632 Ų3233%0.3316%0.159SC..SBendtrans-79.7-14.1169.2-61172.6-176.6-176.70113.5Q196 V199 T312 Q313 G314 F336Q196-K316 WeakPolarHBondContact O-CE 3.21Å; Q196-K316 PolarHBondContact O-NZ 3.38Å; V199-K316 HydrophobicContact CG1-CG 4.09Å; V199-K316 HydrophobicContact CG2-CD 4.4Å; V199-K316 HydrophobicContact CG2-CG 3.92Å; T312-K316 PolarHBondContact O-N 3.28Å; Q313-K316 WeakPolarHBondContact O-CB 3.08Å; Q313-K316 PolarHBondContact O-N 3.02Å; Q313-K316 VanDerWaalsContact O-N 3.16Å; G314-K316 PolarHBondContact O-N 2.94Å; K316-F336 HydrophobicContact CG-CE1 4.34Å
317D95.5Very high96.4Very high62 Ų6232.7 Ų32.733%0.33216%0.159SC..  trans-95.5127.1-175.4-171.8-18.9000111.5R204 Q313 G314 S319 M320R204-D317 PolarHBondContact NH2-O 2.99Å; Q313-D317 PolarHBondContact O-N 2.71Å; G314-D317 PolarHBondContact O-N 3.29Å; G314-D317 VanDerWaalsContact O-N 3.08Å; G314-D317 VanDerWaalsContact O-O 3.11Å; D317-S319 PolarHBondContact O-N 3.39Å; D317-S319 VanDerWaalsContact OD1-CB 3.3Å; D317-S319 WeakPolarHBondContact OD1-CB 3.36Å; D317-S319 PolarHBondContact OD1-N 3.24Å; D317-S319 PolarHBondContact OD1-OG 2.8Å; D317-S319 PolarHBondContact OD2-OG 3.49Å; D317-S319 VanDerWaalsContact OD2-OG 3.07Å; D317-M320 HydrophobicContact CB-CB 4.26Å; D317-M320 HydrophobicContact CB-CG 4.18Å; D317-M320 PolarHBondContact O-N 2.96Å
318E96.1Very high96Very high91 Ų9138.9 Ų38.943%0.42519%0.192SC..THydrogen-bonded Turntrans-70.8-13.4178.6-48-165134.300113.7R203 A235R203-E318 IonicContact CZ-OE1 2.62Å; R203-E318 IonicContact NH1-OE1 3.82Å; R203-E318 PolarHBondContact NH1-OE1 2.82Å; R203-E318 IonicContact NH2-OE1 3.27Å; R203-E318 PolarHBondContact NH2-OE1 2.91Å; A235-E318 HydrophobicContact CB-CB 3.75Å; A235-E318 WeakPolarHBondContact CB-O 3.44Å
319S96.3Very high95.7Very high24 Ų2438.8 Ų38.817%0.16819%0.192CC..THydrogen-bonded Turntrans-91.7-4.3178.875.20000114.1L229 D317 Q420 R421L229-S319 WeakPolarHBondContact CD2-O 3.43Å; D317-S319 PolarHBondContact O-N 3.39Å; D317-S319 VanDerWaalsContact OD1-CB 3.3Å; D317-S319 WeakPolarHBondContact OD1-CB 3.36Å; D317-S319 PolarHBondContact OD1-N 3.24Å; D317-S319 PolarHBondContact OD1-OG 2.8Å; D317-S319 PolarHBondContact OD2-OG 3.49Å; D317-S319 VanDerWaalsContact OD2-OG 3.07Å; S319-Q420 CarbonylContact O-C 3.46Å; S319-Q420 VanDerWaalsContact O-CA 3.28Å; S319-Q420 WeakPolarHBondContact O-CA 3.37Å; S319-R421 PolarHBondContact O-N 3.2Å
320M97.5Very high95.6Very high11 Ų1133.7 Ų33.75%0.05417%0.166CC..EExtended strand (participates in β ladder)trans-121.8136.1-171.5-71-71.8-73.400111.7R204 F228 Y288 G314 D317 Y322 A418 F419 Q420R204-M320 VanDerWaalsContact CZ-O 3.3Å; R204-M320 PolarHBondContact NH1-O 3.11Å; R204-M320 PolarHBondContact NH2-O 3.43Å; F228-M320 WeakPolarHBondContact CE1-O 3.2Å; Y288-M320 WeakPolarHBondContact OH-CE 3.3Å; G314-M320 WeakPolarHBondContact O-CB 3.37Å; D317-M320 HydrophobicContact CB-CB 4.26Å; D317-M320 HydrophobicContact CB-CG 4.18Å; D317-M320 PolarHBondContact O-N 2.96Å; M320-Y322 HydrophobicContact CB-CE2 4.41Å; M320-Y322 HydrophobicContact CE-CE1 4.1Å; M320-Y322 WeakPolarHBondContact CE-OH 3.4Å; M320-A418 HydrophobicContact CE-CB 3.99Å; M320-F419 CarbonylContact C-O 3.6Å; M320-Q420 HydrophobicContact CG-CG 4.45Å; M320-Q420 HydrophobicContact SD-CB 3.57Å; M320-Q420 VanDerWaalsContact SD-CB 3.57Å; M320-Q420 HydrophobicContact SD-CG 3.49Å; M320-Q420 WeakPolarHBondContact SD-CG 3.28Å
321A98.1Very high95.4Very high2 Ų229.6 Ų29.62%0.01715%0.148CC..EExtended strand (participates in β ladder)trans-134160171.500000110.7C225 F228 L229 A418 F419C225-A321 HydrophobicContact CB-CB 3.8Å; F228-A321 HydrophobicContact CD1-CB 4.07Å; L229-A321 HydrophobicContact CD1-CB 4.07Å; L229-A321 HydrophobicContact CD2-CB 4.18Å; L229-A321 HydrophobicContact CG-CB 3.97Å; A321-A418 CarbonylContact O-C 3.39Å; A321-A418 WeakPolarHBondContact O-CA 3.27Å; A321-F419 HydrophobicContact CB-CB 4.43Å; A321-F419 PolarHBondContact N-O 3.22Å; A321-F419 PolarHBondContact O-N 3.33Å
322Y98.4Very high95.4Very high3 Ų329.7 Ų29.71%0.01215%0.149CC..EExtended strand (participates in β ladder)trans-135.7146.1-172.3-60.7-80.3000112.7C225 L290 K310 L311 G314 L315 M320 P333 I416 M417 A418C225-Y322 PolarHBondContact SG-O 2.93Å; C225-Y322 VanDerWaalsContact SG-O 3.39Å; L290-Y322 HydrophobicContact CD2-CD1 4.24Å; L290-Y322 HydrophobicContact CD2-CE1 3.8Å; K310-Y322 PolarHBondContact O-OH 2.84Å; K310-Y322 VanDerWaalsContact O-OH 3.05Å; L311-Y322 HydrophobicContact CD1-CD1 3.86Å; L311-Y322 HydrophobicContact CD1-CD2 3.76Å; L311-Y322 HydrophobicContact CD1-CE1 3.99Å; L311-Y322 HydrophobicContact CD1-CE2 3.89Å; L311-Y322 HydrophobicContact CD1-CG 3.73Å; G314-Y322 WeakPolarHBondContact CA-OH 3.31Å; L315-Y322 HydrophobicContact CD2-CD2 3.99Å; L315-Y322 HydrophobicContact CD2-CE2 4.28Å; L315-Y322 HydrophobicContact CG-CD2 4.21Å; L315-Y322 HydrophobicContact CG-CE2 4.08Å; M320-Y322 HydrophobicContact CB-CE2 4.41Å; M320-Y322 HydrophobicContact CE-CE1 4.1Å; M320-Y322 WeakPolarHBondContact CE-OH 3.4Å; Y322-P333 WeakPolarHBondContact O-CD 3.36Å; Y322-I416 HydrophobicContact CD1-CG2 4.18Å; Y322-M417 VanDerWaalsContact CA-O 3.26Å; Y322-M417 WeakPolarHBondContact CA-O 3.45Å; Y322-A418 HydrophobicContact CD1-CB 3.92Å; Y322-A418 HydrophobicContact CE1-CB 3.73Å
323I98.3Very high95.4Very high0 Ų029 Ų290%015%0.145CC..EExtended strand (participates in β ladder)trans-123.5124.7165.1-59.1177.5000108.5L222 C225 Y330 F331 M417 F419L222-I323 HydrophobicContact CB-CD1 4.38Å; C225-I323 WeakPolarHBondContact SG-CG1 3.3Å; I323-Y330 HydrophobicContact CG2-CD1 3.78Å; I323-Y330 HydrophobicContact CG2-CG 4.35Å; I323-F331 CarbonylContact C-O 3.57Å; I323-F331 VanDerWaalsContact CA-O 3.25Å; I323-F331 WeakPolarHBondContact CA-O 3.35Å; I323-M417 HydrophobicContact CB-CE 4.07Å; I323-M417 HydrophobicContact CG2-CE 3.89Å; I323-M417 PolarHBondContact N-O 3.48Å; I323-M417 PolarHBondContact O-N 3.29Å; I323-F419 HydrophobicContact CB-CE2 3.91Å; I323-F419 HydrophobicContact CD1-CD2 4.39Å; I323-F419 HydrophobicContact CD1-CE2 3.52Å; I323-F419 HydrophobicContact CD1-CZ 3.71Å; I323-F419 HydrophobicContact CG1-CD2 4.19Å; I323-F419 HydrophobicContact CG1-CE2 3.55Å; I323-F419 HydrophobicContact CG1-CZ 4.25Å
324Y97.6Very high95.5Very high4 Ų423.3 Ų23.32%0.01612%0.118CC..EExtended strand (participates in β ladder)trans-94119.4167.7176.5-150.4000108.8C326 Y330 F331 I362 I380 D383 L384 I394 I416Y324-C326 HydrophobicContact CD2-CB 4.44Å; Y324-C326 HydrophobicContact CE1-CB 4.36Å; Y324-C326 VanDerWaalsContact CE1-SG 3.51Å; Y324-C326 HydrophobicContact CE2-CB 3.73Å; Y324-Y330 WeakPolarHBondContact O-CA 3.47Å; Y324-F331 PolarHBondContact N-O 2.82Å; Y324-F331 PolarHBondContact O-N 3.12Å; Y324-I362 HydrophobicContact CD1-CD1 4.26Å; Y324-I380 HydrophobicContact CE1-CG1 4.03Å; Y324-I380 HydrophobicContact CE1-CG2 4.22Å; Y324-I380 HydrophobicContact CE2-CG2 4.21Å; Y324-D383 PolarHBondContact OH-OD2 3.34Å; Y324-L384 HydrophobicContact CE2-CD2 3.99Å; Y324-L384 HydrophobicContact CE2-CG 4.29Å; Y324-I394 HydrophobicContact CE1-CG1 4.11Å; Y324-I394 HydrophobicContact CE1-CG2 4.15Å; Y324-I394 WeakPolarHBondContact OH-CG2 3.39Å; Y324-I416 HydrophobicContact CD2-CG1 4.01Å; Y324-I416 HydrophobicContact CG-CG1 4.49Å
325H95.3Very high95.5Very high10 Ų1023.1 Ų23.15%0.04612%0.116CC..EExtended strand (participates in β ladder)trans-101.9125.1173.4176.5-126.1000109.9N267 H329 Y330 L413 H414 C415 M417N267-H325 PolarHBondContact OD1-ND1 3.19Å; N267-H325 VanDerWaalsContact OD1-ND1 3.09Å; H325-H329 WeakPolarHBondContact CA-O 3.4Å; H325-H329 PolarHBondContact CD2-O 2.79Å; H325-H329 VanDerWaalsContact CD2-O 3.3Å; H325-Y330 HydrophobicContact CB-CD1 3.59Å; H325-Y330 HydrophobicContact CB-CE1 3.59Å; H325-Y330 AromaticContact CD2-CD1 3.52Å; H325-Y330 AromaticContact CD2-CE1 3.24Å; H325-Y330 WeakPolarHBondContact CD2-CE1 3.44Å; H325-Y330 AromaticContact CD2-CE2 3.84Å; H325-Y330 AromaticContact CD2-CG 3.94Å; H325-Y330 AromaticContact CD2-CZ 3.44Å; H325-Y330 VanDerWaalsContact CD2-CZ 3.44Å; H325-Y330 AromaticContact CG-CD1 3.78Å; H325-Y330 AromaticContact CG-CE1 3.41Å; H325-Y330 VanDerWaalsContact CG-CE1 3.41Å; H325-Y330 AromaticContact CG-CZ 3.98Å; H325-Y330 AromaticContact NE2-CZ 3.79Å; H325-L413 PolarHBondContact ND1-O 3.12Å; H325-L413 VanDerWaalsContact ND1-O 3.11Å; H325-H414 CarbonylContact O-C 3.49Å; H325-H414 WeakPolarHBondContact O-CA 3.44Å; H325-H414 WeakPolarHBondContact O-CB 3.3Å; H325-C415 PolarHBondContact N-O 3.45Å; H325-C415 PolarHBondContact O-N 2.84Å; H325-M417 HydrophobicContact CB-CE 4.32Å
326C92.6Very high95.5Very high0 Ų023.4 Ų23.40%012%0.118CC..EExtended strand (participates in β ladder)trans-159.7146.2175.352.50000111.4Y324 N328 H329 F331 D383 I394 H414Y324-C326 HydrophobicContact CD2-CB 4.44Å; Y324-C326 HydrophobicContact CE1-CB 4.36Å; Y324-C326 VanDerWaalsContact CE1-SG 3.51Å; Y324-C326 HydrophobicContact CE2-CB 3.73Å; C326-N328 VanDerWaalsContact C-N 3.31Å; C326-N328 PolarHBondContact O-N 3Å; C326-H329 PolarHBondContact N-O 2.81Å; C326-H329 PolarHBondContact O-N 3.43Å; C326-F331 WeakPolarHBondContact SG-CE2 3.48Å; C326-D383 WeakPolarHBondContact CB-OD2 3.39Å; C326-I394 HydrophobicContact CB-CG2 3.8Å; C326-I394 WeakPolarHBondContact SG-CG2 3.1Å; C326-H414 HydrophobicContact CB-CB 4.28Å
327Q88.6Confident95.6Very high26 Ų2622.6 Ų22.612%0.12112%0.115CC..THydrogen-bonded Turntrans48.747.4177.2-56.2-61.4-13.800114H329 L392 R395 H414Q327-H329 PolarHBondContact O-N 2.81Å; Q327-L392 PolarHBondContact NE2-O 3.44Å; Q327-R395 HydrophobicContact CB-CG 4.42Å; Q327-H414 PolarHBondContact N-CE1 2.96Å; Q327-H414 PolarHBondContact N-NE2 2.83Å; Q327-H414 PolarHBondContact NE2-CE1 3.29Å; Q327-H414 VanDerWaalsContact NE2-CE1 3.35Å
328N87.9Confident95.6Very high130 Ų13019.9 Ų19.970%0.69510%0.101SC*.THydrogen-bonded Turntrans53.530.1-176.3-58.9-24.7000114C326C326-N328 VanDerWaalsContact C-N 3.31Å; C326-N328 PolarHBondContact O-N 3Å
329H92.1Very high95.6Very high8 Ų817.6 Ų17.64%0.0379%0.094CC..EExtended strand (participates in β ladder)trans-135.8150.7178.1-166.735.7000110.6C217 H325 C326 Q327 F331 E364 R395C217-H329 WeakPolarHBondContact CB-CE1 3.5Å; C217-H329 WeakPolarHBondContact CB-ND1 3.48Å; C217-H329 PolarHBondContact SG-ND1 2.89Å; H325-H329 WeakPolarHBondContact CA-O 3.4Å; H325-H329 PolarHBondContact CD2-O 2.79Å; H325-H329 VanDerWaalsContact CD2-O 3.3Å; C326-H329 PolarHBondContact N-O 2.81Å; C326-H329 PolarHBondContact O-N 3.43Å; Q327-H329 PolarHBondContact O-N 2.81Å; H329-F331 HydrophobicContact CB-CE2 4.22Å; H329-F331 AromaticContact CD2-CE1 3.6Å; H329-F331 AromaticContact CD2-CE2 3.59Å; H329-F331 AromaticContact CD2-CZ 3.31Å; H329-F331 WeakPolarHBondContact CD2-CZ 3.22Å; H329-F331 AromaticContact NE2-CE1 3.85Å; H329-E364 IonicContact CD2-OE2 3.27Å; H329-E364 IonicContact CE1-OE1 2.91Å; H329-E364 PolarHBondContact CE1-OE1 2.68Å; H329-E364 IonicContact CE1-OE2 2.68Å; H329-E364 VanDerWaalsContact NE2-CD 3.26Å; H329-E364 IonicContact NE2-OE1 2.83Å; H329-E364 PolarHBondContact NE2-OE1 3.18Å; H329-E364 IonicContact NE2-OE2 3.42Å; H329-E364 PolarHBondContact NE2-OE2 3.36Å; H329-R395 PolarHBondContact CD2-NH2 2.83Å; H329-R395 VanDerWaalsContact CD2-NH2 3.26Å
330Y94.3Very high95.5Very high12 Ų1217.5 Ų17.55%0.0479%0.092CC..EExtended strand (participates in β ladder)trans-121.7133.5-176.1-63.6-89.2000108.9G218 S221 T265 G266 N267 L270 I323 Y324 H325 M417G218-Y330 VanDerWaalsContact CA-CD2 3.41Å; S221-Y330 PolarHBondContact OG-O 3.37Å; T265-Y330 PolarHBondContact O-OH 3.09Å; G266-Y330 WeakPolarHBondContact CA-OH 3.24Å; N267-Y330 PolarHBondContact N-OH 2.72Å; L270-Y330 HydrophobicContact CD1-CD1 3.63Å; L270-Y330 HydrophobicContact CD1-CD2 4.47Å; L270-Y330 HydrophobicContact CD1-CE1 3.36Å; L270-Y330 HydrophobicContact CD1-CE2 4.24Å; L270-Y330 HydrophobicContact CD1-CG 4.18Å; I323-Y330 HydrophobicContact CG2-CD1 3.78Å; I323-Y330 HydrophobicContact CG2-CG 4.35Å; Y324-Y330 WeakPolarHBondContact O-CA 3.47Å; H325-Y330 HydrophobicContact CB-CD1 3.59Å; H325-Y330 HydrophobicContact CB-CE1 3.59Å; H325-Y330 AromaticContact CD2-CD1 3.52Å; H325-Y330 AromaticContact CD2-CE1 3.24Å; H325-Y330 WeakPolarHBondContact CD2-CE1 3.44Å; H325-Y330 AromaticContact CD2-CE2 3.84Å; H325-Y330 AromaticContact CD2-CG 3.94Å; H325-Y330 AromaticContact CD2-CZ 3.44Å; H325-Y330 VanDerWaalsContact CD2-CZ 3.44Å; H325-Y330 AromaticContact CG-CD1 3.78Å; H325-Y330 AromaticContact CG-CE1 3.41Å; H325-Y330 VanDerWaalsContact CG-CE1 3.41Å; H325-Y330 AromaticContact CG-CZ 3.98Å; H325-Y330 AromaticContact NE2-CZ 3.79Å; Y330-M417 HydrophobicContact CD1-CE 4.12Å; Y330-M417 HydrophobicContact CE1-CE 3.95Å
331F93.4Very high95.4Very high12 Ų1222.3 Ų22.35%0.05312%0.118CC..EExtended strand (participates in β ladder)trans-130.2161.1-177.3-57.2-96.6000111I323 Y324 C326 H329 I362 E364 R395I323-F331 CarbonylContact C-O 3.57Å; I323-F331 VanDerWaalsContact CA-O 3.25Å; I323-F331 WeakPolarHBondContact CA-O 3.35Å; Y324-F331 PolarHBondContact N-O 2.82Å; Y324-F331 PolarHBondContact O-N 3.12Å; C326-F331 WeakPolarHBondContact SG-CE2 3.48Å; H329-F331 HydrophobicContact CB-CE2 4.22Å; H329-F331 AromaticContact CD2-CE1 3.6Å; H329-F331 AromaticContact CD2-CE2 3.59Å; H329-F331 AromaticContact CD2-CZ 3.31Å; H329-F331 WeakPolarHBondContact CD2-CZ 3.22Å; H329-F331 AromaticContact NE2-CE1 3.85Å; F331-I362 HydrophobicContact CB-CG2 3.4Å; F331-I362 VanDerWaalsContact CB-CG2 3.4Å; F331-I362 HydrophobicContact CD1-CG2 3.75Å; F331-I362 HydrophobicContact CG-CG2 3.88Å; F331-E364 VanDerWaalsContact CE1-OE2 3.24Å; F331-E364 WeakPolarHBondContact CE1-OE2 3.49Å; F331-R395 HydrophobicContact CE2-CG 4.41Å; F331-R395 HydrophobicContact CZ-CG 4.01Å
332C97.6Very high95.2Very high5 Ų529 Ų293%0.03415%0.146CC..EExtended strand (participates in β ladder)trans-113.8110.5176-62.10000111.3I208 V334 I362 G363I208-C332 HydrophobicContact CD1-CB 3.6Å; C332-V334 PolarHBondContact O-N 3.13Å; C332-I362 CarbonylContact O-C 3.5Å; C332-G363 PolarHBondContact N-O 3.01Å; C332-G363 VanDerWaalsContact N-O 3.11Å; C332-G363 PolarHBondContact O-N 2.87Å
333P97.9Very high94.9Very high6 Ų633.3 Ų33.34%0.03918%0.183CC..EExtended strand (participates in β ladder)trans-56.8123.3164.5-26.636.2000111.5L311 L315 Y322 I360 L361L311-P333 HydrophobicContact CD1-CB 4.43Å; L315-P333 HydrophobicContact CD2-CB 4.23Å; Y322-P333 WeakPolarHBondContact O-CD 3.36Å; P333-I360 HydrophobicContact CB-CG2 4.01Å; P333-I360 HydrophobicContact CG-CG2 4.49Å; P333-L361 CarbonylContact C-O 3.58Å; P333-L361 WeakPolarHBondContact CA-O 3.41Å
334V97.8Very high94.5Very high2 Ų237.5 Ų37.51%0.01222%0.218CC..EExtended strand (participates in β ladder)trans-113.9-11.1-177.6-63.50000113.6L200 R204 I208 C332 L361L200-V334 HydrophobicContact CD1-CB 4.36Å; L200-V334 HydrophobicContact CD1-CG2 3.87Å; R204-V334 HydrophobicContact CB-CB 3.98Å; R204-V334 HydrophobicContact CB-CG1 3.9Å; R204-V334 WeakPolarHBondContact CD-O 3.23Å; I208-V334 HydrophobicContact CD1-CG1 3.92Å; I208-V334 HydrophobicContact CG1-CG1 4.3Å; C332-V334 PolarHBondContact O-N 3.13Å; V334-L361 HydrophobicContact CG2-CB 4.06Å; V334-L361 WeakPolarHBondContact CG2-O 3.46Å; V334-L361 PolarHBondContact N-O 2.93Å
335G97.6Very high94.2Very high0 Ų039 Ų390%022%0.224CC..EExtended strand (participates in β ladder)trans179.7-177-177.500000112.7V199 L361V199-G335 CarbonylContact O-C 3.55Å; V199-G335 WeakPolarHBondContact O-CA 3.32Å; G335-L361 PolarHBondContact N-O 3.03Å; G335-L361 PolarHBondContact O-N 2.88Å
336F97.7Very high94Very high7 Ų740.1 Ų40.13%0.03124%0.235CC..EExtended strand (participates in β ladder)trans-153.5160.2174.874.9-90.3000112.2V199 T312 L315 K316 A338 W359 I360V199-F336 HydrophobicContact CB-CD1 3.88Å; V199-F336 HydrophobicContact CB-CE1 3.6Å; V199-F336 HydrophobicContact CB-CZ 4.12Å; V199-F336 HydrophobicContact CG1-CE1 4.24Å; V199-F336 HydrophobicContact CG2-CD1 4.26Å; V199-F336 HydrophobicContact CG2-CE1 3.5Å; V199-F336 VanDerWaalsContact CG2-CE1 3.5Å; V199-F336 HydrophobicContact CG2-CE2 4.43Å; V199-F336 HydrophobicContact CG2-CZ 3.59Å; V199-F336 PolarHBondContact N-O 3.08Å; V199-F336 PolarHBondContact O-N 3.41Å; T312-F336 HydrophobicContact CG2-CB 4.36Å; T312-F336 HydrophobicContact CG2-CD1 3.78Å; T312-F336 HydrophobicContact CG2-CD2 3.81Å; T312-F336 HydrophobicContact CG2-CE1 3.95Å; T312-F336 HydrophobicContact CG2-CE2 4Å; T312-F336 HydrophobicContact CG2-CG 3.71Å; T312-F336 HydrophobicContact CG2-CZ 4.07Å; T312-F336 WeakPolarHBondContact O-CE1 3.47Å; L315-F336 HydrophobicContact CB-CD1 4.18Å; L315-F336 HydrophobicContact CD1-CB 4.32Å; L315-F336 HydrophobicContact CD1-CD1 4.02Å; K316-F336 HydrophobicContact CG-CE1 4.34Å; F336-A338 HydrophobicContact CE2-CB 4.48Å; F336-W359 CarbonylContact C-O 3.5Å; F336-W359 WeakPolarHBondContact CA-O 3.27Å; F336-W359 VanDerWaalsContact CB-O 3.31Å; F336-W359 WeakPolarHBondContact CB-O 3.39Å; F336-I360 HydrophobicContact CB-CD1 4Å
337E97Very high93.9Very high60 Ų6048.1 Ų48.128%0.2827%0.267SS..EExtended strand (participates in β ladder)trans-128.1131.8168176.5166.5163.200110.5R197 K198 T339 H358 W359R197-E337 CarbonylContact O-C 3.53Å; R197-E337 WeakPolarHBondContact O-CA 3.32Å; K198-E337 HydrophobicContact CG-CG 4Å; K198-E337 IonicContact NZ-OE1 2.76Å; K198-E337 PolarHBondContact NZ-OE1 3.44Å; K198-E337 IonicContact NZ-OE2 3.76Å; K198-E337 PolarHBondContact NZ-OE2 3.14Å; E337-T339 WeakPolarHBondContact CG-OG1 3.1Å; E337-T339 PolarHBondContact OE1-OG1 3.27Å; E337-H358 WeakPolarHBondContact O-CA 3.24Å; E337-W359 HydrophobicContact CB-CB 4.39Å; E337-W359 PolarHBondContact N-O 2.98Å; E337-W359 PolarHBondContact O-N 2.71Å
338A96.2Very high93.8Very high5 Ų552.8 Ų52.84%0.04128%0.283CS..EExtended strand (participates in β ladder)trans-103.594172.300000109.5R197 F336 M356R197-A338 HydrophobicContact CB-CB 4.24Å; R197-A338 HydrophobicContact CG-CB 4.36Å; R197-A338 PolarHBondContact O-N 2.98Å; F336-A338 HydrophobicContact CE2-CB 4.48Å; A338-M356 HydrophobicContact CB-CB 4.46Å; A338-M356 HydrophobicContact CB-CE 4.44Å; A338-M356 HydrophobicContact CB-SD 3.93Å
339T95.4Very high93.5Very high43 Ų4346.7 Ų46.726%0.26425%0.251SS..EExtended strand (participates in β ladder)trans-89120.2-173.2-51.30000110.7E337 L341 M356 E357E337-T339 WeakPolarHBondContact CG-OG1 3.1Å; E337-T339 PolarHBondContact OE1-OG1 3.27Å; T339-L341 PolarHBondContact O-N 2.82Å; T339-M356 CarbonylContact O-C 3.51Å; T339-M356 VanDerWaalsContact O-CA 3.3Å; T339-M356 WeakPolarHBondContact O-CA 3.35Å; T339-E357 PolarHBondContact N-O 2.8Å; T339-E357 PolarHBondContact O-N 3.45Å
340P94.8Very high93.1Very high22 Ų2250.8 Ų50.814%0.14328%0.278CS..EExtended strand (participates in β ladder)trans-62.5133.9176.7-24.737.1000112.2R197 K342 K345 L351R197-P340 VanDerWaalsContact NH1-CG 3.35Å; P340-K342 PolarHBondContact O-N 2.93Å; P340-K345 HydrophobicContact CB-CB 3.91Å; P340-L351 HydrophobicContact CB-CD1 3.67Å; P340-L351 HydrophobicContact CG-CD1 3.58Å
341L93.8Very high92.7Very high112 Ų11251.5 Ų51.559%0.58628%0.283SS*.SBendtrans-64.8-8.1-178.6-67.3175.3000114.6T339 E355 E357T339-L341 PolarHBondContact O-N 2.82Å; L341-E355 WeakPolarHBondContact CG-O 3.19Å; L341-E355 PolarHBondContact N-O 2.87Å; L341-E357 HydrophobicContact CD2-CB 3.91Å
342K93.9Very high92.4Very high141 Ų14154.2 Ų54.261%0.61330%0.301SS*.SBendtrans-133127.6179.1-62.8-174.5-179.7-176.90109.5P340 A344 K345P340-K342 PolarHBondContact O-N 2.93Å; K342-A344 VanDerWaalsContact C-N 3.26Å; K342-A344 PolarHBondContact O-N 3.42Å; K342-K345 HydrophobicContact CB-CD 4.47Å; K342-K345 HydrophobicContact CB-CG 4.22Å; K342-K345 WeakPolarHBondContact O-CA 3.31Å; K342-K345 WeakPolarHBondContact O-CB 3.4Å; K342-K345 PolarHBondContact O-N 3.35Å
343A92.5Very high91.9Very high95 Ų9557.4 Ų57.479%0.78532%0.321SS*.G310 helixtrans-54-39.4-179.400000113.2K345 A346A343-K345 PolarHBondContact O-N 3.26Å; A343-A346 VanDerWaalsContact O-CB 3.22Å; A343-A346 WeakPolarHBondContact O-CB 3.46Å; A343-A346 PolarHBondContact O-N 3.37Å
344A91.4Very high91.5Very high88 Ų8863.4 Ų63.473%0.72735%0.353SS*.G310 helixtrans-63.2-7.3175.200000114.9K342K342-A344 VanDerWaalsContact C-N 3.26Å; K342-A344 PolarHBondContact O-N 3.42Å
345K91Very high91.2Very high34 Ų3466.3 Ų66.315%0.14837%0.366CS..G310 helixtrans-104.6-2.2173.8-60.2-168.5169.9-163.30113.4P340 K342 A343 Y347 R348 L351 E355P340-K345 HydrophobicContact CB-CB 3.91Å; K342-K345 HydrophobicContact CB-CD 4.47Å; K342-K345 HydrophobicContact CB-CG 4.22Å; K342-K345 WeakPolarHBondContact O-CA 3.31Å; K342-K345 WeakPolarHBondContact O-CB 3.4Å; K342-K345 PolarHBondContact O-N 3.35Å; A343-K345 PolarHBondContact O-N 3.26Å; K345-Y347 PolarHBondContact O-N 2.96Å; K345-Y347 VanDerWaalsContact O-N 3.16Å; K345-R348 PolarHBondContact O-N 2.98Å; K345-R348 VanDerWaalsContact O-N 3.1Å; K345-L351 HydrophobicContact CB-CD1 4.01Å; K345-L351 HydrophobicContact CB-CD2 4.42Å; K345-L351 HydrophobicContact CD-CD2 4.13Å; K345-E355 IonicContact NZ-OE1 3.93Å; K345-E355 PolarHBondContact NZ-OE1 3.43Å; K345-E355 IonicContact NZ-OE2 2.8Å; K345-E355 PolarHBondContact NZ-OE2 2.75Å
346A90.6Very high91Very high34 Ų3467.3 Ų67.328%0.28137%0.371SS..THydrogen-bonded Turntrans-48-47.8-178.200000112.5R197 A343R197-A346 PolarHBondContact NH1-O 3.23Å; R197-A346 PolarHBondContact NH2-O 2.95Å; A343-A346 VanDerWaalsContact O-CB 3.22Å; A343-A346 WeakPolarHBondContact O-CB 3.46Å; A343-A346 PolarHBondContact O-N 3.37Å
347Y90.4Very high90.9Very high169 Ų16969.7 Ų69.766%0.66338%0.382SS*.THydrogen-bonded Turntrans-107.616.9-178.9-52.8-71.4000114.2H188 A189 I194 K345H188-Y347 CarbonylContact C-O 3.6Å; H188-Y347 VanDerWaalsContact CA-O 3.26Å; H188-Y347 WeakPolarHBondContact CA-O 3.16Å; A189-Y347 PolarHBondContact N-O 2.94Å; I194-Y347 HydrophobicContact CD1-CD1 4.42Å; K345-Y347 PolarHBondContact O-N 2.96Å; K345-Y347 VanDerWaalsContact O-N 3.16Å
348R86.4Confident90.9Very high124 Ų12467.9 Ų67.947%0.46837%0.374SS..  trans-73.5160169-77.7-166.8-179.1-168-4.5110.6A189 R197 K345 L351A189-R348 WeakPolarHBondContact CB-O 3.14Å; R197-R348 PolarHBondContact NH2-O 2.88Å; K345-R348 PolarHBondContact O-N 2.98Å; K345-R348 VanDerWaalsContact O-N 3.1Å; R348-L351 HydrophobicContact CB-CD2 4.27Å
349G81.2Confident91Very high2 Ų270.9 Ų70.92%0.02138%0.384CS..SBendtrans-58.9-152173.200000114.4L351G349-L351 PolarHBondContact O-N 3.18Å; G349-L351 VanDerWaalsContact O-N 3.14Å
350P83.3Confident91.1Very high94 Ų9468.9 Ų68.961%0.6137%0.372SS*.  trans-57.7121.7-174.9-2536.5000111.7E193E193-P350 WeakPolarHBondContact OE1-CD 3.4Å; E193-P350 VanDerWaalsContact OE1-CG 3.32Å; E193-P350 WeakPolarHBondContact OE1-CG 3.15Å
351L86.9Confident91.3Very high27 Ų2769.4 Ų69.414%0.14137%0.373CS..  trans-106.9141.7176.1-64.8178.1000109.7P340 K345 R348 G349 M356P340-L351 HydrophobicContact CB-CD1 3.67Å; P340-L351 HydrophobicContact CG-CD1 3.58Å; K345-L351 HydrophobicContact CB-CD1 4.01Å; K345-L351 HydrophobicContact CB-CD2 4.42Å; K345-L351 HydrophobicContact CD-CD2 4.13Å; R348-L351 HydrophobicContact CB-CD2 4.27Å; G349-L351 PolarHBondContact O-N 3.18Å; G349-L351 VanDerWaalsContact O-N 3.14Å; L351-M356 HydrophobicContact CB-CE 4.27Å; L351-M356 HydrophobicContact CB-CG 4.1Å; L351-M356 HydrophobicContact CB-SD 3.87Å; L351-M356 HydrophobicContact CD1-CG 4.27Å; L351-M356 HydrophobicContact CD1-SD 4.38Å; L351-M356 VanDerWaalsContact O-CE 3.26Å; L351-M356 WeakPolarHBondContact O-CE 3.13Å
352P87.3Confident91.4Very high68 Ų6864.2 Ų64.244%0.44235%0.346SS..  trans-71150.1173.932.4-36.2000110.6N354 E355P352-N354 VanDerWaalsContact CB-OD1 3.3Å; P352-N354 WeakPolarHBondContact CB-OD1 3.21Å; P352-N354 VanDerWaalsContact CG-OD1 3.28Å; P352-N354 WeakPolarHBondContact CG-OD1 3.31Å; P352-N354 PolarHBondContact O-N 3.08Å; P352-N354 VanDerWaalsContact O-N 3.11Å; P352-E355 HydrophobicContact CG-CB 4.24Å; P352-E355 HydrophobicContact CG-CG 3.87Å; P352-E355 PolarHBondContact O-N 3.42Å
353T86.4Confident91.5Very high73 Ų7357.5 Ų57.545%0.44832%0.317SS..G310 helixtrans-55.6-32.2-174.6-45.50000113.4L308 E355 M356L308-T353 HydrophobicContact CD2-CG2 4.3Å; T353-E355 PolarHBondContact O-N 3.34Å; T353-M356 PolarHBondContact O-N 3.31Å; T353-M356 VanDerWaalsContact O-O 3.11Å
354N89.3Confident91.6Very high132 Ų13253 Ų5371%0.70628%0.28SS*.G310 helixtrans-72.1-11.3178.266.9-21.8000114.4P352P352-N354 VanDerWaalsContact CB-OD1 3.3Å; P352-N354 WeakPolarHBondContact CB-OD1 3.21Å; P352-N354 VanDerWaalsContact CG-OD1 3.28Å; P352-N354 WeakPolarHBondContact CG-OD1 3.31Å; P352-N354 PolarHBondContact O-N 3.08Å; P352-N354 VanDerWaalsContact O-N 3.11Å
355E91.7Very high91.6Very high62 Ų6248.8 Ų48.829%0.2925%0.245SC..G310 helixtrans-98.96.4173-67-165.3142.400113.2L341 K345 P352 T353L341-E355 WeakPolarHBondContact CG-O 3.19Å; L341-E355 PolarHBondContact N-O 2.87Å; K345-E355 IonicContact NZ-OE1 3.93Å; K345-E355 PolarHBondContact NZ-OE1 3.43Å; K345-E355 IonicContact NZ-OE2 2.8Å; K345-E355 PolarHBondContact NZ-OE2 2.75Å; P352-E355 HydrophobicContact CG-CB 4.24Å; P352-E355 HydrophobicContact CG-CG 3.87Å; P352-E355 PolarHBondContact O-N 3.42Å; T353-E355 PolarHBondContact O-N 3.34Å
356M93.8Very high91.6Very high22 Ų2247.8 Ų47.811%0.10824%0.242CC..EExtended strand (participates in β ladder)trans-129.3127.7-176.4-63.5-174-67.600112.2R197 A338 T339 L351 T353 H358R197-M356 HydrophobicContact CG-SD 4.43Å; A338-M356 HydrophobicContact CB-CB 4.46Å; A338-M356 HydrophobicContact CB-CE 4.44Å; A338-M356 HydrophobicContact CB-SD 3.93Å; T339-M356 CarbonylContact O-C 3.51Å; T339-M356 VanDerWaalsContact O-CA 3.3Å; T339-M356 WeakPolarHBondContact O-CA 3.35Å; L351-M356 HydrophobicContact CB-CE 4.27Å; L351-M356 HydrophobicContact CB-CG 4.1Å; L351-M356 HydrophobicContact CB-SD 3.87Å; L351-M356 HydrophobicContact CD1-CG 4.27Å; L351-M356 HydrophobicContact CD1-SD 4.38Å; L351-M356 VanDerWaalsContact O-CE 3.26Å; L351-M356 WeakPolarHBondContact O-CE 3.13Å; T353-M356 PolarHBondContact O-N 3.31Å; T353-M356 VanDerWaalsContact O-O 3.11Å; M356-H358 PolarHBondContact O-ND1 3.08Å; M356-H358 VanDerWaalsContact O-ND1 3.11Å
357E95.8Very high91.6Very high57 Ų5755.7 Ų55.727%0.26627%0.265SS..EExtended strand (participates in β ladder)trans-79.6126.9166-173.8169.3-115.900109.4T339 L341 W359 K376T339-E357 PolarHBondContact N-O 2.8Å; T339-E357 PolarHBondContact O-N 3.45Å; L341-E357 HydrophobicContact CD2-CB 3.91Å; E357-W359 VanDerWaalsContact OE2-CZ2 3.23Å; E357-W359 WeakPolarHBondContact OE2-CZ2 3.49Å; E357-W359 PolarHBondContact OE2-NE1 3.4Å; E357-W359 VanDerWaalsContact OE2-NE1 3.13Å; E357-K376 VanDerWaalsContact CD-NZ 3.31Å; E357-K376 WeakPolarHBondContact OE1-CD 3.29Å; E357-K376 VanDerWaalsContact OE1-CE 3.27Å; E357-K376 WeakPolarHBondContact OE1-CE 3.38Å; E357-K376 IonicContact OE1-NZ 3.67Å; E357-K376 PolarHBondContact OE1-NZ 3.31Å; E357-K376 IonicContact OE2-NZ 3.83Å; E357-K376 PolarHBondContact OE2-NZ 3.28Å
358H97.3Very high91.5Very high21 Ų2156 Ų5610%0.09727%0.269CS..EExtended strand (participates in β ladder)trans-98.9131.8-179.3-70.568.8000110.6L308 E337 M356 W377L308-H358 HydrophobicContact CD1-CB 4.05Å; L308-H358 HydrophobicContact CD2-CB 4.11Å; E337-H358 WeakPolarHBondContact O-CA 3.24Å; M356-H358 PolarHBondContact O-ND1 3.08Å; M356-H358 VanDerWaalsContact O-ND1 3.11Å; H358-W377 HydrophobicContact CB-CB 3.92Å; H358-W377 WeakPolarHBondContact O-CB 3.22Å; H358-W377 PolarHBondContact O-N 3.47Å
359W97.9Very high91.5Very high68 Ų6853.9 Ų53.926%0.25827%0.265SS..EExtended strand (participates in β ladder)trans-119.7130.3179.6-65.683.9000108.9F336 E337 E357 C374 K375 K376F336-W359 CarbonylContact C-O 3.5Å; F336-W359 WeakPolarHBondContact CA-O 3.27Å; F336-W359 VanDerWaalsContact CB-O 3.31Å; F336-W359 WeakPolarHBondContact CB-O 3.39Å; E337-W359 HydrophobicContact CB-CB 4.39Å; E337-W359 PolarHBondContact N-O 2.98Å; E337-W359 PolarHBondContact O-N 2.71Å; E357-W359 VanDerWaalsContact OE2-CZ2 3.23Å; E357-W359 WeakPolarHBondContact OE2-CZ2 3.49Å; E357-W359 PolarHBondContact OE2-NE1 3.4Å; E357-W359 VanDerWaalsContact OE2-NE1 3.13Å; W359-C374 VanDerWaalsContact CE3-SG 3.51Å; W359-K375 WeakPolarHBondContact CA-O 3.45Å; W359-K376 HydrophobicContact CD2-CG 4.01Å; W359-K376 HydrophobicContact CE3-CG 3.71Å; W359-K376 HydrophobicContact CH2-CD 4.13Å; W359-K376 HydrophobicContact CH2-CG 3.7Å; W359-K376 HydrophobicContact CZ2-CD 4.26Å; W359-K376 HydrophobicContact CZ2-CG 3.94Å; W359-K376 HydrophobicContact CZ3-CD 4.44Å; W359-K376 HydrophobicContact CZ3-CG 3.55Å
360I98.1Very high92Very high1 Ų156.4 Ų56.41%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-100.4128.1177.1-51.6-55.6000108.6L308 L311 P333 F336 I362 K375 W377 I380L308-I360 HydrophobicContact CD1-CD1 4.43Å; L311-I360 HydrophobicContact CD2-CD1 3.87Å; L311-I360 HydrophobicContact CD2-CG1 4.29Å; P333-I360 HydrophobicContact CB-CG2 4.01Å; P333-I360 HydrophobicContact CG-CG2 4.49Å; F336-I360 HydrophobicContact CB-CD1 4Å; I360-I362 HydrophobicContact CB-CG1 4.46Å; I360-I362 HydrophobicContact CG2-CD1 4.49Å; I360-I362 HydrophobicContact CG2-CG1 3.93Å; I360-K375 PolarHBondContact N-O 3.27Å; I360-K375 PolarHBondContact O-N 3.48Å; I360-W377 HydrophobicContact CD1-CE3 4.29Å; I360-W377 HydrophobicContact CG1-CE3 4.05Å; I360-I380 HydrophobicContact CB-CD1 3.9Å; I360-I380 HydrophobicContact CG1-CD1 3.72Å
361L97.7Very high92.4Very high33 Ų3353.5 Ų53.517%0.17327%0.269CS..EExtended strand (participates in β ladder)trans-88.2126.4173-55.4177.5000108.3L200 P333 V334 G335 C374L200-L361 HydrophobicContact CB-CD1 4.15Å; L200-L361 HydrophobicContact CD1-CD1 4.07Å; L200-L361 HydrophobicContact CG-CD1 4.48Å; P333-L361 CarbonylContact C-O 3.58Å; P333-L361 WeakPolarHBondContact CA-O 3.41Å; V334-L361 HydrophobicContact CG2-CB 4.06Å; V334-L361 WeakPolarHBondContact CG2-O 3.46Å; V334-L361 PolarHBondContact N-O 2.93Å; G335-L361 PolarHBondContact N-O 3.03Å; G335-L361 PolarHBondContact O-N 2.88Å; L361-C374 HydrophobicContact CD2-CB 4.23Å
362I96.9Very high92.8Very high4 Ų454.6 Ų54.62%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-127.6116.5-167.6-61.5176.8000109.3Y324 F331 C332 I360 I372 H373 K375 I380Y324-I362 HydrophobicContact CD1-CD1 4.26Å; F331-I362 HydrophobicContact CB-CG2 3.4Å; F331-I362 VanDerWaalsContact CB-CG2 3.4Å; F331-I362 HydrophobicContact CD1-CG2 3.75Å; F331-I362 HydrophobicContact CG-CG2 3.88Å; C332-I362 CarbonylContact O-C 3.5Å; I360-I362 HydrophobicContact CB-CG1 4.46Å; I360-I362 HydrophobicContact CG2-CD1 4.49Å; I360-I362 HydrophobicContact CG2-CG1 3.93Å; I362-I372 CarbonylContact O-C 3.5Å; I362-I372 VanDerWaalsContact O-CA 3.3Å; I362-I372 WeakPolarHBondContact O-CA 3.41Å; I362-H373 HydrophobicContact CB-CB 4.33Å; I362-H373 PolarHBondContact N-O 3.19Å; I362-H373 PolarHBondContact O-N 3.09Å; I362-K375 HydrophobicContact CD1-CB 4.08Å; I362-K375 HydrophobicContact CD1-CG 3.99Å; I362-I380 HydrophobicContact CD1-CD1 4.45Å
363G96.1Very high93.1Very high0 Ų053.5 Ų53.50%026%0.263CS..EExtended strand (participates in β ladder)trans-77.2137.1170.100000111.8C332C332-G363 PolarHBondContact N-O 3.01Å; C332-G363 VanDerWaalsContact N-O 3.11Å; C332-G363 PolarHBondContact O-N 2.87Å
364E93.9Very high93.5Very high0 Ų053.1 Ų53.10%026%0.263CS..  trans-120.1109.7-171167.758.5-78.800111.5R210 H329 F331 S366 H369 A370 A371R210-E364 WeakPolarHBondContact CD-O 3.21Å; R210-E364 PolarHBondContact NE-O 3.11Å; R210-E364 VanDerWaalsContact NE-O 3.13Å; H329-E364 IonicContact CD2-OE2 3.27Å; H329-E364 IonicContact CE1-OE1 2.91Å; H329-E364 PolarHBondContact CE1-OE1 2.68Å; H329-E364 IonicContact CE1-OE2 2.68Å; H329-E364 VanDerWaalsContact NE2-CD 3.26Å; H329-E364 IonicContact NE2-OE1 2.83Å; H329-E364 PolarHBondContact NE2-OE1 3.18Å; H329-E364 IonicContact NE2-OE2 3.42Å; H329-E364 PolarHBondContact NE2-OE2 3.36Å; F331-E364 VanDerWaalsContact CE1-OE2 3.24Å; F331-E364 WeakPolarHBondContact CE1-OE2 3.49Å; E364-S366 VanDerWaalsContact CD-CB 3.48Å; E364-S366 PolarHBondContact O-N 3.2Å; E364-S366 WeakPolarHBondContact OE1-CB 3.47Å; E364-S366 PolarHBondContact OE1-N 3.19Å; E364-H369 HydrophobicContact CG-CB 3.68Å; E364-H369 IonicContact OE2-CD2 3.52Å; E364-H369 PolarHBondContact OE2-CD2 3.15Å; E364-H369 VanDerWaalsContact OE2-CD2 3.27Å; E364-H369 IonicContact OE2-CG 2.93Å; E364-A370 WeakPolarHBondContact CB-O 3.46Å; E364-A370 WeakPolarHBondContact CG-O 3.1Å; E364-A371 PolarHBondContact N-O 3.05Å
365P92.3Very high93.8Very high0 Ų048.2 Ų48.20%024%0.235CC..  trans-61-24176.1-25.135.7000114.6R210 Q212R210-P365 WeakPolarHBondContact CG-O 3.49Å; Q212-P365 HydrophobicContact CB-CB 4.11Å; Q212-P365 HydrophobicContact CG-CB 4.32Å; Q212-P365 PolarHBondContact N-O 3.31Å
366S90.6Very high94.1Very high12 Ų1248.2 Ų48.28%0.08424%0.235CC..  trans-71.7129-178.8-175.20000113.1R210 E364 K368R210-S366 PolarHBondContact NE-O 2.83Å; R210-S366 PolarHBondContact NH2-O 2.97Å; E364-S366 VanDerWaalsContact CD-CB 3.48Å; E364-S366 PolarHBondContact O-N 3.2Å; E364-S366 WeakPolarHBondContact OE1-CB 3.47Å; E364-S366 PolarHBondContact OE1-N 3.19Å; S366-K368 PolarHBondContact O-N 3.4Å; S366-K368 PolarHBondContact OG-N 3.47Å
367R89.9Confident94.3Very high200 Ų20047.8 Ų47.876%0.75523%0.232SC*.THydrogen-bonded Turntrans-70.5-9.8168.769.1178.5-178.8126.8-6.5114.6P211P211-R367 HydrophobicContact CB-CB 4.01Å; P211-R367 HydrophobicContact CB-CG 4.34Å
368K88.1Confident94.3Very high176 Ų17650.8 Ų50.877%0.76525%0.247SC*.THydrogen-bonded Turntrans-84.1-10.5-178.3-62.9-171.9174-170.40114.2S366S366-K368 PolarHBondContact O-N 3.4Å; S366-K368 PolarHBondContact OG-N 3.47Å
369H87.4Confident94.3Very high80 Ų8052 Ų5237%0.3726%0.255SS..SBendtrans-124.4177.9-171.8-69.3-49.9000110.9R210 E364 R395R210-H369 PolarHBondContact NH2-O 2.67Å; E364-H369 HydrophobicContact CG-CB 3.68Å; E364-H369 IonicContact OE2-CD2 3.52Å; E364-H369 PolarHBondContact OE2-CD2 3.15Å; E364-H369 VanDerWaalsContact OE2-CD2 3.27Å; E364-H369 IonicContact OE2-CG 2.93Å; H369-R395 VanDerWaalsContact NE2-CZ 3.3Å; H369-R395 PolarHBondContact NE2-NH2 3.34Å
370A91.4Very high94.2Very high54 Ų5449 Ų4945%0.44624%0.243SC..  trans-64.1153173.200000110.7E364 I372E364-A370 WeakPolarHBondContact CB-O 3.46Å; E364-A370 WeakPolarHBondContact CG-O 3.1Å; A370-I372 VanDerWaalsContact C-N 3.31Å; A370-I372 PolarHBondContact O-N 3.11Å
371A92.3Very high94.2Very high34 Ų3449.7 Ų49.728%0.28125%0.248SC..SBendtrans-66.4-35.6179.800000112.8E364E364-A371 PolarHBondContact N-O 3.05Å
372I93.9Very high94.1Very high50 Ų5050.6 Ų50.626%0.25626%0.255SS..EExtended strand (participates in β ladder)trans-128.7133175-61.6176.4000107.5W205 I362 A370W205-I372 HydrophobicContact CD2-CD1 3.82Å; W205-I372 HydrophobicContact CE3-CD1 4.16Å; W205-I372 HydrophobicContact CG-CD1 4.28Å; W205-I372 HydrophobicContact CH2-CD1 4.27Å; W205-I372 HydrophobicContact CZ2-CD1 3.93Å; W205-I372 HydrophobicContact CZ2-CG1 4.41Å; W205-I372 HydrophobicContact CZ3-CD1 4.37Å; I362-I372 CarbonylContact O-C 3.5Å; I362-I372 VanDerWaalsContact O-CA 3.3Å; I362-I372 WeakPolarHBondContact O-CA 3.41Å; A370-I372 VanDerWaalsContact C-N 3.31Å; A370-I372 PolarHBondContact O-N 3.11Å
373H93.4Very high94.1Very high44 Ų4450.4 Ų50.420%0.20425%0.254CS..EExtended strand (participates in β ladder)trans-104.4149.5165-63.7-79.3000110.3I362I362-H373 HydrophobicContact CB-CB 4.33Å; I362-H373 PolarHBondContact N-O 3.19Å; I362-H373 PolarHBondContact O-N 3.09Å
374C95.4Very high94Very high65 Ų6550.4 Ų50.444%0.43925%0.254SS..EExtended strand (participates in β ladder)trans-113.9125.4167.8-166.40000107.7W359 L361W359-C374 VanDerWaalsContact CE3-SG 3.51Å; L361-C374 HydrophobicContact CD2-CB 4.23Å
375K96.4Very high94.1Very high29 Ų2953.3 Ų53.313%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-132.8136.6-178-67.2-69.1173.7169.90110W359 I360 I362 I380 I394 R395 T397W359-K375 WeakPolarHBondContact CA-O 3.45Å; I360-K375 PolarHBondContact N-O 3.27Å; I360-K375 PolarHBondContact O-N 3.48Å; I362-K375 HydrophobicContact CD1-CB 4.08Å; I362-K375 HydrophobicContact CD1-CG 3.99Å; K375-I380 HydrophobicContact CB-CD1 4.2Å; K375-I380 HydrophobicContact CB-CG1 4.34Å; K375-I394 HydrophobicContact CB-CD1 4.48Å; K375-I394 HydrophobicContact CD-CD1 4.15Å; K375-I394 HydrophobicContact CD-CG1 4.39Å; K375-I394 WeakPolarHBondContact CE-O 3.41Å; K375-I394 PolarHBondContact NZ-O 2.78Å; K375-R395 PolarHBondContact NZ-O 3.34Å; K375-T397 PolarHBondContact NZ-OG1 2.83Å
376K97Very high94.1Very high63 Ų6354.1 Ų54.127%0.27427%0.274SS..EExtended strand (participates in β ladder)trans-66.3142.2176.9-59.2-176.9169.8-155.50109.6E357 W359 M378 D379 I380E357-K376 VanDerWaalsContact CD-NZ 3.31Å; E357-K376 WeakPolarHBondContact OE1-CD 3.29Å; E357-K376 VanDerWaalsContact OE1-CE 3.27Å; E357-K376 WeakPolarHBondContact OE1-CE 3.38Å; E357-K376 IonicContact OE1-NZ 3.67Å; E357-K376 PolarHBondContact OE1-NZ 3.31Å; E357-K376 IonicContact OE2-NZ 3.83Å; E357-K376 PolarHBondContact OE2-NZ 3.28Å; W359-K376 HydrophobicContact CD2-CG 4.01Å; W359-K376 HydrophobicContact CE3-CG 3.71Å; W359-K376 HydrophobicContact CH2-CD 4.13Å; W359-K376 HydrophobicContact CH2-CG 3.7Å; W359-K376 HydrophobicContact CZ2-CD 4.26Å; W359-K376 HydrophobicContact CZ2-CG 3.94Å; W359-K376 HydrophobicContact CZ3-CD 4.44Å; W359-K376 HydrophobicContact CZ3-CG 3.55Å; K376-M378 PolarHBondContact O-N 3.27Å; K376-D379 HydrophobicContact CB-CB 4.42Å; K376-D379 WeakPolarHBondContact CB-OD2 3.32Å; K376-D379 PolarHBondContact O-N 3.3Å; K376-D379 VanDerWaalsContact O-N 3.15Å; K376-I380 PolarHBondContact O-N 3.18Å
377W97.6Very high94.1Very high13 Ų1357.1 Ų57.15%0.04929%0.287CS..Hα-helixtrans-56.8-39.6173.3178.2-113.6000111.4Y291 A304 A307 L308 L311 H358 I360 D379 I380 V381 I416Y291-W377 HydrophobicContact CD1-CH2 4.13Å; Y291-W377 HydrophobicContact CD1-CZ2 4.39Å; Y291-W377 HydrophobicContact CE1-CH2 4.47Å; Y291-W377 HydrophobicContact CE1-CZ2 4.35Å; A304-W377 WeakPolarHBondContact O-CZ2 3.39Å; A304-W377 PolarHBondContact O-NE1 3.18Å; A307-W377 HydrophobicContact CB-CH2 4.12Å; A307-W377 HydrophobicContact CB-CZ2 4.02Å; L308-W377 HydrophobicContact CB-CD2 4.24Å; L308-W377 HydrophobicContact CB-CZ2 3.96Å; L308-W377 HydrophobicContact CD1-CB 4.37Å; L308-W377 HydrophobicContact CD1-CD2 3.79Å; L308-W377 HydrophobicContact CD1-CE3 4.16Å; L308-W377 HydrophobicContact CD1-CG 3.85Å; L308-W377 HydrophobicContact CD2-CG 4.23Å; L308-W377 HydrophobicContact CG-CD2 4.45Å; L308-W377 HydrophobicContact CG-CG 4.44Å; L311-W377 HydrophobicContact CD2-CE3 4.28Å; L311-W377 HydrophobicContact CD2-CH2 4.45Å; L311-W377 HydrophobicContact CD2-CZ3 3.68Å; H358-W377 HydrophobicContact CB-CB 3.92Å; H358-W377 WeakPolarHBondContact O-CB 3.22Å; H358-W377 PolarHBondContact O-N 3.47Å; I360-W377 HydrophobicContact CD1-CE3 4.29Å; I360-W377 HydrophobicContact CG1-CE3 4.05Å; W377-D379 VanDerWaalsContact C-N 3.3Å; W377-D379 PolarHBondContact O-N 2.92Å; W377-I380 HydrophobicContact CE3-CB 4.36Å; W377-I380 HydrophobicContact CE3-CD1 4.42Å; W377-I380 HydrophobicContact CE3-CG2 4.3Å; W377-I380 HydrophobicContact CZ3-CG2 4.05Å; W377-I380 WeakPolarHBondContact O-CB 3.44Å; W377-I380 PolarHBondContact O-N 3.22Å; W377-V381 HydrophobicContact CD2-CG2 3.98Å; W377-V381 HydrophobicContact CG-CG2 4.23Å; W377-V381 HydrophobicContact CZ2-CG2 3.71Å; W377-V381 VanDerWaalsContact NE1-CG2 3.29Å; W377-V381 VanDerWaalsContact O-CG2 3.29Å; W377-V381 WeakPolarHBondContact O-CG2 3.16Å; W377-V381 PolarHBondContact O-N 3.08Å; W377-I416 HydrophobicContact CH2-CD1 3.81Å; W377-I416 HydrophobicContact CZ3-CD1 3.67Å
378M96.3Very high94.1Very high119 Ų11949.4 Ų49.459%0.58626%0.26SS*.Hα-helixtrans-64.6-32.6179.7-161.357.76200113.1K376 T382K376-M378 PolarHBondContact O-N 3.27Å; M378-T382 WeakPolarHBondContact O-CB 3.46Å; M378-T382 PolarHBondContact O-N 2.96Å; M378-T382 PolarHBondContact O-OG1 3.33Å
379D96.9Very high94.2Very high48 Ų4842 Ų4226%0.25723%0.23SC..Hα-helixtrans-70.2-42.3174.8-56-24.8000110.2K376 W377 T382 D383 L392 I394 T397K376-D379 HydrophobicContact CB-CB 4.42Å; K376-D379 WeakPolarHBondContact CB-OD2 3.32Å; K376-D379 PolarHBondContact O-N 3.3Å; K376-D379 VanDerWaalsContact O-N 3.15Å; W377-D379 VanDerWaalsContact C-N 3.3Å; W377-D379 PolarHBondContact O-N 2.92Å; D379-T382 PolarHBondContact O-N 2.95Å; D379-D383 PolarHBondContact O-N 2.26Å; D379-L392 HydrophobicContact CB-CD2 4.31Å; D379-L392 WeakPolarHBondContact O-CD2 3.41Å; D379-I394 HydrophobicContact CB-CD1 3.44Å; D379-I394 VanDerWaalsContact CB-CD1 3.44Å; D379-T397 HydrophobicContact CB-CG2 4.3Å
380I97.4Very high94.5Very high3 Ų341 Ų412%0.01523%0.228CC..Hα-helixtrans-61.8-43.9174.6-64.3168.9000110.6Y324 I360 I362 K375 K376 W377 T382 D383 L384 I394 I416Y324-I380 HydrophobicContact CE1-CG1 4.03Å; Y324-I380 HydrophobicContact CE1-CG2 4.22Å; Y324-I380 HydrophobicContact CE2-CG2 4.21Å; I360-I380 HydrophobicContact CB-CD1 3.9Å; I360-I380 HydrophobicContact CG1-CD1 3.72Å; I362-I380 HydrophobicContact CD1-CD1 4.45Å; K375-I380 HydrophobicContact CB-CD1 4.2Å; K375-I380 HydrophobicContact CB-CG1 4.34Å; K376-I380 PolarHBondContact O-N 3.18Å; W377-I380 HydrophobicContact CE3-CB 4.36Å; W377-I380 HydrophobicContact CE3-CD1 4.42Å; W377-I380 HydrophobicContact CE3-CG2 4.3Å; W377-I380 HydrophobicContact CZ3-CG2 4.05Å; W377-I380 WeakPolarHBondContact O-CB 3.44Å; W377-I380 PolarHBondContact O-N 3.22Å; I380-T382 VanDerWaalsContact C-N 3.32Å; I380-T382 PolarHBondContact O-N 3.25Å; I380-D383 PolarHBondContact O-N 3.41Å; I380-L384 HydrophobicContact CG2-CD1 3.86Å; I380-L384 HydrophobicContact CG2-CG 4.4Å; I380-L384 WeakPolarHBondContact O-CB 3.16Å; I380-L384 VanDerWaalsContact O-CG 3.22Å; I380-L384 WeakPolarHBondContact O-CG 3.23Å; I380-L384 PolarHBondContact O-N 3.32Å; I380-I394 HydrophobicContact CG1-CD1 4.13Å; I380-I394 HydrophobicContact CG1-CG1 4.29Å; I380-I416 HydrophobicContact CG2-CD1 4.23Å
381V96.8Very high94.6Very high16 Ų1640.5 Ų40.510%0.09722%0.215CC..Hα-helixtrans-60.4-43.4174.5170.50000110.6Y291 A304 W377 L384 N385Y291-V381 HydrophobicContact CE1-CG2 4.47Å; A304-V381 HydrophobicContact CB-CG1 3.91Å; A304-V381 HydrophobicContact CB-CG2 3.74Å; W377-V381 HydrophobicContact CD2-CG2 3.98Å; W377-V381 HydrophobicContact CG-CG2 4.23Å; W377-V381 HydrophobicContact CZ2-CG2 3.71Å; W377-V381 VanDerWaalsContact NE1-CG2 3.29Å; W377-V381 VanDerWaalsContact O-CG2 3.29Å; W377-V381 WeakPolarHBondContact O-CG2 3.16Å; W377-V381 PolarHBondContact O-N 3.08Å; V381-L384 PolarHBondContact O-N 3.07Å; V381-N385 WeakPolarHBondContact CG1-ND2 3.43Å; V381-N385 WeakPolarHBondContact O-CB 3.49Å; V381-N385 PolarHBondContact O-N 3.15Å; V381-N385 PolarHBondContact O-ND2 3.37Å
382T96.3Very high94.7Very high52 Ų5239.4 Ų39.432%0.31920%0.204SC..Hα-helixtrans-62.7-48.4177.8-57.80000111.2M378 D379 I380 L384 N385 T386 L392M378-T382 WeakPolarHBondContact O-CB 3.46Å; M378-T382 PolarHBondContact O-N 2.96Å; M378-T382 PolarHBondContact O-OG1 3.33Å; D379-T382 PolarHBondContact O-N 2.95Å; I380-T382 VanDerWaalsContact C-N 3.32Å; I380-T382 PolarHBondContact O-N 3.25Å; T382-L384 VanDerWaalsContact C-N 3.33Å; T382-L384 PolarHBondContact O-N 2.9Å; T382-N385 PolarHBondContact O-N 3.31Å; T382-T386 HydrophobicContact CG2-CG2 4.23Å; T382-T386 WeakPolarHBondContact O-CG2 3.12Å; T382-T386 PolarHBondContact O-N 2.71Å; T382-L392 HydrophobicContact CG2-CB 4.24Å; T382-L392 HydrophobicContact CG2-CD2 3.83Å
383D95.7Very high94.7Very high0 Ų037.9 Ų37.90%020%0.196CC..Hα-helixtrans-55-44.7174.3170.386.6000112.5Y324 C326 D379 I380 T386 L392 I394 N412 H414Y324-D383 PolarHBondContact OH-OD2 3.34Å; C326-D383 WeakPolarHBondContact CB-OD2 3.39Å; D379-D383 PolarHBondContact O-N 2.26Å; I380-D383 PolarHBondContact O-N 3.41Å; D383-T386 PolarHBondContact O-OG1 3.01Å; D383-L392 HydrophobicContact CB-CB 4.38Å; D383-L392 HydrophobicContact CB-CD2 4.46Å; D383-L392 VanDerWaalsContact OD1-O 3.12Å; D383-I394 HydrophobicContact CB-CB 4.01Å; D383-N412 PolarHBondContact O-ND2 2.82Å; D383-H414 IonicContact OD1-CE1 2.71Å; D383-H414 PolarHBondContact OD1-CE1 3.43Å; D383-H414 IonicContact OD1-ND1 2.66Å; D383-H414 PolarHBondContact OD1-ND1 3.12Å; D383-H414 IonicContact OD2-CE1 3.11Å; D383-H414 IonicContact OD2-CG 2.76Å; D383-H414 IonicContact OD2-ND1 3.71Å; D383-H414 PolarHBondContact OD2-ND1 3Å
384L95.3Very high94.7Very high1 Ų135.9 Ų35.91%0.00519%0.187CC..Hα-helixtrans-73.3-27.8-179.6-68.4176.6000114.4Y291 P293 Y324 I380 V381 T382 N412 H414 I416Y291-L384 HydrophobicContact CD1-CD1 3.39Å; Y291-L384 HydrophobicContact CE1-CB 4.29Å; Y291-L384 HydrophobicContact CE1-CD1 3.71Å; Y291-L384 HydrophobicContact CG-CD1 4.45Å; P293-L384 HydrophobicContact CG-CB 4.19Å; Y324-L384 HydrophobicContact CE2-CD2 3.99Å; Y324-L384 HydrophobicContact CE2-CG 4.29Å; I380-L384 HydrophobicContact CG2-CD1 3.86Å; I380-L384 HydrophobicContact CG2-CG 4.4Å; I380-L384 WeakPolarHBondContact O-CB 3.16Å; I380-L384 VanDerWaalsContact O-CG 3.22Å; I380-L384 WeakPolarHBondContact O-CG 3.23Å; I380-L384 PolarHBondContact O-N 3.32Å; V381-L384 PolarHBondContact O-N 3.07Å; T382-L384 VanDerWaalsContact C-N 3.33Å; T382-L384 PolarHBondContact O-N 2.9Å; L384-N412 PolarHBondContact O-ND2 3.17Å; L384-H414 HydrophobicContact CD2-CB 3.57Å; L384-I416 HydrophobicContact CD1-CD1 4.16Å; L384-I416 HydrophobicContact CD1-CG1 4.16Å
385N95Very high94.5Very high61 Ų6135.9 Ų35.933%0.32618%0.178SC..Hα-helixtrans-92.5-16.6177.8-73.9-85.6000113.3Y291 P293 H294 V381 T382Y291-N385 PolarHBondContact OH-ND2 3.28Å; P293-N385 VanDerWaalsContact CB-OD1 3.23Å; P293-N385 WeakPolarHBondContact CB-OD1 3.5Å; P293-N385 WeakPolarHBondContact CG-OD1 3.21Å; H294-N385 PolarHBondContact CD2-O 3.38Å; H294-N385 PolarHBondContact NE2-O 2.83Å; V381-N385 WeakPolarHBondContact CG1-ND2 3.43Å; V381-N385 WeakPolarHBondContact O-CB 3.49Å; V381-N385 PolarHBondContact O-N 3.15Å; V381-N385 PolarHBondContact O-ND2 3.37Å; T382-N385 PolarHBondContact O-N 3.31Å
386T93.1Very high94.2Very high16 Ų1636.9 Ų36.910%0.09818%0.183CC..  trans-63.1150.9170.660.70000111.9T382 D383 L392 L401 N412T382-T386 HydrophobicContact CG2-CG2 4.23Å; T382-T386 WeakPolarHBondContact O-CG2 3.12Å; T382-T386 PolarHBondContact O-N 2.71Å; D383-T386 PolarHBondContact O-OG1 3.01Å; T386-L392 HydrophobicContact CG2-CB 4.4Å; T386-L401 HydrophobicContact CG2-CD1 3.96Å; T386-N412 PolarHBondContact O-ND2 3.02Å
387Q91.1Very high94Very high75 Ų7536 Ų3635%0.3518%0.183SC..  trans-145.1145.7178.6-67.6-172.27800109.5H294 D390H294-Q387 HydrophobicContact CB-CG 3.83Å; H294-Q387 VanDerWaalsContact CD2-CG 3.46Å; H294-Q387 WeakPolarHBondContact CD2-CG 3.39Å; H294-Q387 PolarHBondContact CD2-NE2 2.74Å; H294-Q387 VanDerWaalsContact CD2-NE2 3.33Å; H294-Q387 VanDerWaalsContact CG-CD 3.48Å; Q387-D390 CarbonylContact C-O 3.58Å; Q387-D390 PolarHBondContact N-O 3.33Å; Q387-D390 PolarHBondContact O-N 3.46Å
388N88.8Confident93.7Very high38 Ų3841.7 Ų41.720%0.20321%0.21CC..THydrogen-bonded Turntrans-51.4138.7-177.9-58-66.9000111.7R404 T406 K408 G410 G411N388-R404 PolarHBondContact OD1-NH1 3.41Å; N388-T406 HydrophobicContact CB-CG2 4.12Å; N388-K408 WeakPolarHBondContact CB-O 3.46Å; N388-G410 PolarHBondContact ND2-O 3.11Å; N388-G410 VanDerWaalsContact ND2-O 3.08Å; N388-G410 PolarHBondContact O-N 3.45Å; N388-G411 PolarHBondContact ND2-O 3.35Å
389P91.5Very high93.6Very high21 Ų2142.6 Ų42.614%0.13621%0.207CC..THydrogen-bonded Turncis-80.2-168.935.2-38000114.1R403 R404 T406P389-R403 HydrophobicContact CB-CG 3.81Å; P389-R403 HydrophobicContact CG-CG 4.01Å; P389-R404 WeakPolarHBondContact CB-O 3.48Å; P389-R404 WeakPolarHBondContact O-CB 3.44Å; P389-R404 PolarHBondContact O-N 2.84Å; P389-T406 HydrophobicContact CB-CG2 4.25Å
390D93.3Very high93.4Very high59 Ų5941.7 Ų41.732%0.31621%0.21SC..EExtended strand (participates in β ladder)trans-83.5142.8-173-57.2-39.5000112Q387 L401 Q402 R403Q387-D390 CarbonylContact C-O 3.58Å; Q387-D390 PolarHBondContact N-O 3.33Å; Q387-D390 PolarHBondContact O-N 3.46Å; D390-L401 HydrophobicContact CB-CD2 4.21Å; D390-Q402 CarbonylContact C-O 3.55Å; D390-Q402 WeakPolarHBondContact CA-O 3.35Å; D390-R403 WeakPolarHBondContact OD1-CB 3.39Å; D390-R403 WeakPolarHBondContact OD1-CD 3.12Å; D390-R403 VanDerWaalsContact OD1-CG 3.22Å; D390-R403 WeakPolarHBondContact OD1-CG 3.41Å
391Y93.3Very high93.2Very high43 Ų4346.9 Ų46.917%0.16924%0.237CC..EExtended strand (participates in β ladder)trans-152.8146.1-179.372.9-72.2000111.7D393 Q402 R404Y391-D393 HydrophobicContact CE2-CB 4.26Å; Y391-Q402 HydrophobicContact CD1-CB 3.93Å; Y391-Q402 WeakPolarHBondContact CD1-O 3.06Å; Y391-Q402 HydrophobicContact CE1-CB 3.39Å; Y391-Q402 HydrophobicContact CE2-CB 4.22Å; Y391-Q402 PolarHBondContact N-O 3.12Å; Y391-Q402 PolarHBondContact O-N 3.2Å; Y391-Q402 PolarHBondContact OH-OE1 2.9Å; Y391-R404 HydrophobicContact CD1-CG 3.4Å; Y391-R404 VanDerWaalsContact CD1-CG 3.4Å; Y391-R404 HydrophobicContact CE1-CB 4.47Å; Y391-R404 HydrophobicContact CE1-CG 3.34Å; Y391-R404 HydrophobicContact CG-CG 4.29Å
392L94.4Very high93Very high12 Ų1248.2 Ų48.26%0.06324%0.242CC..EExtended strand (participates in β ladder)trans-94135.3159.5-179.361.8000108.3Q327 D379 T382 D383 T386 I394 G400Q327-L392 PolarHBondContact NE2-O 3.44Å; D379-L392 HydrophobicContact CB-CD2 4.31Å; D379-L392 WeakPolarHBondContact O-CD2 3.41Å; T382-L392 HydrophobicContact CG2-CB 4.24Å; T382-L392 HydrophobicContact CG2-CD2 3.83Å; D383-L392 HydrophobicContact CB-CB 4.38Å; D383-L392 HydrophobicContact CB-CD2 4.46Å; D383-L392 VanDerWaalsContact OD1-O 3.12Å; T386-L392 HydrophobicContact CG2-CB 4.4Å; L392-I394 PolarHBondContact O-N 2.91Å; L392-G400 WeakPolarHBondContact CD1-O 3.43Å
393D93.1Very high92.8Very high17 Ų1754.8 Ų54.89%0.09126%0.261CS..  trans-89.794164.8-173.2-13.9000108.2Y391 R395 H396 T397Y391-D393 HydrophobicContact CE2-CB 4.26Å; D393-R395 PolarHBondContact O-N 2.92Å; D393-R395 VanDerWaalsContact O-N 3.07Å; D393-R395 WeakPolarHBondContact OD1-CA 3.35Å; D393-R395 WeakPolarHBondContact OD1-CB 3.21Å; D393-R395 WeakPolarHBondContact OD1-CG 3.49Å; D393-R395 PolarHBondContact OD1-N 3.26Å; D393-H396 HydrophobicContact CB-CB 4.21Å; D393-H396 CarbonylContact O-C 3.17Å; D393-H396 WeakPolarHBondContact O-CA 3.41Å; D393-H396 PolarHBondContact O-N 3.08Å; D393-H396 PolarHBondContact OD1-N 2.77Å; D393-H396 IonicContact OD2-CD2 3.43Å; D393-H396 PolarHBondContact OD2-CD2 3.38Å; D393-H396 IonicContact OD2-CG 3.91Å; D393-T397 PolarHBondContact O-N 3.37Å; D393-T397 VanDerWaalsContact O-N 3.12Å
394I93.6Very high92.5Very high3 Ų359 Ų592%0.01528%0.276CS..SBendtrans-59.6-19178.7-168.957.3000113.2Y324 C326 K375 D379 I380 D383 L392 T397Y324-I394 HydrophobicContact CE1-CG1 4.11Å; Y324-I394 HydrophobicContact CE1-CG2 4.15Å; Y324-I394 WeakPolarHBondContact OH-CG2 3.39Å; C326-I394 HydrophobicContact CB-CG2 3.8Å; C326-I394 WeakPolarHBondContact SG-CG2 3.1Å; K375-I394 HydrophobicContact CB-CD1 4.48Å; K375-I394 HydrophobicContact CD-CD1 4.15Å; K375-I394 HydrophobicContact CD-CG1 4.39Å; K375-I394 WeakPolarHBondContact CE-O 3.41Å; K375-I394 PolarHBondContact NZ-O 2.78Å; D379-I394 HydrophobicContact CB-CD1 3.44Å; D379-I394 VanDerWaalsContact CB-CD1 3.44Å; I380-I394 HydrophobicContact CG1-CD1 4.13Å; I380-I394 HydrophobicContact CG1-CG1 4.29Å; D383-I394 HydrophobicContact CB-CB 4.01Å; L392-I394 PolarHBondContact O-N 2.91Å; I394-T397 HydrophobicContact CD1-CG2 3.92Å
395R91Very high92.2Very high64 Ų6469.8 Ų69.824%0.24232%0.323CS..SBendtrans-75.5-39.8175.4-45.2176.162.9176.86109.5Q327 H329 F331 H369 K375 D393Q327-R395 HydrophobicContact CB-CG 4.42Å; H329-R395 PolarHBondContact CD2-NH2 2.83Å; H329-R395 VanDerWaalsContact CD2-NH2 3.26Å; F331-R395 HydrophobicContact CE2-CG 4.41Å; F331-R395 HydrophobicContact CZ-CG 4.01Å; H369-R395 VanDerWaalsContact NE2-CZ 3.3Å; H369-R395 PolarHBondContact NE2-NH2 3.34Å; K375-R395 PolarHBondContact NZ-O 3.34Å; D393-R395 PolarHBondContact O-N 2.92Å; D393-R395 VanDerWaalsContact O-N 3.07Å; D393-R395 WeakPolarHBondContact OD1-CA 3.35Å; D393-R395 WeakPolarHBondContact OD1-CB 3.21Å; D393-R395 WeakPolarHBondContact OD1-CG 3.49Å; D393-R395 PolarHBondContact OD1-N 3.26Å
396H91.1Very high91.7Very high50 Ų5069.6 Ų69.623%0.23133%0.325CS..SBendtrans-11759.7-178.4-68.5-68.9000112.4D393 E398 R399D393-H396 HydrophobicContact CB-CB 4.21Å; D393-H396 CarbonylContact O-C 3.17Å; D393-H396 WeakPolarHBondContact O-CA 3.41Å; D393-H396 PolarHBondContact O-N 3.08Å; D393-H396 PolarHBondContact OD1-N 2.77Å; D393-H396 IonicContact OD2-CD2 3.43Å; D393-H396 PolarHBondContact OD2-CD2 3.38Å; D393-H396 IonicContact OD2-CG 3.91Å; H396-E398 WeakPolarHBondContact CA-OE1 3.27Å; H396-E398 WeakPolarHBondContact CA-OE2 3.45Å; H396-E398 VanDerWaalsContact CB-OE1 3.27Å; H396-E398 WeakPolarHBondContact CB-OE1 3.42Å; H396-E398 IonicContact CG-OE1 3.42Å; H396-E398 IonicContact ND1-OE1 2.83Å; H396-E398 PolarHBondContact ND1-OE1 2.83Å; H396-E398 PolarHBondContact O-N 3.22Å; H396-E398 VanDerWaalsContact O-N 3.12Å; H396-R399 HydrophobicContact CB-CG 4.09Å; H396-R399 WeakPolarHBondContact O-CB 3.19Å; H396-R399 PolarHBondContact O-N 2.91Å
397T92Very high91.2Very high45 Ų4579.1 Ų79.128%0.27637%0.365SS..G310 helixtrans-56.9-26.3-17835.60000113.3K375 D379 D393 I394 R399 G400K375-T397 PolarHBondContact NZ-OG1 2.83Å; D379-T397 HydrophobicContact CB-CG2 4.3Å; D393-T397 PolarHBondContact O-N 3.37Å; D393-T397 VanDerWaalsContact O-N 3.12Å; I394-T397 HydrophobicContact CD1-CG2 3.92Å; T397-R399 PolarHBondContact O-N 2.89Å; T397-G400 PolarHBondContact O-N 2.88Å; T397-G400 VanDerWaalsContact O-N 3.1Å
398E92.5Very high90.7Very high133 Ų13383.7 Ų83.762%0.62138%0.383SS*.G310 helixtrans-60.4-20.4174.469.6-76.717800114.2H396 G400H396-E398 WeakPolarHBondContact CA-OE1 3.27Å; H396-E398 WeakPolarHBondContact CA-OE2 3.45Å; H396-E398 VanDerWaalsContact CB-OE1 3.27Å; H396-E398 WeakPolarHBondContact CB-OE1 3.42Å; H396-E398 IonicContact CG-OE1 3.42Å; H396-E398 IonicContact ND1-OE1 2.83Å; H396-E398 PolarHBondContact ND1-OE1 2.83Å; H396-E398 PolarHBondContact O-N 3.22Å; H396-E398 VanDerWaalsContact O-N 3.12Å; E398-G400 VanDerWaalsContact C-N 3.33Å
399R92.9Very high90.5Very high137 Ų13787.6 Ų87.652%0.51741%0.408SS..G310 helixtrans-83.6-9.8177.6-59.2179.7-175.6178.90.3113.4H396 T397 Q402H396-R399 HydrophobicContact CB-CG 4.09Å; H396-R399 WeakPolarHBondContact O-CB 3.19Å; H396-R399 PolarHBondContact O-N 2.91Å; T397-R399 PolarHBondContact O-N 2.89Å; R399-Q402 HydrophobicContact CB-CG 4.34Å
400G92.8Very high90.1Very high30 Ų3087.9 Ų87.931%0.30942%0.416SS..  trans60.2-158.1-17600000113.7L392 T397 E398 Q402L392-G400 WeakPolarHBondContact CD1-O 3.43Å; T397-G400 PolarHBondContact O-N 2.88Å; T397-G400 VanDerWaalsContact O-N 3.1Å; E398-G400 VanDerWaalsContact C-N 3.33Å; G400-Q402 PolarHBondContact O-N 2.91Å
401L93.3Very high89.5Confident111 Ų11186.3 Ų86.358%0.58141%0.413SS*.EExtended strand (participates in β ladder)trans-75.5122177.7-169.8128.9000110.1T386 D390T386-L401 HydrophobicContact CG2-CD1 3.96Å; D390-L401 HydrophobicContact CB-CD2 4.21Å
402Q92.9Very high89.2Confident44 Ų4485 Ų8521%0.20641%0.409CS..EExtended strand (participates in β ladder)trans-116.3160.6-175.3-70.7165.488.800110.5D390 Y391 R399 G400D390-Q402 CarbonylContact C-O 3.55Å; D390-Q402 WeakPolarHBondContact CA-O 3.35Å; Y391-Q402 HydrophobicContact CD1-CB 3.93Å; Y391-Q402 WeakPolarHBondContact CD1-O 3.06Å; Y391-Q402 HydrophobicContact CE1-CB 3.39Å; Y391-Q402 HydrophobicContact CE2-CB 4.22Å; Y391-Q402 PolarHBondContact N-O 3.12Å; Y391-Q402 PolarHBondContact O-N 3.2Å; Y391-Q402 PolarHBondContact OH-OE1 2.9Å; R399-Q402 HydrophobicContact CB-CG 4.34Å; G400-Q402 PolarHBondContact O-N 2.91Å
403R92.9Very high88.9Confident190 Ų19089.8 Ų89.872%0.71743%0.434SS*.EExtended strand (participates in β ladder)trans-121.5124.2180-170.9166.9177.3166.20.6111.4P389 D390P389-R403 HydrophobicContact CB-CG 3.81Å; P389-R403 HydrophobicContact CG-CG 4.01Å; D390-R403 WeakPolarHBondContact OD1-CB 3.39Å; D390-R403 WeakPolarHBondContact OD1-CD 3.12Å; D390-R403 VanDerWaalsContact OD1-CG 3.22Å; D390-R403 WeakPolarHBondContact OD1-CG 3.41Å
404R89.6Confident89Confident88 Ų8889.4 Ų89.433%0.33243%0.432SS..  trans-78.5139.4177.5-62.9-177175.5157.5-7110.9N388 P389 Y391 T406N388-R404 PolarHBondContact OD1-NH1 3.41Å; P389-R404 WeakPolarHBondContact CB-O 3.48Å; P389-R404 WeakPolarHBondContact O-CB 3.44Å; P389-R404 PolarHBondContact O-N 2.84Å; Y391-R404 HydrophobicContact CD1-CG 3.4Å; Y391-R404 VanDerWaalsContact CD1-CG 3.4Å; Y391-R404 HydrophobicContact CE1-CB 4.47Å; Y391-R404 HydrophobicContact CE1-CG 3.34Å; Y391-R404 HydrophobicContact CG-CG 4.29Å; R404-T406 VanDerWaalsContact C-N 3.35Å; R404-T406 HydrophobicContact CB-CG2 3.94Å; R404-T406 PolarHBondContact O-N 2.89Å
405K87.8Confident89.1Confident228 Ų22889.3 Ų89.399%0.99143%0.431SS*.  trans-75.786.1164-63.9-178.7-179.4-179.80108.7
406T84.8Confident89.4Confident58 Ų5886.4 Ų86.436%0.35642%0.42SS..  trans-139.4141.1179177.10000111.5N388 P389 R404 K408N388-T406 HydrophobicContact CB-CG2 4.12Å; P389-T406 HydrophobicContact CB-CG2 4.25Å; R404-T406 VanDerWaalsContact C-N 3.35Å; R404-T406 HydrophobicContact CB-CG2 3.94Å; R404-T406 PolarHBondContact O-N 2.89Å; T406-K408 VanDerWaalsContact C-N 3.32Å; T406-K408 WeakPolarHBondContact CG2-O 3.38Å; T406-K408 PolarHBondContact OG1-N 3.24Å
407K82.1Confident89.8Confident216 Ų21684 Ų8494%0.93941%0.409SS*.SBendtrans-76.5-19.8171-61.8-178.1-178177.10112.2V409K407-V409 PolarHBondContact O-N 2.86Å
408K81.8Confident90.1Very high170 Ų17081.9 Ų81.974%0.73940%0.396SS*.  trans-88.5105.5179.6-67.5-177.5-179.81760110.1N388 T406N388-K408 WeakPolarHBondContact CB-O 3.46Å; T406-K408 VanDerWaalsContact C-N 3.32Å; T406-K408 WeakPolarHBondContact CG2-O 3.38Å; T406-K408 PolarHBondContact OG1-N 3.24Å
409V84.1Confident90.3Very high120 Ų12075.5 Ų75.573%0.72737%0.367SS*.  trans-87.2144.2174.3-177.20000109.9K407K407-V409 PolarHBondContact O-N 2.86Å
410G83.3Confident90.5Very high28 Ų2871.9 Ų71.929%0.28936%0.356SS..SBendtrans86.5170.8178.300000115.1N388N388-G410 PolarHBondContact ND2-O 3.11Å; N388-G410 VanDerWaalsContact ND2-O 3.08Å; N388-G410 PolarHBondContact O-N 3.45Å
411G81.2Confident90.7Very high26 Ų2673.7 Ų73.727%0.26835%0.353SS..  trans81.1146.9173.300000114.7N388N388-G411 PolarHBondContact ND2-O 3.35Å
412N86.2Confident90.6Very high16 Ų1670.2 Ų70.29%0.08634%0.337CS..  trans-138.5140.2173.1-164.4-21.9000109.7K292 H294 D383 L384 T386 H414K292-N412 WeakPolarHBondContact CE-O 3.2Å; K292-N412 PolarHBondContact NZ-O 3.41Å; K292-N412 VanDerWaalsContact NZ-O 3.08Å; H294-N412 HydrophobicContact CB-CB 4.47Å; D383-N412 PolarHBondContact O-ND2 2.82Å; L384-N412 PolarHBondContact O-ND2 3.17Å; T386-N412 PolarHBondContact O-ND2 3.02Å; N412-H414 WeakPolarHBondContact OD1-CB 3.36Å; N412-H414 PolarHBondContact OD1-CD2 3.2Å; N412-H414 VanDerWaalsContact OD1-CD2 3.24Å; N412-H414 PolarHBondContact OD1-N 3.1Å
413L88.3Confident89.7Confident111 Ų11171.9 Ų71.958%0.58135%0.347SS*.  trans-93.3-19.3176.4-64.8180000112.5N267 H325N267-L413 PolarHBondContact ND2-O 3.49Å; H325-L413 PolarHBondContact ND1-O 3.12Å; H325-L413 VanDerWaalsContact ND1-O 3.11Å
414H94Very high88Confident10 Ų1069.7 Ų69.75%0.04634%0.339CS..  trans-69.2149.2-174.3-53.1-177.4000110.4H325 C326 Q327 D383 L384 N412H325-H414 CarbonylContact O-C 3.49Å; H325-H414 WeakPolarHBondContact O-CA 3.44Å; H325-H414 WeakPolarHBondContact O-CB 3.3Å; C326-H414 HydrophobicContact CB-CB 4.28Å; Q327-H414 PolarHBondContact N-CE1 2.96Å; Q327-H414 PolarHBondContact N-NE2 2.83Å; Q327-H414 PolarHBondContact NE2-CE1 3.29Å; Q327-H414 VanDerWaalsContact NE2-CE1 3.35Å; D383-H414 IonicContact OD1-CE1 2.71Å; D383-H414 PolarHBondContact OD1-CE1 3.43Å; D383-H414 IonicContact OD1-ND1 2.66Å; D383-H414 PolarHBondContact OD1-ND1 3.12Å; D383-H414 IonicContact OD2-CE1 3.11Å; D383-H414 IonicContact OD2-CG 2.76Å; D383-H414 IonicContact OD2-ND1 3.71Å; D383-H414 PolarHBondContact OD2-ND1 3Å; L384-H414 HydrophobicContact CD2-CB 3.57Å; N412-H414 WeakPolarHBondContact OD1-CB 3.36Å; N412-H414 PolarHBondContact OD1-CD2 3.2Å; N412-H414 VanDerWaalsContact OD1-CD2 3.24Å; N412-H414 PolarHBondContact OD1-N 3.1Å
415C96.5Very high86.4Confident0 Ų074.4 Ų74.40%036%0.364CS..EExtended strand (participates in β ladder)trans-170.2162.3175.961.30000111.5N267 I289 Y291 K292 H325N267-C415 PolarHBondContact ND2-SG 3.44Å; I289-C415 HydrophobicContact CG2-CB 3.93Å; Y291-C415 WeakPolarHBondContact O-CA 3.22Å; Y291-C415 WeakPolarHBondContact O-CB 3.37Å; K292-C415 HydrophobicContact CB-CB 3.92Å; K292-C415 HydrophobicContact CD-CB 4.05Å; K292-C415 HydrophobicContact CG-CB 4.17Å; H325-C415 PolarHBondContact N-O 3.45Å; H325-C415 PolarHBondContact O-N 2.84Å
416I98.1Very high84.7Confident3 Ų372.1 Ų72.12%0.01536%0.355CS..EExtended strand (participates in β ladder)trans-97.3124.8161.4-58.1170.1000107.7L290 Y291 L311 Y322 Y324 W377 I380 L384L290-I416 HydrophobicContact CB-CB 4.43Å; L290-I416 HydrophobicContact CB-CG2 4.19Å; L290-I416 WeakPolarHBondContact CB-O 3.47Å; L290-I416 HydrophobicContact CD2-CG2 3.9Å; L290-I416 PolarHBondContact N-O 2.83Å; Y291-I416 PolarHBondContact N-O 2.86Å; Y291-I416 PolarHBondContact O-N 3.11Å; L311-I416 HydrophobicContact CD2-CD1 4.28Å; Y322-I416 HydrophobicContact CD1-CG2 4.18Å; Y324-I416 HydrophobicContact CD2-CG1 4.01Å; Y324-I416 HydrophobicContact CG-CG1 4.49Å; W377-I416 HydrophobicContact CH2-CD1 3.81Å; W377-I416 HydrophobicContact CZ3-CD1 3.67Å; I380-I416 HydrophobicContact CG2-CD1 4.23Å; L384-I416 HydrophobicContact CD1-CD1 4.16Å; L384-I416 HydrophobicContact CD1-CG1 4.16Å
417M98.2Very high83.2Confident0 Ų073.4 Ų73.40%036%0.359CS..EExtended strand (participates in β ladder)trans-103.1141.5172.6-66.2176.5-76.400109.6N267 L270 M271 Y288 I289 Y322 I323 H325 Y330 F419N267-M417 HydrophobicContact CB-CE 4.34Å; N267-M417 HydrophobicContact CB-SD 3.7Å; L270-M417 HydrophobicContact CD1-CE 4.26Å; M271-M417 HydrophobicContact CG-SD 4.27Å; Y288-M417 CarbonylContact O-C 3.42Å; Y288-M417 WeakPolarHBondContact O-CA 3.23Å; I289-M417 HydrophobicContact CG1-CG 4.22Å; Y322-M417 VanDerWaalsContact CA-O 3.26Å; Y322-M417 WeakPolarHBondContact CA-O 3.45Å; I323-M417 HydrophobicContact CB-CE 4.07Å; I323-M417 HydrophobicContact CG2-CE 3.89Å; I323-M417 PolarHBondContact N-O 3.48Å; I323-M417 PolarHBondContact O-N 3.29Å; H325-M417 HydrophobicContact CB-CE 4.32Å; Y330-M417 HydrophobicContact CD1-CE 4.12Å; Y330-M417 HydrophobicContact CE1-CE 3.95Å; M417-F419 HydrophobicContact CB-CE2 3.75Å; M417-F419 HydrophobicContact CB-CZ 4.2Å
418A98.1Very high81.4Confident0 Ų065.3 Ų65.30%034%0.337CS..EExtended strand (participates in β ladder)trans-109.914317300000110.3S287 Y288 L290 M320 A321 Y322S287-A418 VanDerWaalsContact CA-O 3.24Å; S287-A418 WeakPolarHBondContact CA-O 3.39Å; Y288-A418 HydrophobicContact CD1-CB 4.19Å; Y288-A418 HydrophobicContact CD2-CB 4.33Å; Y288-A418 HydrophobicContact CE1-CB 3.74Å; Y288-A418 HydrophobicContact CE2-CB 3.92Å; Y288-A418 HydrophobicContact CG-CB 4.47Å; Y288-A418 PolarHBondContact N-O 2.84Å; Y288-A418 PolarHBondContact O-N 2.82Å; L290-A418 HydrophobicContact CB-CB 4.29Å; M320-A418 HydrophobicContact CE-CB 3.99Å; A321-A418 CarbonylContact O-C 3.39Å; A321-A418 WeakPolarHBondContact O-CA 3.27Å; Y322-A418 HydrophobicContact CD1-CB 3.92Å; Y322-A418 HydrophobicContact CE1-CB 3.73Å
419F98.4Very high79.7Confident0 Ų063.8 Ų63.80%034%0.344CS..EExtended strand (participates in β ladder)trans-127.7122.7177.4-61.5-94.6000107.1L222 L229 F274 M320 A321 I323 M417L222-F419 HydrophobicContact CD1-CD1 4.42Å; L222-F419 HydrophobicContact CD1-CE1 4Å; L229-F419 HydrophobicContact CD1-CB 4.01Å; F274-F419 HydrophobicContact CB-CD1 3.95Å; F274-F419 HydrophobicContact CB-CE1 3.9Å; F274-F419 AromaticContact CD1-CD1 3.74Å; F274-F419 HydrophobicContact CD1-CD1 3.74Å; F274-F419 HydrophobicContact CD1-CE1 4.46Å; F274-F419 AromaticContact CD2-CD1 3.78Å; F274-F419 HydrophobicContact CD2-CD1 3.78Å; F274-F419 HydrophobicContact CD2-CE1 4.45Å; F274-F419 HydrophobicContact CE1-CB 4.29Å; F274-F419 HydrophobicContact CE1-CD1 4.1Å; F274-F419 HydrophobicContact CE2-CB 4.28Å; F274-F419 HydrophobicContact CE2-CD1 4.16Å; F274-F419 AromaticContact CG-CD1 3.55Å; F274-F419 HydrophobicContact CG-CD1 3.55Å; F274-F419 HydrophobicContact CG-CE1 4.04Å; F274-F419 HydrophobicContact CZ-CB 4.04Å; F274-F419 HydrophobicContact CZ-CD1 4.3Å; M320-F419 CarbonylContact C-O 3.6Å; A321-F419 HydrophobicContact CB-CB 4.43Å; A321-F419 PolarHBondContact N-O 3.22Å; A321-F419 PolarHBondContact O-N 3.33Å; I323-F419 HydrophobicContact CB-CE2 3.91Å; I323-F419 HydrophobicContact CD1-CD2 4.39Å; I323-F419 HydrophobicContact CD1-CE2 3.52Å; I323-F419 HydrophobicContact CD1-CZ 3.71Å; I323-F419 HydrophobicContact CG1-CD2 4.19Å; I323-F419 HydrophobicContact CG1-CE2 3.55Å; I323-F419 HydrophobicContact CG1-CZ 4.25Å; M417-F419 HydrophobicContact CB-CE2 3.75Å; M417-F419 HydrophobicContact CB-CZ 4.2Å
420Q97.3Very high77.9Confident61 Ų6169.5 Ų69.529%0.28535%0.353SS..EExtended strand (participates in β ladder)trans-122.3133.8-174.1-170.5174.733.300110.8G285 C286 S319 M320G285-Q420 CarbonylContact C-O 3.58Å; G285-Q420 WeakPolarHBondContact CA-O 3.34Å; C286-Q420 PolarHBondContact N-O 3.04Å; C286-Q420 PolarHBondContact O-N 3.43Å; S319-Q420 CarbonylContact O-C 3.46Å; S319-Q420 VanDerWaalsContact O-CA 3.28Å; S319-Q420 WeakPolarHBondContact O-CA 3.37Å; M320-Q420 HydrophobicContact CG-CG 4.45Å; M320-Q420 HydrophobicContact SD-CB 3.57Å; M320-Q420 VanDerWaalsContact SD-CB 3.57Å; M320-Q420 HydrophobicContact SD-CG 3.49Å; M320-Q420 WeakPolarHBondContact SD-CG 3.28Å
421R95.9Very high76.2Confident67 Ų6770.7 Ų70.725%0.25336%0.36SS..EExtended strand (participates in β ladder)trans-79125.9165.4171.517166.8169.91.2109.5L229 Y230 A235 S319L229-R421 HydrophobicContact CB-CB 4.41Å; L229-R421 HydrophobicContact CD2-CB 4.17Å; L229-R421 WeakPolarHBondContact O-CD 3.45Å; L229-R421 PolarHBondContact O-NE 3.11Å; L229-R421 PolarHBondContact O-NH1 3.33Å; L229-R421 VanDerWaalsContact O-NH1 3.16Å; Y230-R421 HydrophobicContact CD1-CG 4.35Å; Y230-R421 HydrophobicContact CE1-CB 3.99Å; Y230-R421 HydrophobicContact CE1-CG 3.67Å; A235-R421 VanDerWaalsContact O-CZ 3.24Å; A235-R421 PolarHBondContact O-NH1 3.16Å; A235-R421 PolarHBondContact O-NH2 3.36Å; S319-R421 PolarHBondContact O-N 3.2Å
422V90.6Very high74.6Confident39 Ų3976.9 Ų76.924%0.23639%0.386CS..  trans-103.1117.9178.7177.30000109.2R284 L427R284-V422 HydrophobicContact CB-CB 4.42Å; R284-V422 PolarHBondContact O-N 3.2Å; V422-L427 HydrophobicContact CG1-CD1 4.41Å
423N74.2Confident72.3Confident79 Ų7981.4 Ų81.442%0.42241%0.41SS..  trans-99.8100.9175.3-172-8.2000111.3Q425 K426N423-Q425 VanDerWaalsContact C-N 3.29Å; N423-Q425 PolarHBondContact O-N 2.83Å; N423-Q425 WeakPolarHBondContact OD1-CB 3.47Å; N423-Q425 PolarHBondContact OD1-N 3.32Å; N423-K426 PolarHBondContact O-N 2.86Å
424W58Low70.2Confident144 Ų14484.5 Ų84.555%0.54543%0.427SS..G310 helixtrans-70.7-14.5176.4-78-16.8000114.9R284 K426 L427R284-W424 HydrophobicContact CG-CE3 4.36Å; R284-W424 HydrophobicContact CG-CZ3 4.43Å; W424-K426 PolarHBondContact O-N 2.84Å; W424-L427 CarbonylContact O-C 3.4Å; W424-L427 PolarHBondContact O-N 3.45Å
425Q55Low67.6Low186 Ų18688.7 Ų88.787%0.86945%0.446SS*.G310 helixtrans-66.6-19172.7-64.6-177.8-18.600112.8N423N423-Q425 VanDerWaalsContact C-N 3.29Å; N423-Q425 PolarHBondContact O-N 2.83Å; N423-Q425 WeakPolarHBondContact OD1-CB 3.47Å; N423-Q425 PolarHBondContact OD1-N 3.32Å
426K52.2Low64.7Low181 Ų18195 Ų9579%0.78748%0.48SS*.G310 helixtrans-94.7-7.8171.6-66.9-171.4175.9-175.40113.7N423 W424N423-K426 PolarHBondContact O-N 2.86Å; W424-K426 PolarHBondContact O-N 2.84Å
427L52.9Low62Low84 Ų84103.1 Ų103.144%0.4452%0.522SS..SBendtrans-120.286.1-176.7-68.3170.4000107.7V422 W424 A431V422-L427 HydrophobicContact CG1-CD1 4.41Å; W424-L427 CarbonylContact O-C 3.4Å; W424-L427 PolarHBondContact O-N 3.45Å; L427-A431 HydrophobicContact CB-CB 3.84Å; L427-A431 HydrophobicContact CD2-CB 3.74Å; L427-A431 HydrophobicContact CG-CB 4.36Å
428G44.9Very low59.2Low47 Ų47112.2 Ų112.249%0.48556%0.557SS.*  trans-57.1169.2178.800000112.8W430 A431G428-W430 PolarHBondContact O-N 2.77Å; G428-A431 PolarHBondContact O-N 3.08Å
429P45.5Very low56.3Low138 Ų138117.6 Ų117.690%0.89658%0.582SS**THydrogen-bonded Turntrans-57.4-4.2-165.7-28.136.1000118
430W47.4Very low53.1Low239 Ų239125.1 Ų125.191%0.90562%0.622SS**THydrogen-bonded Turntrans-106.6-3-180-84.336.6000114.5G428 L432G428-W430 PolarHBondContact O-N 2.77Å; W430-L432 PolarHBondContact O-N 3.04Å
431A47.5Very low50.2Low53 Ų53131.7 Ų131.744%0.43865%0.65SS.*  trans-78.321.7-17300000115.3L427 G428L427-A431 HydrophobicContact CB-CB 3.84Å; L427-A431 HydrophobicContact CD2-CB 3.74Å; L427-A431 HydrophobicContact CG-CB 4.36Å; G428-A431 PolarHBondContact O-N 3.08Å
432L47.6Very low47Very low156 Ų156136.3 Ų136.382%0.81767%0.674SS**  trans-98.130.5174.6-71.5178000113.1W430 L434W430-L432 PolarHBondContact O-N 3.04Å; L432-L434 PolarHBondContact O-N 3.49Å
433N37.8Very low44.2Very low111 Ų111143.6 Ų143.659%0.59471%0.706SS**  trans-83.9102.8162.7-97-29.6000110E435N433-E435 PolarHBondContact O-N 2.98Å
434L44.5Very low42.1Very low177 Ų177146 Ų14693%0.92773%0.725SS**THydrogen-bonded Turntrans-71.330.2176.9-156.579.4000112.8L432L432-L434 PolarHBondContact O-N 3.49Å
435E39Very low40.9Very low98 Ų98143.3 Ų143.346%0.45873%0.734SS.*THydrogen-bonded Turntrans-123.2-21.5-163.9-154.5144.7-130.800111.9N433 L437 R438N433-E435 PolarHBondContact O-N 2.98Å; E435-L437 PolarHBondContact O-N 2.76Å; E435-R438 WeakPolarHBondContact O-CB 3.42Å; E435-R438 PolarHBondContact O-N 3.48Å
436N35.9Very low39.7Very low131 Ų131139.5 Ų139.570%0.70173%0.728SS**THydrogen-bonded Turntrans-66.1-2.2173.9-74-9.3000114.6
437L40.5Very low38.5Very low174 Ų174139.2 Ų139.291%0.91174%0.735SS**THydrogen-bonded Turntrans-93.52.4168.9-123.1111.9000113.5E435E435-L437 PolarHBondContact O-N 2.76Å
438R40.9Very low37.5Very low192 Ų192146.6 Ų146.673%0.72576%0.757SS**SBendtrans-108.3-12.7179.5-71.6-176.6168.6174.8-3.6114.7E435E435-R438 WeakPolarHBondContact O-CB 3.42Å; E435-R438 PolarHBondContact O-N 3.48Å
439H36.5Very low36.6Very low113 Ų113148.7 Ų148.752%0.52377%0.77SS.*SBendtrans-94.4-13.3-169.2-76.1-65000116.3F441H439-F441 PolarHBondContact O-N 3.06Å; H439-F441 VanDerWaalsContact O-N 3.11Å
440D30.9Very low35.8Very low158 Ų158151.8 Ų151.885%0.84577%0.772SS**THydrogen-bonded Turntrans-754.5178.1-72.7-16.8000114.6
441F35.7Very low34.9Very low199 Ų199144.4 Ų144.487%0.87377%0.77SS**THydrogen-bonded Turntrans-100.510.2177.6-91.4-76.5000114.9H439H439-F441 PolarHBondContact O-N 3.06Å; H439-F441 VanDerWaalsContact O-N 3.11Å
442Q29.8Very low34Very low164 Ų164147.3 Ų147.377%0.76679%0.788SS**  trans-123.495.4173.3-71.5-177-1900111.1
443Q30.8Very low33.2Very low191 Ų191147 Ų14789%0.89379%0.792SS**  trans-62.3129.1160.9-71.8-174.7-37.400109.1A445Q443-A445 PolarHBondContact O-N 3.07Å
444P31.8Very low32.9Very low129 Ų129146 Ų14684%0.83880%0.799SS**  trans-75.5110.6168.429.8-30.8000109.3
445A31.1Very low32.1Very low88 Ų88145.4 Ų145.473%0.72780%0.797SS**  trans-77.1159.2159.400000110.2Q443Q443-A445 PolarHBondContact O-N 3.07Å
446S30.4Very low31.7Very low106 Ų106148 Ų14874%0.74181%0.813SS**  trans7696.5176.672.30000117.6
447D28.3Very low31.4Very low175 Ų175146.2 Ų146.294%0.93681%0.812SS**  trans-65.1136.1132.1-85.5-45.4000108.8
448R29.8Very low31.1Very low240 Ų240146.1 Ų146.191%0.90681%0.806SS**  trans-100.7135.3171.4-93.1-178164.8-172.4-4.3109.8
449A26.3Very low30.5Very low91 Ų91144.7 Ų144.775%0.75281%0.808SS**  trans-133.7109.6161.600000111.1
450Q30.4Very low30.2Very low203 Ų203150.1 Ų150.195%0.94982%0.824SS**  trans55.5141.1146-61.6178.4-22.800121.4
451G26.7Very low30.2Very low83 Ų83149 Ų14986%0.85682%0.823SS**  trans14686.5164.300000114.3
452S28.6Very low30.6Very low115 Ų115145 Ų14580%0.80482%0.817SS**  trans-86.1143.8167.854.70000111.7
453V30.9Very low30.6Very low149 Ų149142.8 Ų142.890%0.90382%0.819SS**  trans-158.2152.8138.6167.80000108
454A31.6Very low30.7Very low90 Ų90143.2 Ų143.274%0.74482%0.818SS**  trans-70.7166179.600000114.5
455D29.1Very low30.6Very low165 Ų165149.2 Ų149.288%0.88282%0.824SS**  -166.4175.1103-149.10.3000112.1
456D29.4Very low30.6Very low151 Ų151153.5 Ų153.581%0.80783%0.834SS**  trans-80176.8-163.3-140.7-19.2000117.5
457S30.9Very low30.7Very low95 Ų95152.5 Ų152.566%0.66483%0.832SS**  trans128.9106.3142.1-158.70000118.1
458E32.5Very low30.9Very low171 Ų171153.4 Ų153.480%0.79983%0.831SS**  trans39115.5136.1-56.7-168.8137.500120.7
459E29.7Very low31.1Very low163 Ų163149.9 Ų149.976%0.76283%0.829SS**  95.310877.7-158.4-147.6-171.500113.9
460R29.3Very low31.3Very low227 Ų227149.2 Ų149.286%0.85783%0.831SS**  -177.4138.7127.3-102.4170.1-179.9-174.2-0113.3
461T30.8Very low31.6Very low134 Ų134150.8 Ų150.882%0.82283%0.828SS**  trans-108.4-166.7-178.963.40000110.6
462P44.7Very low31.9Very low114 Ų114152.5 Ų152.574%0.7483%0.828SS**  -123.7-176.7-112.232-9.8000114.1
463S28.8Very low32.1Very low118 Ų118156.1 Ų156.183%0.82583%0.832SS**  trans-148.4101.1164.6-86.60000115.5
464K33Very low32Very low201 Ų201155 Ų15587%0.87483%0.83SS**  trans21.1126.2141.6-60.6173.5-179.3173.20119
465R29.5Very low32Very low255 Ų255159.6 Ų159.696%0.96284%0.839SS**  -151.6154.7104.3-104.3175.8-165.1-1383.5111
466L32.3Very low31.9Very low177 Ų177155.6 Ų155.693%0.92784%0.837SS**  trans-130.8168.5-168.5-165.195.1000109.3
467A31.2Very low31.9Very low85 Ų85154.2 Ų154.270%0.70284%0.839SS**  trans94.1140174.500000114.6
468Q32.7Very low31.8Very low195 Ų195159 Ų15991%0.91185%0.851SS**  cis-14715813.5-152.3157.4-10.500113.3
469L35.6Very low31.6Very low165 Ų165159.1 Ų159.186%0.86485%0.848SS**  trans-87.9155.7-172.8-81.6139.6000114.4
470G30.2Very low31.7Very low78 Ų78157.4 Ų157.480%0.80484%0.844SS**  trans-153105160.800000112
471R36.7Very low31.5Very low235 Ų235152.6 Ų152.689%0.88784%0.841SS**  trans-75168.2169.6-73.3178.8166.5-171.2-4109.3
472S32.8Very low31.3Very low120 Ų120151.8 Ų151.884%0.83984%0.839SS**  cis-165.3165.640.541.50000114.4
473Q31.7Very low30.3Very low191 Ų191151.3 Ų151.389%0.89384%0.838SS**  trans-85.7158.5173.3-56.7168.7-10.400112.1
474S29.9Very low30.1Very low125 Ų125156.5 Ų156.587%0.87484%0.84SS**  -169.3161.3129.5-161.70000112.5
475M31.4Very low29.9Very low187 Ų187155.9 Ų155.992%0.92184%0.837SS**  trans-91.2164.3-175.6-60.1165.959.800113
476G26.6Very low29.8Very low81 Ų81154.4 Ų154.484%0.83583%0.832SS**  trans-176.797.8166.100000112.9
477S29.6Very low29.6Very low121 Ų121154 Ų15485%0.84683%0.83SS**  trans-98.7134.2170.6-179.90000109.6
478Q27.6Very low29.3Very low197 Ų197154.3 Ų154.392%0.92183%0.827SS**  trans-145.8155.8157.7-136.6175.911.500110.8
479K29.8Very low29Very low173 Ų173153 Ų15375%0.75283%0.826SS**  trans-128.4163.5-162.3-145.4-170.3177.8-167.60109.8
480D30.4Very low28.6Very low126 Ų126151.6 Ų151.667%0.67483%0.825SS**  trans89.5142.4153.8-55.8-36.4000121.8
481T26.3Very low28.6Very low127 Ų127153.7 Ų153.778%0.77983%0.827SS**  trans79.493.2155.930.50000122.4
482C25.8Very low28.2Very low117 Ų117151.7 Ų151.779%0.79183%0.827SS**  58.4127.2113.4-64.80000122.9
483S25Very low27.9Very low104 Ų104157.1 Ų157.173%0.72783%0.831SS**  112.1119.8129.979.30000119.9
484W24.5Very low27.8Very low227 Ų227158.2 Ų158.286%0.8683%0.827SS**  trans58.1105.2132.5-73.142.7000119.8
485K28Very low27.8Very low187 Ų187159.9 Ų159.981%0.81382%0.821SS**  -177.8146.895-101.3161.4-173.9175.70115.4
486R28.3Very low27.5Very low225 Ų225163.1 Ų163.185%0.84982%0.823SS**  trans-56132159.8164.7-164-84.9-169.6-8.2110.3
487L28.3Very low27.6Very low168 Ų168163.8 Ų163.888%0.8882%0.815SS**  trans-134.1108.4155.9-77.1176.8000110
488S25.1Very low27.6Very low92 Ų92163 Ų16364%0.64381%0.81SS**  trans-87.3136.8158.645.70000108.2
489N25.5Very low27.9Very low167 Ų167159.6 Ų159.689%0.89380%0.804SS**  trans-151137157.1-105.9-12.9000111.6
490T27.8Very low27.8Very low136 Ų136158.8 Ų158.883%0.83480%0.803SS**  trans-93.2141.9175.845.10000110.7
491S30.5Very low27.8Very low121 Ų121158.6 Ų158.685%0.84681%0.812SS**  trans-156.3128.5156.858.50000110.6
492E27.6Very low28Very low194 Ų194159 Ų15991%0.90781%0.809SS**  trans-76.9150178.5-55.5168.9120.800111.6
493Y27.3Very low28.6Very low233 Ų233161.7 Ų161.791%0.91482%0.815SS**  trans-146.7146.8146.7-155-96000111.7
494R28.8Very low29Very low214 Ų214165.8 Ų165.881%0.80882%0.822SS**  trans-90.4151.3-168.9-102.9178.7177.1165.6-1.1113.3
495Q29.1Very low29.4Very low160 Ų160163.5 Ų163.575%0.74882%0.821SS**  trans58.9114.2139-66.9-105.6-24.100120
496R26.4Very low29.7Very low256 Ų256161.7 Ų161.797%0.96682%0.82SS**  trans-145.7134.9132.1-136.8179.6-168.3-153.22.3109.3
497S27.4Very low30Very low94 Ų94157.9 Ų157.966%0.65782%0.815SS**  trans-106.3144.7-165.521.20000114
498S29.6Very low30.3Very low106 Ų106155.1 Ų155.174%0.74181%0.806SS**  trans43.1160.2149-44.40000121.2
499P34.9Very low30.8Very low125 Ų125161.9 Ų161.981%0.81284%0.835SS**  -122.2167.668.69.513.2000115.2
500E28.4Very low31.1Very low156 Ų156161.7 Ų161.773%0.72983%0.832SS**  trans-68.2167.5179.3-63.7105.8147.700115.8
501S29.4Very low31.3Very low121 Ų121163 Ų16385%0.84683%0.832SS**  trans-145.999.5150.768.50000109.9
502D31.2Very low31.3Very low135 Ų135165.3 Ų165.372%0.72283%0.831SS**  trans-68.8143.3177.6-53.8-59.6000112.1
503L37.7Very low31.6Very low174 Ų174163.6 Ų163.691%0.91183%0.826SS**  trans-146.1107152.7-78-177.1000107.6
504E33.2Very low31.8Very low191 Ų191159.3 Ų159.389%0.89382%0.821SS**  trans-67.9153.1177.6-63-168.6135.900112.3
505E33.9Very low32Very low178 Ų178155.7 Ų155.783%0.83282%0.822SS**  trans-82.1120.9167.3-65-177.113100108.9
506D32.5Very low32.2Very low149 Ų149155.4 Ų155.480%0.79783%0.827SS**  trans-93.7115.4169.2-164.5-3.5000108.9
507I35Very low32.7Very low145 Ų145147.6 Ų147.674%0.74482%0.817SS**  trans-106.8117.5176.8-63.2171.4000107
508T36.2Very low33.1Very low111 Ų111152.1 Ų152.168%0.68183%0.83SS**  trans-145.9122.8162.617.30000111
509D35.5Very low33.4Very low234 Ų234156.3 Ų156.3100%1.25184%0.838SS**  trans49.90161.5-53-17.8000120.8

Retrieved 509 of 509 residues in 405.3 ms (Link to these results)