A0A3Q0KLC1_SCHMA Loading...

Claspin-like protein

AlphaFold DB , UniProt , Accession A0A3Q0KLC1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,508 aa.

>A0A3Q0KLC1_SCHMA|A0A3Q0KLC1
MLDSLSSTGGNLSPIEASNAKEIVPESNVEKSYILPPDLVDNELSDECDNNVDSPPSNQIHSSDENNELWTIKDDIEETEEKVGRWTLSSGASKNVSKIKSSARNKKHSKPTNMEEERLQIYSESQRLVREADVHLPVHRPKQFKCFSEFRQSLKGCKSNETKSCETSSQNKLHSDCSTHFQPIPGQSTRNEETENELDIKPFVSQGYSIDHPVDIDCTTLEPPPMSSDAKPSLDVTSEPDVLTNLLPRLDARKLKNDEREELFIDLGESIPTSTSSVTPSQLLARLKSHLHVSHEKVVRGPIQYSIITKVQSSDAEREELQVETVTHEPSKGLSTTISVSRKHWLEHRKVLEEKMRQKRLEQYEMRLKEEGTCLKSTNENTGEVSNSDEEWSEGVANDSEISDEDSNAEEESSSDSESEEEEGEENESLDDDEEDDNVVVGSKKASRQRPCLFADDEAEESENDEVFAEADDPEDEEALTCKDCADIKQNKSCSKTTGVNNLNVDFGKNIARSHTPQKQHLQLDDFTDLPQETTGFKLFSSCNNGYSLGLPQRHHHGTLGPADIDLFASECSSILDRTMNPQSILASTRLDATTIGDENKSRFTRNSSTHSQWNNTPYELLYSQKPNSQLLASRSESITQEFIDDNRIMTSNPHNVSSQDTVLLSQEPTQPTSQLDPTIIISEETNSSLQSQVLHKNHRQLFSESVSDQSGLFTGILTKSNVESSNADSQVHHENRHNLFGGSLCDESQAVMDSVTTKSFDENDDIDSQVRHNDRCNLFGGSISNQSQELVDGTAKSITGGYVTDSQTNHDNHRILFGGSISTQSQAFMDLAGDNDDLDSQIQHEKHGNLFSGSICVQSQESINEVKNSIINNNPDSHENRRNLFGESTCDQSQGHVDEILKSPVNNHDDPDFQESEHPISGFTTQNSSRRRVLVFDDEDDEEEGNKEKKDNSFIEPSSLIRNNPFKSTSESNFTSDNLSEVFHTDDNVELEDKISTVDESDDHTIEAGDDEANIDPDDITDEDNGSDNESSEGDEEEEKDNSLEDEDDEEEIQRLTIQSNEIKKTKKFRINDFVDEEAELSGDENERAYFMDDEDELDPNDDDANEEFADLIDEDDSDIPSAGRLRRQIERVHHRLQTDQDLRELRYLKELYFEDGDLHAENGRVRQRRFRWRGLDNNDPFTDQINIDNSDDNSSEDEKHGIPCGPIDNWLRRGPMKSSNGENNQSTENGDLDSDTIHSSSNKQTNDKDPSDSALESDEEIENSKAVTDNLSTGVLSLGKKALLKSQTKLQTQIVVCNKLPSNRGKTTKSASTLRNPLFSNYFLQPKSHNLPINEGVTNDTDSNSKVDSVIVSTNNNDKPIAPVKFNNVNNAVNDVRFQTIRRGSLLSRFAGGLVPGYKSEPTQIHSNVNDGFDAGTSKSESRRDQTHLDLRSKVGLSCFSVVTAQIKPEKTDSFDDGASNQKSLKSCDFPIKQKRPVDVIKPNSVLLSPPSLKRHRSTSVFNALL
Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.9Very low38Very low223 Ų223122.4 Ų122.4100%1.09977%0.766SS**  0125.30-88.3174.9162.600106.3
2L36Very low37.6Very low137 Ų137125 Ų12572%0.71777%0.77SS**  61.4124.580.9-58.2-172.7000110.7
3D39Very low37.3Very low106 Ų106123.6 Ų123.657%0.56777%0.768SS**  cis-153.5161.9-7.7-82.9-44.8000105.9L5D3-L5 HydrophobicContact CB-CD1 4.2Å; D3-L5 WeakPolarHBondContact OD1-CD1 3.43Å
4S47.5Very low37.5Very low109 Ų109123.1 Ų123.176%0.76277%0.768SS**  cis-148132.437-59.90000109.3
5L41.2Very low37Very low136 Ų136125.1 Ų125.171%0.71277%0.768SS**  66.612566.4-62.8172.8000112.6D3D3-L5 HydrophobicContact CB-CD1 4.2Å; D3-L5 WeakPolarHBondContact OD1-CD1 3.43Å
6S35.1Very low36.7Very low99 Ų99128.1 Ų128.169%0.69277%0.771SS**  cis-171.6161-0.256.90000113.6
7S37.9Very low36.6Very low102 Ų102126.2 Ų126.271%0.71377%0.772SS**  trans70135.2147.2-131.50000116.7
8T39.3Very low36.7Very low125 Ų125124.6 Ų124.677%0.76777%0.767SS**  cis-161.3144.7-5.3-1.30000104.6
9G35.1Very low36.5Very low76 Ų76125.7 Ų125.778%0.78477%0.767SS**  cis93.385.335.700000109.3
10G36.6Very low36.6Very low75 Ų75123.7 Ų123.777%0.77376%0.764SS**  trans-175.3113.2-177.300000111.9
11N33.3Very low36.9Very low158 Ų158125.8 Ų125.885%0.84576%0.763SS**  trans-92.6178.4-178.9-66.6-47.6000112
12L33.5Very low36.8Very low154 Ų154122.2 Ų122.281%0.80674%0.743SS**  trans98.191.5154.2-52.6-180000119
13S34Very low37Very low107 Ų107123 Ų12375%0.74875%0.747SS**  61.8153.8120.7600000121.3
14P40.2Very low37.1Very low117 Ų117124.1 Ų124.176%0.7676%0.757SS**  trans-94.2161.4-153.337.6-37.7000115.6
15I29.9Very low36.6Very low152 Ų152123.4 Ų123.478%0.77975%0.75SS**  trans179.3139.6135.5-95.8156.5000111.4
16E32.6Very low36.5Very low174 Ų174125.7 Ų125.781%0.81376%0.757SS**  trans34.3123.2156.4-62.2170.8156.400123.3
17A34.8Very low36.7Very low95 Ų95126.1 Ų126.179%0.78576%0.76SS**  35.8136129.600000120.6
18S38Very low36.5Very low97 Ų97127.7 Ų127.768%0.67876%0.76SS**  cis-179.3169.445.757.40000113.8
19N33Very low36.3Very low146 Ų146125.8 Ų125.878%0.78175%0.748SS**  trans77.5115.6150.4-77.2-60.3000122.6
20A38Very low36.6Very low85 Ų85130.7 Ų130.770%0.70275%0.751SS**  82.8138.7126.400000119.1
21K42.6Very low36.6Very low168 Ų168134.6 Ų134.673%0.7375%0.747SS**  cis-165.1161-1.3-136164.4161-99.40112
22E35.8Very low36.7Very low149 Ų149131.5 Ų131.570%0.69674%0.737SS**  trans65.9143.9157.7-83.3154.391.600116.5
23I39.8Very low36.8Very low154 Ų154135.2 Ų135.279%0.7974%0.742SS**  cis-131.9150.615.8-62.4172.5000110.3
24V40Very low36.8Very low129 Ų129136.6 Ų136.678%0.78274%0.74SS**  trans-120.4157.6165.2-148.10000107.8
25P39Very low36.9Very low94 Ų94138.4 Ų138.461%0.6174%0.742SS**  -148.6151.396.738.1-21.6000116.3
26E37.4Very low37.4Very low183 Ų183136.3 Ų136.386%0.85574%0.738SS**  trans54.5145.8136.1-64.8148.4-138.900120.8
27S41Very low37.6Very low108 Ų108133.8 Ų133.876%0.75574%0.737SS**  cis-148-174.81656.50000113.4
28N33.7Very low37.7Very low136 Ų136135.6 Ų135.673%0.72773%0.733SS**  trans-100.8162.9-171.8-53.2-41.5000113.8
29V35.1Very low38Very low84 Ų84137.3 Ų137.351%0.50974%0.735SS.*  178.4118.7100.3156.40000110.7K31V29-K31 HydrophobicContact CG1-CG 4.45Å
30E40.1Very low38.3Very low179 Ų179136.7 Ų136.784%0.83674%0.736SS**  trans-130.8149.1158.3-158.9-175.2-163.900109.6S32E30-S32 PolarHBondContact O-N 3.37Å
31K37.2Very low38.4Very low158 Ų158139.8 Ų139.869%0.68774%0.74SS**  trans-102.584.3-158-67178.7179178.30113.9V29 Y33V29-K31 HydrophobicContact CG1-CG 4.45Å; K31-Y33 PolarHBondContact O-N 3.38Å
32S35.9Very low38.1Very low93 Ų93138.4 Ų138.465%0.6574%0.741SS**  trans-72.2119.9164.763.40000111.6E30 I34E30-S32 PolarHBondContact O-N 3.37Å; S32-I34 VanDerWaalsContact C-N 3.25Å; S32-I34 PolarHBondContact O-N 2.84Å
33Y35.2Very low38.1Very low232 Ų232139.6 Ų139.691%0.9175%0.747SS**  trans-7574.7173.3-89.4-88.5000111.3K31K31-Y33 PolarHBondContact O-N 3.38Å
34I34.7Very low38.1Very low136 Ų136140 Ų14070%0.69775%0.749SS**PPolyproline II helixtrans-80.2127.4169.1-64.8176.3000108.8S32S32-I34 VanDerWaalsContact C-N 3.25Å; S32-I34 PolarHBondContact O-N 2.84Å
35L41.3Very low37.8Very low154 Ų154138.2 Ų138.281%0.80674%0.743SS**PPolyproline II helixtrans-62.2134175.7-71.5165.3000110.7P37L35-P37 WeakPolarHBondContact O-CD 3.3Å
36P40Very low37.9Very low108 Ų108140.3 Ų140.370%0.70175%0.749SS**PPolyproline II helixtrans-58.6123.2178.5-26.435.2000112.8D38P36-D38 VanDerWaalsContact C-N 3.3Å; P36-D38 PolarHBondContact O-N 3.5Å
37P37.1Very low38.1Very low121 Ų121140.1 Ų140.179%0.78675%0.748SS**  trans-89.458.4178.636.8-34.8000112.1L35L35-P37 WeakPolarHBondContact O-CD 3.3Å
38D37.7Very low37.8Very low133 Ų133140.1 Ų140.171%0.71175%0.747SS**  trans-91.7133.9171.9-79.2-15.4000110.7P36P36-D38 VanDerWaalsContact C-N 3.3Å; P36-D38 PolarHBondContact O-N 3.5Å
39L44.5Very low38Very low134 Ų134140.7 Ų140.770%0.70275%0.75SS**  cis-143.6145-12.7-98.2167.3000107.4
40V37.5Very low37.9Very low133 Ų133143 Ų14381%0.80676%0.759SS**  trans-112.696176.9-80.10000110.9
41D42Very low37.7Very low149 Ų149142 Ų14280%0.79776%0.76SS**  trans-92.6126.8172-74.4-47.4000111.7
42N34.4Very low37.5Very low140 Ų140140.6 Ų140.675%0.74976%0.764SS**  trans-68.6175.8164.9-53-73.7000108.9
43E37.3Very low37.8Very low174 Ų174143.8 Ų143.881%0.81377%0.774SS**  cis-141156.826.9-63.3179.1146.100108.1
44L38.6Very low37.8Very low161 Ų161137.1 Ų137.184%0.84376%0.761SS**  41.1130.772.2-71.3164.4000113
45S33.7Very low38.5Very low92 Ų92136.4 Ų136.464%0.64377%0.765SS**  cis-145.7175.6-6.1450000108.6
46D41.4Very low38.4Very low139 Ų139134.7 Ų134.774%0.74376%0.764SS**  -176162.883.3-87.9-20.9000112.6
47E41.2Very low38Very low179 Ų179134 Ų13484%0.83676%0.761SS**  trans-23153.2157.9-32.4-179120.300116.9
48C34.4Very low37.6Very low108 Ų108134.2 Ų134.273%0.7376%0.756SS**  cis-169.316133.645.60000114.3
49D38.6Very low37.3Very low147 Ų147135.7 Ų135.779%0.78676%0.758SS**  trans50.694.7142.1-64-9.1000121.6N51D49-N51 PolarHBondContact O-N 3.23Å
50N32.4Very low36.7Very low133 Ų133135.5 Ų135.571%0.71176%0.757SS**  -14.5108.8124.6-83.7-91.6000114.9
51N37.6Very low36.4Very low158 Ų158136.6 Ų136.685%0.84575%0.753SS**  trans-149.9140.7145-142.4-19.8000115.2D49D49-N51 PolarHBondContact O-N 3.23Å
52V32.8Very low35.8Very low128 Ų128133.9 Ų133.978%0.77675%0.746SS**  trans-85127.5179.7176.40000109.9
53D40.9Very low35.6Very low160 Ų160131.2 Ų131.286%0.85674%0.737SS**  trans-146.5158.9144.2-149.4-8.2000112.4
54S35.9Very low35.5Very low92 Ų92129.4 Ų129.464%0.64373%0.733SS**  trans-101.3156.7-166.5-72.60000114.1
55P49.7Very low35.8Very low121 Ų121129.6 Ų129.679%0.78673%0.73SS**  trans-84.9153.7-171.433.7-37.5000114.8
56P38.7Very low36Very low119 Ų119130.4 Ų130.477%0.77373%0.727SS**  trans-108.4127.8144.12.718.4000109.9
57S30.7Very low35.5Very low93 Ų93130 Ų13065%0.6573%0.725SS**  83.2123.854.6-172.70000114.2
58N29.2Very low35.4Very low126 Ų126128.5 Ų128.567%0.67472%0.718SS**  trans56.4113.5159.9-59.2-26.7000117.7
59Q32.5Very low35.2Very low164 Ų164128.7 Ų128.777%0.76671%0.711SS**  -167.8137.579.1-96.5137.9117.600109.6
60I30.8Very low35.3Very low130 Ų130132 Ų13267%0.66771%0.713SS**  67141.374.7-54.5170.6000112.8
61H31.1Very low35.2Very low156 Ų156131.1 Ų131.172%0.72271%0.712SS**  trans95.6118.6178.5-58.4-66.7000114.2
62S29.9Very low35Very low92 Ų92130.5 Ų130.564%0.64371%0.707SS**  cis73130.842.985.50000112.7
63S30.7Very low35Very low83 Ų83131 Ų13158%0.5870%0.699SS**  cis-164.8179.7-1.539.80000109
64D34.7Very low34.6Very low136 Ų136129 Ų12973%0.72769%0.688SS**  trans69.6165.2166.4-39.3-57.9000112.1
65E44.9Very low34.9Very low166 Ų166131 Ų13178%0.77669%0.692SS**  cis-131135.216.5-74.6-166139.200113.8
66N37.7Very low34.1Very low109 Ų109132.1 Ų132.158%0.58369%0.69SS**  51.8118.3126.6-50.2-36.2000121.6
67N30.3Very low34.2Very low131 Ų131135.1 Ų135.170%0.70169%0.693SS**  73.1155.9124.8-64.212.9000119
68E39.2Very low34.5Very low147 Ų147139.4 Ų139.469%0.68770%0.703SS**  cis-148.5165.96.8-137149.3-108.700110.9
69L31.5Very low34.9Very low112 Ų112140.1 Ų140.159%0.58671%0.713SS**  trans23.3130.1154-93.248.2000119.9
70W39.7Very low35.3Very low217 Ų217140.5 Ų140.582%0.82271%0.714SS**  cis-143.4132.741.2-75.487.8000114.7
71T29.5Very low35.8Very low114 Ų114140.5 Ų140.570%0.69971%0.711SS**  trans-98.4136156.448.40000109.8
72I34.6Very low36.4Very low144 Ų144140.1 Ų140.174%0.73871%0.708SS**  trans-166.5117.8145.3-90.8137.9000103.9
73K32.8Very low36.7Very low140 Ų140142.6 Ų142.661%0.60972%0.719SS**  cis88.7130.240.9-78.1-173.1111.9-70.20113.2
74D32.4Very low37Very low116 Ų116142.1 Ų142.162%0.6273%0.726SS**  trans64.2134.3151.5-42.1-15.9000114.3
75D42.4Very low36.9Very low135 Ų135145.4 Ų145.472%0.72273%0.729SS**  cis-140153.410.5-77.1-58.7000108.4
76I33Very low36.2Very low145 Ų145150 Ų15074%0.74474%0.739SS**  69.4147.365.3-53.4176.7000113.2
77E40.1Very low36.6Very low181 Ų181149.2 Ų149.285%0.84674%0.739SS**  trans81.998.3-170.5-55.2-179.5-176.900112.5
78E37.4Very low36.6Very low184 Ų184150.5 Ų150.586%0.8675%0.745SS**  60.390.257.1-61.6-166.5153.600114.2
79T38.2Very low36.4Very low141 Ų141148.7 Ų148.787%0.86575%0.748SS**  trans-157.9123.9132.83.10000112.3
80E39.2Very low36.6Very low172 Ų172149.2 Ų149.280%0.80476%0.761SS**  trans-16.1155.9143.2-43.3-172.6161.700115.7
81E41.4Very low36.2Very low129 Ų129142.8 Ų142.860%0.60376%0.762SS**  -164.1168.854.2-126.3-167.2169.800115.4
82K45.2Very low36.6Very low148 Ų148142 Ų14264%0.64377%0.767SS**  trans3296.6156.2-63.3160.5-172.2146.20116.5
83V34.8Very low36.7Very low145 Ų145140.1 Ų140.188%0.87977%0.767SS**  cis57106.148.9-169.20000114.7
84G37.8Very low37.1Very low72 Ų72142 Ų14274%0.74278%0.775SS**  trans-158.260.4174.100000111.7
85R32.7Very low37.5Very low205 Ų205143.1 Ų143.177%0.77478%0.781SS**  79.872.896-168.9-175.6175.9-179.6-0.1113.7T87R85-T87 HydrophobicContact CG-CG2 3.83Å
86W30.7Very low37.3Very low262 Ų262142.5 Ų142.599%0.99278%0.782SS**  trans-84.7103.2153.7-85.873.6000108.9
87T45.3Very low37.8Very low94 Ų94139.9 Ų139.958%0.57778%0.777SS**  trans-88.4110.6177.834.40000112.1R85R85-T87 HydrophobicContact CG-CG2 3.83Å
88L31.7Very low37.8Very low158 Ų158139.7 Ų139.783%0.82777%0.773SS**  trans-77.7157.3136.4-69174000109
89S33.9Very low38Very low108 Ų108138 Ų13876%0.75577%0.768SS**  trans75.4130.2174-28.60000117.2
90S35.5Very low38Very low124 Ų124140.2 Ų140.287%0.86777%0.766SS**  -171.5146.397.241.60000112.8
91G32.4Very low37.8Very low81 Ų81137.7 Ų137.784%0.83577%0.767SS**SBendtrans89104.1-174.800000112.7
92A36.6Very low37.5Very low98 Ų98137 Ų13781%0.8178%0.777SS**  cis-153.2-179.1-4.100000108.8
93S36.9Very low36.9Very low104 Ų104134.1 Ų134.173%0.72778%0.78SS**  cis-156.1-171.75.3-153.20000113.2
94K41.8Very low37Very low180 Ų180138.5 Ų138.578%0.78378%0.781SS**  trans-41.2145.4157.3-62.9156.2-173.21760112.7
95N40.1Very low37Very low139 Ų139141.6 Ų141.674%0.74378%0.781SS**  cis-146.3143.214-80.3-48000109.4
96V38.1Very low37.3Very low122 Ų122142.2 Ų142.274%0.73979%0.789SS**  59.5117.372.1177.90000111.5
97S43.9Very low37.6Very low91 Ų91137.4 Ų137.464%0.63678%0.775SS**  cis-163.515439.4730000118.1
98K40.8Very low37.3Very low177 Ų177140.5 Ų140.577%0.7778%0.783SS**  43.5133.3126-57.7167.6-168.9164.80119
99I40.8Very low37.9Very low148 Ų148138.7 Ų138.776%0.75978%0.783SS**  cis-168.4124.147.9-113.8140.9000108
100K39.4Very low38.6Very low187 Ų187141.8 Ų141.881%0.81378%0.783SS**  74.2131.189.4-170.2179.8-177.9176.80117
101S34Very low39.3Very low119 Ų119140.4 Ų140.483%0.83277%0.771SS**  trans75.3152.4178.478.70000115.2
102S36.2Very low40.4Very low116 Ų116141.5 Ų141.581%0.81176%0.762SS**  cis-131.4161.28.8-170.70000112.9
103A32.3Very low41.6Very low86 Ų86141.7 Ų141.771%0.71175%0.749SS**  trans-79.8141.2179.500000112.9
104R35.6Very low43.2Very low237 Ų237142.8 Ų142.889%0.89474%0.744SS**  trans-171.6161.9145-104158.9-158.4-170.74.9111.3
105N38.4Very low44.8Very low138 Ų138139 Ų13974%0.73873%0.729SS**  trans66.272.2162.1-58.9-3.5000118.2K107N105-K107 VanDerWaalsContact C-N 3.32Å; N105-K107 PolarHBondContact O-N 3Å
106K39.8Very low46.4Very low218 Ų218138.3 Ų138.395%0.94872%0.722SS**  trans-61.186.2151.3179.7-174.9-178.9-179.10109.8
107K36.4Very low48.3Very low161 Ų161137.8 Ų137.870%0.771%0.711SS**  trans-145.9123.1179.1-86.5-156.6171.9-162.90113.7N105N105-K107 VanDerWaalsContact C-N 3.32Å; N105-K107 PolarHBondContact O-N 3Å
108H38.7Very low50Low159 Ų159141.5 Ų141.574%0.73671%0.711SS**  trans48.5104158.1-43.7-64.6000119
109S44Very low51.9Low120 Ų120138.1 Ų138.184%0.83970%0.701SS**  trans-59.5145.8146.440.90000109.9
110K49Very low53.7Low172 Ų172136 Ų13675%0.74869%0.688SS**  trans-76.1146.4-176-64177-178.5176.80110.9T112K110-T112 HydrophobicContact CB-CG2 4.42Å; K110-T112 PolarHBondContact O-N 3.45Å; K110-T112 VanDerWaalsContact O-N 3.17Å
111P50Low55.6Low95 Ų95131.3 Ų131.362%0.61767%0.671SS**THydrogen-bonded Turntrans-74.91.1-177.531.8-37.1000114.5N113 M114P111-N113 PolarHBondContact O-N 3.21Å; P111-M114 HydrophobicContact CB-CE 4.38Å; P111-M114 PolarHBondContact O-N 3.27Å
112T55.3Low57.8Low105 Ų105133.1 Ų133.164%0.64466%0.66SS**Hα-helixtrans-60.2-21.6-168.149.10000115.2K110K110-T112 HydrophobicContact CB-CG2 4.42Å; K110-T112 PolarHBondContact O-N 3.45Å; K110-T112 VanDerWaalsContact O-N 3.17Å
113N62.2Low59.7Low101 Ų101129.4 Ų129.454%0.5463%0.634SS.*Hα-helixtrans-85-21.8179.2-176-125.7000113.3P111 E116 E117P111-N113 PolarHBondContact O-N 3.21Å; N113-E116 PolarHBondContact ND2-OE2 3.41Å; N113-E116 VanDerWaalsContact ND2-OE2 3.09Å; N113-E116 PolarHBondContact O-N 2.86Å; N113-E117 WeakPolarHBondContact O-CB 3.47Å; N113-E117 PolarHBondContact O-N 2.67Å
114M70.7Confident61.9Low128 Ų128130 Ų13063%0.63162%0.623SS**Hα-helixtrans-72.9-30.3174-72.9-167.5-54.500112.5P111 R118P111-M114 HydrophobicContact CB-CE 4.38Å; P111-M114 PolarHBondContact O-N 3.27Å; M114-R118 WeakPolarHBondContact O-CB 3.31Å; M114-R118 PolarHBondContact O-N 2.89Å
115E74.3Confident63.9Low99 Ų99121.3 Ų121.346%0.46360%0.598SS.*Hα-helixtrans-71.6-38.6174.4-149.470.7-124.400110.6R118 L119E115-R118 PolarHBondContact O-N 3.2Å; E115-R118 WeakPolarHBondContact OE1-CD 3.28Å; E115-R118 IonicContact OE1-CZ 2.82Å; E115-R118 IonicContact OE1-NE 2.59Å; E115-R118 IonicContact OE1-NH1 2.79Å; E115-R118 PolarHBondContact OE1-NH1 2.67Å; E115-L119 VanDerWaalsContact O-CB 3.31Å; E115-L119 WeakPolarHBondContact O-CB 3.37Å; E115-L119 WeakPolarHBondContact O-CD1 3.18Å; E115-L119 WeakPolarHBondContact O-CG 3.29Å; E115-L119 PolarHBondContact O-N 3.3Å
116E73.7Confident65.6Low125 Ų125117 Ų11758%0.58457%0.573SS**Hα-helixtrans-63.5-46.1173.3-173.3175.9-143.900111.8N113 L119 Q120N113-E116 PolarHBondContact ND2-OE2 3.41Å; N113-E116 VanDerWaalsContact ND2-OE2 3.09Å; N113-E116 PolarHBondContact O-N 2.86Å; E116-L119 PolarHBondContact O-N 3.09Å; E116-Q120 WeakPolarHBondContact O-CB 3.43Å; E116-Q120 PolarHBondContact O-N 2.95Å
117E78Confident67.3Low111 Ų111110.8 Ų110.852%0.51954%0.544SS..Hα-helixtrans-63-41.1173.7-175.8176.8-154.600112.1N113 Q120 I121N113-E117 WeakPolarHBondContact O-CB 3.47Å; N113-E117 PolarHBondContact O-N 2.67Å; E117-Q120 PolarHBondContact O-N 3.03Å; E117-I121 HydrophobicContact CG-CD1 4.06Å; E117-I121 WeakPolarHBondContact O-CB 3.21Å; E117-I121 VanDerWaalsContact O-CG1 3.27Å; E117-I121 WeakPolarHBondContact O-CG1 3.24Å; E117-I121 PolarHBondContact O-N 3.25Å
118R80.6Confident69.3Low169 Ų169108.3 Ų108.364%0.63854%0.538SS*.Hα-helixtrans-66.5-39.6176.2-179.6-176176.9-157.44.2112.5M114 E115 Y122M114-R118 WeakPolarHBondContact O-CB 3.31Å; M114-R118 PolarHBondContact O-N 2.89Å; E115-R118 PolarHBondContact O-N 3.2Å; E115-R118 WeakPolarHBondContact OE1-CD 3.28Å; E115-R118 IonicContact OE1-CZ 2.82Å; E115-R118 IonicContact OE1-NE 2.59Å; E115-R118 IonicContact OE1-NH1 2.79Å; E115-R118 PolarHBondContact OE1-NH1 2.67Å; R118-Y122 WeakPolarHBondContact O-CB 3.36Å; R118-Y122 PolarHBondContact O-N 3.27Å
119L79.7Confident71.2Confident106 Ų106104.7 Ų104.756%0.55553%0.527SS*.Hα-helixtrans-68-39174.2-74.5166.9000111.2E115 E116 Y122 S123E115-L119 VanDerWaalsContact O-CB 3.31Å; E115-L119 WeakPolarHBondContact O-CB 3.37Å; E115-L119 WeakPolarHBondContact O-CD1 3.18Å; E115-L119 WeakPolarHBondContact O-CG 3.29Å; E115-L119 PolarHBondContact O-N 3.3Å; E116-L119 PolarHBondContact O-N 3.09Å; L119-Y122 PolarHBondContact O-N 3.1Å; L119-S123 PolarHBondContact O-N 3.41Å; L119-S123 PolarHBondContact O-OG 3.13Å
120Q78.9Confident72.2Confident103 Ų103101.7 Ų101.748%0.48150%0.497SS..Hα-helixtrans-62.6-46.8173.2-178.358.445.700111.4E116 E117 Y122 S123 E124E116-Q120 WeakPolarHBondContact O-CB 3.43Å; E116-Q120 PolarHBondContact O-N 2.95Å; E117-Q120 PolarHBondContact O-N 3.03Å; Q120-Y122 VanDerWaalsContact C-N 3.28Å; Q120-Y122 PolarHBondContact O-N 3.27Å; Q120-S123 PolarHBondContact O-N 2.93Å; Q120-S123 PolarHBondContact O-OG 2.93Å; Q120-E124 WeakPolarHBondContact O-CB 3.35Å; Q120-E124 PolarHBondContact O-N 3.21Å
121I80.5Confident73.5Confident89 Ų8998.3 Ų98.346%0.45648%0.484SS..Hα-helixtrans-62.2-36.9175-69.8164.3000111E117 S125E117-I121 HydrophobicContact CG-CD1 4.06Å; E117-I121 WeakPolarHBondContact O-CB 3.21Å; E117-I121 VanDerWaalsContact O-CG1 3.27Å; E117-I121 WeakPolarHBondContact O-CG1 3.24Å; E117-I121 PolarHBondContact O-N 3.25Å; I121-S125 VanDerWaalsContact O-CB 3.22Å; I121-S125 WeakPolarHBondContact O-CB 3.42Å; I121-S125 PolarHBondContact O-N 3.46Å; I121-S125 PolarHBondContact O-OG 3.43Å
122Y79.2Confident74.9Confident157 Ų15795.9 Ų95.962%0.61647%0.472SS*.Hα-helixtrans-68.4-46.1176.9-175.8-101.5000112.1R118 L119 Q120 S125 Q126R118-Y122 WeakPolarHBondContact O-CB 3.36Å; R118-Y122 PolarHBondContact O-N 3.27Å; L119-Y122 PolarHBondContact O-N 3.1Å; Q120-Y122 VanDerWaalsContact C-N 3.28Å; Q120-Y122 PolarHBondContact O-N 3.27Å; Y122-S125 PolarHBondContact O-N 3.15Å; Y122-Q126 WeakPolarHBondContact O-CB 3.26Å; Y122-Q126 PolarHBondContact O-N 3.01Å
123S77.5Confident75.8Confident38 Ų3897.1 Ų97.127%0.26648%0.475SS..Hα-helixtrans-66.5-37.9177.266.50000112.1L119 Q120 Q126 R127L119-S123 PolarHBondContact O-N 3.41Å; L119-S123 PolarHBondContact O-OG 3.13Å; Q120-S123 PolarHBondContact O-N 2.93Å; Q120-S123 PolarHBondContact O-OG 2.93Å; S123-Q126 PolarHBondContact O-N 3.45Å; S123-R127 VanDerWaalsContact O-CB 3.26Å; S123-R127 WeakPolarHBondContact O-CB 3.4Å; S123-R127 PolarHBondContact O-N 2.96Å
124E76.5Confident76.3Confident100 Ų10097.1 Ų97.147%0.46748%0.478SS..Hα-helixtrans-69.3-39.3174.8-172.7166.7-169.700112Q120 R127 L128Q120-E124 WeakPolarHBondContact O-CB 3.35Å; Q120-E124 PolarHBondContact O-N 3.21Å; E124-R127 PolarHBondContact O-N 2.66Å; E124-L128 HydrophobicContact CG-CD1 4.39Å; E124-L128 WeakPolarHBondContact O-CB 3.37Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 3.2Å
125S79.4Confident76.2Confident53 Ų5398.6 Ų98.637%0.37148%0.483SS..Hα-helixtrans-63.1-43.6171.8-60.20000111.6I121 Y122 L128 V129I121-S125 VanDerWaalsContact O-CB 3.22Å; I121-S125 WeakPolarHBondContact O-CB 3.42Å; I121-S125 PolarHBondContact O-N 3.46Å; I121-S125 PolarHBondContact O-OG 3.43Å; Y122-S125 PolarHBondContact O-N 3.15Å; S125-L128 PolarHBondContact O-N 3.3Å; S125-V129 WeakPolarHBondContact O-CG2 3.17Å; S125-V129 PolarHBondContact O-N 2.93Å
126Q73.1Confident76Confident48 Ų4898.7 Ų98.722%0.22449%0.486CS..Hα-helixtrans-68.2-37.2177.6-154.8-168.837.700110.9Y122 S123 V129 R130 F1155Y122-Q126 WeakPolarHBondContact O-CB 3.26Å; Y122-Q126 PolarHBondContact O-N 3.01Å; S123-Q126 PolarHBondContact O-N 3.45Å; Q126-V129 PolarHBondContact O-N 3.29Å; Q126-R130 VanDerWaalsContact CD-NH2 3.31Å; Q126-R130 VanDerWaalsContact O-CG 3.23Å; Q126-R130 WeakPolarHBondContact O-CG 3.36Å; Q126-R130 PolarHBondContact O-N 3.07Å; Q126-F1155 HydrophobicContact CG-CD1 4.1Å
127R76.1Confident75.9Confident87 Ų8798.9 Ų98.933%0.32850%0.498SS..Hα-helixtrans-61.3-47.4171.9-177.6178.9179.1-133.1-16.4111.3S123 E124 V129 R130 E131S123-R127 VanDerWaalsContact O-CB 3.26Å; S123-R127 WeakPolarHBondContact O-CB 3.4Å; S123-R127 PolarHBondContact O-N 2.96Å; E124-R127 PolarHBondContact O-N 2.66Å; R127-V129 VanDerWaalsContact C-N 3.34Å; R127-V129 PolarHBondContact O-N 2.87Å; R127-R130 CarbonylContact O-C 3.59Å; R127-R130 WeakPolarHBondContact O-CB 3.25Å; R127-R130 PolarHBondContact O-N 3.41Å; R127-E131 HydrophobicContact CG-CG 4.19Å; R127-E131 IonicContact CZ-OE1 3.88Å; R127-E131 IonicContact CZ-OE2 2.74Å; R127-E131 VanDerWaalsContact CZ-OE2 3.24Å; R127-E131 IonicContact NE-OE1 3.66Å; R127-E131 PolarHBondContact NE-OE1 2.8Å; R127-E131 IonicContact NE-OE2 3.93Å; R127-E131 PolarHBondContact NE-OE2 3.08Å; R127-E131 VanDerWaalsContact NE-OE2 3.12Å; R127-E131 VanDerWaalsContact NH2-CD 3.32Å; R127-E131 IonicContact NH2-OE1 3.73Å; R127-E131 PolarHBondContact NH2-OE1 2.97Å; R127-E131 IonicContact NH2-OE2 3.96Å; R127-E131 PolarHBondContact NH2-OE2 3.48Å; R127-E131 WeakPolarHBondContact O-CB 3.46Å; R127-E131 WeakPolarHBondContact O-CG 3.29Å; R127-E131 PolarHBondContact O-N 3.18Å
128L78.5Confident75.5Confident109 Ų10998.2 Ų98.257%0.57150%0.502SS*.Hα-helixtrans-62.2-39177.8-75.4167000112.4E124 S125 E131 A132E124-L128 HydrophobicContact CG-CD1 4.39Å; E124-L128 WeakPolarHBondContact O-CB 3.37Å; E124-L128 VanDerWaalsContact O-CG 3.3Å; E124-L128 WeakPolarHBondContact O-CG 3.34Å; E124-L128 PolarHBondContact O-N 3.2Å; S125-L128 PolarHBondContact O-N 3.3Å; L128-E131 PolarHBondContact O-N 3.32Å; L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.18Å
129V77.3Confident75.2Confident83 Ų8397.3 Ų97.350%0.50350%0.504SS..Hα-helixtrans-71.1-33.7175.4176.50000111.9S125 Q126 R127 F1155S125-V129 WeakPolarHBondContact O-CG2 3.17Å; S125-V129 PolarHBondContact O-N 2.93Å; Q126-V129 PolarHBondContact O-N 3.29Å; R127-V129 VanDerWaalsContact C-N 3.34Å; R127-V129 PolarHBondContact O-N 2.87Å; V129-F1155 HydrophobicContact CG1-CE1 3.96Å; V129-F1155 HydrophobicContact CG1-CE2 4.19Å; V129-F1155 HydrophobicContact CG1-CZ 3.46Å; V129-F1155 VanDerWaalsContact CG1-CZ 3.46Å
130R65.3Low74.8Confident58 Ų58102.3 Ų102.322%0.21952%0.516CS..Hα-helixtrans-66.2-47.4169.5-69169.9-158.4-1227.4111.2Q126 R127 A132 K1151 F1155 E1156Q126-R130 VanDerWaalsContact CD-NH2 3.31Å; Q126-R130 VanDerWaalsContact O-CG 3.23Å; Q126-R130 WeakPolarHBondContact O-CG 3.36Å; Q126-R130 PolarHBondContact O-N 3.07Å; R127-R130 CarbonylContact O-C 3.59Å; R127-R130 WeakPolarHBondContact O-CB 3.25Å; R127-R130 PolarHBondContact O-N 3.41Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 2.9Å; R130-K1151 WeakPolarHBondContact O-CE 3.24Å; R130-K1151 PolarHBondContact O-NZ 2.87Å; R130-F1155 HydrophobicContact CG-CB 3.71Å; R130-F1155 HydrophobicContact CG-CD2 3.9Å; R130-F1155 HydrophobicContact CG-CG 3.8Å; R130-F1155 PolarHBondContact NH1-O 2.73Å; R130-E1156 VanDerWaalsContact CZ-O 3.26Å; R130-E1156 PolarHBondContact NH1-O 2.92Å; R130-E1156 PolarHBondContact NH2-O 3.13Å
131E77.4Confident74.6Confident100 Ų100100.9 Ų100.947%0.46752%0.516SS..Hα-helixtrans-79.8-10.1-173.9-70.6179.316900113.8R127 L128 D133R127-E131 HydrophobicContact CG-CG 4.19Å; R127-E131 IonicContact CZ-OE1 3.88Å; R127-E131 IonicContact CZ-OE2 2.74Å; R127-E131 VanDerWaalsContact CZ-OE2 3.24Å; R127-E131 IonicContact NE-OE1 3.66Å; R127-E131 PolarHBondContact NE-OE1 2.8Å; R127-E131 IonicContact NE-OE2 3.93Å; R127-E131 PolarHBondContact NE-OE2 3.08Å; R127-E131 VanDerWaalsContact NE-OE2 3.12Å; R127-E131 VanDerWaalsContact NH2-CD 3.32Å; R127-E131 IonicContact NH2-OE1 3.73Å; R127-E131 PolarHBondContact NH2-OE1 2.97Å; R127-E131 IonicContact NH2-OE2 3.96Å; R127-E131 PolarHBondContact NH2-OE2 3.48Å; R127-E131 WeakPolarHBondContact O-CB 3.46Å; R127-E131 WeakPolarHBondContact O-CG 3.29Å; R127-E131 PolarHBondContact O-N 3.18Å; L128-E131 PolarHBondContact O-N 3.32Å; E131-D133 PolarHBondContact O-N 2.59Å
132A78.9Confident74.5Confident45 Ų45104.7 Ų104.737%0.37253%0.529SS..SBendtrans-64.4129.4174.500000112.5L128 R130 V134L128-A132 WeakPolarHBondContact O-CB 3.47Å; L128-A132 PolarHBondContact O-N 3.18Å; R130-A132 VanDerWaalsContact C-N 3.33Å; R130-A132 PolarHBondContact O-N 2.9Å; A132-V134 PolarHBondContact O-N 2.77Å
133D74.5Confident74.7Confident131 Ų131106.4 Ų106.470%0.70154%0.542SS*.  trans-77.482.7173.6-68.6-41.3000111.1E131 H135E131-D133 PolarHBondContact O-N 2.59Å; D133-H135 VanDerWaalsContact C-N 3.32Å; D133-H135 PolarHBondContact O-N 2.78Å; D133-H135 PolarHBondContact O-ND1 3.24Å
134V71.4Confident75Confident101 Ų101107.7 Ų107.761%0.61254%0.543SS*.  trans-69.886.9174.4-1760000110A132A132-V134 PolarHBondContact O-N 2.77Å
135H69.7Low75.2Confident159 Ų159112.6 Ų112.674%0.73656%0.563SS**  trans-76.9117.9173.7-69.577.5000110.4D133D133-H135 VanDerWaalsContact C-N 3.32Å; D133-H135 PolarHBondContact O-N 2.78Å; D133-H135 PolarHBondContact O-ND1 3.24Å
136L68.9Low75.3Confident101 Ų101113.2 Ų113.253%0.52957%0.567SS.*  trans-70.3140.6165.6-69.7175.5000110.2V138 L1147L136-V138 PolarHBondContact O-N 3.17Å; L136-V138 VanDerWaalsContact O-N 3.08Å; L136-L1147 HydrophobicContact CD1-CD1 3.88Å; L136-L1147 HydrophobicContact CD1-CG 4.47Å; L136-L1147 HydrophobicContact CG-CD1 4.07Å
137P73.5Confident75.4Confident128 Ų128117.7 Ų117.783%0.83159%0.586SS**  trans-61.1111.8174-23.734.6000111.4H139P137-H139 PolarHBondContact O-N 3Å
138V67.8Low75.7Confident98 Ų98117 Ų11759%0.59460%0.595SS**  trans-66.5107.2-178.3-178.90000110.3L136 R140L136-V138 PolarHBondContact O-N 3.17Å; L136-V138 VanDerWaalsContact O-N 3.08Å; V138-R140 PolarHBondContact O-N 2.66Å
139H75.7Confident75.8Confident149 Ų149115.1 Ų115.169%0.6958%0.583SS**  trans-66.9104.6173.4177.820.6000110.1P137P137-H139 PolarHBondContact O-N 3Å
140R70.9Confident76.1Confident211 Ų211114.4 Ų114.480%0.79657%0.573SS**PPolyproline II helixtrans-75.8122.8165.2-65.1-176179.8-176.90.2109V138V138-R140 PolarHBondContact O-N 2.66Å
141P75.3Confident77Confident74 Ų74118.8 Ų118.848%0.48159%0.589SS.*PPolyproline II helixtrans-63.4148.817426.5-33.8000110.5Q143P141-Q143 PolarHBondContact O-N 2.96Å
142K77.6Confident77.2Confident169 Ų169120.3 Ų120.374%0.73560%0.597SS**PPolyproline II helixtrans-63.2124.5176-69.8179.6-179.8176.30109.3F144K142-F144 HydrophobicContact CB-CE1 3.96Å; K142-F144 HydrophobicContact CB-CE2 4Å; K142-F144 HydrophobicContact CB-CZ 3.61Å; K142-F144 HydrophobicContact CD-CE1 4.33Å; K142-F144 HydrophobicContact CD-CZ 4.18Å; K142-F144 WeakPolarHBondContact O-CD2 3.25Å; K142-F144 WeakPolarHBondContact O-CE2 3.22Å; K142-F144 PolarHBondContact O-N 3.43Å
143Q83.2Confident77.2Confident192 Ų192121 Ų12190%0.89760%0.598SS**  trans-86.499.1174.9-70.8-175.1-25.900109.5P141P141-Q143 PolarHBondContact O-N 2.96Å
144F83.7Confident77.2Confident65 Ų65120.2 Ų120.229%0.28559%0.594SS.*  trans-76.5139.3174-54.3-70.3000110.3K142 E149 F150 S153K142-F144 HydrophobicContact CB-CE1 3.96Å; K142-F144 HydrophobicContact CB-CE2 4Å; K142-F144 HydrophobicContact CB-CZ 3.61Å; K142-F144 HydrophobicContact CD-CE1 4.33Å; K142-F144 HydrophobicContact CD-CZ 4.18Å; K142-F144 WeakPolarHBondContact O-CD2 3.25Å; K142-F144 WeakPolarHBondContact O-CE2 3.22Å; K142-F144 PolarHBondContact O-N 3.43Å; F144-E149 HydrophobicContact CB-CB 4.18Å; F144-E149 HydrophobicContact CB-CG 4.25Å; F144-E149 HydrophobicContact CD1-CB 4.41Å; F144-E149 HydrophobicContact CD1-CG 3.77Å; F144-E149 HydrophobicContact CG-CG 4.44Å; F144-F150 HydrophobicContact CB-CB 4.14Å; F144-F150 HydrophobicContact CD2-CB 3.85Å; F144-F150 AromaticContact CD2-CD2 3.69Å; F144-F150 HydrophobicContact CD2-CD2 3.69Å; F144-F150 HydrophobicContact CD2-CG 4.26Å; F144-F150 AromaticContact CE2-CD2 3.8Å; F144-F150 HydrophobicContact CE2-CD2 3.8Å; F144-F150 HydrophobicContact CG-CB 4.1Å; F144-S153 VanDerWaalsContact CZ-CB 3.42Å; F144-S153 WeakPolarHBondContact CZ-OG 3.23Å
145K80.5Confident77.3Confident203 Ų203122 Ų12288%0.88359%0.593SS**SBendtrans-74.9-29.3-178.8-67.5-176.2177.1-177.10112.7E149K145-E149 PolarHBondContact N-OE2 2.92Å
146C81.9Confident76.6Confident66 Ų66117.2 Ų117.245%0.44659%0.587SS.*SBendtrans-139.6161.8178.569.80000112.4S148 E149 F150C146-S148 PolarHBondContact O-N 3.26Å; C146-E149 PolarHBondContact O-N 3.47Å; C146-E149 PolarHBondContact SG-N 2.67Å; C146-E149 VanDerWaalsContact SG-N 3.41Å; C146-F150 PolarHBondContact O-N 3.29Å
147F76.2Confident75.2Confident142 Ų142116.8 Ų116.862%0.62359%0.591SS**Hα-helixtrans-62.9-29.9178.4-174.3-120.1000112.6F150 R151F147-F150 AromaticContact CD2-CD1 3.9Å; F147-F150 HydrophobicContact CD2-CD1 3.9Å; F147-F150 AromaticContact CE2-CD1 3.89Å; F147-F150 HydrophobicContact CE2-CD1 3.89Å; F147-F150 HydrophobicContact CE2-CE1 4.21Å; F147-F150 PolarHBondContact O-N 3.47Å; F147-R151 HydrophobicContact CD1-CG 4.44Å; F147-R151 HydrophobicContact CE1-CG 4.16Å; F147-R151 HydrophobicContact CE2-CG 4.41Å; F147-R151 HydrophobicContact CZ-CG 4.13Å; F147-R151 WeakPolarHBondContact O-CG 3.37Å; F147-R151 PolarHBondContact O-N 2.99Å
148S81.7Confident73.8Confident74 Ų74116.1 Ų116.152%0.51758%0.575SS.*Hα-helixtrans-65-42.8175.3-47.80000112.3C146 R151 Q152C146-S148 PolarHBondContact O-N 3.26Å; S148-R151 PolarHBondContact O-N 2.89Å; S148-Q152 WeakPolarHBondContact O-CB 3.15Å; S148-Q152 VanDerWaalsContact O-CG 3.25Å; S148-Q152 WeakPolarHBondContact O-CG 3.25Å; S148-Q152 PolarHBondContact O-N 3.49Å
149E79.8Confident72.6Confident69 Ų69116.4 Ų116.432%0.32258%0.582SS.*Hα-helixtrans-65.7-39.1176.4-168.6-165.4166.300111F144 K145 C146 Q152 S153F144-E149 HydrophobicContact CB-CB 4.18Å; F144-E149 HydrophobicContact CB-CG 4.25Å; F144-E149 HydrophobicContact CD1-CB 4.41Å; F144-E149 HydrophobicContact CD1-CG 3.77Å; F144-E149 HydrophobicContact CG-CG 4.44Å; K145-E149 PolarHBondContact N-OE2 2.92Å; C146-E149 PolarHBondContact O-N 3.47Å; C146-E149 PolarHBondContact SG-N 2.67Å; C146-E149 VanDerWaalsContact SG-N 3.41Å; E149-Q152 PolarHBondContact O-N 3.28Å; E149-S153 PolarHBondContact O-N 3.2Å
150F84.6Confident70.8Confident67 Ų67114.6 Ų114.629%0.29458%0.578SS.*Hα-helixtrans-60.8-48.5170.3173.2-115000111.9F144 C146 F147 Q152 S153 L154F144-F150 HydrophobicContact CB-CB 4.14Å; F144-F150 HydrophobicContact CD2-CB 3.85Å; F144-F150 AromaticContact CD2-CD2 3.69Å; F144-F150 HydrophobicContact CD2-CD2 3.69Å; F144-F150 HydrophobicContact CD2-CG 4.26Å; F144-F150 AromaticContact CE2-CD2 3.8Å; F144-F150 HydrophobicContact CE2-CD2 3.8Å; F144-F150 HydrophobicContact CG-CB 4.1Å; C146-F150 PolarHBondContact O-N 3.29Å; F147-F150 AromaticContact CD2-CD1 3.9Å; F147-F150 HydrophobicContact CD2-CD1 3.9Å; F147-F150 AromaticContact CE2-CD1 3.89Å; F147-F150 HydrophobicContact CE2-CD1 3.89Å; F147-F150 HydrophobicContact CE2-CE1 4.21Å; F147-F150 PolarHBondContact O-N 3.47Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; F150-Q152 PolarHBondContact O-N 3.09Å; F150-S153 PolarHBondContact O-N 3.38Å; F150-S153 VanDerWaalsContact O-N 3.15Å; F150-S153 PolarHBondContact O-OG 3.26Å; F150-L154 HydrophobicContact CD1-CD1 4.12Å; F150-L154 HydrophobicContact CD2-CG 4.5Å; F150-L154 HydrophobicContact CE1-CD1 3.58Å; F150-L154 HydrophobicContact CE1-CG 4.49Å; F150-L154 HydrophobicContact CE2-CD1 4.05Å; F150-L154 HydrophobicContact CE2-CD2 4.4Å; F150-L154 HydrophobicContact CE2-CG 4.16Å; F150-L154 HydrophobicContact CZ-CD1 3.56Å; F150-L154 HydrophobicContact CZ-CD2 4.48Å; F150-L154 HydrophobicContact CZ-CG 4.17Å; F150-L154 PolarHBondContact O-N 3.11Å
151R84.8Confident69Low150 Ų150113.7 Ų113.757%0.56658%0.582SS**Hα-helixtrans-64.4-34.4176.6-71.8-168.577.4174.25.1113.1F147 S148 L154 K155F147-R151 HydrophobicContact CD1-CG 4.44Å; F147-R151 HydrophobicContact CE1-CG 4.16Å; F147-R151 HydrophobicContact CE2-CG 4.41Å; F147-R151 HydrophobicContact CZ-CG 4.13Å; F147-R151 WeakPolarHBondContact O-CG 3.37Å; F147-R151 PolarHBondContact O-N 2.99Å; S148-R151 PolarHBondContact O-N 2.89Å; R151-L154 PolarHBondContact O-N 3.16Å; R151-K155 PolarHBondContact O-N 3.21Å
152Q80.5Confident67.3Low133 Ų133115.8 Ų115.862%0.62159%0.594SS**Hα-helixtrans-63-41.8171.9-74.9166-1.300111.2S148 E149 F150 L154 K155S148-Q152 WeakPolarHBondContact O-CB 3.15Å; S148-Q152 VanDerWaalsContact O-CG 3.25Å; S148-Q152 WeakPolarHBondContact O-CG 3.25Å; S148-Q152 PolarHBondContact O-N 3.49Å; E149-Q152 PolarHBondContact O-N 3.28Å; F150-Q152 VanDerWaalsContact C-N 3.34Å; F150-Q152 PolarHBondContact O-N 3.09Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.5Å; Q152-K155 PolarHBondContact O-N 3.35Å
153S78.7Confident65.5Low58 Ų58116.9 Ų116.941%0.40660%0.598SS.*Hα-helixtrans-65.7-33.517581.80000113.5F144 E149 F150F144-S153 VanDerWaalsContact CZ-CB 3.42Å; F144-S153 WeakPolarHBondContact CZ-OG 3.23Å; E149-S153 PolarHBondContact O-N 3.2Å; F150-S153 PolarHBondContact O-N 3.38Å; F150-S153 VanDerWaalsContact O-N 3.15Å; F150-S153 PolarHBondContact O-OG 3.26Å
154L74.1Confident63.2Low115 Ų115112.4 Ų112.460%0.60259%0.588SS**Hα-helixtrans-75.6-28176.1-72.2178.1000113.5F150 R151 Q152 G156F150-L154 HydrophobicContact CD1-CD1 4.12Å; F150-L154 HydrophobicContact CD2-CG 4.5Å; F150-L154 HydrophobicContact CE1-CD1 3.58Å; F150-L154 HydrophobicContact CE1-CG 4.49Å; F150-L154 HydrophobicContact CE2-CD1 4.05Å; F150-L154 HydrophobicContact CE2-CD2 4.4Å; F150-L154 HydrophobicContact CE2-CG 4.16Å; F150-L154 HydrophobicContact CZ-CD1 3.56Å; F150-L154 HydrophobicContact CZ-CD2 4.48Å; F150-L154 HydrophobicContact CZ-CG 4.17Å; F150-L154 PolarHBondContact O-N 3.11Å; R151-L154 PolarHBondContact O-N 3.16Å; Q152-L154 VanDerWaalsContact C-N 3.33Å; Q152-L154 PolarHBondContact O-N 3.5Å; L154-G156 PolarHBondContact O-N 3.42Å
155K73.9Confident60.5Low138 Ų138115.3 Ų115.360%0.662%0.615SS**THydrogen-bonded Turntrans-68.42179-89.4-160.1169.4-1580114R151 Q152 C157 D416R151-K155 PolarHBondContact O-N 3.21Å; Q152-K155 PolarHBondContact O-N 3.35Å; K155-C157 PolarHBondContact O-N 3.16Å; K155-D416 IonicContact NZ-OD1 3.27Å
156G54.7Low58.4Low59 Ų59114.1 Ų114.161%0.60861%0.613SS**THydrogen-bonded Turntrans67.38.6169.500000115.2L154 K158L154-G156 PolarHBondContact O-N 3.42Å; G156-K158 PolarHBondContact O-N 2.91Å
157C41Very low56.1Low92 Ų92116.9 Ų116.962%0.62263%0.628SS**  trans-63.2101-177.8-56.40000110.4K155 S159K155-C157 PolarHBondContact O-N 3.16Å; C157-S159 PolarHBondContact O-N 3.17Å
158K44.1Very low53.9Low114 Ų114115.3 Ų115.350%0.49663%0.634SS.*  trans-66.869.3166.6-75.8166.4156.7-167.40109.9G156 N160 E410 E411G156-K158 PolarHBondContact O-N 2.91Å; K158-N160 PolarHBondContact O-N 3.24Å; K158-N160 PolarHBondContact O-OD1 2.51Å; K158-E410 IonicContact NZ-OE2 3.94Å; K158-E410 PolarHBondContact NZ-OE2 3.16Å; K158-E411 WeakPolarHBondContact CD-OE1 3.42Å; K158-E411 WeakPolarHBondContact CD-OE2 3.3Å; K158-E411 WeakPolarHBondContact CE-OE1 3.22Å; K158-E411 IonicContact NZ-OE1 2.84Å; K158-E411 PolarHBondContact NZ-OE1 3.43Å
159S42.6Very low51.9Low105 Ų105117.3 Ų117.373%0.73465%0.648SS**  trans-73.485168.956.10000108.8C157C157-S159 PolarHBondContact O-N 3.17Å
160N37.7Very low49.7Very low111 Ų111122.4 Ų122.459%0.59467%0.672SS**  trans-25.6136.5171.9-58-33.9000113.3K158 T162K158-N160 PolarHBondContact O-N 3.24Å; K158-N160 PolarHBondContact O-OD1 2.51Å; N160-T162 VanDerWaalsContact C-N 3.32Å; N160-T162 WeakPolarHBondContact O-CB 3.4Å; N160-T162 WeakPolarHBondContact O-CG2 3.42Å; N160-T162 PolarHBondContact O-N 3.2Å; N160-T162 PolarHBondContact O-OG1 3.07Å
161E33Very low47.6Very low191 Ų191127 Ų12789%0.89370%0.7SS**  trans-53.982.2-172-64-168.9131.900114.8
162T39.2Very low45.1Very low118 Ų118128.5 Ų128.572%0.72471%0.711SS**  trans-122.163.6-171.244.20000111.5N160N160-T162 VanDerWaalsContact C-N 3.32Å; N160-T162 WeakPolarHBondContact O-CB 3.4Å; N160-T162 WeakPolarHBondContact O-CG2 3.42Å; N160-T162 PolarHBondContact O-N 3.2Å; N160-T162 PolarHBondContact O-OG1 3.07Å
163K38.9Very low43Very low192 Ų192129.4 Ų129.484%0.83572%0.719SS**  trans41.1119.3133.5-59169.2-173.31700117.5
164S35.6Very low40.7Very low98 Ų98134.2 Ų134.269%0.68573%0.734SS**  trans75.490.6154.9-149.30000116.4E166S164-E166 PolarHBondContact O-N 3.45Å; S164-E166 VanDerWaalsContact O-N 3.16Å
165C27.3Very low38.7Very low126 Ų126132.8 Ų132.885%0.85173%0.734SS**  trans-71.996151-174.30000108.2
166E37.1Very low36.7Very low179 Ų179133.5 Ų133.584%0.83674%0.744SS**  trans-87.4122.9163.8-78.8-167.2141.900109.7S164S164-E166 PolarHBondContact O-N 3.45Å; S164-E166 VanDerWaalsContact O-N 3.16Å
167T31.6Very low35.5Very low123 Ų123136.5 Ų136.576%0.75576%0.755SS**  trans-81154-179.650.10000112.5
168S31.4Very low35.1Very low109 Ų109136.9 Ų136.976%0.76276%0.759SS**  trans71116.8162.5-168.70000117.8
169S39.2Very low34.5Very low116 Ų116137.3 Ų137.381%0.81177%0.771SS**  -167.4140.6106.8-78.60000112
170Q34.3Very low33.9Very low177 Ų177139 Ų13983%0.82777%0.767SS**  trans-72.4149.5174.8-60.7167-2000112.1
171N38.9Very low33.8Very low162 Ų162141.8 Ų141.887%0.86677%0.774SS**  trans165.496.8155.1-86.5-45.8000106.1
172K34.2Very low33.8Very low183 Ų183141 Ų14180%0.79677%0.77SS**  cis56.293.146.4-161.3165.4-170.9166.30113.6
173L35.5Very low33.7Very low151 Ų151139.8 Ų139.879%0.79177%0.765SS**  trans178.9121.9145.7-90.9165000105.7
174H30.2Very low33.5Very low159 Ų159138.1 Ų138.174%0.73676%0.763SS**  54.9135.689.1-75.4-104.6000114.4
175S31.9Very low33.5Very low85 Ų85139.1 Ų139.159%0.59477%0.768SS**  cis-178.5153.50.147.80000112.5
176D32.8Very low33.6Very low153 Ų153136.3 Ų136.382%0.81876%0.76SS**  trans66.6159.2144.8-55.5-16.5000123.4
177C29.7Very low33.5Very low123 Ų123137.1 Ų137.183%0.83176%0.764SS**  trans79.393.2161.4-1460000116.4
178S32.1Very low33.4Very low100 Ų100135.3 Ų135.370%0.69976%0.756SS**  83107.352.2-164.90000115.8
179T30.5Very low33.4Very low123 Ų123136.1 Ų136.176%0.75576%0.757SS**  trans48.2130.4133.2-23.80000122
180H31.7Very low33.1Very low139 Ų139139.7 Ų139.764%0.64475%0.752SS**  trans95.4154.4146.9-150.8-91.4000119.8
181F34.4Very low33.3Very low171 Ų171135.8 Ų135.875%0.7574%0.737SS**  trans7892.5177.3-56.6-75.7000117.2
182Q32.5Very low33.3Very low173 Ų173134.7 Ų134.781%0.80873%0.727SS**  74.3144.787.2-70-85.6-32.700115.1
183P37.5Very low33.6Very low94 Ų94133.1 Ų133.161%0.6172%0.722SS**  trans-128.3-177.5-137.744.1-31000117.2
184I35.7Very low33.5Very low156 Ų156131.1 Ų131.180%0.872%0.717SS**  trans75.8151.7163.4-59.5164.1000115.1
185P35.9Very low34Very low120 Ų120130.6 Ų130.678%0.77972%0.715SS**  cis-124.3169-8.828.7-8.8000116.9
186G29.5Very low34.2Very low67 Ų67132.6 Ų132.669%0.69172%0.718SS**  trans-76.8-145.3177.500000120
187Q33.4Very low34.6Very low195 Ų195132.8 Ų132.891%0.91172%0.715SS**  trans79147.3-172.1-45.5-173600114.6
188S30.8Very low35Very low86 Ų86133.4 Ų133.460%0.60171%0.709SS**  cis-160.2126.47.7-1500000114.8
189T31.7Very low35.2Very low126 Ų126134.9 Ų134.977%0.77371%0.709SS**  trans57.8164.3140.467.40000119.7
190R33.2Very low35.5Very low191 Ų191135.5 Ų135.572%0.72171%0.706SS**  cis-171.4141.132-168.3156.5168.3154.75.4115.5
191N37.5Very low35.7Very low95 Ų95138.5 Ų138.551%0.50872%0.717SS.*  trans67.9161.9149.9-75.417.5000120.5
192E39.8Very low36.4Very low138 Ų138136 Ų13665%0.64572%0.718SS**  cis-167.1161-1.9-113.5153.6-176.500107.3
193E38.7Very low36.2Very low150 Ų150136.7 Ų136.770%0.70172%0.719SS**  cis-168.8123.7-4.6-148.5165.9-159.800110.9
194T34.8Very low35.9Very low110 Ų110137.2 Ų137.268%0.67572%0.72SS**  trans63.4158.9143.360.80000122.5
195E39.8Very low35.7Very low148 Ų148133.5 Ų133.569%0.69271%0.708SS**  cis-172.8153.5-6.4-110.4171-144.700113.7
196N35.6Very low35.6Very low126 Ų126134.7 Ų134.767%0.67470%0.703SS**  trans64.5154.2136.3-64.4-12.4000123.2
197E41.9Very low35.9Very low158 Ų158135.2 Ų135.274%0.73871%0.709SS**  cis-174.4137.3-6.1165.2-177.3-175.700114.1
198L39Very low35.8Very low135 Ų135134.4 Ų134.471%0.70770%0.698SS**  trans53.6130.8150.6-64.7172.3000128.2
199D36.3Very low36.2Very low131 Ų131134.6 Ų134.670%0.70170%0.699SS**  104.2146.2117.7-101.3-29.6000129.7
200I35.5Very low36.3Very low136 Ų136135.2 Ų135.270%0.69770%0.697SS**  trans72.893.7146.7-68.1157.2000122.8
201K36.1Very low36.4Very low202 Ų202132.8 Ų132.888%0.87870%0.698SS**  53.4159.6120-74.9-179.8177.9176.50124.4
202P49Very low36.5Very low118 Ų118136.8 Ų136.877%0.76671%0.713SS**  trans-115.5167.4-160.643-34.2000117.1
203F28.2Very low36.6Very low189 Ų189135.2 Ų135.283%0.82972%0.715SS**  trans-167.6128.6151.4-149.7-128.7000113.3
204V32.2Very low36.4Very low104 Ų104133.6 Ų133.663%0.6372%0.715SS**  42.9135.7127.3168.10000119.1
205S32.1Very low36.3Very low78 Ų78134.2 Ų134.255%0.54571%0.714SS.*  -179.6154.773.7-146.70000117.9
206Q32.9Very low36.1Very low146 Ų146133.3 Ų133.368%0.68271%0.713SS**  trans50.1134.8138.8-75161.3-38.400122.8Y208Q206-Y208 HydrophobicContact CB-CD2 4.28Å; Q206-Y208 HydrophobicContact CB-CE2 3.85Å; Q206-Y208 HydrophobicContact CG-CE2 3.66Å; Q206-Y208 PolarHBondContact NE2-OH 3.07Å
207G35.3Very low35.8Very low78 Ų78134 Ų13480%0.80472%0.716SS**  trans-167.944.9176.100000116.8
208Y32Very low35.1Very low178 Ų178130.8 Ų130.870%0.69871%0.71SS**  trans-13151.3157.1-60.7-75000118.2Q206Q206-Y208 HydrophobicContact CB-CD2 4.28Å; Q206-Y208 HydrophobicContact CB-CE2 3.85Å; Q206-Y208 HydrophobicContact CG-CE2 3.66Å; Q206-Y208 PolarHBondContact NE2-OH 3.07Å
209S39Very low34.7Very low89 Ų89130.4 Ų130.462%0.62271%0.714SS**  cis-178.1178.323.3-133.50000113.8
210I33.1Very low34.3Very low140 Ų140129.5 Ų129.572%0.71871%0.714SS**  trans76.8130.3145-73.6159.3000117.4
211D36.3Very low34Very low139 Ų139129.7 Ų129.774%0.74372%0.715SS**  cis-156.4167.7-12.8-100.7-19.3000110.8
212H38.2Very low33.9Very low179 Ų179127.9 Ų127.983%0.82971%0.71SS**  trans-99.5-150172.7-47.1-60.1000110.5
213P43Very low33.7Very low105 Ų105126.8 Ų126.868%0.68270%0.703SS**  cis-139-159.5-19.928.8-3.3000113.7
214V33.6Very low34.3Very low117 Ų117123 Ų12371%0.70970%0.697SS**  trans79.7135.4134.8137.10000116.6
215D32.8Very low34.9Very low123 Ų123122.9 Ų122.966%0.65870%0.699SS**  cis-161.415612.7-122.8-11000115.2
216I35.7Very low34.9Very low128 Ų128127 Ų12766%0.65671%0.711SS**  trans70.2113.7137.1-72.1167.5000122.4
217D30.1Very low35Very low140 Ų140125.4 Ų125.475%0.74972%0.716SS**  43.4156.4122.1-71.9-27.6000123
218C27.6Very low35.1Very low91 Ų91126.3 Ų126.362%0.61571%0.71SS**  cis175.6160.1-25.6-116.20000107.5
219T28.9Very low35.3Very low128 Ų128124.3 Ų124.379%0.78571%0.711SS**  trans65.4157.5149.459.70000118.1
220T28.3Very low35.1Very low112 Ų112124.2 Ų124.269%0.68772%0.716SS**  cis-170.4143.6-10.6-103.30000112
221L29.4Very low35.5Very low139 Ų139126.5 Ų126.573%0.72872%0.721SS**  trans50.1116.9152.4-68.9173.9000123
222E33.6Very low35.8Very low164 Ų164125.1 Ų125.177%0.76672%0.72SS**  68.5175.1108.2-106.5-143.8121.400120.4
223P44.8Very low35.7Very low95 Ų95121.5 Ų121.562%0.61771%0.714SS**  trans-127.1-123.3-134.634.2-6.2000109.8
224P42.4Very low35.3Very low109 Ų109124 Ų12471%0.70872%0.721SS**  cis-117.6-106.3-31.6222.3000115.6
225P43.4Very low35.2Very low103 Ų103124.3 Ų124.367%0.66972%0.719SS**  -129.4-154.3-122.640.2-20.1000115.5
226M33Very low35.3Very low163 Ų163123.7 Ų123.780%0.80372%0.719SS**  trans101.1130154.4-48.3-169.686.200120
227S34.6Very low35Very low113 Ų113123 Ų12379%0.7972%0.721SS**  trans69.4150.4144.564.10000120.1
228S36.7Very low35.1Very low97 Ų97121.3 Ų121.368%0.67872%0.72SS**  cis-169.4-178.2-14.649.40000112.4
229D36.9Very low35.6Very low136 Ų136125.6 Ų125.673%0.72773%0.731SS**  trans98.7161.8141.7-87.3-66.1000124.5
230A35.5Very low36.6Very low87 Ų87124.1 Ų124.172%0.71972%0.724SS**  trans7782.4170.200000118.8
231K41.4Very low36.9Very low188 Ų188126.1 Ų126.182%0.81773%0.73SS**  48.7152.768.5-91.8174.8-174.1163.40115.9
232P42.4Very low37.3Very low111 Ų111124.5 Ų124.572%0.72173%0.726SS**  cis-142.3-156-7.941.1-20000114.7
233S35.4Very low37.4Very low102 Ų102123 Ų12371%0.71372%0.722SS**  trans83.4145.7154.869.90000120
234L34.3Very low37Very low157 Ų157123.7 Ų123.782%0.82273%0.725SS**  cis-172157.4-14-96.8172000105.2
235D33Very low36.6Very low125 Ų125124.4 Ų124.467%0.66872%0.723SS**  cis-175178.5-14.1-161.5-1.2000109.1
236V33.9Very low36.2Very low110 Ų110126.4 Ų126.467%0.66773%0.727SS**  trans64.5107.3159.6175.20000116.9
237T30.2Very low36.3Very low112 Ų112126.8 Ų126.869%0.68773%0.732SS**  cis97.4149.538.168.10000116.2
238S32.3Very low36.3Very low105 Ų105126 Ų12673%0.73472%0.724SS**  trans66.8147.4149.851.20000119.7
239E36.6Very low36Very low182 Ų182132.3 Ų132.385%0.8573%0.733SS**  cis170.6174.6-18.5-107.9-99.7108.500105.2
240P49.7Very low35.9Very low97 Ų97133.9 Ų133.963%0.6374%0.74SS**  trans-102.1-177.6-157.240.8-39.4000115.3
241D36.2Very low35.7Very low153 Ų153136.6 Ų136.682%0.81874%0.743SS**  trans-164.9152161.2-107.9-7.7000109.5
242V36.9Very low35.2Very low105 Ų105131.8 Ų131.864%0.63674%0.738SS**  cis-174.5167.7-22.971.70000112
243L35.8Very low34.6Very low132 Ų132138 Ų13869%0.69175%0.747SS**  trans70.2131.1150.4-69.8-179.9000122.4
244T36.2Very low34.6Very low110 Ų110142.8 Ų142.868%0.67576%0.755SS**  78.2150.9129.957.70000121.6
245N34.7Very low34.3Very low125 Ų125142.4 Ų142.467%0.66875%0.753SS**  cis176.6159.3-35.1-115.2-43.4000108.1
246L33.7Very low34.5Very low144 Ų144145.7 Ų145.775%0.75476%0.761SS**  trans42.8113.9145.3-59.4164.9000119.2
247L35.3Very low34.4Very low171 Ų171145.2 Ų145.290%0.89576%0.755SS**  178.8157.5108.7-87.9156.8000110
248P35.6Very low35Very low96 Ų96146.9 Ų146.962%0.62376%0.76SS**  trans-138.7-163.7-137.940.5-19.5000114.5
249R30Very low35.5Very low230 Ų230147.8 Ų147.887%0.86875%0.753SS**  trans42.5126147.3-78.6175.2151154.8-4119.1
250L34.1Very low35.6Very low169 Ų169146.8 Ų146.889%0.88574%0.741SS**  -165.8158.8123.4-109.2168.2000113.2
251D31.7Very low35.1Very low145 Ų145148.9 Ų148.978%0.77574%0.742SS**  trans-91.4166.3-171.2-58.2-92.5000115.5
252A32Very low35.3Very low87 Ų87149.6 Ų149.672%0.71974%0.741SS**  trans62.4107.9141.700000121.6
253R29.2Very low35.3Very low240 Ų240150.6 Ų150.691%0.90674%0.742SS**  47.893.1126.2-64.8178.2170.4163.8-2.6119.1
254K34.5Very low35.3Very low204 Ų204153 Ų15389%0.88775%0.747SS**  -145.9117.8125.3-68.2-160.1178.2-174.80107.6
255L28.5Very low35.3Very low148 Ų148155.2 Ų155.278%0.77575%0.753SS**  cis6980.748.4-131.7-176.5000113.4N257L255-N257 VanDerWaalsContact CD2-OD1 3.28Å; L255-N257 WeakPolarHBondContact CD2-OD1 3.45Å
256K37.3Very low35.7Very low194 Ų194156.9 Ų156.984%0.84376%0.762SS**  trans-146.1126.5141.1-83.2-173.8176.4-175.60105.4
257N32.4Very low36Very low100 Ų100157.9 Ų157.954%0.53577%0.767SS.*  63.591.962.3-66.262.4000111.5L255L255-N257 VanDerWaalsContact CD2-OD1 3.28Å; L255-N257 WeakPolarHBondContact CD2-OD1 3.45Å
258D43.4Very low36.1Very low147 Ų147153.1 Ų153.179%0.78676%0.759SS**  -165.9105.9102.4-76-22.2000105.9
259E41.1Very low36.1Very low125 Ų125157.9 Ų157.958%0.58477%0.774SS**  68.3127.279.7-66.5-158.8-18000113
260R39Very low36.6Very low160 Ų160152.6 Ų152.660%0.60477%0.772SS**  cis-162.7162.91.9-107.2172.8-154.9-79.7-9110
261E39.5Very low36.7Very low142 Ų142149.3 Ų149.366%0.66475%0.754SS**  trans33.4129136.7-57.9148.2-159.900118.2
262E40.8Very low37.1Very low168 Ų168147.7 Ų147.779%0.78575%0.751SS**  cis-158.514843.4-76.3-169.8142.700114.5
263L36.1Very low37.1Very low126 Ų126148.9 Ų148.966%0.6675%0.75SS**  trans39.5114.6151.5-7278.5000121.1
264F36.3Very low37.6Very low182 Ų182143 Ų14380%0.79875%0.746SS**  172.611697.3-94.8-69.4000112.8
265I36.6Very low37.8Very low157 Ų157139.1 Ų139.181%0.80574%0.739SS**  trans33.397.6166.3-43.9178.7000117.1
266D43.7Very low38.7Very low160 Ų160136.9 Ų136.986%0.85674%0.736SS**  trans-106.2153.8171.2-164.24.1000111.4G268D266-G268 PolarHBondContact O-N 2.73Å
267L39.1Very low39.7Very low164 Ų164132.3 Ų132.386%0.85973%0.728SS**  trans-100.284.8-159-69.7167.6000114
268G37.3Very low41.7Very low71 Ų71131.7 Ų131.773%0.73273%0.728SS**  trans-100.2154.8162.300000112.2D266D266-G268 PolarHBondContact O-N 2.73Å
269E36Very low43.5Very low197 Ų197127.5 Ų127.592%0.92171%0.708SS**  cis-119.2162.87.6-68-177.911800112.9
270S40.7Very low45.3Very low118 Ų118126.7 Ų126.783%0.82571%0.713SS**  trans-76.1144.9-169.150.10000115.4
271I35Very low47.2Very low100 Ų100123.4 Ų123.451%0.51372%0.715SS.*  trans-66.7130.8178.4-59.3159.7000111.7T273 P552I271-T273 HydrophobicContact CG2-CG2 4.37Å; I271-T273 PolarHBondContact O-N 2.87Å; I271-P552 HydrophobicContact CD1-CG 4.45Å
272P40.5Very low49.2Very low111 Ų111121.4 Ų121.472%0.72171%0.706SS**  trans-8297170.732.1-32.5000111.4S274P272-S274 PolarHBondContact O-N 3.32Å
273T33.2Very low51Low113 Ų113118.3 Ų118.369%0.69369%0.694SS**  trans-78.9102.8173.450.60000111.3I271I271-T273 HydrophobicContact CG2-CG2 4.37Å; I271-T273 PolarHBondContact O-N 2.87Å
274S39.6Very low53.3Low116 Ų116117.4 Ų117.481%0.81169%0.689SS**  trans-155.6106.8168-760000111.2P272 S276P272-S274 PolarHBondContact O-N 3.32Å; S274-S276 PolarHBondContact O-N 3.18Å
275T38.1Very low55.3Low122 Ų122111.4 Ų111.475%0.74867%0.673SS**  trans-81.688.2177.347.60000110.6
276S47.6Very low57.3Low102 Ų102112 Ų11271%0.71367%0.665SS**PPolyproline II helixtrans-77.2122.9168.2-173.20000109.7S274S274-S276 PolarHBondContact O-N 3.18Å
277S57.8Low58.8Low98 Ų98109.1 Ų109.169%0.68565%0.65SS**PPolyproline II helixtrans-69.4128.317542.30000110.6T279S277-T279 PolarHBondContact O-N 2.8Å
278V74.2Confident60.7Low87 Ų87107.6 Ų107.653%0.52764%0.636SS.*PPolyproline II helixtrans-70.8116.3174.9-174.30000108.3Q282 L283V278-Q282 HydrophobicContact CG1-CB 3.7Å; V278-L283 HydrophobicContact CG1-CD2 4.46Å; V278-L283 HydrophobicContact CG1-CG 3.94Å
279T81.1Confident62.6Low59 Ų59107.8 Ų107.836%0.36263%0.626SS.*PPolyproline II helixtrans-73.9157.6179.864.20000111.4S277 S281 Q282 L283S277-T279 PolarHBondContact O-N 2.8Å; T279-S281 PolarHBondContact O-N 2.74Å; T279-S281 VanDerWaalsContact O-N 3.17Å; T279-Q282 WeakPolarHBondContact O-CA 3.31Å; T279-Q282 WeakPolarHBondContact O-CB 3.36Å; T279-Q282 PolarHBondContact O-N 2.75Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.19Å; T279-Q282 PolarHBondContact OG1-N 2.71Å; T279-L283 PolarHBondContact O-N 2.74Å
280P78.3Confident64.4Low108 Ų108105.2 Ų105.270%0.70161%0.614SS**Hα-helixtrans-52.9-36.5172.9-28.336.3000112.6L283 L284P280-L283 PolarHBondContact O-N 3.24Å; P280-L284 WeakPolarHBondContact O-CB 3.18Å; P280-L284 PolarHBondContact O-N 3.03Å
281S79.9Confident65.7Low90 Ų90105.9 Ų105.963%0.62961%0.607SS**Hα-helixtrans-65.8-35.8175.1-41.70000113.3T279 L284 A285T279-S281 PolarHBondContact O-N 2.74Å; T279-S281 VanDerWaalsContact O-N 3.17Å; S281-L284 PolarHBondContact O-N 3.12Å; S281-A285 WeakPolarHBondContact O-CB 3.32Å; S281-A285 PolarHBondContact O-N 3.08Å
282Q81.6Confident66.7Low101 Ų101108.8 Ų108.847%0.47262%0.619SS.*Hα-helixtrans-72.7-35.7173.5-74.4177-500112.1V278 T279 R286V278-Q282 HydrophobicContact CG1-CB 3.7Å; T279-Q282 WeakPolarHBondContact O-CA 3.31Å; T279-Q282 WeakPolarHBondContact O-CB 3.36Å; T279-Q282 PolarHBondContact O-N 2.75Å; T279-Q282 WeakPolarHBondContact OG1-CG 3.19Å; T279-Q282 PolarHBondContact OG1-N 2.71Å; Q282-R286 VanDerWaalsContact O-CB 3.29Å; Q282-R286 WeakPolarHBondContact O-CB 3.48Å; Q282-R286 PolarHBondContact O-N 2.82Å
283L78Confident67.2Low103 Ų103108 Ų10854%0.53961%0.611SS.*Hα-helixtrans-62.6-44.8168.6-84.1170.1000110.9V278 T279 P280 A285 R286 L287V278-L283 HydrophobicContact CG1-CD2 4.46Å; V278-L283 HydrophobicContact CG1-CG 3.94Å; T279-L283 PolarHBondContact O-N 2.74Å; P280-L283 PolarHBondContact O-N 3.24Å; L283-A285 PolarHBondContact O-N 3.18Å; L283-R286 PolarHBondContact O-N 2.9Å; L283-L287 VanDerWaalsContact O-CB 3.3Å; L283-L287 WeakPolarHBondContact O-CB 3.32Å; L283-L287 PolarHBondContact O-N 2.69Å
284L84.7Confident67.9Low106 Ų106107.8 Ų107.856%0.55561%0.614SS**Hα-helixtrans-63.2-40.8177.9-147.979.9000111.8P280 S281 L287 K288P280-L284 WeakPolarHBondContact O-CB 3.18Å; P280-L284 PolarHBondContact O-N 3.03Å; S281-L284 PolarHBondContact O-N 3.12Å; L284-L287 PolarHBondContact O-N 3.05Å; L284-K288 WeakPolarHBondContact O-CB 3.35Å; L284-K288 WeakPolarHBondContact O-CG 3.44Å; L284-K288 PolarHBondContact O-N 2.96Å
285A78.7Confident68.3Low57 Ų57110.1 Ų110.147%0.47161%0.612SS.*Hα-helixtrans-64.7-41.9173.200000111.8S281 L283 K288 S289S281-A285 WeakPolarHBondContact O-CB 3.32Å; S281-A285 PolarHBondContact O-N 3.08Å; L283-A285 PolarHBondContact O-N 3.18Å; A285-K288 PolarHBondContact O-N 2.74Å; A285-S289 WeakPolarHBondContact O-CB 3.06Å; A285-S289 PolarHBondContact O-N 3.09Å; A285-S289 PolarHBondContact O-OG 3.49Å
286R78.4Confident68.9Low168 Ų168112.8 Ų112.863%0.63462%0.616SS**Hα-helixtrans-64.3-40.7176.3-164-179-165.8102.31.9111.7Q282 L283 S289 H290Q282-R286 VanDerWaalsContact O-CB 3.29Å; Q282-R286 WeakPolarHBondContact O-CB 3.48Å; Q282-R286 PolarHBondContact O-N 2.82Å; L283-R286 PolarHBondContact O-N 2.9Å; R286-S289 WeakPolarHBondContact CA-OG 3.25Å; R286-S289 PolarHBondContact O-N 3.13Å; R286-S289 PolarHBondContact O-OG 2.89Å; R286-H290 PolarHBondContact O-N 2.85Å
287L74.9Confident69.2Low101 Ų101114.2 Ų114.253%0.52961%0.61SS.*Hα-helixtrans-67.4-46.9177.2-155.9163.8000110.3L283 L284 S289 H290 L291L283-L287 VanDerWaalsContact O-CB 3.3Å; L283-L287 WeakPolarHBondContact O-CB 3.32Å; L283-L287 PolarHBondContact O-N 2.69Å; L284-L287 PolarHBondContact O-N 3.05Å; L287-S289 VanDerWaalsContact C-N 3.29Å; L287-S289 PolarHBondContact O-N 3.1Å; L287-H290 CarbonylContact O-C 3.59Å; L287-H290 PolarHBondContact O-N 3.16Å; L287-L291 HydrophobicContact CD2-CD1 3.63Å; L287-L291 HydrophobicContact CD2-CG 4.01Å; L287-L291 WeakPolarHBondContact O-CG 3.12Å; L287-L291 PolarHBondContact O-N 3.43Å
288K79.9Confident69.1Low131 Ų131115.1 Ų115.157%0.5761%0.611SS**Hα-helixtrans-56.1-40.4170.2-75.8-174.6176.3-166.50112.4L284 A285 H290 L291 H292L284-K288 WeakPolarHBondContact O-CB 3.35Å; L284-K288 WeakPolarHBondContact O-CG 3.44Å; L284-K288 PolarHBondContact O-N 2.96Å; A285-K288 PolarHBondContact O-N 2.74Å; K288-H290 VanDerWaalsContact C-N 3.33Å; K288-H290 PolarHBondContact O-N 2.9Å; K288-L291 PolarHBondContact O-N 2.86Å; K288-H292 PolarHBondContact O-N 2.98Å; K288-H292 PolarHBondContact O-ND1 3.07Å
289S76.9Confident68.1Low76 Ų76113 Ų11353%0.53160%0.598SS.*Hα-helixtrans-73-20.1175.967.40000114.6A285 R286 L287A285-S289 WeakPolarHBondContact O-CB 3.06Å; A285-S289 PolarHBondContact O-N 3.09Å; A285-S289 PolarHBondContact O-OG 3.49Å; R286-S289 WeakPolarHBondContact CA-OG 3.25Å; R286-S289 PolarHBondContact O-N 3.13Å; R286-S289 PolarHBondContact O-OG 2.89Å; L287-S289 VanDerWaalsContact C-N 3.29Å; L287-S289 PolarHBondContact O-N 3.1Å
290H73.8Confident66.8Low143 Ų143115.2 Ų115.266%0.66260%0.6SS**Hα-helixtrans-88.1-19.6171.7-103.1-35.4000113.4R286 L287 K288R286-H290 PolarHBondContact O-N 2.85Å; L287-H290 CarbonylContact O-C 3.59Å; L287-H290 PolarHBondContact O-N 3.16Å; K288-H290 VanDerWaalsContact C-N 3.33Å; K288-H290 PolarHBondContact O-N 2.9Å
291L68.4Low66.5Low131 Ų131110.3 Ų110.369%0.68657%0.568SS**Hα-helixtrans-76.1-25.8169.6-70.1170.1000112.2L287 K288 V293L287-L291 HydrophobicContact CD2-CD1 3.63Å; L287-L291 HydrophobicContact CD2-CG 4.01Å; L287-L291 WeakPolarHBondContact O-CG 3.12Å; L287-L291 PolarHBondContact O-N 3.43Å; K288-L291 PolarHBondContact O-N 2.86Å; L291-V293 PolarHBondContact O-N 3Å
292H54.9Low66.3Low162 Ų162108.5 Ų108.575%0.7556%0.555SS**  trans-80.958171-69.180.2000111.9K288 S294K288-H292 PolarHBondContact O-N 2.98Å; K288-H292 PolarHBondContact O-ND1 3.07Å; H292-S294 PolarHBondContact O-N 3.31Å
293V51.7Low66.1Low94 Ų94105.9 Ų105.957%0.5754%0.543SS*.  trans-80.3107.8159.6175.30000107.2L291 H295L291-V293 PolarHBondContact O-N 3Å; V293-H295 PolarHBondContact O-N 3.03Å
294S46.9Very low66.3Low108 Ų108107.8 Ų107.876%0.75555%0.55SS*.  trans-65.599.617352.30000109.8H292 E296H292-S294 PolarHBondContact O-N 3.31Å; S294-E296 PolarHBondContact O-N 2.95Å
295H47.9Very low66.1Low166 Ų166107 Ų10777%0.76954%0.54SS*.  trans-70.281.8165.5-83.9-93.7000109.4V293 K297V293-H295 PolarHBondContact O-N 3.03Å; H295-K297 PolarHBondContact O-N 3.49Å
296E51.1Low66.3Low177 Ų177108.3 Ų108.383%0.82755%0.545SS*.  trans-59.4102161.1-172.1168.9-15300107S294 V298S294-E296 PolarHBondContact O-N 2.95Å; E296-V298 PolarHBondContact O-N 3.28Å; E296-V298 VanDerWaalsContact O-N 3.16Å
297K54.2Low66.6Low133 Ų133104.1 Ų104.158%0.57854%0.535SS*.  trans-75.8105.4-175.4-72.1-175.7178.2178.50108.3H295 V299 G1035 D1036H295-K297 PolarHBondContact O-N 3.49Å; K297-V299 HydrophobicContact CB-CG2 3.7Å; K297-V299 HydrophobicContact CD-CG2 4.43Å; K297-V299 PolarHBondContact O-N 2.75Å; K297-G1035 CarbonylContact O-C 3.53Å; K297-D1036 PolarHBondContact O-N 3.27Å
298V56.1Low67.2Low117 Ų117104.5 Ų104.571%0.70954%0.536SS*.  trans-64.588157.5-173.70000107.6E296E296-V298 PolarHBondContact O-N 3.28Å; E296-V298 VanDerWaalsContact O-N 3.16Å
299V52.4Low67.4Low43 Ų43100.8 Ų100.826%0.26152%0.524SS..  trans-75.8-178.2165.5-172.70000106.8K297 P330 D1036K297-V299 HydrophobicContact CB-CG2 3.7Å; K297-V299 HydrophobicContact CD-CG2 4.43Å; K297-V299 PolarHBondContact O-N 2.75Å; V299-P330 HydrophobicContact CG1-CB 4.38Å; V299-P330 HydrophobicContact CG1-CG 4.15Å; V299-D1036 WeakPolarHBondContact CA-OD1 3.23Å; V299-D1036 HydrophobicContact CB-CB 4.24Å; V299-D1036 WeakPolarHBondContact CB-OD1 3.45Å; V299-D1036 WeakPolarHBondContact CB-OD2 3.42Å; V299-D1036 WeakPolarHBondContact CG1-OD1 3.32Å; V299-D1036 WeakPolarHBondContact CG1-OD2 3.5Å
300R53.4Low67.9Low105 Ų105103.5 Ų103.540%0.39653%0.527SS..  trans-133140.4-153.3-162.8171-174.1166.80.9109.2P330 I575 D1036R300-P330 WeakPolarHBondContact O-CG 3.38Å; R300-I575 VanDerWaalsContact NH1-CG2 3.28Å; R300-D1036 PolarHBondContact N-OD1 2.88Å
301G72Confident68.4Low4 Ų499.3 Ų99.34%0.04151%0.511CS..  trans-66.9170.1-17500000112.8I303 E1038G301-I303 WeakPolarHBondContact O-CG1 3.29Å; G301-I303 PolarHBondContact O-N 3.32Å; G301-E1038 WeakPolarHBondContact CA-OE1 3.31Å; G301-E1038 PolarHBondContact N-OE1 3.39Å
302P75.5Confident69Low53 Ų53100 Ų10034%0.34451%0.511SS..  trans-49.1110.4179.68.2-23.3000113.6Q304 T327 H328 E329P302-Q304 PolarHBondContact O-N 2.87Å; P302-T327 HydrophobicContact CB-CG2 3.61Å; P302-H328 WeakPolarHBondContact CA-O 3.46Å; P302-E329 HydrophobicContact CB-CG 4.49Å; P302-E329 WeakPolarHBondContact CB-OE2 3.29Å; P302-E329 WeakPolarHBondContact CG-OE2 3.48Å
303I77.4Confident69.7Low46 Ų4694.4 Ų94.424%0.23649%0.49CS..EExtended strand (participates in β ladder)trans-81.7119.1-179.3-52.4-179.6000108.4G301 Y305 H328G301-I303 WeakPolarHBondContact O-CG1 3.29Å; G301-I303 PolarHBondContact O-N 3.32Å; I303-Y305 HydrophobicContact CB-CE2 4.05Å; I303-Y305 HydrophobicContact CG2-CD1 4.36Å; I303-Y305 HydrophobicContact CG2-CD2 4.41Å; I303-Y305 HydrophobicContact CG2-CE1 3.78Å; I303-Y305 HydrophobicContact CG2-CE2 3.85Å; I303-Y305 VanDerWaalsContact CG2-CZ 3.5Å; I303-H328 PolarHBondContact N-O 3.31Å; I303-H328 PolarHBondContact O-N 3.17Å
304Q81.9Confident70.6Confident143 Ų14395.6 Ų95.667%0.66850%0.502SS*.EExtended strand (participates in β ladder)trans-90.9117.5174.6-64-171.33.200110.7P302 T327P302-Q304 PolarHBondContact O-N 2.87Å; Q304-T327 HydrophobicContact CG-CG2 4.1Å
305Y81.3Confident71.8Confident89 Ų8997.7 Ų97.735%0.34951%0.505SS..EExtended strand (participates in β ladder)trans-99.8136172.9-58.6-77.1000109.8I303 T325 V326 H328I303-Y305 HydrophobicContact CB-CE2 4.05Å; I303-Y305 HydrophobicContact CG2-CD1 4.36Å; I303-Y305 HydrophobicContact CG2-CD2 4.41Å; I303-Y305 HydrophobicContact CG2-CE1 3.78Å; I303-Y305 HydrophobicContact CG2-CE2 3.85Å; I303-Y305 VanDerWaalsContact CG2-CZ 3.5Å; Y305-T325 CarbonylContact O-C 3.59Å; Y305-T325 WeakPolarHBondContact O-CA 3.32Å; Y305-V326 PolarHBondContact N-O 2.94Å; Y305-V326 PolarHBondContact O-N 3.27Å; Y305-H328 HydrophobicContact CD2-CB 4.28Å; Y305-H328 HydrophobicContact CE2-CB 3.79Å
306S83.8Confident72.3Confident84 Ų8491.9 Ų91.959%0.58749%0.485SS*.EExtended strand (participates in β ladder)trans-104.2102.5172.1-62.70000109.3
307I84.7Confident73.1Confident81 Ų8193 Ų9342%0.41549%0.491SS..EExtended strand (participates in β ladder)trans-83.6134.6176.3-53.1-179.7000107.7T309 V323 E324 V326I307-T309 HydrophobicContact CG2-CG2 4.09Å; I307-V323 CarbonylContact O-C 3.58Å; I307-V323 WeakPolarHBondContact O-CA 3.27Å; I307-E324 PolarHBondContact N-O 2.94Å; I307-E324 PolarHBondContact O-N 3.31Å; I307-V326 HydrophobicContact CD1-CB 4.43Å; I307-V326 HydrophobicContact CD1-CG2 3.66Å; I307-V326 HydrophobicContact CG1-CG2 4.37Å
308I86.5Confident73.8Confident109 Ų10995.9 Ų95.956%0.55950%0.498SS*.EExtended strand (participates in β ladder)trans-114.1108.9175.4-50.9-176.6000108.1L321 Q322 V323I308-L321 HydrophobicContact CG2-CB 3.98Å; I308-L321 HydrophobicContact CG2-CD2 4.23Å; I308-L321 HydrophobicContact CG2-CG 4.49Å; I308-Q322 WeakPolarHBondContact CA-O 3.34Å; I308-V323 HydrophobicContact CG1-CG1 4.5Å; I308-V323 HydrophobicContact CG1-CG2 4.24Å; I308-V323 HydrophobicContact CG2-CG2 4.46Å
309T84.7Confident75Confident52 Ų5296 Ų9632%0.31949%0.491SS..EExtended strand (participates in β ladder)trans-98.9146176.456.80000110.6I307 L321 Q322I307-T309 HydrophobicContact CG2-CG2 4.09Å; T309-L321 WeakPolarHBondContact O-CA 3.47Å; T309-Q322 PolarHBondContact N-O 3.46Å; T309-Q322 PolarHBondContact O-N 2.81Å; T309-Q322 PolarHBondContact OG1-O 2.81Å
310K88.1Confident76.3Confident134 Ų13499.9 Ų99.958%0.58351%0.506SS*.EExtended strand (participates in β ladder)trans-99.4110.8177.7-173.6-176.6-178.2-172.50108.7E319 L321K310-E319 WeakPolarHBondContact CE-OE1 3.49Å; K310-E319 WeakPolarHBondContact CE-OE2 2.91Å; K310-E319 IonicContact NZ-OE1 3.27Å; K310-E319 PolarHBondContact NZ-OE1 2.88Å; K310-E319 IonicContact NZ-OE2 3.75Å; K310-E319 PolarHBondContact NZ-OE2 2.93Å; K310-L321 HydrophobicContact CB-CD2 4.22Å; K310-L321 HydrophobicContact CG-CD2 4.3Å
311V83.5Confident77.8Confident55 Ų55100.6 Ų100.633%0.33352%0.517SS..EExtended strand (participates in β ladder)trans-116.9129.6-173.5-177.50000109.4E320 Q322V311-E320 PolarHBondContact N-O 3.45Å; V311-E320 PolarHBondContact O-N 2.87Å; V311-Q322 HydrophobicContact CG2-CB 4.08Å
312Q80.3Confident78.3Confident146 Ų146105.4 Ų105.468%0.68254%0.539SS*.EExtended strand (participates in β ladder)trans-82.1125.7166.2-76.9-177.8-18.300109
313S69.3Low78.8Confident43 Ų43107.1 Ų107.130%0.30155%0.548SS..  trans-70.2138.517480.50000110.3D315 A316 R318S313-D315 PolarHBondContact O-N 3.45Å; S313-D315 VanDerWaalsContact O-N 3.14Å; S313-A316 PolarHBondContact O-N 3.19Å; S313-A316 PolarHBondContact OG-N 3.38Å; S313-A316 PolarHBondContact OG-O 2.89Å; S313-R318 PolarHBondContact N-O 2.81Å
314S71Confident79Confident119 Ų119110 Ų11083%0.83256%0.56SS**THydrogen-bonded Turntrans-62.5-22.5-179.753.30000114.2
315D71.7Confident79Confident153 Ų153107.6 Ų107.682%0.81856%0.555SS**THydrogen-bonded Turntrans-108-3.7-167.2-6828.7000112.4S313S313-D315 PolarHBondContact O-N 3.45Å; S313-D315 VanDerWaalsContact O-N 3.14Å
316A59.9Low79Confident43 Ų43105.9 Ų105.936%0.35555%0.554SS.*SBendtrans-157.214317300000111.4S313 R318S313-A316 PolarHBondContact O-N 3.19Å; S313-A316 PolarHBondContact OG-N 3.38Å; S313-A316 PolarHBondContact OG-O 2.89Å; A316-R318 HydrophobicContact CB-CB 4.42Å; A316-R318 HydrophobicContact CB-CG 4.31Å; A316-R318 PolarHBondContact O-N 3.46Å
317E67Low78.9Confident200 Ų200105.1 Ų105.194%0.93555%0.546SS*.SBendtrans-69.435.2172.9-57.7170139.100112.9
318R69.8Low78.1Confident195 Ų195105.8 Ų105.874%0.73655%0.547SS*.  trans-99.4124.4174.4-71.2176.3174.4-89.5-8.8108.1S313 A316S313-R318 PolarHBondContact N-O 2.81Å; A316-R318 HydrophobicContact CB-CB 4.42Å; A316-R318 HydrophobicContact CB-CG 4.31Å; A316-R318 PolarHBondContact O-N 3.46Å
319E79.8Confident77.5Confident118 Ų118106.7 Ų106.755%0.55155%0.549SS*.EExtended strand (participates in β ladder)trans-77.6119.6170-46.5-173.6124.500107.9K310K310-E319 WeakPolarHBondContact CE-OE1 3.49Å; K310-E319 WeakPolarHBondContact CE-OE2 2.91Å; K310-E319 IonicContact NZ-OE1 3.27Å; K310-E319 PolarHBondContact NZ-OE1 2.88Å; K310-E319 IonicContact NZ-OE2 3.75Å; K310-E319 PolarHBondContact NZ-OE2 2.93Å
320E81.3Confident76.5Confident126 Ų126106 Ų10659%0.58955%0.545SS*.EExtended strand (participates in β ladder)trans-108.1141.3177.7-170.9159.1-166.100109.6V311V311-E320 PolarHBondContact N-O 3.45Å; V311-E320 PolarHBondContact O-N 2.87Å
321L84.6Confident75.1Confident120 Ų120103.4 Ų103.463%0.62855%0.545SS*.EExtended strand (participates in β ladder)trans-96.9101.9175.8-65.9179.6000108.4I308 T309 K310I308-L321 HydrophobicContact CG2-CB 3.98Å; I308-L321 HydrophobicContact CG2-CD2 4.23Å; I308-L321 HydrophobicContact CG2-CG 4.49Å; T309-L321 WeakPolarHBondContact O-CA 3.47Å; K310-L321 HydrophobicContact CB-CD2 4.22Å; K310-L321 HydrophobicContact CG-CD2 4.3Å
322Q82.5Confident73.9Confident105 Ų105105 Ų10549%0.49155%0.547SS..EExtended strand (participates in β ladder)trans-86.7126.5178.4-174.2169.1-17.200108.9I308 T309 V311I308-Q322 WeakPolarHBondContact CA-O 3.34Å; T309-Q322 PolarHBondContact N-O 3.46Å; T309-Q322 PolarHBondContact O-N 2.81Å; T309-Q322 PolarHBondContact OG1-O 2.81Å; V311-Q322 HydrophobicContact CG2-CB 4.08Å
323V85.7Confident72.6Confident89 Ų89100.1 Ų100.154%0.53954%0.536SS..EExtended strand (participates in β ladder)trans-104.6121.6179.9-173.10000109.2I307 I308I307-V323 CarbonylContact O-C 3.58Å; I307-V323 WeakPolarHBondContact O-CA 3.27Å; I308-V323 HydrophobicContact CG1-CG1 4.5Å; I308-V323 HydrophobicContact CG1-CG2 4.24Å; I308-V323 HydrophobicContact CG2-CG2 4.46Å
324E81.5Confident71.6Confident105 Ų105102.4 Ų102.449%0.49154%0.544SS..EExtended strand (participates in β ladder)trans-118128.9-179.7-178.4151.5-141.800110.4I307 V326I307-E324 PolarHBondContact N-O 2.94Å; I307-E324 PolarHBondContact O-N 3.31Å; E324-V326 HydrophobicContact CG-CG2 4.45Å
325T82.9Confident70.5Confident93 Ų93100.4 Ų100.457%0.57153%0.53SS*.EExtended strand (participates in β ladder)trans-104.2102-174.7540000110.8Y305Y305-T325 CarbonylContact O-C 3.59Å; Y305-T325 WeakPolarHBondContact O-CA 3.32Å
326V81.3Confident69.6Low54 Ų5497.6 Ų97.633%0.32752%0.519SS..EExtended strand (participates in β ladder)trans-93.5128.6178.8-179.50000109.3Y305 I307 E324Y305-V326 PolarHBondContact N-O 2.94Å; Y305-V326 PolarHBondContact O-N 3.27Å; I307-V326 HydrophobicContact CD1-CB 4.43Å; I307-V326 HydrophobicContact CD1-CG2 3.66Å; I307-V326 HydrophobicContact CG1-CG2 4.37Å; E324-V326 HydrophobicContact CG-CG2 4.45Å
327T81.1Confident69.1Low68 Ų6898.9 Ų98.942%0.41752%0.522SS..EExtended strand (participates in β ladder)trans-104.6121.5177.7-54.80000109.8P302 Q304P302-T327 HydrophobicContact CB-CG2 3.61Å; Q304-T327 HydrophobicContact CG-CG2 4.1Å
328H68.5Low68.2Low95 Ų9594.7 Ų94.744%0.4451%0.505SS..EExtended strand (participates in β ladder)trans-106100.8179.2177-75.2000110.8P302 I303 Y305 P330P302-H328 WeakPolarHBondContact CA-O 3.46Å; I303-H328 PolarHBondContact N-O 3.31Å; I303-H328 PolarHBondContact O-N 3.17Å; Y305-H328 HydrophobicContact CD2-CB 4.28Å; Y305-H328 HydrophobicContact CE2-CB 3.79Å; H328-P330 WeakPolarHBondContact O-CD 3.37Å
329E74.1Confident67.7Low127 Ų12789 Ų8959%0.59350%0.495SS*.  trans-72.6117164.3-56.3-72.317200108.8P302 S331P302-E329 HydrophobicContact CB-CG 4.49Å; P302-E329 WeakPolarHBondContact CB-OE2 3.29Å; P302-E329 WeakPolarHBondContact CG-OE2 3.48Å; E329-S331 PolarHBondContact O-N 2.74Å; E329-S331 VanDerWaalsContact O-N 3.13Å
330P63.5Low66.9Low37 Ų3786.8 Ų86.824%0.2449%0.489CS..  trans-69.5112.5176.724.7-27.9000111V299 R300 H328 K332V299-P330 HydrophobicContact CG1-CB 4.38Å; V299-P330 HydrophobicContact CG1-CG 4.15Å; R300-P330 WeakPolarHBondContact O-CG 3.38Å; H328-P330 WeakPolarHBondContact O-CD 3.37Å; P330-K332 PolarHBondContact O-N 2.93Å
331S57.2Low66.3Low81 Ų8184.6 Ų84.657%0.56649%0.488SS*.  trans-65.6108.2-179.4-176.50000111.8E329 G333 L334E329-S331 PolarHBondContact O-N 2.74Å; E329-S331 VanDerWaalsContact O-N 3.13Å; S331-G333 PolarHBondContact O-N 3.47Å; S331-L334 PolarHBondContact O-N 2.7Å
332K58.1Low65.8Low87 Ų8785.5 Ų85.538%0.37848%0.483SS..G310 helixtrans-53.8-25.8-179.8-68.6169.5166.3175.60114.3P330 L334 E1034 D1036P330-K332 PolarHBondContact O-N 2.93Å; K332-L334 PolarHBondContact O-N 3.09Å; K332-E1034 HydrophobicContact CB-CB 4Å; K332-E1034 HydrophobicContact CB-CG 3.7Å; K332-E1034 WeakPolarHBondContact CB-OE1 3.34Å; K332-E1034 HydrophobicContact CD-CB 4.12Å; K332-E1034 WeakPolarHBondContact CD-OE2 3.38Å; K332-E1034 HydrophobicContact CG-CB 4.26Å; K332-E1034 HydrophobicContact CG-CG 4.48Å; K332-D1036 VanDerWaalsContact CE-CG 3.41Å; K332-D1036 WeakPolarHBondContact CE-OD2 3.14Å; K332-D1036 WeakPolarHBondContact CG-OD2 3.45Å; K332-D1036 IonicContact NZ-OD2 2.75Å
333G54.2Low65.9Low44 Ų4486.3 Ų86.345%0.45449%0.485SS..G310 helixtrans-81.1-4.9-174.800000117.2S331 S335S331-G333 PolarHBondContact O-N 3.47Å; G333-S335 VanDerWaalsContact C-N 3.32Å; G333-S335 PolarHBondContact O-N 2.76Å
334L47.9Very low65.6Low92 Ų9287.5 Ų87.548%0.48249%0.485SS..G310 helixtrans-81.95.2-169.9-68.9173000115.9S331 K332 T336 T337S331-L334 PolarHBondContact O-N 2.7Å; K332-L334 PolarHBondContact O-N 3.09Å; L334-T336 PolarHBondContact O-N 3.48Å; L334-T336 VanDerWaalsContact O-N 3.11Å; L334-T337 HydrophobicContact CD2-CG2 3.76Å; L334-T337 PolarHBondContact O-N 3.31Å; L334-T337 VanDerWaalsContact O-N 3.12Å; L334-T337 PolarHBondContact O-OG1 2.92Å
335S48.6Very low65.7Low77 Ų7789.8 Ų89.854%0.53849%0.489SS..G310 helixtrans-66.9-14.6-178-160.10000114.3G333G333-S335 VanDerWaalsContact C-N 3.32Å; G333-S335 PolarHBondContact O-N 2.76Å
336T51.7Low66Low93 Ų9389.9 Ų89.957%0.57149%0.486SS*.G310 helixtrans-86.9-30.5172.148.20000113.1L334 I338 S339 V340L334-T336 PolarHBondContact O-N 3.48Å; L334-T336 VanDerWaalsContact O-N 3.11Å; T336-I338 VanDerWaalsContact C-N 3.3Å; T336-I338 PolarHBondContact O-N 3.29Å; T336-S339 PolarHBondContact O-N 3.01Å; T336-S339 VanDerWaalsContact O-N 3.13Å; T336-S339 PolarHBondContact O-OG 3.47Å; T336-V340 WeakPolarHBondContact O-CG2 3.47Å; T336-V340 PolarHBondContact O-N 3.24Å
337T50.5Low66.3Low70 Ų7091.2 Ų91.243%0.42949%0.488SS..Hα-helixtrans-69.8-29.3-176.761.60000112.1L334 V340 S341L334-T337 HydrophobicContact CD2-CG2 3.76Å; L334-T337 PolarHBondContact O-N 3.31Å; L334-T337 VanDerWaalsContact O-N 3.12Å; L334-T337 PolarHBondContact O-OG1 2.92Å; T337-V340 PolarHBondContact O-N 3.38Å; T337-S341 WeakPolarHBondContact O-CB 3.3Å; T337-S341 PolarHBondContact O-N 2.9Å
338I48.1Very low66.8Low113 Ų11393.3 Ų93.358%0.57949%0.493SS*.Hα-helixtrans-65.5-40.1171.6-56.3177.4000110.9T336 S341 R342T336-I338 VanDerWaalsContact C-N 3.3Å; T336-I338 PolarHBondContact O-N 3.29Å; I338-S341 PolarHBondContact O-N 3.39Å; I338-R342 PolarHBondContact O-N 3.47Å
339S58.2Low67.7Low74 Ų7494.6 Ų94.652%0.51749%0.494SS..Hα-helixtrans-69.7-35.5176.173.10000112T336 R342 K343T336-S339 PolarHBondContact O-N 3.01Å; T336-S339 VanDerWaalsContact O-N 3.13Å; T336-S339 PolarHBondContact O-OG 3.47Å; S339-R342 PolarHBondContact O-N 3.06Å; S339-K343 WeakPolarHBondContact O-CB 3.35Å; S339-K343 PolarHBondContact O-N 3.04Å
340V62.9Low68.5Low72 Ų7296 Ų9644%0.43650%0.498SS..Hα-helixtrans-63-42.2170.4173.70000111.2T336 T337 K343 H344T336-V340 WeakPolarHBondContact O-CG2 3.47Å; T336-V340 PolarHBondContact O-N 3.24Å; T337-V340 PolarHBondContact O-N 3.38Å; V340-K343 PolarHBondContact O-N 3.17Å; V340-H344 VanDerWaalsContact CG1-CE1 3.46Å; V340-H344 WeakPolarHBondContact CG1-CE1 3.47Å; V340-H344 WeakPolarHBondContact CG1-ND1 3.32Å; V340-H344 PolarHBondContact O-N 3.43Å; V340-H344 PolarHBondContact O-ND1 3.2Å
341S69.7Low69.9Low81 Ų8198.8 Ų98.857%0.56651%0.514SS*.Hα-helixtrans-63.5-40.8175.2-168.80000111.9T337 I338 W345T337-S341 WeakPolarHBondContact O-CB 3.3Å; T337-S341 PolarHBondContact O-N 2.9Å; I338-S341 PolarHBondContact O-N 3.39Å; S341-W345 WeakPolarHBondContact O-CB 3.49Å; S341-W345 PolarHBondContact O-N 3.5Å
342R74.2Confident71.7Confident138 Ų13899.1 Ų99.152%0.52151%0.509SS..Hα-helixtrans-67.9-35.9174.7-177168.8-79.5-166.4-3.1112.2I338 S339 W345 L346 E571I338-R342 PolarHBondContact O-N 3.47Å; S339-R342 PolarHBondContact O-N 3.06Å; R342-W345 PolarHBondContact O-N 2.82Å; R342-L346 HydrophobicContact CG-CD1 4.24Å; R342-L346 VanDerWaalsContact O-CG 3.31Å; R342-L346 WeakPolarHBondContact O-CG 3.4Å; R342-L346 PolarHBondContact O-N 2.86Å; R342-E571 IonicContact CZ-OE1 3.24Å; R342-E571 IonicContact NE-OE1 3.18Å; R342-E571 IonicContact NH2-OE1 2.73Å; R342-E571 PolarHBondContact NH2-OE1 3.36Å; R342-E571 IonicContact NH2-OE2 2.66Å
343K83.6Confident73.3Confident122 Ų12299.9 Ų99.953%0.5351%0.514SS..Hα-helixtrans-63.1-50.5173.5-175.2173.8-178.4-710111.3S339 V340 W345 L346 E347S339-K343 WeakPolarHBondContact O-CB 3.35Å; S339-K343 PolarHBondContact O-N 3.04Å; V340-K343 PolarHBondContact O-N 3.17Å; K343-W345 VanDerWaalsContact C-N 3.3Å; K343-W345 PolarHBondContact O-N 3.04Å; K343-L346 PolarHBondContact O-N 3.02Å; K343-E347 WeakPolarHBondContact CE-OE1 3.5Å; K343-E347 WeakPolarHBondContact CG-OE1 3.4Å; K343-E347 IonicContact NZ-OE1 3.73Å; K343-E347 PolarHBondContact NZ-OE1 3.05Å; K343-E347 IonicContact NZ-OE2 2.75Å; K343-E347 WeakPolarHBondContact O-CG 3.39Å; K343-E347 PolarHBondContact O-N 3Å
344H80.7Confident75Confident115 Ų115100.9 Ų100.953%0.53251%0.507SS..Hα-helixtrans-60.5-37.1174.9-74.887.9000112.4V340 E347 H348V340-H344 VanDerWaalsContact CG1-CE1 3.46Å; V340-H344 WeakPolarHBondContact CG1-CE1 3.47Å; V340-H344 WeakPolarHBondContact CG1-ND1 3.32Å; V340-H344 PolarHBondContact O-N 3.43Å; V340-H344 PolarHBondContact O-ND1 3.2Å; H344-E347 PolarHBondContact O-N 2.76Å; H344-H348 VanDerWaalsContact O-CB 3.22Å; H344-H348 WeakPolarHBondContact O-CB 3.33Å; H344-H348 PolarHBondContact O-N 3Å
345W82.4Confident77.2Confident152 Ų152103.4 Ų103.458%0.57651%0.514SS*.Hα-helixtrans-66.6-40.3175.6-173.289.9000112.6S341 R342 K343 R349S341-W345 WeakPolarHBondContact O-CB 3.49Å; S341-W345 PolarHBondContact O-N 3.5Å; R342-W345 PolarHBondContact O-N 2.82Å; K343-W345 VanDerWaalsContact C-N 3.3Å; K343-W345 PolarHBondContact O-N 3.04Å; W345-R349 VanDerWaalsContact O-CB 3.24Å; W345-R349 WeakPolarHBondContact O-CB 3.46Å; W345-R349 PolarHBondContact O-N 2.77Å
346L88.7Confident79Confident96 Ų96105.4 Ų105.450%0.50352%0.516SS..Hα-helixtrans-67.3-38.1174.2-72.2168.6000112.1R342 K343 R349 K350R342-L346 HydrophobicContact CG-CD1 4.24Å; R342-L346 VanDerWaalsContact O-CG 3.31Å; R342-L346 WeakPolarHBondContact O-CG 3.4Å; R342-L346 PolarHBondContact O-N 2.86Å; K343-L346 PolarHBondContact O-N 3.02Å; L346-R349 PolarHBondContact O-N 3.29Å; L346-K350 WeakPolarHBondContact O-CB 3.44Å; L346-K350 PolarHBondContact O-N 3.28Å
347E89.4Confident81Confident81 Ų81107.2 Ų107.238%0.37951%0.513SS..Hα-helixtrans-67-47.5175-74.3165175.100111.4K343 H344 R349 K350 V351K343-E347 WeakPolarHBondContact CE-OE1 3.5Å; K343-E347 WeakPolarHBondContact CG-OE1 3.4Å; K343-E347 IonicContact NZ-OE1 3.73Å; K343-E347 PolarHBondContact NZ-OE1 3.05Å; K343-E347 IonicContact NZ-OE2 2.75Å; K343-E347 WeakPolarHBondContact O-CG 3.39Å; K343-E347 PolarHBondContact O-N 3Å; H344-E347 PolarHBondContact O-N 2.76Å; E347-R349 VanDerWaalsContact C-N 3.31Å; E347-R349 PolarHBondContact O-N 3.35Å; E347-K350 PolarHBondContact O-N 2.85Å; E347-K350 VanDerWaalsContact O-N 3.15Å; E347-V351 WeakPolarHBondContact O-CG2 3.45Å; E347-V351 PolarHBondContact O-N 3.12Å
348H89.9Confident83.1Confident112 Ų112108.1 Ų108.152%0.51951%0.512SS..Hα-helixtrans-59.6-40.3173.7179-112.3000112.1H344 V351 L352H344-H348 VanDerWaalsContact O-CB 3.22Å; H344-H348 WeakPolarHBondContact O-CB 3.33Å; H344-H348 PolarHBondContact O-N 3Å; H348-V351 PolarHBondContact O-N 2.75Å; H348-L352 WeakPolarHBondContact O-CG 3.46Å; H348-L352 PolarHBondContact O-N 3.01Å
349R87.5Confident85.2Confident123 Ų123108.5 Ų108.546%0.46451%0.509SS..Hα-helixtrans-61.7-46.2172.8178177.2170.1160.73.6111.8W345 L346 E347 V351 L352 E353W345-R349 VanDerWaalsContact O-CB 3.24Å; W345-R349 WeakPolarHBondContact O-CB 3.46Å; W345-R349 PolarHBondContact O-N 2.77Å; L346-R349 PolarHBondContact O-N 3.29Å; E347-R349 VanDerWaalsContact C-N 3.31Å; E347-R349 PolarHBondContact O-N 3.35Å; R349-V351 VanDerWaalsContact C-N 3.31Å; R349-V351 PolarHBondContact O-N 2.95Å; R349-L352 PolarHBondContact O-N 2.85Å; R349-E353 IonicContact CZ-OE1 3.04Å; R349-E353 VanDerWaalsContact CZ-OE1 3.27Å; R349-E353 IonicContact NE-OE1 3.12Å; R349-E353 PolarHBondContact NE-OE1 3.28Å; R349-E353 IonicContact NH2-OE1 2.77Å; R349-E353 PolarHBondContact NH2-OE1 3.31Å; R349-E353 WeakPolarHBondContact O-CG 3.41Å; R349-E353 PolarHBondContact O-N 2.86Å
350K92.2Very high86.8Confident156 Ų156111.7 Ų111.768%0.67851%0.51SS*.Hα-helixtrans-61.3-39.1176.6-171.4-178178.6-173.40111.7L346 E347 E353 E354L346-K350 WeakPolarHBondContact O-CB 3.44Å; L346-K350 PolarHBondContact O-N 3.28Å; E347-K350 PolarHBondContact O-N 2.85Å; E347-K350 VanDerWaalsContact O-N 3.15Å; K350-E353 PolarHBondContact O-N 3.38Å; K350-E354 WeakPolarHBondContact O-CB 3.43Å; K350-E354 PolarHBondContact O-N 2.85Å
351V93.2Very high88.2Confident95 Ų95113 Ų11358%0.57651%0.514SS*.Hα-helixtrans-65.7-38.3174.7170.10000111.9E347 H348 R349 K355E347-V351 WeakPolarHBondContact O-CG2 3.45Å; E347-V351 PolarHBondContact O-N 3.12Å; H348-V351 PolarHBondContact O-N 2.75Å; R349-V351 VanDerWaalsContact C-N 3.31Å; R349-V351 PolarHBondContact O-N 2.95Å; V351-K355 VanDerWaalsContact O-CB 3.32Å; V351-K355 WeakPolarHBondContact O-CB 2.71Å; V351-K355 PolarHBondContact O-N 2.9Å
352L93Very high89.3Confident89 Ų89114.3 Ų114.347%0.46651%0.511SS..Hα-helixtrans-67.7-42.4173.6-75.9171.4000112.5H348 R349 E354 K355 M356H348-L352 WeakPolarHBondContact O-CG 3.46Å; H348-L352 PolarHBondContact O-N 3.01Å; R349-L352 PolarHBondContact O-N 2.85Å; L352-E354 VanDerWaalsContact C-N 3.34Å; L352-K355 PolarHBondContact O-N 2.81Å; L352-M356 WeakPolarHBondContact O-CB 3.42Å; L352-M356 VanDerWaalsContact O-CG 3.26Å; L352-M356 WeakPolarHBondContact O-CG 3.41Å; L352-M356 PolarHBondContact O-N 3.41Å
353E91.7Very high89.8Confident102 Ų102112.6 Ų112.648%0.47751%0.509SS..Hα-helixtrans-62.6-41.1175.8-72.7172.217800111R349 K350 M356 R357R349-E353 IonicContact CZ-OE1 3.04Å; R349-E353 VanDerWaalsContact CZ-OE1 3.27Å; R349-E353 IonicContact NE-OE1 3.12Å; R349-E353 PolarHBondContact NE-OE1 3.28Å; R349-E353 IonicContact NH2-OE1 2.77Å; R349-E353 PolarHBondContact NH2-OE1 3.31Å; R349-E353 WeakPolarHBondContact O-CG 3.41Å; R349-E353 PolarHBondContact O-N 2.86Å; K350-E353 PolarHBondContact O-N 3.38Å; E353-M356 PolarHBondContact O-N 2.9Å; E353-R357 PolarHBondContact O-N 2.8Å
354E91.5Very high89.9Confident66 Ų66113 Ų11331%0.30851%0.508SS..Hα-helixtrans-66.8-44173.5176.855.5-158.900112.8K350 L352 M356 R357 Q358K350-E354 WeakPolarHBondContact O-CB 3.43Å; K350-E354 PolarHBondContact O-N 2.85Å; L352-E354 VanDerWaalsContact C-N 3.34Å; E354-M356 VanDerWaalsContact C-N 3.26Å; E354-M356 PolarHBondContact O-N 3.19Å; E354-R357 CarbonylContact O-C 3.54Å; E354-R357 WeakPolarHBondContact O-CA 3.16Å; E354-R357 VanDerWaalsContact O-CB 3.29Å; E354-R357 WeakPolarHBondContact O-CB 3.05Å; E354-R357 PolarHBondContact O-N 2.86Å; E354-R357 IonicContact OE1-CZ 2.65Å; E354-R357 IonicContact OE1-NE 3.97Å; E354-R357 PolarHBondContact OE1-NE 3.49Å; E354-R357 IonicContact OE1-NH2 2.8Å; E354-R357 PolarHBondContact OE1-NH2 3.39Å; E354-R357 IonicContact OE2-CZ 3.03Å; E354-R357 IonicContact OE2-NE 3.09Å; E354-R357 PolarHBondContact OE2-NE 3.03Å; E354-R357 IonicContact OE2-NH2 3.5Å; E354-R357 PolarHBondContact OE2-NH2 3.49Å; E354-Q358 WeakPolarHBondContact O-CG 3.48Å; E354-Q358 PolarHBondContact O-N 3.13Å; E354-Q358 WeakPolarHBondContact OE1-CG 3.31Å; E354-Q358 PolarHBondContact OE1-NE2 3.44Å
355K92.6Very high90.2Very high145 Ų145111.9 Ų111.963%0.6350%0.503SS*.Hα-helixtrans-63.4-33.5176.8-172.3168.2-176.1169.60112.3V351 L352 K359V351-K355 VanDerWaalsContact O-CB 3.32Å; V351-K355 WeakPolarHBondContact O-CB 2.71Å; V351-K355 PolarHBondContact O-N 2.9Å; L352-K355 PolarHBondContact O-N 2.81Å; K355-K359 WeakPolarHBondContact O-CB 3.48Å; K355-K359 PolarHBondContact O-N 2.76Å
356M88.2Confident90.2Very high119 Ų119110.6 Ų110.659%0.58651%0.505SS*.Hα-helixtrans-72.2-31.1171.7-70.5-69.9-76.100112.3L352 E353 E354 R360L352-M356 WeakPolarHBondContact O-CB 3.42Å; L352-M356 VanDerWaalsContact O-CG 3.26Å; L352-M356 WeakPolarHBondContact O-CG 3.41Å; L352-M356 PolarHBondContact O-N 3.41Å; E353-M356 PolarHBondContact O-N 2.9Å; E354-M356 VanDerWaalsContact C-N 3.26Å; E354-M356 PolarHBondContact O-N 3.19Å; M356-R360 WeakPolarHBondContact O-CB 3.43Å; M356-R360 PolarHBondContact O-N 2.84Å
357R93.8Very high90Very high130 Ų130110.8 Ų110.849%0.49150%0.499SS..Hα-helixtrans-66.5-47.1170.7-168.2-171.871.889.54111.2E353 E354 R360 L361E353-R357 PolarHBondContact O-N 2.8Å; E354-R357 CarbonylContact O-C 3.54Å; E354-R357 WeakPolarHBondContact O-CA 3.16Å; E354-R357 VanDerWaalsContact O-CB 3.29Å; E354-R357 WeakPolarHBondContact O-CB 3.05Å; E354-R357 PolarHBondContact O-N 2.86Å; E354-R357 IonicContact OE1-CZ 2.65Å; E354-R357 IonicContact OE1-NE 3.97Å; E354-R357 PolarHBondContact OE1-NE 3.49Å; E354-R357 IonicContact OE1-NH2 2.8Å; E354-R357 PolarHBondContact OE1-NH2 3.39Å; E354-R357 IonicContact OE2-CZ 3.03Å; E354-R357 IonicContact OE2-NE 3.09Å; E354-R357 PolarHBondContact OE2-NE 3.03Å; E354-R357 IonicContact OE2-NH2 3.5Å; E354-R357 PolarHBondContact OE2-NH2 3.49Å; R357-R360 PolarHBondContact O-N 2.79Å; R357-L361 PolarHBondContact O-N 3.37Å
358Q93Very high89.5Confident90 Ų90112.7 Ų112.742%0.42151%0.512SS..Hα-helixtrans-59.6-52.9177.3-70.81731.400111.4E354 R360 L361 E362E354-Q358 WeakPolarHBondContact O-CG 3.48Å; E354-Q358 PolarHBondContact O-N 3.13Å; E354-Q358 WeakPolarHBondContact OE1-CG 3.31Å; E354-Q358 PolarHBondContact OE1-NE2 3.44Å; Q358-R360 PolarHBondContact O-N 3.42Å; Q358-L361 CarbonylContact O-C 3.58Å; Q358-L361 WeakPolarHBondContact O-CA 3.04Å; Q358-L361 WeakPolarHBondContact O-CB 3.36Å; Q358-L361 PolarHBondContact O-N 2.83Å; Q358-E362 WeakPolarHBondContact O-CG 3.4Å; Q358-E362 PolarHBondContact O-N 3.2Å
359K93.5Very high89Confident120 Ų120113.3 Ų113.352%0.52251%0.513SS..Hα-helixtrans-58.4-34.4176.8-174.5172.7-179.2177.60113.2K355 E362 Q363K355-K359 WeakPolarHBondContact O-CB 3.48Å; K355-K359 PolarHBondContact O-N 2.76Å; K359-E362 WeakPolarHBondContact CA-OE2 3.31Å; K359-Q363 WeakPolarHBondContact O-CB 3.19Å; K359-Q363 VanDerWaalsContact O-CG 3.28Å; K359-Q363 WeakPolarHBondContact O-CG 3.19Å; K359-Q363 PolarHBondContact O-N 3.36Å
360R91.8Very high88.2Confident142 Ų142113.9 Ų113.954%0.53652%0.52SS..Hα-helixtrans-69.7-39.1174.4-168.3-178.6-63.9128.9-0.1111.5M356 R357 Q358 Q363 Y364M356-R360 WeakPolarHBondContact O-CB 3.43Å; M356-R360 PolarHBondContact O-N 2.84Å; R357-R360 PolarHBondContact O-N 2.79Å; Q358-R360 PolarHBondContact O-N 3.42Å; R360-Q363 PolarHBondContact O-N 2.89Å; R360-Y364 HydrophobicContact CG-CD2 4.21Å; R360-Y364 HydrophobicContact CG-CE2 4.03Å; R360-Y364 VanDerWaalsContact O-CD2 3.24Å; R360-Y364 WeakPolarHBondContact O-CD2 3.35Å; R360-Y364 PolarHBondContact O-N 2.86Å
361L92.5Very high86.7Confident99 Ų99112.9 Ų112.952%0.51852%0.518SS..Hα-helixtrans-65.5-46.1175.4-176.261.7000111.5R357 Q358 Q363 Y364 E365R357-L361 PolarHBondContact O-N 3.37Å; Q358-L361 CarbonylContact O-C 3.58Å; Q358-L361 WeakPolarHBondContact O-CA 3.04Å; Q358-L361 WeakPolarHBondContact O-CB 3.36Å; Q358-L361 PolarHBondContact O-N 2.83Å; L361-Q363 VanDerWaalsContact C-N 3.25Å; L361-Q363 PolarHBondContact O-N 3.05Å; L361-Y364 CarbonylContact O-C 3.56Å; L361-Y364 WeakPolarHBondContact O-CA 3.11Å; L361-Y364 WeakPolarHBondContact O-CB 3.47Å; L361-Y364 PolarHBondContact O-N 3.07Å; L361-E365 PolarHBondContact O-N 2.9Å
362E91.2Very high85Confident108 Ų108110.8 Ų110.851%0.50552%0.516SS..Hα-helixtrans-54-42.1171.1-68.6166.2179.500111.3Q358 K359 Y364 E365 M366Q358-E362 WeakPolarHBondContact O-CG 3.4Å; Q358-E362 PolarHBondContact O-N 3.2Å; K359-E362 WeakPolarHBondContact CA-OE2 3.31Å; E362-Y364 VanDerWaalsContact C-N 3.31Å; E362-Y364 PolarHBondContact O-N 3.38Å; E362-E365 PolarHBondContact O-N 2.66Å; E362-M366 WeakPolarHBondContact O-CB 3.48Å; E362-M366 WeakPolarHBondContact O-CG 3.27Å; E362-M366 PolarHBondContact O-N 2.87Å
363Q85.1Confident82.9Confident102 Ų102112.1 Ų112.148%0.47753%0.528SS..Hα-helixtrans-70.9-17.9175-76.2179.9-32.900114.5K359 R360 L361 R367K359-Q363 WeakPolarHBondContact O-CB 3.19Å; K359-Q363 VanDerWaalsContact O-CG 3.28Å; K359-Q363 WeakPolarHBondContact O-CG 3.19Å; K359-Q363 PolarHBondContact O-N 3.36Å; R360-Q363 PolarHBondContact O-N 2.89Å; L361-Q363 VanDerWaalsContact C-N 3.25Å; L361-Q363 PolarHBondContact O-N 3.05Å; Q363-R367 PolarHBondContact O-NE 2.84Å; Q363-R367 PolarHBondContact O-NH2 2.88Å
364Y86.3Confident80.1Confident130 Ų130112.5 Ų112.551%0.5154%0.541SS..Hα-helixtrans-85.9-39.1167.7-85.6-76.6000111.1R360 L361 E362 R367 L368R360-Y364 HydrophobicContact CG-CD2 4.21Å; R360-Y364 HydrophobicContact CG-CE2 4.03Å; R360-Y364 VanDerWaalsContact O-CD2 3.24Å; R360-Y364 WeakPolarHBondContact O-CD2 3.35Å; R360-Y364 PolarHBondContact O-N 2.86Å; L361-Y364 CarbonylContact O-C 3.56Å; L361-Y364 WeakPolarHBondContact O-CA 3.11Å; L361-Y364 WeakPolarHBondContact O-CB 3.47Å; L361-Y364 PolarHBondContact O-N 3.07Å; E362-Y364 VanDerWaalsContact C-N 3.31Å; E362-Y364 PolarHBondContact O-N 3.38Å; Y364-R367 VanDerWaalsContact CE1-NH2 3.35Å; Y364-R367 VanDerWaalsContact CG-NH2 3.3Å; Y364-R367 PolarHBondContact O-N 3.38Å; Y364-L368 WeakPolarHBondContact O-CB 3.49Å; Y364-L368 PolarHBondContact O-N 3.28Å
365E87Confident77.6Confident92 Ų92116.6 Ų116.643%0.4356%0.564SS.*Hα-helixtrans-66.2-39.9177.3-165.1-171157.300112.1L361 E362 L368 K369L361-E365 PolarHBondContact O-N 2.9Å; E362-E365 PolarHBondContact O-N 2.66Å; E365-L368 PolarHBondContact O-N 2.86Å; E365-K369 HydrophobicContact CG-CD 4.3Å; E365-K369 WeakPolarHBondContact O-CB 3.46Å; E365-K369 WeakPolarHBondContact O-CG 3.34Å; E365-K369 PolarHBondContact O-N 3.38Å; E365-K369 VanDerWaalsContact OE1-CE 3.29Å; E365-K369 WeakPolarHBondContact OE1-CE 3.38Å; E365-K369 IonicContact OE1-NZ 3.75Å; E365-K369 PolarHBondContact OE1-NZ 2.87Å
366M82Confident74.7Confident125 Ų125119.2 Ų119.262%0.61658%0.575SS**Hα-helixtrans-58.2-47.2170.8-84179.758.300111.5E362 K369 E370E362-M366 WeakPolarHBondContact O-CB 3.48Å; E362-M366 WeakPolarHBondContact O-CG 3.27Å; E362-M366 PolarHBondContact O-N 2.87Å; M366-K369 PolarHBondContact O-N 2.71Å; M366-E370 VanDerWaalsContact O-CB 3.28Å; M366-E370 WeakPolarHBondContact O-CB 3.3Å; M366-E370 PolarHBondContact O-N 3.11Å
367R84.2Confident72.1Confident101 Ų101119.2 Ų119.238%0.38159%0.587SS.*Hα-helixtrans-65.9-41.1177.8-82.5177.3-70.7147.15.4112.3Q363 Y364 K369 E370 E371Q363-R367 PolarHBondContact O-NE 2.84Å; Q363-R367 PolarHBondContact O-NH2 2.88Å; Y364-R367 VanDerWaalsContact CE1-NH2 3.35Å; Y364-R367 VanDerWaalsContact CG-NH2 3.3Å; Y364-R367 PolarHBondContact O-N 3.38Å; R367-K369 VanDerWaalsContact C-N 3.26Å; R367-K369 PolarHBondContact O-N 2.75Å; R367-E370 PolarHBondContact O-N 3.12Å; R367-E371 VanDerWaalsContact O-CB 3.25Å; R367-E371 WeakPolarHBondContact O-CB 3.42Å; R367-E371 VanDerWaalsContact O-CG 3.31Å; R367-E371 WeakPolarHBondContact O-CG 3.35Å; R367-E371 PolarHBondContact O-N 2.99Å
368L79.7Confident69.4Low121 Ų121119.6 Ų119.663%0.63460%0.604SS**Hα-helixtrans-61.8-33.2173.1-83.1162.4000112.7Y364 E365 G372Y364-L368 WeakPolarHBondContact O-CB 3.49Å; Y364-L368 PolarHBondContact O-N 3.28Å; E365-L368 PolarHBondContact O-N 2.86Å; L368-G372 VanDerWaalsContact O-CA 3.32Å; L368-G372 WeakPolarHBondContact O-CA 3.26Å; L368-G372 PolarHBondContact O-N 2.78Å
369K79.9Confident66.9Low125 Ų125122.1 Ų122.154%0.54362%0.62SS.*Hα-helixtrans-74.6-42.7173.3-75.4168.7173.41730112E365 M366 R367 G372 T373E365-K369 HydrophobicContact CG-CD 4.3Å; E365-K369 WeakPolarHBondContact O-CB 3.46Å; E365-K369 WeakPolarHBondContact O-CG 3.34Å; E365-K369 PolarHBondContact O-N 3.38Å; E365-K369 VanDerWaalsContact OE1-CE 3.29Å; E365-K369 WeakPolarHBondContact OE1-CE 3.38Å; E365-K369 IonicContact OE1-NZ 3.75Å; E365-K369 PolarHBondContact OE1-NZ 2.87Å; M366-K369 PolarHBondContact O-N 2.71Å; R367-K369 VanDerWaalsContact C-N 3.26Å; R367-K369 PolarHBondContact O-N 2.75Å; K369-G372 CarbonylContact O-C 3.59Å; K369-G372 PolarHBondContact O-N 2.66Å; K369-T373 WeakPolarHBondContact O-CB 3.43Å; K369-T373 WeakPolarHBondContact O-CG2 3.38Å; K369-T373 PolarHBondContact O-N 2.93Å; K369-T373 PolarHBondContact O-OG1 3.44Å
370E69.3Low64.3Low134 Ų134124.2 Ų124.263%0.62663%0.632SS**Hα-helixtrans-64.8-52.8179.1-171.9169.5-160.300111.4M366 R367 G372 T373M366-E370 VanDerWaalsContact O-CB 3.28Å; M366-E370 WeakPolarHBondContact O-CB 3.3Å; M366-E370 PolarHBondContact O-N 3.11Å; R367-E370 PolarHBondContact O-N 3.12Å; E370-G372 VanDerWaalsContact C-N 3.32Å; E370-G372 PolarHBondContact O-N 3.48Å; E370-T373 PolarHBondContact O-N 3.45Å; E370-T373 PolarHBondContact O-OG1 3.01Å
371E60.1Low61.8Low136 Ų136123.8 Ų123.864%0.63664%0.64SS**Hα-helixtrans-62.4-38.6172.3-65.5169-164.800111.1R367 C374R367-E371 VanDerWaalsContact O-CB 3.25Å; R367-E371 WeakPolarHBondContact O-CB 3.42Å; R367-E371 VanDerWaalsContact O-CG 3.31Å; R367-E371 WeakPolarHBondContact O-CG 3.35Å; R367-E371 PolarHBondContact O-N 2.99Å; E371-C374 PolarHBondContact O-N 2.84Å
372G58.8Low59.1Low51 Ų51125.3 Ų125.353%0.52665%0.654SS.*Hα-helixtrans-70.1-28.4178.500000115.1L368 K369 E370 C374L368-G372 VanDerWaalsContact O-CA 3.32Å; L368-G372 WeakPolarHBondContact O-CA 3.26Å; L368-G372 PolarHBondContact O-N 2.78Å; K369-G372 CarbonylContact O-C 3.59Å; K369-G372 PolarHBondContact O-N 2.66Å; E370-G372 VanDerWaalsContact C-N 3.32Å; E370-G372 PolarHBondContact O-N 3.48Å; G372-C374 PolarHBondContact O-N 3.46Å
373T48Very low56.7Low117 Ų117123.9 Ų123.972%0.71867%0.668SS**G310 helixtrans-72.4-12.2176.840.70000114.1K369 E370 L375K369-T373 WeakPolarHBondContact O-CB 3.43Å; K369-T373 WeakPolarHBondContact O-CG2 3.38Å; K369-T373 PolarHBondContact O-N 2.93Å; K369-T373 PolarHBondContact O-OG1 3.44Å; E370-T373 PolarHBondContact O-N 3.45Å; E370-T373 PolarHBondContact O-OG1 3.01Å; T373-L375 VanDerWaalsContact C-N 3.29Å; T373-L375 PolarHBondContact O-N 2.93Å
374C32.8Very low54.4Low110 Ų110128.4 Ų128.474%0.74369%0.689SS**G310 helixtrans-82.411.8-174.2-160.70000115E371 G372E371-C374 PolarHBondContact O-N 2.84Å; G372-C374 PolarHBondContact O-N 3.46Å
375L38.8Very low52.5Low151 Ų151128.7 Ų128.779%0.79170%0.704SS**G310 helixtrans-143.327.1-166-105.4177.3000118.3T373T373-L375 VanDerWaalsContact C-N 3.29Å; T373-L375 PolarHBondContact O-N 2.93Å
376K32.9Very low50.5Low201 Ų201129.6 Ų129.687%0.87472%0.721SS**  trans-153.877.3178.8-14681.9171.7-166.80118
377S33.5Very low48.4Very low118 Ų118131.4 Ų131.483%0.82573%0.733SS**  trans-155.961.3167.966.50000116.3
378T37.8Very low46.3Very low138 Ų138131.7 Ų131.785%0.84775%0.751SS**  trans-141111.1163.455.70000113.2
379N40Very low44.4Very low144 Ų144133 Ų13377%0.7776%0.759SS**  trans61.1118.3145.9-151.5-2.2000120.5
380E37.5Very low42.8Very low164 Ų164135.5 Ų135.577%0.76677%0.772SS**  trans-9.8146.4148.3-52.3163.1-160.800116.4
381N40.5Very low41.6Very low132 Ų132136.7 Ų136.771%0.70678%0.777SS**  -173.8157.764.1-154.6-9.1000113.4
382T36.6Very low40.4Very low131 Ų131141.8 Ų141.880%0.80479%0.791SS**  trans42.6124.9162.351.40000121.2
383G39.7Very low39.7Very low79 Ų79145.6 Ų145.681%0.81481%0.81SS**  trans165.280.415700000116.9V385G383-V385 PolarHBondContact O-N 2.8Å
384E36.6Very low39Very low196 Ų196147.6 Ų147.692%0.91681%0.811SS**  trans-69.1121.6168.4-58.6170.1163.100111.3
385V46.5Very low39.2Very low136 Ų136145 Ų14582%0.82480%0.803SS**  trans-165.9125.2138.4-102.70000113.3G383G383-V385 PolarHBondContact O-N 2.8Å
386S45.9Very low39.2Very low111 Ų111142.7 Ų142.778%0.77680%0.795SS**  trans47.6120.1137.8-53.80000121.8
387N37.4Very low39.5Very low163 Ų163136.2 Ų136.287%0.87278%0.779SS**  trans-60.1144.3154.6-49.4-24.8000111.4
388S40Very low40Very low108 Ų108137.9 Ų137.976%0.75578%0.779SS**  trans-154.3116.4146.156.10000108.5
389D38.8Very low40Very low149 Ų149138.4 Ų138.480%0.79778%0.776SS**  trans-58133.8161.2-43.5-92.2000108.6
390E47.6Very low40.3Very low177 Ų177137 Ų13783%0.82778%0.778SS**  trans-165.4161153.1-135.370.7-90.100111.2
391E44.6Very low40.2Very low158 Ų158138.4 Ų138.474%0.73878%0.784SS**  trans-51.9152.3-165.3-60172.5119.100119.3
392W35.1Very low40.3Very low244 Ų244139.6 Ų139.692%0.92479%0.789SS**  trans6123.1143.8-5588000118.6
393S42.4Very low40.4Very low131 Ų131137.9 Ų137.992%0.91678%0.783SS**  trans-155.2140.9152.4-81.50000112.1
394E34.7Very low40.2Very low158 Ų158141.6 Ų141.674%0.73878%0.784SS**  trans-115.8153.7-176.9-179.1169.3-147.500110.7
395G35.7Very low40.4Very low57 Ų57141.8 Ų141.859%0.58879%0.785SS**  trans84.6164-176.600000114.1
396V39.5Very low39.9Very low101 Ų101142.7 Ų142.761%0.61279%0.785SS**  cis-135150.93.6-75.90000111.2
397A39.7Very low39.2Very low66 Ų66142 Ų14255%0.54578%0.78SS.*  trans-71.3148.2176.500000112
398N43Very low38.9Very low152 Ų152141 Ų14181%0.81377%0.774SS**  trans-123.395.4151.1-81.3-76000106.7
399D37.5Very low38.3Very low150 Ų150139.5 Ų139.580%0.80277%0.769SS**  trans-63.6136.8165.7-68.6-62.7000108.4
400S46.3Very low38.1Very low114 Ų114138.8 Ų138.880%0.79776%0.761SS**  trans-143.8105.5168.7-73.80000108.1
401E37Very low37.4Very low194 Ų194134.4 Ų134.491%0.90774%0.74SS**  trans-52.9141.9170.8-48.8168.7125.500109.8
402I42.3Very low36.9Very low156 Ų156135.1 Ų135.180%0.874%0.744SS**  -171.1135.1117.5-167.5141.1000112.8
403S38Very low36.9Very low96 Ų96128.3 Ų128.367%0.67173%0.733SS**  trans46.5124.4154.664.40000121.4
404D36.6Very low36.3Very low157 Ų157127 Ų12784%0.8472%0.724SS**  trans-50.7142.9149.7-26.2-108.4000112.4
405E40.2Very low36.2Very low200 Ų200124.5 Ų124.594%0.93572%0.724SS**  trans-158.2146138.9-121171.1-153.800111.5
406D35.1Very low36.2Very low154 Ų154127 Ų12782%0.82472%0.724SS**  trans-83.7165.2-175.2-79.2-67.3000113.9
407S32.1Very low36.2Very low96 Ų96126.9 Ų126.967%0.67173%0.727SS**  trans93.2146143.379.50000121.7
408N29.8Very low36.3Very low142 Ų142131.9 Ų131.976%0.75974%0.739SS**  trans73.2135.7174.8-42.5-63.7000114.4
409A29.2Very low35.9Very low77 Ų77129 Ų12964%0.63673%0.731SS**  cis72.2141.532.900000112.4
410E32.8Very low36.1Very low135 Ų135130.3 Ų130.363%0.63173%0.732SS**  cis-136.8-160.216.9-83.1-66.4-176.300112.1K158K158-E410 IonicContact NZ-OE2 3.94Å; K158-E410 PolarHBondContact NZ-OE2 3.16Å
411E34.6Very low35.8Very low85 Ų85133.9 Ų133.940%0.39774%0.736SS.*  trans-10.9159.3152.7-47.8-50.772.100118.2K158K158-E411 WeakPolarHBondContact CD-OE1 3.42Å; K158-E411 WeakPolarHBondContact CD-OE2 3.3Å; K158-E411 WeakPolarHBondContact CE-OE1 3.22Å; K158-E411 IonicContact NZ-OE1 2.84Å; K158-E411 PolarHBondContact NZ-OE1 3.43Å
412E34.1Very low36.2Very low173 Ų173133.2 Ų133.281%0.80873%0.733SS**  cis-145.717739.9-46.7-79.8161.200109.8
413S33.9Very low36.1Very low100 Ų100133.4 Ų133.470%0.69973%0.731SS**  cis-163178.420-164.50000112.8
414S30.8Very low36.2Very low105 Ų105132 Ų13273%0.73473%0.731SS**  trans-54.1168.1161.9530000113.7
415S32.3Very low36.3Very low104 Ų104132.7 Ų132.773%0.72773%0.73SS**  cis-159.7143.936.3-167.20000108
416D35.9Very low36.5Very low111 Ų111131 Ų13159%0.59472%0.722SS**  cis78.9129.543.5-160.290.1000115.1K155K155-D416 IonicContact NZ-OD1 3.27Å
417S38.3Very low36.5Very low97 Ų97129.7 Ų129.768%0.67872%0.715SS**  trans67.1163.9176-61.60000116.4
418E42.8Very low37.1Very low172 Ų172133.8 Ų133.880%0.80472%0.723SS**  cis-138.1138.717.2-26.2-163.7123.300110
419S35.3Very low37.5Very low92 Ų92131.6 Ų131.664%0.64372%0.719SS**  86160.189.485.40000113.9
420E39.6Very low38.7Very low176 Ų176135.9 Ų135.982%0.82273%0.73SS**  cis-156.4-156.42-142.8158.8-85.500112
421E42Very low39.3Very low189 Ų189135.9 Ų135.988%0.88373%0.734SS**  trans69.4167.3-178.2-62.5179-170.900115.5
422E43.8Very low40.1Very low180 Ų180139 Ų13984%0.84175%0.754SS**  -162.1157.6-58.1-113.8-166.3-159.900105.8
423E40.8Very low40.9Very low160 Ų160137.6 Ų137.675%0.74875%0.752SS**  cis-164.2161.7-14.1-141.2-64.986.900107.3
424G39.4Very low41.6Very low66 Ų66141.6 Ų141.668%0.6876%0.76SS**  trans147.198.7160.800000118.1
425E39.9Very low42.6Very low173 Ų173146.1 Ų146.181%0.80877%0.769SS**  trans-85.1166.7172.6-56-173.5141.900113.9
426E43.2Very low43.3Very low165 Ų165148.5 Ų148.577%0.77177%0.774SS**  167.2115.3118.8-90.2-164.2-140.400113.7
427N36.3Very low44Very low125 Ų125150.2 Ų150.267%0.66878%0.783SS**  trans64.7155138.3-52.6-38000120.1
428E44.9Very low44.2Very low183 Ų183151.9 Ų151.986%0.85578%0.784SS**  cis-148167.3-0.5-140.4165-124.800110.9
429S37.7Very low44.1Very low95 Ų95149.5 Ų149.566%0.66478%0.781SS**  trans-111.5153.5-170.3570000114.8
430L54.3Low44.2Very low168 Ų168151.5 Ų151.588%0.8879%0.789SS**  trans-145.3138.5151-144.383.9000111.4
431D45Very low44.1Very low134 Ų134150 Ų15072%0.71779%0.792SS**  trans-96.5170177.5-54.1-80.7000111.7
432D52.7Low43.7Very low152 Ų152144.3 Ų144.381%0.81378%0.784SS**  trans-173.5117.8130.2-94.9-13.2000112.1
433D49.5Very low43.2Very low142 Ų142141 Ų14176%0.75978%0.781SS**  trans43111.1147.6-62.2-7.4000124.7
434E48.3Very low43Very low184 Ų184142.3 Ų142.386%0.8678%0.784SS**  24.1132121.2-57.2-172.1-18000122.2
435E53Low42.7Very low200 Ų200148.4 Ų148.494%0.93579%0.792SS**  -159.7133.8113.6-114.5-178.8-160.200112.6
436D46.2Very low42.3Very low155 Ų155144.5 Ų144.583%0.82979%0.79SS**  trans-94138.1175.1-109.8-41.8000110.5
437D50.2Low41.6Very low146 Ų146142 Ų14278%0.78179%0.79SS**  trans-167.289.2132.5-118.4-19.9000115.8
438N42.7Very low41.7Very low133 Ų133146.3 Ų146.371%0.71180%0.797SS**  68.7153.8107.3-149.3-5000123.4
439V40.5Very low41.2Very low122 Ų122144.6 Ų144.674%0.73979%0.789SS**  trans67.682.9166.4-158.50000119.9
440V37.2Very low41.1Very low134 Ų134152 Ų15281%0.81280%0.803SS**  trans-60.4144.2148.41690000112
441V37.7Very low40.5Very low143 Ų143148.4 Ų148.487%0.86779%0.789SS**  trans171.7133.6135.81520000109.6
442G33.6Very low39.8Very low71 Ų71148.1 Ų148.173%0.73280%0.796SS**  trans170.414.3168.700000121.5
443S34.7Very low39.4Very low111 Ų111148.1 Ų148.178%0.77680%0.795SS**  trans-41.4147.3-176.3-29.50000116.4
444K36.3Very low38.7Very low187 Ų187150.8 Ų150.881%0.81380%0.801SS**  -173.8131121.7-102.3165.2-175-173.90116.7
445K32.7Very low38.3Very low193 Ų193145.9 Ų145.984%0.83979%0.791SS**  trans73.2136.3142.8-70.4-166.2174.2-162.90122
446A31.4Very low38Very low92 Ų92143.6 Ų143.676%0.7679%0.786SS**  trans94.1101.8137.700000120.4
447S29.3Very low38.2Very low112 Ų112143.8 Ų143.878%0.78379%0.786SS**  51.4103.5119.2-163.80000119.5
448R37.7Very low37.9Very low215 Ų215144.7 Ų144.781%0.81179%0.786SS**  trans-158.9127132.9-104.7145.1173.4-156.8-7.3108.6
449Q34.4Very low38.1Very low148 Ų148140.4 Ų140.469%0.69277%0.769SS**  46.8101.696.5-61.3-177.7-69.800113
450R35.9Very low38.4Very low251 Ų251142.9 Ų142.995%0.94777%0.773SS**  trans-116.698.5141.6-85.7-167.4159.3172.3-4.6107.5
451P41.5Very low38.7Very low92 Ų92140.4 Ų140.460%0.59775%0.752SS**  trans-63.1168.3173.5-20.333.9000111.8
452C29.7Very low39Very low128 Ų128136.6 Ų136.687%0.86573%0.732SS**  trans-58.5136.3168.9-53.80000110.6
453L45.1Very low39.6Very low151 Ų151140.4 Ų140.479%0.79173%0.731SS**  trans-135.863175.3-75175.9000110.4
454F34.7Very low40Very low199 Ų199140.7 Ų140.787%0.87372%0.724SS**SBendtrans-149.739.3164.4-79.6-62.5000110.7
455A40.3Very low40.4Very low80 Ų80137.2 Ų137.266%0.66171%0.714SS**SBendtrans-157.8148.3168.700000108.8
456D46.9Very low41.1Very low153 Ų153135.2 Ų135.282%0.81871%0.708SS**  trans44.387.2169.9-59.9-7.8000118.3
457D50.4Low41.9Very low158 Ų158133.9 Ų133.985%0.84569%0.69SS**  -166.9130.5123.1-120.6-28.1000111
458E42.4Very low42.5Very low165 Ų165133.5 Ų133.577%0.77167%0.674SS**  trans177.369.7153.4-93.4-100.812700111.2H611E458-H611 PolarHBondContact O-CD2 2.79Å
459A47.8Very low42.6Very low44 Ų44127.2 Ų127.236%0.36467%0.668SS.*  trans57.6146.4156.900000120.4T610 H611A459-T610 VanDerWaalsContact C-CG2 3.44Å; A459-T610 HydrophobicContact CB-CG2 3.73Å; A459-T610 VanDerWaalsContact O-CB 3.27Å; A459-T610 WeakPolarHBondContact O-CB 2.99Å; A459-T610 WeakPolarHBondContact O-CG2 3.08Å; A459-H611 WeakPolarHBondContact O-CB 3.4Å; A459-H611 PolarHBondContact O-CD2 2.74Å
460E46.5Very low42.9Very low173 Ų173128.9 Ų128.981%0.80868%0.676SS**  cis76.670.824.3-66.6-76.3-165.400118.1
461E43.6Very low43.2Very low83 Ų83120.4 Ų120.439%0.38866%0.66SS.*  trans-144.5112.8148-99.3171.2-80.700107.4S608 S609 T610E461-S608 WeakPolarHBondContact OE2-CB 3.35Å; E461-S608 PolarHBondContact OE2-OG 3.38Å; E461-S609 WeakPolarHBondContact OE1-CB 3.45Å; E461-S609 PolarHBondContact OE1-OG 2.87Å; E461-S609 WeakPolarHBondContact OE2-CB 3.44Å; E461-T610 HydrophobicContact CB-CG2 3.85Å; E461-T610 VanDerWaalsContact N-CG2 3.33Å; E461-T610 PolarHBondContact N-OG1 3.43Å; E461-T610 PolarHBondContact O-OG1 3.16Å; E461-T610 VanDerWaalsContact O-OG1 3.05Å
462S43.3Very low43.1Very low63 Ų63123.4 Ų123.444%0.44167%0.671SS.*  83.5140.590.192.80000112.7S608S462-S608 VanDerWaalsContact OG-CB 3.25Å; S462-S608 WeakPolarHBondContact OG-CB 3.41Å
463E47.3Very low43.5Very low151 Ų151125 Ų12571%0.70667%0.67SS**  cis-171160.52.3-137.1-177-146.800109.6
464N43.5Very low43.4Very low117 Ų117122.2 Ų122.263%0.62666%0.662SS**  trans63.7153.5158-49.2-38.2000117.3
465D44.7Very low43.5Very low113 Ų113121 Ų12160%0.60466%0.659SS**  cis179.3131.2-25.3-100.9-13.1000103.1Q1060D465-Q1060 PolarHBondContact O-NE2 3.44Å; D465-Q1060 VanDerWaalsContact O-NE2 3.08Å
466E46.8Very low43.3Very low152 Ų152123.5 Ų123.571%0.7166%0.661SS**  66.3141.986-92.1-77.8-169.500115.8Q1060E466-Q1060 VanDerWaalsContact O-CD 3.25Å; E466-Q1060 PolarHBondContact O-NE2 2.91Å
467V47.9Very low43Very low63 Ų63123.7 Ų123.738%0.38266%0.657SS.*  trans64.5157.4178.8-39.60000117.9Q1060V467-Q1060 HydrophobicContact CG2-CB 3.89Å; V467-Q1060 HydrophobicContact CG2-CG 3.86Å; V467-Q1060 WeakPolarHBondContact O-CG 3.47Å; V467-Q1060 PolarHBondContact O-NE2 2.99Å
468F42.2Very low42.7Very low105 Ų105124.6 Ų124.646%0.46166%0.656SS.*  cis-126.4159.4-13.5-78.1-77.8000107.9
469A40.2Very low42.4Very low82 Ų82120.1 Ų120.168%0.67865%0.647SS**  cis81.170.919.200000117.2
470E40Very low41.9Very low184 Ų184125.1 Ų125.186%0.8667%0.667SS**  trans-100.4131.5149.2-74.9-174158.300107
471A42.1Very low41.4Very low73 Ų73123.2 Ų123.260%0.60367%0.667SS**  cis67124.818.400000114.3
472D39.9Very low40.8Very low155 Ų155124.6 Ų124.683%0.82969%0.685SS**  cis-156.3156.7-7.7-83.6-43.1000107.1
473D38.1Very low40.5Very low160 Ų160130.1 Ų130.186%0.85670%0.701SS**  -169.5146.4126.2-123.2-10.4000111.9
474P43.3Very low40Very low94 Ų94129.6 Ų129.661%0.6170%0.703SS**  trans-115.1-164.8177.133.2-14.1000112.7
475E35.8Very low39.7Very low174 Ų174127.1 Ų127.181%0.81369%0.694SS**  trans73.6150.7170.1-47.7-174.6165.200112.9
476D37.7Very low39.4Very low131 Ų131124.6 Ų124.670%0.70169%0.689SS**  cis-153.5157.414.8-145.81000113.9
477E39.5Very low39.2Very low157 Ų157122.2 Ų122.273%0.73468%0.681SS**  trans56.8160.9152.1-79.5-68.4-17400124.9
478E43.3Very low38.7Very low177 Ų177124.4 Ų124.483%0.82769%0.69SS**  trans64.9138.8166.8-62.3-151.7-135.700119.1
479A37.4Very low38.6Very low71 Ų71128.1 Ų128.159%0.58771%0.706SS**  cis-163.6147.7-11.700000112.8
480L37.9Very low38.7Very low150 Ų150131.6 Ų131.679%0.78571%0.708SS**  trans58.9114.4142.2-63.8169.8000122.2
481T34.5Very low38.4Very low132 Ų132128.8 Ų128.881%0.8170%0.699SS**  trans80.9127.3131.460.40000121.8
482C31.2Very low38.4Very low112 Ų112134.2 Ų134.276%0.75771%0.708SS**  trans-90.6162.6165.938.40000112.9
483K37.5Very low38.3Very low180 Ų180132.5 Ų132.578%0.78371%0.709SS**  trans-179.1152.3134.3-100.8150.2-169.7156.60116.5
484D37Very low38Very low139 Ų139130.5 Ų130.574%0.74371%0.706SS**  trans57.1143.9151.9-50.4-13.1000119.2
485C35.9Very low37.7Very low65 Ų65130.9 Ų130.944%0.43971%0.711SS.*  cis-153.5153.6-10.8-101.60000106.5D1251C485-D1251 PolarHBondContact SG-OD2 3.23Å
486A39.9Very low37.8Very low61 Ų61131.6 Ų131.650%0.50471%0.712SS.*  63.6145.268.400000113.7D1251 P1252A486-D1251 HydrophobicContact CB-CB 3.73Å; A486-P1252 HydrophobicContact CB-CB 3.84Å
487D41.9Very low37.8Very low101 Ų101130.8 Ų130.854%0.5471%0.711SS.*  cis-166.6-175-8.5-147.6-31.8000112.2D1251D487-D1251 HydrophobicContact CB-CB 4.15Å
488I38.1Very low37.5Very low110 Ų110129.8 Ų129.856%0.56472%0.716SS**  trans63.9125.3152.5-66.4156000118.1
489K39.2Very low37.1Very low183 Ų183124.8 Ų124.880%0.79671%0.712SS**  cis92.7153.434.9-72.5179177.7165.10115.9
490Q42.5Very low37.3Very low155 Ų155127.6 Ų127.672%0.72472%0.722SS**  trans87.9158.6171.2-53.5-151.449.700118.8
491N33.9Very low37.4Very low125 Ų125127.2 Ų127.267%0.66872%0.72SS**  cis-174.9159.7-46.4-97.1-25.3000110.2
492K41.6Very low37.6Very low186 Ų186127.3 Ų127.381%0.80972%0.716SS**  trans72.6156.6170.6-56.7145.8-177.2170.20114.9
493S38.7Very low38.1Very low120 Ų120129.2 Ų129.284%0.83972%0.718SS**  cis-159.1165.7-9.533.30000111.8
494C31.5Very low38Very low118 Ų118126.8 Ų126.880%0.79771%0.713SS**  trans-81.2148.5-177.7178.30000114.7
495S36.5Very low38Very low102 Ų102124.6 Ų124.671%0.71371%0.705SS**  168.1126.7126.5-78.10000118
496K39Very low38Very low189 Ų189127.5 Ų127.582%0.82272%0.716SS**  trans70.9145.9132.5-82-171.9170.7-178.60126.1
497T37.7Very low37.6Very low113 Ų113133.4 Ų133.469%0.69373%0.731SS**  trans9087.9138.139.90000124.4
498T31.8Very low37.2Very low137 Ų137132 Ų13284%0.8474%0.739SS**  60.7127.3114.855.40000124.2
499G36.4Very low37.1Very low72 Ų72135.6 Ų135.674%0.74275%0.751SS**  trans123138.7148.800000115
500V40.3Very low36.7Very low129 Ų129134 Ų13478%0.78275%0.751SS**  cis-156139.8-3.9-87.10000112.4
501N39.9Very low36.3Very low142 Ų142134.2 Ų134.276%0.75976%0.756SS**  trans62.9145.5141.9-575.1000124
502N40.3Very low36.3Very low135 Ų135132.3 Ų132.372%0.72276%0.757SS**  trans75.1102.9163.7-56.5-7.6000116.3
503L41.5Very low35.7Very low151 Ų151135.2 Ų135.279%0.79176%0.763SS**  77.2127.773.5-71166000112.2
504N35.6Very low35.3Very low129 Ų129133.7 Ų133.769%0.6975%0.753SS**  cis-148.8127.214.1-164.460.2000113.7
505V35.5Very low35.3Very low94 Ų94136.7 Ų136.757%0.5776%0.755SS**  trans33.5113.2134.6-175.20000117.3
506D36.7Very low35.1Very low125 Ų125137.8 Ų137.867%0.66876%0.757SS**  68.8155.465.9-54.2-54.8000113.5
507F30.5Very low34.8Very low186 Ų186134.8 Ų134.882%0.81676%0.757SS**  cis-137.8149.12.6-88.6-72.3000109
508G33.5Very low34.8Very low70 Ų70138.1 Ų138.172%0.72277%0.765SS**  93.5164.29200000112.7
509K36.6Very low35.2Very low186 Ų186141.5 Ų141.581%0.80977%0.768SS**  cis169.3136.8-24.7-118.6-174.9179.5-179.40106.6
510N30.5Very low35.6Very low149 Ų149146.4 Ų146.480%0.79777%0.771SS**  trans71.3150.2-179.5-33.7-63.6000112.6
511I34.3Very low35.3Very low160 Ų160147.8 Ų147.882%0.82177%0.769SS**  cis-146.5132.445.1-76.7157.9000106.8
512A33.4Very low35.3Very low85 Ų85147.5 Ų147.570%0.70277%0.767SS**  75.9103.753.200000115.3
513R30Very low35.3Very low247 Ų247148.6 Ų148.693%0.93277%0.767SS**  trans4.2138.7160.7-48.3176175176-4.5117.2
514S29.5Very low35.1Very low89 Ų89148.4 Ų148.462%0.62277%0.766SS**  173.8150.657.557.40000114.6
515H31.3Very low35.4Very low180 Ų180148.7 Ų148.783%0.83377%0.768SS**  trans59.5163.8163.7-48.7-65.2000116.2
516T33.4Very low35.7Very low125 Ų125151.1 Ų151.177%0.76778%0.778SS**  cis-133.1166.86.640.30000111.2
517P32.9Very low35.4Very low126 Ų126154.1 Ų154.182%0.81879%0.785SS**PPolyproline II helixtrans-75.8148.9173.231.9-35.9000113.1
518Q36.4Very low35.9Very low184 Ų184151.8 Ų151.886%0.8679%0.786SS**PPolyproline II helixtrans-80.5136.7171.1-67.9175.2-74.600111.2
519K40.7Very low36Very low207 Ų207155.2 Ų155.290%0.979%0.788SS**PPolyproline II helixtrans-92.7131.3155.9-81.1-172.3173.5-174.30109.1
520Q44.1Very low36Very low175 Ų175153.9 Ų153.982%0.81879%0.789SS**  trans-107.9118.7151.3-65.9168-18.400103.5
521H34.9Very low36.4Very low158 Ų158151.8 Ų151.873%0.73178%0.783SS**  cis81.5115.342.6-164.9-112.4000112.3
522L39.2Very low36.3Very low137 Ų137151.9 Ų151.972%0.71778%0.78SS**  trans67.6150.6-174.9-56171.4000114.6
523Q39.9Very low36.3Very low157 Ų157155.7 Ų155.773%0.73478%0.784SS**  cis-135.8155.49.8-146.1168.2-47.400111.6
524L38.6Very low36.6Very low147 Ų147149.3 Ų149.377%0.7777%0.772SS**  trans-72.2165.5154.3-9557.8000108.5
525D41.5Very low36.8Very low135 Ų135151.5 Ų151.572%0.72278%0.782SS**  167.2155.6120.7-73.7-24.5000109.1
526D42.3Very low37.1Very low145 Ų145146.7 Ų146.778%0.77578%0.781SS**  trans-81.4-175-171.5-79.9-68.8000114.3
527F29.7Very low37Very low189 Ų189150.3 Ų150.383%0.82979%0.787SS**  trans6896.5169.3-53.7-83.5000116.9
528T40.3Very low37.3Very low136 Ų136153.8 Ų153.883%0.83479%0.789SS**  trans-13578.6147.124.60000111.6
529D37.2Very low37.2Very low142 Ų142151.7 Ų151.776%0.75978%0.783SS**  trans-53.1158.9130.7-81-52.5000109.9P531D529-P531 WeakPolarHBondContact O-CD 3.45Å
530L36.6Very low36.8Very low159 Ų159151.3 Ų151.383%0.83278%0.782SS**  trans-65.7128.3-176.3-71.874.8000111.6
531P38.6Very low36.3Very low104 Ų104146.8 Ų146.868%0.67577%0.77SS**  -113.4121.8117.332.3-31.7000108.9D529D529-P531 WeakPolarHBondContact O-CD 3.45Å
532Q31.5Very low36.3Very low162 Ų162145 Ų14576%0.75777%0.774SS**  52.9112.375.8-70.4-165.7-22.400114.4
533E33.1Very low36Very low166 Ų166144.8 Ų144.878%0.77678%0.783SS**  trans85.7130.1144.4-69.1-165.4-168.100123.6
534T37.2Very low35.7Very low112 Ų112144.5 Ų144.569%0.68779%0.787SS**  trans79.190.6145.657.70000122.3
535T34.5Very low35.6Very low136 Ų136145.4 Ų145.483%0.83479%0.792SS**  34108.211857.90000119.5
536G36.1Very low35.4Very low79 Ų79141.5 Ų141.581%0.81478%0.784SS**  trans-146.654.8177.700000116.3K538G536-K538 PolarHBondContact O-N 3.44Å
537F32.5Very low35Very low201 Ų201146.2 Ų146.288%0.88279%0.792SS**  trans-61.1134.3174.8-86.9-93.4000112.9
538K38.5Very low35.1Very low199 Ų199142 Ų14287%0.86579%0.786SS**  trans-155108141.3-112.6149.6-167.1166.50113.5G536G536-K538 PolarHBondContact O-N 3.44Å
539L35.1Very low35Very low139 Ų139142.9 Ų142.973%0.72879%0.785SS**  trans-81.6143.5166.5-158.880.9000109.2
540F31.9Very low34.9Very low199 Ų199139.4 Ų139.487%0.87378%0.783SS**  trans-137.4148.7153-98.4-77.1000109.4
541S33.4Very low34.9Very low81 Ų81138.5 Ų138.557%0.56678%0.778SS**  trans-148.3150.8-163.2-53.40000113
542S34Very low34.8Very low119 Ų119137.4 Ų137.483%0.83277%0.771SS**  trans59.9127.7150-56.70000120
543C34Very low35Very low133 Ų133134.9 Ų134.990%0.89976%0.759SS**  trans-120.1156.4136.556.10000108.8
544N33.3Very low34.8Very low151 Ų151135.8 Ų135.881%0.80776%0.756SS**  trans-140.4147.4-153.4-160.37.1000111.4
545N37.3Very low34.6Very low167 Ų167136.2 Ų136.289%0.89375%0.75SS**  trans170.8141.1164.8-89.6-28.5000108.2
546G36.7Very low34.5Very low52 Ų52136.5 Ų136.554%0.53674%0.741SS.*  cis173.9173.6-400000110.6
547Y34.4Very low34.6Very low245 Ų245141.7 Ų141.796%0.96174%0.744SS**  trans72.4162.5-179.5-45-72.4000117.2
548S32.1Very low34.8Very low99 Ų99135.3 Ų135.369%0.69274%0.735SS**  -161168.4-92.8-171.50000111.2
549L38Very low34.9Very low155 Ų155132.1 Ų132.181%0.81273%0.732SS**  trans70.9143.8176.6-47168000114.9
550G33.8Very low35.1Very low70 Ų70133.7 Ų133.772%0.72274%0.74SS**  cis-171.9133.7-8.300000112.6
551L36.8Very low35.5Very low139 Ų139127.5 Ų127.573%0.72873%0.733SS**  trans-70.8165.7172.2-103.297.6000111.3
552P36.4Very low36.4Very low81 Ų81130.1 Ų130.153%0.52675%0.748SS.*  -161.8160.956.144.6-21.7000122.9I271I271-P552 HydrophobicContact CD1-CG 4.45Å
553Q34.9Very low36.7Very low109 Ų109127.3 Ų127.351%0.50973%0.732SS.*  trans69.2119.7132.3-74.8165.7-122.300124.9
554R30.8Very low37.2Very low186 Ų186126 Ų12670%0.70272%0.716SS**  78.6148.3125.7-69.4169.4-174.4-119.49118.9
555H32.2Very low37.9Very low121 Ų121126.5 Ų126.556%0.5672%0.717SS**  cis-149.2137.11.3-101-56.9000112.4
556H33.1Very low38.5Very low141 Ų141125.6 Ų125.665%0.65371%0.712SS**  trans49.9138.3146.8-55.6-57.8000125.9
557H36.8Very low39.1Very low188 Ų188131.2 Ų131.287%0.8773%0.729SS**  trans67130.2159.7-45.6-61000118.1
558G37Very low39.1Very low67 Ų67129.8 Ų129.869%0.69173%0.728SS**  cis175.9159.9-8.800000113.5
559T42Very low39.4Very low132 Ų132129.3 Ų129.381%0.8173%0.73SS**  trans52.194.2157.1-41.70000117.8
560L38.4Very low39.3Very low172 Ų172126.9 Ų126.990%0.90173%0.726SS**  74.6130.779.7-70.2168.5000115.7
561G41.1Very low39.6Very low70 Ų70130 Ų13072%0.72272%0.722SS**  trans-155.6147171.100000110.4
562P52.3Low39.4Very low136 Ų136129.2 Ų129.288%0.88373%0.727SS**  trans-92.5151.7-156.535.1-36.8000115.4
563A39.1Very low39.4Very low60 Ų60130.5 Ų130.550%0.49674%0.738SS.*  trans-152.2147.3155.300000108
564D45.8Very low39.5Very low105 Ų105130.3 Ų130.356%0.56175%0.748SS**  trans66.7108.9174.7-40.6-32.1000114.7R1173D564-R1173 IonicContact OD1-NH1 2.8Å; D564-R1173 IonicContact OD2-NH1 2.74Å
565I47.6Very low39.9Very low161 Ų161125.4 Ų125.483%0.82674%0.735SS**  trans-170.9117.1148.3-96.7150.5000110.1
566D49.9Very low40.3Very low148 Ų148125.5 Ų125.579%0.79174%0.739SS**  trans43.389.1147.2-48.2-21.2000121.5F568D566-F568 PolarHBondContact O-N 3.13Å
567L47.9Very low40.6Very low171 Ų171123.9 Ų123.990%0.89574%0.735SS**SBendtrans-72.191.9145.9-71.7108.3000109.8
568F34.5Very low40.9Very low215 Ų215123.8 Ų123.894%0.94373%0.727SS**  trans-172.455.7152.1-92.2-52.8000112.8D566D566-F568 PolarHBondContact O-N 3.13Å
569A39.5Very low41.1Very low88 Ų88127.6 Ų127.673%0.72774%0.737SS**  trans-150.1100.5162.900000111.4
570S35.1Very low41.4Very low104 Ų104128 Ų12873%0.72773%0.731SS**  33.1157.1122.5-48.80000122.5
571E40.5Very low41.6Very low136 Ų136124.9 Ų124.964%0.63672%0.716SS**  trans83.2136.5165.6-62.4155.5-128.600114.8R342R342-E571 IonicContact CZ-OE1 3.24Å; R342-E571 IonicContact NE-OE1 3.18Å; R342-E571 IonicContact NH2-OE1 2.73Å; R342-E571 PolarHBondContact NH2-OE1 3.36Å; R342-E571 IonicContact NH2-OE2 2.66Å
572C33.2Very low41.6Very low123 Ų123125.5 Ų125.583%0.83171%0.707SS**  trans-99-179.7-162.7-60.70000112.9
573S35.8Very low41.1Very low108 Ų108126 Ų12676%0.75570%0.697SS**  trans93.9114.3150.3-55.30000119.5
574S37.7Very low41.6Very low105 Ų105127.7 Ų127.773%0.73471%0.706SS**  trans86.1151.1135.179.80000120.9
575I37.7Very low41.4Very low83 Ų83129 Ų12943%0.42671%0.712SS.*  trans65.994.8160.1-69.4162.7000115R300R300-I575 VanDerWaalsContact NH1-CG2 3.28Å
576L42.4Very low41.2Very low123 Ų123127 Ų12764%0.64470%0.701SS**  91124.463.8-80.7169.3000114.5
577D39.3Very low40.8Very low106 Ų106123.6 Ų123.657%0.56769%0.694SS**  trans58.6121.3154.2-58.2-30.2000120.9
578R43.2Very low40.1Very low187 Ų187121.6 Ų121.671%0.70669%0.694SS**  -175.593.998.5-95.6169.9177.2177.2-1.1113.2E1039R578-E1039 IonicContact CZ-OE1 3.9Å; R578-E1039 IonicContact NH1-OE1 2.92Å; R578-E1039 PolarHBondContact NH1-OE1 3.25Å; R578-E1039 IonicContact NH2-OE1 3.27Å; R578-E1039 PolarHBondContact NH2-OE1 3.15Å
579T41.1Very low40.2Very low146 Ų146115.5 Ų115.590%0.89668%0.675SS**  trans-15475153.316.70000110.4
580M47Very low40.1Very low141 Ų141121.4 Ų121.470%0.69568%0.679SS**  trans-71.3129.1177.1-70.9-84104.600111.6P582M580-P582 WeakPolarHBondContact O-CD 3.46Å
581N43.8Very low40.2Very low107 Ų107123.3 Ų123.357%0.57268%0.68SS**  trans-104.693.9147.7-176.8-11.2000108.6Q583 S584N581-Q583 PolarHBondContact O-N 2.99Å; N581-Q583 VanDerWaalsContact O-N 3.16Å; N581-Q583 PolarHBondContact OD1-N 2.86Å; N581-Q583 VanDerWaalsContact OD1-N 3.11Å; N581-S584 PolarHBondContact O-OG 2.83Å
582P40.1Very low40Very low82 Ų82122.8 Ų122.853%0.53268%0.681SS.*THydrogen-bonded Turntrans-73.9-2.3-174.731-35.7000113.9M580M580-P582 WeakPolarHBondContact O-CD 3.46Å
583Q41.8Very low39.9Very low146 Ų146119.6 Ų119.668%0.68266%0.664SS**THydrogen-bonded Turntrans-85-26.7-179.1-63.4-168.5-3.300113.3N581 I585 L586 A587N581-Q583 PolarHBondContact O-N 2.99Å; N581-Q583 VanDerWaalsContact O-N 3.16Å; N581-Q583 PolarHBondContact OD1-N 2.86Å; N581-Q583 VanDerWaalsContact OD1-N 3.11Å; Q583-I585 PolarHBondContact O-N 3.3Å; Q583-L586 PolarHBondContact O-N 2.93Å; Q583-A587 WeakPolarHBondContact O-CB 3.46Å; Q583-A587 PolarHBondContact O-N 3.38Å; Q583-A587 VanDerWaalsContact O-N 3.09Å
584S49.7Very low39.8Very low96 Ų96118.4 Ų118.467%0.67165%0.652SS**THydrogen-bonded Turntrans-64.6-24.3175.658.40000113.2N581N581-S584 PolarHBondContact O-OG 2.83Å
585I41.3Very low39.6Very low134 Ų134117.8 Ų117.869%0.68764%0.644SS**THydrogen-bonded Turntrans-88-16.9-176-63.7176.3000112.7Q583Q583-I585 PolarHBondContact O-N 3.3Å
586L43.1Very low39.4Very low117 Ų117119.4 Ų119.461%0.61365%0.653SS**THydrogen-bonded Turntrans-120.6-17.3-177.2-68.2175.5000115.1Q583 S588 T589Q583-L586 PolarHBondContact O-N 2.93Å; L586-S588 PolarHBondContact O-N 2.87Å; L586-S588 VanDerWaalsContact O-N 3.08Å; L586-T589 PolarHBondContact O-N 3.35Å; L586-T589 VanDerWaalsContact O-N 3.12Å; L586-T589 PolarHBondContact O-OG1 2.78Å
587A42.6Very low39.3Very low77 Ų77116.6 Ų116.664%0.63665%0.653SS**THydrogen-bonded Turntrans-81.328.9-175.700000115.8Q583Q583-A587 WeakPolarHBondContact O-CB 3.46Å; Q583-A587 PolarHBondContact O-N 3.38Å; Q583-A587 VanDerWaalsContact O-N 3.09Å
588S32.6Very low39.6Very low129 Ų129119.3 Ų119.390%0.90267%0.668SS**THydrogen-bonded Turntrans-14225.5154.6-80.90000112.8L586L586-S588 PolarHBondContact O-N 2.87Å; L586-S588 VanDerWaalsContact O-N 3.08Å
589T37Very low39.2Very low88 Ų88115 Ų11554%0.5466%0.655SS.*  trans-89.5147.9156.867.60000109.8L586L586-T589 PolarHBondContact O-N 3.35Å; L586-T589 VanDerWaalsContact O-N 3.12Å; L586-T589 PolarHBondContact O-OG1 2.78Å
590R37.6Very low39Very low212 Ų212112 Ų11280%0.863%0.634SS**SBendtrans71110.2170.1-52.4175.467141.82117.2
591L36.8Very low38.6Very low143 Ų143110.9 Ų110.975%0.74963%0.625SS**  trans60.1111.2133.8-63162.6000118.1
592D36.3Very low38.2Very low125 Ų125109.1 Ų109.167%0.66862%0.621SS**  -151.3124.799.5-113.5-15.7000110.6K601D592-K601 WeakPolarHBondContact O-CE 3.39Å; D592-K601 PolarHBondContact O-NZ 3.33Å
593A32.2Very low38Very low57 Ų57114.5 Ų114.547%0.47163%0.631SS.*  trans-71137173.100000110.5N600A593-N600 WeakPolarHBondContact CA-OD1 3.28Å
594T32.6Very low37.7Very low82 Ų82115.9 Ų115.950%0.50364%0.635SS.*  trans-165.884.1162.63.90000110.9I596 N600 K601T594-I596 PolarHBondContact O-N 3.01Å; T594-N600 PolarHBondContact N-OD1 2.74Å; T594-K601 VanDerWaalsContact OG1-CE 3.25Å; T594-K601 WeakPolarHBondContact OG1-CE 2.94Å
595T33.8Very low37.1Very low93 Ų93117.1 Ų117.157%0.57164%0.639SS**  3971.9125.3-31.20000117.9E599T595-E599 VanDerWaalsContact CA-OE1 3.31Å; T595-E599 WeakPolarHBondContact CA-OE1 3.48Å; T595-E599 WeakPolarHBondContact CB-OE1 3.33Å; T595-E599 WeakPolarHBondContact CG2-OE1 3.37Å; T595-E599 VanDerWaalsContact N-CD 3.31Å; T595-E599 PolarHBondContact N-OE1 2.9Å; T595-E599 PolarHBondContact N-OE2 3.33Å; T595-E599 PolarHBondContact OG1-OE1 3.1Å
596I32.9Very low37Very low117 Ų117121.2 Ų121.260%0.665%0.645SS**SBend-89.4135.8115.8-68.1176.6000104.4T594 D598 E599T594-I596 PolarHBondContact O-N 3.01Å; I596-D598 CarbonylContact O-C 2.92Å; I596-D598 VanDerWaalsContact O-CA 3.32Å; I596-D598 WeakPolarHBondContact O-CA 3.45Å; I596-D598 PolarHBondContact O-N 2.92Å; I596-D598 VanDerWaalsContact O-O 3.05Å; I596-E599 WeakPolarHBondContact O-CA 3.23Å; I596-E599 PolarHBondContact O-N 3.24Å
597G41.3Very low36.7Very low63 Ų63122.1 Ų122.165%0.64965%0.651SS**SBendtrans-72.3114.7170.200000108.9
598D44.4Very low36.4Very low164 Ų164120.7 Ų120.788%0.87764%0.636SS**SBendcis-101.1151.81.6-63.7-51000113.3I596I596-D598 CarbonylContact O-C 2.92Å; I596-D598 VanDerWaalsContact O-CA 3.32Å; I596-D598 WeakPolarHBondContact O-CA 3.45Å; I596-D598 PolarHBondContact O-N 2.92Å; I596-D598 VanDerWaalsContact O-O 3.05Å
599E36.1Very low36.5Very low95 Ų95118.3 Ų118.344%0.44462%0.62SS.*  trans-84.5117.8-139.5-45.2-158.4146.100117T595 I596T595-E599 VanDerWaalsContact CA-OE1 3.31Å; T595-E599 WeakPolarHBondContact CA-OE1 3.48Å; T595-E599 WeakPolarHBondContact CB-OE1 3.33Å; T595-E599 WeakPolarHBondContact CG2-OE1 3.37Å; T595-E599 VanDerWaalsContact N-CD 3.31Å; T595-E599 PolarHBondContact N-OE1 2.9Å; T595-E599 PolarHBondContact N-OE2 3.33Å; T595-E599 PolarHBondContact OG1-OE1 3.1Å; I596-E599 WeakPolarHBondContact O-CA 3.23Å; I596-E599 PolarHBondContact O-N 3.24Å
600N36.7Very low36.4Very low83 Ų83117.1 Ų117.144%0.44461%0.612SS.*  169.1160108.2-84.6-52.5000116.2A593 T594A593-N600 WeakPolarHBondContact CA-OD1 3.28Å; T594-N600 PolarHBondContact N-OD1 2.74Å
601K37.8Very low36.3Very low118 Ų118113 Ų11351%0.51360%0.602SS.*  trans-22129.9169.6-62155.3-179.5169.10115D592 T594D592-K601 WeakPolarHBondContact O-CE 3.39Å; D592-K601 PolarHBondContact O-NZ 3.33Å; T594-K601 VanDerWaalsContact OG1-CE 3.25Å; T594-K601 WeakPolarHBondContact OG1-CE 2.94Å
602S36.1Very low36.3Very low70 Ų70110.3 Ų110.349%0.4960%0.595SS.*  cis72.7106.128.2137.70000117.6
603R35.8Very low36.6Very low196 Ų196112.8 Ų112.874%0.7460%0.603SS**  trans83.4147.8145-59.9178.9-174.297.1-6121.6
604F35.8Very low36.6Very low175 Ų175121 Ų12177%0.76862%0.621SS**  trans89.690.2163.2-52.8-65.9000114.9
605T36.1Very low36.7Very low122 Ų122124.2 Ų124.275%0.74864%0.636SS**  60.5119.269.272.60000114.3
606R39.8Very low36.9Very low219 Ų219126.8 Ų126.883%0.82665%0.646SS**  160.5123.9114.2-173.3158.5-167.6-179.8-0.4112
607N36Very low37.2Very low136 Ų136128 Ų12873%0.72766%0.659SS**  trans27142.6132.8-54.556.9000119.7
608S35.8Very low37.2Very low47 Ų47130 Ų13033%0.32966%0.661SS.*  cis-167.5108.4-2.1-86.90000112.4E461 S462E461-S608 WeakPolarHBondContact OE2-CB 3.35Å; E461-S608 PolarHBondContact OE2-OG 3.38Å; S462-S608 VanDerWaalsContact OG-CB 3.25Å; S462-S608 WeakPolarHBondContact OG-CB 3.41Å
609S35.2Very low36.4Very low80 Ų80132.8 Ų132.856%0.55966%0.66SS**  63.6159112.8-152.60000126E461E461-S609 WeakPolarHBondContact OE1-CB 3.45Å; E461-S609 PolarHBondContact OE1-OG 2.87Å; E461-S609 WeakPolarHBondContact OE2-CB 3.44Å
610T35.8Very low36.7Very low62 Ų62136.3 Ų136.338%0.3868%0.677SS.*  trans96.7143157.662.60000126.9A459 E461A459-T610 VanDerWaalsContact C-CG2 3.44Å; A459-T610 HydrophobicContact CB-CG2 3.73Å; A459-T610 VanDerWaalsContact O-CB 3.27Å; A459-T610 WeakPolarHBondContact O-CB 2.99Å; A459-T610 WeakPolarHBondContact O-CG2 3.08Å; E461-T610 HydrophobicContact CB-CG2 3.85Å; E461-T610 VanDerWaalsContact N-CG2 3.33Å; E461-T610 PolarHBondContact N-OG1 3.43Å; E461-T610 PolarHBondContact O-OG1 3.16Å; E461-T610 VanDerWaalsContact O-OG1 3.05Å
611H35.2Very low37Very low127 Ų127140.9 Ų140.959%0.58870%0.7SS**  trans42.6106164.9-128.1-52.2000120.9E458 A459E458-H611 PolarHBondContact O-CD2 2.79Å; A459-H611 WeakPolarHBondContact O-CB 3.4Å; A459-H611 PolarHBondContact O-CD2 2.74Å
612S37.5Very low37.1Very low85 Ų85142.2 Ų142.259%0.59471%0.712SS**  179.7146.9117.7-1640000114
613Q42.3Very low37.2Very low178 Ų178149 Ų14983%0.83273%0.729SS**  trans60.5105.3155.3-77.2159-78.200120.1N615Q613-N615 PolarHBondContact O-N 2.87Å
614W31.1Very low37.2Very low229 Ų229144.3 Ų144.387%0.86773%0.726SS**  trans-55.1131.1152.4-70.411.6000112.2
615N36.4Very low37.2Very low150 Ų150145.2 Ų145.280%0.80273%0.732SS**  trans-164.4161.3137-99.7-40.4000108.4Q613Q613-N615 PolarHBondContact O-N 2.87Å
616N37.1Very low37.3Very low146 Ų146147.2 Ų147.278%0.78173%0.731SS**  trans74.575.2173.1-46.1-33.7000117.3P618N616-P618 WeakPolarHBondContact O-CD 3.46Å
617T39.1Very low37.2Very low144 Ų144143 Ų14388%0.88373%0.731SS**  trans-107.679.8141.827.50000110.4
618P41.9Very low37.2Very low105 Ų105143.5 Ų143.568%0.68273%0.734SS**  trans-72.5172.7159.234.9-35.1000110.8N616N616-P618 WeakPolarHBondContact O-CD 3.46Å
619Y27.8Very low37.3Very low222 Ų222145.8 Ų145.887%0.87175%0.75SS**  trans-75.3-166.9-179-71-107.4000112.3
620E41.8Very low37.5Very low168 Ų168149.6 Ų149.679%0.78576%0.759SS**  trans85.653.7-179.8-49.6-59.1163.300117.1
621L42.3Very low37.4Very low180 Ų180153.5 Ų153.594%0.94278%0.777SS**  trans-125.369.5146.5-80.7-178.2000111
622L40Very low37.3Very low145 Ų145155.1 Ų155.176%0.75979%0.789SS**  trans-118.9157.3160.2-80.2167.7000109.2
623Y38.6Very low37.2Very low214 Ų214156.1 Ų156.184%0.83980%0.802SS**  trans70.883.7176.8-67-81.1000119.2
624S35.8Very low36.9Very low97 Ų97152.9 Ų152.968%0.67880%0.799SS**  63.9123.8111.9-1680000121.2
625Q36Very low37.1Very low194 Ų194152.5 Ų152.591%0.90780%0.798SS**  -161.7146.6113.2-107.5173.619.100114.3
626K37.9Very low37.3Very low163 Ų163149.1 Ų149.171%0.70979%0.786SS**  trans-82.2166.1-179-59179.1174.3-179.90111.6
627P38.5Very low37.3Very low130 Ų130150.3 Ų150.384%0.84479%0.787SS**  -149.1159.191.138.3-21000117.3
628N35.3Very low37.4Very low148 Ų148147.5 Ų147.579%0.79177%0.773SS**  trans-72.6156.2177.9-78.6-29.2000115
629S38.4Very low37.4Very low94 Ų94149.3 Ų149.366%0.65778%0.775SS**  155.7154.497.9650000117.7
630Q38.4Very low37.9Very low160 Ų160144.4 Ų144.475%0.74877%0.769SS**  trans86.1103147.7-74.5164.998.900123.9
631L34.5Very low37.6Very low144 Ų144142.7 Ų142.775%0.75476%0.761SS**  78.2103.5120.1-65.3172.6000123.4
632L33.4Very low37.5Very low162 Ų162140.1 Ų140.185%0.84874%0.744SS**  21.3126.5120.9-78.2163.9000121.1
633A35Very low37.3Very low105 Ų105141.3 Ų141.387%0.86874%0.743SS**  trans-155.9125.6144.400000112.6
634S36.2Very low37.4Very low110 Ų110137.9 Ų137.977%0.76974%0.738SS**  trans-87.3169.5-176.3-10.80000113.9
635R35.8Very low37.5Very low222 Ų222139.6 Ų139.684%0.83874%0.74SS**  trans-179.3129.4138.9-108.517688.7164.812118.4
636S38.9Very low37.7Very low78 Ų78137.3 Ų137.355%0.54573%0.734SS.*  trans47.2151.4131.856.50000121.7
637E38.8Very low37.7Very low171 Ų171135.9 Ų135.980%0.79973%0.734SS**  cis-173.3163.43.5-107.3167.2-91.600106.5
638S39.4Very low37.7Very low86 Ų86139.9 Ų139.960%0.60173%0.732SS**  cis-170.4141.6-1.456.60000112.8
639I43.7Very low37.8Very low142 Ų142138.5 Ų138.573%0.72872%0.723SS**  69.6165.7129.1-142.7165.2000123.1
640T36.5Very low37.7Very low120 Ų120141.3 Ų141.374%0.73673%0.728SS**  trans93141.2178.571.90000116.8
641Q37.1Very low37.4Very low132 Ų132139.4 Ų139.462%0.61773%0.727SS**  cis-173.3160.2-26.7-89.5-31.864.400105.5
642E39.1Very low37.5Very low126 Ų126138 Ų13859%0.58973%0.73SS**  cis-164.5139.1-1.3-116.4172.1-138.900111.1
643F36.9Very low37.3Very low169 Ų169138 Ų13874%0.74173%0.731SS**  trans65.1157.8149.9-62.8-47.9000121.2
644I40.1Very low37.7Very low143 Ų143138 Ų13873%0.73372%0.721SS**  cis-147.9162.73.1-131.4157000111.8
645D37.7Very low37.7Very low133 Ų133141.3 Ų141.371%0.71172%0.724SS**  trans-68.7156.9179.4-36.3-107.4000114.8
646D39.5Very low37.6Very low146 Ų146137 Ų13778%0.78172%0.718SS**  -166.8128.8117.1-120.4-30.6000115.7
647N39.5Very low37.7Very low132 Ų132140 Ų14071%0.70673%0.733SS**  trans-4.3150153.1-62.7-91.1000120.7
648R37.7Very low37.7Very low214 Ų214136.2 Ų136.281%0.80873%0.725SS**  15699.792-163.4156.3-161.6-114.80.6119.1
649I37.5Very low38.2Very low119 Ų119136.7 Ų136.761%0.6173%0.729SS**  67.6138.1128.4-66178.7000122.5
650M36.9Very low38.1Very low154 Ų154137.7 Ų137.776%0.75973%0.73SS**  trans65.6123.2164.1-70.1-5.9168.100117.6
651T31.1Very low38.3Very low119 Ų119137.3 Ų137.373%0.7372%0.724SS**  65.399.455.674.70000116.1
652S36.6Very low38.4Very low115 Ų115136.9 Ų136.980%0.80473%0.73SS**  trans175.3124.7135.657.70000114.8
653N30.2Very low38.4Very low163 Ų163136.4 Ų136.487%0.87274%0.736SS**  trans38.7154.2139.9-96.223.7000124.6
654P43.6Very low38.5Very low103 Ų103135.5 Ų135.567%0.66974%0.738SS**  trans-93.8168-173.639.4-37.9000114.8
655H34.1Very low38.4Very low180 Ų180135.5 Ų135.583%0.83374%0.739SS**  trans-171.8125.9137.8-108.3-61000115.3
656N34.1Very low38.6Very low133 Ų133133.3 Ų133.371%0.71173%0.733SS**  53109.6127.5-177.724.2000121.8
657V40.6Very low38.5Very low141 Ų141134.1 Ų134.186%0.85573%0.732SS**  trans-163.7147.2133.5-96.30000108.4
658S40.7Very low38.4Very low91 Ų91136 Ų13664%0.63674%0.737SS**  cis-165.5134.6-7-177.80000111.8
659S48.5Very low38.4Very low96 Ų96130.5 Ų130.567%0.67173%0.729SS**  trans68.6148.7152.4-590000120.2
660Q41.7Very low38.1Very low162 Ų162130.9 Ų130.976%0.75774%0.737SS**  cis-174.6155.3-14.9-108-166.3-76.200107.8
661D40.2Very low37.8Very low113 Ų113131.8 Ų131.860%0.60474%0.74SS**  cis-166.2138.8-12-142.7-20.1000110.7
662T40.3Very low38.1Very low122 Ų122131.1 Ų131.175%0.74874%0.737SS**  trans65.5155.4163.774.80000118.7
663V39.7Very low37.7Very low117 Ų117131.8 Ų131.871%0.70974%0.737SS**  cis-144.1131.719177.80000112.4
664L37.5Very low37.9Very low149 Ų149129.3 Ų129.378%0.7873%0.732SS**  trans17.1152.8140.8-40.3172000121.4
665L39.4Very low37.6Very low144 Ų144132.3 Ų132.375%0.75474%0.737SS**  cis-172132.930.2-166.768.2000115.6
666S41.9Very low37.7Very low86 Ų86130.1 Ų130.160%0.60173%0.731SS**  trans63.2158.9153.8-64.50000121.1
667Q36.9Very low37.8Very low163 Ų163130.6 Ų130.676%0.76273%0.733SS**  cis-162.7134.6-14.2-102.4158.842.100106.5
668E36.8Very low37.8Very low173 Ų173128.5 Ų128.581%0.80872%0.722SS**  58.3151.379.5-89.8-151.5105.100117.2
669P39.1Very low37.6Very low98 Ų98131 Ų13164%0.63673%0.734SS**  cis-145.4156.3-3438.9-19.9000117.9
670T30.2Very low36.9Very low127 Ų127132.7 Ų132.778%0.77973%0.734SS**  trans5.8158.6138.2-23.20000124.5
671Q31Very low36.7Very low173 Ų173132.9 Ų132.981%0.80874%0.739SS**  trans97.6158.8150-67.7-156.92.900121.3
672P37.3Very low36.2Very low104 Ų104134.3 Ų134.368%0.67575%0.745SS**  cis-145.6176.2-41.442.5-25.1000117.3
673T28.2Very low36Very low130 Ų130133.2 Ų133.280%0.79874%0.742SS**  trans-17.6166.3163.656.90000125.1
674S34.9Very low36.1Very low111 Ų111135.6 Ų135.678%0.77675%0.746SS**  trans90.4147.9161.180.90000117.5
675Q36.3Very low36.1Very low166 Ų166138 Ų13878%0.77675%0.753SS**  cis-158.1136.911-148.9-178.18.700114
676L35.6Very low35.8Very low134 Ų134135.2 Ų135.270%0.70274%0.742SS**  trans60.6117145.9-80.4171.4000124.6
677D36.1Very low35.9Very low142 Ų142137.7 Ų137.776%0.75975%0.748SS**  80.5155.9122.2-10412.7000122.8
678P42.3Very low36.2Very low97 Ų97134.8 Ų134.863%0.6375%0.746SS**  -134175.3-106.439.1-20.5000115.6
679T36.3Very low36.8Very low143 Ų143130 Ų13088%0.87773%0.732SS**  trans-151.1132.2160.1-69.20000109.8
680I34.3Very low37.2Very low133 Ų133129.8 Ų129.868%0.68273%0.725SS**  trans-97.3130.3-167.4-61.8165.5000111.3I682I680-I682 HydrophobicContact CG2-CD1 3.82Å; I680-I682 HydrophobicContact CG2-CG1 3.51Å
681I36.6Very low38.1Very low165 Ų165130.4 Ų130.485%0.84672%0.719SS**  trans-137.8136.1149-59.8-176.1000106.3
682I29.5Very low39.3Very low144 Ų144126 Ų12674%0.73871%0.708SS**  trans-119.9131.1-169.4-51.5171.4000109.6I680I680-I682 HydrophobicContact CG2-CD1 3.82Å; I680-I682 HydrophobicContact CG2-CG1 3.51Å
683S37Very low40.2Very low99 Ų99127 Ų12769%0.69270%0.703SS**  trans-165.1138.3169.9-48.20000107.6
684E42Very low42.1Very low166 Ų166124.3 Ų124.378%0.77669%0.686SS**  cis-165.388.1-12.2-129.2168.6-154.500108T686E684-T686 PolarHBondContact O-N 3.45Å
685E36.3Very low43.5Very low199 Ų199124.1 Ų124.193%0.9368%0.676SS**  trans-99.675.4-171.8-69.3-177.316900112.8
686T34.1Very low44.7Very low87 Ų87122.5 Ų122.553%0.53467%0.668SS.*  trans-143.269.5179.359.10000113.6E684E684-T686 PolarHBondContact O-N 3.45Å
687N42.8Very low46.3Very low137 Ų137122.6 Ų122.673%0.73366%0.663SS**SBendtrans-125.1-18.2178.9-78-61.9000116.4
688S44Very low47.8Very low103 Ų103119.4 Ų119.472%0.7265%0.646SS**SBendtrans-83.9-54.9174.450.90000112.5L690 Q691S688-L690 VanDerWaalsContact C-N 3.32Å; S688-L690 PolarHBondContact O-N 2.89Å; S688-Q691 PolarHBondContact O-N 2.97Å; S688-Q691 VanDerWaalsContact O-N 3.13Å
689S49.8Very low48.4Very low72 Ų72121.1 Ų121.150%0.50365%0.645SS.*Hα-helixtrans-58.7-37.8-175.2-173.90000113.5Q691 S692 Q693S689-Q691 VanDerWaalsContact C-N 3.33Å; S689-Q691 PolarHBondContact O-N 2.88Å; S689-S692 PolarHBondContact O-N 2.98Å; S689-Q693 PolarHBondContact O-N 3.24Å
690L46.1Very low49.6Very low94 Ų94122.9 Ų122.949%0.49264%0.636SS.*Hα-helixtrans-64.5-33.6178.7-77.9176.1000113.1S688 V694S688-L690 VanDerWaalsContact C-N 3.32Å; S688-L690 PolarHBondContact O-N 2.89Å; L690-V694 WeakPolarHBondContact O-CB 3.47Å; L690-V694 VanDerWaalsContact O-CG2 3.24Å; L690-V694 WeakPolarHBondContact O-CG2 3.23Å; L690-V694 PolarHBondContact O-N 3.07Å
691Q49.5Very low50.6Low140 Ų140121.9 Ų121.965%0.65463%0.628SS**Hα-helixtrans-71.3-38.1178.9-162.9170.815.200111.3S688 S689 L695S688-Q691 PolarHBondContact O-N 2.97Å; S688-Q691 VanDerWaalsContact O-N 3.13Å; S689-Q691 VanDerWaalsContact C-N 3.33Å; S689-Q691 PolarHBondContact O-N 2.88Å; Q691-L695 WeakPolarHBondContact O-CB 3.41Å; Q691-L695 WeakPolarHBondContact O-CG 3.41Å; Q691-L695 PolarHBondContact O-N 3.35Å
692S56.8Low51.5Low81 Ų81120.5 Ų120.557%0.56662%0.622SS**Hα-helixtrans-64.7-47.7171.8-1730000111.7S689 V694 L695 H696S689-S692 PolarHBondContact O-N 2.98Å; S692-V694 PolarHBondContact O-N 3.02Å; S692-L695 PolarHBondContact O-N 3.05Å; S692-H696 WeakPolarHBondContact O-CB 3.11Å; S692-H696 PolarHBondContact O-N 3.5Å
693Q55.1Low52.4Low124 Ų124122.6 Ų122.658%0.57963%0.626SS**Hα-helixtrans-62.8-39.5176.1-75.6-163.117.500113S689 H696 K697S689-Q693 PolarHBondContact O-N 3.24Å; Q693-H696 PolarHBondContact O-N 3.14Å; Q693-K697 WeakPolarHBondContact O-CB 3.31Å; Q693-K697 PolarHBondContact O-N 2.83Å
694V68.7Low52.6Low74 Ų74121 Ų12145%0.44862%0.615SS.*Hα-helixtrans-66.6-42.2176.6167.70000110.9L690 S692 K697 N698L690-V694 WeakPolarHBondContact O-CB 3.47Å; L690-V694 VanDerWaalsContact O-CG2 3.24Å; L690-V694 WeakPolarHBondContact O-CG2 3.23Å; L690-V694 PolarHBondContact O-N 3.07Å; S692-V694 PolarHBondContact O-N 3.02Å; V694-K697 PolarHBondContact O-N 2.93Å; V694-N698 VanDerWaalsContact O-CB 3.28Å; V694-N698 WeakPolarHBondContact O-CB 3.47Å; V694-N698 PolarHBondContact O-N 2.94Å; V694-N698 PolarHBondContact O-ND2 3.43Å; V694-N698 PolarHBondContact O-OD1 3.43Å
695L65.1Low52.3Low107 Ų107122.3 Ų122.356%0.5662%0.621SS**Hα-helixtrans-62.5-46.6174.3-75.4170.5000111.9Q691 S692 K697 N698 H699Q691-L695 WeakPolarHBondContact O-CB 3.41Å; Q691-L695 WeakPolarHBondContact O-CG 3.41Å; Q691-L695 PolarHBondContact O-N 3.35Å; S692-L695 PolarHBondContact O-N 3.05Å; L695-K697 VanDerWaalsContact C-N 3.34Å; L695-K697 PolarHBondContact O-N 3.28Å; L695-N698 PolarHBondContact O-N 3.36Å; L695-H699 WeakPolarHBondContact O-CB 3.46Å; L695-H699 PolarHBondContact O-N 3.4Å
696H60.5Low52.3Low132 Ų132117.7 Ų117.761%0.61161%0.61SS**Hα-helixtrans-65.4-36.5178-164.3-23.8000112S692 Q693 R700S692-H696 WeakPolarHBondContact O-CB 3.11Å; S692-H696 PolarHBondContact O-N 3.5Å; Q693-H696 PolarHBondContact O-N 3.14Å; H696-R700 WeakPolarHBondContact O-CB 3.39Å; H696-R700 PolarHBondContact O-N 3.14Å
697K70.1Confident52.3Low135 Ų135119.7 Ų119.759%0.58762%0.622SS**Hα-helixtrans-72.1-38.7177.8-169.8172.4-175.3176.60112.1Q693 V694 L695 R700 Q701Q693-K697 WeakPolarHBondContact O-CB 3.31Å; Q693-K697 PolarHBondContact O-N 2.83Å; V694-K697 PolarHBondContact O-N 2.93Å; L695-K697 VanDerWaalsContact C-N 3.34Å; L695-K697 PolarHBondContact O-N 3.28Å; K697-R700 PolarHBondContact O-N 2.89Å; K697-Q701 WeakPolarHBondContact O-CB 3.38Å; K697-Q701 WeakPolarHBondContact O-CG 3.39Å; K697-Q701 PolarHBondContact O-N 2.89Å
698N67.7Low51.9Low75 Ų75118.8 Ų118.840%0.40163%0.627SS.*Hα-helixtrans-63.8-45.1171.5-68.7-8000110.8V694 L695 R700 Q701 L702V694-N698 VanDerWaalsContact O-CB 3.28Å; V694-N698 WeakPolarHBondContact O-CB 3.47Å; V694-N698 PolarHBondContact O-N 2.94Å; V694-N698 PolarHBondContact O-ND2 3.43Å; V694-N698 PolarHBondContact O-OD1 3.43Å; L695-N698 PolarHBondContact O-N 3.36Å; N698-R700 VanDerWaalsContact C-N 3.25Å; N698-R700 PolarHBondContact O-N 3.18Å; N698-Q701 PolarHBondContact O-N 2.89Å; N698-L702 WeakPolarHBondContact O-CB 3.3Å; N698-L702 WeakPolarHBondContact O-CG 3.42Å; N698-L702 PolarHBondContact O-N 3.49Å
699H55.2Low51.6Low134 Ų134119.4 Ų119.462%0.6262%0.622SS**Hα-helixtrans-59.1-34.8171.6-100.1-130.7000112.6L695 F703L695-H699 WeakPolarHBondContact O-CB 3.46Å; L695-H699 PolarHBondContact O-N 3.4Å; H699-F703 WeakPolarHBondContact O-CD2 3.48Å
700R60Low50.7Low179 Ų179125.9 Ų125.968%0.67564%0.644SS**Hα-helixtrans-71.9-46.9176.3-141.9168.8-170.5-95.74.4111.4H696 K697 N698 L702 F703 S704H696-R700 WeakPolarHBondContact O-CB 3.39Å; H696-R700 PolarHBondContact O-N 3.14Å; K697-R700 PolarHBondContact O-N 2.89Å; N698-R700 VanDerWaalsContact C-N 3.25Å; N698-R700 PolarHBondContact O-N 3.18Å; R700-L702 VanDerWaalsContact C-N 3.34Å; R700-L702 PolarHBondContact O-N 2.97Å; R700-F703 CarbonylContact O-C 3.57Å; R700-F703 PolarHBondContact O-N 2.9Å; R700-S704 WeakPolarHBondContact O-CB 3.31Å; R700-S704 PolarHBondContact O-N 3.21Å; R700-S704 PolarHBondContact O-OG 2.84Å
701Q56.7Low50.3Low113 Ų113126.8 Ų126.853%0.52866%0.658SS.*Hα-helixtrans-62-37.8179.7-74.3179.3-58.900112.8K697 N698 F703 S704K697-Q701 WeakPolarHBondContact O-CB 3.38Å; K697-Q701 WeakPolarHBondContact O-CG 3.39Å; K697-Q701 PolarHBondContact O-N 2.89Å; N698-Q701 PolarHBondContact O-N 2.89Å; Q701-F703 PolarHBondContact O-N 2.74Å; Q701-S704 PolarHBondContact O-N 3.42Å
702L54.5Low49.7Very low135 Ų135123.9 Ų123.971%0.70767%0.667SS**THydrogen-bonded Turntrans-61.3-12.1173.6-73.4169.5000114.5N698 R700N698-L702 WeakPolarHBondContact O-CB 3.3Å; N698-L702 WeakPolarHBondContact O-CG 3.42Å; N698-L702 PolarHBondContact O-N 3.49Å; R700-L702 VanDerWaalsContact C-N 3.34Å; R700-L702 PolarHBondContact O-N 2.97Å
703F48.4Very low48.6Very low189 Ų189128.1 Ų128.183%0.82968%0.682SS**THydrogen-bonded Turntrans-12710.2177-72.2-83.3000113.7H699 R700 Q701H699-F703 WeakPolarHBondContact O-CD2 3.48Å; R700-F703 CarbonylContact O-C 3.57Å; R700-F703 PolarHBondContact O-N 2.9Å; Q701-F703 PolarHBondContact O-N 2.74Å
704S40.4Very low47.5Very low65 Ų65131 Ų13146%0.45569%0.693SS.*  trans-144.563.3-176.476.90000113.8R700 Q701R700-S704 WeakPolarHBondContact O-CB 3.31Å; R700-S704 PolarHBondContact O-N 3.21Å; R700-S704 PolarHBondContact O-OG 2.84Å; Q701-S704 PolarHBondContact O-N 3.42Å
705E36.2Very low45.9Very low193 Ų193133 Ų13390%0.90271%0.705SS**  trans-133.788164.6-161150.9-120.800110.3
706S37Very low44.5Very low102 Ų102131.3 Ų131.371%0.71371%0.714SS**  trans-142.2127.1176.6440000111.1
707V32.9Very low43.3Very low129 Ų129131.8 Ų131.878%0.78272%0.719SS**  trans43.9103.2155.9-165.90000116.8
708S36.1Very low41.5Very low119 Ų119132.2 Ų132.283%0.83273%0.727SS**  trans-147125.9158-73.70000111.3
709D37.1Very low39.9Very low115 Ų115133.8 Ų133.862%0.61574%0.739SS**  trans-66.4155.7-152.2-61.3-89.3000119.4S711D709-S711 PolarHBondContact O-N 3.07Å
710Q30.8Very low39.1Very low208 Ų208136.2 Ų136.297%0.97275%0.748SS**  trans-74.185.4167.2-63.7-17610.400111.8
711S36.8Very low38Very low113 Ų113133.3 Ų133.379%0.7976%0.755SS**  trans-145.8123.3160.574.50000112.1D709D709-S711 PolarHBondContact O-N 3.07Å
712G38.8Very low36.7Very low80 Ų80134.4 Ų134.483%0.82577%0.765SS**  trans166.831.4-17200000118.3F714G712-F714 PolarHBondContact O-N 2.96Å
713L32.8Very low35.9Very low169 Ų169133.6 Ų133.689%0.88577%0.765SS**  trans-61.7124.8166.3-79.8163.9000109.8
714F32.7Very low35Very low185 Ų185132.7 Ų132.781%0.81176%0.763SS**  -177.2116.7125.8-116.3-116.5000115G712G712-F714 PolarHBondContact O-N 2.96Å
715T33.4Very low34.7Very low116 Ų116134.3 Ų134.371%0.71278%0.775SS**  trans45122.9140.764.20000122.6
716G36.8Very low34.7Very low71 Ų71129.6 Ų129.673%0.73276%0.763SS**  trans172.452.8164.700000117.3
717I34.4Very low34.3Very low142 Ų142132.2 Ų132.273%0.72877%0.769SS**  78.2111.697.8-66.9176.6000115.5
718L33.6Very low34.6Very low145 Ų145130.4 Ų130.476%0.75977%0.768SS**  trans68.7150.3164.1-91.452.8000117.1
719T34.5Very low34.4Very low107 Ų107131.8 Ų131.866%0.65677%0.766SS**  cis-149.6138.78-14.90000112.7
720K36.9Very low34.4Very low186 Ų186130.8 Ų130.881%0.80977%0.768SS**  trans26.3141.8135.4-57.9166.3-164.7169.30119.4
721S37Very low34.5Very low117 Ų117127.7 Ų127.782%0.81875%0.753SS**  cis-154.8150.637.753.10000115.4
722N29.5Very low34.7Very low136 Ų136127.4 Ų127.473%0.72775%0.747SS**  trans-106.8132.4176.5176.239.9000111.9
723V37.3Very low34.7Very low118 Ų118128.3 Ų128.372%0.71573%0.729SS**  trans-155.3119.9163.3-177.60000105
724E31.2Very low35.1Very low170 Ų170127.1 Ų127.179%0.79472%0.719SS**  cis80.355.630.3-153.4179.8-166.800115.8
725S34Very low35.6Very low100 Ų100122.9 Ų122.970%0.69970%0.702SS**  trans-178144.4159.654.30000109.5
726S35.7Very low35.8Very low94 Ų94124.6 Ų124.666%0.65771%0.706SS**  cis159.8130.2-17.551.60000105.5
727N28.8Very low35.6Very low157 Ų157128.2 Ų128.284%0.8470%0.698SS**  trans61.4160.5158.2-55.7-19.8000119.6
728A37.9Very low36.1Very low90 Ų90129.8 Ų129.874%0.74470%0.702SS**  trans66.2141.3166.900000116.6
729D32Very low36.5Very low149 Ų149128.5 Ų128.580%0.79770%0.696SS**  cis162.5158.8-21-105.1-47.5000104.3
730S36.7Very low36.4Very low93 Ų93129 Ų12965%0.6569%0.693SS**  trans69.5122.6173.6-65.80000116.8
731Q34.7Very low36.1Very low143 Ų143130 Ų13067%0.66870%0.699SS**  73.313150.9-165.8178.2800109.5H733Q731-H733 PolarHBondContact NE2-NE2 2.99Å
732V40.6Very low36Very low108 Ų108128.1 Ų128.166%0.65570%0.697SS**  -161.2119.182.4152.50000110.8
733H38.6Very low36.2Very low98 Ų98125.2 Ų125.245%0.45470%0.7SS.*  trans42.3168137.2-55.4-95.3000120.3Q731 E735Q731-H733 PolarHBondContact NE2-NE2 2.99Å; H733-E735 IonicContact CE1-OE2 2.89Å; H733-E735 PolarHBondContact CE1-OE2 3.33Å; H733-E735 VanDerWaalsContact CE1-OE2 3.27Å; H733-E735 IonicContact ND1-OE2 2.74Å; H733-E735 PolarHBondContact ND1-OE2 3.32Å
734H41.1Very low35.7Very low145 Ų145124.9 Ų124.967%0.67170%0.702SS**  cis-140128.913.4-59.7-100.2000108.7
735E43.1Very low35.8Very low96 Ų96124 Ų12445%0.44970%0.702SS.*  55.896.958.2-65.3-156.4101.700115.8H733 R737H733-E735 IonicContact CE1-OE2 2.89Å; H733-E735 PolarHBondContact CE1-OE2 3.33Å; H733-E735 VanDerWaalsContact CE1-OE2 3.27Å; H733-E735 IonicContact ND1-OE2 2.74Å; H733-E735 PolarHBondContact ND1-OE2 3.32Å; E735-R737 HydrophobicContact CB-CG 4.47Å; E735-R737 IonicContact OE1-CZ 3.79Å; E735-R737 IonicContact OE1-NE 3.51Å; E735-R737 PolarHBondContact OE1-NE 3.36Å; E735-R737 IonicContact OE1-NH2 3.42Å; E735-R737 PolarHBondContact OE1-NH2 2.84Å; E735-R737 IonicContact OE2-CZ 3.49Å; E735-R737 IonicContact OE2-NE 2.74Å; E735-R737 IonicContact OE2-NH2 2.62Å; E735-R737 PolarHBondContact OE2-NH2 3.01Å
736N38.2Very low35.6Very low152 Ų152124.2 Ų124.281%0.81370%0.702SS**  trans-155.773.7157-152.144.4000111.8
737R32.6Very low35.6Very low147 Ų147126.8 Ų126.856%0.55571%0.709SS**  53.787.177.2-60.8-175.9174.4-174.71.4115.3E735E735-R737 HydrophobicContact CB-CG 4.47Å; E735-R737 IonicContact OE1-CZ 3.79Å; E735-R737 IonicContact OE1-NE 3.51Å; E735-R737 PolarHBondContact OE1-NE 3.36Å; E735-R737 IonicContact OE1-NH2 3.42Å; E735-R737 PolarHBondContact OE1-NH2 2.84Å; E735-R737 IonicContact OE2-CZ 3.49Å; E735-R737 IonicContact OE2-NE 2.74Å; E735-R737 IonicContact OE2-NH2 2.62Å; E735-R737 PolarHBondContact OE2-NH2 3.01Å
738H44.3Very low36.1Very low175 Ų175125.9 Ų125.981%0.8170%0.7SS**SBendtrans-119.3136.2135.5-84.7-76.3000107.3
739N42.3Very low35.6Very low118 Ų118127.6 Ų127.663%0.63171%0.706SS**  cis-151.4135.3-24.1-110-19.4000105.5
740L31.7Very low35.3Very low116 Ų116127.3 Ų127.361%0.60770%0.7SS**  59.3130.770.5-117.179.1000114.4
741F31.3Very low35Very low209 Ų209126.8 Ų126.892%0.91770%0.701SS**  trans70.1146.7-171-67.3-106.6000115.1
742G35Very low34.6Very low77 Ų77125.7 Ų125.779%0.79470%0.704SS**  cis162.4118.6-7.900000113.3
743G33Very low33.9Very low75 Ų75127.8 Ų127.877%0.77371%0.708SS**  trans144.5111.4-173.200000109.6
744S28Very low33.5Very low110 Ų110129.4 Ų129.477%0.76972%0.721SS**  cis76.956.714.5-172.60000116.8
745L33.4Very low33Very low152 Ų152126.6 Ų126.680%0.79672%0.717SS**  trans-156.4133134.1-124.561.6000105.5
746C29.5Very low32.6Very low104 Ų104127.4 Ų127.470%0.70373%0.729SS**  cis68.5139.843.1-57.20000113.3
747D35.3Very low32.4Very low149 Ų149125.8 Ų125.880%0.79772%0.724SS**  trans73.298.5-164.8-54.5-1.4000111.9
748E40Very low32.6Very low138 Ų138123.4 Ų123.465%0.64573%0.726SS**  cis44.769.630.1-159.6178.5164.800113Q750E748-Q750 PolarHBondContact O-N 3.3Å; E748-Q750 PolarHBondContact OE1-NE2 2.83Å
749S27Very low32.4Very low125 Ų125123.8 Ų123.887%0.87473%0.725SS**  trans-61.5111.4138.4-72.90000107.3
750Q25.6Very low32.1Very low144 Ų144122.3 Ų122.367%0.67372%0.724SS**  trans-52.6135.4-168.7-156.8116.579.200112.6E748E748-Q750 PolarHBondContact O-N 3.3Å; E748-Q750 PolarHBondContact OE1-NE2 2.83Å
751A29.7Very low32.3Very low81 Ų81125.5 Ų125.567%0.66973%0.734SS**SBendtrans-60.9147.5155.300000108.8
752V26.6Very low32.9Very low120 Ų120121.4 Ų121.473%0.72772%0.721SS**  trans68.795.4-168.1-164.10000110.4
753M26.6Very low33.3Very low152 Ų152124.9 Ų124.975%0.74972%0.717SS**  -155.215279.7-92-63.1-161.800113.3
754D28.4Very low33.9Very low133 Ų133126.9 Ų126.971%0.71171%0.709SS**  trans21.3134138.1-74.8-28.7000120.4
755S31Very low34.6Very low86 Ų86128.3 Ų128.360%0.60171%0.709SS**  cis175.2166.9-1.8-1200000108.3
756V34.6Very low34.9Very low113 Ų113128.5 Ų128.569%0.68571%0.71SS**  trans57.6103.8138.7173.90000117.8
757T35.5Very low35.6Very low118 Ų118132 Ų13272%0.72472%0.721SS**  trans77154.3138.971.40000119
758T36.6Very low35.7Very low96 Ų96131.9 Ų131.959%0.58972%0.72SS**  cis-164160.7-5.5150000111.4
759K38.9Very low35.7Very low184 Ų184130.3 Ų130.380%0.872%0.724SS**  trans70.6150.4144-75.4160.3-167.91700116.5
760S35.5Very low36Very low86 Ų86133 Ų13360%0.60172%0.723SS**  cis-173.3141.3-640.50000111.1
761F37.2Very low36.3Very low184 Ų184132.5 Ų132.581%0.80773%0.729SS**  trans67.4162.5149.3-67.2-151.1000113.9
762D42.8Very low36.4Very low122 Ų122139 Ų13965%0.65274%0.736SS**  cis-165.6167.5-21-90.8-10.2000104.5
763E45.1Very low36.5Very low151 Ų151138.6 Ų138.671%0.70673%0.726SS**  cis-161146.310.4-130.1-177106.500107.3
764N44.7Very low36.7Very low116 Ų116137.2 Ų137.262%0.6272%0.722SS**  trans68.5156.6150.4-52-16.6000120
765D43.8Very low37.1Very low141 Ų141138 Ų13875%0.75473%0.726SS**  cis-159.9163.4-14.8-98.7-17.5000109.6
766D39.4Very low37Very low155 Ų155143.3 Ų143.383%0.82973%0.733SS**  trans-86.4150.9-167.4-46.5-76.7000117.4
767I42.4Very low36.9Very low179 Ų179141.8 Ų141.892%0.91873%0.726SS**  trans-140.2134.7149.5-57.2-177.3000108.3
768D39.4Very low36.7Very low146 Ų146143 Ų14378%0.78173%0.728SS**  trans-115.3172.9-163.5-174.724.5000113.4
769S38Very low36.5Very low104 Ų104144.9 Ų144.973%0.72773%0.734SS**  trans112.659.6168.6-47.70000117.4
770Q34.1Very low36.2Very low183 Ų183145.9 Ų145.986%0.85574%0.739SS**SBendtrans-141.3120.3139.4-79.9-156.86.100112.1
771V32Very low36.1Very low132 Ų132145.3 Ų145.380%0.875%0.746SS**  trans31.892.5151.6-165.20000117.8
772R30.9Very low35.9Very low217 Ų217140 Ų14082%0.81974%0.743SS**  176.7140.6126.7-96.5171.2-172.4-101.7-0.2112.7
773H30.1Very low35.3Very low112 Ų112139.6 Ų139.652%0.51975%0.75SS.*  trans34.6140.2151.1-73.4-81.8000123.9
774N31.3Very low34.8Very low123 Ų123139.6 Ų139.666%0.65875%0.754SS**  trans69.973.5139.8-61.7-15.9000119.4R776N774-R776 VanDerWaalsContact O-CD 3.3Å; N774-R776 WeakPolarHBondContact O-CD 3.33Å; N774-R776 WeakPolarHBondContact O-CG 3.24Å
775D35.2Very low34.3Very low150 Ų150138.2 Ų138.280%0.80275%0.753SS**  -98.6119.9120.3-96.2-34.8000107.3
776R30.4Very low33.8Very low198 Ų198138 Ų13875%0.74775%0.752SS**  60.3145.551-44.2165.678.2-179.97.1109.8N774N774-R776 VanDerWaalsContact O-CD 3.3Å; N774-R776 WeakPolarHBondContact O-CD 3.33Å; N774-R776 WeakPolarHBondContact O-CG 3.24Å
777C31.3Very low33.5Very low81 Ų81138 Ų13855%0.54775%0.747SS.*  cis-166.7143.624.3-149.90000110.2
778N30.6Very low33.2Very low142 Ų142134.2 Ų134.276%0.75974%0.736SS**  trans69.9171.5164.9-40-61.3000115.2
779L34.4Very low32.9Very low137 Ų137133.4 Ų133.472%0.71773%0.728SS**  cis-153.3131.112-172.263.6000112.7
780F31.5Very low32.8Very low204 Ų204135.3 Ų135.390%0.89573%0.725SS**  trans64.9156.6169.5-80.2-145.2000116.2
781G32.6Very low32.9Very low74 Ų74133 Ų13376%0.76372%0.718SS**  cis153.8133.1-7.400000113.3
782G34.1Very low33.2Very low72 Ų72131.9 Ų131.974%0.74271%0.711SS**  trans110.6126.3-168.400000109.5
783S30.1Very low33.5Very low114 Ų114128.5 Ų128.580%0.79771%0.709SS**  cis61.7130.333.6-137.60000111.3
784I35.1Very low33.9Very low152 Ų152126.4 Ų126.478%0.77972%0.718SS**  cis-145127.635.69.3177000109.4
785S32.8Very low34.2Very low86 Ų86126.3 Ų126.360%0.60172%0.722SS**  61.911493.9-172.30000116.4
786N33.6Very low34.2Very low137 Ų137123.3 Ų123.373%0.73372%0.719SS**  -169.8121.2111.7-80.1-31000107.9
787Q33Very low34.9Very low154 Ų154122.7 Ų122.772%0.7272%0.721SS**  66.2114.872.8-170.7173.394.200110.4
788S35.7Very low35.1Very low100 Ų100123.5 Ų123.570%0.69973%0.728SS**  cis-121.5152.345.2-74.30000114.3
789Q33.9Very low35.5Very low130 Ų130123.7 Ų123.761%0.60773%0.727SS**  57.3138.365.4-59.1176.4-71.700112.4
790E36Very low35.7Very low143 Ų143123.3 Ų123.367%0.66873%0.731SS**  cis-166.81722.6-126.1162.958.600107.5
791L36.7Very low35.8Very low134 Ų134117.1 Ų117.170%0.70272%0.724SS**  cis-149.2133.316.7-104.2172.7000107.2
792V38.4Very low35.9Very low109 Ų109116.6 Ų116.666%0.66172%0.719SS**  80.9128.5100.9139.40000118.9
793D35.8Very low35.8Very low146 Ų146124.3 Ų124.378%0.78173%0.727SS**  trans33.4123151-43.3-16.7000119.8
794G39.4Very low36Very low68 Ų68124.9 Ų124.970%0.70173%0.726SS**  cis123.4-168.23400000110.4
795T37.3Very low36Very low121 Ų121122.7 Ų122.774%0.74272%0.72SS**  trans65.179.4175.8-38.40000114.8
796A34.9Very low36.1Very low88 Ų88126 Ų12673%0.72773%0.73SS**  53.2100.574.500000115.5
797K45.1Very low36.1Very low185 Ų185125 Ų12580%0.80473%0.734SS**  trans-160.7128.9132.8-95.8129.2-160163.60108.1
798S36.1Very low36.2Very low97 Ų97125.8 Ų125.868%0.67874%0.738SS**  71121.774.2-149.70000109.5
799I39.5Very low36Very low146 Ų146125.8 Ų125.875%0.74973%0.734SS**  cis-151.9154.639.6-130137.3000113.4
800T37.8Very low35.8Very low130 Ų130125.9 Ų125.980%0.79874%0.739SS**  trans0.8146.4144.2-310000119.1
801G34.7Very low35.6Very low73 Ų73126 Ų12675%0.75374%0.739SS**  cis137.9156.51.400000112.6
802G34.9Very low35.5Very low64 Ų64125.2 Ų125.266%0.6674%0.735SS**  trans106.8136.9-17300000111.7
803Y32.1Very low35.2Very low233 Ų233125.1 Ų125.191%0.91473%0.731SS**  cis59.1134.225.5-56.5-95.4000113.5
804V32.9Very low35Very low126 Ų126125.9 Ų125.976%0.76473%0.73SS**  cis-144.6-1747.890.30000112.2
805T35Very low34.6Very low106 Ų106132.9 Ų132.965%0.6574%0.735SS**  trans-61161.2-178.8530000115.5
806D34.4Very low34.3Very low155 Ų155132.5 Ų132.583%0.82973%0.727SS**  -178.8162.4110.2-88.7-0.3000112.1
807S34.9Very low34.2Very low117 Ų117134.3 Ų134.382%0.81872%0.724SS**  trans-95.4167.4-165-68.40000115.5
808Q35.1Very low33.6Very low171 Ų171134.8 Ų134.880%0.79973%0.727SS**  trans92.2148.4141.8-138.7-170.767.200119.7
809T31.1Very low33.6Very low99 Ų99134 Ų13461%0.60773%0.734SS**  trans78.9101.6164.472.20000119.2
810N29.3Very low33.4Very low132 Ų132130.3 Ų130.371%0.70673%0.731SS**  89.5143.9115.9-93.4-20.5000123.1
811H32.3Very low33.3Very low145 Ų145129.4 Ų129.467%0.67173%0.731SS**  trans71.1120.8144.6-78.5-61.1000120.5
812D33.6Very low33.6Very low118 Ų118133.4 Ų133.463%0.63173%0.733SS**  103.1111.4122.8-8120.5000120.8
813N32.7Very low33.8Very low108 Ų108134.5 Ų134.558%0.57873%0.731SS**  82.288.5124.2-65.8-28.1000119.7
814H32.1Very low34.3Very low161 Ų161129.3 Ų129.375%0.74572%0.723SS**  74.8162.6122.7-63.2-55.9000118.6
815R30Very low34.7Very low215 Ų215131 Ų13181%0.81172%0.723SS**  trans69.9132.4155.5-82.5175.377.2-120.15.6113
816I32.4Very low34.8Very low113 Ų113130.4 Ų130.458%0.57972%0.723SS**  cis-152.8124.439.4-76.2-168.6000112
817L31.6Very low35.1Very low126 Ų126131.4 Ų131.466%0.6672%0.723SS**  trans43.5148.7133.3-48.1174.9000123.6
818F32.2Very low35.1Very low196 Ų196128.8 Ų128.886%0.8671%0.708SS**  trans78.5134.4159.2-47.3-67.8000117.5
819G36.4Very low35.2Very low80 Ų80129.2 Ų129.283%0.82571%0.708SS**  cis154.2151.4-11.400000115.3
820G35.8Very low35.8Very low68 Ų68131.3 Ų131.370%0.70171%0.713SS**  trans103.7116.7174.300000113
821S36.3Very low36.4Very low112 Ų112131 Ų13178%0.78371%0.71SS**  67.7120.167.276.30000112
822I39.7Very low36.9Very low157 Ų157131.9 Ų131.981%0.80572%0.719SS**  -168.6162.265.743.7169.2000109.9
823S40.5Very low37.2Very low87 Ų87131.2 Ų131.261%0.60873%0.731SS**  cis-172.3169.3-12.351.70000111.2
824T41.5Very low37.8Very low123 Ų123129 Ų12976%0.75573%0.733SS**  trans67.7141.3154.944.50000119.2
825Q41.7Very low38.4Very low162 Ų162128.4 Ų128.476%0.75774%0.735SS**  cis-170.4126-4.4162.6171.223.900113.7
826S38.1Very low39Very low93 Ų93124.2 Ų124.265%0.6573%0.729SS**  trans57.2161148.8-650000120
827Q39.5Very low39.6Very low176 Ų176125.1 Ų125.182%0.82274%0.735SS**  cis-165.9164.4-1.4-114.3158.62.500106
828A35.1Very low40.3Very low63 Ų63126.6 Ų126.652%0.52174%0.744SS.*  cis175.2166.7-27.300000107.6
829F36.5Very low40.6Very low179 Ų179123.9 Ų123.979%0.78574%0.737SS**  trans73.2154.5173.4-45.7-69.1000115.9
830M44.6Very low40.8Very low144 Ų144126.3 Ų126.371%0.70973%0.732SS**  cis-174153.9-14.4-99.8169.7148.600105.3
831D42.1Very low41.1Very low124 Ų124127.4 Ų127.466%0.66373%0.728SS**  cis-165.9175.5-9.4-102.3-1.1000107.7
832L42.8Very low41Very low164 Ų164130.4 Ų130.486%0.85973%0.73SS**  trans77.8114.9174.8-42.7179.6000115.3
833A39.7Very low40.9Very low105 Ų105130.6 Ų130.687%0.86873%0.731SS**  cis93.7131.32200000115.9
834G44.4Very low40.7Very low61 Ų61132.9 Ų132.963%0.62973%0.732SS**  trans120.485.1-163.200000109.5
835D46.7Very low40.3Very low148 Ų148134.4 Ų134.479%0.79173%0.73SS**  73.6116.375.6-62.518.4000110.4
836N41.1Very low40Very low127 Ų127135.3 Ų135.368%0.67973%0.734SS**  cis-151.9170.32.7-76.9-41.7000110.2
837D46Very low40Very low133 Ų133140.8 Ų140.871%0.71175%0.747SS**  trans30.6132.4145.9-43-28.4000119.4
838D44.6Very low39.6Very low156 Ų156141.8 Ų141.883%0.83475%0.751SS**  cis-136.1172.840-94.1-52.2000116
839L40.1Very low39.6Very low139 Ų139141.8 Ų141.873%0.72876%0.757SS**  trans-81.9162.6172.1-63.9100.4000110.5
840D40.7Very low39.6Very low132 Ų132141 Ų14171%0.70676%0.761SS**  cis-147.8153.929.6-137.7-24.6000116.7
841S41Very low39.3Very low90 Ų90142.3 Ų142.363%0.62977%0.77SS**  trans-12.7126.2154.1-44.90000116.2
842Q34.2Very low39Very low175 Ų175146.6 Ų146.682%0.81878%0.783SS**  cis62.959.346.5-156.8174.990.200115.2
843I37.4Very low38.5Very low161 Ų161143.8 Ų143.883%0.82678%0.777SS**  trans-118.2100.3148.8-65.6-179.2000105.6
844Q37.3Very low38.1Very low135 Ų135142.6 Ų142.663%0.63178%0.775SS**  74.49873.7-69.9-94.2-45.900113.4
845H31.8Very low37.6Very low156 Ų156144 Ų14472%0.72278%0.775SS**  trans69138.1144.6-72.3-92.4000121.9
846E35.5Very low37Very low180 Ų180144.9 Ų144.984%0.84178%0.778SS**  trans70.8109139.5-160.3160.2-125.700117.4
847K38.6Very low36.5Very low209 Ų209143.5 Ų143.591%0.90978%0.777SS**  trans175.610.5-149-47.9170.1-172.11760115.6
848H32.1Very low35.8Very low197 Ų197142.8 Ų142.891%0.91278%0.777SS**  trans-77.8131.6177.7-79-88.6000111.5
849G33.9Very low35.2Very low63 Ų63143.5 Ų143.565%0.64978%0.776SS**  trans99.3140.9153.800000117.4
850N36.4Very low34.8Very low163 Ų163141.3 Ų141.387%0.87277%0.772SS**  trans65.3107.1156.1-53.3-13.1000118.3
851L39.4Very low34.5Very low171 Ų171143.5 Ų143.590%0.89578%0.778SS**  trans-168.378.4140.6-109.7166.4000112.4
852F34.4Very low34.1Very low214 Ų214147.8 Ų147.894%0.93979%0.788SS**  trans-161.442.3147.2-122.3-72.3000113.4
853S33.7Very low34.2Very low104 Ų104143.8 Ų143.873%0.72778%0.78SS**  trans-88.4106.3164.7-170.40000109.6S855S853-S855 VanDerWaalsContact C-N 3.35Å; S853-S855 PolarHBondContact O-N 2.79Å; S853-S855 PolarHBondContact OG-OG 3.08Å
854G31.4Very low34Very low80 Ų80143.9 Ų143.983%0.82578%0.78SS**  trans-75.684.5169.500000110.4
855S33.5Very low33.8Very low90 Ų90144.8 Ų144.863%0.62979%0.789SS**  trans-125.1109.6173.4-61.50000110.6S853 C857S853-S855 VanDerWaalsContact C-N 3.35Å; S853-S855 PolarHBondContact O-N 2.79Å; S853-S855 PolarHBondContact OG-OG 3.08Å; S855-C857 PolarHBondContact O-N 3.31Å
856I34.4Very low34Very low168 Ų168145.7 Ų145.786%0.86279%0.794SS**  trans-7294.3173-63.4172.5000107.8V858I856-V858 HydrophobicContact CG2-CG2 4.19Å; I856-V858 PolarHBondContact O-N 2.9Å
857C29.2Very low33.7Very low97 Ų97142.5 Ų142.566%0.65579%0.786SS**  trans-89.690.1178.9-169.90000110.4S855 Q859S855-C857 PolarHBondContact O-N 3.31Å; C857-Q859 VanDerWaalsContact C-N 3.34Å; C857-Q859 PolarHBondContact O-N 2.93Å
858V32.8Very low33.6Very low118 Ų118142.3 Ų142.372%0.71579%0.786SS**  trans-74.689.4167.5-178.80000108.6I856 S860I856-V858 HydrophobicContact CG2-CG2 4.19Å; I856-V858 PolarHBondContact O-N 2.9Å; V858-S860 PolarHBondContact O-N 2.82Å; V858-S860 VanDerWaalsContact O-N 3.16Å
859Q32Very low33.5Very low172 Ų172139.6 Ų139.680%0.80478%0.778SS**  trans-79.490.9166.3-89.5-176.91.100110C857 Q861C857-Q859 VanDerWaalsContact C-N 3.34Å; C857-Q859 PolarHBondContact O-N 2.93Å; Q859-Q861 PolarHBondContact O-N 2.62Å
860S32.1Very low33.5Very low93 Ų93141.6 Ų141.665%0.6578%0.782SS**  trans-55.1125.3171.4-55.20000111.3V858 E862V858-S860 PolarHBondContact O-N 2.82Å; V858-S860 VanDerWaalsContact O-N 3.16Å; S860-E862 PolarHBondContact O-N 2.98Å
861Q33.4Very low33.2Very low178 Ų178140.7 Ų140.783%0.83278%0.775SS**  trans-75.391.2167.8-71-173.22.600110Q859 S863Q859-Q861 PolarHBondContact O-N 2.62Å; Q861-S863 PolarHBondContact O-N 3.19Å
862E32.4Very low33Very low179 Ų179139.8 Ų139.884%0.83677%0.77SS**  trans-67.983.9167.2-72.5-158.9128.500110.7S860 I864S860-E862 PolarHBondContact O-N 2.98Å; E862-I864 VanDerWaalsContact C-N 3.26Å; E862-I864 PolarHBondContact O-N 3.05Å
863S37.1Very low32.8Very low92 Ų92136.7 Ų136.764%0.64376%0.763SS**  trans-72.681170.7-70.20000110.2Q861 N865Q861-S863 PolarHBondContact O-N 3.19Å; S863-N865 PolarHBondContact O-N 3.05Å
864I31.6Very low32.9Very low162 Ų162138.6 Ų138.683%0.83177%0.765SS**  trans-54.4101.5173.73.5171.7000110.5E862E862-I864 VanDerWaalsContact C-N 3.26Å; E862-I864 PolarHBondContact O-N 3.05Å
865N33.8Very low33.1Very low155 Ų155141.1 Ų141.183%0.82976%0.76SS**  trans-99.6103.6167.4-90.4-57.9000109S863 V867S863-N865 PolarHBondContact O-N 3.05Å; N865-V867 PolarHBondContact O-N 2.83Å
866E36Very low33.2Very low175 Ų175142.4 Ų142.482%0.81877%0.766SS**  trans-61.4125.6-174.4-71.2-177100.700113.7
867V30.2Very low33.1Very low112 Ų112136.4 Ų136.468%0.67974%0.736SS**  30.598.1125.8-170.30000116.2N865N865-V867 PolarHBondContact O-N 2.83Å
868K35.9Very low33.2Very low206 Ų206134.7 Ų134.790%0.89673%0.725SS**  trans-125.670.2140.9-78-169178162.80112.5S870K868-S870 PolarHBondContact O-N 3.43Å
869N29Very low33.3Very low140 Ų140134 Ų13475%0.74971%0.714SS**  trans-58.1106.3156.7-87.9-35.6000110
870S35Very low33.3Very low105 Ų105131.9 Ų131.973%0.73470%0.703SS**  trans-151.573.5164-85.80000112.1K868K868-S870 PolarHBondContact O-N 3.43Å
871I29.6Very low33.2Very low143 Ų143132 Ų13273%0.73370%0.697SS**  4591.1116.6-53.4166.5000114.9
872I35.9Very low32.9Very low153 Ų153132.8 Ų132.879%0.78569%0.692SS**  trans-178.6106141.4-86.5142.8000103.1
873N30.6Very low32.9Very low148 Ų148135.6 Ų135.679%0.79170%0.695SS**  cis64.670.514-136.75.6000113.9
874N35.3Very low32.5Very low145 Ų145136.7 Ų136.778%0.77569%0.694SS**  trans-166103.9149-97.3-47.8000110.9P876N874-P876 WeakPolarHBondContact O-CD 3.43Å
875N35.2Very low32.2Very low132 Ų132134.7 Ų134.771%0.70668%0.684SS**  trans-85.1128.2165.8171.4-17.6000109.3D877N875-D877 PolarHBondContact OD1-N 3.03Å
876P36.5Very low31.9Very low117 Ų117135.2 Ų135.276%0.7668%0.679SS**  trans-129.270.7161.939.1-24.6000113.8N874N874-P876 WeakPolarHBondContact O-CD 3.43Å
877D32.4Very low31.5Very low43 Ų43130.1 Ų130.123%0.2367%0.674CS.*  67.7125.1107.9-157.627.4000120.2N875 R1384 R1385N875-D877 PolarHBondContact OD1-N 3.03Å; D877-R1384 WeakPolarHBondContact OD2-CD 3.32Å; D877-R1384 IonicContact OD2-CZ 3.71Å; D877-R1384 IonicContact OD2-NE 2.91Å; D877-R1384 PolarHBondContact OD2-NE 2.89Å; D877-R1384 IonicContact OD2-NH1 3.95Å; D877-R1384 PolarHBondContact OD2-NH1 2.66Å; D877-R1384 IonicContact OD2-NH2 3.9Å; D877-R1385 IonicContact OD1-CZ 3.55Å; D877-R1385 VanDerWaalsContact OD1-CZ 3.23Å; D877-R1385 IonicContact OD1-NH1 3.74Å; D877-R1385 PolarHBondContact OD1-NH1 2.87Å; D877-R1385 IonicContact OD1-NH2 3.63Å; D877-R1385 PolarHBondContact OD1-NH2 2.71Å; D877-R1385 IonicContact OD2-CZ 2.73Å; D877-R1385 IonicContact OD2-NH1 3.23Å; D877-R1385 PolarHBondContact OD2-NH1 3.31Å; D877-R1385 IonicContact OD2-NH2 3.18Å
878S31Very low31.5Very low60 Ų60132.5 Ų132.542%0.4268%0.678SS.*  trans66.5133.4162.364.80000116.3R1384S878-R1384 PolarHBondContact OG-NE 2.78Å; S878-R1384 PolarHBondContact OG-NH2 2.73Å
879H33.3Very low31Very low105 Ų105127.1 Ų127.149%0.48667%0.666SS.*  -156.6151.353.5-99.7-119.2000112.8T1382H879-T1382 WeakPolarHBondContact CE1-CG2 3.48Å; H879-T1382 PolarHBondContact CE1-OG1 3.03Å; H879-T1382 VanDerWaalsContact CE1-OG1 3.29Å
880E33Very low31Very low126 Ų126126.2 Ų126.259%0.58967%0.666SS**  trans65.1162.4145.7-70.6172.2-135.800116.8
881N29.4Very low30.6Very low96 Ų96125.9 Ų125.951%0.51366%0.662SS.*  cis-148.1165.8-11.9-130.1-52.3000107.7
882R28Very low30.6Very low195 Ų195124.9 Ų124.974%0.73666%0.658SS**  trans39.3115.7147.6-68.8153.4-154.8-130.5-0.2117.3
883R32.7Very low30.3Very low238 Ų238126.3 Ų126.390%0.89866%0.661SS**  31.274.552.2-148.5-155.2-137.2124.83.5112.6
884N27.3Very low30.3Very low114 Ų114122.9 Ų122.961%0.6165%0.649SS**  trans-175.1148.9144.2-98.411.1000109.4
885L26.7Very low30.1Very low120 Ų120125.2 Ų125.263%0.62866%0.656SS**  41.1132.9102-64.953.3000112.8
886F26.3Very low29.8Very low167 Ų167122 Ų12273%0.73265%0.653SS**  cis-113.9164.421-73.2-99.2000110.4
887G29.1Very low29.5Very low68 Ų68124.7 Ų124.770%0.70166%0.655SS**  cis75.3145.241.500000108.9
888E29.1Very low29.4Very low162 Ų162127.2 Ų127.276%0.75767%0.672SS**  cis-130.316215.8-67.4169.390.900108.4
889S26.3Very low29.5Very low92 Ų92129.9 Ų129.964%0.64368%0.682SS**  43.7109.268.7147.70000109.6
890T27.2Very low29.4Very low122 Ų122132 Ų13275%0.74869%0.692SS**  -157.2142.97031.30000110
891C27.9Very low29.4Very low98 Ų98131.4 Ų131.466%0.66269%0.691SS**  66.4117.877.5-131.50000112.2
892D29.3Very low29.4Very low121 Ų121132.3 Ų132.365%0.64770%0.696SS**  trans43.4121.1143.2-47.9-23.3000119.8
893Q30.7Very low29.6Very low183 Ų183130.9 Ų130.986%0.85570%0.695SS**  -166.7112.189.5-98.2139.795.100108.2
894S30Very low29.7Very low77 Ų77124 Ų12454%0.53868%0.683SS.*  94.4141.554.871.90000112.1
895Q30.1Very low30.3Very low194 Ų194124 Ų12491%0.90769%0.689SS**  trans69.3145.8169.7-53.8161.211.900113.9
896G30.1Very low30.5Very low63 Ų63123.7 Ų123.765%0.64969%0.692SS**  cis-128.1166.8-2.100000112
897H28.9Very low30.6Very low175 Ų175121.9 Ų121.981%0.8169%0.69SS**  cis59.6113.550-166.581.9000108
898V30.8Very low31Very low95 Ų95125.1 Ų125.158%0.57669%0.691SS**  cis-174.2-174.215.8-108.80000108.4
899D33.8Very low31.4Very low117 Ų117124.9 Ų124.963%0.62669%0.69SS**  cis-148.6157.4-0.3-118.8-26.6000108.3
900E31.9Very low31.9Very low150 Ų150127 Ų12770%0.70169%0.694SS**  46.4144.796.1-77.2-144.9133.900118.3
901I32.3Very low32.7Very low112 Ų112128.5 Ų128.557%0.57470%0.697SS**  cis-175.5168.8-23.7-148.2173.8000110.3
902L30.1Very low33.3Very low116 Ų116129.1 Ų129.161%0.60770%0.7SS**  trans64.4166.5161.6-87.636.4000116.2
903K30.7Very low33.6Very low165 Ų165130.4 Ų130.472%0.71771%0.707SS**  cis-148.9129.4-6.6-130.4142.2-166.5168.50106.4
904S35.9Very low33.7Very low93 Ų93129.6 Ų129.665%0.6570%0.701SS**  28.2141.1100.385.90000116
905P39.6Very low33.8Very low114 Ų114133.2 Ų133.274%0.7471%0.709SS**  -150.6147.862.746.7-28.1000115.8
906V30.3Very low34Very low114 Ų114131.9 Ų131.969%0.69170%0.703SS**  90129.885.8172.50000116.6
907N28.8Very low34.1Very low128 Ų128134.2 Ų134.268%0.68471%0.709SS**  trans64.8157.7162.4-65.83.3000118.9
908N36.4Very low34.2Very low137 Ų137133.5 Ų133.573%0.73371%0.706SS**  cis-128.1162.211.9-55.6-91.3000109.2
909H37.5Very low34.4Very low157 Ų157136.2 Ų136.273%0.72771%0.712SS**  55.3131.457.9-97.1-75.2000112
910D36.9Very low34.6Very low136 Ų136135.4 Ų135.473%0.72771%0.713SS**  cis-145.1168.418-73.7-82.6000112.9
911D44.4Very low34.4Very low154 Ų154135.7 Ų135.782%0.82472%0.718SS**  trans-70.6169.1161.5-58-71.2000112.2
912P41.8Very low34.3Very low111 Ų111135.5 Ų135.572%0.72173%0.727SS**  -155.1159.910839.3-21.9000118.4
913D35.3Very low34.4Very low147 Ų147132.9 Ų132.979%0.78673%0.728SS**  trans32134.3142.7-54.2-27.2000123.1
914F33.1Very low34.5Very low167 Ų167133.9 Ų133.973%0.73273%0.733SS**  83.4116.552.1-110.4-79.4000117E916F914-E916 HydrophobicContact CD1-CG 4.36Å; F914-E916 HydrophobicContact CE1-CG 4.42Å
915Q32.2Very low34.2Very low153 Ų153134.9 Ų134.972%0.71574%0.735SS**  trans169.2129149.4-95.2156.830.300107.5
916E33.3Very low33.9Very low166 Ų166134.9 Ų134.978%0.77673%0.733SS**  cis88.596.629.7-70.6-158.1147.700117.5F914F914-E916 HydrophobicContact CD1-CG 4.36Å; F914-E916 HydrophobicContact CE1-CG 4.42Å
917S32Very low34.3Very low111 Ų111138 Ų13878%0.77674%0.74SS**  trans-161.5122.4141.652.20000107.9
918E32.2Very low34.5Very low160 Ų160139.5 Ų139.575%0.74875%0.748SS**  6410961-62.6-139.211700111.5
919H33Very low34.4Very low152 Ų152137.7 Ų137.770%0.70475%0.746SS**  168-173.960-102.5-4.6000108.5
920P38.1Very low34.3Very low100 Ų100135.1 Ų135.165%0.64975%0.746SS**  -141.7-169.2-54.942.2-22.7000115
921I29.3Very low34.2Very low156 Ų156140.8 Ų140.880%0.876%0.757SS**  trans95.1112.8154.3-64.9160.8000121.3
922S28.7Very low33.7Very low108 Ų108143.6 Ų143.676%0.75576%0.756SS**  trans61128.7143.9-169.40000121.6
923G34Very low33.6Very low61 Ų61150 Ų15063%0.62977%0.766SS**  cis160.6176.5-2.400000114.7
924F31Very low33.7Very low186 Ų186148.3 Ų148.382%0.81676%0.761SS**  trans70.5100.5175.2-63.9-85.5000116.3
925T30.8Very low34Very low114 Ų114147.7 Ų147.770%0.69976%0.764SS**  76.6132.871.860.40000114.9
926T32.4Very low34.4Very low115 Ų115145 Ų14571%0.70676%0.758SS**  cis-166.1164.4-10.9-49.60000107.6
927Q38.7Very low34.5Very low180 Ų180145.7 Ų145.784%0.84176%0.759SS**  trans73.4113.3166.2-52.5-173-35.400114.8
928N32.9Very low35.3Very low159 Ų159147.3 Ų147.385%0.8576%0.759SS**  cis83.8121.918.5-15010.7000117
929S35.7Very low35.8Very low98 Ų98147.2 Ų147.269%0.68576%0.763SS**  trans84111158.8-126.80000122.1
930S34.4Very low36.6Very low104 Ų104148.2 Ų148.273%0.72777%0.768SS**  63.686.9125-54.80000120.7R932S930-R932 PolarHBondContact O-N 3.41Å
931R34.9Very low37.2Very low255 Ų255150.5 Ų150.596%0.96278%0.775SS**  trans-67.691.2156.9-88.4-179.1155.3-172-7.4111.5
932R33.8Very low37.7Very low213 Ų213150.8 Ų150.880%0.80478%0.778SS**  trans-72.8122.5158.3-165.7-176.4-61.8-177.92107.7S930 V934S930-R932 PolarHBondContact O-N 3.41Å; R932-V934 PolarHBondContact O-N 3.15Å
933R40.3Very low38.5Very low244 Ų244154.5 Ų154.592%0.92178%0.784SS**  trans-70.6102.2177.1-74.4-170.9-72.8-172.4-2.8109.5
934V37.3Very low38.7Very low112 Ų112160 Ų16068%0.67979%0.793SS**  trans-93.8119164.5178.90000106.7R932 V936R932-V934 PolarHBondContact O-N 3.15Å; V934-V936 HydrophobicContact CG1-CG2 4.12Å; V934-V936 PolarHBondContact O-N 2.92Å
935L39.9Very low39.2Very low155 Ų155159.1 Ų159.181%0.81279%0.792SS**  trans-79111.1163.7-71.4173000107
936V39.8Very low39.3Very low96 Ų96157.5 Ų157.558%0.58280%0.797SS**  trans-86.1129.1168.3-178.30000106.9V934 D938V934-V936 HydrophobicContact CG1-CG2 4.12Å; V934-V936 PolarHBondContact O-N 2.92Å; V936-D938 VanDerWaalsContact CG1-OD1 3.3Å; V936-D938 WeakPolarHBondContact CG1-OD1 3.47Å
937F35.5Very low39.7Very low181 Ų181158.3 Ų158.379%0.79480%0.797SS**  trans-90.3114.1161.6-65.4-90.8000106.3
938D49.6Very low39.6Very low144 Ų144159.1 Ų159.177%0.7780%0.798SS**  trans-93.7106174.9-71.5-46.5000108.8V936 E940V936-D938 VanDerWaalsContact CG1-OD1 3.3Å; V936-D938 WeakPolarHBondContact CG1-OD1 3.47Å; D938-E940 PolarHBondContact O-N 3.4Å
939D41Very low39.9Very low158 Ų158160.5 Ų160.585%0.84580%0.799SS**  trans-89.381.8175.8-74.2-51000110.9
940E50.1Low40Very low173 Ų173164.8 Ų164.881%0.80881%0.806SS**  trans-144.8138.6170.5-70.5-171.7177.800109.4D938D938-E940 PolarHBondContact O-N 3.4Å
941D50.5Low40.2Very low148 Ų148168.3 Ų168.379%0.79181%0.808SS**  cis-158.6163.6-10-131.9-22.9000110.1
942D39.4Very low40.1Very low162 Ų162161.4 Ų161.487%0.86679%0.79SS**  trans-77.7123.1174.8-95.9-49.1000111.6
943E45.5Very low40Very low186 Ų186158.4 Ų158.487%0.86979%0.79SS**  trans-133.4129.3164.6-86.9-71.1-168.300112.3
944E38.5Very low39.5Very low178 Ų178152 Ų15283%0.83278%0.782SS**  trans-90.8139.8179-67.4-167.1115.900111.7
945E41.1Very low39Very low167 Ų167156.1 Ų156.178%0.7879%0.792SS**  -175.3127.3110-103.6-158.4-175.800112.1N947E945-N947 PolarHBondContact OE2-ND2 3.47Å
946G33.7Very low38.5Very low79 Ų79155.3 Ų155.381%0.81479%0.787SS**  trans-105.7111.3164.700000110.3
947N40.2Very low38.1Very low133 Ų133158.3 Ų158.371%0.71179%0.794SS**  trans-123.4133.3174.8-97.9-55.6000112.2E945E945-N947 PolarHBondContact OE2-ND2 3.47Å
948K37.1Very low38.1Very low196 Ų196156.2 Ų156.285%0.85280%0.799SS**  trans-100.4138.8-177.1-54.6171-176.9178.90108.7
949E39.1Very low37.1Very low188 Ų188153.4 Ų153.488%0.87979%0.79SS**  -178.4148.8115.2-100.5-166.1131.400114.4
950K38.1Very low36.5Very low188 Ų188149.8 Ų149.882%0.81778%0.778SS**  trans-45.6136.5172.6-56.1161.1-179.5179.10112.5
951K38.7Very low35.6Very low179 Ų179150.2 Ų150.278%0.77878%0.784SS**  -174.3134.6112.4-102.1-167169.3-170.40116.4
952D33.5Very low34.8Very low110 Ų110149.4 Ų149.459%0.58878%0.779SS**  trans34.5124.6133.4-38.1-18.6000120.3
953N31.2Very low34.3Very low149 Ų149151.6 Ų151.680%0.79778%0.775SS**  trans94.2107.2155.5-47.6-66.3000118.9
954S28.8Very low33.9Very low109 Ų109149.7 Ų149.776%0.76277%0.771SS**  trans59.9115.9133.166.50000120.6
955F26.9Very low33.6Very low199 Ų199148.4 Ų148.487%0.87377%0.77SS**  trans75.6158.6139.2-162.6-118.7000117
956I30.9Very low33.4Very low139 Ų139144.6 Ų144.671%0.71376%0.759SS**  trans73.698.4-178.6-47.8178.1000114
957E31.5Very low33.4Very low158 Ų158150.3 Ų150.374%0.73876%0.762SS**  trans-57.3145.2155.9-56.2165.6111.600110.1S959E957-S959 PolarHBondContact O-N 3.35Å; E957-S959 PolarHBondContact O-OG 2.94Å
958P34.8Very low33.2Very low138 Ų138152.9 Ų152.990%0.89677%0.767SS**  trans-71.381.4163.931.1-33.1000109.6S960P958-S960 PolarHBondContact O-N 2.9Å
959S28.1Very low32.9Very low84 Ų84149.3 Ų149.359%0.58777%0.767SS**  trans-58.7130.3-173.3-43.90000113.2E957E957-S959 PolarHBondContact O-N 3.35Å; E957-S959 PolarHBondContact O-OG 2.94Å
960S28.6Very low32.8Very low82 Ų82146 Ų14657%0.57376%0.759SS**  trans34.692.7145.456.10000117.9P958 I962P958-S960 PolarHBondContact O-N 2.9Å; S960-I962 PolarHBondContact O-N 3.19Å
961L32.1Very low32.6Very low182 Ų182141.8 Ų141.895%0.95375%0.753SS**  trans-79.552.7163.5-148.576.4000112.7R963L961-R963 PolarHBondContact O-N 2.9Å; L961-R963 VanDerWaalsContact O-N 3.13Å
962I33.7Very low32.6Very low131 Ų131141.6 Ų141.667%0.67276%0.755SS**  trans-70.5102.9168-63.2167.8000108.5S960S960-I962 PolarHBondContact O-N 3.19Å
963R28Very low32.6Very low209 Ų209140.8 Ų140.879%0.78976%0.758SS**  trans179.2146.6154.8-107.6155-73.8-164.2-1.9110.1L961L961-R963 PolarHBondContact O-N 2.9Å; L961-R963 VanDerWaalsContact O-N 3.13Å
964N37Very low32.6Very low146 Ų146140 Ų14078%0.78175%0.754SS**  cis-134.6116.425.4-65.3-86.1000113.4
965N31.8Very low32.9Very low151 Ų151143.9 Ų143.981%0.80776%0.758SS**  trans-85.3126.8156.2-169.43.6000108.4
966P37.4Very low33.1Very low87 Ų87139.7 Ų139.757%0.56575%0.748SS**  trans-75.1160.1175.131.1-35.2000112.4
967F33.7Very low33.3Very low198 Ų198138.1 Ų138.187%0.86875%0.75SS**  trans69.877.9-178.4-50.6-76.2000114.3
968K36.1Very low33.5Very low188 Ų188136.6 Ų136.682%0.81775%0.747SS**  84.9102.455.4-170.4-170.2176.3-173.40113.7
969S30.8Very low33.6Very low121 Ų121136.4 Ų136.485%0.84674%0.738SS**  trans-97.8145.6175.5-40.20000113.5
970T37Very low33.8Very low117 Ų117139.8 Ų139.872%0.71875%0.749SS**  trans-151.1101.1161.146.50000106
971S34.7Very low34.3Very low100 Ų100140 Ų14070%0.69975%0.751SS**  104.6147.665.159.80000111.2
972E37.8Very low34.3Very low175 Ų175138.7 Ų138.782%0.81874%0.74SS**  trans84.777.6165.6-58.2179.8-144.300120.6
973S33.9Very low34.5Very low93 Ų93137.3 Ų137.365%0.6574%0.737SS**  89.4132.9112.980.40000123.4
974N31.8Very low34.8Very low134 Ų134137.5 Ų137.572%0.71774%0.744SS**  trans81148144.9-57.3-34.2000121.6
975F35.2Very low34.9Very low189 Ų189138.5 Ų138.583%0.82974%0.744SS**  trans77.4103169.9-59.3-76.6000118.8
976T30.3Very low34.9Very low111 Ų111138 Ų13868%0.68175%0.746SS**  18.8139.3110.360.20000116.5
977S34.1Very low35Very low107 Ų107140.8 Ų140.875%0.74876%0.756SS**  cis-178.4153.740.637.80000109.3
978D37.7Very low35.5Very low126 Ų126139.6 Ų139.667%0.67476%0.759SS**  cis-165.2-172.5-2.9-123-95.4000112.1
979N35.4Very low35.5Very low133 Ų133137.5 Ų137.571%0.71176%0.757SS**  trans-11.5148.5153.3-80.8-76.6000119.6
980L33.1Very low36Very low156 Ų156137.7 Ų137.782%0.81775%0.753SS**  -161.4-177.655.2-127.3169.7000113.8
981S38.6Very low36Very low87 Ų87140 Ų14061%0.60876%0.755SS**  trans-137.3-158.4-165.349.80000114.6
982E32.3Very low36.2Very low153 Ų153142 Ų14272%0.71576%0.758SS**  trans72.1130.4176.9-82.6104.914100117.9
983V38.4Very low36.1Very low103 Ų103141.4 Ų141.462%0.62476%0.755SS**  cis84.5124.336.3175.30000114.1
984F33.7Very low36.1Very low213 Ų213142.1 Ų142.193%0.93475%0.751SS**  trans-153143.6148.1-91.1-66.7000111.6
985H38.4Very low36.4Very low167 Ų167143.1 Ų143.177%0.77375%0.749SS**  trans-100.9165.6166.6-56.5-98.4000109.8
986T33.2Very low36.3Very low140 Ų140141.7 Ų141.786%0.85975%0.748SS**  -164.1147.1127.123.70000110.8
987D38Very low36.7Very low145 Ų145141.8 Ų141.878%0.77575%0.754SS**  trans-74.8166173-35.6-103.6000112.1
988D44.5Very low36.7Very low173 Ų173143.1 Ų143.193%0.92576%0.757SS**  trans-155.9148.2132.2-117-28.1000110.5
989N35.6Very low37.2Very low145 Ų145142.8 Ų142.878%0.77576%0.76SS**  trans-136.4116.9-164.2172.730000111.3
990V43.1Very low37.5Very low125 Ų125143.2 Ų143.276%0.75876%0.762SS**  trans-145.5117.7170.7-87.20000111.5
991E36.6Very low38.2Very low165 Ų165144.4 Ų144.477%0.77176%0.763SS**  18.3141.3117.9-63-177.7139.500117.5
992L37.8Very low38.2Very low143 Ų143144.5 Ų144.575%0.74976%0.764SS**  cis161.6151.8-10.8-121174.7000104.1
993E37Very low39Very low161 Ų161144.3 Ų144.375%0.75277%0.768SS**  trans72.2153.2166.4-37-155.7170.400120.4
994D33.8Very low39.1Very low109 Ų109145.2 Ų145.258%0.58377%0.77SS**  trans90.599.1144.9-84.3-4.8000123.4
995K37.3Very low39.8Very low154 Ų154143.5 Ų143.567%0.6776%0.764SS**  83.588.4124.7-67.1170.1173810118.7
996I33.8Very low39.7Very low159 Ų159141.1 Ų141.182%0.81576%0.762SS**  36.4113.5110.5-50158.4000116.2
997S38.3Very low40.1Very low113 Ų113142 Ų14279%0.7976%0.76SS**  trans-153.7110.5146.563.80000112.6
998T34.1Very low40Very low135 Ų135143.4 Ų143.483%0.82876%0.761SS**  trans-83126.2170.6-46.10000110.6
999V48.3Very low40.1Very low119 Ų119139.9 Ų139.972%0.72176%0.756SS**  trans-153.1122.1165.2172.40000104.8
1000D40.8Very low40.3Very low142 Ų142136.5 Ų136.576%0.75976%0.755SS**  cis83.193.933.2-166.433.9000114.5
1001E48.5Very low40.2Very low181 Ų181138 Ų13885%0.84676%0.759SS**  trans177126.7164.6-102.7166-158.600104.5
1002S39.5Very low40.6Very low90 Ų90138.1 Ų138.163%0.62977%0.765SS**  cis142165.8-4.757.80000106.7
1003D49.4Very low41Very low148 Ų148138.6 Ų138.679%0.79176%0.764SS**  trans78.5104.2-176.5-52.8-9.8000113.3
1004D39.3Very low41.7Very low123 Ų123134.8 Ų134.866%0.65876%0.76SS**  61104.964.8-174.421.2000113.4
1005H48.7Very low42Very low176 Ų176136.8 Ų136.882%0.81577%0.77SS**  -160.5104.6126.8-88.1-10.4000110.4
1006T35.3Very low42.4Very low118 Ų118136.8 Ų136.872%0.72478%0.776SS**  trans-81.3128.1173.5-57.10000110.8E1008T1006-E1008 HydrophobicContact CG2-CG 4.23Å
1007I42.5Very low43.1Very low159 Ų159134.6 Ų134.682%0.81577%0.766SS**  trans-137.6105.7166.4-48.9179.5000109.2
1008E37Very low43.8Very low174 Ų174134.7 Ų134.781%0.81376%0.764SS**  trans-99.3119.7175.4-72.7-78.5-165.700110.1T1006T1006-E1008 HydrophobicContact CG2-CG 4.23Å
1009A45.8Very low44.7Very low99 Ų99135 Ų13582%0.81876%0.76SS**  trans-174.6123.416200000110.3
1010G39.7Very low44.7Very low73 Ų73135.2 Ų135.275%0.75376%0.758SS**  cis-179.3163.6-8.300000111.9
1011D40.3Very low45.2Very low156 Ų156136.9 Ų136.983%0.83476%0.764SS**  trans-78.9129174.5-64.4-51.9000111.6
1012D46Very low45.1Very low169 Ų169132.9 Ų132.990%0.90475%0.753SS**  trans-10858.9164.8-92.7-40.9000110A1014D1012-A1014 PolarHBondContact O-N 2.73Å
1013E46Very low45.3Very low153 Ų153135.8 Ų135.872%0.71576%0.761SS**  trans-70.977.4172.7-92-72.6-171.700111.2N1015E1013-N1015 VanDerWaalsContact C-N 3.26Å; E1013-N1015 PolarHBondContact O-N 2.72Å; E1013-N1015 PolarHBondContact O-ND2 2.88Å
1014A51.5Low45.5Very low81 Ų81136.7 Ų136.767%0.66976%0.761SS**  trans-67.580.8176.700000111.2D1012 I1016D1012-A1014 PolarHBondContact O-N 2.73Å; A1014-I1016 PolarHBondContact O-N 2.86Å
1015N39.9Very low46Very low150 Ų150136.5 Ų136.580%0.80276%0.76SS**  trans-59.395.2173-81.4-108.5000110.1E1013 D1017E1013-N1015 VanDerWaalsContact C-N 3.26Å; E1013-N1015 PolarHBondContact O-N 2.72Å; E1013-N1015 PolarHBondContact O-ND2 2.88Å; N1015-D1017 PolarHBondContact O-N 3.16Å
1016I46.3Very low46Very low155 Ų155134.9 Ų134.980%0.79576%0.757SS**  trans-84.6107.3169.3-64.7177.4000107.8A1014A1014-I1016 PolarHBondContact O-N 2.86Å
1017D47.6Very low46.4Very low112 Ų112132.4 Ų132.460%0.59976%0.755SS**  trans-57.7123.6172.5-168.7-24.7000110.2N1015 D1019N1015-D1017 PolarHBondContact O-N 3.16Å; D1017-D1019 VanDerWaalsContact C-N 3.27Å; D1017-D1019 PolarHBondContact O-N 2.98Å; D1017-D1019 PolarHBondContact OD1-N 3Å
1018P54.3Low46.3Very low116 Ų116129.6 Ų129.675%0.75375%0.749SS**THydrogen-bonded Turntrans-75.6-10.2179.631.9-36.3000114.1
1019D51.3Low46.6Very low140 Ų140127.7 Ų127.775%0.74974%0.744SS**THydrogen-bonded Turntrans-105.34.3-165.3-72.2-34.3000115.6D1017D1017-D1019 VanDerWaalsContact C-N 3.27Å; D1017-D1019 PolarHBondContact O-N 2.98Å; D1017-D1019 PolarHBondContact OD1-N 3Å
1020D49Very low46.5Very low125 Ų125128.6 Ų128.667%0.66874%0.736SS**  trans-126.870178.5-16417.1000115.4
1021I51Low46.8Very low176 Ų176131.8 Ų131.890%0.90373%0.731SS**  trans-142.186.1141.822.2172.2000109.9
1022T46.4Very low46.8Very low98 Ų98128.6 Ų128.660%0.60172%0.721SS**  trans-77152.4171.2530000112.6
1023D43.2Very low46.4Very low151 Ų151124.4 Ų124.481%0.80771%0.705SS**  trans65.6132.3160.9-51-27.2000116.1
1024E55.2Low46Very low166 Ų166122.8 Ų122.878%0.77670%0.697SS**  cis-147.9164.524.4-66.3-179.1131.400112.4
1025D48.6Very low45.6Very low120 Ų120120.2 Ų120.264%0.64268%0.679SS**  trans60.1149.8160.4-85.8-8.5000120.8
1026N48.4Very low45.4Very low142 Ų142114.5 Ų114.576%0.75965%0.648SS**  cis-175.8162.8-41.7-121.8-50.4000108
1027G43.9Very low45.1Very low65 Ų65112 Ų11267%0.6763%0.633SS**  trans96.987.5-179.200000112.1
1028S40.1Very low44.7Very low100 Ų100111.4 Ų111.470%0.69963%0.627SS**  cis53.9127.742.3-74.60000111.8
1029D43.4Very low43.9Very low134 Ų134110.7 Ų110.772%0.71761%0.613SS**  cis-125.3155.916.9-72.6-59000111.4
1030N45.3Very low43.3Very low118 Ų118110.5 Ų110.563%0.63161%0.608SS**  58.813561.4-126.133.2000111.1
1031E44.2Very low42.7Very low141 Ų141111.9 Ų111.966%0.65961%0.608SS**  cis-122.3154.323.1-53.7-62.714600110.8
1032S41Very low42Very low89 Ų89109.5 Ų109.562%0.62260%0.597SS**  50.1107.370.2-96.90000113.5
1033S38.5Very low41.5Very low81 Ų81111.1 Ų111.157%0.56660%0.602SS**  cis98.3158.849.870.10000113.3
1034E37.7Very low41.1Very low119 Ų119109.2 Ų109.256%0.55660%0.6SS**  trans71160.1167-38.1-155.7156.800120.6K332K332-E1034 HydrophobicContact CB-CB 4Å; K332-E1034 HydrophobicContact CB-CG 3.7Å; K332-E1034 WeakPolarHBondContact CB-OE1 3.34Å; K332-E1034 HydrophobicContact CD-CB 4.12Å; K332-E1034 WeakPolarHBondContact CD-OE2 3.38Å; K332-E1034 HydrophobicContact CG-CB 4.26Å; K332-E1034 HydrophobicContact CG-CG 4.48Å
1035G43.1Very low40.5Very low27 Ų27107.3 Ų107.328%0.27860%0.595SS.*  trans9780.4162.500000115.6K297K297-G1035 CarbonylContact O-C 3.53Å
1036D35.2Very low40.4Very low30 Ų30108.7 Ų108.716%0.1660%0.597CS.*  46.3123.667.4-76.9-59.7000112.1K297 V299 R300 K332K297-D1036 PolarHBondContact O-N 3.27Å; V299-D1036 WeakPolarHBondContact CA-OD1 3.23Å; V299-D1036 HydrophobicContact CB-CB 4.24Å; V299-D1036 WeakPolarHBondContact CB-OD1 3.45Å; V299-D1036 WeakPolarHBondContact CB-OD2 3.42Å; V299-D1036 WeakPolarHBondContact CG1-OD1 3.32Å; V299-D1036 WeakPolarHBondContact CG1-OD2 3.5Å; R300-D1036 PolarHBondContact N-OD1 2.88Å; K332-D1036 VanDerWaalsContact CE-CG 3.41Å; K332-D1036 WeakPolarHBondContact CE-OD2 3.14Å; K332-D1036 WeakPolarHBondContact CG-OD2 3.45Å; K332-D1036 IonicContact NZ-OD2 2.75Å
1037E40.1Very low39.9Very low101 Ų101107 Ų10747%0.47259%0.589SS.*  cis-156.817021.1-109.7152.1-98.700111.7
1038E39.2Very low39.9Very low101 Ų101108.7 Ų108.747%0.47258%0.579SS.*  trans15.8153.3137.5-60.6-165.8176.200122G301G301-E1038 WeakPolarHBondContact CA-OE1 3.31Å; G301-E1038 PolarHBondContact N-OE1 3.39Å
1039E37.3Very low40.3Very low101 Ų101107 Ų10747%0.47256%0.562SS.*  cis-159.1-169.3-6.9-121.7-148.7147.800108.9R578R578-E1039 IonicContact CZ-OE1 3.9Å; R578-E1039 IonicContact NH1-OE1 2.92Å; R578-E1039 PolarHBondContact NH1-OE1 3.25Å; R578-E1039 IonicContact NH2-OE1 3.27Å; R578-E1039 PolarHBondContact NH2-OE1 3.15Å
1040E38.1Very low40.6Very low135 Ų135106.6 Ų106.663%0.63156%0.56SS**  trans25136.5154.5-66.8-163.4152.700120.2
1041K37.7Very low41Very low154 Ų154108 Ų10867%0.6756%0.563SS**  -179.9168.466.4-147.5176.1-141.472.40112.8
1042D36.3Very low41.5Very low127 Ų127105.7 Ų105.768%0.67955%0.552SS**  trans60.194.2168.5-74.1-19.4000115.8
1043N34.1Very low42.2Very low131 Ų131106.8 Ų106.870%0.70155%0.547SS*.  76.9141.161.2-67.3-50.1000114.3
1044S36.3Very low43.1Very low111 Ų111108.1 Ų108.178%0.77655%0.547SS*.  trans72.2145.3145.160.70000119.7
1045L42.5Very low44Very low126 Ų126107.9 Ų107.966%0.6655%0.546SS*.  cis-174.8-166.5-20.6-16755.7000105.4D1047L1045-D1047 WeakPolarHBondContact CG-OD2 3.42Å
1046E46Very low44.6Very low149 Ų149112.8 Ų112.870%0.69656%0.556SS**  trans73.573.6157.7-66.5162.6-128.300111.1
1047D38.3Very low45.3Very low108 Ų108117.3 Ų117.358%0.57858%0.579SS**  67.1112.261.2-40.6-40.2000111.7L1045L1045-D1047 WeakPolarHBondContact CG-OD2 3.42Å
1048E43.9Very low45.7Very low99 Ų99116.8 Ų116.846%0.46358%0.583SS.*  trans-175.381.8162.1-114.1-179.1-131.500110.2P1217 M1218 K1219E1048-P1217 WeakPolarHBondContact O-CB 3.48Å; E1048-M1218 HydrophobicContact CB-CE 3.71Å; E1048-M1218 HydrophobicContact CB-SD 4.16Å; E1048-M1218 HydrophobicContact CG-CE 4.4Å; E1048-K1219 PolarHBondContact OE2-N 3.01Å
1049D48.1Very low46.1Very low64 Ų64117 Ų11734%0.34259%0.586SS.*  trans-168.612.5142-111.3-0.8000114.9E1051 E1052 P1217 K1219D1049-E1051 PolarHBondContact O-N 2.9Å; D1049-E1052 PolarHBondContact O-N 2.77Å; D1049-E1052 VanDerWaalsContact O-N 3.09Å; D1049-P1217 HydrophobicContact CB-CB 4.17Å; D1049-P1217 VanDerWaalsContact OD2-CB 3.24Å; D1049-P1217 WeakPolarHBondContact OD2-CB 3.25Å; D1049-K1219 IonicContact OD1-NZ 2.72Å; D1049-K1219 PolarHBondContact OD1-NZ 3.44Å; D1049-K1219 IonicContact OD2-NZ 2.67Å
1050D49.2Very low46.3Very low126 Ų126115.4 Ų115.467%0.67458%0.579SS**THydrogen-bonded Turntrans-53.5-16.9170.2-65.1-26.9000113.8I1054D1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; D1050-I1054 WeakPolarHBondContact O-CG1 3.46Å
1051E54Low46.5Very low148 Ų148113.2 Ų113.269%0.69258%0.579SS**Hα-helixtrans-72.9-22.6177.8-60.7-159.1158.200114.1D1049 Q1055D1049-E1051 PolarHBondContact O-N 2.9Å; E1051-Q1055 VanDerWaalsContact O-CG 3.31Å; E1051-Q1055 WeakPolarHBondContact O-CG 3.22Å; E1051-Q1055 PolarHBondContact O-N 2.78Å; E1051-Q1055 PolarHBondContact O-NE2 2.79Å
1052E55Low46.4Very low93 Ų93110.6 Ų110.644%0.43557%0.572SS.*Hα-helixtrans-87.6-17.3-177.4-66.4-160.5-175.900114.1D1049 R1056 K1219D1049-E1052 PolarHBondContact O-N 2.77Å; D1049-E1052 VanDerWaalsContact O-N 3.09Å; E1052-R1056 PolarHBondContact O-NH1 3.37Å; E1052-K1219 WeakPolarHBondContact OE1-CE 3.38Å; E1052-K1219 IonicContact OE1-NZ 2.67Å; E1052-K1219 PolarHBondContact OE1-NZ 2.96Å
1053E55.2Low46.7Very low112 Ų112112.5 Ų112.552%0.52358%0.577SS.*Hα-helixtrans-75.9-46.9169.3-166.684.2-117.700110.5Q1055 R1056E1053-Q1055 VanDerWaalsContact C-N 3.27Å; E1053-Q1055 PolarHBondContact O-N 3.04Å; E1053-R1056 PolarHBondContact O-N 3.05Å; E1053-R1056 IonicContact OE1-CZ 3.91Å; E1053-R1056 IonicContact OE1-NE 2.66Å; E1053-R1056 IonicContact OE1-NH2 2.96Å; E1053-R1056 PolarHBondContact OE1-NH2 3.16Å; E1053-R1056 IonicContact OE2-NH2 3.5Å; E1053-R1056 PolarHBondContact OE2-NH2 3.04Å
1054I57.9Low47.1Very low109 Ų109113.6 Ų113.656%0.55958%0.581SS**Hα-helixtrans-64-32.6-177.5-61.8171.4000111.6D1050 T1058D1050-I1054 WeakPolarHBondContact O-CD1 3.46Å; D1050-I1054 WeakPolarHBondContact O-CG1 3.46Å; I1054-T1058 PolarHBondContact O-N 3.03Å; I1054-T1058 PolarHBondContact O-OG1 3.39Å
1055Q57.4Low47.6Very low114 Ų114116.9 Ų116.953%0.53358%0.582SS.*Hα-helixtrans-70.7-34.6177.5-76.6175.282.100113.1E1051 E1053 T1058E1051-Q1055 VanDerWaalsContact O-CG 3.31Å; E1051-Q1055 WeakPolarHBondContact O-CG 3.22Å; E1051-Q1055 PolarHBondContact O-N 2.78Å; E1051-Q1055 PolarHBondContact O-NE2 2.79Å; E1053-Q1055 VanDerWaalsContact C-N 3.27Å; E1053-Q1055 PolarHBondContact O-N 3.04Å; Q1055-T1058 PolarHBondContact O-N 3.18Å
1056R53.8Low48.1Very low130 Ų130120.3 Ų120.349%0.49159%0.591SS.*Hα-helixtrans-61.4-47.6175.5-67.4-171.6-64.8-96.621111.7E1052 E1053 T1058 I1059E1052-R1056 PolarHBondContact O-NH1 3.37Å; E1053-R1056 PolarHBondContact O-N 3.05Å; E1053-R1056 IonicContact OE1-CZ 3.91Å; E1053-R1056 IonicContact OE1-NE 2.66Å; E1053-R1056 IonicContact OE1-NH2 2.96Å; E1053-R1056 PolarHBondContact OE1-NH2 3.16Å; E1053-R1056 IonicContact OE2-NH2 3.5Å; E1053-R1056 PolarHBondContact OE2-NH2 3.04Å; R1056-T1058 PolarHBondContact O-N 3.35Å; R1056-I1059 PolarHBondContact O-N 2.81Å
1057L51.1Low47.7Very low124 Ų124119.8 Ų119.865%0.64960%0.598SS**Hα-helixtrans-66.2-16.7-179.9-66.7171.6000114
1058T49.1Very low48.3Very low91 Ų91124.4 Ų124.456%0.55861%0.613SS**Hα-helixtrans-81.7-32-178.3-61.20000112.6I1054 Q1055 R1056 S1061I1054-T1058 PolarHBondContact O-N 3.03Å; I1054-T1058 PolarHBondContact O-OG1 3.39Å; Q1055-T1058 PolarHBondContact O-N 3.18Å; R1056-T1058 PolarHBondContact O-N 3.35Å; T1058-S1061 PolarHBondContact O-OG 2.84Å; T1058-S1061 VanDerWaalsContact O-OG 3.1Å
1059I47.6Very low48.9Very low104 Ų104128.7 Ų128.753%0.53363%0.63SS.*Hα-helixtrans-86-31.7-165.8-65.4172.7000113.3R1056 S1061R1056-I1059 PolarHBondContact O-N 2.81Å; I1059-S1061 PolarHBondContact O-N 3.32Å
1060Q41.5Very low48.8Very low68 Ų68134.4 Ų134.432%0.31865%0.652SS.*THydrogen-bonded Turntrans-61.7-16.2-177.4-58.7-177.8-2500114.9D465 E466 V467 N1062D465-Q1060 PolarHBondContact O-NE2 3.44Å; D465-Q1060 VanDerWaalsContact O-NE2 3.08Å; E466-Q1060 VanDerWaalsContact O-CD 3.25Å; E466-Q1060 PolarHBondContact O-NE2 2.91Å; V467-Q1060 HydrophobicContact CG2-CB 3.89Å; V467-Q1060 HydrophobicContact CG2-CG 3.86Å; V467-Q1060 WeakPolarHBondContact O-CG 3.47Å; V467-Q1060 PolarHBondContact O-NE2 2.99Å; Q1060-N1062 PolarHBondContact O-N 3.34Å
1061S40.9Very low48.9Very low89 Ų89136.4 Ų136.462%0.62265%0.65SS**THydrogen-bonded Turntrans-739.6-160.561.60000117.2T1058 I1059T1058-S1061 PolarHBondContact O-OG 2.84Å; T1058-S1061 VanDerWaalsContact O-OG 3.1Å; I1059-S1061 PolarHBondContact O-N 3.32Å
1062N37Very low49.1Very low100 Ų100135.4 Ų135.454%0.53565%0.649SS.*SBendtrans-142.6158-177.2-72.3-82.5000114.9Q1060Q1060-N1062 PolarHBondContact O-N 3.34Å
1063E41.1Very low49.3Very low166 Ų166135.8 Ų135.878%0.77665%0.654SS**  trans92.87.5159.7-59.5-82.5122.300123.1
1064I42.1Very low49.6Very low155 Ų155134.2 Ų134.280%0.79565%0.649SS**  trans-108.270.6163.6-45.5-173.7000113.9
1065K46.9Very low49.4Very low180 Ų180134.1 Ų134.178%0.78364%0.644SS**  trans-97.292.6169.2-71.9167.3-176.4148.60111.6
1066K53Low49.5Very low197 Ų197132.3 Ų132.386%0.85764%0.641SS**  trans-150.293.2163.6-98128.8-174.1175.20112.7K1068K1066-K1068 PolarHBondContact O-N 3.18Å
1067T39.3Very low49.8Very low139 Ų139131.1 Ų131.185%0.85365%0.645SS**  trans-34.3110.6173.6550000115.4
1068K50.5Low50.1Low204 Ų204132.1 Ų132.189%0.88765%0.646SS**PPolyproline II helixtrans-101.2148.3145.5-117.7174.2-178.6176.80108.1K1066K1066-K1068 PolarHBondContact O-N 3.18Å
1069K56Low50.5Low190 Ų190135.5 Ų135.583%0.82666%0.655SS**PPolyproline II helixtrans-94.2117.5-164-61.1171.5-175.5174.40109.4R1071K1069-R1071 PolarHBondContact O-N 2.9Å
1070F46.4Very low51.1Low183 Ų183133.2 Ų133.280%0.80365%0.652SS**PPolyproline II helixtrans-47.2122.5157.5-67.7-91.9000108.1F1075F1070-F1075 AromaticContact CD1-CE2 3.88Å; F1070-F1075 HydrophobicContact CD1-CE2 3.88Å; F1070-F1075 AromaticContact CD1-CZ 3.97Å; F1070-F1075 HydrophobicContact CD1-CZ 3.97Å; F1070-F1075 HydrophobicContact CE1-CZ 4.44Å
1071R50.8Low51.6Low168 Ų168138.4 Ų138.463%0.63468%0.676SS**PPolyproline II helixtrans-90.7116.5169.4-78.1175.1170179.1-2.6106.6K1069 N1073 D1074 F1075K1069-R1071 PolarHBondContact O-N 2.9Å; R1071-N1073 PolarHBondContact O-N 2.92Å; R1071-D1074 HydrophobicContact CB-CB 4.16Å; R1071-D1074 VanDerWaalsContact CB-CG 3.43Å; R1071-D1074 VanDerWaalsContact CB-OD1 3.25Å; R1071-D1074 WeakPolarHBondContact CB-OD1 3.38Å; R1071-D1074 WeakPolarHBondContact CD-OD1 3.46Å; R1071-D1074 VanDerWaalsContact CD-OD2 3.23Å; R1071-D1074 WeakPolarHBondContact CD-OD2 3.11Å; R1071-D1074 IonicContact NH1-OD1 3.49Å; R1071-D1074 IonicContact NH1-OD2 3.44Å; R1071-D1074 PolarHBondContact O-N 3.41Å; R1071-D1074 VanDerWaalsContact O-N 3.07Å; R1071-F1075 WeakPolarHBondContact O-CD2 3.34Å
1072I59.2Low52.2Low128 Ų128142.2 Ų142.266%0.65669%0.689SS**Hα-helixtrans-59.6-29.9177.9-155.472.6000111.5D1074 F1075 V1076I1072-D1074 VanDerWaalsContact C-N 3.35Å; I1072-D1074 PolarHBondContact O-N 2.84Å; I1072-F1075 PolarHBondContact O-N 3.43Å; I1072-V1076 VanDerWaalsContact O-CG2 3.31Å; I1072-V1076 WeakPolarHBondContact O-CG2 3.44Å; I1072-V1076 PolarHBondContact O-N 3.43Å
1073N58.8Low52.9Low101 Ų101142.5 Ų142.554%0.5470%0.698SS.*Hα-helixtrans-58.8-40.6173.7-71.886.9000113.7R1071 F1075 V1076 D1077R1071-N1073 PolarHBondContact O-N 2.92Å; N1073-F1075 PolarHBondContact O-N 3.38Å; N1073-F1075 VanDerWaalsContact O-N 3.16Å; N1073-V1076 PolarHBondContact O-N 2.98Å; N1073-V1076 VanDerWaalsContact O-N 3.1Å; N1073-D1077 PolarHBondContact O-N 3.46Å; N1073-D1077 VanDerWaalsContact O-N 3.13Å
1074D60.4Low53Low78 Ų78138.3 Ų138.342%0.41770%0.7SS.*Hα-helixtrans-67.8-17.5-176.6-55.310.9000110.8R1071 I1072R1071-D1074 HydrophobicContact CB-CB 4.16Å; R1071-D1074 VanDerWaalsContact CB-CG 3.43Å; R1071-D1074 VanDerWaalsContact CB-OD1 3.25Å; R1071-D1074 WeakPolarHBondContact CB-OD1 3.38Å; R1071-D1074 WeakPolarHBondContact CD-OD1 3.46Å; R1071-D1074 VanDerWaalsContact CD-OD2 3.23Å; R1071-D1074 WeakPolarHBondContact CD-OD2 3.11Å; R1071-D1074 IonicContact NH1-OD1 3.49Å; R1071-D1074 IonicContact NH1-OD2 3.44Å; R1071-D1074 PolarHBondContact O-N 3.41Å; R1071-D1074 VanDerWaalsContact O-N 3.07Å; I1072-D1074 VanDerWaalsContact C-N 3.35Å; I1072-D1074 PolarHBondContact O-N 2.84Å
1075F54.2Low53.1Low107 Ų107136.5 Ų136.547%0.46969%0.692SS.*Hα-helixtrans-98.9-22171.9-62.9-87.4000114F1070 R1071 I1072 N1073 E1079F1070-F1075 AromaticContact CD1-CE2 3.88Å; F1070-F1075 HydrophobicContact CD1-CE2 3.88Å; F1070-F1075 AromaticContact CD1-CZ 3.97Å; F1070-F1075 HydrophobicContact CD1-CZ 3.97Å; F1070-F1075 HydrophobicContact CE1-CZ 4.44Å; R1071-F1075 WeakPolarHBondContact O-CD2 3.34Å; I1072-F1075 PolarHBondContact O-N 3.43Å; N1073-F1075 PolarHBondContact O-N 3.38Å; N1073-F1075 VanDerWaalsContact O-N 3.16Å; F1075-E1079 VanDerWaalsContact O-CB 3.32Å; F1075-E1079 WeakPolarHBondContact O-CB 3.42Å; F1075-E1079 PolarHBondContact O-N 2.88Å; F1075-E1079 VanDerWaalsContact O-N 3.07Å
1076V60.8Low53.6Low76 Ų76136.2 Ų136.246%0.46169%0.693SS.*Hα-helixtrans-79.3-29.7179.9164.60000111.6I1072 N1073 A1080I1072-V1076 VanDerWaalsContact O-CG2 3.31Å; I1072-V1076 WeakPolarHBondContact O-CG2 3.44Å; I1072-V1076 PolarHBondContact O-N 3.43Å; N1073-V1076 PolarHBondContact O-N 2.98Å; N1073-V1076 VanDerWaalsContact O-N 3.1Å; V1076-A1080 WeakPolarHBondContact O-CB 3.47Å; V1076-A1080 PolarHBondContact O-N 2.96Å
1077D58.5Low53.6Low106 Ų106132.1 Ų132.157%0.56768%0.681SS**THydrogen-bonded Turntrans-78.2-36.5175-62.7-16.3000110.5N1073 A1080N1073-D1077 PolarHBondContact O-N 3.46Å; N1073-D1077 VanDerWaalsContact O-N 3.13Å; D1077-A1080 PolarHBondContact O-N 3.42Å
1078E57.4Low54.3Low145 Ų145133.4 Ų133.468%0.67868%0.677SS**THydrogen-bonded Turntrans-71.2-33.3174.7-70.9179.3173.500113.5A1080E1078-A1080 PolarHBondContact O-N 2.74Å
1079E57.7Low54.6Low162 Ų162133 Ų13376%0.75767%0.67SS**THydrogen-bonded Turntrans-72-14.2171.7-168172.6-15500112.4F1075F1075-E1079 VanDerWaalsContact O-CB 3.32Å; F1075-E1079 WeakPolarHBondContact O-CB 3.42Å; F1075-E1079 PolarHBondContact O-N 2.88Å; F1075-E1079 VanDerWaalsContact O-N 3.07Å
1080A60.1Low54.5Low56 Ų56127.5 Ų127.546%0.46366%0.66SS.*THydrogen-bonded Turntrans-92.7-22.6-17700000114.9V1076 D1077 E1078 L1082 S1083V1076-A1080 WeakPolarHBondContact O-CB 3.47Å; V1076-A1080 PolarHBondContact O-N 2.96Å; D1077-A1080 PolarHBondContact O-N 3.42Å; E1078-A1080 PolarHBondContact O-N 2.74Å; A1080-L1082 PolarHBondContact O-N 2.82Å; A1080-S1083 PolarHBondContact O-N 2.77Å
1081E53.3Low55.1Low177 Ų177127.4 Ų127.483%0.82766%0.655SS**THydrogen-bonded Turntrans-75-6.4-178.7-66.2-164.2168.500113.9
1082L52.5Low55.5Low169 Ų169127.7 Ų127.789%0.88566%0.662SS**THydrogen-bonded Turntrans-95.713.1172.1-64.1179.4000114.2A1080A1080-L1082 PolarHBondContact O-N 2.82Å
1083S52.4Low55.5Low105 Ų105128.7 Ų128.773%0.73467%0.665SS**SBendtrans-132.962.1-176.2177.10000111.7A1080A1080-S1083 PolarHBondContact O-N 2.77Å
1084G42.7Very low55.3Low78 Ų78131.3 Ų131.380%0.80468%0.679SS**  trans-1502.7-163.400000120.6
1085D44.5Very low54.9Low117 Ų117135.4 Ų135.463%0.62670%0.701SS**  trans-131.6101.2162.8-160.1-53.9000110.7N1087 E1088D1085-N1087 VanDerWaalsContact C-N 3.35Å; D1085-N1087 WeakPolarHBondContact OD1-CA 3.31Å; D1085-N1087 VanDerWaalsContact OD1-CB 3.28Å; D1085-N1087 WeakPolarHBondContact OD1-CB 3.42Å; D1085-N1087 PolarHBondContact OD1-N 2.84Å; D1085-E1088 PolarHBondContact OD1-N 2.86Å; D1085-E1088 VanDerWaalsContact OD1-N 3.14Å
1086E56.7Low54.7Low175 Ų175139.2 Ų139.282%0.81872%0.721SS**  trans-93.3-0.8175.8-161.3171.816800110.9
1087N54.4Low54.2Low111 Ų111143.6 Ų143.659%0.59474%0.741SS**THydrogen-bonded Turntrans-95.5-25.9-164-156.4119.8000113.1D1085D1085-N1087 VanDerWaalsContact C-N 3.35Å; D1085-N1087 WeakPolarHBondContact OD1-CA 3.31Å; D1085-N1087 VanDerWaalsContact OD1-CB 3.28Å; D1085-N1087 WeakPolarHBondContact OD1-CB 3.42Å; D1085-N1087 PolarHBondContact OD1-N 2.84Å
1088E53.9Low54Low165 Ų165148.1 Ų148.177%0.77176%0.759SS**THydrogen-bonded Turntrans-81.6-21.8168.3-77.8-165154.200113.2D1085 A1090D1085-E1088 PolarHBondContact OD1-N 2.86Å; D1085-E1088 VanDerWaalsContact OD1-N 3.14Å; E1088-A1090 VanDerWaalsContact C-N 3.35Å
1089R56.1Low53.7Low197 Ų197149.4 Ų149.474%0.74377%0.769SS**G310 helixtrans-74.7-23.1176.8-177.9170.2-75.3-123.5-1.8113.4Y1091R1089-Y1091 PolarHBondContact O-N 3.18Å
1090A54.2Low53.7Low74 Ų74146.8 Ų146.861%0.61276%0.761SS**G310 helixtrans-76.91.6-173.600000115.4E1088E1088-A1090 VanDerWaalsContact C-N 3.35Å
1091Y57.9Low53.4Low180 Ų180149.9 Ų149.971%0.70678%0.776SS**G310 helixtrans-101.24.3-175.5-81.9-76000115.4R1089R1089-Y1091 PolarHBondContact O-N 3.18Å
1092F58.9Low53.4Low175 Ų175147.1 Ų147.177%0.76877%0.767SS**SBendtrans-145.630.4-172.4-63.7-75.8000114.2
1093M59.4Low53.2Low148 Ų148145.4 Ų145.473%0.72976%0.759SS**SBendtrans-144.724.8-169.4-65.9-91.57600115.1
1094D56Low53.3Low157 Ų157147.9 Ų147.984%0.8476%0.764SS**SBendtrans-122.43.4-173.1-137.424.7000114.4
1095D50.8Low54Low164 Ų164148.9 Ų148.988%0.87775%0.751SS**  trans-112.128.4-171.5-60.4-51000114.3
1096E49.8Very low54.6Low187 Ų187147.8 Ų147.887%0.87476%0.758SS**  trans-126.475.1178-81.8-146.5-133.300112.8
1097D51.9Low54.4Low167 Ų167146.3 Ų146.389%0.89376%0.756SS**  trans-164.945.4167.2-124.1-10.4000116.4
1098E53.7Low54.5Low202 Ų202146.5 Ų146.594%0.94475%0.753SS**  trans-159100.2156.2-125.1171.5-159.500114
1099L51.6Low54.7Low171 Ų171145.7 Ų145.790%0.89575%0.749SS**  trans-140.6120.2169.2-119.3164.1000108.8P1101L1099-P1101 WeakPolarHBondContact O-CD 3.47Å
1100D56.7Low54.5Low108 Ų108143.2 Ų143.258%0.57874%0.744SS**  trans-76.2119.4-168.9-167.2-13.2000111.4N1102D1100-N1102 PolarHBondContact O-N 3.17Å; D1100-N1102 PolarHBondContact OD1-ND2 2.96Å
1101P53.7Low54.5Low120 Ų120141.6 Ų141.678%0.77973%0.731SS**THydrogen-bonded Turntrans-79.342.8-176.335.2-39.5000113.3L1099L1099-P1101 WeakPolarHBondContact O-CD 3.47Å
1102N52.6Low54.3Low119 Ų119138.8 Ų138.864%0.63673%0.728SS**THydrogen-bonded Turntrans-132.3-7.7-175-70.7-80.4000116.1D1100D1100-N1102 PolarHBondContact O-N 3.17Å; D1100-N1102 PolarHBondContact OD1-ND2 2.96Å
1103D49.7Very low54.1Low134 Ų134137.2 Ų137.272%0.71773%0.727SS**  trans-79.8132.3171.7-75.4-44.3000111.1D1105D1103-D1105 PolarHBondContact O-N 2.75Å
1104D54.6Low53.9Low157 Ų157137.1 Ų137.184%0.8473%0.728SS**  trans-83.57.3-169.1-89.3-48.8000113A1106D1104-A1106 PolarHBondContact O-N 3.02Å
1105D56.2Low53.6Low99 Ų99134.5 Ų134.553%0.52971%0.714SS.*  trans-79.820.2-164.5-55.3-37.6000114.9D1103 N1107 E1108D1103-D1105 PolarHBondContact O-N 2.75Å; D1105-N1107 PolarHBondContact O-N 3.18Å; D1105-E1108 PolarHBondContact O-N 3.21Å
1106A57Low53.5Low94 Ų94136.1 Ų136.178%0.77772%0.716SS**THydrogen-bonded Turntrans-68.329.1175.700000114.5D1104D1104-A1106 PolarHBondContact O-N 3.02Å
1107N53.5Low53.5Low144 Ų144133.3 Ų133.377%0.7771%0.707SS**THydrogen-bonded Turntrans-133.1-4173.6-168.594.6000112.1D1105D1105-N1107 PolarHBondContact O-N 3.18Å
1108E55.8Low53.5Low115 Ų115131.7 Ų131.754%0.53770%0.698SS.*THydrogen-bonded Turntrans-92.6-20.5176.7-52.6-158148.700112.1D1105 F1110 A1111 D1112D1105-E1108 PolarHBondContact O-N 3.21Å; E1108-F1110 PolarHBondContact O-N 3.31Å; E1108-A1111 PolarHBondContact O-N 2.89Å; E1108-D1112 PolarHBondContact O-N 3.37Å
1109E58.3Low53.6Low148 Ų148126.3 Ų126.369%0.69268%0.683SS**THydrogen-bonded Turntrans-55.5-2.2172.4-155.3-156.6150.900115.6
1110F52.2Low53.9Low145 Ų145126 Ų12664%0.63668%0.682SS**THydrogen-bonded Turntrans-124.3-1.2173.9-92.5-89000114.2E1108E1108-F1110 PolarHBondContact O-N 3.31Å
1111A54.4Low54Low40 Ų40125.7 Ų125.733%0.33168%0.68SS.*THydrogen-bonded Turntrans-92-46.7167.700000110E1108 L1113 I1114 D1115E1108-A1111 PolarHBondContact O-N 2.89Å; A1111-L1113 PolarHBondContact O-N 2.96Å; A1111-I1114 PolarHBondContact O-N 3.38Å; A1111-D1115 PolarHBondContact O-N 3.3Å
1112D53.1Low54.2Low121 Ų121122.6 Ų122.665%0.64766%0.659SS**THydrogen-bonded Turntrans-56.9-10.6174.8-58.9-8.4000114.3E1108 I1114E1108-D1112 PolarHBondContact O-N 3.37Å; D1112-I1114 VanDerWaalsContact C-N 3.34Å
1113L55.7Low54.8Low141 Ų141121.3 Ų121.374%0.73866%0.66SS**THydrogen-bonded Turntrans-88.61174.3-151.272.8000113.5A1111A1111-L1113 PolarHBondContact O-N 2.96Å
1114I55.3Low55.9Low146 Ų146118.9 Ų118.975%0.74966%0.658SS**THydrogen-bonded Turntrans-135.5-21.2-178.7-56.6-175.9000111.9A1111 D1112A1111-I1114 PolarHBondContact O-N 3.38Å; D1112-I1114 VanDerWaalsContact C-N 3.34Å
1115D48.8Very low57.1Low102 Ų102112.9 Ų112.955%0.54563%0.634SS.*SBendtrans-92.2116-174.5-66.7-33.6000114.1A1111 D1117A1111-D1115 PolarHBondContact O-N 3.3Å; D1115-D1117 PolarHBondContact O-N 3.28Å; D1115-D1117 VanDerWaalsContact O-N 3.14Å
1116E49.3Very low58.1Low199 Ų199116.2 Ų116.293%0.9364%0.639SS**SBendtrans50.528.3150.3-53.5-159.4156.800122.8
1117D50.2Low59.3Low127 Ų127115.5 Ų115.568%0.67962%0.621SS**  trans-122.282.9174.4-138.6-29.9000116.1D1115 S1119D1115-D1117 PolarHBondContact O-N 3.28Å; D1115-D1117 VanDerWaalsContact O-N 3.14Å; D1117-S1119 VanDerWaalsContact CG-OG 3.3Å; D1117-S1119 PolarHBondContact O-N 3.27Å; D1117-S1119 VanDerWaalsContact O-N 3.12Å; D1117-S1119 WeakPolarHBondContact OD1-CB 3.43Å; D1117-S1119 PolarHBondContact OD1-N 3.16Å; D1117-S1119 PolarHBondContact OD1-OG 3.27Å
1118D50.7Low60.6Low133 Ų133114.8 Ų114.871%0.71161%0.608SS**G310 helixtrans-74.416173.2-114.9-23.3000113D1120 I1121D1118-D1120 VanDerWaalsContact C-N 3.32Å; D1118-D1120 PolarHBondContact O-N 2.98Å; D1118-I1121 HydrophobicContact CB-CD1 4.13Å; D1118-I1121 WeakPolarHBondContact O-CB 3.38Å; D1118-I1121 VanDerWaalsContact O-CG1 3.31Å; D1118-I1121 WeakPolarHBondContact O-CG1 3.39Å; D1118-I1121 PolarHBondContact O-N 2.83Å
1119S56.4Low61.9Low89 Ų89116.7 Ų116.762%0.62261%0.61SS**G310 helixtrans-72.9-14.1-17055.90000115.9D1117 I1121D1117-S1119 VanDerWaalsContact CG-OG 3.3Å; D1117-S1119 PolarHBondContact O-N 3.27Å; D1117-S1119 VanDerWaalsContact O-N 3.12Å; D1117-S1119 WeakPolarHBondContact OD1-CB 3.43Å; D1117-S1119 PolarHBondContact OD1-N 3.16Å; D1117-S1119 PolarHBondContact OD1-OG 3.27Å; S1119-I1121 PolarHBondContact O-N 3.4Å
1120D57.5Low63Low164 Ų164114.2 Ų114.288%0.87760%0.599SS**G310 helixtrans-74.1-10172.5-126.5-2.2000112.4D1118 P1122D1118-D1120 VanDerWaalsContact C-N 3.32Å; D1118-D1120 PolarHBondContact O-N 2.98Å; D1120-P1122 WeakPolarHBondContact O-CD 3.5Å
1121I58.5Low64.6Low103 Ų103112.3 Ų112.353%0.52859%0.594SS.*SBendtrans-62.7119.5164.3-61.7174.4000107.6D1118 S1119 S1123D1118-I1121 HydrophobicContact CB-CD1 4.13Å; D1118-I1121 WeakPolarHBondContact O-CB 3.38Å; D1118-I1121 VanDerWaalsContact O-CG1 3.31Å; D1118-I1121 WeakPolarHBondContact O-CG1 3.39Å; D1118-I1121 PolarHBondContact O-N 2.83Å; S1119-I1121 PolarHBondContact O-N 3.4Å; I1121-S1123 PolarHBondContact O-N 3.26Å
1122P59Low66Low55 Ų55114.2 Ų114.236%0.35760%0.596SS.*  trans-6697.9-177.126-34.1000109.9D1120 R1126 L1127D1120-P1122 WeakPolarHBondContact O-CD 3.5Å; P1122-R1126 HydrophobicContact CB-CB 4.43Å; P1122-R1126 HydrophobicContact CB-CG 4.27Å; P1122-L1127 HydrophobicContact CG-CB 4.45Å; P1122-L1127 WeakPolarHBondContact O-CB 3.06Å
1123S64.9Low67.7Low92 Ų92116.1 Ų116.164%0.64359%0.594SS**THydrogen-bonded Turntrans-27132.7-179.5169.50000112.1I1121 G1125 R1126 L1127I1121-S1123 PolarHBondContact O-N 3.26Å; S1123-G1125 CarbonylContact O-C 3.53Å; S1123-G1125 PolarHBondContact O-N 2.99Å; S1123-R1126 WeakPolarHBondContact O-CA 3.5Å; S1123-R1126 WeakPolarHBondContact O-CB 3.37Å; S1123-R1126 PolarHBondContact O-N 2.79Å; S1123-L1127 PolarHBondContact O-N 3.42Å
1124A73.1Confident69.2Low82 Ų82113.3 Ų113.368%0.67858%0.583SS**Hα-helixtrans-47.6-33-162.500000115.1R1128A1124-R1128 WeakPolarHBondContact O-CB 3.44Å; A1124-R1128 PolarHBondContact O-N 3.43Å
1125G78.8Confident70.8Confident32 Ų32112.4 Ų112.433%0.3358%0.575SS.*Hα-helixtrans-68.8-31172.800000115.7S1123 R1129S1123-G1125 CarbonylContact O-C 3.53Å; S1123-G1125 PolarHBondContact O-N 2.99Å; G1125-R1129 WeakPolarHBondContact O-CB 3.36Å; G1125-R1129 VanDerWaalsContact O-CG 3.28Å; G1125-R1129 WeakPolarHBondContact O-CG 3.32Å; G1125-R1129 PolarHBondContact O-N 3Å; G1125-R1129 VanDerWaalsContact O-N 3.16Å; G1125-R1129 PolarHBondContact O-NE 3.47Å
1126R77.7Confident72.4Confident169 Ų169110.9 Ų110.964%0.63857%0.565SS**Hα-helixtrans-71.7-46.3169.8-174.3176.9178.1113-6.5110.9P1122 S1123 R1129 Q1130P1122-R1126 HydrophobicContact CB-CB 4.43Å; P1122-R1126 HydrophobicContact CB-CG 4.27Å; S1123-R1126 WeakPolarHBondContact O-CA 3.5Å; S1123-R1126 WeakPolarHBondContact O-CB 3.37Å; S1123-R1126 PolarHBondContact O-N 2.79Å; R1126-R1129 CarbonylContact O-C 3.57Å; R1126-R1129 PolarHBondContact O-N 3.31Å; R1126-Q1130 PolarHBondContact O-N 3.31Å
1127L81.2Confident74.1Confident78 Ų78109.5 Ų109.541%0.40855%0.551SS.*Hα-helixtrans-61.8-46.2175.1-178.958.3000111.6P1122 S1123 R1129 Q1130 I1131P1122-L1127 HydrophobicContact CG-CB 4.45Å; P1122-L1127 WeakPolarHBondContact O-CB 3.06Å; S1123-L1127 PolarHBondContact O-N 3.42Å; L1127-R1129 VanDerWaalsContact C-N 3.35Å; L1127-R1129 PolarHBondContact O-N 2.9Å; L1127-Q1130 WeakPolarHBondContact O-CA 3.44Å; L1127-Q1130 WeakPolarHBondContact O-CB 3.45Å; L1127-Q1130 PolarHBondContact O-N 2.97Å; L1127-I1131 HydrophobicContact CD1-CD1 4.08Å; L1127-I1131 HydrophobicContact CD1-CG1 4.24Å; L1127-I1131 HydrophobicContact CG-CD1 3.92Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.26Å; L1127-I1131 PolarHBondContact O-N 2.85Å
1128R82.6Confident76Confident130 Ų130108.8 Ų108.849%0.49155%0.546SS..Hα-helixtrans-53.5-49.3172.6-173.9-171.6174.3-67-10.8111.3A1124 Q1130 I1131 E1132A1124-R1128 WeakPolarHBondContact O-CB 3.44Å; A1124-R1128 PolarHBondContact O-N 3.43Å; R1128-Q1130 PolarHBondContact O-N 3.41Å; R1128-I1131 PolarHBondContact O-N 3.43Å; R1128-E1132 IonicContact CZ-OE1 3.71Å; R1128-E1132 VanDerWaalsContact CZ-OE1 3.27Å; R1128-E1132 IonicContact CZ-OE2 3.55Å; R1128-E1132 IonicContact NH1-OE1 2.74Å; R1128-E1132 PolarHBondContact NH1-OE1 3Å; R1128-E1132 IonicContact NH1-OE2 2.78Å; R1128-E1132 PolarHBondContact NH1-OE2 3.31Å; R1128-E1132 IonicContact NH2-OE1 2.71Å; R1128-E1132 PolarHBondContact NH2-OE1 3.07Å; R1128-E1132 WeakPolarHBondContact O-CB 3.32Å; R1128-E1132 PolarHBondContact O-N 3.44Å
1129R82.4Confident77.7Confident155 Ų155106.9 Ų106.959%0.58553%0.533SS*.Hα-helixtrans-67.6-15.1176.9-76.1177.4-71.4-171.5-0.4114G1125 R1126 L1127 R1133G1125-R1129 WeakPolarHBondContact O-CB 3.36Å; G1125-R1129 VanDerWaalsContact O-CG 3.28Å; G1125-R1129 WeakPolarHBondContact O-CG 3.32Å; G1125-R1129 PolarHBondContact O-N 3Å; G1125-R1129 VanDerWaalsContact O-N 3.16Å; G1125-R1129 PolarHBondContact O-NE 3.47Å; R1126-R1129 CarbonylContact O-C 3.57Å; R1126-R1129 PolarHBondContact O-N 3.31Å; L1127-R1129 VanDerWaalsContact C-N 3.35Å; L1127-R1129 PolarHBondContact O-N 2.9Å; R1129-R1133 VanDerWaalsContact O-CG 3.29Å; R1129-R1133 WeakPolarHBondContact O-CG 3.36Å; R1129-R1133 PolarHBondContact O-NE 2.88Å
1130Q81Confident79Confident96 Ų96105 Ų10545%0.44952%0.518SS..Hα-helixtrans-85.5-46.1170.6-174.2155.4-41.400111.3R1126 L1127 R1128 E1132 R1133 V1134R1126-Q1130 PolarHBondContact O-N 3.31Å; L1127-Q1130 WeakPolarHBondContact O-CA 3.44Å; L1127-Q1130 WeakPolarHBondContact O-CB 3.45Å; L1127-Q1130 PolarHBondContact O-N 2.97Å; R1128-Q1130 PolarHBondContact O-N 3.41Å; Q1130-E1132 VanDerWaalsContact C-N 3.34Å; Q1130-E1132 PolarHBondContact O-N 2.88Å; Q1130-R1133 PolarHBondContact O-N 3Å; Q1130-V1134 WeakPolarHBondContact O-CG2 3.36Å; Q1130-V1134 PolarHBondContact O-N 2.72Å
1131I85.4Confident80.5Confident105 Ų105100.8 Ų100.854%0.53850%0.495SS..Hα-helixtrans-60-44.5174.4-65.3168.8000110.6L1127 R1128 R1133 V1134 H1135L1127-I1131 HydrophobicContact CD1-CD1 4.08Å; L1127-I1131 HydrophobicContact CD1-CG1 4.24Å; L1127-I1131 HydrophobicContact CG-CD1 3.92Å; L1127-I1131 WeakPolarHBondContact O-CG1 3.26Å; L1127-I1131 PolarHBondContact O-N 2.85Å; R1128-I1131 PolarHBondContact O-N 3.43Å; I1131-R1133 VanDerWaalsContact C-N 3.34Å; I1131-R1133 PolarHBondContact O-N 3.33Å; I1131-V1134 PolarHBondContact O-N 3.44Å; I1131-V1134 VanDerWaalsContact O-N 3.16Å; I1131-H1135 WeakPolarHBondContact O-CB 3.42Å; I1131-H1135 PolarHBondContact O-N 3.48Å
1132E84.6Confident81.9Confident80 Ų8099.6 Ų99.637%0.37449%0.487SS..Hα-helixtrans-61.9-37.3177.8-171.5169.2-125.400112.3R1128 Q1130 H1136R1128-E1132 IonicContact CZ-OE1 3.71Å; R1128-E1132 VanDerWaalsContact CZ-OE1 3.27Å; R1128-E1132 IonicContact CZ-OE2 3.55Å; R1128-E1132 IonicContact NH1-OE1 2.74Å; R1128-E1132 PolarHBondContact NH1-OE1 3Å; R1128-E1132 IonicContact NH1-OE2 2.78Å; R1128-E1132 PolarHBondContact NH1-OE2 3.31Å; R1128-E1132 IonicContact NH2-OE1 2.71Å; R1128-E1132 PolarHBondContact NH2-OE1 3.07Å; R1128-E1132 WeakPolarHBondContact O-CB 3.32Å; R1128-E1132 PolarHBondContact O-N 3.44Å; Q1130-E1132 VanDerWaalsContact C-N 3.34Å; Q1130-E1132 PolarHBondContact O-N 2.88Å; E1132-H1136 WeakPolarHBondContact O-CB 3.46Å; E1132-H1136 PolarHBondContact O-N 2.92Å
1133R87.6Confident83.4Confident160 Ų16099.5 Ų99.560%0.60448%0.484SS*.Hα-helixtrans-68.8-40.6172-78.6-178.8-66.1153.13.9112.7R1129 Q1130 I1131 R1137R1129-R1133 VanDerWaalsContact O-CG 3.29Å; R1129-R1133 WeakPolarHBondContact O-CG 3.36Å; R1129-R1133 PolarHBondContact O-NE 2.88Å; Q1130-R1133 PolarHBondContact O-N 3Å; I1131-R1133 VanDerWaalsContact C-N 3.34Å; I1131-R1133 PolarHBondContact O-N 3.33Å; R1133-R1137 WeakPolarHBondContact O-CB 3.46Å; R1133-R1137 PolarHBondContact O-N 2.84Å
1134V88.2Confident84.4Confident82 Ų82100.3 Ų100.350%0.49748%0.481SS..Hα-helixtrans-67.8-43.1177.1172.10000110.7Q1130 I1131 R1137 L1138Q1130-V1134 WeakPolarHBondContact O-CG2 3.36Å; Q1130-V1134 PolarHBondContact O-N 2.72Å; I1131-V1134 PolarHBondContact O-N 3.44Å; I1131-V1134 VanDerWaalsContact O-N 3.16Å; V1134-R1137 PolarHBondContact O-N 2.95Å; V1134-L1138 HydrophobicContact CG1-CD1 3.96Å; V1134-L1138 HydrophobicContact CG1-CG 4.42Å; V1134-L1138 WeakPolarHBondContact O-CG 3.37Å; V1134-L1138 PolarHBondContact O-N 3.06Å
1135H89.2Confident85Confident128 Ų128104.6 Ų104.659%0.59348%0.479SS*.Hα-helixtrans-60.8-48.3175.5-175-76.6000111.7I1131 R1137 L1138 Q1139I1131-H1135 WeakPolarHBondContact O-CB 3.42Å; I1131-H1135 PolarHBondContact O-N 3.48Å; H1135-R1137 VanDerWaalsContact C-N 3.3Å; H1135-R1137 PolarHBondContact O-N 2.92Å; H1135-L1138 PolarHBondContact O-N 3.07Å; H1135-Q1139 PolarHBondContact O-N 3.19Å
1136H81.5Confident85.4Confident70 Ų70107.6 Ų107.632%0.32449%0.485SS..Hα-helixtrans-60.9-38.9175.7-173.6-39000111.7E1132 Q1139 T1140E1132-H1136 WeakPolarHBondContact O-CB 3.46Å; E1132-H1136 PolarHBondContact O-N 2.92Å; H1136-Q1139 PolarHBondContact O-N 3.26Å; H1136-T1140 PolarHBondContact O-N 3.01Å; H1136-T1140 PolarHBondContact O-OG1 2.83Å
1137R86.6Confident85.6Confident170 Ų170102.4 Ų102.464%0.64247%0.469SS*.Hα-helixtrans-64-46.6175.4-179.8176.6177.1166.94.2111.8R1133 V1134 H1135 Q1139 T1140 D1141R1133-R1137 WeakPolarHBondContact O-CB 3.46Å; R1133-R1137 PolarHBondContact O-N 2.84Å; V1134-R1137 PolarHBondContact O-N 2.95Å; H1135-R1137 VanDerWaalsContact C-N 3.3Å; H1135-R1137 PolarHBondContact O-N 2.92Å; R1137-Q1139 VanDerWaalsContact C-N 3.29Å; R1137-Q1139 PolarHBondContact O-N 3.14Å; R1137-T1140 WeakPolarHBondContact CA-OG1 3.4Å; R1137-T1140 PolarHBondContact O-N 3.12Å; R1137-T1140 PolarHBondContact O-OG1 3.43Å; R1137-D1141 WeakPolarHBondContact CG-OD2 3.35Å; R1137-D1141 IonicContact NE-OD2 2.76Å; R1137-D1141 PolarHBondContact NE-OD2 2.67Å; R1137-D1141 WeakPolarHBondContact O-CB 3.29Å; R1137-D1141 VanDerWaalsContact O-CG 3.25Å; R1137-D1141 PolarHBondContact O-N 3.31Å
1138L88.9Confident85.5Confident112 Ų112107.2 Ų107.259%0.58648%0.482SS*.Hα-helixtrans-61.4-38.3177.3-72.2169.9000111.8V1134 H1135 Q1142V1134-L1138 HydrophobicContact CG1-CD1 3.96Å; V1134-L1138 HydrophobicContact CG1-CG 4.42Å; V1134-L1138 WeakPolarHBondContact O-CG 3.37Å; V1134-L1138 PolarHBondContact O-N 3.06Å; H1135-L1138 PolarHBondContact O-N 3.07Å; L1138-Q1142 VanDerWaalsContact O-CB 3.31Å; L1138-Q1142 WeakPolarHBondContact O-CB 3.28Å; L1138-Q1142 PolarHBondContact O-N 2.81Å
1139Q85.8Confident85.5Confident93 Ų93107.3 Ų107.344%0.43548%0.483SS..Hα-helixtrans-60.6-52.5171.8-17165.955.600110.7H1135 H1136 R1137 D1141 Q1142 D1143H1135-Q1139 PolarHBondContact O-N 3.19Å; H1136-Q1139 PolarHBondContact O-N 3.26Å; R1137-Q1139 VanDerWaalsContact C-N 3.29Å; R1137-Q1139 PolarHBondContact O-N 3.14Å; Q1139-D1141 VanDerWaalsContact C-N 3.32Å; Q1139-D1141 PolarHBondContact O-N 2.75Å; Q1139-Q1142 CarbonylContact O-C 3.58Å; Q1139-Q1142 WeakPolarHBondContact O-CA 3.35Å; Q1139-Q1142 WeakPolarHBondContact O-CB 3.37Å; Q1139-Q1142 PolarHBondContact O-N 2.82Å; Q1139-Q1142 VanDerWaalsContact O-N 3.07Å; Q1139-D1143 PolarHBondContact NE2-OD1 2.82Å; Q1139-D1143 PolarHBondContact O-N 3.33Å
1140T83.8Confident85.5Confident50 Ų50103.6 Ų103.631%0.30748%0.475SS..Hα-helixtrans-64.7-33.1-18049.10000113.7H1136 R1137 Q1142 L1144H1136-T1140 PolarHBondContact O-N 3.01Å; H1136-T1140 PolarHBondContact O-OG1 2.83Å; R1137-T1140 WeakPolarHBondContact CA-OG1 3.4Å; R1137-T1140 PolarHBondContact O-N 3.12Å; R1137-T1140 PolarHBondContact O-OG1 3.43Å; T1140-Q1142 VanDerWaalsContact C-N 3.32Å; T1140-L1144 VanDerWaalsContact O-CB 3.23Å; T1140-L1144 WeakPolarHBondContact O-CB 3.17Å; T1140-L1144 PolarHBondContact O-N 2.58Å
1141D88.9Confident85.3Confident74 Ų74103.2 Ų103.240%0.39647%0.472SS..Hα-helixtrans-72.1-27.4175.9-69.7-16.4000111.4R1137 Q1139 R1145R1137-D1141 WeakPolarHBondContact CG-OD2 3.35Å; R1137-D1141 IonicContact NE-OD2 2.76Å; R1137-D1141 PolarHBondContact NE-OD2 2.67Å; R1137-D1141 WeakPolarHBondContact O-CB 3.29Å; R1137-D1141 VanDerWaalsContact O-CG 3.25Å; R1137-D1141 PolarHBondContact O-N 3.31Å; Q1139-D1141 VanDerWaalsContact C-N 3.32Å; Q1139-D1141 PolarHBondContact O-N 2.75Å; D1141-R1145 WeakPolarHBondContact O-CB 3.43Å; D1141-R1145 PolarHBondContact O-N 3.47Å
1142Q89Confident85Confident78 Ų78103.9 Ų103.936%0.36447%0.472SS..Hα-helixtrans-78.3-47.2171.2179.761.718.100111.7L1138 Q1139 T1140 L1144 R1145 E1146L1138-Q1142 VanDerWaalsContact O-CB 3.31Å; L1138-Q1142 WeakPolarHBondContact O-CB 3.28Å; L1138-Q1142 PolarHBondContact O-N 2.81Å; Q1139-Q1142 CarbonylContact O-C 3.58Å; Q1139-Q1142 WeakPolarHBondContact O-CA 3.35Å; Q1139-Q1142 WeakPolarHBondContact O-CB 3.37Å; Q1139-Q1142 PolarHBondContact O-N 2.82Å; Q1139-Q1142 VanDerWaalsContact O-N 3.07Å; T1140-Q1142 VanDerWaalsContact C-N 3.32Å; Q1142-L1144 VanDerWaalsContact C-N 3.26Å; Q1142-L1144 PolarHBondContact O-N 2.79Å; Q1142-R1145 CarbonylContact O-C 3.44Å; Q1142-R1145 WeakPolarHBondContact O-CA 3.43Å; Q1142-R1145 WeakPolarHBondContact O-CB 3.49Å; Q1142-R1145 PolarHBondContact O-N 3.36Å; Q1142-E1146 PolarHBondContact NE2-OE1 2.86Å; Q1142-E1146 PolarHBondContact O-N 3.23Å
1143D91.4Very high84.7Confident53 Ų53104.8 Ų104.828%0.28348%0.479SS..Hα-helixtrans-56-42.5175.9-58.8-19.9000110.6Q1139 E1146 L1147Q1139-D1143 PolarHBondContact NE2-OD1 2.82Å; Q1139-D1143 PolarHBondContact O-N 3.33Å; D1143-E1146 PolarHBondContact O-N 2.88Å; D1143-L1147 WeakPolarHBondContact O-CB 3.46Å; D1143-L1147 VanDerWaalsContact O-CG 3.32Å; D1143-L1147 WeakPolarHBondContact O-CG 3.42Å; D1143-L1147 PolarHBondContact O-N 2.92Å
1144L83.9Confident83.8Confident110 Ų110105.5 Ų105.558%0.57648%0.483SS*.Hα-helixtrans-69.1-31.8176.9-17661000112.9T1140 Q1142 R1148T1140-L1144 VanDerWaalsContact O-CB 3.23Å; T1140-L1144 WeakPolarHBondContact O-CB 3.17Å; T1140-L1144 PolarHBondContact O-N 2.58Å; Q1142-L1144 VanDerWaalsContact C-N 3.26Å; Q1142-L1144 PolarHBondContact O-N 2.79Å; L1144-R1148 WeakPolarHBondContact O-CB 3.29Å; L1144-R1148 PolarHBondContact O-N 3.31Å
1145R85.6Confident82.8Confident172 Ų172104.1 Ų104.165%0.64947%0.471SS*.Hα-helixtrans-69-42.5172.3-178.8-170.4-59.4-106.8-2.5111D1141 Q1142 R1148 Y1149D1141-R1145 WeakPolarHBondContact O-CB 3.43Å; D1141-R1145 PolarHBondContact O-N 3.47Å; Q1142-R1145 CarbonylContact O-C 3.44Å; Q1142-R1145 WeakPolarHBondContact O-CA 3.43Å; Q1142-R1145 WeakPolarHBondContact O-CB 3.49Å; Q1142-R1145 PolarHBondContact O-N 3.36Å; R1145-R1148 PolarHBondContact O-N 3.33Å; R1145-Y1149 WeakPolarHBondContact O-CB 3.43Å; R1145-Y1149 PolarHBondContact O-N 2.81Å
1146E87.7Confident81.3Confident95 Ų95105.6 Ų105.644%0.44448%0.478SS..Hα-helixtrans-66.8-44.6175.9-71.8-178.1-156.900111.2Q1142 D1143 R1148 Y1149 L1150Q1142-E1146 PolarHBondContact NE2-OE1 2.86Å; Q1142-E1146 PolarHBondContact O-N 3.23Å; D1143-E1146 PolarHBondContact O-N 2.88Å; E1146-R1148 VanDerWaalsContact C-N 3.29Å; E1146-R1148 PolarHBondContact O-N 3.39Å; E1146-Y1149 CarbonylContact O-C 3.57Å; E1146-Y1149 PolarHBondContact O-N 3.33Å; E1146-Y1149 VanDerWaalsContact O-N 3.1Å; E1146-L1150 WeakPolarHBondContact O-CD1 3.49Å; E1146-L1150 PolarHBondContact O-N 2.82Å
1147L82.7Confident79.4Confident59 Ų59109.6 Ų109.631%0.30950%0.502SS..Hα-helixtrans-58.1-39.1171.9-75.1173000112.4L136 D1143 K1151L136-L1147 HydrophobicContact CD1-CD1 3.88Å; L136-L1147 HydrophobicContact CD1-CG 4.47Å; L136-L1147 HydrophobicContact CG-CD1 4.07Å; D1143-L1147 WeakPolarHBondContact O-CB 3.46Å; D1143-L1147 VanDerWaalsContact O-CG 3.32Å; D1143-L1147 WeakPolarHBondContact O-CG 3.42Å; D1143-L1147 PolarHBondContact O-N 2.92Å; L1147-K1151 WeakPolarHBondContact O-CB 3.43Å; L1147-K1151 PolarHBondContact O-N 3.27Å
1148R79Confident77.4Confident179 Ų179103.6 Ų103.668%0.67549%0.493SS*.Hα-helixtrans-64.1-45173.1-179.8179.3-69.2-112.41.1111.4L1144 R1145 E1146 K1151 E1152L1144-R1148 WeakPolarHBondContact O-CB 3.29Å; L1144-R1148 PolarHBondContact O-N 3.31Å; R1145-R1148 PolarHBondContact O-N 3.33Å; E1146-R1148 VanDerWaalsContact C-N 3.29Å; E1146-R1148 PolarHBondContact O-N 3.39Å; R1148-K1151 CarbonylContact O-C 3.22Å; R1148-K1151 WeakPolarHBondContact O-CB 3.42Å; R1148-K1151 PolarHBondContact O-N 3.13Å; R1148-E1152 WeakPolarHBondContact O-CB 3.4Å; R1148-E1152 PolarHBondContact O-N 3.31Å
1149Y81.7Confident75.4Confident132 Ų132101.3 Ų101.352%0.51848%0.481SS..Hα-helixtrans-65.2-42.9178.5174-114000112.6R1145 E1146 K1151 E1152 L1153R1145-Y1149 WeakPolarHBondContact O-CB 3.43Å; R1145-Y1149 PolarHBondContact O-N 2.81Å; E1146-Y1149 CarbonylContact O-C 3.57Å; E1146-Y1149 PolarHBondContact O-N 3.33Å; E1146-Y1149 VanDerWaalsContact O-N 3.1Å; Y1149-K1151 VanDerWaalsContact C-N 3.32Å; Y1149-K1151 PolarHBondContact O-N 3.42Å; Y1149-E1152 WeakPolarHBondContact O-CB 3Å; Y1149-E1152 PolarHBondContact O-N 3.28Å; Y1149-E1152 VanDerWaalsContact O-N 3.16Å; Y1149-L1153 HydrophobicContact CD1-CD1 4.01Å; Y1149-L1153 HydrophobicContact CD2-CG 4.45Å; Y1149-L1153 HydrophobicContact CE1-CD1 3.51Å; Y1149-L1153 HydrophobicContact CE1-CG 4.3Å; Y1149-L1153 HydrophobicContact CE2-CD1 4.18Å; Y1149-L1153 HydrophobicContact CE2-CD2 4.3Å; Y1149-L1153 HydrophobicContact CE2-CG 4.09Å; Y1149-L1153 WeakPolarHBondContact O-CG 3.31Å; Y1149-L1153 PolarHBondContact O-N 3.06Å
1150L83.8Confident73.7Confident78 Ų78101.3 Ų101.341%0.40848%0.483SS..Hα-helixtrans-62.1-39.5171.6-88.278.6000111.4E1146 E1152 L1153 Y1154E1146-L1150 WeakPolarHBondContact O-CD1 3.49Å; E1146-L1150 PolarHBondContact O-N 2.82Å; L1150-E1152 VanDerWaalsContact C-N 3.27Å; L1150-E1152 PolarHBondContact O-N 2.92Å; L1150-L1153 PolarHBondContact O-N 2.79Å; L1150-Y1154 HydrophobicContact CB-CD2 4.19Å; L1150-Y1154 HydrophobicContact CB-CE2 4.39Å; L1150-Y1154 HydrophobicContact CD2-CE2 4.14Å; L1150-Y1154 HydrophobicContact CG-CD2 4.43Å; L1150-Y1154 HydrophobicContact CG-CE2 4.13Å; L1150-Y1154 WeakPolarHBondContact O-CB 3.4Å; L1150-Y1154 VanDerWaalsContact O-CD2 3.23Å; L1150-Y1154 WeakPolarHBondContact O-CD2 3.28Å; L1150-Y1154 PolarHBondContact O-N 2.81Å
1151K77.1Confident72Confident88 Ų88103 Ų10338%0.38349%0.488SS..Hα-helixtrans-67.9-23.6175.1169.9167.1143170.80113.2R130 L1147 R1148 Y1149 F1155R130-K1151 WeakPolarHBondContact O-CE 3.24Å; R130-K1151 PolarHBondContact O-NZ 2.87Å; L1147-K1151 WeakPolarHBondContact O-CB 3.43Å; L1147-K1151 PolarHBondContact O-N 3.27Å; R1148-K1151 CarbonylContact O-C 3.22Å; R1148-K1151 WeakPolarHBondContact O-CB 3.42Å; R1148-K1151 PolarHBondContact O-N 3.13Å; Y1149-K1151 VanDerWaalsContact C-N 3.32Å; Y1149-K1151 PolarHBondContact O-N 3.42Å; K1151-F1155 HydrophobicContact CB-CD2 4.49Å; K1151-F1155 HydrophobicContact CG-CD2 4.17Å; K1151-F1155 WeakPolarHBondContact O-CB 3.41Å; K1151-F1155 VanDerWaalsContact O-CD2 3.31Å; K1151-F1155 WeakPolarHBondContact O-CD2 3.2Å
1152E77.6Confident69.9Low119 Ų119101.6 Ų101.656%0.55649%0.486SS*.Hα-helixtrans-81.5-43172.2-161160.9-156.700110.7R1148 Y1149 L1150R1148-E1152 WeakPolarHBondContact O-CB 3.4Å; R1148-E1152 PolarHBondContact O-N 3.31Å; Y1149-E1152 WeakPolarHBondContact O-CB 3Å; Y1149-E1152 PolarHBondContact O-N 3.28Å; Y1149-E1152 VanDerWaalsContact O-N 3.16Å; L1150-E1152 VanDerWaalsContact C-N 3.27Å; L1150-E1152 PolarHBondContact O-N 2.92Å
1153L78.3Confident67.9Low99 Ų99106.2 Ų106.252%0.51851%0.508SS..Hα-helixtrans-63.2-49.2175.2-75175.6000114.1Y1149 L1150Y1149-L1153 HydrophobicContact CD1-CD1 4.01Å; Y1149-L1153 HydrophobicContact CD2-CG 4.45Å; Y1149-L1153 HydrophobicContact CE1-CD1 3.51Å; Y1149-L1153 HydrophobicContact CE1-CG 4.3Å; Y1149-L1153 HydrophobicContact CE2-CD1 4.18Å; Y1149-L1153 HydrophobicContact CE2-CD2 4.3Å; Y1149-L1153 HydrophobicContact CE2-CG 4.09Å; Y1149-L1153 WeakPolarHBondContact O-CG 3.31Å; Y1149-L1153 PolarHBondContact O-N 3.06Å; L1150-L1153 PolarHBondContact O-N 2.79Å
1154Y69.8Low65.6Low175 Ų175111 Ų11169%0.68653%0.534SS*.SBendtrans-85.8-6.1-172.7-71.4-65000114L1150L1150-Y1154 HydrophobicContact CB-CD2 4.19Å; L1150-Y1154 HydrophobicContact CB-CE2 4.39Å; L1150-Y1154 HydrophobicContact CD2-CE2 4.14Å; L1150-Y1154 HydrophobicContact CG-CD2 4.43Å; L1150-Y1154 HydrophobicContact CG-CE2 4.13Å; L1150-Y1154 WeakPolarHBondContact O-CB 3.4Å; L1150-Y1154 VanDerWaalsContact O-CD2 3.23Å; L1150-Y1154 WeakPolarHBondContact O-CD2 3.28Å; L1150-Y1154 PolarHBondContact O-N 2.81Å
1155F65.8Low64.1Low53 Ų53109 Ų10923%0.23254%0.54CS..SBendtrans-13286.6177.2-54.5-62.1000110.7Q126 V129 R130 K1151Q126-F1155 HydrophobicContact CG-CD1 4.1Å; V129-F1155 HydrophobicContact CG1-CE1 3.96Å; V129-F1155 HydrophobicContact CG1-CE2 4.19Å; V129-F1155 HydrophobicContact CG1-CZ 3.46Å; V129-F1155 VanDerWaalsContact CG1-CZ 3.46Å; R130-F1155 HydrophobicContact CG-CB 3.71Å; R130-F1155 HydrophobicContact CG-CD2 3.9Å; R130-F1155 HydrophobicContact CG-CG 3.8Å; R130-F1155 PolarHBondContact NH1-O 2.73Å; K1151-F1155 HydrophobicContact CB-CD2 4.49Å; K1151-F1155 HydrophobicContact CG-CD2 4.17Å; K1151-F1155 WeakPolarHBondContact O-CB 3.41Å; K1151-F1155 VanDerWaalsContact O-CD2 3.31Å; K1151-F1155 WeakPolarHBondContact O-CD2 3.2Å
1156E58.6Low62.3Low159 Ų159110.3 Ų110.374%0.74355%0.545SS*.  trans-36.1139.5-178.1-60176.2146.400114.9R130R130-E1156 VanDerWaalsContact CZ-O 3.26Å; R130-E1156 PolarHBondContact NH1-O 2.92Å; R130-E1156 PolarHBondContact NH2-O 3.13Å
1157D42.4Very low60.6Low154 Ų154108.5 Ų108.582%0.82454%0.54SS*.  trans-49.2136.2-168.1-99.4-45.3000116.4
1158G44.4Very low58.8Low44 Ų44113.2 Ų113.245%0.45455%0.553SS.*  trans-138.283.1179.700000113.7L1160G1158-L1160 PolarHBondContact O-N 2.74Å
1159D46.7Very low57.4Low64 Ų64111.5 Ų111.534%0.34255%0.553SS.*  trans-71.147.2163.5179.131.6000111.3R1168 R1170D1159-R1168 WeakPolarHBondContact O-CB 3.44Å; D1159-R1168 IonicContact OD1-NH1 2.71Å; D1159-R1170 VanDerWaalsContact OD2-CD 3.31Å; D1159-R1170 WeakPolarHBondContact OD2-CD 3.28Å; D1159-R1170 WeakPolarHBondContact OD2-CG 3.39Å; D1159-R1170 IonicContact OD2-NE 3.2Å
1160L49.5Very low56Low92 Ų92113.5 Ų113.548%0.48256%0.56SS.*  trans-141.7143.9-177-77.592000108.9G1158 V1167G1158-L1160 PolarHBondContact O-N 2.74Å; L1160-V1167 HydrophobicContact CD2-CB 4.49Å; L1160-V1167 HydrophobicContact CD2-CG1 3.59Å; L1160-V1167 HydrophobicContact CD2-CG2 4.21Å; L1160-V1167 HydrophobicContact CG-CG1 4.02Å
1161H47.3Very low54.3Low86 Ų86119.9 Ų119.940%0.39858%0.578SS.*  trans90.374.2-179.6-48.6-61.2000116.8
1162A46.8Very low52.8Low44 Ų44122.3 Ų122.336%0.36459%0.589SS.*  trans-69142.8144.600000109.1N1164 G1165 R1168A1162-N1164 PolarHBondContact O-N 2.95Å; A1162-G1165 PolarHBondContact O-N 3.21Å; A1162-R1168 HydrophobicContact CB-CG 4.4Å
1163E46.1Very low51.6Low175 Ų175124 Ų12482%0.81859%0.59SS**THydrogen-bonded Turntrans-58-18.2-165.7-156.1-173142.400115.7G1165E1163-G1165 PolarHBondContact O-N 2.85Å
1164N43.4Very low49.9Very low155 Ų155127.7 Ų127.783%0.82960%0.598SS**THydrogen-bonded Turntrans-74.316.6-179.2-74.8-43.1000115.2A1162 R1166A1162-N1164 PolarHBondContact O-N 2.95Å; N1164-R1166 PolarHBondContact O-N 3.45Å
1165G51Low49.1Very low68 Ų68128.8 Ų128.870%0.70160%0.601SS**SBendtrans66.5-11.1-177.400000115A1162 E1163 V1167A1162-G1165 PolarHBondContact O-N 3.21Å; E1163-G1165 PolarHBondContact O-N 2.85Å; G1165-V1167 PolarHBondContact O-N 2.59Å
1166R49Very low48.5Very low199 Ų199129.2 Ų129.275%0.75162%0.62SS**  trans-77.3106.8166.9176.8169.9-75.7-152.7-3.6108N1164 R1168N1164-R1166 PolarHBondContact O-N 3.45Å; R1166-R1168 PolarHBondContact O-N 2.89Å
1167V52.1Low47.9Very low57 Ų57126.9 Ų126.935%0.34561%0.612SS.*  trans-31.6128.9158.7162.40000109.8L1160 G1165 Q1169L1160-V1167 HydrophobicContact CD2-CB 4.49Å; L1160-V1167 HydrophobicContact CD2-CG1 3.59Å; L1160-V1167 HydrophobicContact CD2-CG2 4.21Å; L1160-V1167 HydrophobicContact CG-CG1 4.02Å; G1165-V1167 PolarHBondContact O-N 2.59Å; V1167-Q1169 HydrophobicContact CG1-CG 4.27Å; V1167-Q1169 PolarHBondContact O-N 3.4Å
1168R44.8Very low48.2Very low157 Ų157126 Ų12659%0.59261%0.607SS**  trans-62.689.8160.7-106.7-178169.5-123.71.4105.6D1159 A1162 R1166 R1170D1159-R1168 WeakPolarHBondContact O-CB 3.44Å; D1159-R1168 IonicContact OD1-NH1 2.71Å; A1162-R1168 HydrophobicContact CB-CG 4.4Å; R1166-R1168 PolarHBondContact O-N 2.89Å; R1168-R1170 VanDerWaalsContact C-N 3.31Å; R1168-R1170 PolarHBondContact O-N 3.36Å
1169Q49.9Very low48.2Very low144 Ų144131.8 Ų131.867%0.67363%0.627SS**  trans-61.9107.4163.9-75.6-176.3-39.500104V1167 R1171V1167-Q1169 HydrophobicContact CG1-CG 4.27Å; V1167-Q1169 PolarHBondContact O-N 3.4Å; Q1169-R1171 HydrophobicContact CB-CG 4.25Å; Q1169-R1171 WeakPolarHBondContact O-CG 3.33Å; Q1169-R1171 PolarHBondContact O-N 3.22Å
1170R51.9Low48.1Very low174 Ų174135.3 Ų135.366%0.65765%0.646SS**  trans-59.685.7165.1-170.7175.3-177.7176.42.4106.1D1159 R1168 F1172D1159-R1170 VanDerWaalsContact OD2-CD 3.31Å; D1159-R1170 WeakPolarHBondContact OD2-CD 3.28Å; D1159-R1170 WeakPolarHBondContact OD2-CG 3.39Å; D1159-R1170 IonicContact OD2-NE 3.2Å; R1168-R1170 VanDerWaalsContact C-N 3.31Å; R1168-R1170 PolarHBondContact O-N 3.36Å; R1170-F1172 HydrophobicContact CG-CD2 4.25Å; R1170-F1172 HydrophobicContact CG-CE2 4.19Å; R1170-F1172 PolarHBondContact O-N 2.8Å
1171R48.7Very low48.1Very low211 Ų211134.7 Ų134.780%0.79664%0.643SS**  trans-70.876.1-176.2-75.2-178.372.8-170.74.3107.2Q1169 R1173Q1169-R1171 HydrophobicContact CB-CG 4.25Å; Q1169-R1171 WeakPolarHBondContact O-CG 3.33Å; Q1169-R1171 PolarHBondContact O-N 3.22Å; R1171-R1173 VanDerWaalsContact O-CG 3.29Å; R1171-R1173 WeakPolarHBondContact O-CG 3.24Å; R1171-R1173 PolarHBondContact O-N 3.25Å
1172F45.5Very low48.2Very low140 Ų140134.8 Ų134.861%0.61465%0.652SS**  trans-46.9108.7162.8-91.6-88.9000106.9R1170 W1174R1170-F1172 HydrophobicContact CG-CD2 4.25Å; R1170-F1172 HydrophobicContact CG-CE2 4.19Å; R1170-F1172 PolarHBondContact O-N 2.8Å; F1172-W1174 PolarHBondContact O-N 2.81Å
1173R51.3Low48.3Very low154 Ų154140.2 Ų140.258%0.58167%0.668SS**  trans-79.564.9-176.5-59.2-173.175.4166.64.2108.7D564 R1171 R1175D564-R1173 IonicContact OD1-NH1 2.8Å; D564-R1173 IonicContact OD2-NH1 2.74Å; R1171-R1173 VanDerWaalsContact O-CG 3.29Å; R1171-R1173 WeakPolarHBondContact O-CG 3.24Å; R1171-R1173 PolarHBondContact O-N 3.25Å; R1173-R1175 PolarHBondContact O-N 3.27Å
1174W42.7Very low48.6Very low176 Ų176136.4 Ų136.467%0.66766%0.656SS**  trans-6282.1166.1-72.595.4000109F1172 G1176 L1177F1172-W1174 PolarHBondContact O-N 2.81Å; W1174-G1176 VanDerWaalsContact C-N 3.29Å; W1174-G1176 PolarHBondContact O-N 3.41Å; W1174-L1177 HydrophobicContact CB-CB 3.78Å; W1174-L1177 HydrophobicContact CB-CD1 3.88Å; W1174-L1177 HydrophobicContact CB-CG 3.78Å; W1174-L1177 HydrophobicContact CD2-CD1 3.5Å; W1174-L1177 HydrophobicContact CD2-CG 3.99Å; W1174-L1177 HydrophobicContact CE3-CD1 3.79Å; W1174-L1177 HydrophobicContact CE3-CG 3.92Å; W1174-L1177 HydrophobicContact CG-CB 4.4Å; W1174-L1177 HydrophobicContact CG-CD1 3.55Å; W1174-L1177 HydrophobicContact CG-CG 3.97Å; W1174-L1177 HydrophobicContact CZ3-CD1 4.49Å; W1174-L1177 PolarHBondContact O-N 2.9Å; W1174-L1177 VanDerWaalsContact O-N 3.16Å
1175R53.4Low48.9Very low199 Ų199135.7 Ų135.775%0.75165%0.652SS**THydrogen-bonded Turntrans-60.195.5162.5-62.9-78.9-161.2164.59.5106.1R1173R1173-R1175 PolarHBondContact O-N 3.27Å
1176G52.2Low48.8Very low61 Ų61139.3 Ų139.363%0.62965%0.651SS**THydrogen-bonded Turntrans119.66.6-176.200000116.8W1174W1174-G1176 VanDerWaalsContact C-N 3.29Å; W1174-G1176 PolarHBondContact O-N 3.41Å
1177L46.7Very low48.7Very low111 Ų111137 Ų13758%0.58165%0.652SS**  trans-102.761.3159.7-69.3-175.2000110.8W1174 N1179W1174-L1177 HydrophobicContact CB-CB 3.78Å; W1174-L1177 HydrophobicContact CB-CD1 3.88Å; W1174-L1177 HydrophobicContact CB-CG 3.78Å; W1174-L1177 HydrophobicContact CD2-CD1 3.5Å; W1174-L1177 HydrophobicContact CD2-CG 3.99Å; W1174-L1177 HydrophobicContact CE3-CD1 3.79Å; W1174-L1177 HydrophobicContact CE3-CG 3.92Å; W1174-L1177 HydrophobicContact CG-CB 4.4Å; W1174-L1177 HydrophobicContact CG-CD1 3.55Å; W1174-L1177 HydrophobicContact CG-CG 3.97Å; W1174-L1177 HydrophobicContact CZ3-CD1 4.49Å; W1174-L1177 PolarHBondContact O-N 2.9Å; W1174-L1177 VanDerWaalsContact O-N 3.16Å; L1177-N1179 VanDerWaalsContact C-N 3.31Å; L1177-N1179 PolarHBondContact O-N 3.31Å
1178D48.2Very low48.4Very low134 Ų134141.8 Ų141.872%0.71768%0.676SS**  trans-73.285.1168.2-71.5-47.4000109.8N1180D1178-N1180 PolarHBondContact O-N 3.05Å; D1178-N1180 PolarHBondContact O-ND2 3.41Å
1179N45.4Very low48.3Very low166 Ų166141.7 Ų141.789%0.88869%0.685SS**SBendtrans429.6155.8-67.5-9.7000120.9L1177 D1181L1177-N1179 VanDerWaalsContact C-N 3.31Å; L1177-N1179 PolarHBondContact O-N 3.31Å; N1179-D1181 PolarHBondContact O-N 3.2Å
1180N44.7Very low48Very low138 Ų138141.5 Ų141.574%0.73869%0.689SS**  trans-98.172.2174.6-61.3-47000108.6D1178 P1182D1178-N1180 PolarHBondContact O-N 3.05Å; D1178-N1180 PolarHBondContact O-ND2 3.41Å; N1180-P1182 WeakPolarHBondContact O-CD 3.33Å
1181D50.2Low47.5Very low79 Ų79141 Ų14142%0.42270%0.699SS.*  trans-65.5114.5162.1162.736.1000107.9N1179 F1183 T1184N1179-D1181 PolarHBondContact O-N 3.2Å; D1181-F1183 PolarHBondContact O-N 3.24Å; D1181-F1183 WeakPolarHBondContact OD1-CD2 3.38Å; D1181-F1183 PolarHBondContact OD1-N 2.98Å; D1181-T1184 WeakPolarHBondContact CB-OG1 3.46Å; D1181-T1184 VanDerWaalsContact CG-OG1 3.32Å; D1181-T1184 PolarHBondContact O-N 3.4Å; D1181-T1184 PolarHBondContact O-OG1 2.83Å; D1181-T1184 PolarHBondContact OD2-N 3.01Å; D1181-T1184 PolarHBondContact OD2-OG1 3.33Å
1182P49.4Very low47Very low88 Ų88136.3 Ų136.357%0.57170%0.699SS**THydrogen-bonded Turntrans-64.3-7.4-175.1-21.335000114.3N1180 Q1186N1180-P1182 WeakPolarHBondContact O-CD 3.33Å; P1182-Q1186 PolarHBondContact O-NE2 3.43Å
1183F47.5Very low46.8Very low159 Ų159137.1 Ų137.170%0.69771%0.71SS**THydrogen-bonded Turntrans-103.5-8.8-175.2-60.6-80.6000114.5D1181D1181-F1183 PolarHBondContact O-N 3.24Å; D1181-F1183 WeakPolarHBondContact OD1-CD2 3.38Å; D1181-F1183 PolarHBondContact OD1-N 2.98Å
1184T53.6Low46.4Very low94 Ų94136.2 Ų136.258%0.57772%0.716SS**THydrogen-bonded Turntrans-80.8-34.7-179.2-19.70000113.9D1181 Q1186D1181-T1184 WeakPolarHBondContact CB-OG1 3.46Å; D1181-T1184 VanDerWaalsContact CG-OG1 3.32Å; D1181-T1184 PolarHBondContact O-N 3.4Å; D1181-T1184 PolarHBondContact O-OG1 2.83Å; D1181-T1184 PolarHBondContact OD2-N 3.01Å; D1181-T1184 PolarHBondContact OD2-OG1 3.33Å; T1184-Q1186 PolarHBondContact O-N 3.46Å
1185D49.6Very low46.2Very low140 Ų140136 Ų13675%0.74973%0.728SS**THydrogen-bonded Turntrans-87.3-2.2-167-74.9-17.1000115.6
1186Q48.7Very low45.4Very low145 Ų145131.5 Ų131.568%0.67873%0.728SS**THydrogen-bonded Turntrans-103.68.9-167.8-64.8-171.475.700115.5P1182 T1184P1182-Q1186 PolarHBondContact O-NE2 3.43Å; T1184-Q1186 PolarHBondContact O-N 3.46Å
1187I46.2Very low45Very low151 Ų151133.6 Ų133.677%0.77473%0.732SS**SBendtrans-117.126.5-174.9-29.7-177.3000113.3
1188N45Very low44.5Very low157 Ų157137 Ų13784%0.8475%0.745SS**  trans-150.135174.7-139.29000114.6D1190N1188-D1190 PolarHBondContact O-N 2.7Å
1189I44.5Very low44.2Very low155 Ų155138.7 Ų138.780%0.79575%0.754SS**  trans-98.470.5174.1-52.8168.8000110
1190D42.2Very low44Very low139 Ų139139 Ų13974%0.74375%0.751SS**  trans-15991.4152.9-164.58.7000110.9N1188N1188-D1190 PolarHBondContact O-N 2.7Å
1191N41.7Very low44Very low163 Ų163140.7 Ų140.787%0.87275%0.751SS**  trans172.682151.5-99.9-77.9000108.1
1192S38.9Very low43.4Very low114 Ų114144.9 Ų144.980%0.79777%0.768SS**  trans-76.8136.8166.155.50000110.7
1193D40.8Very low42.9Very low156 Ų156143.8 Ų143.883%0.83477%0.773SS**  trans-149.6152.6134.6-147.8-14.4000109.9
1194D42.7Very low42.6Very low135 Ų135144.1 Ų144.172%0.72278%0.78SS**  trans-72.1157.3-172.8-75.6-53.6000112.8
1195N38.3Very low42.1Very low172 Ų172143 Ų14392%0.9278%0.775SS**  -166.5112.1126.1-105.3-78.8000110.1
1196S37.6Very low41.9Very low105 Ų105141.5 Ų141.573%0.73477%0.774SS**  trans-98.8132.8179.8500000112.1
1197S42.2Very low41.9Very low104 Ų104136.9 Ų136.973%0.72777%0.765SS**  trans-162.8125144.9-23.10000110.8
1198E38.1Very low42Very low184 Ų184135.7 Ų135.786%0.8677%0.767SS**  37.7104.9129.2-65.5155.2-137.200118.6
1199D42.1Very low42.2Very low169 Ų169132.9 Ų132.990%0.90475%0.751SS**  -155141.3100.8-118.6-27.8000111.4
1200E39.9Very low42.7Very low173 Ų173126.6 Ų126.681%0.80872%0.719SS**  trans-87.3131.6-177.7-60-179117.500111.6
1201K44.3Very low43.2Very low172 Ų172124.7 Ų124.775%0.74871%0.709SS**  177.3150.6112-96.2177.8176.3173.30114.5
1202H38.3Very low43.5Very low168 Ų168126.2 Ų126.278%0.77870%0.702SS**  trans-7.4125.5164-28-61.5000115.9
1203G39.4Very low44.3Very low65 Ų65126.8 Ų126.867%0.6770%0.696SS**  cis116.7132.424.700000110.1
1204I41.7Very low45Very low166 Ų166128.3 Ų128.385%0.85169%0.69SS**  trans-11.6144.5158.329.2173000116.6
1205P42.3Very low45.2Very low71 Ų71130.8 Ų130.846%0.46169%0.689SS.*  -144.9170.550.828-2.6000119.8D1210P1205-D1210 WeakPolarHBondContact CD-OD1 3.47Å; P1205-D1210 VanDerWaalsContact CG-OD1 3.25Å; P1205-D1210 WeakPolarHBondContact CG-OD1 3.44Å
1206C45.2Very low45.3Very low108 Ų108125.9 Ų125.973%0.7368%0.679SS**  trans43.3179143.2-67.60000122.7I1209 D1210C1206-I1209 HydrophobicContact CB-CG2 4.28Å; C1206-D1210 WeakPolarHBondContact CB-OD2 3.12Å
1207G47.8Very low45.4Very low48 Ų48124.2 Ų124.250%0.49567%0.666SS.*SBendtrans-90.6-130.5-165.300000114I1209 D1210G1207-I1209 PolarHBondContact O-N 3.15Å; G1207-D1210 PolarHBondContact O-N 3.41Å
1208P49.3Very low45.1Very low126 Ų126124.5 Ų124.582%0.81866%0.657SS**Hα-helixtrans-53.7-26-173.4-28.535.7000115.5D1210P1208-D1210 VanDerWaalsContact C-N 3.31Å; P1208-D1210 PolarHBondContact O-N 3.39Å
1209I49.7Very low45.1Very low98 Ų98121.7 Ų121.750%0.50364%0.642SS.*Hα-helixtrans-69.2-24.9-179-141.6162.4000113.1C1206 G1207 W1212 L1213C1206-I1209 HydrophobicContact CB-CG2 4.28Å; G1207-I1209 PolarHBondContact O-N 3.15Å; I1209-W1212 HydrophobicContact CG1-CE3 4.26Å; I1209-W1212 WeakPolarHBondContact O-CB 3.5Å; I1209-W1212 PolarHBondContact O-N 2.68Å; I1209-W1212 VanDerWaalsContact O-N 3.13Å; I1209-L1213 HydrophobicContact CG1-CD1 4.17Å; I1209-L1213 VanDerWaalsContact O-CD1 3.26Å; I1209-L1213 WeakPolarHBondContact O-CD1 3.29Å; I1209-L1213 PolarHBondContact O-N 2.86Å
1210D55.3Low44.8Very low23 Ų23118.4 Ų118.412%0.12363%0.632CS.*Hα-helixtrans-84.6-15.1-178.2-86.5-80.3000114.2P1205 C1206 G1207 P1208 R1214P1205-D1210 WeakPolarHBondContact CD-OD1 3.47Å; P1205-D1210 VanDerWaalsContact CG-OD1 3.25Å; P1205-D1210 WeakPolarHBondContact CG-OD1 3.44Å; C1206-D1210 WeakPolarHBondContact CB-OD2 3.12Å; G1207-D1210 PolarHBondContact O-N 3.41Å; P1208-D1210 VanDerWaalsContact C-N 3.31Å; P1208-D1210 PolarHBondContact O-N 3.39Å; D1210-R1214 WeakPolarHBondContact O-CB 3.32Å; D1210-R1214 VanDerWaalsContact O-CD 3.29Å; D1210-R1214 WeakPolarHBondContact O-CD 3.28Å; D1210-R1214 WeakPolarHBondContact O-CG 3.4Å
1211N50.9Low44.5Very low98 Ų98115.2 Ų115.252%0.52463%0.629SS.*Hα-helixtrans-76.8-29.5160.2-102.9-39.2000111.4R1214 R1215N1211-R1214 PolarHBondContact O-N 2.83Å; N1211-R1215 WeakPolarHBondContact O-CB 3.31Å; N1211-R1215 WeakPolarHBondContact O-CG 3.25Å; N1211-R1215 PolarHBondContact O-N 3.38Å; N1211-R1215 PolarHBondContact OD1-NE 3.38Å
1212W48.4Very low44Very low195 Ų195114.4 Ų114.474%0.73963%0.633SS**Hα-helixtrans-72.3-46.3177.1-170.359.9000111.5I1209 R1214 R1215I1209-W1212 HydrophobicContact CG1-CE3 4.26Å; I1209-W1212 WeakPolarHBondContact O-CB 3.5Å; I1209-W1212 PolarHBondContact O-N 2.68Å; I1209-W1212 VanDerWaalsContact O-N 3.13Å; W1212-R1214 PolarHBondContact O-N 2.84Å; W1212-R1214 VanDerWaalsContact O-N 3.15Å; W1212-R1215 PolarHBondContact O-N 2.99Å
1213L56.6Low43.8Very low126 Ų126109.4 Ų109.466%0.6663%0.627SS**THydrogen-bonded Turntrans-65.3-13.5173.3-87.885.4000114.3I1209I1209-L1213 HydrophobicContact CG1-CD1 4.17Å; I1209-L1213 VanDerWaalsContact O-CD1 3.26Å; I1209-L1213 WeakPolarHBondContact O-CD1 3.29Å; I1209-L1213 PolarHBondContact O-N 2.86Å
1214R55.8Low43.8Very low189 Ų189111.8 Ų111.871%0.71362%0.621SS**THydrogen-bonded Turntrans-104.3-3.3177.6-70.3177.6-176-92.71114.5D1210 N1211 W1212D1210-R1214 WeakPolarHBondContact O-CB 3.32Å; D1210-R1214 VanDerWaalsContact O-CD 3.29Å; D1210-R1214 WeakPolarHBondContact O-CD 3.28Å; D1210-R1214 WeakPolarHBondContact O-CG 3.4Å; N1211-R1214 PolarHBondContact O-N 2.83Å; W1212-R1214 PolarHBondContact O-N 2.84Å; W1212-R1214 VanDerWaalsContact O-N 3.15Å
1215R46.5Very low43.5Very low186 Ų186107.3 Ų107.370%0.70260%0.599SS**  trans-137.148.3-175-61.3-179.5-175-102.23.2112.7N1211 W1212 P1217N1211-R1215 WeakPolarHBondContact O-CB 3.31Å; N1211-R1215 WeakPolarHBondContact O-CG 3.25Å; N1211-R1215 PolarHBondContact O-N 3.38Å; N1211-R1215 PolarHBondContact OD1-NE 3.38Å; W1212-R1215 PolarHBondContact O-N 2.99Å; R1215-P1217 WeakPolarHBondContact O-CD 3.45Å
1216G40.4Very low43.2Very low70 Ų70106.8 Ų106.872%0.72259%0.592SS**  trans-82.7114.8157.600000109.3
1217P39.4Very low42.9Very low70 Ų70109.1 Ų109.146%0.45559%0.592SS.*  trans-77.1147164.235.6-34.8000109.6E1048 D1049 R1215E1048-P1217 WeakPolarHBondContact O-CB 3.48Å; D1049-P1217 HydrophobicContact CB-CB 4.17Å; D1049-P1217 VanDerWaalsContact OD2-CB 3.24Å; D1049-P1217 WeakPolarHBondContact OD2-CB 3.25Å; R1215-P1217 WeakPolarHBondContact O-CD 3.45Å
1218M36.3Very low42.3Very low110 Ų110110.9 Ų110.954%0.54260%0.597SS.*  trans17198.7158.2-100.8-72.6164.100107.5E1048 S1220E1048-M1218 HydrophobicContact CB-CE 3.71Å; E1048-M1218 HydrophobicContact CB-SD 4.16Å; E1048-M1218 HydrophobicContact CG-CE 4.4Å; M1218-S1220 PolarHBondContact O-N 3.46Å
1219K37.3Very low41.6Very low125 Ų125110.6 Ų110.654%0.54359%0.593SS.*  trans-91.377.9-171.3-68.6165.5-178.3126.80110.2E1048 D1049 E1052E1048-K1219 PolarHBondContact OE2-N 3.01Å; D1049-K1219 IonicContact OD1-NZ 2.72Å; D1049-K1219 PolarHBondContact OD1-NZ 3.44Å; D1049-K1219 IonicContact OD2-NZ 2.67Å; E1052-K1219 WeakPolarHBondContact OE1-CE 3.38Å; E1052-K1219 IonicContact OE1-NZ 2.67Å; E1052-K1219 PolarHBondContact OE1-NZ 2.96Å
1220S35.2Very low41Very low99 Ų99112.9 Ų112.969%0.69260%0.601SS**  trans-139.1121.4165.953.30000116.4M1218M1218-S1220 PolarHBondContact O-N 3.46Å
1221S34.7Very low40.4Very low107 Ų107118.8 Ų118.875%0.74863%0.633SS**  trans-51.3158.6156.5660000111.2
1222N33.2Very low39.9Very low154 Ų154117.6 Ų117.682%0.82464%0.644SS**  cis-167.8140.837-166.416.2000112.5
1223G34.3Very low39.7Very low63 Ų63115.3 Ų115.365%0.64965%0.646SS**  trans80.9160.1151.600000118.8
1224E38.7Very low39.2Very low115 Ų115115.7 Ų115.754%0.53765%0.648SS.*  cis-154.1122.6-10.5-98.2-164.4115.200111.7I1407E1224-I1407 HydrophobicContact CB-CG1 4.17Å; E1224-I1407 WeakPolarHBondContact OE1-CG2 3.16Å; E1224-I1407 VanDerWaalsContact OE2-CD1 3.3Å; E1224-I1407 WeakPolarHBondContact OE2-CD1 3.38Å
1225N35.6Very low38.7Very low73 Ų73113.6 Ų113.639%0.3965%0.651SS.*  trans74.2139.5133.8-67.2-41.5000124I1407N1225-I1407 HydrophobicContact CB-CB 4.46Å; N1225-I1407 HydrophobicContact CB-CG1 4.31Å
1226N37.2Very low38.3Very low60 Ų60110.2 Ų110.232%0.32166%0.656SS.*  trans84.6110.9138.8-73.37.5000118.6Q1406 I1407 H1408N1226-Q1406 PolarHBondContact ND2-O 3.16Å; N1226-I1407 PolarHBondContact ND2-N 3.34Å; N1226-I1407 PolarHBondContact ND2-O 3.24Å; N1226-H1408 PolarHBondContact ND2-N 2.94Å
1227Q37.6Very low38.6Very low157 Ų157114.9 Ų114.973%0.73466%0.664SS**  87.514573.9-82.91759.900111
1228S36.3Very low38.5Very low85 Ų85117.2 Ų117.259%0.59468%0.678SS**  cis-170.8151.3-145.30000110.7
1229T34.2Very low38.7Very low120 Ų120119.1 Ų119.174%0.73669%0.688SS**  trans55.2177.5148.864.10000116.5
1230E36.9Very low38.8Very low145 Ų145120.7 Ų120.768%0.67870%0.697SS**  cis-159.7162.74.8-150.4164.2137.900110
1231N42.8Very low39Very low148 Ų148121.3 Ų121.379%0.79170%0.701SS**  trans68.1137.6170.6-40.3-65.4000116.7
1232G40.1Very low39.4Very low73 Ų73122 Ų12275%0.75371%0.707SS**  cis124.2147.2-10.100000115.1
1233D44.2Very low39.7Very low147 Ų147120.4 Ų120.479%0.78671%0.708SS**  trans82.1143.7159.2-141.511.2000119.5
1234L46.7Very low39.9Very low134 Ų134123.3 Ų123.370%0.70271%0.708SS**  trans67.5145.5167.2-48.9-175.4000118.2
1235D44.7Very low40.1Very low145 Ų145125.8 Ų125.878%0.77572%0.717SS**  cis-1441654.3-113-36000111.5
1236S38Very low40.5Very low115 Ų115129 Ų12980%0.80473%0.73SS**  trans-110.7146172.6-610000111.4
1237D47.1Very low40.7Very low168 Ų168130.9 Ų130.990%0.89874%0.744SS**  trans-148.3153.1163.3-136.8-21.1000116.2
1238T37.2Very low40.7Very low119 Ų119129.5 Ų129.573%0.7374%0.741SS**  trans-114.9133.8-158.3-66.30000113.4
1239I40Very low40.9Very low149 Ų149131.4 Ų131.476%0.76475%0.745SS**  trans-143.5113.5163.9-81.9-158.5000113.5
1240H40.6Very low41.2Very low158 Ų158133.4 Ų133.473%0.73174%0.743SS**  trans43.5139138.6-60.7-66.8000122.3
1241S39Very low41.8Very low112 Ų112129 Ų12978%0.78372%0.724SS**  cis-161.4172.97.6-93.50000112.5
1242S42.7Very low42.6Very low123 Ų123125.2 Ų125.286%0.8671%0.708SS**  trans-115.5154.6-159.5-31.50000117.8
1243S39.3Very low42.7Very low120 Ų120126.5 Ų126.584%0.83971%0.705SS**  trans167.3139.3145.9167.50000113.4
1244N38.7Very low42.7Very low124 Ų124126.7 Ų126.766%0.66371%0.706SS**  cis-178.5121.4-12-177.236.7000114.2
1245K42.5Very low42.5Very low167 Ų167125.1 Ų125.173%0.72671%0.707SS**  trans66.7159.7152.5-79173175.6-94.80122
1246Q44.6Very low42.5Very low140 Ų140122.5 Ų122.565%0.65471%0.705SS**  cis172.6158.2-12.8171.2177.8-900111
1247T42Very low42.6Very low100 Ų100124 Ų12461%0.61370%0.703SS**  cis-172.1139.7-32.246.40000111.9
1248N36.7Very low42.3Very low127 Ų127123.2 Ų123.268%0.67969%0.694SS**  trans61.3160.6137.1-62.463.9000121.8
1249D41Very low42.5Very low126 Ų126122.5 Ų122.567%0.67469%0.694SS**  cis-175.2170.5-8.6-102.75.9000116.5
1250K41.1Very low42.7Very low161 Ų161122 Ų12270%0.769%0.693SS**  trans96.6163.5146.8-65.7-112.8161.8-153.10125.2
1251D49.3Very low42.8Very low52 Ų52122.9 Ų122.928%0.27870%0.697SS.*  trans-141.4-170.9-136.442.7-103.7000115.2C485 A486 D487C485-D1251 PolarHBondContact SG-OD2 3.23Å; A486-D1251 HydrophobicContact CB-CB 3.73Å; D487-D1251 HydrophobicContact CB-CB 4.15Å
1252P58.9Low43Very low70 Ų70125.3 Ų125.346%0.45570%0.696SS.*  cis-137.4-143.6-22.237.9-13.6000115.8A486A486-P1252 HydrophobicContact CB-CB 3.84Å
1253S42.6Very low43Very low99 Ų99125.7 Ų125.769%0.69269%0.688SS**  trans88.9158.2158.872.80000121.9
1254D43.8Very low42.9Very low151 Ų151127.8 Ų127.881%0.80768%0.684SS**  cis-178.4171.3-27.1-93.9-53.7000110
1255S42.4Very low42.8Very low102 Ų102127.7 Ų127.771%0.71368%0.684SS**  cis-172.1168.9-20.560.10000112.8
1256A44.2Very low42.6Very low90 Ų90124 Ų12474%0.74468%0.679SS**  trans69.7167.6162.500000122.2
1257L40.6Very low42.3Very low146 Ų146127 Ų12776%0.76469%0.69SS**  cis-173.9175.2-27.5-86.6169.7000107.8
1258E40.3Very low42.1Very low152 Ų152126.1 Ų126.171%0.7169%0.692SS**  cis-170.6150.34.2-131.7153.2-151.600114.4
1259S42.3Very low42.1Very low103 Ų103126.7 Ų126.772%0.7270%0.7SS**  trans65.3163.3152.8680000125.7
1260D44.4Very low42Very low139 Ų139126.5 Ų126.574%0.74370%0.704SS**  cis-175.3165.6-37.9-86.7-49.4000115.4
1261E42.7Very low41.6Very low177 Ų177126.2 Ų126.283%0.82771%0.71SS**  trans82.4135158.7-61.6-149.6163.600129.8
1262E42.8Very low41.1Very low162 Ų162131.8 Ų131.876%0.75774%0.74SS**  trans88.7133.1140-91.9-159.915800130.3
1263I42.4Very low40Very low132 Ų132135.9 Ų135.968%0.67776%0.757SS**  trans89.6104.9144.8-65.9164.9000125.8
1264E37.5Very low39.5Very low164 Ų164136.8 Ų136.877%0.76676%0.763SS**  trans33.7144133.8-48.5-160.314000130.2
1265N35.7Very low39.2Very low122 Ų122135.7 Ų135.765%0.65276%0.762SS**  89.798126.3-89.4-39.2000126.1
1266S39.5Very low39.1Very low90 Ų90134 Ų13463%0.62976%0.761SS**  109.8139.9108.481.80000123.6
1267K39Very low38.9Very low202 Ų202136.6 Ų136.688%0.87877%0.767SS**  trans74.3152.2157.6-66.6171.4-179.3168.90120.5
1268A36.5Very low38.8Very low81 Ų81137.1 Ų137.167%0.66977%0.77SS**  cis-179.2156.5-24.300000111.5
1269V37.4Very low39Very low139 Ų139135.6 Ų135.684%0.84278%0.776SS**  trans66.5131152.9166.30000116.4
1270T38.5Very low39Very low123 Ų123137.9 Ų137.976%0.75578%0.779SS**  cis-139.215830.346.10000114.2
1271D33.6Very low38.7Very low154 Ų154134.7 Ų134.782%0.82478%0.78SS**  trans-86.3161.4169.2-45.6-80.5000114.5
1272N38.9Very low38.6Very low170 Ų170135.6 Ų135.691%0.90978%0.781SS**  trans-154.4129.5148.6-100.8-44.8000108.8
1273L34.7Very low38.9Very low155 Ų155137.7 Ų137.781%0.81279%0.787SS**  trans-101.9143.5-169.7-176.665.8000111.5T1275L1273-T1275 HydrophobicContact CD2-CG2 4.46Å
1274S33.1Very low38.7Very low118 Ų118135.7 Ų135.783%0.82579%0.79SS**  trans-137.5139.9160.7-168.90000108.8
1275T36.8Very low38.9Very low129 Ų129135.7 Ų135.779%0.79180%0.795SS**  trans-101.3149.4-165.839.90000112.7L1273L1273-T1275 HydrophobicContact CD2-CG2 4.46Å
1276G39.4Very low39.1Very low66 Ų66138 Ų13868%0.6881%0.806SS**  trans-178.294.717800000114
1277V40.2Very low39.1Very low145 Ų145143.2 Ų143.288%0.87982%0.818SS**  trans42.4108.5156.6-165.60000117.9
1278L38.5Very low39.4Very low157 Ų157139.2 Ų139.282%0.82282%0.815SS**  trans-106122.4165-72.7176.8000111L1280L1278-L1280 HydrophobicContact CB-CD1 4.02Å; L1278-L1280 HydrophobicContact CD1-CD1 4.43Å
1279S44.2Very low39.7Very low120 Ų120144.6 Ų144.684%0.83983%0.827SS**  trans-95.2121163.9-177.50000109.2
1280L42.3Very low40Very low150 Ų150144.6 Ų144.679%0.78583%0.827SS**  trans-118.790.6-173.6-114.378.2000112.6L1278 K1282L1278-L1280 HydrophobicContact CB-CD1 4.02Å; L1278-L1280 HydrophobicContact CD1-CD1 4.43Å; L1280-K1282 PolarHBondContact O-N 3.43Å
1281G38.7Very low39.9Very low73 Ų73147.7 Ų147.775%0.75383%0.83SS**  trans-94.986.5177.400000114.6
1282K40.3Very low40.3Very low196 Ų196148.7 Ų148.785%0.85283%0.834SS**  trans63.2126.1155-55178.1178.6176.20119.2L1280L1280-K1282 PolarHBondContact O-N 3.43Å
1283K49Very low40.2Very low205 Ų205147.7 Ų147.789%0.89182%0.824SS**  trans104143.8149.9-53.6-167.3-177.3-175.10120
1284A39.9Very low40.4Very low90 Ų90147.4 Ų147.474%0.74483%0.829SS**  trans83.7109.6162.600000120.5
1285L40.3Very low40.7Very low164 Ų164149 Ų14986%0.85982%0.824SS**  trans20.3126.8146.7-62.5103.9000120.7
1286L40.1Very low40.5Very low170 Ų170150 Ų15089%0.8982%0.823SS**  -162.2153.7113.3-106.7159.2000112.2
1287K39.5Very low40.3Very low200 Ų200152.5 Ų152.587%0.8782%0.824SS**  trans-112.2117.2180-68.3172.6178.5172.30110.2
1288S46.6Very low40.1Very low119 Ų119151.4 Ų151.483%0.83282%0.818SS**  trans-156.9136162.449.70000111.6
1289Q42.4Very low40.1Very low194 Ų194149.5 Ų149.591%0.90782%0.816SS**  trans-89.6133174.2-63.5174.8-6.200110.2
1290T42.2Very low39.7Very low138 Ų138150.6 Ų150.685%0.84781%0.813SS**  trans-141.1120.6147.245.30000109.6
1291K37Very low39.5Very low189 Ų189152.2 Ų152.282%0.82281%0.813SS**  trans-98.6111.3179.5179.6176.6-179.5172.20109.1
1292L42.3Very low39.4Very low174 Ų174156.3 Ų156.391%0.91182%0.817SS**  trans-106147.9167-70.6178.6000110.1
1293Q37.6Very low39.3Very low149 Ų149152.5 Ų152.570%0.69681%0.813SS**  trans-141.9118.3-165.1173.8-176.9-10.900108.8
1294T38.3Very low38.6Very low150 Ų150147.6 Ų147.692%0.9280%0.804SS**  trans-129.2136.2171.937.10000108.8
1295Q39.7Very low38.4Very low151 Ų151148.9 Ų148.971%0.70680%0.798SS**  trans-132.5125.7-167.3-175.71761100110.9
1296I31.9Very low38.1Very low150 Ų150151.9 Ų151.977%0.76980%0.798SS**  trans13.8117.1154-48.9172.7000116.5
1297V35.4Very low37.7Very low119 Ų119147 Ų14772%0.72179%0.79SS**  trans-134.3111.5156.6179.90000109.3
1298V35.8Very low37.8Very low122 Ų122147 Ų14774%0.73979%0.789SS**  trans-128.6112.7165.7178.50000107.8
1299C39.7Very low37Very low116 Ų116147.5 Ų147.578%0.78479%0.787SS**  trans-11188.6-170.5-76.40000112.3K1301C1299-K1301 PolarHBondContact O-N 3.35Å
1300N34.6Very low36.7Very low144 Ų144145.5 Ų145.577%0.7779%0.789SS**  trans-77.3114.8170.1-83.3-23.7000111.8
1301K38.6Very low36.2Very low184 Ų184148.2 Ų148.280%0.879%0.789SS**  trans160.6114.7130.2-88.1162.4-177.31760115C1299C1299-K1301 PolarHBondContact O-N 3.35Å
1302L36.1Very low35.8Very low159 Ų159144.6 Ų144.683%0.83279%0.787SS**  trans64.1165134.1-67163.5000119.7
1303P38.8Very low35.3Very low116 Ų116140.9 Ų140.975%0.75378%0.782SS**  cis-124.4168.1-7.938-23.1000115.4
1304S34.2Very low35.1Very low101 Ų101138.6 Ų138.671%0.70678%0.782SS**  trans-53.4145.6168.2170.40000115.1
1305N36Very low34.9Very low118 Ų118137 Ų13763%0.63177%0.772SS**  -168.5125.5128.3-112-90.6000114.4
1306R34Very low34.8Very low226 Ų226136.9 Ų136.985%0.85378%0.776SS**  trans3899.7144.3-59.5172.7174.8138.5-9.5117.8
1307G31.7Very low35Very low69 Ų69139.8 Ų139.871%0.71178%0.777SS**  92.6170.26400000113.3
1308K40.5Very low35Very low199 Ų199141.1 Ų141.187%0.86578%0.78SS**  trans81.3102.7-173.6-53.4169.2-175173.40113.9
1309T30.2Very low35.4Very low129 Ų129140 Ų14079%0.79178%0.775SS**  64101.169.9710000115.8
1310T36.6Very low35.2Very low152 Ų152141.1 Ų141.193%0.93377%0.773SS**  trans-158.6158.9137.413.40000109.7
1311K32.3Very low35Very low196 Ų196143.6 Ų143.685%0.85278%0.777SS**  trans-109.2167.1-173.5-63.2-176.8177.6-175.80112.6
1312S28.3Very low34.8Very low113 Ų113139 Ų13979%0.7977%0.768SS**  trans75.3136.714059.50000122.1
1313A31Very low34.6Very low96 Ų96139.3 Ų139.379%0.79377%0.771SS**  trans75.2145.915100000119.5
1314S33.3Very low34.3Very low101 Ų101143.1 Ų143.171%0.70677%0.771SS**  cis-172.2165-19.958.30000112.3
1315T34.2Very low33.9Very low116 Ų116148 Ų14871%0.71278%0.78SS**  trans83.4147.6150.3-40.20000119.4
1316L38.3Very low33.9Very low148 Ų148149.3 Ų149.378%0.77579%0.787SS**  trans88.3140.3172.6-52.6175.2000116.8
1317R35.8Very low34Very low212 Ų212146 Ų14680%0.878%0.781SS**  cis-177.1115.6-37.1-119.7-170.2-170.5-1614.9109
1318N35.2Very low34.1Very low147 Ų147148.6 Ų148.679%0.78679%0.785SS**  trans57.3161.6142.9-69.643.2000121.9
1319P43.6Very low33.6Very low98 Ų98146.7 Ų146.764%0.63678%0.777SS**  cis-144.4179.5-32.139-20.2000116.4
1320L36Very low33.6Very low139 Ų139145.6 Ų145.673%0.72877%0.774SS**  trans72.8140.1163.7-48.3-179.9000117.3
1321F31.1Very low33.6Very low196 Ų196146.3 Ų146.386%0.8677%0.767SS**  cis-117.6157.1-3.9-80.4-96.3000110.9
1322S33.4Very low33.4Very low89 Ų89144.4 Ų144.462%0.62277%0.766SS**  trans-141.8138.2173.6-176.70000110
1323N31.4Very low33.5Very low165 Ų165147.1 Ų147.188%0.88277%0.77SS**  trans-69.4141.8169.8-68.9-26000109.5
1324Y32.8Very low33.7Very low195 Ų195147.3 Ų147.377%0.76576%0.764SS**  trans-125.4121.3177.9-90.9-83.8000110.5L1326Y1324-L1326 HydrophobicContact CD1-CD1 4.21Å
1325F27.2Very low33.6Very low204 Ų204149.2 Ų149.290%0.89576%0.764SS**  trans-100.5104.8170.4-170.8-84.4000107.7
1326L35.4Very low33.5Very low146 Ų146149.3 Ų149.376%0.76476%0.761SS**  trans-144.9129.9179.5-82177.9000112.3Y1324Y1324-L1326 HydrophobicContact CD1-CD1 4.21Å
1327Q35.7Very low33.3Very low157 Ų157151 Ų15173%0.73477%0.765SS**PPolyproline II helixtrans-77.9146.4171.5-60171.7-38.400111.6
1328P34.4Very low33.4Very low122 Ų122144.1 Ų144.179%0.79276%0.759SS**PPolyproline II helixtrans-102.2123.3152.75.515.1000110.4
1329K29.4Very low33.4Very low159 Ų159143.4 Ų143.469%0.69176%0.76SS**PPolyproline II helixtrans-93.1137.9174.1-80.5-171.5173.3-174.20112.4H1331K1329-H1331 PolarHBondContact O-ND1 2.98Å
1330S31.3Very low33.1Very low106 Ų106145 Ų14574%0.74177%0.768SS**  trans35.5113.1146.862.80000119.4
1331H34.7Very low33.1Very low168 Ų168145.2 Ų145.278%0.77877%0.77SS**  trans-158.580.9153.929.6-79.9000113.9K1329K1329-H1331 PolarHBondContact O-ND1 2.98Å
1332N28.3Very low33.6Very low155 Ų155143.7 Ų143.783%0.82977%0.771SS**  trans33.4133.9132.7-70.3-24.8000122.1
1333L30.5Very low33.8Very low170 Ų170145.9 Ų145.989%0.8978%0.781SS**  trans110.8146.3152.2-62.6169.1000118.1
1334P36.8Very low34.3Very low100 Ų100145 Ų14565%0.64978%0.776SS**  trans-136.6-153.2-144.432.5-6.2000114.9
1335I29.7Very low34.6Very low141 Ų141139.2 Ų139.272%0.72376%0.764SS**  trans86.1139.7158-64159.4000117.4
1336N33.3Very low35Very low119 Ų119136.2 Ų136.264%0.63676%0.758SS**  cis-170.7161.5-19.1-100.510.8000112.1
1337E34.3Very low35.3Very low183 Ų183134.7 Ų134.786%0.85576%0.759SS**  trans66147.4139.7-71.9166.3-106.700127.9
1338G36.7Very low35.6Very low67 Ų67136.1 Ų136.169%0.69176%0.763SS**  trans114.2105.9151.700000117.4
1339V35.2Very low35.9Very low132 Ų132136.1 Ų136.180%0.876%0.76SS**  cis74.2121.742.2-1600000113.1
1340T37.8Very low36.5Very low131 Ų131135.1 Ų135.180%0.80476%0.762SS**  -168.1173.575.850.30000115.7
1341N36.1Very low36.8Very low144 Ų144134.9 Ų134.977%0.7776%0.761SS**  trans-101.7-174.1-170.8-26.6-67.8000117.4
1342D40.8Very low36.9Very low164 Ų164133 Ų13388%0.87776%0.761SS**  trans-179.2168.2132.8-90.2-13.2000115.3
1343T37.3Very low37.2Very low136 Ų136133 Ų13383%0.83476%0.759SS**  trans-145-172.7-157.461.90000119.2
1344D41.6Very low37.4Very low146 Ų146131 Ų13178%0.78175%0.754SS**  trans95.1144.2151.8-159.791.2000121.7
1345S39.8Very low37.3Very low73 Ų73130.5 Ų130.551%0.5175%0.753SS.*  cis-172.9172.7-32.670.60000116.8
1346N36.6Very low37.6Very low142 Ų142129.4 Ų129.476%0.75975%0.753SS**  trans86.7124.6137.8-86.1-58.1000129.3
1347S40.3Very low37.6Very low113 Ų113130.3 Ų130.379%0.7976%0.758SS**  trans86.9158.9136.176.50000124.9
1348K43.2Very low37.8Very low187 Ų187127.7 Ų127.781%0.81375%0.75SS**  cis-179152.5-32.8-174.5149.9-176167.20115
1349V39.9Very low37.7Very low122 Ų122130.5 Ų130.574%0.73975%0.749SS**  trans64.8166.1163.7-67.10000121.1
1350D41.8Very low38Very low138 Ų138130.9 Ų130.974%0.73875%0.746SS**  cis-162.9160.312.4-144.3-32000117.3
1351S38.1Very low38.1Very low102 Ų102134.2 Ų134.271%0.71375%0.75SS**  trans69.5160.6149.674.60000125.8
1352V36.9Very low38.4Very low128 Ų128132.5 Ų132.578%0.77675%0.746SS**  cis-173.2153.1-46100.90000115.5
1353I33.9Very low38.1Very low155 Ų155132.6 Ų132.680%0.79575%0.745SS**  trans73.1165.8158.7-82.1171.7000122.9
1354V34.8Very low38.2Very low127 Ų127130 Ų13077%0.7774%0.737SS**  -175.5166.3-60.3102.40000114.5
1355S35.7Very low38.1Very low91 Ų91128.6 Ų128.664%0.63674%0.737SS**  trans112113.4145.8-1360000126.5
1356T35.4Very low37.9Very low118 Ų118130.6 Ų130.672%0.72475%0.745SS**  64.6154.8129.252.80000124.9
1357N34.5Very low38Very low138 Ų138132 Ų13274%0.73874%0.744SS**  cis-174.9173.9-21.1-11859.2000115.7
1358N37.7Very low37.6Very low128 Ų128134.2 Ų134.268%0.68474%0.74SS**  trans90.5118.4145.9-739.2000128
1359N35.4Very low37.4Very low125 Ų125132.5 Ų132.567%0.66874%0.74SS**  95139.8119.3-82.944000130.3
1360D40.2Very low37.2Very low141 Ų141132.9 Ų132.975%0.75474%0.738SS**  trans86.6161.7142.3-59.7-30000126.4
1361K40.5Very low37Very low200 Ų200131.1 Ų131.187%0.8773%0.732SS**  trans-149-151.4-158.8-56-179.7-177174.90110.7
1362P42.8Very low37Very low108 Ų108133.4 Ų133.470%0.70174%0.736SS**  cis-145.3-171.2-13.844.8-24.9000118.1
1363I33.5Very low36.8Very low166 Ų166135.1 Ų135.185%0.85174%0.741SS**  trans84.7151.5146.7-79.5162.7000123.8
1364A40.3Very low37.1Very low81 Ų81132.2 Ų132.267%0.66974%0.74SS**  trans-109.6-172.9-174.900000114.8
1365P39.8Very low37.1Very low118 Ų118132 Ų13277%0.76674%0.739SS**  -164.1141.2106.139.6-17.7000122.2
1366V34Very low37.3Very low114 Ų114134.5 Ų134.569%0.69175%0.745SS**  34151.3126.9-149.10000125.3F1368V1366-F1368 HydrophobicContact CG1-CE1 4.27Å
1367K39Very low37.4Very low171 Ų171135.7 Ų135.774%0.74375%0.747SS**  trans110.9147.8145.3-59.3172.3-173.2168.30118
1368F32.4Very low37.6Very low160 Ų160134.1 Ų134.170%0.70274%0.742SS**  cis-175.8168-20.3-94.7-18.7000112.3V1366V1366-F1368 HydrophobicContact CG1-CE1 4.27Å
1369N39.6Very low37.4Very low151 Ų151137.3 Ų137.381%0.80775%0.745SS**  trans86.4163.3155.8-59.2-45.3000122.5
1370N34.7Very low37.3Very low130 Ų130138.2 Ų138.270%0.69574%0.743SS**  cis-178.3159.5-39.7-159.60.9000113
1371V37.6Very low37.2Very low101 Ų101138.6 Ų138.661%0.61274%0.74SS**  trans49.8131.5158.2-800000125
1372N38.8Very low36.9Very low151 Ų151132.4 Ų132.481%0.80772%0.719SS**  173.6158.999.3-94-63.9000116.7
1373N32.5Very low36.7Very low163 Ų163135.3 Ų135.387%0.87273%0.727SS**  trans-100.6157176.7-70.2-42.5000113.6
1374A39.6Very low36.9Very low94 Ų94134.3 Ų134.378%0.77771%0.713SS**  trans-179.4107.1138.800000118.8
1375V36.4Very low36.5Very low124 Ų124139 Ų13975%0.75271%0.713SS**  37.9144.9128.7-140.80000124.7
1376N39.1Very low36.2Very low143 Ų143136.6 Ų136.677%0.76571%0.71SS**  trans84.4148.8162-35.8-78.1000116.8
1377D38.2Very low36Very low142 Ų142136.6 Ų136.676%0.75972%0.715SS**  cis-160.81692-148.4-11.6000114.4
1378V38.8Very low35.7Very low106 Ų106135.5 Ų135.564%0.64272%0.716SS**  trans76.7112142145.90000123.8
1379R33.5Very low35.5Very low195 Ų195135.4 Ų135.474%0.73672%0.722SS**  trans84.3108.7137-74.9-178169.4-171.3-5125.3
1380F32.8Very low35.3Very low143 Ų143132.7 Ų132.763%0.62772%0.715SS**  100131.5108.5-78.6-19.6000123.2
1381Q37.7Very low35Very low150 Ų150137 Ų13770%0.70172%0.722SS**  trans67.6100.9144.8-67.9171.260.100115.9
1382T33.8Very low34.8Very low70 Ų70141.3 Ų141.343%0.42973%0.733SS.*  cis71.4115.548.2-43.10000114.1H879H879-T1382 WeakPolarHBondContact CE1-CG2 3.48Å; H879-T1382 PolarHBondContact CE1-OG1 3.03Å; H879-T1382 VanDerWaalsContact CE1-OG1 3.29Å
1383I38.6Very low34.6Very low169 Ų169138.8 Ų138.887%0.86773%0.732SS**  -172153.6124.7-93.6154.4000109.6
1384R37.2Very low34.6Very low144 Ų144134.9 Ų134.954%0.54373%0.731SS.*  trans-95.3161.9-167.8-55.5173.71771770.5113.7D877 S878D877-R1384 WeakPolarHBondContact OD2-CD 3.32Å; D877-R1384 IonicContact OD2-CZ 3.71Å; D877-R1384 IonicContact OD2-NE 2.91Å; D877-R1384 PolarHBondContact OD2-NE 2.89Å; D877-R1384 IonicContact OD2-NH1 3.95Å; D877-R1384 PolarHBondContact OD2-NH1 2.66Å; D877-R1384 IonicContact OD2-NH2 3.9Å; S878-R1384 PolarHBondContact OG-NE 2.78Å; S878-R1384 PolarHBondContact OG-NH2 2.73Å
1385R32.9Very low34.4Very low180 Ų180133.9 Ų133.968%0.67973%0.73SS**  trans45.2153.9142.9-80.3-166.1-167.970.64.7121.9D877D877-R1385 IonicContact OD1-CZ 3.55Å; D877-R1385 VanDerWaalsContact OD1-CZ 3.23Å; D877-R1385 IonicContact OD1-NH1 3.74Å; D877-R1385 PolarHBondContact OD1-NH1 2.87Å; D877-R1385 IonicContact OD1-NH2 3.63Å; D877-R1385 PolarHBondContact OD1-NH2 2.71Å; D877-R1385 IonicContact OD2-CZ 2.73Å; D877-R1385 IonicContact OD2-NH1 3.23Å; D877-R1385 PolarHBondContact OD2-NH1 3.31Å; D877-R1385 IonicContact OD2-NH2 3.18Å
1386G32.9Very low34.4Very low68 Ų68136.2 Ų136.270%0.70174%0.737SS**  trans112.2119.8175.200000108.8
1387S31.2Very low34.7Very low114 Ų114135.1 Ų135.180%0.79774%0.736SS**  cis63.6138.141.7-162.40000113.7
1388L31.1Very low34.9Very low147 Ų147133.4 Ų133.477%0.7773%0.732SS**  trans76.996176.5-48.5-177.8000118.9
1389L29.3Very low34.8Very low158 Ų158130.4 Ų130.483%0.82772%0.722SS**  trans66.5175.6132.7-81.269.9000119.4
1390S34.1Very low34.9Very low95 Ų95130.8 Ų130.866%0.66473%0.725SS**  trans66.6122.3179.2-75.60000115.5
1391R29.8Very low35.2Very low221 Ų221132.8 Ų132.883%0.83473%0.734SS**  cis40.17548.5-65.2-166.4-169.5154.38.2114.4
1392F33.8Very low35.1Very low191 Ų191130.4 Ų130.484%0.83873%0.734SS**  trans-165.2109.8138.6-78.9-60.8000106.2
1393A33Very low35.1Very low97 Ų97135.9 Ų135.980%0.80276%0.755SS**  70.899.16300000114.4
1394G33.6Very low35.1Very low81 Ų81132.8 Ų132.884%0.83575%0.745SS**  trans106.6116.414100000119
1395G35.2Very low35Very low74 Ų74130.4 Ų130.476%0.76375%0.747SS**  trans90.7158.8155.100000116.9
1396L37Very low35.2Very low172 Ų172129.5 Ų129.590%0.90175%0.75SS**  cis-133.2136.6-0-90.197.4000114.3
1397V44.3Very low35.2Very low121 Ų121129.2 Ų129.273%0.73373%0.732SS**  trans-54.3138.9159.8164.40000111.5
1398P42.8Very low35.5Very low105 Ų105130 Ų13068%0.68272%0.723SS**  -143.8134.610234.6-18.2000115.1Y1400P1398-Y1400 HydrophobicContact CB-CE2 3.97Å
1399G36.2Very low35.9Very low43 Ų43127.2 Ų127.244%0.44372%0.716SS.*  cis154.1-175.6-700000113.6
1400Y36Very low36.3Very low203 Ų203126.8 Ų126.880%0.79671%0.714SS**  trans72.1129.9162.9-27.4-68.9000115.2P1398P1398-Y1400 HydrophobicContact CB-CE2 3.97Å
1401K38.3Very low36.6Very low186 Ų186128 Ų12881%0.80972%0.717SS**  cis-154.313013.6-72.6-164179.5-178.90110.1
1402S36.1Very low37.1Very low99 Ų99123.2 Ų123.269%0.69271%0.708SS**  62.6142.29480.70000117.3
1403E33.7Very low37.5Very low186 Ų186121 Ų12187%0.86971%0.705SS**  cis-168.6176.2-7.8-108.9-169.9117.600110.4
1404P39.7Very low38Very low104 Ų104119.8 Ų119.868%0.67570%0.703SS**  trans-130.2179-155.447-35.8000120.3
1405T34.2Very low38.2Very low93 Ų93125.9 Ų125.957%0.57171%0.706SS**  trans46.1137146.5-51.90000124.4
1406Q36.7Very low38.3Very low162 Ų162128.6 Ų128.676%0.75770%0.703SS**  trans-159.7103151.2-152.7157.1113.600119.3N1226N1226-Q1406 PolarHBondContact ND2-O 3.16Å
1407I32.7Very low38.3Very low61 Ų61124.7 Ų124.731%0.31370%0.696SS.*  trans26.2135.2131.8-55.1169.1000124.1E1224 N1225 N1226E1224-I1407 HydrophobicContact CB-CG1 4.17Å; E1224-I1407 WeakPolarHBondContact OE1-CG2 3.16Å; E1224-I1407 VanDerWaalsContact OE2-CD1 3.3Å; E1224-I1407 WeakPolarHBondContact OE2-CD1 3.38Å; N1225-I1407 HydrophobicContact CB-CB 4.46Å; N1225-I1407 HydrophobicContact CB-CG1 4.31Å; N1226-I1407 PolarHBondContact ND2-N 3.34Å; N1226-I1407 PolarHBondContact ND2-O 3.24Å
1408H37.4Very low38.1Very low132 Ų132122.4 Ų122.461%0.61170%0.697SS**  trans139.1157.1144.8-84.8-72.2000116.2N1226N1226-H1408 PolarHBondContact ND2-N 2.94Å
1409S39.6Very low37.7Very low88 Ų88124.1 Ų124.162%0.61571%0.706SS**  cis177.6155.3-46.457.10000114.7
1410N39Very low37.7Very low148 Ų148126.5 Ų126.579%0.79172%0.715SS**  trans91.9114.6151-85.515.2000126.7
1411V39.5Very low37.8Very low120 Ų120126 Ų12673%0.72772%0.718SS**  trans24153.4131.5-77.40000125
1412N40.5Very low37.7Very low122 Ų122122.4 Ų122.465%0.65272%0.715SS**  -177.7165.268.6-131.635.1000116.3
1413D42.6Very low37.7Very low143 Ų143124.5 Ų124.577%0.76571%0.714SS**  trans50.5152.4154.5-46.1-35.1000124
1414G42.1Very low37.9Very low73 Ų73119.9 Ų119.975%0.75370%0.703SS**  cis136.6113.9-15.900000118.3
1415F37.8Very low37.8Very low208 Ų208124 Ų12491%0.91271%0.705SS**  trans-161.4-178.5160.1-152.4-111000116.3
1416D37.8Very low37.7Very low131 Ų131128.6 Ų128.670%0.70171%0.712SS**  trans-150.1160.5-147-178.734.8000118.3
1417A37.2Very low37.8Very low91 Ų91126.7 Ų126.775%0.75271%0.707SS**  trans70.3134.6151.700000126.6
1418G40.2Very low37.9Very low73 Ų73130.7 Ų130.775%0.75372%0.724SS**  trans176.2140.2156.500000116.3
1419T35Very low37.7Very low140 Ų140130.6 Ų130.686%0.85973%0.733SS**  trans-151.4156.9-177.363.30000117.9
1420S35.4Very low37.3Very low93 Ų93133.7 Ų133.765%0.6574%0.737SS**  121.9143.8129.8800000122.7
1421K38.6Very low37.3Very low194 Ų194132.8 Ų132.884%0.84373%0.732SS**  trans73.7162.7148.6-76.4167.6-177166.60120.9
1422S36.4Very low37Very low109 Ų109132.8 Ų132.876%0.76273%0.728SS**  cis170.2161.6-23.861.80000109.6
1423E36.2Very low36.7Very low143 Ų143133.3 Ų133.367%0.66873%0.73SS**  cis-166.1145.6-14.5170.3-86.3134.900106.5R1425E1423-R1425 PolarHBondContact OE1-N 3.27Å
1424S37.5Very low36.2Very low89 Ų89137.9 Ų137.962%0.62274%0.736SS**  trans-170.4115.1159.91790000117.1
1425R36.7Very low36.1Very low190 Ų190139 Ų13972%0.71773%0.733SS**  trans52130.8132.5-51.5168.9-164.3-168.63120.2E1423E1423-R1425 PolarHBondContact OE1-N 3.27Å
1426R33Very low36.1Very low190 Ų190138.1 Ų138.172%0.71773%0.728SS**  cis79116.636.8-163.7-151-52.8129.35.2114.9
1427D38Very low36.3Very low123 Ų123137.3 Ų137.366%0.65873%0.728SS**  trans143.8154.8149.9-80.3-14.2000110.6
1428Q35.7Very low36.2Very low144 Ų144136.1 Ų136.167%0.67373%0.725SS**  cis-177.9161.3-34-124.1-175.997.400106.3
1429T32.5Very low36.2Very low131 Ų131140.1 Ų140.180%0.80473%0.728SS**  trans62.3164.9162.552.10000116.4
1430H32.6Very low36.1Very low152 Ų152138.5 Ų138.570%0.70472%0.722SS**  cis-177173.3-24.1174.7-126000105.2
1431L38.5Very low36.3Very low130 Ų130139.2 Ų139.268%0.68173%0.726SS**  trans70.3148.2174.9-51176.3000115.1
1432D32.7Very low36.3Very low119 Ų119138.7 Ų138.764%0.63672%0.724SS**  cis-158172.9-30.8-133.3-12.8000112.3
1433L34.1Very low36.5Very low134 Ų134137.9 Ų137.970%0.70272%0.718SS**  trans-7.3153.2146.3-61.5162.4000119.7
1434R32.9Very low36.5Very low238 Ų238136.6 Ų136.690%0.89872%0.72SS**  trans84.4148.7168.2-51.2154.5165.7-153.1-5.4113
1435S39.1Very low36.5Very low96 Ų96138.4 Ų138.467%0.67173%0.727SS**  cis-146.5139.810.5-156.50000108.3
1436K38.7Very low36.3Very low190 Ų190134.6 Ų134.683%0.82673%0.725SS**  28.6125.285.2-52-177.5178.8-1760111.7
1437V41.6Very low36.2Very low114 Ų114129.5 Ų129.569%0.69172%0.724SS**  -162.6139.556.5167.30000103.9L1439V1437-L1439 HydrophobicContact CG1-CB 4.5Å; V1437-L1439 HydrophobicContact CG1-CD1 4.05Å; V1437-L1439 HydrophobicContact CG1-CG 3.75Å
1438G34.4Very low36.4Very low66 Ų66132 Ų13268%0.6873%0.731SS**  cis92174.335.500000110.1
1439L40Very low36.1Very low157 Ų157131.9 Ų131.982%0.82273%0.734SS**  trans67104.1-175-48.3177000112.2V1437V1437-L1439 HydrophobicContact CG1-CB 4.5Å; V1437-L1439 HydrophobicContact CG1-CD1 4.05Å; V1437-L1439 HydrophobicContact CG1-CG 3.75Å
1440S34.7Very low36.4Very low106 Ų106134.1 Ų134.174%0.74173%0.732SS**  cis62.3105.943.2-165.50000113.8
1441C39.5Very low36.5Very low109 Ų109132.1 Ų132.174%0.73673%0.733SS**  trans-140.898.2160.5-890000109.9
1442F37.7Very low36.5Very low183 Ų183132.7 Ų132.780%0.80373%0.732SS**  trans64129.3139.3-60.4-66.5000119.6
1443S41.5Very low36.8Very low91 Ų91134.9 Ų134.964%0.63674%0.736SS**  cis-151.3147.5-1.6-56.80000108.4
1444V34.3Very low37.1Very low117 Ų117134 Ų13471%0.70974%0.736SS**  44.4109.472.9-162.90000111.1T1446V1444-T1446 HydrophobicContact CG1-CG2 4.36Å
1445V38.1Very low37.4Very low127 Ų127129.6 Ų129.677%0.7773%0.731SS**  -158.810878.3159.80000106.5
1446T32.7Very low37.4Very low110 Ų110129 Ų12968%0.67573%0.727SS**  56.7111.381.266.90000117V1444V1444-T1446 HydrophobicContact CG1-CG2 4.36Å
1447A31.8Very low37.6Very low82 Ų82128.4 Ų128.468%0.67872%0.724SS**  trans55.9118.3149.200000121
1448Q40.4Very low37.7Very low176 Ų176129.3 Ų129.382%0.82273%0.725SS**  -146.7124.9108.4-58.8-163.116.100105.5
1449I30.9Very low38.1Very low141 Ų141133.7 Ų133.772%0.72373%0.733SS**  cis54.788.649.9-50.4-179000112
1450K37.5Very low38.1Very low178 Ų178129.4 Ų129.477%0.77473%0.727SS**  trans-166.398.8153.1-114.9178.6-178-168.70112.6
1451P36.2Very low38.3Very low111 Ų111129.3 Ų129.372%0.72173%0.733SS**  trans-92.9137.315934.1-28.8000110.6
1452E38Very low38.3Very low142 Ų142129.5 Ų129.566%0.66474%0.735SS**  trans-129.6112.8156.9-63.1-155.996.700106.1
1453K38.6Very low38.2Very low164 Ų164127.6 Ų127.671%0.71373%0.733SS**  65.5128.493.5-63.2164.1-161.3158.60111.2
1454T39.8Very low38.1Very low116 Ų116132.7 Ų132.771%0.71275%0.747SS**  cis-139.8143.143.546.10000115.1
1455D39.4Very low38.3Very low145 Ų145135.6 Ų135.678%0.77575%0.75SS**  trans57.7135.5135.8-51.7-13.4000120.7
1456S40.5Very low38.4Very low84 Ų84134.3 Ų134.359%0.58775%0.747SS**  cis-173.9149.9-3.1540000114.9
1457F41.7Very low38.6Very low178 Ų178135.8 Ų135.878%0.78175%0.75SS**  trans67.8145.9161-51-60.5000118.7
1458D44.6Very low38.9Very low132 Ų132140.5 Ų140.571%0.70676%0.755SS**  cis-159.7159.8-18.7-111.4-7.2000111.9
1459D42.1Very low38.8Very low159 Ų159136.7 Ų136.785%0.8575%0.748SS**  trans16.5146161.9-66.7-23.7000123.7
1460G39.5Very low39.1Very low67 Ų67134.9 Ų134.969%0.69175%0.746SS**  cis150.9155.6-7.200000116.3
1461A40.5Very low39.5Very low104 Ų104132.7 Ų132.786%0.8674%0.743SS**  trans67.2155.5158.800000120.4
1462S39.2Very low39.3Very low113 Ų113135.3 Ų135.379%0.7974%0.744SS**  cis-167.5161.3-18.8550000113.9
1463N34.2Very low39.9Very low143 Ų143134.4 Ų134.477%0.76575%0.75SS**  trans-66.4154.1175.8-69.3-111.4000114.6
1464Q40.2Very low39.8Very low197 Ų197132.8 Ų132.892%0.92175%0.747SS**  trans-156.5173.4140.2-80.8-133.41500113.7
1465K39.1Very low40.2Very low179 Ų179135.8 Ų135.878%0.77875%0.751SS**  trans-140.3166.8-156.1-56.1176.2174.7-175.80114
1466S39Very low40.6Very low99 Ų99136.9 Ų136.969%0.69275%0.751SS**  trans108.3117.4135.9-590000124.2
1467L38.5Very low40.6Very low141 Ų141141.9 Ų141.974%0.73876%0.762SS**  90.3139.4119.9-72.6172.5000125.2
1468K37.8Very low40.5Very low181 Ų181144.5 Ų144.579%0.78777%0.767SS**  trans93.6157.5151-65.2135.8-176.2172.30120
1469S38.4Very low40.6Very low96 Ų96144 Ų14467%0.67177%0.771SS**  cis177.3174.4-38.558.40000111.7
1470C37.1Very low40.5Very low103 Ų103142.2 Ų142.270%0.69677%0.766SS**  trans85.8155.3163.5-54.80000119
1471D44.5Very low40.6Very low132 Ų132146 Ų14671%0.70677%0.77SS**  cis-168.6149.1-28.6-98.1-40000114.3
1472F33.3Very low40.7Very low167 Ų167147 Ų14773%0.73277%0.765SS**  trans1155.7158.5-70.7-80.6000125.5I1474F1472-I1474 HydrophobicContact CD1-CD1 4.48Å; F1472-I1474 HydrophobicContact CD1-CG1 4.34Å
1473P49.3Very low40.8Very low122 Ų122149.1 Ų149.179%0.79277%0.766SS**  -149.417598.738.5-20.2000118.7
1474I37.6Very low40.9Very low130 Ų130151.2 Ų151.267%0.66777%0.768SS**  trans-126.6152.8-160.1-64.1155.5000114.9F1472F1472-I1474 HydrophobicContact CD1-CD1 4.48Å; F1472-I1474 HydrophobicContact CD1-CG1 4.34Å
1475K47.2Very low41Very low179 Ų179147.7 Ų147.778%0.77876%0.762SS**  trans-168.4167.1152.5-80.6116.9-151.1120.70110.3
1476Q48Very low40.7Very low168 Ų168145.9 Ų145.979%0.78576%0.761SS**  cis-153.3-134.7-44.6-155.717691.800110.9
1477K40Very low40.7Very low190 Ų190146.5 Ų146.583%0.82677%0.766SS**  trans-158154.2-170.7-61.7-175178.8-176.10115.9
1478R40.2Very low40.7Very low232 Ų232145.6 Ų145.688%0.87577%0.766SS**  trans174.1147.9132.5-99.1-177.6-158.4116.82.4114.7
1479P46.3Very low40.8Very low121 Ų121144.7 Ų144.779%0.78677%0.769SS**  trans-134.4-167.4172.936.5-16.3000115.9
1480V39.8Very low41Very low122 Ų122147 Ų14774%0.73977%0.772SS**  trans106.3155.5160.7-169.60000118
1481D43.1Very low40.9Very low147 Ų147147.3 Ų147.379%0.78678%0.776SS**  trans88.2107.8-177.8-59.9-25000115.5
1482V41.6Very low40.9Very low124 Ų124146.7 Ų146.775%0.75278%0.779SS**  cis84.211036.1-175.10000114.6
1483I42.7Very low41.4Very low159 Ų159144 Ų14482%0.81578%0.778SS**  trans168.5137.3143.6-89.2153.9000110.6
1484K35.3Very low40.6Very low187 Ų187143 Ų14381%0.81378%0.775SS**  trans-111.3156.2159.9-77.1-170.9176.7-174.20109
1485P41.9Very low40.7Very low122 Ų122145 Ų14579%0.79279%0.786SS**  -146.4174.9114.838.4-23.5000115.1
1486N33.2Very low40.5Very low141 Ų141145.7 Ų145.775%0.75479%0.789SS**  trans-101.4149.4-176.1-54.9-17.1000113.3
1487S40Very low40.1Very low113 Ų113148.8 Ų148.879%0.7979%0.793SS**  trans-164.2113152.455.10000107.5
1488V37.4Very low40.3Very low122 Ų122147.4 Ų147.474%0.73979%0.79SS**  58.186.255.4-170.20000112.4
1489L41Very low40.2Very low161 Ų161146.6 Ų146.684%0.84379%0.786SS**  trans-160.6105.7141.1-87.6-161.9000111.8
1490L40.7Very low40.2Very low144 Ų144146 Ų14675%0.75479%0.785SS**  trans21.5108.5140.3-74.160.7000119.9
1491S35.9Very low40.6Very low110 Ų110146.2 Ų146.277%0.76979%0.787SS**  5.8166.2109.4-45.20000119.9
1492P45.6Very low40.6Very low119 Ų119142.3 Ų142.377%0.77377%0.771SS**  cis-131-137.8-27.734.9-11.4000108.2
1493P42Very low41Very low110 Ų110141.8 Ų141.871%0.71477%0.768SS**  cis-130.6-178.3-21.540.4-22.4000115.9
1494S33.4Very low40.9Very low103 Ų103142.4 Ų142.472%0.7277%0.765SS**  trans-24.1144.3168.553.60000120.4
1495L40.5Very low41.7Very low171 Ų171140.2 Ų140.290%0.89576%0.762SS**  -155.5136122.2-137.177.1000114.1
1496K41.6Very low42Very low194 Ų194137.9 Ų137.984%0.84375%0.753SS**  trans-60.4141.7179-54.5170.7178.1-1750113
1497R40.9Very low42.6Very low232 Ų232137.8 Ų137.888%0.87575%0.752SS**  trans-175.5119.9136.1-106.3155.3-178.6-169.8-0.4118.1
1498H43.3Very low42.4Very low162 Ų162143.1 Ų143.175%0.7577%0.77SS**  trans58.3110.5132.8-78-121000122.3
1499R38.6Very low42.7Very low215 Ų215144.2 Ų144.281%0.81177%0.772SS**  42.8111.8119.1-69.2-176.8168-168.3-5.2119.8
1500S45.7Very low42.8Very low107 Ų107143.3 Ų143.375%0.74877%0.768SS**  trans-152.197.1141.455.30000109.3
1501T47.1Very low42.9Very low127 Ų127143.3 Ų143.378%0.77977%0.769SS**  62.999.78464.60000115.7
1502S43.7Very low43.3Very low66 Ų66145.2 Ų145.246%0.46277%0.769SS.*  trans59.5124.2144.2-160.10000120.5F1504 N1505S1502-F1504 PolarHBondContact OG-N 2.76Å; S1502-N1505 WeakPolarHBondContact OG-CB 3.02Å; S1502-N1505 VanDerWaalsContact OG-CG 3.31Å; S1502-N1505 PolarHBondContact OG-N 3.03Å; S1502-N1505 PolarHBondContact OG-OD1 2.84Å; S1502-N1505 VanDerWaalsContact OG-OD1 3.07Å
1503V49.4Very low43.1Very low113 Ų113146.9 Ų146.969%0.68577%0.769SS**SBendtrans-100.2-24.6155.7177.60000111.5N1505 A1506V1503-N1505 PolarHBondContact O-N 2.65Å; V1503-A1506 WeakPolarHBondContact O-CA 3.38Å; V1503-A1506 VanDerWaalsContact O-CB 3.29Å; V1503-A1506 WeakPolarHBondContact O-CB 3.47Å; V1503-A1506 PolarHBondContact O-N 3.47Å
1504F42.2Very low43.2Very low172 Ų172149.3 Ų149.375%0.75477%0.772SS**G310 helixtrans-77.7-1.2177.8-90.4-78.9000115.1S1502 A1506 L1507S1502-F1504 PolarHBondContact OG-N 2.76Å; F1504-A1506 PolarHBondContact O-N 2.93Å; F1504-L1507 HydrophobicContact CD1-CB 4.47Å; F1504-L1507 HydrophobicContact CD1-CD1 4.36Å; F1504-L1507 HydrophobicContact CE1-CD1 3.83Å; F1504-L1507 HydrophobicContact CZ-CD1 4.22Å
1505N51Low43.9Very low141 Ų141152.6 Ų152.675%0.75478%0.776SS**G310 helixtrans-78.81.6158.3-74.121.8000112.7S1502 V1503S1502-N1505 WeakPolarHBondContact OG-CB 3.02Å; S1502-N1505 VanDerWaalsContact OG-CG 3.31Å; S1502-N1505 PolarHBondContact OG-N 3.03Å; S1502-N1505 PolarHBondContact OG-OD1 2.84Å; S1502-N1505 VanDerWaalsContact OG-OD1 3.07Å; V1503-N1505 PolarHBondContact O-N 2.65Å
1506A48.8Very low44.2Very low73 Ų73151.2 Ų151.260%0.60377%0.767SS**G310 helixtrans-124.718.3-175.700000113.8V1503 F1504V1503-A1506 WeakPolarHBondContact O-CA 3.38Å; V1503-A1506 VanDerWaalsContact O-CB 3.29Å; V1503-A1506 WeakPolarHBondContact O-CB 3.47Å; V1503-A1506 PolarHBondContact O-N 3.47Å; F1504-A1506 PolarHBondContact O-N 2.93Å
1507L45.6Very low44.4Very low139 Ų139147.7 Ų147.773%0.72876%0.761SS**  trans-119.542.2166-81.1167.7000111.2F1504F1504-L1507 HydrophobicContact CD1-CB 4.47Å; F1504-L1507 HydrophobicContact CD1-CD1 4.36Å; F1504-L1507 HydrophobicContact CE1-CD1 3.83Å; F1504-L1507 HydrophobicContact CZ-CD1 4.22Å
1508L36.3Very low44.7Very low225 Ų225140 Ų140100%1.17875%0.75SS**  trans-106.20158.5-163.7174.8000106.5

Retrieved 1,508 of 1,508 residues in 156.4 ms (Link to these results)