A0A3Q0KML1_SCHMA Loading...

Protein kinase domain-containing protein

AlphaFold DB (A0A5K4EN21), UniProt , Accession A0A3Q0KML1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,763 aa.

>A0A3Q0KML1_SCHMA|A0A3Q0KML1
MQSNEGSKSSSYTRTLFGNESSRHSSHNMNSKKHTHSVESTNLPPPPPPPPRYPLKNDGFSLRTGYVVSGTPTEKTPKSPPRTSSLRPRGIPLKREIGSHDLLQPVTYGSAECQILKKPQIITSCSNNANSEKQFPHVDRPVRPFNLSNDNNITTTTSTAVTTTTATSFNNHEKSLKTIEMNKNKVDSLCHADLRSTPLLSRLLAPGFATSVVSSTNSPPSSIQRKGSDQSYTSSENDRSSGLLSSSNPQVLLSETKRQGIEFGLTNSSKFSKKSHETSSWNSPSSSTNVQSINCDWRESINWCNKSETPIVQSNKNQSPNFQPSPDSQCWRTMTSIQRKNDNILPRQSSSNTCSSATQDEMESSIDSPGIFNRGRCDVESNDQNKIYEKSGDFSTNASSSGDADDGIGVNDDDDGDNDHAVHQTPPNDEDIESNTRSDGQDDDDGGGGCGENDDVGVDDNMDSDHDRTLPGENDKTGNHFNNNDSNNSMKIMMIHRSSHSYVNESQELFAVHEEQERRRQQQQDNEHCHHHQSNENKHLPFNYTNSGQKITPQLVLPHSSQEPCGFEEDCPDYSNQMIQEIGDINSQNIIQSPPPPPPPPPPYKIPDHLQPTDDSSFFMNNPWVPSNYHLYPYSQLPHHPPHLLHNHFHQDKLFPINSQYDAKRFVPNPIVLPKSPVWPVFENPNNLLYMKQNNYPPESLSMPYPGGLISKRAICSQNKEEFSRIMKNDFIPPLTSVSSQALGPPIRWCYRGLYMMPRFPVTSTTINNLPVSATAFVLTTTTSHICSLAYEYNAYNRNNNQPLIMNNYQSELPLGSGPVIRQFTEPELFPSSMKSESIHQNTTQMDFTSLLKENQQLKQRLIDINARLQYVDELEWHVQQLSHLVESMILSHQRQCELDYQLQIYSPLSAPVCGVGGGDFHRFKIPPNSSSSSSSPFGLNNDQCSTHHFHNMPANPGSLPVMPTNMSSCRTHPCTAQNITRRVTQPNIMSTRFYGPCVKQTMQPEKIEQRIPMLNSTKRSLHPHLVGSMDPRTVSLDRASQPRNSCTTFPIMECNCIRCPLHETFALPHSKEHAYVNTITKDGVFSTPNVSMIIPNSPCFSPNYRRRRCTMRATTAQFPPSFDNESHLLPHSNVPPLCCSPPPRLPLPVSTSIFTSNKPLSNPTIKITDENKVANLSLKHGNSVSRDSTQPSANITNAKHNKNRPTGLNFMTEKSEILDDSQMLLKHLSPNNEFQCVNGCTVVVTTTCQLTHCYPLCIMDRTLPLNETNSHHNENQTDIGVIITNNNDDNNTSTIVTLTSTTIMTTTSTTTCTSVSSISTNHHSPPHQQFKEKSYLTKPKCTLPNRISKKASTTSTVEQQKQFDMISDESTNKRVKQSSLINRSNTLAKKKYNNNNKSTNVHNKSTITTQPSNKKPRSTASSSHENKMSDNQDADYSGSYEGVSNSNSSHSQSSGASSLEPDSTLSESLSPTKHHYTFKHSISDQKNTTNNNSSSSNSNTIHNQSSNVMIIPELCCSPRYTSPSEIKNSSNSSVVFKDSNSISSTSMHTCSNSPVCTVNSCNIVLSDVRLSSPLQVPSSSNSINSNINIPNVHVNTATSFTPCHSANLNSITLSPPISGHHFIRKSHLIPIISQCIESHLPSPSNYTIGKNHNNQTFTSNIYNPNRSFMNIRPNLLTVPQKPSLQVRFAPPIRINPYSSNSNSSISTTTSTTNSSSSSNKRILFNSSLGSPIFNHSNLNQSSTIDSIVSPNLLRKQYYYYYE
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
1M30.6Very low33.3Very low230 Ų230135.5 Ų135.5100%1.13378%0.783SS**  0123.40-62.9167.3177.900105.7
2Q28.4Very low33.3Very low192 Ų192143.1 Ų143.190%0.89779%0.792SS**  56.112864.4-76.2180-19.700111.2
3S32.2Very low33.3Very low92 Ų92143.3 Ų143.364%0.64380%0.8SS**  cis-160.6-177.57.158.90000112.1
4N32.6Very low33.3Very low127 Ų127148.4 Ų148.468%0.67980%0.801SS**  trans68.8150.5166.1-60.930.1000114.9
5E37.6Very low33.6Very low174 Ų174145.6 Ų145.681%0.81379%0.791SS**  cis-151.5169.3-7.4-104.1149.6-13500105.3
6G36Very low33.4Very low67 Ų67145.9 Ų145.969%0.69179%0.791SS**  cis141.3105.87.100000110.9
7S34.4Very low33.7Very low115 Ų115149.1 Ų149.180%0.80480%0.796SS**  trans59.4110.9164.1-65.40000119.7
8K31.8Very low33.6Very low188 Ų188143.2 Ų143.282%0.81778%0.776SS**  73.297.985.4-74.9-179.7175.3-178.60117.5
9S34.2Very low33.4Very low90 Ų90142.4 Ų142.463%0.62977%0.771SS**  trans-165.4127.1133.7550000108
10S33.9Very low33.5Very low90 Ų90142.7 Ų142.763%0.62977%0.767SS**  cis74.180.746.881.80000115.8
11S34.8Very low33.4Very low126 Ų126140.8 Ų140.888%0.88177%0.765SS**  trans-164131.8136.5-83.80000111.7
12Y32.5Very low33.4Very low226 Ų226133.4 Ų133.489%0.88674%0.736SS**  trans-77.4146.4168.1-101.4-127.3000110.3
13T33.8Very low33.4Very low146 Ų146134.2 Ų134.290%0.89673%0.731SS**  trans-153.6138.3135.2-22.10000109.9
14R33.4Very low33.2Very low215 Ų215137.8 Ų137.881%0.81174%0.737SS**  trans-109.5132.9178.2-155.2-162.1-169-153.65.2109.5
15T37.8Very low33.1Very low106 Ų106136.2 Ų136.265%0.6574%0.736SS**  trans41.6116.1154.6500000119.9
16L29.9Very low32.8Very low151 Ų151132.8 Ų132.879%0.79173%0.732SS**  25.8116128.8-70.3162.4000118
17F38.8Very low32.8Very low199 Ų199138.4 Ų138.487%0.87374%0.739SS**  -166.6143.995.6-108.9-71.7000113.3
18G32.8Very low32.7Very low43 Ų43139.6 Ų139.644%0.44374%0.737SS.*  trans75.598.5133.500000119.7
19N29.6Very low32.9Very low128 Ų128138.1 Ų138.168%0.68473%0.734SS**  trans-50.5141.1167.7-54.8-21.2000114
20E34.5Very low32.8Very low148 Ų148141.1 Ų141.169%0.69274%0.744SS**  trans-117.489.7147.2-73.7-169.6173.600109.7S22 I122E20-S22 PolarHBondContact O-N 3.1Å; E20-I122 HydrophobicContact CG-CG1 4.02Å; E20-I122 PolarHBondContact OE1-N 2.86Å
21S31.7Very low32.9Very low103 Ų103142.2 Ų142.272%0.7275%0.751SS**  trans-75.4113.4171.2-87.60000110.7
22S31.6Very low32.7Very low76 Ų76145.5 Ų145.553%0.53175%0.75SS.*  46.5109.1120.6161.50000118.2E20E20-S22 PolarHBondContact O-N 3.1Å
23R27.4Very low32.8Very low209 Ų209143.7 Ų143.779%0.78975%0.747SS**  trans64.7142.9149-44.4161.7-173.4170.11114.1
24H28.8Very low32.8Very low167 Ų167144.3 Ų144.377%0.77374%0.739SS**  cis-145.5176.830.4-75.4-94.9000107.3
25S30.7Very low32.6Very low93 Ų93139.7 Ų139.765%0.6574%0.735SS**  cis-153.5155.723.5-1680000112.8
26S30.3Very low32.5Very low103 Ų103142.8 Ų142.872%0.7274%0.741SS**  trans-51.6136.4157.7480000112.5
27H35.7Very low32.4Very low185 Ų185140.1 Ų140.186%0.85674%0.736SS**  trans-135.4140.7151.7-112.6-79.1000111.8
28N33.3Very low32.2Very low140 Ų140137.3 Ų137.375%0.74973%0.734SS**SBendtrans71.791.7161.8-119.57000121.1
29M36.2Very low32.1Very low156 Ų156143 Ų14377%0.76875%0.749SS**  5270.4120.8-59.9-57.4172.800119.4S31M29-S31 PolarHBondContact O-N 2.83Å
30N31.1Very low32.1Very low154 Ų154141.3 Ų141.382%0.82475%0.748SS**  26.388.4111.3-170.89.9000116.3
31S36.8Very low32.1Very low113 Ų113139.9 Ų139.979%0.7975%0.749SS**  trans-128129.1164.649.60000110.4M29M29-S31 PolarHBondContact O-N 2.83Å
32K30.2Very low32.4Very low194 Ų194142.7 Ų142.784%0.84376%0.756SS**  trans-74.5136.6-175.6-64172.6177.3175.20111.3
33K34.2Very low32.5Very low189 Ų189146.9 Ų146.982%0.82277%0.772SS**  -179.7166.7127.3-103.1165.7-176-177.90114.4
34H34.5Very low33.1Very low158 Ų158142.2 Ų142.273%0.73177%0.768SS**  trans65.693.2167.5-70.4-66.2000120.2
35T29.8Very low34.2Very low119 Ų119139.8 Ų139.873%0.7377%0.767SS**  trans-47.6137.9136.247.90000113.2
36H34.3Very low34.7Very low170 Ų170141 Ų14179%0.78777%0.773SS**  trans179.4120135-86.5-63.2000105.9
37S28.2Very low35.2Very low96 Ų96141.8 Ų141.867%0.67178%0.776SS**  79.671.168.9-164.70000113.9
38V35.5Very low35.8Very low139 Ų139138.5 Ų138.584%0.84277%0.771SS**  trans-141.4102.4155.2-179.30000103.8
39E30.3Very low36.3Very low162 Ų162137.5 Ų137.576%0.75777%0.772SS**  7413152.4-164149.5-148.500113.2
40S29.9Very low36.4Very low93 Ų93135.9 Ų135.965%0.6577%0.773SS**  trans-6.4134.6176.762.40000118
41T33.7Very low36.8Very low119 Ų119133.5 Ų133.573%0.7377%0.766SS**  -169.1135.662.643.50000111.9
42N37.8Very low36.6Very low161 Ų161140 Ų14086%0.86177%0.774SS**SBendtrans-173.1131.9131.1-99.2-46.9000109.9
43L34.4Very low36.9Very low164 Ų164140.7 Ų140.786%0.85977%0.772SS**  trans-40.6138.7-162-67156.7000117.4
44P40.3Very low37.1Very low111 Ų111137 Ų13772%0.72177%0.767SS**PPolyproline II helixtrans-73.9154.4177.632.3-36000112.7
45P50Low37.1Very low116 Ų116137.7 Ų137.775%0.75378%0.776SS**PPolyproline II helixtrans-66.6152.3175.428.5-35.2000112.3
46P42.9Very low37.5Very low119 Ų119141.6 Ų141.677%0.77378%0.782SS**PPolyproline II helixtrans-66.1152.5-175.926.6-34.7000113.3
47P40.3Very low37.5Very low119 Ų119140.9 Ų140.977%0.77378%0.784SS**PPolyproline II helixtrans-76.4149.5-164.329.6-36.6000114.5
48P48.8Very low37.8Very low117 Ų117143.1 Ų143.176%0.7679%0.789SS**PPolyproline II helixtrans-70.6152.717230.9-35.4000112.1
49P42.2Very low37.6Very low119 Ų119140.3 Ų140.377%0.77379%0.788SS**PPolyproline II helixtrans-69.5156-178.228-34.8000113.5
50P39.7Very low37.7Very low121 Ų121141.1 Ų141.179%0.78679%0.789SS**PPolyproline II helixtrans-75.5145.3-159.3-19.934.4000115.5
51P38.7Very low37.8Very low104 Ų104142 Ų14268%0.67580%0.796SS**PPolyproline II helixtrans-68.3134.5173.2-1730.7000112.7Y53P51-Y53 HydrophobicContact CB-CE2 4.46Å; P51-Y53 PolarHBondContact O-N 2.9Å
52R33.3Very low37.6Very low251 Ų251143.4 Ų143.495%0.94780%0.798SS**  trans-76.798.8166.4-75.2-174175.2-174.7-1.4110
53Y35.5Very low37.3Very low207 Ų207146.6 Ų146.681%0.81280%0.798SS**PPolyproline II helixtrans-67.9132.5168.8-86.8-94.2000111.1P51P51-Y53 HydrophobicContact CB-CE2 4.46Å; P51-Y53 PolarHBondContact O-N 2.9Å
54P38.1Very low37.1Very low111 Ų111145.1 Ų145.172%0.72180%0.796SS**PPolyproline II helixtrans-74.7130.816830.5-32.2000110
55L35.7Very low36.5Very low174 Ų174143.4 Ų143.491%0.91180%0.798SS**PPolyproline II helixtrans-64.7137.3171.4-71.6163.5000109.9
56K37.3Very low35.4Very low200 Ų200148.2 Ų148.287%0.8780%0.803SS**  trans-107152.7170.1-83.4-171.6173.1-176.90110.5
57N34.8Very low35Very low155 Ų155148.5 Ų148.583%0.82980%0.802SS**  trans-61.6162-163.2-55.116.9000115.4
58D34.2Very low34.3Very low144 Ų144148.6 Ų148.677%0.7780%0.8SS**  trans-54.9150.1177.5-54-95.3000115.2F60D58-F60 HydrophobicContact CB-CD2 4.49Å
59G32.2Very low33.6Very low79 Ų79148.9 Ų148.981%0.81481%0.805SS**  trans-146.260.217500000111.5S61G59-S61 PolarHBondContact O-N 3.14Å
60F32.6Very low33.1Very low180 Ų180146.3 Ų146.379%0.78980%0.8SS**  trans-62.8128.8178.5-92.3-93.9000112.2D58 L62D58-F60 HydrophobicContact CB-CD2 4.49Å; F60-L62 HydrophobicContact CD1-CD1 4.12Å
61S32.1Very low32.8Very low112 Ų112147.5 Ų147.578%0.78381%0.805SS**  trans-152.5111.9162.2-1710000110.4G59G59-S61 PolarHBondContact O-N 3.14Å
62L29.5Very low32.5Very low148 Ų148148.6 Ų148.678%0.77581%0.812SS**  trans-97.2124.9171.8-84.181.2000109.9F60F60-L62 HydrophobicContact CD1-CD1 4.12Å
63R30.2Very low32.5Very low227 Ų227143.6 Ų143.686%0.85781%0.81SS**  trans-153.586.4166.9-143.3171.3-169.1-159.91.4110.1
64T30.7Very low32.4Very low134 Ų134141 Ų14182%0.82281%0.805SS**  52.8109.997.958.80000114.9
65G28.4Very low32.1Very low74 Ų74144.7 Ų144.776%0.76381%0.81SS**  trans-178.1127.7174.300000113.8
66Y27.3Very low32Very low218 Ų218142.6 Ų142.686%0.85580%0.804SS**  trans-56.7164.3173.9-60.2-101.2000112.5
67V32.8Very low31.7Very low125 Ų125139.1 Ų139.176%0.75880%0.802SS**  cis-161.3124.649.3173.30000106.6
68V26.8Very low31.7Very low121 Ų121141.6 Ų141.673%0.73381%0.806SS**  66.5138.480.4179.70000116.2
69S34.1Very low31.6Very low123 Ų123140.1 Ų140.186%0.8681%0.806SS**  trans78.6137.2178.776.70000117.5
70G32Very low31.5Very low65 Ų65142.1 Ų142.167%0.6781%0.805SS**  cis-170.3167.9-5.200000116.6
71T32.3Very low31.5Very low145 Ų145139.1 Ų139.189%0.8980%0.804SS**  trans53.5113.9163.2510000120.8
72P33Very low31.3Very low127 Ų127142.1 Ų142.183%0.82580%0.798SS**  trans-95.9153.7168.337.3-32.8000113.6
73T33.2Very low31.2Very low146 Ų146141.7 Ų141.790%0.89680%0.801SS**  trans-113.691.4169.845.70000112.8
74E32.6Very low31.3Very low154 Ų154136.4 Ų136.472%0.7280%0.799SS**  trans8.7114.8139.3-167.4-159.6-113.500118.8
75K32.6Very low31.2Very low187 Ų187135 Ų13581%0.81380%0.795SS**  -169.2139.4116.4-102.5143.5-164.2158.90113.4
76T32.6Very low31.2Very low130 Ų130138.5 Ų138.580%0.79880%0.795SS**  trans-91.2156.2-173.630.40000113.4
77P31.7Very low31.6Very low127 Ų127138.4 Ų138.483%0.82579%0.793SS**  trans-74.1149-176.530.8-36000112.7
78K35.4Very low31.7Very low208 Ų208138.3 Ų138.390%0.90480%0.795SS**  trans-121.3138.7163.6-78.5-176.1175.2179.80110
79S31.1Very low32.2Very low112 Ų112143 Ų14378%0.78380%0.8SS**  trans-81156.3-176.837.60000113.1
80P31.2Very low32Very low121 Ų121140.3 Ų140.379%0.78679%0.791SS**  trans-76.3155.3175.633.4-36.4000111.7
81P31.6Very low32Very low117 Ų117145.4 Ų145.476%0.7680%0.801SS**  -149.8177.5110.740.9-26.1000115.9
82R29.2Very low31.9Very low175 Ų175143.6 Ų143.666%0.6679%0.792SS**  trans67.283.3160.7-71.6-177.5179.2-147.1-8.3119.5E699R82-E699 IonicContact CZ-OE1 3.79Å; R82-E699 IonicContact CZ-OE2 2.85Å; R82-E699 IonicContact NH1-OE2 3.22Å; R82-E699 PolarHBondContact NH1-OE2 3.33Å; R82-E699 IonicContact NH2-OE1 3.29Å; R82-E699 PolarHBondContact NH2-OE1 2.99Å; R82-E699 IonicContact NH2-OE2 3.22Å; R82-E699 PolarHBondContact NH2-OE2 3.41Å
83T26.7Very low31.8Very low139 Ų139145.3 Ų145.385%0.85379%0.794SS**  18.9117.8120.1550000119.1
84S32.6Very low31.8Very low116 Ų116146.8 Ų146.881%0.81179%0.788SS**  trans-148107.9157.465.50000114.1
85S29Very low31.7Very low104 Ų104149.9 Ų149.973%0.72779%0.793SS**  trans40110.7139-149.80000121.9
86L28.5Very low31.8Very low148 Ų148148.3 Ų148.378%0.77579%0.788SS**  41.7107.6129.4-62.5167.7000120.3
87R35Very low31.8Very low216 Ų216148.7 Ų148.782%0.81578%0.784SS**  trans-148.699.7140.5-82.6-162.1173.8154.40.3112.9
88P34.8Very low31.9Very low123 Ų123146.4 Ų146.480%0.79978%0.783SS**  trans-81.4109.8160.2-5.524.2000110
89R37.2Very low31.5Very low220 Ų220141 Ų14183%0.8377%0.772SS**  trans-115.6144.8154.6-67.4173.7170.8174.5-7.3105.8
90G29.2Very low31.6Very low66 Ų66143.7 Ų143.768%0.6877%0.772SS**  cis149.3131.9-2.400000110.1
91I32.5Very low31.8Very low172 Ų172143.6 Ų143.688%0.88277%0.765SS**  trans74.1133.4177.4-52.3178.4000114.9
92P29.4Very low31.8Very low107 Ų107144.9 Ų144.970%0.69576%0.764SS**  trans-108.2-170.1-175.443.2-37.5000114.4
93L31Very low31.9Very low163 Ų163143.9 Ų143.985%0.85377%0.771SS**  trans70.3101.6162-62.4174.3000118.8
94K33.9Very low32.1Very low178 Ų178145.5 Ų145.577%0.77477%0.769SS**  -137.3127.6129.5-101.7-169.7161.8-154.80109.4E96K94-E96 IonicContact NZ-OE1 2.71Å; K94-E96 PolarHBondContact NZ-OE1 3.3Å
95R29.9Very low32Very low219 Ų219145.5 Ų145.583%0.82677%0.767SS**  trans-110.199.4169.1174.8-170.4-82167.3-7106.8I97R95-I97 HydrophobicContact CG-CG1 4.22Å
96E34.6Very low32.2Very low154 Ų154146.9 Ų146.972%0.7277%0.77SS**  trans-91110.8172.9-71.8-179.9177.800108.6K94K94-E96 IonicContact NZ-OE1 2.71Å; K94-E96 PolarHBondContact NZ-OE1 3.3Å
97I34.4Very low32.3Very low138 Ų138146 Ų14671%0.70877%0.771SS**  trans-95.3109.4167.3-66.9171.6000106R95R95-I97 HydrophobicContact CG-CG1 4.22Å
98G32Very low32.1Very low78 Ų78146.3 Ų146.380%0.80477%0.774SS**  trans-81.2125.2167.300000109.8
99S28.6Very low31.8Very low96 Ų96143.6 Ų143.667%0.67177%0.768SS**  trans-134.178.1-177.261.10000111.7
100H33.3Very low31.3Very low167 Ų167139 Ų13977%0.77377%0.769SS**  trans-155.5144.8175-82.7-76.9000106.1
101D33.7Very low31.5Very low120 Ų120140.7 Ų140.764%0.64278%0.777SS**  cis-156.51579.4-111.3-26000112.7
102L31.8Very low31.2Very low143 Ų143141.8 Ų141.875%0.74978%0.779SS**  trans60.3140.6140-69.6169.3000125.4
103L32Very low31.2Very low155 Ų155142.3 Ų142.381%0.81278%0.783SS**  trans92.1152.5147.5-73.7159.4000120.8
104Q30Very low31.1Very low172 Ų172142.8 Ų142.880%0.80478%0.782SS**  trans-107.9154.6-152.7-66.5171-69.700113.5
105P32.2Very low30.8Very low117 Ų117141.9 Ų141.976%0.7678%0.784SS**  trans-72.3141.7167.331.8-34.5000111.2
106V33.1Very low30.9Very low133 Ų133138.5 Ų138.581%0.80678%0.781SS**  trans-95.8120169174.70000108.9Y108V106-Y108 HydrophobicContact CG1-CD2 4.26Å
107T29Very low30.8Very low128 Ų128140.1 Ų140.179%0.78579%0.786SS**  trans-107.7110176.2-490000110.3
108Y30.9Very low30.4Very low224 Ų224142.9 Ų142.988%0.87879%0.793SS**  trans-117.1148.1153.5-90.6-100000106.8V106V106-Y108 HydrophobicContact CG1-CD2 4.26Å
109G28.2Very low30.6Very low66 Ų66144.1 Ų144.168%0.6879%0.786SS**  cis148109.55.100000107.6
110S27.3Very low30.7Very low122 Ų122147.6 Ų147.685%0.85379%0.792SS**  trans-68.5141-164.952.30000114.4
111A33Very low30.4Very low103 Ų103146 Ų14685%0.85179%0.788SS**  trans-148.281.716200000110.8
112E27.1Very low30.2Very low194 Ų194143.8 Ų143.891%0.90778%0.775SS**  trans-80.4129159.6-65.9-174.4121.500108.8
113C28.7Very low30.1Very low118 Ų118143 Ų14380%0.79778%0.776SS**  trans-157.495.5160.8-143.60000113.2
114Q30.1Very low30Very low174 Ų174140.6 Ų140.681%0.81377%0.773SS**  trans34.3106.9137.2-58.11788.600119.3
115I27.6Very low29.8Very low159 Ų159138.2 Ų138.282%0.81577%0.774SS**  9.5124.9123.8-54.7162.3000115.6
116L30.6Very low29.7Very low147 Ų147138.2 Ų138.277%0.7778%0.777SS**  trans-176.2160.1134.9-104.4167000114.9
117K32.9Very low29.3Very low189 Ų189139.3 Ų139.382%0.82278%0.778SS**  trans72.1113.2157.7-73165.3-176.2174.50120.3
118K26.8Very low29.3Very low196 Ų196140.6 Ų140.685%0.85278%0.78SS**  trans-105.5127.9169.7164.3-171.6178.1-176.80110.2
119P36.8Very low29.2Very low104 Ų104133.8 Ų133.868%0.67577%0.77SS**  trans-79.3139.3154.3-8.327.3000109.6
120Q29.5Very low29.2Very low168 Ų168137.8 Ų137.879%0.78578%0.776SS**  60.390.572.1-65.4-173.5-14.700111.9
121I28.2Very low29.5Very low134 Ų134138 Ų13869%0.68778%0.777SS**  8594.567.6-65164.2000112.8
122I28.7Very low29.3Very low73 Ų73142.6 Ų142.637%0.37478%0.781SS.*  trans24.6122131.9-46.9162.6000117.4E20E20-I122 HydrophobicContact CG-CG1 4.02Å; E20-I122 PolarHBondContact OE1-N 2.86Å
123T29.6Very low29.7Very low126 Ų126142.5 Ų142.577%0.77378%0.778SS**  trans-154150.2142.6-52.80000112.4
124S30.8Very low29.8Very low105 Ų105145.3 Ų145.373%0.73478%0.779SS**  trans63.2111.2157.951.60000121.1
125C24.6Very low29.6Very low123 Ų123146 Ų14683%0.83178%0.78SS**  trans-74.3150.4146.3-51.80000110.3
126S29.6Very low29.9Very low117 Ų117143.7 Ų143.782%0.81878%0.775SS**  trans-138.3130.3164.7630000111.5
127N25.1Very low29.6Very low156 Ų156143.8 Ų143.883%0.83477%0.771SS**  trans-82.1137.1179.5-47.2-61.4000110.2
128N28.5Very low29.6Very low155 Ų155141.3 Ų141.383%0.82977%0.772SS**  trans-166.7168.8146.9-124.2-48.3000115.4
129A30.1Very low29.7Very low81 Ų81137.5 Ų137.567%0.66976%0.761SS**  trans6098173.500000115.7
130N27Very low29.3Very low149 Ų149144.1 Ų144.180%0.79777%0.772SS**  52.4101.969.5-61-30000114.4
131S33.8Very low29.6Very low127 Ų127141.6 Ų141.689%0.88877%0.77SS**  trans-177.476.5133.838.70000113.8
132E29.8Very low29.8Very low200 Ų200142.2 Ų142.294%0.93578%0.78SS**  trans-142.2146.9144.8-157.6156.9-131.600110
133K35.6Very low29.8Very low192 Ų192150 Ų15084%0.83581%0.805SS**  trans-114.7132.3-169.8-78.5-174.8176.7-179.60111.8
134Q29.9Very low29.8Very low176 Ų176149.2 Ų149.282%0.82280%0.802SS**  trans75.184139.6-159159.4-0.700118.4
135F26Very low29.7Very low188 Ų188153.9 Ų153.983%0.82581%0.809SS**  trans-23.6168.7133.9-63.1-92000116.9
136P34.4Very low29.9Very low111 Ų111155.9 Ų155.972%0.72181%0.812SS**  cis-134.1153.1-2.816.98.8000117.5
137H25Very low29.9Very low150 Ų150158.1 Ų158.169%0.69481%0.814SS**  43.6124.2120.7-134.1-52.8000121.1D139H137-D139 IonicContact CE1-OD1 3.93Å; H137-D139 IonicContact CE1-OD2 3.17Å; H137-D139 PolarHBondContact CE1-OD2 2.74Å; H137-D139 VanDerWaalsContact CE1-OD2 3.22Å; H137-D139 IonicContact ND1-OD2 2.74Å; H137-D139 PolarHBondContact ND1-OD2 2.85Å
138V31.6Very low30.3Very low136 Ų136156.8 Ų156.882%0.82482%0.817SS**  -176.5135.8117150.50000111.9
139D28.8Very low30.3Very low116 Ų116156 Ų15662%0.6281%0.812SS**  trans-66.5144.9-167-48.2-95.5000117.1H137H137-D139 IonicContact CE1-OD1 3.93Å; H137-D139 IonicContact CE1-OD2 3.17Å; H137-D139 PolarHBondContact CE1-OD2 2.74Å; H137-D139 VanDerWaalsContact CE1-OD2 3.22Å; H137-D139 IonicContact ND1-OD2 2.74Å; H137-D139 PolarHBondContact ND1-OD2 2.85Å
140R29.7Very low30.5Very low244 Ų244158.3 Ų158.392%0.92181%0.813SS**  -172.4159.2101.1-101.9-177.1166.6160.7-1.5114.2
141P34.7Very low30.7Very low115 Ų115157.1 Ų157.175%0.74781%0.807SS**  trans-105.3146.6-166.738.4-33.4000115.6
142V32.2Very low30.6Very low147 Ų147158.7 Ų158.789%0.89181%0.806SS**  trans-138.6150.3157-178.30000108.9
143R29.9Very low30.6Very low235 Ų235156.6 Ų156.689%0.88780%0.799SS**  trans-70.3156.4-176.3-85.4-176.4174.3178.4-1.6113.9
144P29Very low30.2Very low111 Ų111153.2 Ų153.272%0.72180%0.795SS**  trans-83145.1177.134.5-35000112.7
145F27.6Very low30Very low202 Ų202150.5 Ų150.589%0.88679%0.79SS**  trans-146.2107144.7-96.4-74.4000107.8
146N30.7Very low30.1Very low165 Ų165147 Ų14788%0.88279%0.785SS**  trans-129.6116.5163.4-137.5-5.2000106.6
147L29.3Very low29.8Very low165 Ų165147.4 Ų147.486%0.86479%0.785SS**  trans-81.9126.7-177.8-68.6160.2000108.1
148S31.8Very low29.7Very low128 Ų128144.7 Ų144.790%0.89578%0.783SS**  trans-136.1126162.7-1680000108.6
149N28.9Very low29.5Very low138 Ų138144.8 Ų144.874%0.73878%0.784SS**  trans-133.4124.7-174.9179.494.9000106.1
150D34.1Very low29.4Very low129 Ų129143.2 Ų143.269%0.6979%0.787SS**  trans172.9138.7141.7-93.42000113.2
151N31.5Very low29.2Very low124 Ų124137.8 Ų137.866%0.66378%0.781SS**  trans41.4109.3145.9-55.2-54.6000120.1
152N32.1Very low28.8Very low161 Ų161137.7 Ų137.786%0.86178%0.778SS**  59.281.882.7-86.6-33.3000116.4
153I28.7Very low28.6Very low155 Ų155136.1 Ų136.180%0.79577%0.769SS**  trans-139.1115154.8-67.7-170000109.9
154T27.3Very low28.5Very low122 Ų122131.1 Ų131.175%0.74877%0.765SS**  trans39.7131.6153.7-100000124.1
155T26Very low28.6Very low118 Ų118132.4 Ų132.472%0.72477%0.771SS**  trans90.8140141.5-13.60000122.5
156T27.9Very low28.5Very low116 Ų116127.4 Ų127.471%0.71277%0.767SS**  trans93.9113146.13.90000122.1
157T27.9Very low28.3Very low119 Ų119126 Ų12673%0.7377%0.765SS**  trans69.198.3143.131.40000123.2
158S23.6Very low28.1Very low93 Ų93122.8 Ų122.865%0.6576%0.756SS**  73.1126.5116.963.20000123.4
159T26.8Very low27.9Very low138 Ų138125.4 Ų125.485%0.84775%0.752SS**  trans65.5134.2149.645.40000119.1
160A26.9Very low27.7Very low82 Ų82124.7 Ų124.768%0.67875%0.748SS**  cis-165.6180-5.300000112.8
161V26.4Very low27.3Very low130 Ų130125.1 Ų125.179%0.78875%0.75SS**  trans80.3134.6156-137.40000121
162T26.6Very low27.4Very low113 Ų113127.5 Ų127.569%0.69376%0.757SS**  trans80.2102.5147.221.80000123.5
163T27.7Very low27.1Very low114 Ų114126.1 Ų126.170%0.69975%0.745SS**  69.6134.612549.10000124.5
164T27.4Very low27.2Very low131 Ų131127.6 Ų127.680%0.80475%0.746SS**  trans67.4145.1150.348.40000118
165T30.4Very low27.4Very low137 Ų137126 Ų12684%0.8474%0.74SS**  cis-133.9150.112.4-47.30000111.1
166A27.4Very low27.4Very low97 Ų97129.2 Ų129.280%0.80275%0.751SS**  trans-82.8154.5-17800000114
167T26.4Very low27.5Very low137 Ų137132 Ų13284%0.8475%0.754SS**  trans-103.2149.1161.342.50000111.4
168S25.3Very low27.6Very low97 Ų97131.5 Ų131.568%0.67875%0.751SS**  trans78.4101.1139.9-174.20000121.9
169F27.1Very low27.9Very low183 Ų183135.6 Ų135.680%0.80376%0.763SS**  trans76.3124.3130.6-80.9-97.9000123.4
170N25Very low27.9Very low122 Ų122136.8 Ų136.865%0.65276%0.759SS**  trans52115.8135.3-86.2-16.4000122.8
171N26.1Very low28Very low138 Ų138140 Ų14074%0.73876%0.762SS**  41.7110.4113.8-67.4-48.8000119.5
172H32.5Very low28.1Very low175 Ų175140.9 Ų140.981%0.8176%0.762SS**  -155.5155.4122-115.2-63.8000111.6
173E26.6Very low28.2Very low132 Ų132143.4 Ų143.462%0.61776%0.764SS**  trans-83.5146.2-179.1-13.586.3102.100112.1
174K30.6Very low28.4Very low186 Ų186144.2 Ų144.281%0.80976%0.764SS**  175.4167.3125.6-93144.6-160.81540112.1
175S30.1Very low28.6Very low89 Ų89147.1 Ų147.162%0.62277%0.765SS**  trans6479.1169.2-176.20000116K177S175-K177 PolarHBondContact O-N 2.98Å; S175-K177 VanDerWaalsContact O-N 3.16Å
176L26.6Very low28.5Very low185 Ų185147.5 Ų147.597%0.96977%0.767SS**  trans-56.9118.1145.1-7790000107.8
177K30.6Very low28.7Very low175 Ų175149.7 Ų149.776%0.76177%0.765SS**  trans-142132.8170.1-119.9-176179.8-177.60110.3S175S175-K177 PolarHBondContact O-N 2.98Å; S175-K177 VanDerWaalsContact O-N 3.16Å
178T29.6Very low28.8Very low108 Ų108149 Ų14966%0.66377%0.766SS**  trans47.994.7155.5-42.80000116.2E180T178-E180 HydrophobicContact CG2-CB 4.2Å; T178-E180 PolarHBondContact O-N 3.36Å
179I30.4Very low28.9Very low178 Ų178152.6 Ų152.691%0.91378%0.777SS**  trans-66.1103.8151.7-68.1176.7000106.8M181I179-M181 PolarHBondContact O-N 3.49Å
180E27.5Very low28.9Very low163 Ų163149 Ų14976%0.76277%0.773SS**  trans-8596.3-175.3-170169.8177.800111.3T178 N182T178-E180 HydrophobicContact CG2-CB 4.2Å; T178-E180 PolarHBondContact O-N 3.36Å; E180-N182 PolarHBondContact O-N 2.84Å; E180-N182 VanDerWaalsContact O-N 3.13Å
181M28.2Very low29.2Very low150 Ų150151.6 Ų151.674%0.73978%0.781SS**  trans45.856.3137.6-68.6-84.4-81.300117.7I179 K183I179-M181 PolarHBondContact O-N 3.49Å; M181-K183 PolarHBondContact O-N 2.89Å; M181-K183 VanDerWaalsContact O-N 3.11Å
182N28.4Very low29.3Very low148 Ų148149.7 Ų149.779%0.79178%0.784SS**  trans-76.199.2160.7-166.6-6.2000110.4E180 N184E180-N182 PolarHBondContact O-N 2.84Å; E180-N182 VanDerWaalsContact O-N 3.13Å; N182-N184 PolarHBondContact O-N 3.1Å
183K29.5Very low29.2Very low167 Ų167147.5 Ų147.573%0.72678%0.778SS**  trans-70.3103.9174-69.5173.6177.3172.90111M181M181-K183 PolarHBondContact O-N 2.89Å; M181-K183 VanDerWaalsContact O-N 3.11Å
184N30.7Very low29.6Very low131 Ų131148.7 Ų148.770%0.70179%0.788SS**  trans-15492146.6-86.5-47.2000108.3N182 V186N182-N184 PolarHBondContact O-N 3.1Å; N184-V186 PolarHBondContact O-N 2.96Å
185K31.4Very low29.7Very low192 Ų192151 Ų15184%0.83579%0.792SS**  49.669.7103.2-78.1-161.5167.3-163.10113.4D187K185-D187 VanDerWaalsContact C-N 3.31Å
186V28.7Very low29.6Very low144 Ų144151.3 Ų151.387%0.87379%0.794SS**  trans-103.156.4155.2-1710000107.5N184N184-V186 PolarHBondContact O-N 2.96Å
187D31Very low30Very low143 Ų143147.4 Ų147.477%0.76578%0.778SS**  trans-128.776.2-178.8-77-58.1000109K185K185-D187 VanDerWaalsContact C-N 3.31Å
188S29.3Very low30.3Very low123 Ų123140.6 Ų140.686%0.8675%0.752SS**  trans-168.250.9162-89.80000109.9
189L27.2Very low30.3Very low173 Ų173139 Ų13991%0.90674%0.739SS**  trans-128.550.1167.4-162.474.1000110.5
190C26.2Very low30.2Very low106 Ų106133.8 Ų133.872%0.71671%0.712SS**SBendtrans-143.2124.1170-85.10000109
191H31.6Very low30.2Very low178 Ų178128.7 Ų128.782%0.82469%0.694SS**  trans60.782.8163.8-47.8-56.3000118.7
192A27.7Very low30.4Very low97 Ų97131.8 Ų131.880%0.80270%0.698SS**  trans-138.457.9137.300000108.9L194A192-L194 PolarHBondContact O-N 3.46Å
193D31.4Very low30.6Very low130 Ų130131.2 Ų131.270%0.69569%0.694SS**  trans-75.2120173.3-168.2-23.8000109.1R195D193-R195 PolarHBondContact O-N 3.42Å; D193-R195 VanDerWaalsContact O-N 3.16Å; D193-R195 PolarHBondContact OD1-N 3.26Å
194L34.8Very low30.6Very low157 Ų157126.8 Ų126.882%0.82268%0.678SS**THydrogen-bonded Turntrans-78.512.2-175.9-78.5160.8000113.5A192A192-L194 PolarHBondContact O-N 3.46Å
195R32.7Very low30.6Very low234 Ų234124.6 Ų124.688%0.88368%0.678SS**THydrogen-bonded Turntrans-112.831.4177.3-84.7-176160.2168.9-5.4116D193D193-R195 PolarHBondContact O-N 3.42Å; D193-R195 VanDerWaalsContact O-N 3.16Å; D193-R195 PolarHBondContact OD1-N 3.26Å
196S28.9Very low30.4Very low96 Ų96120.6 Ų120.667%0.67167%0.672SS**  trans-139.578.513935.40000111.6P198S196-P198 VanDerWaalsContact O-CD 3.29Å; S196-P198 WeakPolarHBondContact O-CD 3.46Å
197T33.9Very low30.5Very low102 Ų102117.3 Ų117.363%0.62667%0.667SS**  trans-90.4107.5132.747.10000110N1553T197-N1553 PolarHBondContact O-ND2 3.48Å
198P36.8Very low30.3Very low33 Ų33119 Ų11921%0.21467%0.667CS.*  trans-84.1166158.4-20.340.5000110.3S196 T1550 C1551 S1552 N1553S196-P198 VanDerWaalsContact O-CD 3.29Å; S196-P198 WeakPolarHBondContact O-CD 3.46Å; P198-T1550 VanDerWaalsContact O-O 3.13Å; P198-C1551 HydrophobicContact CB-CB 4.17Å; P198-S1552 VanDerWaalsContact C-N 3.26Å; P198-N1553 HydrophobicContact CB-CB 4.22Å; P198-N1553 VanDerWaalsContact CB-N 3.28Å
199L30.5Very low30Very low75 Ų75117.7 Ų117.739%0.39366%0.664SS.*  trans-116.812-157.6-88.4161.8000119.8S201 R202 S1552L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 3.36Å; L199-R202 PolarHBondContact O-N 2.98Å; L199-S1552 VanDerWaalsContact C-OG 3.24Å; L199-S1552 VanDerWaalsContact CA-OG 3.27Å; L199-S1552 WeakPolarHBondContact CA-OG 3.32Å; L199-S1552 VanDerWaalsContact CB-OG 3.32Å; L199-S1552 WeakPolarHBondContact CB-OG 3.2Å; L199-S1552 PolarHBondContact N-OG 3.32Å; L199-S1552 VanDerWaalsContact N-OG 3.07Å
200L27.1Very low30.2Very low67 Ų67115.3 Ų115.335%0.35166%0.657SS.*THydrogen-bonded Turntrans-71.433.9-166.2-130.4159.5000118.1L203 C1551 S1552L200-L203 HydrophobicContact CD2-CB 4.3Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; L200-C1551 VanDerWaalsContact CB-C 3.43Å; L200-C1551 VanDerWaalsContact CB-N 3.26Å; L200-C1551 WeakPolarHBondContact CB-O 3.24Å; L200-C1551 VanDerWaalsContact CD1-O 3.25Å; L200-C1551 WeakPolarHBondContact CD1-O 3.42Å; L200-S1552 PolarHBondContact N-OG 3.37Å
201S29.2Very low30.1Very low56 Ų56114.9 Ų114.939%0.39266%0.656SS.*THydrogen-bonded Turntrans-120.215.2160.277.40000112.2L199 L203 T1550L199-S201 VanDerWaalsContact C-N 3.25Å; L199-S201 PolarHBondContact O-N 3.36Å; S201-L203 VanDerWaalsContact C-N 3.27Å; S201-T1550 WeakPolarHBondContact CB-OG1 3.16Å; S201-T1550 WeakPolarHBondContact OG-CG2 3.26Å; S201-T1550 PolarHBondContact OG-OG1 3.2Å
202R31.9Very low30Very low215 Ų215113 Ų11381%0.81166%0.656SS**SBendtrans-87.15.6156.6-79.9-174164.4-178.4-5.5113.2L199L199-R202 PolarHBondContact O-N 2.98Å
203L31.3Very low29.8Very low136 Ų136113.3 Ų113.371%0.71265%0.648SS**SBendtrans-119.68.6174.8-65.8176.7000113.6L200 S201L200-L203 HydrophobicContact CD2-CB 4.3Å; L200-L203 HydrophobicContact CD2-CD1 4.35Å; S201-L203 VanDerWaalsContact C-N 3.27Å
204L29.5Very low29.3Very low75 Ų75112.2 Ų112.239%0.39365%0.651SS.*  trans-125.456.1167.2-73173.7000110.4I1543 T1546L204-I1543 HydrophobicContact CD1-CG2 3.97Å; L204-I1543 HydrophobicContact CD2-CD1 4.45Å; L204-I1543 HydrophobicContact CD2-CG2 4.21Å; L204-T1546 VanDerWaalsContact CD1-CB 3.44Å; L204-T1546 HydrophobicContact CD1-CG2 3.97Å
205A31Very low28.8Very low84 Ų84109.9 Ų109.969%0.69465%0.647SS**  trans-106.3108151.400000106.5G207A205-G207 PolarHBondContact O-N 3.31Å
206P28.6Very low28.6Very low109 Ų109103.6 Ų103.671%0.70864%0.635SS**  trans-69.268.7176.7-22.636.1000112.5F208P206-F208 VanDerWaalsContact C-N 3.29Å; P206-F208 PolarHBondContact O-N 2.76Å
207G29.7Very low28.7Very low74 Ų74106 Ų10676%0.76364%0.64SS**  trans-70.982.9173.800000110.5A205 A209A205-G207 PolarHBondContact O-N 3.31Å; G207-A209 PolarHBondContact O-N 2.85Å
208F26.6Very low28.3Very low178 Ų178105.7 Ų105.778%0.78164%0.643SS**  trans-54.7130-178.5-100.8-101.7000112.4P206 T210P206-F208 VanDerWaalsContact C-N 3.29Å; P206-F208 PolarHBondContact O-N 2.76Å; F208-T210 PolarHBondContact O-N 3.49Å
209A23.5Very low28.1Very low96 Ų96110.1 Ų110.179%0.79367%0.671SS**  trans-75.2102.7161.500000109.5G207G207-A209 PolarHBondContact O-N 2.85Å
210T31Very low28.3Very low123 Ų123112 Ų11276%0.75569%0.688SS**  trans-103.8108.3158.952.20000107.3F208F208-T210 PolarHBondContact O-N 3.49Å
211S24.5Very low28.3Very low98 Ų98113.6 Ų113.669%0.68571%0.705SS**  67.556.654.7-158.80000113.9
212V29.2Very low28.2Very low137 Ų137115.9 Ų115.983%0.8372%0.721SS**  trans-136.796.8145.3-178.90000105.2
213V23.2Very low28.3Very low104 Ų104113.4 Ų113.463%0.6372%0.722SS**  69.4106.263.4-177.80000112.2
214S22.3Very low28.2Very low108 Ų108113.8 Ų113.876%0.75572%0.72SS**  trans46119.8150.5-52.10000117.6
215S23.9Very low28.2Very low107 Ų107120.5 Ų120.575%0.74874%0.74SS**  171.717465.443.80000107.6
216T28.2Very low28.1Very low102 Ų102126.3 Ų126.363%0.62675%0.75SS**  cis-165.315541.455.20000111.7
217N30.2Very low28.2Very low146 Ų146124.6 Ų124.678%0.78175%0.752SS**  trans63.9157.5151.7-55.2-27000118.6
218S26Very low28.3Very low97 Ų97126.6 Ų126.668%0.67875%0.754SS**  cis-165.6143.7-31.6-92.60000108.1
219P32.7Very low28.8Very low125 Ų125125.8 Ų125.881%0.81276%0.758SS**  trans-87.1146.5-173.633.8-35.5000114
220P34.3Very low29.2Very low115 Ų115130.1 Ų130.175%0.74776%0.762SS**  trans-99.1113.1162.233.4-27.1000112.6S222P220-S222 PolarHBondContact O-N 3.41Å
221S28.1Very low29.1Very low101 Ų101129 Ų12971%0.70676%0.759SS**  trans-1.9115.9136.953.10000116.4
222S26.4Very low29.1Very low104 Ų104134.6 Ų134.673%0.72777%0.766SS**  60.699.478.679.50000116.1P220P220-S222 PolarHBondContact O-N 3.41Å
223I33.1Very low29.1Very low163 Ų163133.6 Ų133.684%0.83676%0.761SS**  trans-167.3107149.6-97.6145.3000106.2
224Q29.8Very low29.2Very low143 Ų143133.8 Ų133.867%0.66877%0.767SS**  78.4116.183.6-115.9-166.983.300116.2
225R29.9Very low29.5Very low216 Ų216133.7 Ų133.782%0.81577%0.766SS**  trans76.1157157.1-54175.8-169.8-142.3-0.7118.8
226K29.6Very low29.7Very low207 Ų207136.8 Ų136.890%0.977%0.769SS**  cis-170.4134.1-40-153.3-177.3-174.7-1720109.4
227G31Very low29.7Very low73 Ų73138.3 Ų138.375%0.75377%0.773SS**  trans90.5160.2170.700000114.4
228S31.9Very low29.9Very low115 Ų115138.5 Ų138.580%0.80477%0.774SS**  cis141.272.9-12.3171.10000109.3
229D35.1Very low29.8Very low162 Ų162144.1 Ų144.187%0.86678%0.781SS**  trans-99.6119.8175.6-71.2-54000111.8
230Q32.4Very low29.7Very low187 Ų187143.6 Ų143.687%0.87478%0.78SS**  trans-156.3159.3153.4-87.3-143.918.700111.2
231S28.6Very low29.3Very low100 Ų100143.9 Ų143.970%0.69978%0.784SS**  trans74.3101.8159.751.60000121.5
232Y25.7Very low29.5Very low214 Ų214142.5 Ų142.584%0.83979%0.787SS**  trans92.8117.6130.7-86.4-104.4000123
233T28.9Very low29.5Very low117 Ų117145.3 Ų145.372%0.71879%0.792SS**  trans60.2123.7144.4530000119.9
234S25.4Very low29.5Very low107 Ų107145.7 Ų145.775%0.74880%0.795SS**  cis1029126.476.70000115.6
235S28Very low29.4Very low107 Ų107144 Ų14475%0.74880%0.799SS**  trans-173.6105.415654.20000107
236E29.2Very low29.4Very low172 Ų172139.7 Ų139.780%0.80480%0.802SS**  78.5129.289.9-84-16192.600115.4
237N27.1Very low29.3Very low134 Ų134135.1 Ų135.172%0.71780%0.797SS**  trans44.4115.1155.6-58.3-48.9000119.5
238D33.8Very low29.1Very low149 Ų149139.1 Ų139.180%0.79780%0.8SS**  -149165.6107-134.9-26.2000114.7
239R24.9Very low29.2Very low216 Ų216138.5 Ų138.582%0.81579%0.794SS**  trans-97145.5-166.9-55.7135.9148.5175.2-7.8112.7
240S30.6Very low28.8Very low114 Ų114139.8 Ų139.880%0.79779%0.794SS**  trans174.3127.313130.90000109.6
241S26.8Very low28.7Very low120 Ų120138 Ų13884%0.83980%0.796SS**  97.498.459.1-65.90000112
242G30.3Very low28.6Very low73 Ų73140.9 Ų140.975%0.75380%0.803SS**  trans164.982.4-176.300000109.4
243L28.1Very low28.6Very low162 Ų162138 Ų13885%0.84880%0.801SS**  cis69.353.644.6-68.6177000115.1
244L33.2Very low28.7Very low171 Ų171138.4 Ų138.490%0.89581%0.809SS**  trans-122117.6136.9-64.8173.6000106.1
245S26.9Very low29Very low108 Ų108141.8 Ų141.876%0.75581%0.813SS**  81.270.155.2-174.70000114.5
246S29.8Very low28.9Very low126 Ų126142.4 Ų142.488%0.88181%0.812SS**  -168.8165.3125.949.20000111
247S27Very low28.7Very low111 Ų111143.6 Ų143.678%0.77681%0.814SS**  trans-134.1174.7-171.754.60000112.6
248N26.6Very low28.9Very low156 Ų156149.5 Ų149.583%0.83483%0.827SS**  trans78.9151.7174.8-92.95.3000118
249P35.2Very low28.5Very low102 Ų102152 Ų15266%0.66283%0.834SS**  -142.1-172.8-123.642.7-22.6000116
250Q25.6Very low28.8Very low189 Ų189144.7 Ų144.788%0.88383%0.826SS**  trans11.8114.1152.7-65.8-177.9-11.600119
251V31.2Very low28.7Very low149 Ų149146.2 Ų146.290%0.90382%0.823SS**  trans-129.6146.7132.8179.50000107.5
252L27.4Very low28.7Very low161 Ų161147.7 Ų147.784%0.84382%0.817SS**  trans-77166.2-173.9-83.9133.6000114.1
253L25.3Very low28.7Very low155 Ų155152.7 Ų152.781%0.81282%0.818SS**  trans-59.8153.8168.6-62.493.3000111.9
254S30.4Very low28.7Very low125 Ų125148 Ų14887%0.87481%0.81SS**  trans-150.7142.9154.3-74.20000108.8
255E30.9Very low28.7Very low178 Ų178147.3 Ų147.383%0.83281%0.806SS**  trans-93.5141.9-158.3-69.9177.9100.700115.5
256T27.4Very low28.9Very low119 Ų119147.4 Ų147.473%0.7380%0.802SS**  43.896.2129.2-44.90000119.1
257K25.4Very low29Very low197 Ų197148.3 Ų148.386%0.85780%0.797SS**  173.3122.7126.6-99.1166.5-176.9176.60113.5
258R29.3Very low29.4Very low259 Ų259147.4 Ų147.498%0.97779%0.79SS**  trans-171.8160.1144.1-103.9158.6-160-102.61.5110
259Q26.3Very low29.6Very low201 Ų201145 Ų14594%0.93979%0.786SS**  trans-147.8135.7-166.4-173.6174.56.700108.4
260G30.3Very low29.5Very low63 Ų63147.7 Ų147.765%0.64979%0.787SS**  trans171.3122.1176.100000118.3
261I28.9Very low30Very low146 Ų146146.6 Ų146.675%0.74978%0.78SS**  76.3112.8125.1-62.5165.2000120.3
262E27.4Very low30Very low150 Ų150141.9 Ų141.970%0.70175%0.754SS**  trans39.6137.7137.5-53.7178.2110.200123.6
263F31.2Very low30.6Very low178 Ų178140.7 Ų140.778%0.78174%0.742SS**  167.4124.898.1-98.9-72.6000116.1
264G26.8Very low31Very low65 Ų65139.8 Ų139.867%0.6773%0.731SS**  78.6122.111500000125.9
265L33.9Very low31.1Very low156 Ų156135.3 Ų135.382%0.81770%0.7SS**  95.599.9122.1-59177.6000125.3
266T30.1Very low31.2Very low109 Ų109133 Ų13367%0.66969%0.689SS**  71.4151.6121.663.60000126.4
267N33.1Very low31.4Very low145 Ų145134.3 Ų134.378%0.77569%0.687SS**  trans82.7149.5149.3-68.1-32.7000121.3
268S34.2Very low31.7Very low92 Ų92130.9 Ų130.964%0.64368%0.682SS**  cis-175.4152.2-22.957.10000114.5
269S31.6Very low31.7Very low106 Ų106124.1 Ų124.174%0.74168%0.675SS**  trans71.9163.7147.689.60000119.9
270K32.8Very low31.8Very low158 Ų158119.9 Ų119.969%0.68767%0.667SS**  cis-169.6159-11-129.8171.4169.5174.60113.8
271F35.8Very low31.5Very low167 Ų167128.5 Ų128.573%0.73268%0.681SS**  trans67.5162.3155.2-65.1-52.4000121.4
272S31.9Very low31.6Very low50 Ų50128.9 Ų128.935%0.3568%0.684SS.*  cis161.9157.8-41.6170.50000113.7D459S272-D459 WeakPolarHBondContact CA-OD2 3.23Å; S272-D459 WeakPolarHBondContact CB-OD2 3.33Å; S272-D459 PolarHBondContact OG-OD1 3.3Å; S272-D459 PolarHBondContact OG-OD2 3.17Å
273K40.4Very low31.5Very low135 Ų135126.7 Ų126.759%0.58769%0.685SS**  trans86.3143.3158.1-85.5154.9-170169.30120.4D459 D460K273-D459 WeakPolarHBondContact CA-OD1 3.46Å; K273-D459 PolarHBondContact N-OD1 3.02Å; K273-D460 VanDerWaalsContact C-OD1 3.29Å; K273-D460 VanDerWaalsContact CA-CG 3.46Å; K273-D460 WeakPolarHBondContact CA-OD1 2.98Å; K273-D460 WeakPolarHBondContact CA-OD2 3.5Å; K273-D460 PolarHBondContact N-OD2 2.88Å
274K33.3Very low31.8Very low136 Ų136124 Ų12459%0.59169%0.686SS**  cis-157.8122.918.8-150.8-144.6170.3-1580119.4D460 N461K274-D460 WeakPolarHBondContact CA-OD1 3.13Å; K274-D460 PolarHBondContact N-OD1 3.25Å; K274-D460 PolarHBondContact N-OD2 3.09Å; K274-N461 WeakPolarHBondContact O-CB 3.3Å; K274-N461 PolarHBondContact O-ND2 2.98Å
275S32.1Very low31.7Very low31 Ų31126.5 Ų126.522%0.21769%0.693CS.*  trans47144.4136.474.70000128.8D460 N461S275-D460 PolarHBondContact N-OD1 3.18Å; S275-D460 VanDerWaalsContact N-OD1 3.11Å; S275-N461 PolarHBondContact O-ND2 2.77Å; S275-N461 VanDerWaalsContact O-ND2 3.15Å; S275-N461 PolarHBondContact O-OD1 3.39Å
276H33.6Very low31.3Very low130 Ų130124.5 Ų124.560%0.60269%0.692SS**  trans88.8168.6146.5-63.5-56.2000123.7N461H276-N461 PolarHBondContact O-OD1 3.25Å
277E30.4Very low31.2Very low147 Ų147124 Ų12469%0.68769%0.693SS**  -176.6151.6-63.5-110.9-175.2136.500117.2
278T31.4Very low30.8Very low124 Ų124123 Ų12376%0.76169%0.692SS**  trans65.2125.3147.257.70000125.1
279S30.9Very low30.4Very low118 Ų118125.1 Ų125.183%0.82570%0.696SS**  trans-170.2156.8148.545.70000108.7
280S27.8Very low30.2Very low112 Ų112125.3 Ų125.378%0.78369%0.693SS**  cis-163.1150.4-17.851.20000109.5
281W23.1Very low29.9Very low244 Ų244125.3 Ų125.392%0.92470%0.695SS**  trans-82.6153.3-179-81.534.2000114.7
282N31.2Very low29.4Very low154 Ų154122 Ų12282%0.82469%0.693SS**  trans-172122.6136.4-105.9-53.1000116
283S26.5Very low29.6Very low103 Ų103127 Ų12772%0.7271%0.714SS**  trans45.3131144.3-56.30000124.5
284P36.3Very low28.8Very low123 Ų123127 Ų12780%0.79972%0.721SS**  trans-96.3166.6166.439.4-34.9000113.5
285S24.9Very low28.8Very low116 Ų116125.7 Ų125.781%0.81173%0.727SS**  trans-171.8162.7161.9-92.80000115.1
286S26.7Very low28.9Very low115 Ų115131.2 Ų131.280%0.80475%0.754SS**  trans71.5148.2172.1820000116.1
287S27.4Very low28.7Very low99 Ų99135.7 Ų135.769%0.69277%0.766SS**  cis172.4151.8-19.352.60000106.5
288T25.3Very low28.5Very low124 Ų124139.6 Ų139.676%0.76177%0.774SS**  cis-175.5161.8-7.326.20000106.3
289N24.9Very low28.5Very low135 Ų135141 Ų14172%0.72277%0.773SS**  trans71152.6159.3-111.3-15.9000115.4
290V28.1Very low28.5Very low110 Ų110140 Ų14067%0.66777%0.765SS**  cis-134.912811.1178.50000111
291Q26.4Very low28.6Very low159 Ų159141.9 Ų141.974%0.74377%0.765SS**  trans26153.5140.7-56.1169.5-17.700122
292S25.7Very low29Very low98 Ų98138 Ų13869%0.68576%0.762SS**  cis-178.3-173.2-13.8-89.50000107.9
293I34.4Very low28.7Very low153 Ų153142 Ų14279%0.78577%0.766SS**  trans73.691.4177-45.6163.9000110.6
294N24.2Very low28.6Very low137 Ų137141 Ų14173%0.73376%0.758SS**  cis56.795.936-174.917000114.3
295C34Very low28.3Very low108 Ų108142.2 Ų142.273%0.7376%0.758SS**  trans-155.455.6154.3-113.20000110.3W297C295-W297 PolarHBondContact O-N 2.84Å
296D33.5Very low28.4Very low146 Ų146145.8 Ų145.878%0.78176%0.759SS**  trans-65.2116.8171.4-87.8-39.1000110.3R298D296-R298 VanDerWaalsContact C-N 3.35Å; D296-R298 PolarHBondContact O-N 3.05Å
297W28.8Very low28.5Very low224 Ų224145.5 Ų145.585%0.84876%0.757SS**  trans-72.586.5178.7-87.879.1000111.3C295 E299C295-W297 PolarHBondContact O-N 2.84Å; W297-E299 PolarHBondContact O-N 2.91Å
298R27.4Very low28.7Very low229 Ų229149.3 Ų149.386%0.86476%0.764SS**  trans-74.6111.8162.3-66.2176.5176.9-91-2.1109.7D296D296-R298 VanDerWaalsContact C-N 3.35Å; D296-R298 PolarHBondContact O-N 3.05Å
299E32.1Very low28.7Very low155 Ų155149.4 Ų149.472%0.72476%0.764SS**  trans-154.2142.5159.6-125.4171.1-147.500113.1W297W297-E299 PolarHBondContact O-N 2.91Å
300S30.2Very low29.1Very low96 Ų96147.8 Ų147.867%0.67176%0.761SS**  trans47.581.9156.9-53.80000117.2
301I29.6Very low28.9Very low152 Ų152149.7 Ų149.778%0.77977%0.766SS**  47.4101.971.2-48.3172.7000112.9
302N30.6Very low29.1Very low162 Ų162148 Ų14887%0.86677%0.766SS**  -158162112.3-127.1-37.8000114.3
303W25.6Very low29.2Very low239 Ų239150.9 Ų150.991%0.90577%0.769SS**  trans-109.9156.5-169.3-133.6-58.9000112
304C24.9Very low28.8Very low82 Ų82148.2 Ų148.255%0.55476%0.764SS**  trans61.4113.2146.6-1560000120.4
305N30.1Very low29.2Very low148 Ų148149.2 Ų149.279%0.79177%0.769SS**  177.5120.6115.7-81.8-26.5000107.3
306K26.8Very low29Very low191 Ų191154 Ų15483%0.8378%0.778SS**  58.58956.3-74.2-166173.4-176.80115.2
307S28.7Very low28.7Very low109 Ų109154.7 Ų154.776%0.76278%0.781SS**  -175.5157.8125.956.50000113.3
308E31.4Very low28.6Very low178 Ų178152.9 Ų152.983%0.83278%0.782SS**  trans62.881.9154.8-68.9176.6145.200121.5
309T25.2Very low28.6Very low126 Ų126147.1 Ų147.177%0.77378%0.777SS**  -39.9165.5120.946.70000115.2
310P33.2Very low28.9Very low102 Ų102145.9 Ų145.966%0.66278%0.783SS**  cis-143.4-163.7-22.336.9-15000113.7
311I24.8Very low28.7Very low150 Ų150147.8 Ų147.877%0.76979%0.785SS**  trans65.4111.5160.2-56.4160.4000116.7
312V30.1Very low28.6Very low122 Ų122148.9 Ų148.974%0.73979%0.785SS**  -157.6127.4110143.10000110.2
313Q28.4Very low28.6Very low160 Ų160149.7 Ų149.775%0.74878%0.783SS**  trans27.7102.1157.5-64.8170.7-43.500120N315Q313-N315 PolarHBondContact O-N 2.77Å
314S26.4Very low28.7Very low97 Ų97143.1 Ų143.168%0.67877%0.771SS**  23.792.5112.762.10000117.8
315N31.2Very low28.9Very low158 Ų158144 Ų14485%0.84578%0.778SS**  trans-144.778.7135.3-97.1-42.4000108.1Q313 N317Q313-N315 PolarHBondContact O-N 2.77Å; N315-N317 PolarHBondContact O-N 2.64Å
316K29.2Very low29Very low208 Ų208143.4 Ų143.490%0.90478%0.782SS**  trans-67.699174.8-85.3-168.9172.9-175.90108.9Q318K316-Q318 PolarHBondContact O-N 3.4Å
317N28.7Very low29.2Very low160 Ų160140.5 Ų140.586%0.85678%0.776SS**  trans-59.9105.7158.7-70.2-60.9000108.1N315N315-N317 PolarHBondContact O-N 2.64Å
318Q26.9Very low29.3Very low187 Ų187140.2 Ų140.287%0.87477%0.774SS**  trans-100.783.7168-147.71721300108.5K316K316-Q318 PolarHBondContact O-N 3.4Å
319S26.2Very low29.2Very low108 Ų108139.9 Ų139.976%0.75577%0.773SS**  trans-145.6142.8164.2-78.50000107.9
320P38.7Very low29.6Very low129 Ų129140.1 Ų140.184%0.83878%0.778SS**  -93.2163.2-12933.6-37.7000113.5
321N27Very low29.2Very low136 Ų136146.2 Ų146.273%0.72779%0.788SS**  trans-149.3141174.2-131-8.2000112.3
322F26Very low29.4Very low175 Ų175150 Ų15077%0.76879%0.792SS**  trans44.5104.8167.6-61.7-74.5000120
323Q31Very low29.4Very low179 Ų179148.9 Ų148.984%0.83679%0.786SS**  -157.1109.8109-156.9169.58.700111.4
324P28.7Very low29.3Very low100 Ų100149.4 Ų149.465%0.64979%0.79SS**  trans-107.4104.9166.533-22.4000110.4
325S29.1Very low29.5Very low100 Ų100149.2 Ų149.270%0.69979%0.786SS**  trans-63.8140.5170.7-64.10000111D327S325-D327 VanDerWaalsContact C-N 3.34Å; S325-D327 PolarHBondContact O-N 3.35Å
326P31.7Very low29.2Very low136 Ų136146.3 Ų146.388%0.88378%0.778SS**  trans-83.375.7-177.534.8-35.9000111.4
327D30.9Very low29.4Very low131 Ų131144 Ų14470%0.70177%0.773SS**  trans-110.995159.2-143.5-29.1000111.9S325 Q329S325-D327 VanDerWaalsContact C-N 3.34Å; S325-D327 PolarHBondContact O-N 3.35Å; D327-Q329 VanDerWaalsContact C-N 3.28Å; D327-Q329 PolarHBondContact O-N 2.88Å
328S31.4Very low29.3Very low103 Ų103144.6 Ų144.672%0.7277%0.771SS**SBendtrans52.10.9147.563.10000122.3C330S328-C330 PolarHBondContact O-N 3.04Å
329Q29.7Very low29.7Very low171 Ų171147 Ų14780%0.79977%0.772SS**  trans-7992169.8-67.5-157.414.800112.4D327 W331D327-Q329 VanDerWaalsContact C-N 3.28Å; D327-Q329 PolarHBondContact O-N 2.88Å; Q329-W331 PolarHBondContact O-N 3.36Å
330C32.3Very low29.8Very low131 Ų131150 Ų15089%0.88577%0.771SS**PPolyproline II helixtrans-57.7130.1169.8-68.20000111.4S328S328-C330 PolarHBondContact O-N 3.04Å
331W25.9Very low29.6Very low229 Ų229151.7 Ų151.787%0.86777%0.773SS**PPolyproline II helixtrans-79146.6-158.2-85.968.8000115.7Q329Q329-W331 PolarHBondContact O-N 3.36Å
332R27.9Very low29.7Very low229 Ų229150.6 Ų150.686%0.86477%0.768SS**PPolyproline II helixtrans-59.5167.7156.1-55.7172.1177.3-177.9-1.2110
333T29.8Very low29.9Very low99 Ų99149.7 Ų149.761%0.60777%0.771SS**  165.3120.3110.4-72.60000113.5
334M26.8Very low29.8Very low171 Ų171148.3 Ų148.384%0.84277%0.768SS**  trans35138149.9-60.8-172.1-77.500122.7
335T30Very low29.9Very low94 Ų94151.7 Ų151.758%0.57778%0.779SS**  trans-149.3147.3132.2-14.10000110
336S25.6Very low29.9Very low97 Ų97152 Ų15268%0.67878%0.779SS**  trans-1.2146.4159.9-131.60000118.8
337I33.3Very low29.8Very low158 Ų158157.6 Ų157.681%0.8178%0.783SS**  -146149.450.4-74.5175.4000113.5
338Q27.5Very low29.8Very low174 Ų174159.9 Ų159.981%0.81379%0.789SS**  trans-80.8142.3170.7-62.1168.4-25.300113.4
339R33.6Very low29.7Very low238 Ų238160.7 Ų160.790%0.89880%0.795SS**  trans-165.4104.9133.6-100.9162.6-160.3-171.15.5107
340K29.8Very low29.7Very low169 Ų169157.8 Ų157.874%0.73579%0.793SS**  43.5101.289.4-84-154.6167.6-1520113.6
341N33Very low29.8Very low165 Ų165156 Ų15688%0.88278%0.782SS**  -142.4133.3116.6-106.7-7.9000108.8
342D29.9Very low30.2Very low113 Ų113151.7 Ų151.760%0.60478%0.776SS**  trans-86.4137-178.1-51.9-84000109.9
343N30.5Very low30.6Very low157 Ų157147.1 Ų147.184%0.8477%0.774SS**  trans178.479.5144.7-91.9-29.8000113.2
344I29.5Very low30.7Very low149 Ų149148 Ų14876%0.76478%0.782SS**  trans25.3113.8132.3-53.3166.4000117.7
345L29Very low30.8Very low171 Ų171145 Ų14590%0.89578%0.778SS**  trans-129.7144.3136.8-91172.5000108.6
346P30Very low30.9Very low107 Ų107146.2 Ų146.270%0.69579%0.791SS**  trans-102.8160-164.438.6-36.5000115.7
347R30.2Very low31.1Very low254 Ų254145.9 Ų145.996%0.95879%0.794SS**  trans-157.4168.9152.4-111.1169.9-178.2-116.7-3.3110.8
348Q30.6Very low31.2Very low179 Ų179144.1 Ų144.184%0.83679%0.791SS**  trans-125.4148-147.8-65.8172.3-43.300116.9
349S29.6Very low31.2Very low120 Ų120144 Ų14484%0.83979%0.79SS**  49.8173.5126.5-47.50000124.9
350S29.9Very low31.2Very low110 Ų110139.3 Ų139.377%0.76978%0.783SS**  trans-163.5171.5-171.764.80000109.1
351S32.4Very low31.4Very low92 Ų92140.3 Ų140.364%0.64379%0.791SS**  cis-175.2-171.2-1648.30000110
352N35.4Very low31.4Very low140 Ų140140.8 Ų140.875%0.74979%0.789SS**  trans100.9129.1158.7-53.2-2.4000120.9
353T36.4Very low31.9Very low132 Ų132145.1 Ų145.181%0.8181%0.806SS**  trans76.5128.1139.740.80000126.5
354C31.7Very low31.8Very low117 Ų117142.1 Ų142.179%0.79180%0.797SS**  trans97.7111.3138.4-68.70000125.7
355S30Very low31.7Very low108 Ų108139.6 Ų139.676%0.75579%0.793SS**  78119129-570000126.8
356S30.8Very low31.6Very low120 Ų120138.4 Ų138.484%0.83979%0.786SS**  trans86147.7135.769.70000124.2
357A30.9Very low31.4Very low91 Ų91140.3 Ų140.375%0.75279%0.79SS**  trans9491.7163.700000121.8
358T33.7Very low31.6Very low121 Ų121133 Ų13374%0.74278%0.779SS**  trans29.3130.2135.655.10000123.6
359Q29.2Very low31.7Very low170 Ų170130.3 Ų130.379%0.79478%0.776SS**  trans48129.3137.2-69.8-171.7-105.700120.1
360D33.3Very low31.8Very low141 Ų141127.8 Ų127.875%0.75477%0.769SS**  cis-132.1160.519.2-73.6-48.2000113.1
361E34Very low32Very low190 Ų190129 Ų12989%0.88877%0.766SS**  trans-94.697.9-165.5-60.1-175.5141.200114.7
362M32.7Very low31.9Very low174 Ų174132.7 Ų132.786%0.85777%0.77SS**SBendtrans-158.382.4152.6-147.8154.9-71.800113.7S364M362-S364 VanDerWaalsContact C-N 3.27Å; M362-S364 PolarHBondContact O-N 2.88Å
363E39.6Very low31.9Very low205 Ų205131.1 Ų131.196%0.95876%0.762SS**  trans32.544162.3-59.5-164152.900118.3
364S29.8Very low31.6Very low93 Ų93136 Ų13665%0.6577%0.765SS**  trans-87156.1170.186.70000111.3M362M362-S364 VanDerWaalsContact C-N 3.27Å; M362-S364 PolarHBondContact O-N 2.88Å
365S27.7Very low31.7Very low97 Ų97134.1 Ų134.168%0.67877%0.766SS**  trans73.7156.7147.1-54.30000117.4
366I25.5Very low31.9Very low145 Ų145140.8 Ų140.874%0.74477%0.774SS**  cis-150.8117.5-18.3-116.1162.3000104.9
367D27.2Very low31.8Very low147 Ų147140.3 Ų140.379%0.78677%0.77SS**  77.6155.998.6-156.59.1000114.5
368S33.8Very low32.3Very low102 Ų102144.2 Ų144.271%0.71378%0.778SS**  trans-90.1162.1-169.2-57.40000113.2
369P33.1Very low32.3Very low122 Ų122144.5 Ų144.579%0.79278%0.779SS**  -138.8130.7126.734.1-21.5000113.9I371P369-I371 HydrophobicContact CB-CD1 4.35Å
370G29.9Very low32.4Very low66 Ų66144.9 Ų144.968%0.6878%0.781SS**  trans153.441.7177.900000115
371I35.2Very low32.4Very low137 Ų137143.8 Ų143.870%0.70378%0.784SS**  61.911686.6-65.4166.1000111.6P369P369-I371 HydrophobicContact CB-CD1 4.35Å
372F30.2Very low32.2Very low169 Ų169141.1 Ų141.174%0.74178%0.776SS**  cis-163.9174.58.1-132.9-154.4000113.1
373N34.9Very low32.4Very low106 Ų106139 Ų13957%0.56777%0.768SS**  trans8495.7150.6-74.6-35.1000123.2
374R31.5Very low32.4Very low235 Ų235138.7 Ų138.789%0.88777%0.767SS**  70.2111.7117.9-66.4170.5-169.9-142.1-5.7120.1
375G32.9Very low32.7Very low77 Ų77142 Ų14279%0.79478%0.778SS**  trans-134.8-13.2167.600000117.7
376R34.8Very low32.9Very low249 Ų249146.7 Ų146.794%0.9479%0.785SS**  trans65.6145.3179.9-72.7-173.7174.4-120.10.2118.1
377C28Very low33.3Very low110 Ų110146.6 Ų146.674%0.74379%0.785SS**  trans-86.4162.9-178.3-28.30000112.1
378D40.6Very low33.5Very low173 Ų173150 Ų15093%0.92579%0.788SS**  trans-130.9163.9139.7-94.4-48.6000108.7
379V35.6Very low33.6Very low126 Ų126154.1 Ų154.176%0.76480%0.797SS**  trans-116.9154.6-147.11720000114.7
380E29.8Very low33.4Very low178 Ų178157.6 Ų157.683%0.83280%0.799SS**  trans-63149.4177.5-56.5158.1106.700114.5
381S33Very low33.7Very low119 Ų119160.5 Ų160.583%0.83281%0.809SS**  trans160.4155.414742.80000111.2
382N31Very low33.4Very low134 Ų134157.3 Ų157.372%0.71781%0.81SS**  cis-157.9176.3-36.2-163.126.6000108.3
383D35.7Very low33.9Very low128 Ų128156.8 Ų156.868%0.68482%0.815SS**  trans54.6106.6157.1-58.2-47.9000120.1
384Q40Very low33.6Very low199 Ų199162.4 Ų162.493%0.9383%0.834SS**  trans-136.8147.6138.2-76-155.4-6.300112.2
385N37.3Very low33.6Very low164 Ų164156 Ų15688%0.87783%0.826SS**  trans-69147.5-158.1-70.3-37.3000116.7
386K31.9Very low33.6Very low194 Ų194158 Ų15884%0.84382%0.823SS**  trans-80.7158.4146.6-65.9176177.5175.20109.9
387I33.5Very low33.4Very low144 Ų144154.2 Ų154.274%0.73882%0.821SS**  trans155.7148.2144.1-80.9154.4000109.3
388Y31.7Very low33.5Very low218 Ų218153.1 Ų153.186%0.85582%0.82SS**  trans68.3152.6-170.8-58.2-63.5000114.6
389E35.6Very low32.9Very low189 Ų189150.5 Ų150.588%0.88382%0.815SS**  cis-133.8-166.77.3-149.1166.4-159.400113
390K27.6Very low32.6Very low195 Ų195150.3 Ų150.385%0.84882%0.82SS**  trans-143101.3-157.1177.5-164.4172.2-173.60113.6
391S36.5Very low32.8Very low127 Ų127147.5 Ų147.589%0.88882%0.819SS**  trans-166.3150.9158.2460000110
392G29.8Very low32.7Very low69 Ų69144.7 Ų144.771%0.71181%0.81SS**  cis131.949.9-7.300000115.3
393D40.2Very low32.9Very low159 Ų159146.4 Ų146.485%0.8582%0.819SS**  trans-152.2101.3168.3-96.5-41000111.1
394F29.5Very low32.7Very low224 Ų224144.1 Ų144.198%0.98282%0.817SS**  trans-148.6101.5163.6-101.5-78.9000107.5
395S32Very low32.9Very low100 Ų100142.6 Ų142.670%0.69982%0.816SS**  trans-129.7111.8-178.8-161.30000111.9
396T31.1Very low32.8Very low120 Ų120141.8 Ų141.874%0.73681%0.811SS**  trans42.4114.9139.559.70000120.1
397N30.8Very low32.9Very low168 Ų168135.8 Ų135.890%0.89881%0.805SS**  trans-149.1142133.5-96.7-42000109.3
398A30.1Very low32.9Very low88 Ų88136.7 Ų136.773%0.72781%0.81SS**  trans31.1118.4170.100000118.6
399S28.3Very low33Very low118 Ų118129.7 Ų129.783%0.82580%0.803SS**  cis68.4129.931.4-39.50000116.4
400S28.7Very low33.1Very low122 Ų122127.1 Ų127.185%0.85380%0.8SS**  trans84.965.4145.6-164.70000121.7
401S35.4Very low33.5Very low118 Ų118123.6 Ų123.683%0.82579%0.791SS**  trans-168.8131.7133.753.40000107.6
402G30.9Very low33.8Very low61 Ų61125.5 Ų125.563%0.62979%0.791SS**  cis98.4119.925.500000108.4
403D34.8Very low34.4Very low169 Ų169128 Ų12890%0.90479%0.788SS**  cis-145178-3.1-89.2-61.9000110.4
404A32Very low34.6Very low80 Ų80127.6 Ų127.666%0.66179%0.786SS**  trans-92.6107.8178.400000111.9D406A404-D406 PolarHBondContact O-N 3.37Å
405D42.7Very low35.5Very low168 Ų168123.7 Ų123.790%0.89878%0.775SS**  trans-83.964.5163.5-81.1-42.2000110.7G407D405-G407 PolarHBondContact O-N 3Å
406D35.8Very low35.7Very low146 Ų146122.7 Ų122.778%0.78178%0.781SS**  trans-71.771.9160.2-87.1-52.9000108.6A404 I408A404-D406 PolarHBondContact O-N 3.37Å; D406-I408 WeakPolarHBondContact O-CG1 3.19Å; D406-I408 PolarHBondContact O-N 3.43Å
407G34Very low36.6Very low69 Ų69123.1 Ų123.171%0.71178%0.778SS**  trans-8320.9-15700000118.8D405D405-G407 PolarHBondContact O-N 3Å
408I33.9Very low36.8Very low163 Ų163119 Ų11984%0.83676%0.757SS**  trans53.9108.4162.7-50.2-179.8000118.2D406D406-I408 WeakPolarHBondContact O-CG1 3.19Å; D406-I408 PolarHBondContact O-N 3.43Å
409G33Very low37.4Very low70 Ų70122.6 Ų122.672%0.72276%0.763SS**  trans90.6160.6147.200000116.8
410V38.7Very low37.7Very low135 Ų135124.6 Ų124.682%0.81876%0.759SS**  cis-127.8148.64.2-172.40000109.4D412V410-D412 PolarHBondContact O-N 2.66Å
411N35.5Very low38.3Very low122 Ų122122.9 Ų122.965%0.65275%0.753SS**  trans-71.8113.1168.8-62.124.8000109.5D413N411-D413 HydrophobicContact CB-CB 4.45Å; N411-D413 WeakPolarHBondContact CB-OD2 3.05Å; N411-D413 PolarHBondContact ND2-OD2 3.06Å; N411-D413 PolarHBondContact O-N 2.68Å
412D43.1Very low38.2Very low166 Ų166122.8 Ų122.889%0.88875%0.747SS**  trans-89.266.7147.9-74.5-40.5000107.7V410 D414V410-D412 PolarHBondContact O-N 2.66Å; D412-D414 PolarHBondContact O-N 2.91Å
413D41.3Very low38.2Very low121 Ų121127.4 Ų127.465%0.64775%0.752SS**  trans-75.3105.2158.7-75.6-57.3000107.1N411N411-D413 HydrophobicContact CB-CB 4.45Å; N411-D413 WeakPolarHBondContact CB-OD2 3.05Å; N411-D413 PolarHBondContact ND2-OD2 3.06Å; N411-D413 PolarHBondContact O-N 2.68Å
414D45.4Very low38.4Very low151 Ų151128.8 Ų128.881%0.80775%0.753SS**  trans-164.1157.3146.3-112.4-25.2000115D412D412-D414 PolarHBondContact O-N 2.91Å
415D48.1Very low38.4Very low142 Ų142130.5 Ų130.576%0.75976%0.755SS**  trans51.877.8160.5-71.4-24.5000119.2D417D415-D417 PolarHBondContact O-N 3.38Å; D415-D417 VanDerWaalsContact O-N 3.15Å
416G35.3Very low38.5Very low79 Ų79126.8 Ų126.881%0.81474%0.74SS**  trans-71.191.2148.500000112.2N418G416-N418 PolarHBondContact O-N 3.25Å
417D49.8Very low38.9Very low129 Ų129126.2 Ų126.269%0.6974%0.744SS**  trans-68.6108.7155.8-97.3-34.8000107.8D415D415-D417 PolarHBondContact O-N 3.38Å; D415-D417 VanDerWaalsContact O-N 3.15Å
418N36.4Very low39.1Very low82 Ų82127.8 Ų127.844%0.43974%0.737SS.*  cis83.313.649.5-160.612.5000115.1G416 H420G416-N418 PolarHBondContact O-N 3.25Å; N418-H420 PolarHBondContact O-N 2.95Å
419D42.7Very low39.2Very low163 Ų163126 Ų12687%0.87273%0.729SS**  trans-83.954.8155.6-94.2-34.6000112.3A421D419-A421 PolarHBondContact O-N 3.23Å
420H35.1Very low39.6Very low160 Ų160130.6 Ų130.674%0.74173%0.732SS**  trans-81.190.2161.9-87.4-49.4000110.3N418N418-H420 PolarHBondContact O-N 2.95Å
421A40.9Very low39.4Very low86 Ų86131.8 Ų131.871%0.71173%0.733SS**  trans-139.384.9164.800000109.1D419D419-A421 PolarHBondContact O-N 3.23Å
422V32.8Very low39.6Very low117 Ų117133.1 Ų133.171%0.70974%0.739SS**  65.9101.479179.60000112.5
423H31.4Very low39.3Very low157 Ų157134.7 Ų134.773%0.72774%0.741SS**  trans37.2115152.5-67.5-93.3000119.9
424Q37.8Very low39Very low198 Ų198133 Ų13393%0.92574%0.739SS**  trans-154.276.5132.1-113.5142110.200112.5
425T32.4Very low38.5Very low116 Ų116133.1 Ų133.171%0.71274%0.739SS**  trans-82.5166.2150.842.50000109.8
426P45.9Very low38.1Very low90 Ų90133.2 Ų133.258%0.58475%0.745SS**  cis-130150.9-35.834-19.3000112.1N428P426-N428 PolarHBondContact O-OD1 3.19Å
427P43.4Very low37.8Very low134 Ų134140.1 Ų140.187%0.8775%0.747SS**SBendtrans-143.7100.3150.233-14.2000112.4
428N39.2Very low37Very low103 Ų103138.1 Ų138.155%0.55174%0.742SS**  cis-161.4-170.3-8.9-138.226.9000109.8P426P426-N428 PolarHBondContact O-OD1 3.19Å
429D34.1Very low37.3Very low124 Ų124141.4 Ų141.466%0.66376%0.76SS**  trans40.5110144-49.8-27000120.6
430E41.4Very low37.1Very low168 Ų168137 Ų13779%0.78575%0.753SS**  52.5111.6127-52.3-159.7162.400120.9I432E430-I432 PolarHBondContact O-N 3.1Å; E430-I432 VanDerWaalsContact O-N 3.15Å
431D36.4Very low37.2Very low159 Ų159137.2 Ų137.285%0.8576%0.755SS**  51.251.9119.7-59.59.5000118.4
432I38.7Very low37.2Very low150 Ų150140 Ų14077%0.76976%0.758SS**  trans-114.272.5151.4-51.9-174.4000110.3E430 S434E430-I432 PolarHBondContact O-N 3.1Å; E430-I432 VanDerWaalsContact O-N 3.15Å; I432-S434 PolarHBondContact O-N 3.31Å
433E37Very low37.7Very low199 Ų199142.1 Ų142.193%0.9377%0.765SS**  trans-63.8111.2150.2-70.2-169.1134.500109
434S35.9Very low38.5Very low86 Ų86141.5 Ų141.560%0.60177%0.767SS**  trans-144.45416763.20000114.1I432I432-S434 PolarHBondContact O-N 3.31Å
435N34.9Very low38.7Very low154 Ų154140 Ų14082%0.82477%0.765SS**SBendtrans-140.6105.3150.4-86.2-44.4000105.6
436T38.9Very low39.1Very low144 Ų144138.4 Ų138.488%0.88377%0.773SS**SBendcis-143.382.848.945.70000113.6
437R28.3Very low38.6Very low224 Ų224138.2 Ų138.285%0.84579%0.786SS**  trans-80.2156.4143.3-124.7179.9-178.8157.3-2.3106.9
438S34.2Very low38.2Very low86 Ų86135.9 Ų135.960%0.60179%0.787SS**  cis-148.5172.213.5-64.80000110.3
439D42.3Very low38.1Very low151 Ų151134.2 Ų134.281%0.80779%0.794SS**  -179.7149.3106.9-84.7-13.9000111.3
440G37.2Very low38.3Very low71 Ų71135 Ų13573%0.73281%0.807SS**  trans80.883.5-166.400000112.5
441Q37.9Very low38.1Very low164 Ų164130.5 Ų130.577%0.76681%0.807SS**  cis76.499.522.1-161177.511.300114.1
442D41Very low38.1Very low146 Ų146131.8 Ų131.878%0.78181%0.808SS**  trans170.2120.5131.1-86.1-13.8000109.9
443D44Very low38.5Very low160 Ų160131.9 Ų131.986%0.85681%0.81SS**  trans176.2113.5154.1-98.7-12.2000111.1
444D46.8Very low38.9Very low145 Ų145129.4 Ų129.478%0.77580%0.803SS**  trans43110.9150.3-63.4-1000124.6
445D42Very low39.3Very low165 Ų165132.2 Ų132.288%0.88281%0.811SS**  45.5126.5121.9-77.1-15.7000123.7
446G40.6Very low40Very low84 Ų84131.5 Ų131.587%0.86681%0.812SS**  139103.2123.100000120.7
447G36.7Very low40.2Very low85 Ų85128.1 Ų128.188%0.87681%0.805SS**  112.960.5127.200000122.6
448G35Very low41.1Very low85 Ų85122.2 Ų122.288%0.87679%0.794SS**  trans78.7159148.700000118.7
449G36.3Very low41.8Very low68 Ų68122 Ų12270%0.70179%0.786SS**  cis161.9134.4-600000112.9
450C38Very low41.9Very low140 Ų140118.4 Ų118.495%0.94677%0.767SS**  trans68.6143.2-169.895.20000115.7
451G37.8Very low42.2Very low75 Ų75117.6 Ų117.677%0.77375%0.746SS**  cis-170.9134.7-9.600000112.8
452E37.6Very low42.4Very low186 Ų186118.3 Ų118.387%0.86975%0.751SS**  trans-75.8156.7174.2-62.4161104.300112.1
453N45.5Very low42.4Very low151 Ų151116.9 Ų116.981%0.80774%0.744SS**  trans-168.9165.7151.1-90.1-50.3000109.5
454D46.9Very low42.2Very low148 Ų148115.2 Ų115.279%0.79175%0.745SS**  trans58.588.5168.2-51.7-20.2000114.8
455D42.5Very low42Very low144 Ų144115.3 Ų115.377%0.7775%0.745SS**  cis59.197.435.1-162.316.4000114.3
456V49.8Very low41.9Very low140 Ų140116.8 Ų116.885%0.84875%0.746SS**  -172.8104.6122-93.40000113.8
457G44Very low41.9Very low72 Ų72118.4 Ų118.474%0.74274%0.735SS**  trans46.7-170.1140.300000121.5
458V47.8Very low41.9Very low101 Ų101123.8 Ų123.861%0.61273%0.729SS**  cis-148.9177.2-10-169.50000106
459D47.8Very low41.8Very low81 Ų81125.2 Ų125.243%0.43372%0.721SS.*  trans135.798.5133.4-67.9-29000118.2S272 K273S272-D459 WeakPolarHBondContact CA-OD2 3.23Å; S272-D459 WeakPolarHBondContact CB-OD2 3.33Å; S272-D459 PolarHBondContact OG-OD1 3.3Å; S272-D459 PolarHBondContact OG-OD2 3.17Å; K273-D459 WeakPolarHBondContact CA-OD1 3.46Å; K273-D459 PolarHBondContact N-OD1 3.02Å
460D45.6Very low41.8Very low75 Ų75129.5 Ų129.540%0.40173%0.727SS.*  10186.6118.5-52.5-21.7000126.3K273 K274 S275K273-D460 VanDerWaalsContact C-OD1 3.29Å; K273-D460 VanDerWaalsContact CA-CG 3.46Å; K273-D460 WeakPolarHBondContact CA-OD1 2.98Å; K273-D460 WeakPolarHBondContact CA-OD2 3.5Å; K273-D460 PolarHBondContact N-OD2 2.88Å; K274-D460 WeakPolarHBondContact CA-OD1 3.13Å; K274-D460 PolarHBondContact N-OD1 3.25Å; K274-D460 PolarHBondContact N-OD2 3.09Å; S275-D460 PolarHBondContact N-OD1 3.18Å; S275-D460 VanDerWaalsContact N-OD1 3.11Å
461N43.1Very low41.9Very low54 Ų54128.6 Ų128.629%0.28972%0.719SS.*  40.6135.5114.6-163.727.5000123.9K274 S275 H276 D463K274-N461 WeakPolarHBondContact O-CB 3.3Å; K274-N461 PolarHBondContact O-ND2 2.98Å; S275-N461 PolarHBondContact O-ND2 2.77Å; S275-N461 VanDerWaalsContact O-ND2 3.15Å; S275-N461 PolarHBondContact O-OD1 3.39Å; H276-N461 PolarHBondContact O-OD1 3.25Å; N461-D463 PolarHBondContact ND2-OD1 3.33Å; N461-D463 PolarHBondContact OD1-N 3.42Å
462M42.1Very low41.6Very low179 Ų179128.7 Ų128.788%0.88272%0.72SS**  trans-137.3131135.7-88.3-74.9177.200109.6
463D40.3Very low41.4Very low116 Ų116128.6 Ų128.662%0.6272%0.72SS**  trans-72.9155.9-167-44.3-70.1000115.4N461N461-D463 PolarHBondContact ND2-OD1 3.33Å; N461-D463 PolarHBondContact OD1-N 3.42Å
464S40.4Very low41Very low125 Ų125129 Ų12987%0.87472%0.722SS**  -178.8132.9124.3-78.20000113.5
465D41.9Very low40.2Very low147 Ų147129 Ų12979%0.78672%0.722SS**  trans-83.6153.8-171.3-45.4-103.8000116.5
466H41Very low40Very low196 Ų196131.1 Ų131.191%0.90772%0.724SS**  trans-145.775143.5-99.1-29.3000113.8
467D39.1Very low39.2Very low118 Ų118131 Ų13163%0.63172%0.724SS**  trans41.7136133-144.810.6000122
468R37.1Very low38.5Very low198 Ų198131.3 Ų131.375%0.74773%0.727SS**  trans92.9100.3153.1-76.3159.9-151-119-9.5124.1
469T33.8Very low37.6Very low115 Ų115133.5 Ų133.571%0.70674%0.736SS**  69.1109.8128.352.80000119.2
470L35.6Very low36.6Very low159 Ų159138 Ų13883%0.83275%0.753SS**  77.6151.456.8-67.6175.2000114
471P39.8Very low35.8Very low121 Ų121143.7 Ų143.779%0.78678%0.775SS**  -135.3-174.2-50.738.2-20.7000111.3
472G32.1Very low35.2Very low76 Ų76147.2 Ų147.278%0.78479%0.794SS**  trans178.797.8173.300000116.1
473E32.4Very low34.6Very low185 Ų185145.5 Ų145.586%0.86479%0.788SS**  trans-45147.3171.9-57.4157.8131.200115.3
474N37.4Very low34.3Very low158 Ų158148 Ų14885%0.84580%0.802SS**  trans-171.9129.2130.5-106.6-77000111.7
475D30.6Very low34.2Very low150 Ų150149.4 Ų149.480%0.80280%0.799SS**  trans-73.9132.1170.5-62.5-71.1000112.2
476K39Very low33.9Very low187 Ų187147.4 Ų147.481%0.81380%0.797SS**  trans-175.5107.5137-99.1141.4-161.4152.70113.1G478K476-G478 PolarHBondContact O-N 3.27Å
477T33Very low33.6Very low138 Ų138145.3 Ų145.385%0.84779%0.792SS**  trans23.491.2141.7560000116.7
478G28.8Very low33.4Very low79 Ų79146 Ų14681%0.81480%0.797SS**  trans-72.913816300000111.1K476K476-G478 PolarHBondContact O-N 3.27Å
479N28.4Very low33.2Very low147 Ų147141.2 Ų141.279%0.78679%0.793SS**  trans-145.3107.3148.1-153.113.5000109.2
480H27.2Very low33.3Very low174 Ų174145 Ų14581%0.80681%0.805SS**  trans27.2111.9172.6-70.2-83.2000120.6
481F29Very low33.1Very low195 Ų195145.8 Ų145.886%0.85580%0.802SS**  trans-142145.5146.2-108.8-79.5000110.7
482N29.4Very low32.8Very low128 Ų128146 Ų14668%0.68480%0.795SS**  trans50.9111.5163.8-68.5-3000120.6
483N29.8Very low32.9Very low143 Ų143149.7 Ų149.777%0.76579%0.794SS**  29.2130.9102.9-54.55.5000118.4
484N34.7Very low32.9Very low170 Ų170149 Ų14991%0.90979%0.792SS**  trans-131.3141144.9-99.4-50.1000109
485D37.6Very low32.8Very low153 Ų153149.1 Ų149.182%0.81879%0.791SS**  trans-79.4160-176.4-69.4-64.3000113.7
486S35.5Very low33Very low105 Ų105150.9 Ų150.973%0.73480%0.795SS**  trans-63.5142.6169.357.30000113.1
487N36.2Very low32.6Very low152 Ų152152.2 Ų152.281%0.81380%0.795SS**  trans-159.3104147.7-109.3-55.6000115.6
488N34.9Very low32.7Very low134 Ų134150.8 Ų150.872%0.71779%0.79SS**  66.5123.7126-150.59.8000123.3
489S32Very low32.9Very low97 Ų97151.6 Ų151.668%0.67878%0.783SS**  trans51.8108.3149.766.40000120.8
490M36Very low33.1Very low195 Ų195152.8 Ų152.896%0.96178%0.784SS**  trans-92.4155.2152.3-169.3163.8-77.900110.8
491K31.5Very low33.6Very low175 Ų175149.2 Ų149.276%0.76178%0.778SS**  trans-118.3153.2-163.6-104.1175.4174.9172.60113.1
492I34.6Very low33.9Very low126 Ų126150.6 Ų150.665%0.64678%0.779SS**  trans63.398.2146.1-64.1168000114.7
493M32.7Very low34.5Very low152 Ų152149.5 Ų149.575%0.74978%0.777SS**  59.9113.887.5-71.2-166.8-67.700115.9
494M33.1Very low35.4Very low170 Ų170147 Ų14784%0.83776%0.764SS**  154.896.1117.9-82.3-166.4-163.100111.9
495I35.6Very low36Very low161 Ų161145.6 Ų145.683%0.82675%0.752SS**  -152.687.1116.3-52.8-169.6000107.3R497I495-R497 VanDerWaalsContact C-N 3.3Å; I495-R497 HydrophobicContact CG2-CB 4.38Å; I495-R497 PolarHBondContact O-N 3.48Å
496H33.6Very low36.7Very low187 Ų187140.9 Ų140.987%0.86673%0.731SS**  trans-75.787.5166.5-92.6-97.9000109.5S498H496-S498 PolarHBondContact O-N 3.2Å
497R31.7Very low37.5Very low216 Ų216142.6 Ų142.682%0.81573%0.727SS**  trans-75.780169.8-165.4176.2-168.9174.61.8108I495 S499I495-R497 VanDerWaalsContact C-N 3.3Å; I495-R497 HydrophobicContact CG2-CB 4.38Å; I495-R497 PolarHBondContact O-N 3.48Å; R497-S499 PolarHBondContact O-N 3.19Å; R497-S499 VanDerWaalsContact O-N 3.09Å; R497-S499 PolarHBondContact O-OG 3.34Å
498S33.5Very low38.8Very low108 Ų108141.9 Ų141.976%0.75572%0.719SS**  trans-49.2117.1-169.3-1580000111.2H496H496-S498 PolarHBondContact O-N 3.2Å
499S33.3Very low40.2Very low95 Ų95140.6 Ų140.666%0.66471%0.712SS**  trans-134.6118.2-172.7-61.90000106.5R497 S501R497-S499 PolarHBondContact O-N 3.19Å; R497-S499 VanDerWaalsContact O-N 3.09Å; R497-S499 PolarHBondContact O-OG 3.34Å; S499-S501 PolarHBondContact O-N 3.25Å
500H34.3Very low41.9Very low172 Ų172143.4 Ų143.480%0.79671%0.712SS**  trans-69.692.4-157.9-60.9-94000114
501S36.3Very low43.7Very low99 Ų99136.8 Ų136.869%0.69269%0.688SS**  trans-80.9112.6154.955.70000108.6S499 V503S499-S501 PolarHBondContact O-N 3.25Å; S501-V503 PolarHBondContact O-N 3.4Å
502Y36.2Very low45.9Very low224 Ų224132.4 Ų132.488%0.87868%0.676SS**  trans-67.977.8172.4-92.9-102.7000110.5
503V42Very low47.9Very low105 Ų105132.2 Ų132.264%0.63667%0.672SS**  trans-63.3137.9149.1178.90000105.9S501 E505S501-V503 PolarHBondContact O-N 3.4Å; V503-E505 VanDerWaalsContact C-N 3.31Å; V503-E505 PolarHBondContact O-N 3.48Å
504N47.7Very low50Low92 Ų92132.1 Ų132.149%0.49267%0.67SS.*  trans-68.587.3-171.5-17921.5000111S506 Q507N504-S506 PolarHBondContact ND2-OG 2.79Å; N504-S506 VanDerWaalsContact ND2-OG 3.16Å; N504-S506 PolarHBondContact O-N 2.82Å; N504-S506 PolarHBondContact OD1-OG 2.7Å; N504-Q507 PolarHBondContact O-N 2.63Å
505E48.4Very low52.3Low139 Ų139127.2 Ų127.265%0.6565%0.645SS**Hα-helixtrans-57.7-24.4-174.4-162.4169.9-143.600111.9V503 Q507 E508 L509V503-E505 VanDerWaalsContact C-N 3.31Å; V503-E505 PolarHBondContact O-N 3.48Å; E505-Q507 PolarHBondContact O-N 3.38Å; E505-E508 PolarHBondContact O-N 2.82Å; E505-L509 HydrophobicContact CG-CD1 4.08Å; E505-L509 HydrophobicContact CG-CG 4.31Å; E505-L509 WeakPolarHBondContact O-CB 3.43Å; E505-L509 WeakPolarHBondContact O-CG 3.14Å; E505-L509 PolarHBondContact O-N 2.8Å
506S52.1Low54.5Low55 Ų55125.2 Ų125.239%0.38563%0.632SS.*Hα-helixtrans-59-31.9171.171.70000113.6N504 F510N504-S506 PolarHBondContact ND2-OG 2.79Å; N504-S506 VanDerWaalsContact ND2-OG 3.16Å; N504-S506 PolarHBondContact O-N 2.82Å; N504-S506 PolarHBondContact OD1-OG 2.7Å; S506-F510 WeakPolarHBondContact O-CB 3.09Å; S506-F510 WeakPolarHBondContact O-CD2 2.92Å; S506-F510 PolarHBondContact O-N 3.43Å
507Q52.3Low56.7Low141 Ų141118.6 Ų118.666%0.65960%0.601SS**Hα-helixtrans-83-35-175.5-153165.726.100112.3N504 E505 A511N504-Q507 PolarHBondContact O-N 2.63Å; E505-Q507 PolarHBondContact O-N 3.38Å; Q507-A511 PolarHBondContact O-N 3.25Å
508E62.6Low59.1Low137 Ų137113.8 Ų113.864%0.6458%0.583SS**Hα-helixtrans-70.9-36.6164.9-78.9-165131.100111.5E505 F510 A511 V512E505-E508 PolarHBondContact O-N 2.82Å; E508-F510 VanDerWaalsContact C-N 3.34Å; E508-F510 PolarHBondContact O-N 2.97Å; E508-A511 PolarHBondContact O-N 3.22Å; E508-V512 VanDerWaalsContact O-CB 3.22Å; E508-V512 WeakPolarHBondContact O-CB 3.11Å; E508-V512 VanDerWaalsContact O-CG2 3.22Å; E508-V512 WeakPolarHBondContact O-CG2 3.49Å; E508-V512 PolarHBondContact O-N 3.42Å
509L64.3Low61.6Low106 Ų106116.1 Ų116.156%0.55558%0.575SS**Hα-helixtrans-64.3-35.5172.6-75.9168.7000112.1E505 H513E505-L509 HydrophobicContact CG-CD1 4.08Å; E505-L509 HydrophobicContact CG-CG 4.31Å; E505-L509 WeakPolarHBondContact O-CB 3.43Å; E505-L509 WeakPolarHBondContact O-CG 3.14Å; E505-L509 PolarHBondContact O-N 2.8Å; L509-H513 WeakPolarHBondContact O-CA 3.27Å; L509-H513 WeakPolarHBondContact O-CB 3.37Å; L509-H513 PolarHBondContact O-N 3.48Å
510F68.7Low63.7Low157 Ų157115.3 Ų115.369%0.68956%0.558SS**Hα-helixtrans-67.4-45.6171.1-88-62.1000111.6S506 E508 V512 H513 E514S506-F510 WeakPolarHBondContact O-CB 3.09Å; S506-F510 WeakPolarHBondContact O-CD2 2.92Å; S506-F510 PolarHBondContact O-N 3.43Å; E508-F510 VanDerWaalsContact C-N 3.34Å; E508-F510 PolarHBondContact O-N 2.97Å; F510-V512 VanDerWaalsContact C-N 3.34Å; F510-V512 PolarHBondContact O-N 3.42Å; F510-H513 PolarHBondContact O-N 3.18Å; F510-E514 VanDerWaalsContact O-CB 3.23Å; F510-E514 WeakPolarHBondContact O-CB 3.02Å; F510-E514 PolarHBondContact O-N 3.09Å
511A73Confident65.5Low56 Ų56109.3 Ų109.346%0.46353%0.53SS..Hα-helixtrans-64.4-37.1176.600000112.7Q507 E508 E515Q507-A511 PolarHBondContact O-N 3.25Å; E508-A511 PolarHBondContact O-N 3.22Å; A511-E515 VanDerWaalsContact O-CB 3.28Å; A511-E515 WeakPolarHBondContact O-CB 3.03Å; A511-E515 PolarHBondContact O-N 2.93Å
512V77.6Confident67.3Low82 Ų82109.3 Ų109.350%0.49752%0.519SS..Hα-helixtrans-74-36.5175.4170.10000111E508 F510 Q516E508-V512 VanDerWaalsContact O-CB 3.22Å; E508-V512 WeakPolarHBondContact O-CB 3.11Å; E508-V512 VanDerWaalsContact O-CG2 3.22Å; E508-V512 WeakPolarHBondContact O-CG2 3.49Å; E508-V512 PolarHBondContact O-N 3.42Å; F510-V512 VanDerWaalsContact C-N 3.34Å; F510-V512 PolarHBondContact O-N 3.42Å; V512-Q516 WeakPolarHBondContact O-CA 3.11Å; V512-Q516 WeakPolarHBondContact O-CB 3.48Å; V512-Q516 PolarHBondContact O-N 3.32Å
513H76.8Confident68.8Low122 Ų122104 Ų10457%0.56550%0.502SS*.Hα-helixtrans-73.7-30.8174.6-164.7-55000111.5L509 F510 E517L509-H513 WeakPolarHBondContact O-CA 3.27Å; L509-H513 WeakPolarHBondContact O-CB 3.37Å; L509-H513 PolarHBondContact O-N 3.48Å; F510-H513 PolarHBondContact O-N 3.18Å; H513-E517 WeakPolarHBondContact O-CB 3.42Å; H513-E517 PolarHBondContact O-N 3.18Å
514E76.7Confident69.8Low151 Ų151100.3 Ų100.371%0.70648%0.478SS*.Hα-helixtrans-72.9-43.6172.8-169.6170.6-139.100110.9F510 R518F510-E514 VanDerWaalsContact O-CB 3.23Å; F510-E514 WeakPolarHBondContact O-CB 3.02Å; F510-E514 PolarHBondContact O-N 3.09Å; E514-R518 WeakPolarHBondContact O-CB 3.25Å; E514-R518 PolarHBondContact O-N 3.39Å
515E82.5Confident70.3Confident67 Ų6798.4 Ų98.431%0.31347%0.468SS..Hα-helixtrans-70.1-33.6172172.761.9-167.900112.4A511 R518 R519A511-E515 VanDerWaalsContact O-CB 3.28Å; A511-E515 WeakPolarHBondContact O-CB 3.03Å; A511-E515 PolarHBondContact O-N 2.93Å; E515-R518 CarbonylContact O-C 3.01Å; E515-R518 IonicContact OE1-CZ 3.87Å; E515-R518 IonicContact OE1-NH2 3.68Å; E515-R518 PolarHBondContact OE1-NH2 3.45Å; E515-R518 IonicContact OE2-CZ 2.85Å; E515-R518 IonicContact OE2-NE 2.8Å; E515-R518 PolarHBondContact OE2-NE 3.08Å; E515-R518 IonicContact OE2-NH2 3.67Å; E515-R518 PolarHBondContact OE2-NH2 3.07Å; E515-R519 WeakPolarHBondContact O-CB 3.42Å; E515-R519 WeakPolarHBondContact O-CG 3.36Å; E515-R519 PolarHBondContact O-N 2.85Å; E515-R519 WeakPolarHBondContact OE1-CD 3.34Å; E515-R519 IonicContact OE1-CZ 2.71Å; E515-R519 IonicContact OE1-NE 3.32Å; E515-R519 PolarHBondContact OE1-NE 3.5Å; E515-R519 IonicContact OE1-NH2 2.69Å
516Q80.9Confident70.7Confident118 Ų11895.6 Ų95.655%0.55146%0.458SS*.Hα-helixtrans-73-40.9176.3178.8171.7-2700110.8V512 R519 R520V512-Q516 WeakPolarHBondContact O-CA 3.11Å; V512-Q516 WeakPolarHBondContact O-CB 3.48Å; V512-Q516 PolarHBondContact O-N 3.32Å; Q516-R519 CarbonylContact O-C 3.38Å; Q516-R519 PolarHBondContact O-N 3.1Å; Q516-R520 WeakPolarHBondContact O-CB 3.35Å; Q516-R520 PolarHBondContact O-N 3.41Å
517E79.4Confident70.8Confident49 Ų4997.6 Ų97.623%0.22946%0.461CS..Hα-helixtrans-67.9-45171.1-163.268.7173.300109.4H513 R519 R520 Q521H513-E517 WeakPolarHBondContact O-CB 3.42Å; H513-E517 PolarHBondContact O-N 3.18Å; E517-R519 PolarHBondContact O-N 3.25Å; E517-R519 VanDerWaalsContact O-N 3.1Å; E517-R520 CarbonylContact O-C 3.41Å; E517-R520 WeakPolarHBondContact O-CB 3.49Å; E517-R520 PolarHBondContact O-N 3.5Å; E517-R520 IonicContact OE1-CZ 3.77Å; E517-R520 IonicContact OE1-NE 3.94Å; E517-R520 IonicContact OE1-NH2 3.42Å; E517-R520 PolarHBondContact OE1-NH2 2.83Å; E517-R520 IonicContact OE2-CZ 2.9Å; E517-R520 IonicContact OE2-NE 3.53Å; E517-R520 PolarHBondContact OE2-NE 2.99Å; E517-R520 IonicContact OE2-NH2 3.62Å; E517-R520 PolarHBondContact OE2-NH2 3.01Å; E517-Q521 WeakPolarHBondContact O-CA 3.45Å; E517-Q521 WeakPolarHBondContact O-CB 3.34Å; E517-Q521 PolarHBondContact O-N 3.37Å
518R81.8Confident70.4Confident114 Ų11497.6 Ų97.643%0.4346%0.461SS..Hα-helixtrans-57-27.7171.8-162.5-164.669.667.34.2113E514 E515 Q521 Q522E514-R518 WeakPolarHBondContact O-CB 3.25Å; E514-R518 PolarHBondContact O-N 3.39Å; E515-R518 CarbonylContact O-C 3.01Å; E515-R518 IonicContact OE1-CZ 3.87Å; E515-R518 IonicContact OE1-NH2 3.68Å; E515-R518 PolarHBondContact OE1-NH2 3.45Å; E515-R518 IonicContact OE2-CZ 2.85Å; E515-R518 IonicContact OE2-NE 2.8Å; E515-R518 PolarHBondContact OE2-NE 3.08Å; E515-R518 IonicContact OE2-NH2 3.67Å; E515-R518 PolarHBondContact OE2-NH2 3.07Å; R518-Q521 WeakPolarHBondContact O-CB 3.31Å; R518-Q522 WeakPolarHBondContact O-CB 3.28Å; R518-Q522 PolarHBondContact O-N 2.95Å
519R86.1Confident69.2Low157 Ų15795 Ų9559%0.59246%0.457SS*.Hα-helixtrans-80.4-43.1172.4-82.3170.4170.5-111.3-5.8113.2E515 Q516 E517 Q521 Q522 Q523E515-R519 WeakPolarHBondContact O-CB 3.42Å; E515-R519 WeakPolarHBondContact O-CG 3.36Å; E515-R519 PolarHBondContact O-N 2.85Å; E515-R519 WeakPolarHBondContact OE1-CD 3.34Å; E515-R519 IonicContact OE1-CZ 2.71Å; E515-R519 IonicContact OE1-NE 3.32Å; E515-R519 PolarHBondContact OE1-NE 3.5Å; E515-R519 IonicContact OE1-NH2 2.69Å; Q516-R519 CarbonylContact O-C 3.38Å; Q516-R519 PolarHBondContact O-N 3.1Å; E517-R519 PolarHBondContact O-N 3.25Å; E517-R519 VanDerWaalsContact O-N 3.1Å; R519-Q521 VanDerWaalsContact C-N 3.29Å; R519-Q522 PolarHBondContact O-N 2.84Å; R519-Q523 WeakPolarHBondContact O-CA 3.41Å; R519-Q523 WeakPolarHBondContact O-CB 3.39Å; R519-Q523 PolarHBondContact O-N 3.3Å
520R78.3Confident68.1Low79 Ų7994.6 Ų94.630%0.29845%0.452SS..Hα-helixtrans-55-53.2169.7-124.9165.156.670.64.4108.1Q516 E517 Q522 Q523 Q524 V1509 M1510Q516-R520 WeakPolarHBondContact O-CB 3.35Å; Q516-R520 PolarHBondContact O-N 3.41Å; E517-R520 CarbonylContact O-C 3.41Å; E517-R520 WeakPolarHBondContact O-CB 3.49Å; E517-R520 PolarHBondContact O-N 3.5Å; E517-R520 IonicContact OE1-CZ 3.77Å; E517-R520 IonicContact OE1-NE 3.94Å; E517-R520 IonicContact OE1-NH2 3.42Å; E517-R520 PolarHBondContact OE1-NH2 2.83Å; E517-R520 IonicContact OE2-CZ 2.9Å; E517-R520 IonicContact OE2-NE 3.53Å; E517-R520 PolarHBondContact OE2-NE 2.99Å; E517-R520 IonicContact OE2-NH2 3.62Å; E517-R520 PolarHBondContact OE2-NH2 3.01Å; R520-Q522 PolarHBondContact O-N 2.82Å; R520-Q523 WeakPolarHBondContact O-CA 3.34Å; R520-Q523 WeakPolarHBondContact O-CB 3.47Å; R520-Q523 PolarHBondContact O-N 3.26Å; R520-Q524 PolarHBondContact O-N 3.25Å; R520-V1509 HydrophobicContact CB-CG1 4.1Å; R520-V1509 HydrophobicContact CG-CG1 4.03Å; R520-V1509 PolarHBondContact NH1-O 3.24Å; R520-V1509 PolarHBondContact NH2-O 3.49Å; R520-V1509 WeakPolarHBondContact O-CB 3.4Å; R520-V1509 WeakPolarHBondContact O-CG1 3.29Å; R520-V1509 VanDerWaalsContact O-CG2 3.23Å; R520-V1509 WeakPolarHBondContact O-CG2 3.46Å; R520-M1510 PolarHBondContact NH1-O 3.11Å
521Q72Confident66.5Low46 Ų4695.8 Ų95.822%0.21546%0.459CS..Hα-helixtrans-46.1-55.9174.3-170.674.896.400112.7E517 R518 R519 Q523 D525 S1507 N1508 V1509E517-Q521 WeakPolarHBondContact O-CA 3.45Å; E517-Q521 WeakPolarHBondContact O-CB 3.34Å; E517-Q521 PolarHBondContact O-N 3.37Å; R518-Q521 WeakPolarHBondContact O-CB 3.31Å; R519-Q521 VanDerWaalsContact C-N 3.29Å; Q521-Q523 VanDerWaalsContact C-N 3.31Å; Q521-Q523 PolarHBondContact O-N 2.8Å; Q521-D525 WeakPolarHBondContact O-CB 3.32Å; Q521-D525 PolarHBondContact O-N 3.38Å; Q521-S1507 VanDerWaalsContact CD-OG 3.31Å; Q521-S1507 VanDerWaalsContact CG-OG 3.27Å; Q521-S1507 WeakPolarHBondContact CG-OG 3.4Å; Q521-S1507 PolarHBondContact NE2-O 3.4Å; Q521-S1507 PolarHBondContact NE2-OG 3.49Å; Q521-S1507 PolarHBondContact OE1-O 2.98Å; Q521-N1508 PolarHBondContact NE2-O 2.79Å; Q521-V1509 WeakPolarHBondContact O-CG2 3.32Å
522Q73.2Confident64.6Low99 Ų99100.8 Ų100.846%0.46347%0.473SS..Hα-helixtrans-70.2-26.5177-173.5153.755.100112.8R518 R519 R520 N526R518-Q522 WeakPolarHBondContact O-CB 3.28Å; R518-Q522 PolarHBondContact O-N 2.95Å; R519-Q522 PolarHBondContact O-N 2.84Å; R520-Q522 PolarHBondContact O-N 2.82Å; Q522-N526 WeakPolarHBondContact O-CB 3.07Å; Q522-N526 VanDerWaalsContact O-CG 3.24Å; Q522-N526 PolarHBondContact O-N 3.4Å; Q522-N526 PolarHBondContact O-ND2 3.12Å
523Q69.3Low62.5Low111 Ų111103.9 Ų103.952%0.51948%0.481SS..Hα-helixtrans-72.8-41.1-179.8177.5171.4-17.300112.7R519 R520 Q521 N526 E527R519-Q523 WeakPolarHBondContact O-CA 3.41Å; R519-Q523 WeakPolarHBondContact O-CB 3.39Å; R519-Q523 PolarHBondContact O-N 3.3Å; R520-Q523 WeakPolarHBondContact O-CA 3.34Å; R520-Q523 WeakPolarHBondContact O-CB 3.47Å; R520-Q523 PolarHBondContact O-N 3.26Å; Q521-Q523 VanDerWaalsContact C-N 3.31Å; Q521-Q523 PolarHBondContact O-N 2.8Å; Q523-N526 CarbonylContact O-C 3.38Å; Q523-N526 WeakPolarHBondContact O-CA 3.44Å; Q523-N526 VanDerWaalsContact O-CB 3.29Å; Q523-N526 WeakPolarHBondContact O-CB 3.49Å; Q523-N526 PolarHBondContact O-N 3.23Å; Q523-E527 WeakPolarHBondContact CG-OE1 3.31Å; Q523-E527 PolarHBondContact NE2-OE1 3.04Å; Q523-E527 WeakPolarHBondContact O-CG 3.24Å; Q523-E527 PolarHBondContact O-N 3.35Å
524Q61.7Low60.4Low29 Ų29102.2 Ų102.214%0.13648%0.484CS..Hα-helixtrans-96-7.6171.7160.4-154.4122.400114.8R520 E527 H528 V1509 M1510R520-Q524 PolarHBondContact O-N 3.25Å; Q524-E527 HydrophobicContact CB-CB 3.91Å; Q524-E527 HydrophobicContact CB-CG 4.49Å; Q524-E527 HydrophobicContact CG-CB 4.3Å; Q524-E527 PolarHBondContact O-N 3.02Å; Q524-H528 VanDerWaalsContact O-CB 3.27Å; Q524-H528 WeakPolarHBondContact O-CB 3.48Å; Q524-H528 PolarHBondContact O-N 3.05Å; Q524-V1509 VanDerWaalsContact CA-CG2 3.44Å; Q524-V1509 HydrophobicContact CB-CB 3.9Å; Q524-V1509 HydrophobicContact CB-CG1 3.61Å; Q524-V1509 HydrophobicContact CB-CG2 3.24Å; Q524-V1509 HydrophobicContact CG-CB 4.35Å; Q524-V1509 HydrophobicContact CG-CG1 4.32Å; Q524-V1509 HydrophobicContact CG-CG2 3.69Å; Q524-V1509 VanDerWaalsContact OE1-CA 3.27Å; Q524-M1510 VanDerWaalsContact OE1-CE 3.23Å
525D57.8Low58.2Low51 Ų51101.9 Ų101.927%0.27349%0.487SS..Hα-helixtrans-56.3-45.1146.8-79-25000109.9Q521 C529 S1507 N1508Q521-D525 WeakPolarHBondContact O-CB 3.32Å; Q521-D525 PolarHBondContact O-N 3.38Å; D525-C529 WeakPolarHBondContact O-CB 3.41Å; D525-C529 PolarHBondContact O-N 2.82Å; D525-C529 PolarHBondContact O-SG 3.43Å; D525-S1507 WeakPolarHBondContact OD1-CB 3.49Å; D525-S1507 WeakPolarHBondContact OD2-CB 3.35Å; D525-S1507 PolarHBondContact OD2-OG 3.14Å; D525-N1508 PolarHBondContact OD1-ND2 2.84Å
526N57.5Low56Low81 Ų81107.3 Ų107.343%0.43351%0.512SS..Hα-helixtrans-69.1-39173.4-74.6-23.6000113.4Q522 Q523 C529 H530Q522-N526 WeakPolarHBondContact O-CB 3.07Å; Q522-N526 VanDerWaalsContact O-CG 3.24Å; Q522-N526 PolarHBondContact O-N 3.4Å; Q522-N526 PolarHBondContact O-ND2 3.12Å; Q523-N526 CarbonylContact O-C 3.38Å; Q523-N526 WeakPolarHBondContact O-CA 3.44Å; Q523-N526 VanDerWaalsContact O-CB 3.29Å; Q523-N526 WeakPolarHBondContact O-CB 3.49Å; Q523-N526 PolarHBondContact O-N 3.23Å; N526-C529 CarbonylContact O-C 3.58Å; N526-C529 WeakPolarHBondContact O-CA 3.43Å; N526-C529 WeakPolarHBondContact O-CB 3.34Å; N526-C529 PolarHBondContact O-N 3.4Å; N526-C529 VanDerWaalsContact O-N 3.07Å; N526-H530 WeakPolarHBondContact O-CB 3.18Å; N526-H530 PolarHBondContact O-N 3.05Å; N526-H530 PolarHBondContact O-ND1 3.3Å
527E55.1Low53.8Low96 Ų96108.4 Ų108.445%0.44952%0.522SS..Hα-helixtrans-70.1-35.6177.4-68.7165.6-168.900112.3Q523 Q524 C529 H530 H531Q523-E527 WeakPolarHBondContact CG-OE1 3.31Å; Q523-E527 PolarHBondContact NE2-OE1 3.04Å; Q523-E527 WeakPolarHBondContact O-CG 3.24Å; Q523-E527 PolarHBondContact O-N 3.35Å; Q524-E527 HydrophobicContact CB-CB 3.91Å; Q524-E527 HydrophobicContact CB-CG 4.49Å; Q524-E527 HydrophobicContact CG-CB 4.3Å; Q524-E527 PolarHBondContact O-N 3.02Å; E527-C529 PolarHBondContact O-N 2.9Å; E527-H530 PolarHBondContact O-N 3.2Å; E527-H531 PolarHBondContact O-N 3.19Å
528H43.5Very low51.5Low142 Ų142115.3 Ų115.366%0.65755%0.551SS**Hα-helixtrans-66.2-26.9168.1-134.183.9000111.6Q524Q524-H528 VanDerWaalsContact O-CB 3.27Å; Q524-H528 WeakPolarHBondContact O-CB 3.48Å; Q524-H528 PolarHBondContact O-N 3.05Å
529C38Very low49Very low83 Ų83118.1 Ų118.156%0.56157%0.569SS**Hα-helixtrans-83.6-10.6167.9-64.70000114.7D525 N526 E527 H532D525-C529 WeakPolarHBondContact O-CB 3.41Å; D525-C529 PolarHBondContact O-N 2.82Å; D525-C529 PolarHBondContact O-SG 3.43Å; N526-C529 CarbonylContact O-C 3.58Å; N526-C529 WeakPolarHBondContact O-CA 3.43Å; N526-C529 WeakPolarHBondContact O-CB 3.34Å; N526-C529 PolarHBondContact O-N 3.4Å; N526-C529 VanDerWaalsContact O-N 3.07Å; E527-C529 PolarHBondContact O-N 2.9Å; C529-H532 PolarHBondContact O-N 2.75Å
530H39.6Very low46.4Very low97 Ų97117.1 Ų117.145%0.44957%0.574SS.*Hα-helixtrans-97.6-4.7-177-73.3-11.5000114.3N526 E527 H532 Q533N526-H530 WeakPolarHBondContact O-CB 3.18Å; N526-H530 PolarHBondContact O-N 3.05Å; N526-H530 PolarHBondContact O-ND1 3.3Å; E527-H530 PolarHBondContact O-N 3.2Å; H530-H532 PolarHBondContact O-N 3.1Å; H530-Q533 PolarHBondContact O-N 2.95Å
531H35.5Very low44.4Very low181 Ų181118.3 Ų118.384%0.83859%0.592SS**THydrogen-bonded Turntrans-76.814.8151.5-92.7-17.5000114.6E527E527-H531 PolarHBondContact O-N 3.19Å
532H34Very low42.4Very low162 Ų162123.9 Ų123.975%0.7562%0.616SS**THydrogen-bonded Turntrans-125.237.8156.7-95.3-74.7000114.8C529 H530 S534C529-H532 PolarHBondContact O-N 2.75Å; H530-H532 PolarHBondContact O-N 3.1Å; H532-S534 PolarHBondContact O-N 3.31Å
533Q33Very low40.2Very low146 Ų146126.7 Ų126.768%0.68263%0.634SS**  trans-74.774.3153.1-79.1-160.12.400111.4H530 N535H530-Q533 PolarHBondContact O-N 2.95Å; Q533-N535 PolarHBondContact O-N 2.92Å
534S31.9Very low38.3Very low88 Ų88129.4 Ų129.462%0.61564%0.641SS**  trans-72.7116.5155.647.40000109.2H532 E536H532-S534 PolarHBondContact O-N 3.31Å; S534-E536 VanDerWaalsContact C-N 3.34Å; S534-E536 PolarHBondContact O-N 3.12Å
535N31.6Very low36.8Very low144 Ų144134.5 Ų134.577%0.7767%0.674SS**  trans-64.489.2170.1-88.3-32.6000110.9Q533Q533-N535 PolarHBondContact O-N 2.92Å
536E35.8Very low35.4Very low180 Ų180138.6 Ų138.684%0.84170%0.696SS**  trans-87.8114.8151.2-75-89.2106.200106.6S534S534-E536 VanDerWaalsContact C-N 3.34Å; S534-E536 PolarHBondContact O-N 3.12Å
537N34Very low34.2Very low142 Ų142139.3 Ų139.376%0.75971%0.708SS**  trans-67.6147.4-170.1-83.1-58.9000112.5H539N537-H539 PolarHBondContact O-N 3.33Å
538K30.8Very low33Very low193 Ų193138.5 Ų138.584%0.83973%0.725SS**  trans-58.995.2164.5-66.5177.5-178.51770110.1L540K538-L540 HydrophobicContact CB-CD1 4.41Å
539H30.6Very low32.3Very low174 Ų174139.7 Ų139.781%0.80673%0.731SS**  trans-96.5100.6156.6-133.7-68000108.6N537N537-H539 PolarHBondContact O-N 3.33Å
540L30.1Very low32Very low135 Ų135145.4 Ų145.471%0.70775%0.746SS**  trans-65159.7173.3-106.180.1000110.7K538K538-L540 HydrophobicContact CB-CD1 4.41Å
541P36.3Very low31.4Very low104 Ų104147.5 Ų147.568%0.67576%0.759SS**  trans-82.4151.1-140.730.9-38.1000114
542F30.8Very low31.1Very low163 Ų163145.1 Ų145.172%0.71576%0.757SS**  trans-124.7101.8159.6-96.6-77.3000110.8Y544F542-Y544 HydrophobicContact CB-CD2 4.22Å; F542-Y544 AromaticContact CD1-CD2 3.63Å; F542-Y544 HydrophobicContact CD1-CD2 3.63Å; F542-Y544 AromaticContact CD1-CE2 3.46Å; F542-Y544 HydrophobicContact CD1-CE2 3.46Å; F542-Y544 VanDerWaalsContact CD1-CE2 3.46Å; F542-Y544 HydrophobicContact CE1-CD2 4.43Å; F542-Y544 AromaticContact CE1-CE2 3.82Å; F542-Y544 HydrophobicContact CE1-CE2 3.82Å; F542-Y544 HydrophobicContact CG-CD2 4.25Å; F542-Y544 HydrophobicContact CG-CE2 4.39Å; F542-Y544 PolarHBondContact O-N 2.98Å
543N28.2Very low30.9Very low159 Ų159142.6 Ų142.685%0.8576%0.756SS**  trans-6796.4157.2-79.2-29000108.1
544Y28.7Very low30.8Very low168 Ų168144.9 Ų144.966%0.65977%0.766SS**  trans-109.585.2163.5-99.8-70.8000110.3F542 N546F542-Y544 HydrophobicContact CB-CD2 4.22Å; F542-Y544 AromaticContact CD1-CD2 3.63Å; F542-Y544 HydrophobicContact CD1-CD2 3.63Å; F542-Y544 AromaticContact CD1-CE2 3.46Å; F542-Y544 HydrophobicContact CD1-CE2 3.46Å; F542-Y544 VanDerWaalsContact CD1-CE2 3.46Å; F542-Y544 HydrophobicContact CE1-CD2 4.43Å; F542-Y544 AromaticContact CE1-CE2 3.82Å; F542-Y544 HydrophobicContact CE1-CE2 3.82Å; F542-Y544 HydrophobicContact CG-CD2 4.25Å; F542-Y544 HydrophobicContact CG-CE2 4.39Å; F542-Y544 PolarHBondContact O-N 2.98Å; Y544-N546 PolarHBondContact O-N 3.01Å
545T29.4Very low30.6Very low135 Ų135148.2 Ų148.283%0.82878%0.776SS**  trans-65.667.1156.732.50000109.9S547T545-S547 PolarHBondContact O-N 3.23Å
546N29.9Very low30.6Very low138 Ų138147.9 Ų147.974%0.73878%0.779SS**  trans-72.594173.3-103.4-26.7000109.2Y544 G548Y544-N546 PolarHBondContact O-N 3.01Å; N546-G548 PolarHBondContact O-N 3.37Å
547S31.8Very low30.2Very low96 Ų96146.1 Ų146.167%0.67178%0.775SS**  trans-63.9112172.843.40000109.9T545 Q549T545-S547 PolarHBondContact O-N 3.23Å; S547-Q549 VanDerWaalsContact C-N 3.26Å; S547-Q549 PolarHBondContact O-N 3.39Å
548G28.7Very low30.2Very low79 Ų79144.4 Ų144.481%0.81477%0.771SS**  trans-67.879.8175.200000111.8N546 K550N546-G548 PolarHBondContact O-N 3.37Å; G548-K550 PolarHBondContact O-N 3.04Å
549Q30.6Very low30.1Very low166 Ų166143.7 Ų143.778%0.77677%0.771SS**  trans-60.5102173.6-71.4-176-16.700110.3S547 I551S547-Q549 VanDerWaalsContact C-N 3.26Å; S547-Q549 PolarHBondContact O-N 3.39Å; Q549-I551 PolarHBondContact O-N 3.08Å
550K30.2Very low29.8Very low203 Ų203140.1 Ų140.188%0.88377%0.765SS**  trans-88.393.6168.3-152.6170.4-171.5177.80109.5G548 T552G548-K550 PolarHBondContact O-N 3.04Å; K550-T552 PolarHBondContact O-N 3.11Å
551I27.3Very low29.8Very low141 Ų141138.7 Ų138.772%0.72377%0.766SS**  trans-52.4127.6-176-61.6156.2000111.1Q549Q549-I551 PolarHBondContact O-N 3.08Å
552T29.8Very low29.3Very low131 Ų131142.9 Ų142.980%0.80478%0.777SS**  trans-132.1116.4156.1-45.60000107.1K550K550-T552 PolarHBondContact O-N 3.11Å
553P29.2Very low29.4Very low110 Ų110144.5 Ų144.571%0.71479%0.787SS**  trans-82.9131.3-17031.3-33.5000112.1
554Q31Very low29.7Very low194 Ų194142.5 Ų142.591%0.90778%0.783SS**  trans-116.1143.8148.7-77.3-151.53.800109.8
555L27.3Very low29.6Very low158 Ų158140.9 Ų140.983%0.82779%0.794SS**  trans-118.4101.7-165179.781.5000109.1
556V33.2Very low29.7Very low136 Ų136137.7 Ų137.782%0.82479%0.789SS**  trans-134.2135.3167.8-1740000108.4
557L26.2Very low29.7Very low143 Ų143141 Ų14175%0.74980%0.797SS**  trans-108.3170.8-172-84.7163.4000111
558P34.3Very low29.8Very low106 Ų106144.8 Ų144.869%0.68880%0.804SS**  trans-101151.6-14537.8-37.1000116.5
559H29.2Very low30Very low178 Ų178149.2 Ų149.282%0.82480%0.803SS**  trans-143.9136.6160.1-73.4-68.8000107.9
560S23.8Very low30.2Very low99 Ų99148.3 Ų148.369%0.69280%0.804SS**  cis109.978.617.975.90000114.1
561S29.9Very low30.2Very low105 Ų105143.8 Ų143.873%0.73480%0.797SS**  trans-171.7118.5159.749.70000107.7
562Q26.7Very low30.5Very low192 Ų192142.2 Ų142.290%0.89780%0.795SS**  70.292.768.3-70.1-178.9-43.400114.3
563E32.5Very low30.6Very low197 Ų197143.7 Ų143.792%0.92180%0.799SS**  trans-149.6145.4136.5-124.2173.317900109
564P33.4Very low30.8Very low118 Ų118148.2 Ų148.277%0.76680%0.803SS**  trans-107.4152.6-162.638.6-31.8000114.9
565C28.4Very low30.9Very low133 Ų133142.9 Ų142.990%0.89979%0.787SS**PPolyproline II helixtrans-76.7144.5162-58.80000110.7
566G31.2Very low30.9Very low69 Ų69143.5 Ų143.571%0.71179%0.791SS**PPolyproline II helixtrans-88.1163.617000000113.1
567F28.8Very low31.1Very low206 Ų206145.2 Ų145.290%0.90479%0.79SS**PPolyproline II helixtrans-49.7157.1162.9-61-99.2000110.5
568E34Very low31.1Very low176 Ų176146.7 Ų146.782%0.82280%0.795SS**  cis-139.6179.943.8-75.1158.3142.100115.6
569E32.9Very low30.9Very low172 Ų172149.3 Ų149.380%0.80480%0.802SS**  trans-43.3160.9178.8-68.9146.3145.400116.2
570D35.4Very low30.7Very low148 Ų148148.5 Ų148.579%0.79180%0.798SS**  cis-142.6179.925.1-150.8-15.5000114.2
571C30.1Very low31.1Very low108 Ų108152.8 Ų152.873%0.7381%0.808SS**PPolyproline II helixtrans-85.4158.2-152.8-67.60000117
572P33.3Very low31Very low107 Ų107154.9 Ų154.970%0.69581%0.809SS**PPolyproline II helixtrans-87.3152.9-177.335.5-36.5000114
573D32.3Very low31Very low163 Ų163149.3 Ų149.387%0.87280%0.803SS**PPolyproline II helixtrans-85.9160.4162.5-150.6-15.4000111.5
574Y33Very low30.7Very low205 Ų205147.4 Ų147.480%0.80480%0.799SS**PPolyproline II helixtrans-102.1144.2-144.4-110.5-109.8000116.7
575S32.7Very low30.7Very low82 Ų82149.7 Ų149.757%0.57380%0.803SS**  trans70.1117.4141.3-154.40000120.1Q577S575-Q577 PolarHBondContact O-N 2.83Å
576N28.7Very low30.6Very low170 Ų170150.2 Ų150.291%0.90980%0.797SS**  trans-72.1112.4151.8-76.2-83.1000109.8
577Q35.7Very low30.7Very low173 Ų173152.6 Ų152.681%0.80880%0.803SS**  trans-126124.8154.4-73-164.11200111S575S575-Q577 PolarHBondContact O-N 2.83Å
578M26.4Very low30.7Very low174 Ų174150.3 Ų150.386%0.85780%0.795SS**  trans-75.4140.5161.3-64.3176.7-79.600109
579I29.8Very low30.8Very low160 Ų160149 Ų14982%0.82179%0.794SS**  trans170.395.2131.7-84.9152.6000110.6
580Q25.7Very low30.9Very low161 Ų161146.4 Ų146.475%0.75278%0.784SS**  43.888.9123.3-161.9171.420.500121.5
581E32.8Very low30.9Very low190 Ų190148 Ų14889%0.88879%0.791SS**  trans-129.9140.6136.4-67.1-169.6138.800105.8
582I27.6Very low30.9Very low148 Ų148150.3 Ų150.376%0.75979%0.791SS**  cis70.48930.6-48.8-179000113.3
583G25.9Very low30.6Very low76 Ų76150.2 Ų150.278%0.78479%0.793SS**  trans166.5115168.800000113.4
584D26.8Very low30.7Very low156 Ų156147.9 Ų147.983%0.83479%0.787SS**  trans-55.7156.7179.3-49.8-70000115.2
585I32.5Very low31Very low167 Ų167143.7 Ų143.786%0.85678%0.784SS**  -166.5144.3123.5-98.8151.8000110.8
586N27.1Very low31.3Very low143 Ų143145.4 Ų145.477%0.76579%0.793SS**  trans-89.7144.5172.2-79.2-81.8000111.3
587S32.5Very low32.1Very low119 Ų119142.7 Ų142.783%0.83279%0.785SS**  trans-142.4144.6143.958.70000110.2
588Q30.3Very low32.4Very low158 Ų158140 Ų14074%0.73878%0.783SS**  trans-126.7135.8-178.3-67.6178-2100109.1
589N36.1Very low33.1Very low150 Ų150137.5 Ų137.580%0.80278%0.779SS**  trans-154.9100.6152.9-95.6-41.2000106.6
590I33.5Very low33.9Very low116 Ų116135.4 Ų135.460%0.59578%0.776SS**  70.287.371.1-57.5169000111.7Q592I590-Q592 HydrophobicContact CG2-CB 4.43Å
591I37Very low34.8Very low181 Ų181133.3 Ų133.393%0.92878%0.776SS**  trans-121136.8130.1-62.4-178.5000105.2
592Q29.6Very low35.2Very low158 Ų158129.7 Ų129.774%0.73877%0.77SS**  trans-141.8146.3-160.2-166.2-175.634.500113.1I590I590-Q592 HydrophobicContact CG2-CB 4.43Å
593S27.4Very low35.8Very low105 Ų105128.6 Ų128.673%0.73477%0.772SS**  trans68.9166.2164.980.40000117.2
594P33.1Very low36.1Very low114 Ų114135.9 Ų135.974%0.7478%0.778SS**  cis-112165.2-15.841.9-31.1000110.9
595P39.3Very low36.4Very low116 Ų116138 Ų13875%0.75378%0.779SS**  -134.4166.856.629.5-7.7000115.6
596P40.1Very low36.7Very low118 Ų118137 Ų13777%0.76677%0.774SS**PPolyproline II helixtrans-85.8128.2-173.832.4-33.9000113.9
597P44.9Very low36.9Very low113 Ų113135.3 Ų135.373%0.73477%0.771SS**PPolyproline II helixtrans-66.5152.6160.9-18.733.2000111.5
598P42.1Very low37Very low117 Ų117136.7 Ų136.776%0.7677%0.769SS**PPolyproline II helixtrans-68.1154.2-174.327.3-35.2000113.5
599P40.7Very low37.1Very low121 Ų121137.8 Ų137.879%0.78677%0.774SS**PPolyproline II helixtrans-68.4130.9-174.927.2-34.8000112.4
600P46.1Very low37Very low116 Ų116138.6 Ų138.675%0.75378%0.777SS**PPolyproline II helixtrans-68148.7171.128.6-33.7000111.2
601P46Very low37.1Very low117 Ų117141 Ų14176%0.7679%0.786SS**PPolyproline II helixtrans-66.1154.8-173.126-34.7000113.5
602P40.5Very low36.9Very low115 Ų115138.2 Ų138.275%0.74778%0.78SS**PPolyproline II helixtrans-66.1148.2-169.525.4-35000113.7
603P40.1Very low37.1Very low124 Ų124135.5 Ų135.581%0.80577%0.774SS**PPolyproline II helixtrans-60.9147.7-179.9-2434.3000114.1K605P603-K605 PolarHBondContact O-N 3.46Å
604Y32.5Very low37.3Very low230 Ų230137.2 Ų137.290%0.90278%0.775SS**PPolyproline II helixtrans-60.7133.5173.4-89.5-106.9000111.6I606Y604-I606 PolarHBondContact O-N 3.14Å
605K33.8Very low37.4Very low199 Ų199139.6 Ų139.687%0.86578%0.781SS**PPolyproline II helixtrans-68.7123.9171.8-64.4179.4-179.9178.80109.9P603P603-K605 PolarHBondContact O-N 3.46Å
606I37.4Very low36.9Very low148 Ų148139 Ų13976%0.75978%0.78SS**PPolyproline II helixtrans-82.2124.5159.2-63.6177.7000107.2Y604 D608Y604-I606 PolarHBondContact O-N 3.14Å; I606-D608 PolarHBondContact O-N 3.49Å
607P31.4Very low36.5Very low106 Ų106138.2 Ų138.269%0.68878%0.777SS**  trans-91.486.3-174.334.8-33.8000112.1
608D35.5Very low35.9Very low148 Ų148142.8 Ų142.879%0.79179%0.786SS**  trans-85.4118.1168.4-88.2-50.9000111.7I606 L610I606-D608 PolarHBondContact O-N 3.49Å; D608-L610 PolarHBondContact O-N 2.93Å; D608-L610 VanDerWaalsContact O-N 3.1Å
609H32.2Very low35.4Very low182 Ų182146.9 Ų146.984%0.84379%0.792SS**  trans-80.281.6178-75.1-95.6000111.7
610L34.2Very low34.8Very low166 Ų166149 Ų14987%0.86979%0.794SS**  trans-127109.9160.4-75178.7000111.2D608D608-L610 PolarHBondContact O-N 2.93Å; D608-L610 VanDerWaalsContact O-N 3.1Å
611Q34.8Very low34Very low166 Ų166150 Ų15078%0.77679%0.793SS**  trans-84.3119.9-176.7172.6-176-25.300110.4T613Q611-T613 WeakPolarHBondContact CG-OG1 3.43Å; Q611-T613 PolarHBondContact NE2-OG1 3.02Å
612P32.5Very low33.1Very low124 Ų124151.6 Ų151.681%0.80580%0.795SS**  trans-71.6132.9161.930.8-31.5000109
613T34.3Very low32.9Very low100 Ų100150.1 Ų150.161%0.61379%0.785SS**  trans-140.9134.6168.5-56.80000107Q611 D615Q611-T613 WeakPolarHBondContact CG-OG1 3.43Å; Q611-T613 PolarHBondContact NE2-OG1 3.02Å; T613-D615 PolarHBondContact O-N 3.47Å
614D32.3Very low32.2Very low142 Ų142155.6 Ų155.676%0.75979%0.79SS**  trans-72.5118.9-158.9-54.7-90.1000114.2S616D614-S616 VanDerWaalsContact C-N 3.35Å; D614-S616 PolarHBondContact O-N 3.47Å; D614-S616 PolarHBondContact O-OG 3.38Å
615D34.1Very low32.1Very low163 Ų163151.2 Ų151.287%0.87279%0.787SS**  trans-65.490.5167.7-93.4-39.8000110.5T613T613-D615 PolarHBondContact O-N 3.47Å
616S29.4Very low31.9Very low104 Ų104146.6 Ų146.673%0.72778%0.777SS**  trans-12753.5-171.851.40000113.4D614D614-S616 VanDerWaalsContact C-N 3.35Å; D614-S616 PolarHBondContact O-N 3.47Å; D614-S616 PolarHBondContact O-OG 3.38Å
617S31.8Very low31.4Very low101 Ų101144.4 Ų144.471%0.70678%0.775SS**  trans-161.767.9163.157.60000113.6F619S617-F619 PolarHBondContact O-N 2.98Å
618F31.5Very low31.1Very low210 Ų210145.6 Ų145.692%0.92178%0.776SS**  trans-67.2126.7166.9-95.1-88.8000110.7
619F31.5Very low30.6Very low202 Ų202147.5 Ų147.589%0.88677%0.773SS**  trans-67.1146.8-174.2-90.4-115.4000113.1S617S617-F619 PolarHBondContact O-N 2.98Å
620M29.4Very low30.4Very low166 Ų166146.8 Ų146.882%0.81877%0.77SS**  trans-117132.9157.6-130.2-171.8-173.100109.3
621N28.9Very low30Very low138 Ų138145.8 Ų145.874%0.73877%0.765SS**  trans17.7130.5155.8-52.8-33.7000119.1
622N27.6Very low29.7Very low149 Ų149148.3 Ų148.380%0.79777%0.769SS**  -168.7-164.183-147.613.6000110.6
623P35.4Very low29.9Very low84 Ų84147.3 Ų147.355%0.54576%0.762SS.*  -118.4152.4-110.136.1-19.9000117.4
624W26.5Very low29.5Very low239 Ų239153.4 Ų153.491%0.90578%0.775SS**  trans52.2122.3138.7-65.349.4000120.4
625V29.7Very low29.3Very low138 Ų138151.8 Ų151.884%0.83678%0.775SS**  -175.3141.4111.5144.50000109.4
626P29.2Very low29Very low102 Ų102152.9 Ų152.966%0.66278%0.775SS**  trans-104.6150.4-172.138.6-34.2000115.7
627S26.5Very low28.8Very low103 Ų103155.6 Ų155.672%0.7278%0.781SS**  trans65.8153.3144.1-58.60000122.6
628N26.6Very low28.8Very low130 Ų130156.5 Ų156.570%0.69578%0.784SS**  trans87140.2145.7-76.8-15.4000122.4
629Y25.3Very low28.5Very low188 Ų188154.7 Ų154.774%0.73778%0.778SS**  trans57.696162.3-56.9-61.7000121.5
630H26.6Very low28.3Very low168 Ų168153.2 Ų153.278%0.77877%0.774SS**  51.9156.3106.1-77.1-94.9000122.4
631L26.9Very low28.7Very low145 Ų145150.6 Ų150.676%0.75977%0.769SS**  trans94.5120.3164.5-84.370000120.7
632Y27.5Very low29.2Very low219 Ų219148.3 Ų148.386%0.85976%0.762SS**  trans78.5156142.7-81.3-110.1000121.6
633P37.5Very low29.5Very low103 Ų103148.9 Ų148.967%0.66976%0.759SS**  trans-121.7148-144.241.4-31.1000117.2
634Y26.4Very low29Very low228 Ų228151.6 Ų151.689%0.89477%0.768SS**  trans-172.3110.6143.2-114.1-83.8000104.6
635S27Very low29.4Very low108 Ų108147.6 Ų147.676%0.75576%0.764SS**  cis-157.4144.748.9-520000110.6
636Q27.7Very low29.2Very low185 Ų185147.6 Ų147.686%0.86476%0.755SS**  trans-126.5101.7171.6-74.9-171.6-4.900112.2
637L26.3Very low29.3Very low162 Ų162149.1 Ų149.185%0.84876%0.757SS**  trans-130.5151.4148.7-85.5170000106
638P30.7Very low29.3Very low120 Ų120150.9 Ų150.978%0.77975%0.754SS**  cis-114.3139.115.836.7-25.3000114.3
639H25.9Very low29.4Very low172 Ų172153.6 Ų153.680%0.79676%0.76SS**  trans-86.6131.8160.4-102.5-87.6000110.6
640H27.8Very low29.5Very low170 Ų170150.8 Ų150.879%0.78775%0.753SS**  trans-58.8173.1152.6-82-83.8000111.6
641P37.1Very low29.4Very low112 Ų112147.4 Ų147.473%0.72774%0.738SS**  cis-130.5-126.4-26.536.2-14.7000107.3
642P40.1Very low29.7Very low90 Ų90143.6 Ų143.658%0.58472%0.718SS**  cis-119.4173.2-44.136.5-21.4000113.3
643H32.6Very low29.7Very low161 Ų161137 Ų13775%0.74569%0.694SS**  167.3113.3124.7-90.6-74.8000106.4
644L25.9Very low29.4Very low140 Ų140137.9 Ų137.973%0.73369%0.692SS**  74.5137.975.4-92168.1000114.1
645L33.7Very low29.4Very low156 Ų156134.4 Ų134.482%0.81768%0.682SS**  trans83.9138.8179.6-54.2173000116
646H25Very low29.8Very low138 Ų138134.1 Ų134.164%0.63968%0.677SS**  cis-160.7-179-30.5-155.948.7000108.1
647N32.3Very low29.9Very low133 Ų133131.8 Ų131.871%0.71167%0.67SS**  trans67.7103.1177.2-52.9-17.1000112.3
648H26.5Very low30Very low141 Ų141131.4 Ų131.465%0.65367%0.669SS**  cis44.8112.541.8-64.2-54.3000110.7
649F28.9Very low30Very low187 Ų187130.3 Ų130.382%0.8266%0.664SS**  -139.9138.358.5-100.2-115.6000110.9
650H27.1Very low30.1Very low128 Ų128130.1 Ų130.159%0.59366%0.663SS**  54.49896.5-80.1-70.4000114.7
651Q25.7Very low30.2Very low98 Ų98132.9 Ų132.946%0.45867%0.668SS.*  cis98.5122.914.1-169.8-118.931.100115.8N1322 H1323Q651-N1322 PolarHBondContact O-ND2 2.84Å; Q651-N1322 PolarHBondContact OE1-ND2 3.39Å; Q651-H1323 PolarHBondContact NE2-CD2 3.24Å; Q651-H1323 PolarHBondContact NE2-NE2 3.05Å
652D32.6Very low29.8Very low64 Ų64134.3 Ų134.334%0.34267%0.67SS.*  trans178.1-165.3-165.2-67.5-46000109.8S1320 T1321 N1322D652-S1320 WeakPolarHBondContact CB-OG 3.47Å; D652-S1320 WeakPolarHBondContact OD2-CB 3.21Å; D652-S1320 PolarHBondContact OD2-OG 3.49Å; D652-T1321 VanDerWaalsContact CA-O 3.3Å; D652-T1321 WeakPolarHBondContact CA-O 3.48Å; D652-T1321 VanDerWaalsContact CB-C 3.49Å; D652-T1321 WeakPolarHBondContact CB-O 2.93Å; D652-T1321 WeakPolarHBondContact OD1-CA 3.37Å; D652-T1321 PolarHBondContact OD1-N 3.36Å; D652-T1321 PolarHBondContact OD2-N 3.47Å; D652-N1322 WeakPolarHBondContact OD1-CA 3.22Å; D652-N1322 WeakPolarHBondContact OD1-CB 3.23Å; D652-N1322 PolarHBondContact OD1-N 3.44Å
653K27.1Very low29.1Very low82 Ų82132.9 Ų132.936%0.35767%0.665SS.*BIsolated β-bridgecis61.1152.11.5-17.9153.2173.2168.40127.6F655 S1320 T1321 N1322 H1323K653-F655 HydrophobicContact CB-CD2 4.49Å; K653-F655 HydrophobicContact CD-CD2 3.66Å; K653-F655 HydrophobicContact CD-CE2 3.9Å; K653-F655 HydrophobicContact CG-CD2 4.16Å; K653-F655 HydrophobicContact CG-CE2 4.14Å; K653-S1320 CarbonylContact O-C 3.38Å; K653-S1320 WeakPolarHBondContact O-CA 3.44Å; K653-S1320 WeakPolarHBondContact O-CB 3.1Å; K653-T1321 WeakPolarHBondContact CA-O 3.15Å; K653-T1321 WeakPolarHBondContact CB-O 3.19Å; K653-T1321 VanDerWaalsContact CD-O 3.27Å; K653-T1321 WeakPolarHBondContact CD-O 3.22Å; K653-T1321 WeakPolarHBondContact CG-O 3.28Å; K653-T1321 PolarHBondContact O-N 3.29Å; K653-N1322 WeakPolarHBondContact CD-O 3.1Å; K653-N1322 WeakPolarHBondContact CE-O 3.39Å; K653-N1322 WeakPolarHBondContact CG-O 3.42Å; K653-H1323 VanDerWaalsContact CE-C 3.46Å; K653-H1323 WeakPolarHBondContact CE-O 3.26Å; K653-H1323 PolarHBondContact NZ-O 3.14Å
654L31.9Very low28.9Very low121 Ų121135.6 Ų135.663%0.63468%0.675SS**  -136.7136.3110.9-126.8175000107.4I1319 T1321L654-I1319 HydrophobicContact CD1-CG2 4.13Å; L654-T1321 HydrophobicContact CG-CG2 4.47Å
655F26.7Very low29Very low154 Ų154139.4 Ų139.468%0.67568%0.68SS**  trans-96.7167172.5-86.2-72.6000109.4K653K653-F655 HydrophobicContact CB-CD2 4.49Å; K653-F655 HydrophobicContact CD-CD2 3.66Å; K653-F655 HydrophobicContact CD-CE2 3.9Å; K653-F655 HydrophobicContact CG-CD2 4.16Å; K653-F655 HydrophobicContact CG-CE2 4.14Å
656P34.5Very low28.8Very low102 Ų102141 Ų14166%0.66268%0.68SS**  cis-132.4-154.93.327.7-2000113
657I30.8Very low29Very low137 Ų137140.7 Ų140.770%0.70369%0.688SS**  trans72.9106.5165.9-46.5165.3000113.5
658N27.2Very low28.9Very low154 Ų154139.5 Ų139.582%0.82469%0.687SS**  cis69.451.210.6-13840.7000116
659S30.7Very low28.8Very low97 Ų97138.9 Ų138.968%0.67869%0.689SS**  trans-100.977.7163.857.70000110.7Y661S659-Y661 PolarHBondContact O-N 2.96Å
660Q27.9Very low28.8Very low167 Ų167136.1 Ų136.178%0.7869%0.69SS**  trans-73.7102.5174.5-179.7-176.74.800110
661Y29.6Very low28.9Very low228 Ų228136.6 Ų136.689%0.89470%0.695SS**  trans-125.1102.5166.8-92.6-79.6000110.3S659S659-Y661 PolarHBondContact O-N 2.96Å
662D28.9Very low29Very low142 Ų142138 Ų13876%0.75971%0.71SS**  trans-100.6169175.8-176.428.6000110.8
663A26.4Very low28.8Very low60 Ų60142.7 Ų142.750%0.49674%0.735SS.*SBendtrans57.485.1157.500000117.1R665A663-R665 PolarHBondContact O-N 3Å
664K28Very low28.9Very low219 Ų219144.4 Ų144.495%0.95275%0.754SS**  33.472121.4-61.8179.9179.61780115.2
665R27.7Very low28.8Very low220 Ų220148.3 Ų148.383%0.8377%0.766SS**  trans-103.3152.3158-71.6-169.5173.3-146-2.8109.7A663A663-R665 PolarHBondContact O-N 3Å
666F29.4Very low28.9Very low189 Ų189145.8 Ų145.883%0.82977%0.767SS**  trans65.390.8-175.8-55-76.9000114.7P668F666-P668 WeakPolarHBondContact O-CD 3.43Å
667V28.8Very low28.9Very low131 Ų131146.3 Ų146.379%0.79477%0.77SS**PPolyproline II helixtrans-72.9116.4133.3173.60000106.3
668P31.5Very low28.8Very low108 Ų108146.2 Ų146.270%0.70178%0.776SS**PPolyproline II helixtrans-73.8128.8164.3-9.427.6000108.1F666F666-P668 WeakPolarHBondContact O-CD 3.43Å
669N24.6Very low28.7Very low129 Ų129147.1 Ų147.169%0.6977%0.768SS**PPolyproline II helixtrans-66.7144.7177.1-121.43.2000110.4I671N669-I671 HydrophobicContact CB-CG1 4.25Å; N669-I671 PolarHBondContact O-N 3.42Å
670P27.5Very low28.7Very low128 Ų128147.5 Ų147.583%0.83177%0.768SS**  trans-70.196171.128.9-33.2000109.9
671I29.2Very low28.9Very low139 Ų139145.9 Ų145.971%0.71377%0.77SS**  trans-97109.1-179.1-68.1178.1000110.3N669N669-I671 HydrophobicContact CB-CG1 4.25Å; N669-I671 PolarHBondContact O-N 3.42Å
672V28.2Very low29Very low127 Ų127144.6 Ų144.677%0.7777%0.769SS**  trans58.3118.9146.4-177.90000119
673L27.5Very low29.5Very low163 Ų163146.7 Ų146.785%0.85377%0.774SS**PPolyproline II helixtrans-65.8137.9163.2-68.6154.2000112.7
674P30.9Very low29.7Very low117 Ų117149 Ų14976%0.7678%0.778SS**PPolyproline II helixtrans-93.3151.6140.233.3-28.9000110.9
675K28.3Very low30.2Very low204 Ų204144 Ų14489%0.88777%0.768SS**PPolyproline II helixtrans-80.4167.4-176.4-69.2-179.6178.6178.40112.9
676S29.2Very low30.6Very low101 Ų101139.3 Ų139.371%0.70676%0.759SS**PPolyproline II helixtrans-54.7142.5177.451.10000114.1V678S676-V678 PolarHBondContact O-N 3.22Å
677P35.1Very low30.8Very low112 Ų112137.2 Ų137.273%0.72776%0.757SS**PPolyproline II helixtrans-70.9124.117329.8-33.6000111.1
678V28.7Very low31.1Very low135 Ų135138.6 Ų138.682%0.81876%0.759SS**PPolyproline II helixtrans-80.6127.3167.1175.50000108.3S676S676-V678 PolarHBondContact O-N 3.22Å
679W25Very low31.3Very low173 Ų173141.1 Ų141.166%0.65577%0.766SS**PPolyproline II helixtrans-87.4138.9167.8-84.182000110.3T1295W679-T1295 WeakPolarHBondContact CH2-O 2.99Å
680P31.4Very low31.5Very low105 Ų105145 Ų14568%0.68277%0.772SS**PPolyproline II helixtrans-73.4152.8-16828.2-35.9000114.3
681V30.8Very low31.7Very low134 Ų134147.6 Ų147.681%0.81278%0.775SS**PPolyproline II helixtrans-74140.3174.1176.50000110.3E683V681-E683 PolarHBondContact O-N 2.66Å
682F32.3Very low31.9Very low201 Ų201150.5 Ų150.588%0.88278%0.783SS**  trans-72.7105.4168.4-78.7-88.4000110.5N684F682-N684 PolarHBondContact O-N 3.48Å
683E38.3Very low31.9Very low186 Ų186152.6 Ų152.687%0.86978%0.784SS**  trans-66.1127.3171.4-67.8-167.6125.400111.4V681V681-E683 PolarHBondContact O-N 2.66Å
684N32Very low32Very low109 Ų109151.9 Ų151.958%0.58378%0.781SS**  trans67.598.1166.3-160.4-16.7000117.4F682 N686F682-N684 PolarHBondContact O-N 3.48Å; N684-N686 VanDerWaalsContact C-N 3.26Å; N684-N686 PolarHBondContact O-N 3.38Å; N684-N686 VanDerWaalsContact O-N 3.13Å; N684-N686 PolarHBondContact OD1-N 2.8Å; N684-N686 PolarHBondContact OD1-ND2 2.97Å
685P38.4Very low32Very low112 Ų112154.3 Ų154.373%0.72779%0.788SS**G310 helixtrans-75.33.1-175.531.3-36.6000116.1N687P685-N687 VanDerWaalsContact C-N 3.27Å; P685-N687 PolarHBondContact O-N 3.12Å; P685-N687 VanDerWaalsContact O-N 3.17Å
686N36.2Very low32Very low122 Ų122154.9 Ų154.965%0.65279%0.786SS**G310 helixtrans-68.9-14-170.4-79.2-71.1000115.7N684 L688 L689N684-N686 VanDerWaalsContact C-N 3.26Å; N684-N686 PolarHBondContact O-N 3.38Å; N684-N686 VanDerWaalsContact O-N 3.13Å; N684-N686 PolarHBondContact OD1-N 2.8Å; N684-N686 PolarHBondContact OD1-ND2 2.97Å; N686-L688 PolarHBondContact O-N 3.11Å; N686-L689 PolarHBondContact O-N 2.9Å
687N33Very low32.1Very low146 Ų146155.6 Ų155.678%0.78179%0.788SS**G310 helixtrans-70.7-9.6-179-83.2-30.7000115P685 L689 Y690P685-N687 VanDerWaalsContact C-N 3.27Å; P685-N687 PolarHBondContact O-N 3.12Å; P685-N687 VanDerWaalsContact O-N 3.17Å; N687-L689 PolarHBondContact O-N 3.49Å; N687-Y690 PolarHBondContact O-N 3.12Å
688L35.7Very low31.9Very low160 Ų160156 Ų15684%0.83879%0.791SS**G310 helixtrans-69.8-13.8174-84.5168.1000114N686 Y690N686-L688 PolarHBondContact O-N 3.11Å; L688-Y690 VanDerWaalsContact C-N 3.27Å; L688-Y690 PolarHBondContact O-N 3.24Å
689L34.6Very low31.8Very low161 Ų161156.3 Ų156.384%0.84378%0.783SS**G310 helixtrans-76.7-8.9178.2-132.575.3000114.2N686 N687N686-L689 PolarHBondContact O-N 2.9Å; N687-L689 PolarHBondContact O-N 3.49Å
690Y30.2Very low31.9Very low209 Ų209153.1 Ų153.182%0.8279%0.788SS**G310 helixtrans-112.519.6-170-111.2-82.5000116.4N687 L688N687-Y690 PolarHBondContact O-N 3.12Å; L688-Y690 VanDerWaalsContact C-N 3.27Å; L688-Y690 PolarHBondContact O-N 3.24Å
691M31.1Very low32.1Very low183 Ų183156.2 Ų156.290%0.90180%0.797SS**SBendtrans-126.936.1170.6-73.4-154.9176.200114.7
692K32.2Very low31.8Very low201 Ų201155.1 Ų155.187%0.87480%0.795SS**SBendtrans-141.133.6165.6-145.5176.6179.6178.90116.2
693Q30Very low31.5Very low171 Ų171153.8 Ų153.880%0.79979%0.794SS**SBendtrans-123.1157.3149.8-74-171.2-9.600108.8
694N29.6Very low31.2Very low148 Ų148149.2 Ų149.279%0.79178%0.781SS**  trans68.655.8178.9-50.8-31.7000116.1
695N30.7Very low31Very low168 Ų168154.7 Ų154.790%0.89880%0.795SS**  trans-105.697142.4-120.2-26.4000107.6
696Y27.2Very low30.9Very low216 Ų216154.9 Ų154.985%0.84780%0.796SS**  trans-133.6123.4169.5-106.1-76.1000107.9
697P30.6Very low30.5Very low115 Ų115152.9 Ų152.975%0.74780%0.804SS**PPolyproline II helixtrans-69.8161.5166.730.7-33.2000110.9
698P31Very low30.1Very low121 Ų121149.7 Ų149.779%0.78681%0.805SS**PPolyproline II helixtrans-86.7151.7-157.232.9-37.1000115.9
699E27.1Very low30Very low141 Ų141150.5 Ų150.566%0.65981%0.81SS**PPolyproline II helixtrans-78.2126.6157.2-68.9179.4164.500110.5R82R82-E699 IonicContact CZ-OE1 3.79Å; R82-E699 IonicContact CZ-OE2 2.85Å; R82-E699 IonicContact NH1-OE2 3.22Å; R82-E699 PolarHBondContact NH1-OE2 3.33Å; R82-E699 IonicContact NH2-OE1 3.29Å; R82-E699 PolarHBondContact NH2-OE1 2.99Å; R82-E699 IonicContact NH2-OE2 3.22Å; R82-E699 PolarHBondContact NH2-OE2 3.41Å
700S28.4Very low29.7Very low107 Ų107150.7 Ų150.775%0.74881%0.81SS**  trans-179171.2150350000111.4
701L33.9Very low29.8Very low170 Ų170146.5 Ų146.589%0.8981%0.811SS**  trans77.174.3179.4-53.6-177.2000116.6
702S25.1Very low29.6Very low110 Ų110147 Ų14777%0.76981%0.809SS**  trans-54.8146.3161.152.10000116.5
703M26.6Very low29.4Very low174 Ų174149 Ų14986%0.85781%0.81SS**  trans173161.9142.4-92.9-100.2127.600109.6
704P31.3Very low29.4Very low90 Ų90145 Ų14558%0.58481%0.806SS**  -136.8162.2-76.241-23.6000116.5
705Y28.1Very low29.2Very low224 Ų224146 Ų14688%0.87881%0.81SS**  trans72163.8150.5-95.9-113.5000117.9
706P36.2Very low28.8Very low116 Ų116143.3 Ų143.375%0.75380%0.804SS**  -140.9-172.6-117.643.3-22.9000116.5
707G28Very low29Very low80 Ų80137.9 Ų137.983%0.82580%0.797SS**  trans119.4106163.400000113.8
708G25.1Very low29Very low78 Ų78141.2 Ų141.280%0.80480%0.803SS**  cis11360.6-2.100000114.6
709L33.6Very low29Very low178 Ų178143.3 Ų143.393%0.93281%0.807SS**  trans-139.2118.2161.6-93.3176.9000110.3
710I26.9Very low29.1Very low165 Ų165145.4 Ų145.485%0.84681%0.814SS**  trans-101.8118.7171.7-58.3169000107.4
711S33.7Very low29.5Very low121 Ų121147.7 Ų147.785%0.84681%0.813SS**  trans-124.1141.4169.2-168.30000110.4
712K26.5Very low29.4Very low194 Ų194148.2 Ų148.284%0.84381%0.811SS**  trans-98.1127-165.7-60.2175.6-177.3175.70111.9
713R28.5Very low29.5Very low241 Ų241153 Ų15391%0.90982%0.818SS**  trans-146.3114.4150.7-106.7173.8173.9163.2-1.2107
714A29.1Very low29.7Very low87 Ų87150.2 Ų150.272%0.71982%0.816SS**  77.68551.600000113.1
715I25.3Very low29.7Very low169 Ų169156.5 Ų156.587%0.86783%0.828SS**  trans13116138.7-42.6171.3000115.7
716C23.7Very low30Very low113 Ų113153.7 Ų153.776%0.76483%0.826SS**  170.5147.2101.4-153.60000113.9
717S30.2Very low29.7Very low101 Ų101157 Ų15771%0.70683%0.834SS**  trans14.3114151.7175.90000120.5
718Q31.8Very low29.9Very low186 Ų186162.5 Ų162.587%0.86984%0.835SS**  trans-147.994.5145.9-164.5172.719.800111.6
719N30.9Very low30.3Very low165 Ų165166.4 Ų166.488%0.88284%0.838SS**  trans-167.988.1162.8-125.5-10.9000109.5
720K28.9Very low30.2Very low184 Ų184164.6 Ų164.680%0.883%0.829SS**  trans-150.527.3-171-145.9-171.7177.9-174.70116.3
721E36.1Very low30.6Very low156 Ų156166.3 Ų166.373%0.72983%0.831SS**SBendtrans-116.2-19.8-172.7-9668.6-144.400117
722E31.8Very low30.3Very low181 Ų181167.5 Ų167.585%0.84683%0.826SS**SBendtrans-102-23.4-161.4-153.8159.9-144.300116.6S724E722-S724 PolarHBondContact O-N 3.44Å
723F27.8Very low30.6Very low210 Ų210163.9 Ų163.992%0.92182%0.823SS**SBendtrans-99.646.6-174.7-104.4-89.1000114.9
724S29.9Very low30.6Very low116 Ų116157 Ų15781%0.81181%0.809SS**SBendtrans-14525.1178.6-63.70000115.4E722E722-S724 PolarHBondContact O-N 3.44Å
725R31.6Very low30.6Very low222 Ų222160.2 Ų160.284%0.83881%0.813SS**SBendtrans-1222.6179.3-95.1-167.6-69-159.9-1.5117.3
726I34.9Very low30.8Very low164 Ų164157.8 Ų157.884%0.84181%0.806SS**SBendtrans-120.9-13.6-173.9-59.8-179.4000113.7
727M30Very low30.8Very low187 Ų187157.1 Ų157.192%0.92180%0.803SS**SBendtrans-108.347.4176.1-63.3-156.2-58.900113.7
728K32Very low30.4Very low194 Ų194158.6 Ų158.684%0.84381%0.808SS**  trans-141.4106154.1-84.7-161.5173.6-167.10108.8
729N33.5Very low30.2Very low161 Ų161155.4 Ų155.486%0.86181%0.806SS**  trans-161134.1141.9-108.912.5000107.5
730D32.2Very low29.8Very low140 Ų140152.8 Ų152.875%0.74980%0.801SS**  trans-75.4159-170.5-46.4-87.4000112
731F33.4Very low29.9Very low200 Ų200153.2 Ų153.288%0.87781%0.805SS**  -177.9131.7108.6-109-81.2000111.1
732I27.7Very low29.4Very low146 Ų146150.1 Ų150.175%0.74981%0.806SS**  trans-113.2127.5172.5-60.9171.8000108.8P734I732-P734 HydrophobicContact CG2-CB 4.3Å; I732-P734 HydrophobicContact CG2-CG 4.47Å
733P33.3Very low29.3Very low119 Ų119150.3 Ų150.377%0.77381%0.812SS**  trans-106.2117.6151.232.4-23.5000110.1
734P29.5Very low29.2Very low96 Ų96144 Ų14462%0.62381%0.806SS**  trans-98.3-179.6179.236-29.7000113.1I732I732-P734 HydrophobicContact CG2-CB 4.3Å; I732-P734 HydrophobicContact CG2-CG 4.47Å
735L27.3Very low29.1Very low155 Ų155144.2 Ų144.281%0.81280%0.804SS**  trans77154.7169.3-44.7175.3000114.9
736T29.5Very low29.4Very low117 Ų117139.2 Ų139.272%0.71880%0.801SS**  cis-151.71555.2-18.60000113.1
737S24.3Very low29.2Very low100 Ų100137.4 Ų137.470%0.69979%0.791SS**  trans27.3113.4147.961.20000122.5
738V22.8Very low29Very low132 Ų132138.1 Ų138.180%0.878%0.784SS**  trans0.8130.4131.9-167.20000118.2
739S27.5Very low28.8Very low119 Ų119135 Ų13583%0.83277%0.767SS**  trans-147.5139.4147.467.20000110.7
740S23.1Very low28.4Very low110 Ų110131.5 Ų131.577%0.76975%0.754SS**  trans-110.1116.3-168.8-55.70000113
741Q30.5Very low28.3Very low193 Ų193127.8 Ų127.890%0.90273%0.73SS**  trans-142.1116.7161.2-61.1-176.8-0.300106
742A25Very low27.9Very low90 Ų90128.9 Ų128.974%0.74473%0.729SS**  cis85.613146.100000113.6
743L29.5Very low28Very low186 Ų186124.5 Ų124.597%0.97472%0.719SS**  trans77.5126176.7-51.3170.9000117.3
744G26Very low27.7Very low76 Ų76127.5 Ų127.578%0.78473%0.728SS**  trans135.490.3165.900000116.8
745P27.2Very low27.6Very low121 Ų121133 Ų13379%0.78674%0.738SS**  trans-107.3178.5173.942-34.6000112.7
746P37.5Very low27.6Very low117 Ų117133.7 Ų133.776%0.7674%0.739SS**  -110157.1-68.436.7-25.5000111.8
747I31.5Very low27.5Very low126 Ų126135.9 Ų135.965%0.64674%0.743SS**  trans-87.1169.9176-50.5170.9000108.9S1464 T1465I747-S1464 WeakPolarHBondContact CB-O 3.5Å; I747-S1464 VanDerWaalsContact CG2-O 3.29Å; I747-S1464 WeakPolarHBondContact CG2-O 2.92Å; I747-T1465 VanDerWaalsContact CA-OG1 3.32Å; I747-T1465 WeakPolarHBondContact CA-OG1 3.3Å; I747-T1465 WeakPolarHBondContact CB-OG1 3.39Å; I747-T1465 PolarHBondContact N-OG1 3.38Å; I747-T1465 VanDerWaalsContact N-OG1 3.16Å; I747-T1465 PolarHBondContact O-OG1 3.06Å
748R25.6Very low27.9Very low202 Ų202136.7 Ų136.776%0.76275%0.745SS**  trans-127.3121.6-159.7-157.7-175.7-134.8-163.63.8113D1463 S1464R748-D1463 CarbonylContact O-C 3.57Å; R748-D1463 WeakPolarHBondContact O-CA 3.32Å; R748-D1463 PolarHBondContact O-N 3.04Å; R748-S1464 PolarHBondContact O-N 3.16Å
749W27.9Very low28.1Very low128 Ų128141.4 Ų141.449%0.48575%0.749SS.*  trans-71.4148.5163.5-70.6114.1000111.4D1463 T1465 L1466W749-D1463 HydrophobicContact CE3-CB 3.66Å; W749-D1463 VanDerWaalsContact CE3-OD1 3.31Å; W749-D1463 HydrophobicContact CZ3-CB 3.84Å; W749-T1465 VanDerWaalsContact CD1-O 3.23Å; W749-T1465 PolarHBondContact N-O 3.04Å; W749-T1465 VanDerWaalsContact NE1-C 3.25Å; W749-L1466 VanDerWaalsContact CD1-CB 3.46Å
750C24.6Very low28.1Very low89 Ų89144.2 Ų144.260%0.60175%0.746SS**  trans-157-9.5166.4-95.10000115.6E1461 D1463C750-E1461 CarbonylContact C-O 3.21Å; C750-E1461 WeakPolarHBondContact CA-O 3.2Å; C750-E1461 WeakPolarHBondContact CB-O 3.25Å; C750-D1463 PolarHBondContact N-OD1 3.43Å
751Y30Very low28.5Very low61 Ų61144.5 Ų144.524%0.23975%0.746CS.*  trans-118.3153-175.2-84.9-18.8000113.4S1459 L1460 E1461 P1462 D1463Y751-S1459 VanDerWaalsContact OH-CA 3.28Å; Y751-S1459 WeakPolarHBondContact OH-CA 3.2Å; Y751-S1459 PolarHBondContact OH-OG 3.37Å; Y751-S1459 VanDerWaalsContact OH-OG 3.08Å; Y751-L1460 VanDerWaalsContact CZ-N 3.29Å; Y751-L1460 VanDerWaalsContact OH-CA 3.31Å; Y751-L1460 WeakPolarHBondContact OH-CA 3.24Å; Y751-L1460 PolarHBondContact OH-N 2.68Å; Y751-E1461 VanDerWaalsContact CB-CB 3.49Å; Y751-E1461 WeakPolarHBondContact CB-O 3.4Å; Y751-E1461 HydrophobicContact CD1-CB 2.31Å; Y751-E1461 HydrophobicContact CD1-CG 3.85Å; Y751-E1461 WeakPolarHBondContact CD1-O 3.41Å; Y751-E1461 HydrophobicContact CD2-CB 2.3Å; Y751-E1461 HydrophobicContact CD2-CG 2.78Å; Y751-E1461 WeakPolarHBondContact CD2-O 3.32Å; Y751-E1461 HydrophobicContact CE1-CB 2.32Å; Y751-E1461 HydrophobicContact CE1-CG 3.83Å; Y751-E1461 HydrophobicContact CE2-CB 2.31Å; Y751-E1461 HydrophobicContact CE2-CG 2.75Å; Y751-E1461 WeakPolarHBondContact CE2-OE1 3.15Å; Y751-E1461 HydrophobicContact CG-CB 2.31Å; Y751-E1461 HydrophobicContact CG-CG 3.38Å; Y751-E1461 PolarHBondContact N-O 2.95Å; Y751-E1461 VanDerWaalsContact N-O 3.12Å; Y751-E1461 VanDerWaalsContact OH-CB 3.24Å; Y751-E1461 WeakPolarHBondContact OH-CB 3.47Å; Y751-E1461 PolarHBondContact OH-N 3.05Å; Y751-E1461 PolarHBondContact OH-OE1 2.83Å; Y751-P1462 VanDerWaalsContact CD2-CA 3.49Å; Y751-P1462 HydrophobicContact CD2-CB 3.75Å; Y751-P1462 HydrophobicContact CD2-CG 3.99Å; Y751-P1462 HydrophobicContact CE2-CG 4.22Å; Y751-D1463 PolarHBondContact N-OD1 3.37Å
752R26.6Very low28.4Very low224 Ų224141.4 Ų141.485%0.84574%0.74SS**  cis87.552.53.4-146.3-172.5-167.8178.75.6119.3E1461R752-E1461 WeakPolarHBondContact O-CG 3.08Å
753G28.3Very low28.8Very low53 Ų53143.6 Ų143.655%0.54674%0.744SS.*  trans-148.9112.4162.800000114Y755G753-Y755 PolarHBondContact O-N 3.32Å
754L27.5Very low28.6Very low183 Ų183139.8 Ų139.896%0.95873%0.733SS**  trans-7885.4178.5-77169.4000111.7M756L754-M756 PolarHBondContact O-N 2.96Å
755Y28Very low28.8Very low212 Ų212142.9 Ų142.983%0.83174%0.737SS**  trans-82.3112.8174.4-88.1-83.3000113.1G753G753-Y755 PolarHBondContact O-N 3.32Å
756M27.9Very low28.8Very low169 Ų169143 Ų14383%0.83374%0.736SS**  trans-17135170.3-64.5-68.9166.400118.4L754L754-M756 PolarHBondContact O-N 2.96Å
757M26.1Very low28.4Very low162 Ų162144.4 Ų144.480%0.79874%0.735SS**PPolyproline II helixtrans-56.5133.6164.3-86.5-16969.600112.5
758P33.5Very low28.2Very low117 Ų117144.7 Ų144.776%0.7674%0.738SS**PPolyproline II helixtrans-62.3153.5162.7-22.234.5000112.7
759R26.4Very low28.5Very low231 Ų231142.9 Ų142.987%0.87274%0.743SS**PPolyproline II helixtrans-82.4146.6-179.7-71.6178.1173.3164.6-2.3112.7
760F27.3Very low28.5Very low178 Ų178144.7 Ų144.778%0.78176%0.762SS**PPolyproline II helixtrans-62.4142.1165.9-70.6-95.6000112.7V762F760-V762 HydrophobicContact CB-CG2 4.44Å
761P31.9Very low29.1Very low117 Ų117145.8 Ų145.876%0.7677%0.768SS**PPolyproline II helixtrans-84.7132.4138.333-26.6000109.7
762V28.3Very low29Very low128 Ų128149.2 Ų149.278%0.77680%0.795SS**PPolyproline II helixtrans-99.4116.2173.81760000109.1F760F760-V762 HydrophobicContact CB-CG2 4.44Å
763T33.5Very low29.1Very low135 Ų135143.8 Ų143.883%0.82879%0.791SS**  trans-109.6107.3167.642.40000109.8
764S24.7Very low29.1Very low107 Ų107145.8 Ų145.875%0.74880%0.802SS**  trans-85.4116.2-179.554.20000112
765T31.4Very low29.3Very low141 Ų141142.7 Ų142.787%0.86579%0.791SS**  trans-118.393.4162.238.20000110
766T27.1Very low29.2Very low124 Ų124137 Ų13776%0.76179%0.788SS**  trans-66.8139165.9480000110.6
767I27.9Very low29Very low145 Ų145138.2 Ų138.274%0.74479%0.789SS**  173.6123.1126.5-90.2155.4000111.1
768N27.1Very low29.1Very low132 Ų132135.7 Ų135.771%0.70678%0.783SS**  trans38.6106.6151.1-51-8.3000120.3
769N32.5Very low28.7Very low164 Ų164137.4 Ų137.488%0.87779%0.785SS**  -173.5138.398.1-87.4-28.6000112.8
770L28Very low28.8Very low166 Ų166131.4 Ų131.487%0.86977%0.774SS**  trans-114.5172.6173.3-123.571.2000108.4
771P37.9Very low28.8Very low112 Ų112129.2 Ų129.273%0.72778%0.775SS**  cis-129.3179.1-9.432.5-12.1000114.4
772V26.5Very low28.8Very low134 Ų134129 Ų12981%0.81277%0.772SS**  trans-84.6134.7169.31740000110.6A774V772-A774 HydrophobicContact CG1-CB 4.23Å
773S29.6Very low28.7Very low110 Ų110129.6 Ų129.677%0.76978%0.776SS**  trans-101.588168.758.30000111.1T775S773-T775 PolarHBondContact O-N 3.21Å
774A27.4Very low28.5Very low94 Ų94127.5 Ų127.578%0.77777%0.767SS**  trans-92.477.3176.400000111V772 A776V772-A774 HydrophobicContact CG1-CB 4.23Å; A774-A776 PolarHBondContact O-N 3.2Å
775T31.7Very low28.7Very low118 Ų118130.2 Ų130.272%0.72477%0.767SS**  trans-76.3112.1169.746.10000109.7S773 F777S773-T775 PolarHBondContact O-N 3.21Å; T775-F777 PolarHBondContact O-N 3.24Å
776A26.4Very low28.5Very low93 Ų93130.3 Ų130.377%0.76976%0.761SS**  trans-62.4118.8176.600000110.6A774 V778A774-A776 PolarHBondContact O-N 3.2Å; A776-V778 PolarHBondContact O-N 3.33Å; A776-V778 VanDerWaalsContact O-N 3.12Å
777F23.9Very low28.4Very low194 Ų194130 Ų13085%0.85176%0.763SS**  trans-78.495.1173.5-120-95000109.1T775 L779T775-F777 PolarHBondContact O-N 3.24Å; F777-L779 PolarHBondContact O-N 3.41Å
778V28.4Very low28.3Very low109 Ų109128.3 Ų128.366%0.66176%0.763SS**  trans-73.4105.8171.5-178.10000107.8A776 T780A776-V778 PolarHBondContact O-N 3.33Å; A776-V778 VanDerWaalsContact O-N 3.12Å; V778-T780 HydrophobicContact CG1-CG2 4.09Å; V778-T780 PolarHBondContact O-N 2.83Å
779L25.6Very low28.4Very low154 Ų154128.4 Ų128.481%0.80676%0.763SS**  trans-7770.7173.7-89.3162000110.6F777 T781F777-L779 PolarHBondContact O-N 3.41Å; L779-T781 PolarHBondContact O-N 3.04Å
780T28.2Very low28Very low104 Ų104125.1 Ų125.164%0.63876%0.759SS**  trans-68.1108.7162.338.40000109.3V778 T782V778-T780 HydrophobicContact CG1-CG2 4.09Å; V778-T780 PolarHBondContact O-N 2.83Å; T780-T782 PolarHBondContact O-N 2.71Å
781T27.8Very low28Very low132 Ų132127 Ų12781%0.8176%0.756SS**  trans-72.884.4172.946.60000110.9L779L779-T781 PolarHBondContact O-N 3.04Å
782T30.7Very low27.5Very low114 Ų114129.2 Ų129.270%0.69976%0.757SS**  trans-91.496.917052.30000110.4T780 S784T780-T782 PolarHBondContact O-N 2.71Å; T782-S784 PolarHBondContact O-N 3.05Å
783T27.1Very low27.4Very low140 Ų140133.6 Ų133.686%0.85976%0.761SS**  trans-71.7103.2168.143.60000110
784S29.6Very low27.3Very low90 Ų90134.1 Ų134.163%0.62976%0.755SS**  trans-134.5104.4178.262.60000112.8T782T782-S784 PolarHBondContact O-N 3.05Å
785H28.8Very low27.2Very low165 Ų165133.5 Ų133.576%0.76475%0.75SS**  trans41.8106.4150.6-49.9-71.8000120.3C787H785-C787 PolarHBondContact O-N 3.45Å
786I26.5Very low27Very low143 Ų143137.9 Ų137.973%0.73375%0.754SS**  37.285.5128.3-47.4171.1000115.9S788I786-S788 VanDerWaalsContact CG2-OG 3.3Å; I786-S788 WeakPolarHBondContact CG2-OG 3.42Å
787C25.8Very low26.9Very low118 Ų118139.1 Ų139.180%0.79775%0.748SS**  trans-93.596143-86.20000108.4H785 L789H785-C787 PolarHBondContact O-N 3.45Å; C787-L789 PolarHBondContact O-N 3.12Å
788S25.2Very low27Very low108 Ų108141.4 Ų141.476%0.75575%0.751SS**  trans-71.467.6166.1-65.60000110I786 A790I786-S788 VanDerWaalsContact CG2-OG 3.3Å; I786-S788 WeakPolarHBondContact CG2-OG 3.42Å; S788-A790 VanDerWaalsContact C-N 3.27Å; S788-A790 PolarHBondContact O-N 2.97Å
789L28.8Very low27.1Very low134 Ų134141.8 Ų141.870%0.70275%0.749SS**  trans-68.692.6165.6-81.6172.1000108C787 Y791C787-L789 PolarHBondContact O-N 3.12Å; L789-Y791 HydrophobicContact CB-CD2 4.29Å; L789-Y791 PolarHBondContact O-N 2.86Å
790A25.1Very low27.3Very low96 Ų96141 Ų14179%0.79375%0.746SS**  trans-64.377.116100000108.6S788 E792S788-A790 VanDerWaalsContact C-N 3.27Å; S788-A790 PolarHBondContact O-N 2.97Å; A790-E792 PolarHBondContact O-N 3.14Å
791Y27.6Very low27.3Very low204 Ų204143.2 Ų143.280%0.875%0.754SS**  trans-67.7114.6169.4-114.4-78.6000107.8L789L789-Y791 HydrophobicContact CB-CD2 4.29Å; L789-Y791 PolarHBondContact O-N 2.86Å
792E26.1Very low27.2Very low160 Ų160145.3 Ų145.375%0.74875%0.754SS**  trans-53.7144.8-174.9-75.2-179.7107.600112.2A790 N794A790-E792 PolarHBondContact O-N 3.14Å; E792-N794 PolarHBondContact O-N 3.1Å
793Y25.2Very low27.1Very low226 Ų226144.5 Ų144.589%0.88675%0.751SS**  trans-71.666.8-179.2-154.7-94.9000110.8A795Y793-A795 HydrophobicContact CD1-CB 4.35Å; Y793-A795 PolarHBondContact O-N 3.4Å
794N27.3Very low27.2Very low121 Ų121146.4 Ų146.465%0.64776%0.755SS**  trans-69.979.1-178.5-94.1-74.8000110.7E792 Y796E792-N794 PolarHBondContact O-N 3.1Å; N794-Y796 PolarHBondContact O-N 2.98Å
795A25.6Very low27.1Very low81 Ų81149 Ų14967%0.66976%0.761SS**  trans-73.756.2-178.900000112.7Y793 N797Y793-A795 HydrophobicContact CD1-CB 4.35Å; Y793-A795 PolarHBondContact O-N 3.4Å; A795-N797 PolarHBondContact O-N 3.46Å
796Y27.2Very low26.8Very low210 Ų210148.6 Ų148.682%0.82476%0.761SS**  trans-89.183.8178-111.9-84000113.5N794N794-Y796 PolarHBondContact O-N 2.98Å
797N24.5Very low26.9Very low119 Ų119148.2 Ų148.264%0.63676%0.76SS**  trans46.591.8144.8-158.8-10.1000118.5A795 N799A795-N797 PolarHBondContact O-N 3.46Å; N797-N799 PolarHBondContact O-N 3.49Å; N797-N799 PolarHBondContact OD1-ND2 3.19Å; N797-N799 VanDerWaalsContact OD1-ND2 3.09Å
798R27Very low26.8Very low241 Ų241148.6 Ų148.691%0.90976%0.755SS**  trans-64.4108.2162177.5-157.5-154.3-176.19.6111.3
799N29.1Very low26.8Very low117 Ų117152.5 Ų152.563%0.62675%0.754SS**  trans-148.6129.1165-103.3-60.2000115.1N797N797-N799 PolarHBondContact O-N 3.49Å; N797-N799 PolarHBondContact OD1-ND2 3.19Å; N797-N799 VanDerWaalsContact OD1-ND2 3.09Å
800N30.5Very low26.6Very low138 Ų138153.4 Ų153.474%0.73875%0.754SS**  trans57.577151.7-56.7-25000120.5
801N27.5Very low26.7Very low150 Ų150154.6 Ų154.680%0.80276%0.757SS**  25.5137.4107.9-82.5-3.1000120.7
802Q26.6Very low26.7Very low176 Ų176153.2 Ų153.282%0.82276%0.758SS**  trans84.8145.1155.5-64.1-69.1-26.400118.1
803P29Very low26.8Very low98 Ų98152.4 Ų152.464%0.63676%0.758SS**  trans-99170.5-155.139.6-38.9000115.4I805P803-I805 PolarHBondContact O-N 2.98Å
804L28.3Very low27Very low180 Ų180147.7 Ų147.794%0.94276%0.755SS**  trans-59.298.3169.8-68160.1000111.8M806L804-M806 PolarHBondContact O-N 3.44Å
805I26.7Very low27.1Very low145 Ų145149.8 Ų149.874%0.74477%0.766SS**  trans-78.6118.7164-66.9-179.1000108.9P803 N807P803-I805 PolarHBondContact O-N 2.98Å; I805-N807 PolarHBondContact O-N 2.98Å
806M24Very low27.3Very low156 Ų156149.1 Ų149.177%0.76877%0.766SS**  trans-66.689.4-180-175.481.716700111.8L804 N808L804-M806 PolarHBondContact O-N 3.44Å; M806-N808 PolarHBondContact O-N 3.11Å
807N27.1Very low27.4Very low135 Ų135144.9 Ų144.972%0.72277%0.767SS**  trans-87.2102.4169.2-92.7-23000110.7I805 Y809I805-N807 PolarHBondContact O-N 2.98Å; N807-Y809 PolarHBondContact O-N 3.45Å
808N24.3Very low27.4Very low126 Ų126142.6 Ų142.667%0.67477%0.772SS**  trans-69.3108.5172.4-67.2-69000110.6M806M806-N808 PolarHBondContact O-N 3.11Å
809Y26.2Very low27.8Very low190 Ų190137.1 Ų137.175%0.74577%0.768SS**  trans-133.7114.9161.9-81.8-79000111.7N807N807-Y809 PolarHBondContact O-N 3.45Å
810Q23.2Very low27.8Very low152 Ų152137.8 Ų137.871%0.7178%0.775SS**  trans42.194.1153.7-67.2163.4-89.400117.7E812Q810-E812 PolarHBondContact O-N 2.84Å; Q810-E812 VanDerWaalsContact O-N 3.16Å
811S28.5Very low27.7Very low122 Ų122138 Ų13885%0.85378%0.775SS**  trans-69.599.1146.5-56.40000109L813S811-L813 PolarHBondContact O-N 3.45Å
812E26.2Very low27.6Very low175 Ų175142.3 Ų142.382%0.81878%0.78SS**  trans-67.9119.6169-64.6-171.1141.300109.7Q810Q810-E812 PolarHBondContact O-N 2.84Å; Q810-E812 VanDerWaalsContact O-N 3.16Å
813L28.3Very low27.8Very low143 Ų143142 Ų14275%0.74978%0.779SS**  trans-135.1106.2173.3-116.6166.8000107.8S811 L815S811-L813 PolarHBondContact O-N 3.45Å; L813-L815 PolarHBondContact O-N 2.83Å; L813-L815 VanDerWaalsContact O-N 3.08Å
814P29.5Very low27.8Very low126 Ų126145.6 Ų145.682%0.81879%0.785SS**  trans-73.5104.4-170.827.5-34.1000111.4G816P814-G816 PolarHBondContact O-N 3.41Å
815L30Very low27.7Very low166 Ų166142.8 Ų142.887%0.86978%0.775SS**  trans-76.7113171-100.565.9000110.4L813L813-L815 PolarHBondContact O-N 2.83Å; L813-L815 VanDerWaalsContact O-N 3.08Å
816G29.1Very low27.6Very low66 Ų66144.5 Ų144.568%0.6878%0.78SS**  trans-76.1140.2170.700000112.7P814P814-G816 PolarHBondContact O-N 3.41Å
817S29.7Very low28.2Very low121 Ų121142 Ų14285%0.84678%0.775SS**  trans29.1101.3150.759.60000118.7
818G24.3Very low28.2Very low71 Ų71143.9 Ų143.973%0.73278%0.78SS**  trans-85.3-162.814700000111.3
819P36.2Very low28.4Very low127 Ų127143.3 Ų143.383%0.82578%0.776SS**  cis-126.5149.3-9.938.1-24000113.2
820V28.4Very low28.5Very low130 Ų130143.3 Ų143.379%0.78878%0.78SS**  trans-132117.7179.6178.50000111.1
821I29.1Very low28.9Very low144 Ų144141.5 Ų141.574%0.73878%0.782SS**  trans52.291.8157.1-57.5168.3000115.3
822R24.3Very low28.8Very low240 Ų240141.6 Ų141.691%0.90678%0.782SS**  38.9100.388.1-81.6-169.5170.7-171.9-1.6115.4
823Q30.7Very low28.9Very low168 Ų168138.7 Ų138.779%0.78578%0.782SS**  trans-160.3142.9144.4-110.8177.59.100112.8
824F29.6Very low29Very low175 Ų175140.6 Ų140.677%0.76879%0.789SS**  trans41.786.9162.3-58.2-65.8000121.7
825T27.2Very low29.1Very low121 Ų121144.6 Ų144.674%0.74279%0.793SS**  30.9105.1104.6-45.10000120.2
826E24.2Very low29.2Very low181 Ų181142.3 Ų142.385%0.84679%0.791SS**  trans67.7169.7137.8-98-160.9127.700120.6
827P35.7Very low29.4Very low103 Ų103145.3 Ų145.367%0.66979%0.788SS**  -120.8172.6-129.944-32.7000114.9
828E28Very low29.7Very low174 Ų174143.8 Ų143.881%0.81378%0.777SS**  trans-158129140.4-85.2-134.613700113.3
829L27.6Very low30.3Very low114 Ų114143.6 Ų143.660%0.59776%0.758SS**  trans45.5120.4143.6-66.7132.4000124.7
830F28.7Very low30.3Very low190 Ų190145.5 Ų145.583%0.83376%0.756SS**  trans83.5151.5136.3-71.8-33.8000122.2
831P31.3Very low30.8Very low115 Ų115143.2 Ų143.275%0.74774%0.737SS**  trans-119.5134.4-146.536.4-20.5000114.9S833P831-S833 PolarHBondContact O-N 3.33Å
832S26.9Very low31.7Very low123 Ų123142.6 Ų142.686%0.8674%0.735SS**  trans-75.890.2171.859.90000111.9M834S832-M834 PolarHBondContact O-N 3.32Å
833S27.6Very low32.7Very low115 Ų115136.3 Ų136.380%0.80472%0.723SS**  trans-64.4120.6155.3-179.90000108.8P831P831-S833 PolarHBondContact O-N 3.33Å
834M30.6Very low33.8Very low182 Ų182133.2 Ų133.290%0.89772%0.716SS**  trans168.383.3159.3-91.6-83.9171.700108.6S832S832-M834 PolarHBondContact O-N 3.32Å
835K32.6Very low34.8Very low210 Ų210130.3 Ų130.391%0.91371%0.705SS**  trans-123.8111.8160.4-99.5-173.6175.9179.20109.2E837K835-E837 PolarHBondContact O-N 3.42Å
836S30.6Very low36.5Very low118 Ų118129.7 Ų129.783%0.82570%0.695SS**PPolyproline II helixtrans-65.3118.8178.251.30000111.4
837E34.7Very low39Very low130 Ų130122.5 Ų122.561%0.60766%0.662SS**PPolyproline II helixtrans-61.1139.3156.3-64.3164115.600108.7K835 Q1486 K1487K835-E837 PolarHBondContact O-N 3.42Å; E837-Q1486 VanDerWaalsContact C-NE2 3.33Å; E837-Q1486 PolarHBondContact O-NE2 3.17Å; E837-Q1486 PolarHBondContact O-OE1 2.87Å; E837-K1487 WeakPolarHBondContact OE2-CE 3.38Å; E837-K1487 IonicContact OE2-NZ 2.76Å; E837-K1487 PolarHBondContact OE2-NZ 2.8Å
838S35.5Very low41Very low89 Ų89122.1 Ų122.162%0.62265%0.65SS**PPolyproline II helixtrans-80141.4-178.850.10000112.7H840 Q1486S838-H840 PolarHBondContact O-N 2.97Å; S838-H840 VanDerWaalsContact O-N 3.09Å; S838-Q1486 VanDerWaalsContact C-NE2 3.26Å; S838-Q1486 PolarHBondContact O-NE2 3.29Å; S838-Q1486 VanDerWaalsContact O-NE2 3.14Å
839I36Very low43.8Very low66 Ų66118.8 Ų118.834%0.33864%0.642SS.*  trans-79.684.5170-52153.4000108.5Q841 S1484 Q1486I839-Q841 HydrophobicContact CG2-CG 4.26Å; I839-Q841 PolarHBondContact O-N 3.18Å; I839-S1484 WeakPolarHBondContact CG2-OG 3.13Å; I839-Q1486 HydrophobicContact CB-CG 4.49Å; I839-Q1486 HydrophobicContact CD1-CB 4.04Å; I839-Q1486 HydrophobicContact CG1-CB 3.51Å; I839-Q1486 HydrophobicContact CG1-CG 3.58Å
840H36.6Very low46.5Very low168 Ų168116.4 Ų116.478%0.77864%0.635SS**  trans-78.5102.8160.6-89.3-64.7000109.2S838 N842S838-H840 PolarHBondContact O-N 2.97Å; S838-H840 VanDerWaalsContact O-N 3.09Å; H840-N842 VanDerWaalsContact C-N 3.29Å; H840-N842 PolarHBondContact O-N 3.2Å
841Q39.6Very low49.2Very low81 Ų81111.5 Ų111.538%0.37962%0.617SS.*  trans-62.591.9166-66.5175.926.500108.2I839 T843 S1482 S1484I839-Q841 HydrophobicContact CG2-CG 4.26Å; I839-Q841 PolarHBondContact O-N 3.18Å; Q841-T843 PolarHBondContact O-N 3.23Å; Q841-S1482 PolarHBondContact NE2-OG 2.92Å; Q841-S1482 PolarHBondContact OE1-OG 2.8Å; Q841-S1484 PolarHBondContact NE2-OG 3.3Å
842N46.9Very low52.1Low131 Ų131111.5 Ų111.570%0.70161%0.61SS**  trans-77.6107.4175.3-162.215.1000108H840 T844H840-N842 VanDerWaalsContact C-N 3.29Å; H840-N842 PolarHBondContact O-N 3.2Å; N842-T844 PolarHBondContact O-N 3.4Å
843T45.5Very low55.1Low108 Ų108112.8 Ų112.866%0.66360%0.6SS**  trans-51.4128.1-178.3-57.20000110.2Q841 Q845Q841-T843 PolarHBondContact O-N 3.23Å; T843-Q845 PolarHBondContact O-N 3.39Å
844T54.9Low58.1Low103 Ų103112.2 Ų112.263%0.63258%0.584SS**  trans-68.981.7172.652.60000110.2N842N842-T844 PolarHBondContact O-N 3.4Å
845Q51Low60.9Low114 Ų114107 Ų10753%0.53356%0.561SS.*  trans-48.3131.9157.9-143.6-154.1-1.200105.5T843 N1493 S1494T843-Q845 PolarHBondContact O-N 3.39Å; Q845-N1493 CarbonylContact C-O 3.17Å; Q845-N1493 WeakPolarHBondContact CB-O 3.18Å; Q845-N1493 CarbonylContact O-C 3.58Å; Q845-S1494 VanDerWaalsContact C-CA 3.43Å; Q845-S1494 VanDerWaalsContact CD-CB 3.45Å; Q845-S1494 PolarHBondContact O-N 2.98Å
846M62.3Low63.8Low108 Ų108102.9 Ų102.953%0.53254%0.544SS..  trans-114.466.1-153.3169.1-123.3-66.800113.8F848 S1495M846-F848 PolarHBondContact O-N 2.76Å; M846-S1495 VanDerWaalsContact O-CB 3.22Å; M846-S1495 WeakPolarHBondContact O-CB 3.45Å; M846-S1495 PolarHBondContact O-OG 2.74Å
847D76.8Confident66.7Low31 Ų31102.6 Ų102.617%0.16653%0.53CS..  trans-1199.9-163.9-167.414.1000120T849 S850 L851 N1493 S1494 S1495D847-T849 VanDerWaalsContact C-N 3.26Å; D847-T849 PolarHBondContact O-N 2.77Å; D847-T849 WeakPolarHBondContact OD1-CB 3.18Å; D847-T849 PolarHBondContact OD1-N 2.8Å; D847-T849 PolarHBondContact OD1-OG1 3.37Å; D847-S850 WeakPolarHBondContact O-CB 3.44Å; D847-S850 PolarHBondContact O-N 3.41Å; D847-S850 WeakPolarHBondContact OD2-CB 3.44Å; D847-S850 PolarHBondContact OD2-N 3.11Å; D847-L851 PolarHBondContact O-N 2.74Å; D847-L851 VanDerWaalsContact O-N 3.12Å; D847-N1493 HydrophobicContact CB-CB 3.77Å; D847-N1493 VanDerWaalsContact CB-ND2 3.27Å; D847-N1493 WeakPolarHBondContact CB-ND2 3.4Å; D847-N1493 PolarHBondContact OD2-ND2 3.18Å; D847-S1494 CarbonylContact C-O 3.47Å; D847-S1494 WeakPolarHBondContact CA-O 3.16Å; D847-S1494 VanDerWaalsContact N-N 3.18Å; D847-S1495 VanDerWaalsContact C-OG 3.32Å
848F77.5Confident69.5Low94 Ų94100.7 Ų100.741%0.41252%0.524SS..Hα-helixtrans-68.9-29.4179.3-95.5-30.7000112M846 S850 L851 L852 S1494 S1495 S1496M846-F848 PolarHBondContact O-N 2.76Å; F848-S850 VanDerWaalsContact C-N 3.28Å; F848-S850 PolarHBondContact O-N 3.14Å; F848-L851 PolarHBondContact O-N 3.42Å; F848-L852 VanDerWaalsContact O-CB 3.31Å; F848-L852 WeakPolarHBondContact O-CB 3.19Å; F848-L852 PolarHBondContact O-N 3.36Å; F848-S1494 PolarHBondContact N-O 3.2Å; F848-S1495 WeakPolarHBondContact CA-OG 3.27Å; F848-S1495 VanDerWaalsContact CB-OG 3.24Å; F848-S1495 WeakPolarHBondContact CB-OG 3.29Å; F848-S1495 WeakPolarHBondContact CD1-OG 3.43Å; F848-S1495 WeakPolarHBondContact CD2-OG 3.12Å; F848-S1495 WeakPolarHBondContact CG-OG 3.22Å; F848-S1495 PolarHBondContact N-OG 3.15Å; F848-S1496 VanDerWaalsContact CE2-CA 3.49Å
849T85.8Confident72.2Confident105 Ų105102.4 Ų102.464%0.64452%0.52SS*.Hα-helixtrans-64.9-38.5178.1-18.20000110.1D847 K853D847-T849 VanDerWaalsContact C-N 3.26Å; D847-T849 PolarHBondContact O-N 2.77Å; D847-T849 WeakPolarHBondContact OD1-CB 3.18Å; D847-T849 PolarHBondContact OD1-N 2.8Å; D847-T849 PolarHBondContact OD1-OG1 3.37Å; T849-K853 WeakPolarHBondContact O-CB 3.42Å; T849-K853 PolarHBondContact O-N 2.78Å
850S85.1Confident74.9Confident64 Ų64105 Ų10545%0.44853%0.531SS..Hα-helixtrans-65.8-50.8170.7-173.90000111.4D847 F848 L852 K853 E854D847-S850 WeakPolarHBondContact O-CB 3.44Å; D847-S850 PolarHBondContact O-N 3.41Å; D847-S850 WeakPolarHBondContact OD2-CB 3.44Å; D847-S850 PolarHBondContact OD2-N 3.11Å; F848-S850 VanDerWaalsContact C-N 3.28Å; F848-S850 PolarHBondContact O-N 3.14Å; S850-L852 VanDerWaalsContact C-N 3.34Å; S850-L852 PolarHBondContact O-N 2.65Å; S850-K853 PolarHBondContact O-N 3.16Å; S850-K853 VanDerWaalsContact O-N 3.14Å; S850-E854 PolarHBondContact O-N 3.44Å
851L85.6Confident77.6Confident86 Ų86104.2 Ų104.245%0.4552%0.521SS..Hα-helixtrans-61.1-38.5-177.5-141.278.9000113.2D847 F848 N855D847-L851 PolarHBondContact O-N 2.74Å; D847-L851 VanDerWaalsContact O-N 3.12Å; F848-L851 PolarHBondContact O-N 3.42Å; L851-N855 WeakPolarHBondContact O-CB 3.27Å; L851-N855 PolarHBondContact O-N 3.39Å
852L91.2Very high80.1Confident115 Ų115105.1 Ų105.160%0.60253%0.528SS*.Hα-helixtrans-67.4-41.5176.5-167.178.5000111.5F848 S850 N855 Q856F848-L852 VanDerWaalsContact O-CB 3.31Å; F848-L852 WeakPolarHBondContact O-CB 3.19Å; F848-L852 PolarHBondContact O-N 3.36Å; S850-L852 VanDerWaalsContact C-N 3.34Å; S850-L852 PolarHBondContact O-N 2.65Å; L852-N855 PolarHBondContact O-N 2.96Å; L852-Q856 WeakPolarHBondContact O-CG 3.44Å; L852-Q856 PolarHBondContact O-N 2.87Å
853K90.7Very high82.2Confident151 Ų151104 Ų10466%0.65752%0.52SS*.Hα-helixtrans-68.7-39.1179.2-169.1177.7-177.2-177.20111.8T849 S850 Q856 Q857T849-K853 WeakPolarHBondContact O-CB 3.42Å; T849-K853 PolarHBondContact O-N 2.78Å; S850-K853 PolarHBondContact O-N 3.16Å; S850-K853 VanDerWaalsContact O-N 3.14Å; K853-Q856 PolarHBondContact O-N 3.18Å; K853-Q857 PolarHBondContact O-N 3.39Å
854E90.6Very high84.2Confident102 Ų102103 Ų10348%0.47751%0.511SS..Hα-helixtrans-62.7-44.3171.3-173.5179.6-177.400111.2S850 Q856 Q857 L858S850-E854 PolarHBondContact O-N 3.44Å; E854-Q856 VanDerWaalsContact C-N 3.32Å; E854-Q856 PolarHBondContact O-N 2.71Å; E854-Q857 PolarHBondContact O-N 3.35Å; E854-Q857 VanDerWaalsContact O-N 3.13Å; E854-L858 HydrophobicContact CG-CD1 4.21Å; E854-L858 WeakPolarHBondContact O-CG 3.05Å; E854-L858 PolarHBondContact O-N 2.93Å
855N89.7Confident85.9Confident74 Ų74101.2 Ų101.240%0.39650%0.497SS..Hα-helixtrans-62.5-36.9176.6-163.2-94.6000112.7L851 L852 K859L851-N855 WeakPolarHBondContact O-CB 3.27Å; L851-N855 PolarHBondContact O-N 3.39Å; L852-N855 PolarHBondContact O-N 2.96Å; N855-K859 WeakPolarHBondContact O-CG 3.29Å; N855-K859 PolarHBondContact O-N 3.34Å; N855-K859 VanDerWaalsContact OD1-CE 3.3Å; N855-K859 WeakPolarHBondContact OD1-CE 3.17Å; N855-K859 PolarHBondContact OD1-NZ 3.3Å
856Q92.4Very high87.5Confident122 Ų12299.9 Ų99.957%0.5749%0.493SS*.Hα-helixtrans-65.1-43.5171.7-74.1175.1-20.400111.9L852 K853 E854 K859 Q860L852-Q856 WeakPolarHBondContact O-CG 3.44Å; L852-Q856 PolarHBondContact O-N 2.87Å; K853-Q856 PolarHBondContact O-N 3.18Å; E854-Q856 VanDerWaalsContact C-N 3.32Å; E854-Q856 PolarHBondContact O-N 2.71Å; Q856-K859 PolarHBondContact O-N 3.49Å; Q856-Q860 PolarHBondContact O-N 3.15Å
857Q93.4Very high88.5Confident113 Ų11397.4 Ų97.453%0.52849%0.491SS..Hα-helixtrans-64.9-38.9177.4-170.9175.47.100112.4K853 E854 Q860 R861K853-Q857 PolarHBondContact O-N 3.39Å; E854-Q857 PolarHBondContact O-N 3.35Å; E854-Q857 VanDerWaalsContact O-N 3.13Å; Q857-Q860 PolarHBondContact O-N 3.35Å; Q857-R861 PolarHBondContact O-N 3.21Å
858L93.3Very high89Confident90 Ų90104.2 Ų104.247%0.47151%0.514SS..Hα-helixtrans-65.3-40.8174.5-72.4169.5000112E854 R861 L862E854-L858 HydrophobicContact CG-CD1 4.21Å; E854-L858 WeakPolarHBondContact O-CG 3.05Å; E854-L858 PolarHBondContact O-N 2.93Å; L858-R861 PolarHBondContact O-N 3.4Å; L858-L862 PolarHBondContact O-N 3.23Å
859K92.4Very high89.2Confident124 Ų124102.4 Ų102.454%0.53951%0.508SS..Hα-helixtrans-61.5-41.9172.9-78.5166.9173.1158.40112.1N855 Q856 R861 L862 I863N855-K859 WeakPolarHBondContact O-CG 3.29Å; N855-K859 PolarHBondContact O-N 3.34Å; N855-K859 VanDerWaalsContact OD1-CE 3.3Å; N855-K859 WeakPolarHBondContact OD1-CE 3.17Å; N855-K859 PolarHBondContact OD1-NZ 3.3Å; Q856-K859 PolarHBondContact O-N 3.49Å; K859-R861 VanDerWaalsContact C-N 3.34Å; K859-R861 PolarHBondContact O-N 3.49Å; K859-L862 PolarHBondContact O-N 2.83Å; K859-I863 WeakPolarHBondContact O-CG1 3.34Å; K859-I863 PolarHBondContact O-N 2.92Å; K859-I863 VanDerWaalsContact O-N 3.11Å
860Q91.1Very high89Confident122 Ų122103.8 Ų103.857%0.5751%0.507SS*.Hα-helixtrans-64.6-37.9177-169.359.369.700112.5Q856 Q857 I863 D864Q856-Q860 PolarHBondContact O-N 3.15Å; Q857-Q860 PolarHBondContact O-N 3.35Å; Q860-I863 PolarHBondContact O-N 2.75Å; Q860-D864 PolarHBondContact O-N 3.46Å
861R94.7Very high88.9Confident151 Ų151107.4 Ų107.457%0.5751%0.512SS*.Hα-helixtrans-66.9-36172.8-75.4178.6169.9179.6-4.2113Q857 L858 K859 I863 D864 I865Q857-R861 PolarHBondContact O-N 3.21Å; L858-R861 PolarHBondContact O-N 3.4Å; K859-R861 VanDerWaalsContact C-N 3.34Å; K859-R861 PolarHBondContact O-N 3.49Å; R861-I863 VanDerWaalsContact C-N 3.33Å; R861-D864 PolarHBondContact O-N 3.44Å; R861-I865 WeakPolarHBondContact O-CB 3.32Å; R861-I865 WeakPolarHBondContact O-CD1 3.37Å; R861-I865 VanDerWaalsContact O-CG1 3.26Å; R861-I865 WeakPolarHBondContact O-CG1 3.46Å; R861-I865 PolarHBondContact O-N 3.31Å
862L90.9Very high88.9Confident100 Ų100107 Ų10752%0.52451%0.513SS..Hα-helixtrans-65.7-37.3176.1-175.361.4000111.9L858 K859 I865 N866L858-L862 PolarHBondContact O-N 3.23Å; K859-L862 PolarHBondContact O-N 2.83Å; L862-I865 PolarHBondContact O-N 3.39Å; L862-N866 WeakPolarHBondContact O-CB 3.41Å; L862-N866 PolarHBondContact O-N 2.89Å; L862-N866 PolarHBondContact O-OD1 3.22Å
863I91.1Very high88.4Confident106 Ų106106.9 Ų106.954%0.54451%0.513SS..Hα-helixtrans-63.7-45.8174.2-65.9164.2000110.9K859 Q860 R861 N866 A867K859-I863 WeakPolarHBondContact O-CG1 3.34Å; K859-I863 PolarHBondContact O-N 2.92Å; K859-I863 VanDerWaalsContact O-N 3.11Å; Q860-I863 PolarHBondContact O-N 2.75Å; R861-I863 VanDerWaalsContact C-N 3.33Å; I863-N866 PolarHBondContact O-N 3.38Å; I863-A867 PolarHBondContact O-N 3.02Å
864D87.4Confident88.2Confident87 Ų87105.1 Ų105.147%0.46551%0.507SS..Hα-helixtrans-60.3-44.8175.8-179.873.4000112.4Q860 R861 N866 A867 R868Q860-D864 PolarHBondContact O-N 3.46Å; R861-D864 PolarHBondContact O-N 3.44Å; D864-N866 VanDerWaalsContact C-N 3.33Å; D864-N866 PolarHBondContact O-N 3.23Å; D864-A867 PolarHBondContact O-N 2.72Å; D864-R868 WeakPolarHBondContact O-CG 3.25Å; D864-R868 PolarHBondContact O-N 2.72Å
865I90.3Very high88.1Confident67 Ų67104 Ų10434%0.34450%0.504SS..Hα-helixtrans-64-37176.9-70.9165.9000111.8R861 L862 R868 L869R861-I865 WeakPolarHBondContact O-CB 3.32Å; R861-I865 WeakPolarHBondContact O-CD1 3.37Å; R861-I865 VanDerWaalsContact O-CG1 3.26Å; R861-I865 WeakPolarHBondContact O-CG1 3.46Å; R861-I865 PolarHBondContact O-N 3.31Å; L862-I865 PolarHBondContact O-N 3.39Å; I865-R868 PolarHBondContact O-N 3.03Å; I865-L869 PolarHBondContact O-N 2.71Å; I865-L869 VanDerWaalsContact O-N 3.07Å
866N85.1Confident88Confident85 Ų85106.1 Ų106.146%0.45551%0.512SS..Hα-helixtrans-71.2-39.5177.1-76.811.7000112.1L862 I863 D864 R868 L869 Q870L862-N866 WeakPolarHBondContact O-CB 3.41Å; L862-N866 PolarHBondContact O-N 2.89Å; L862-N866 PolarHBondContact O-OD1 3.22Å; I863-N866 PolarHBondContact O-N 3.38Å; D864-N866 VanDerWaalsContact C-N 3.33Å; D864-N866 PolarHBondContact O-N 3.23Å; N866-R868 VanDerWaalsContact C-N 3.32Å; N866-R868 PolarHBondContact O-N 3.12Å; N866-L869 VanDerWaalsContact O-CB 3.25Å; N866-L869 WeakPolarHBondContact O-CB 3.35Å; N866-L869 PolarHBondContact O-N 2.78Å; N866-L869 VanDerWaalsContact O-N 3.07Å; N866-Q870 PolarHBondContact O-N 2.96Å
867A84.1Confident87.9Confident57 Ų57106.7 Ų106.747%0.47151%0.509SS..Hα-helixtrans-61.8-41.6172.900000111.5I863 D864 L869 Q870I863-A867 PolarHBondContact O-N 3.02Å; D864-A867 PolarHBondContact O-N 2.72Å; A867-L869 PolarHBondContact O-N 3.07Å; A867-Q870 PolarHBondContact O-N 3.27Å
868R85.6Confident87.9Confident174 Ų174105.1 Ų105.166%0.65750%0.501SS*.Hα-helixtrans-70.4-11.2173.9-68179.465.2-171.30.3114.3D864 I865 N866D864-R868 WeakPolarHBondContact O-CG 3.25Å; D864-R868 PolarHBondContact O-N 2.72Å; I865-R868 PolarHBondContact O-N 3.03Å; N866-R868 VanDerWaalsContact C-N 3.32Å; N866-R868 PolarHBondContact O-N 3.12Å
869L83.5Confident87.9Confident56 Ų56105.5 Ų105.529%0.29351%0.507SS..Hα-helixtrans-82.2-36.6175.5-113.9173.6000111.9I865 N866 A867 Y871 V872 R1520I865-L869 PolarHBondContact O-N 2.71Å; I865-L869 VanDerWaalsContact O-N 3.07Å; N866-L869 VanDerWaalsContact O-CB 3.25Å; N866-L869 WeakPolarHBondContact O-CB 3.35Å; N866-L869 PolarHBondContact O-N 2.78Å; N866-L869 VanDerWaalsContact O-N 3.07Å; A867-L869 PolarHBondContact O-N 3.07Å; L869-Y871 PolarHBondContact O-N 3.2Å; L869-V872 HydrophobicContact CD2-CG2 4.27Å; L869-V872 VanDerWaalsContact O-CB 3.25Å; L869-V872 WeakPolarHBondContact O-CB 3.45Å; L869-V872 WeakPolarHBondContact O-CG2 3.34Å; L869-V872 PolarHBondContact O-N 2.69Å; L869-R1520 VanDerWaalsContact CG-NH2 3.27Å
870Q81.4Confident87.9Confident133 Ų133104 Ų10462%0.62150%0.502SS*.Hα-helixtrans-62-26.3-179.9-62.4-179.8-74.900112.4N866 A867 V872 D873N866-Q870 PolarHBondContact O-N 2.96Å; A867-Q870 PolarHBondContact O-N 3.27Å; Q870-V872 PolarHBondContact O-N 3.32Å; Q870-D873 PolarHBondContact O-N 3.5Å
871Y83.2Confident88Confident140 Ų140102.3 Ų102.355%0.54949%0.494SS..Hα-helixtrans-66.2-18171.7-169.6-114.5000113.8L869 E874 L875L869-Y871 PolarHBondContact O-N 3.2Å; Y871-E874 WeakPolarHBondContact CD2-OE2 3.12Å; Y871-L875 HydrophobicContact CD1-CD1 3.8Å; Y871-L875 HydrophobicContact CD1-CG 4.21Å; Y871-L875 HydrophobicContact CE1-CD1 3.7Å; Y871-L875 HydrophobicContact CE1-CD2 4.22Å; Y871-L875 HydrophobicContact CE1-CG 3.96Å; Y871-L875 VanDerWaalsContact O-CG 3.27Å; Y871-L875 WeakPolarHBondContact O-CG 3.37Å; Y871-L875 PolarHBondContact O-N 2.77Å; Y871-L875 VanDerWaalsContact O-N 3.11Å
872V85Confident88Confident77 Ų77100.3 Ų100.347%0.46749%0.494SS..Hα-helixtrans-74-38176-176.90000111L869 Q870 E874 L875 E876L869-V872 HydrophobicContact CD2-CG2 4.27Å; L869-V872 VanDerWaalsContact O-CB 3.25Å; L869-V872 WeakPolarHBondContact O-CB 3.45Å; L869-V872 WeakPolarHBondContact O-CG2 3.34Å; L869-V872 PolarHBondContact O-N 2.69Å; Q870-V872 PolarHBondContact O-N 3.32Å; V872-E874 VanDerWaalsContact C-N 3.34Å; V872-L875 PolarHBondContact O-N 2.97Å; V872-E876 PolarHBondContact O-N 2.8Å
873D81.2Confident88.2Confident114 Ų11498.4 Ų98.461%0.6149%0.489SS*.Hα-helixtrans-65.5-40.4177.2-53.5-34.8000110.5Q870 E876 W877Q870-D873 PolarHBondContact O-N 3.5Å; D873-E876 PolarHBondContact O-N 2.65Å; D873-W877 PolarHBondContact O-N 3.04Å
874E85.5Confident88.3Confident113 Ų11398.8 Ų98.853%0.52849%0.489SS..Hα-helixtrans-61.7-41.9171.6-65.7-175.4163.600112Y871 V872 W877 H878Y871-E874 WeakPolarHBondContact CD2-OE2 3.12Å; V872-E874 VanDerWaalsContact C-N 3.34Å; E874-W877 PolarHBondContact O-N 2.76Å; E874-H878 PolarHBondContact O-N 3.28Å; E874-H878 VanDerWaalsContact O-N 3.14Å; E874-H878 PolarHBondContact O-ND1 3.09Å
875L87.9Confident88.7Confident80 Ų8099.2 Ų99.242%0.41949%0.49SS..Hα-helixtrans-65.4-38.6177.6-77.2169.9000112.6Y871 V872 H878 V879Y871-L875 HydrophobicContact CD1-CD1 3.8Å; Y871-L875 HydrophobicContact CD1-CG 4.21Å; Y871-L875 HydrophobicContact CE1-CD1 3.7Å; Y871-L875 HydrophobicContact CE1-CD2 4.22Å; Y871-L875 HydrophobicContact CE1-CG 3.96Å; Y871-L875 VanDerWaalsContact O-CG 3.27Å; Y871-L875 WeakPolarHBondContact O-CG 3.37Å; Y871-L875 PolarHBondContact O-N 2.77Å; Y871-L875 VanDerWaalsContact O-N 3.11Å; V872-L875 PolarHBondContact O-N 2.97Å; L875-H878 PolarHBondContact O-N 3.36Å; L875-V879 WeakPolarHBondContact O-CG2 3.48Å; L875-V879 PolarHBondContact O-N 2.81Å; L875-V879 VanDerWaalsContact O-N 3.1Å
876E88.5Confident88.9Confident118 Ų11899.4 Ų99.455%0.55149%0.494SS*.Hα-helixtrans-62.6-44.3175.8-170179.4152.300111V872 D873 H878 V879 Q880V872-E876 PolarHBondContact O-N 2.8Å; D873-E876 PolarHBondContact O-N 2.65Å; E876-H878 VanDerWaalsContact C-N 3.34Å; E876-H878 PolarHBondContact O-N 3.16Å; E876-V879 PolarHBondContact O-N 2.93Å; E876-V879 VanDerWaalsContact O-N 3.14Å; E876-Q880 WeakPolarHBondContact O-CG 3.23Å; E876-Q880 PolarHBondContact O-N 3.29Å; E876-Q880 PolarHBondContact OE1-NE2 3.47Å
877W89.9Confident89.4Confident134 Ų134100.1 Ų100.151%0.50850%0.495SS..Hα-helixtrans-58.3-44.3176.6-17985.6000112.2D873 E874 V879 Q880 Q881D873-W877 PolarHBondContact O-N 3.04Å; E874-W877 PolarHBondContact O-N 2.76Å; W877-V879 VanDerWaalsContact C-N 3.32Å; W877-V879 PolarHBondContact O-N 3.07Å; W877-Q880 PolarHBondContact O-N 2.97Å; W877-Q881 HydrophobicContact CD2-CG 3.96Å; W877-Q881 HydrophobicContact CE3-CG 4.1Å; W877-Q881 HydrophobicContact CH2-CG 3.8Å; W877-Q881 HydrophobicContact CZ2-CG 3.63Å; W877-Q881 HydrophobicContact CZ3-CG 4.03Å; W877-Q881 WeakPolarHBondContact O-CG 3.37Å; W877-Q881 PolarHBondContact O-N 3.39Å
878H94.4Very high89.8Confident79 Ų79100.4 Ų100.437%0.36649%0.493SS..Hα-helixtrans-61.7-37.9176.1-75.389.8000112.7E874 L875 E876 Q881 L882E874-H878 PolarHBondContact O-N 3.28Å; E874-H878 VanDerWaalsContact O-N 3.14Å; E874-H878 PolarHBondContact O-ND1 3.09Å; L875-H878 PolarHBondContact O-N 3.36Å; E876-H878 VanDerWaalsContact C-N 3.34Å; E876-H878 PolarHBondContact O-N 3.16Å; H878-Q881 PolarHBondContact O-N 3.28Å; H878-L882 WeakPolarHBondContact O-CB 3.19Å; H878-L882 PolarHBondContact O-N 3.43Å
879V93.2Very high90.3Very high99 Ų9997.4 Ų97.460%0.649%0.488SS*.Hα-helixtrans-66-39.7175.1171.30000111.4L875 E876 W877 L882 S883L875-V879 WeakPolarHBondContact O-CG2 3.48Å; L875-V879 PolarHBondContact O-N 2.81Å; L875-V879 VanDerWaalsContact O-N 3.1Å; E876-V879 PolarHBondContact O-N 2.93Å; E876-V879 VanDerWaalsContact O-N 3.14Å; W877-V879 VanDerWaalsContact C-N 3.32Å; W877-V879 PolarHBondContact O-N 3.07Å; V879-L882 PolarHBondContact O-N 3.07Å; V879-S883 PolarHBondContact O-N 3.49Å
880Q91.9Very high90.9Very high92 Ų9299.7 Ų99.743%0.4350%0.499SS..Hα-helixtrans-64-44.7175.4-66.3177.414.500111.7E876 W877 L882 S883 H884E876-Q880 WeakPolarHBondContact O-CG 3.23Å; E876-Q880 PolarHBondContact O-N 3.29Å; E876-Q880 PolarHBondContact OE1-NE2 3.47Å; W877-Q880 PolarHBondContact O-N 2.97Å; Q880-L882 PolarHBondContact O-N 3.36Å; Q880-S883 WeakPolarHBondContact O-CB 3.34Å; Q880-S883 PolarHBondContact O-N 3.41Å; Q880-H884 PolarHBondContact O-N 2.76Å
881Q93.2Very high91.5Very high87 Ų8797.8 Ų97.841%0.40749%0.493SS..Hα-helixtrans-62.1-43.2175.5-63.2-48.9-54.200112.3W877 H878 S883 H884 L885W877-Q881 HydrophobicContact CD2-CG 3.96Å; W877-Q881 HydrophobicContact CE3-CG 4.1Å; W877-Q881 HydrophobicContact CH2-CG 3.8Å; W877-Q881 HydrophobicContact CZ2-CG 3.63Å; W877-Q881 HydrophobicContact CZ3-CG 4.03Å; W877-Q881 WeakPolarHBondContact O-CG 3.37Å; W877-Q881 PolarHBondContact O-N 3.39Å; H878-Q881 PolarHBondContact O-N 3.28Å; Q881-S883 VanDerWaalsContact C-N 3.29Å; Q881-S883 PolarHBondContact O-N 3Å; Q881-H884 PolarHBondContact O-N 2.85Å; Q881-L885 PolarHBondContact O-N 3.47Å
882L94.7Very high92Very high108 Ų10894.5 Ų94.557%0.56549%0.491SS*.Hα-helixtrans-62-37.3176.5-177.161.8000111.8H878 V879 Q880 L885 V886H878-L882 WeakPolarHBondContact O-CB 3.19Å; H878-L882 PolarHBondContact O-N 3.43Å; V879-L882 PolarHBondContact O-N 3.07Å; Q880-L882 PolarHBondContact O-N 3.36Å; L882-L885 PolarHBondContact O-N 3.31Å; L882-V886 WeakPolarHBondContact O-CG2 3.13Å; L882-V886 PolarHBondContact O-N 2.97Å
883S95Very high92.5Very high61 Ų6197 Ų9743%0.42750%0.497SS..Hα-helixtrans-62.2-46.9176.6-162.30000111.7V879 Q880 Q881 L885 V886 E887V879-S883 PolarHBondContact O-N 3.49Å; Q880-S883 WeakPolarHBondContact O-CB 3.34Å; Q880-S883 PolarHBondContact O-N 3.41Å; Q881-S883 VanDerWaalsContact C-N 3.29Å; Q881-S883 PolarHBondContact O-N 3Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.13Å; S883-V886 PolarHBondContact O-N 2.91Å; S883-E887 WeakPolarHBondContact O-CG 3.48Å; S883-E887 PolarHBondContact O-N 3.39Å
884H93.1Very high93Very high114 Ų11497.3 Ų97.353%0.52850%0.495SS..Hα-helixtrans-66.5-33.8178.1-69.8-25.9000112.9Q880 Q881 E887 S888Q880-H884 PolarHBondContact O-N 2.76Å; Q881-H884 PolarHBondContact O-N 2.85Å; H884-E887 IonicContact CE1-OE2 2.79Å; H884-E887 IonicContact CG-OE2 2.68Å; H884-E887 IonicContact ND1-OE2 2.9Å; H884-E887 PolarHBondContact ND1-OE2 3.41Å; H884-E887 PolarHBondContact O-N 3.38Å; H884-S888 WeakPolarHBondContact O-CB 3.35Å; H884-S888 PolarHBondContact O-N 2.8Å
885L95.4Very high93.4Very high96 Ų96100.4 Ų100.450%0.50350%0.502SS..Hα-helixtrans-60.9-48.3172-179.161.5000110.9Q881 L882 S883 S888 M889Q881-L885 PolarHBondContact O-N 3.47Å; L882-L885 PolarHBondContact O-N 3.31Å; S883-L885 VanDerWaalsContact C-N 3.33Å; S883-L885 PolarHBondContact O-N 3.13Å; L885-S888 PolarHBondContact O-N 2.98Å; L885-S888 PolarHBondContact O-OG 3.41Å; L885-M889 HydrophobicContact CG-SD 4.38Å; L885-M889 WeakPolarHBondContact O-CG 3.46Å; L885-M889 PolarHBondContact O-N 3.32Å
886V95.7Very high93.6Very high71 Ų71101.2 Ų101.243%0.4350%0.503SS..Hα-helixtrans-62.7-43.1178171.10000111.7L882 S883 S888 M889 I890L882-V886 WeakPolarHBondContact O-CG2 3.13Å; L882-V886 PolarHBondContact O-N 2.97Å; S883-V886 PolarHBondContact O-N 2.91Å; V886-S888 VanDerWaalsContact C-N 3.31Å; V886-S888 PolarHBondContact O-N 3.36Å; V886-M889 PolarHBondContact O-N 2.89Å; V886-I890 HydrophobicContact CG1-CD1 3.86Å; V886-I890 WeakPolarHBondContact O-CG1 3.35Å; V886-I890 PolarHBondContact O-N 3.49Å
887E94.6Very high93.6Very high100 Ų10098.6 Ų98.647%0.46750%0.497SS..Hα-helixtrans-58.4-43173.7-71.1174.914000111.7S883 H884 M889 I890 L891S883-E887 WeakPolarHBondContact O-CG 3.48Å; S883-E887 PolarHBondContact O-N 3.39Å; H884-E887 IonicContact CE1-OE2 2.79Å; H884-E887 IonicContact CG-OE2 2.68Å; H884-E887 IonicContact ND1-OE2 2.9Å; H884-E887 PolarHBondContact ND1-OE2 3.41Å; H884-E887 PolarHBondContact O-N 3.38Å; E887-M889 PolarHBondContact O-N 3.21Å; E887-I890 PolarHBondContact O-N 3.17Å; E887-L891 WeakPolarHBondContact O-CB 2.92Å; E887-L891 WeakPolarHBondContact O-CG 3.5Å; E887-L891 PolarHBondContact O-N 3.03Å
888S94Very high93.5Very high62 Ų6297.5 Ų97.543%0.43450%0.498SS..Hα-helixtrans-65.3-36.4177.881.10000113H884 L885 V886 L891 S892H884-S888 WeakPolarHBondContact O-CB 3.35Å; H884-S888 PolarHBondContact O-N 2.8Å; L885-S888 PolarHBondContact O-N 2.98Å; L885-S888 PolarHBondContact O-OG 3.41Å; V886-S888 VanDerWaalsContact C-N 3.31Å; V886-S888 PolarHBondContact O-N 3.36Å; S888-L891 PolarHBondContact O-N 2.75Å; S888-S892 PolarHBondContact O-N 3.15Å; S888-S892 PolarHBondContact O-OG 3.07Å
889M95.4Very high93.1Very high112 Ų11298.1 Ų98.155%0.55250%0.503SS*.Hα-helixtrans-69.7-39175.9-72176.362.300112.4L885 V886 E887 L891 S892 H893L885-M889 HydrophobicContact CG-SD 4.38Å; L885-M889 WeakPolarHBondContact O-CG 3.46Å; L885-M889 PolarHBondContact O-N 3.32Å; V886-M889 PolarHBondContact O-N 2.89Å; E887-M889 PolarHBondContact O-N 3.21Å; M889-L891 VanDerWaalsContact C-N 3.35Å; M889-S892 PolarHBondContact O-N 3.06Å; M889-S892 PolarHBondContact O-OG 2.98Å; M889-S892 VanDerWaalsContact O-OG 3.05Å; M889-H893 VanDerWaalsContact O-CB 3.32Å; M889-H893 WeakPolarHBondContact O-CB 3.08Å; M889-H893 PolarHBondContact O-N 3.32Å
890I96.3Very high92.6Very high103 Ų10396.4 Ų96.453%0.52849%0.491SS..Hα-helixtrans-64.2-43.3174.8-67.9165.8000110V886 E887 Q894V886-I890 HydrophobicContact CG1-CD1 3.86Å; V886-I890 WeakPolarHBondContact O-CG1 3.35Å; V886-I890 PolarHBondContact O-N 3.49Å; E887-I890 PolarHBondContact O-N 3.17Å; I890-Q894 WeakPolarHBondContact O-CB 3.19Å; I890-Q894 PolarHBondContact O-N 2.95Å
891L93.5Very high91.9Very high94 Ų9499.5 Ų99.549%0.49250%0.5SS..Hα-helixtrans-68.5-33.5178.5-71.8169.9000113.5E887 S888 M889 R895E887-L891 WeakPolarHBondContact O-CB 2.92Å; E887-L891 WeakPolarHBondContact O-CG 3.5Å; E887-L891 PolarHBondContact O-N 3.03Å; S888-L891 PolarHBondContact O-N 2.75Å; M889-L891 VanDerWaalsContact C-N 3.35Å; L891-R895 VanDerWaalsContact O-CG 3.31Å; L891-R895 WeakPolarHBondContact O-CG 3.5Å; L891-R895 PolarHBondContact O-N 3.38Å
892S94.1Very high91.2Very high71 Ų7199.7 Ų99.750%0.49750%0.501SS..Hα-helixtrans-73.4-42.8174.666.10000111.7S888 M889 R895 Q896S888-S892 PolarHBondContact O-N 3.15Å; S888-S892 PolarHBondContact O-OG 3.07Å; M889-S892 PolarHBondContact O-N 3.06Å; M889-S892 PolarHBondContact O-OG 2.98Å; M889-S892 VanDerWaalsContact O-OG 3.05Å; S892-R895 PolarHBondContact O-N 3.47Å; S892-Q896 PolarHBondContact O-N 2.76Å
893H94.4Very high90.2Very high129 Ų129100.1 Ų100.160%0.59750%0.503SS*.Hα-helixtrans-61.7-43.8175.1-175.465.1000112M889 R895 Q896 C897M889-H893 VanDerWaalsContact O-CB 3.32Å; M889-H893 WeakPolarHBondContact O-CB 3.08Å; M889-H893 PolarHBondContact O-N 3.32Å; H893-R895 VanDerWaalsContact C-N 3.3Å; H893-R895 PolarHBondContact O-N 3.29Å; H893-Q896 PolarHBondContact O-N 2.76Å; H893-Q896 VanDerWaalsContact O-N 3.12Å; H893-C897 PolarHBondContact O-N 2.99Å; H893-C897 PolarHBondContact O-SG 3.19Å; H893-C897 VanDerWaalsContact O-SG 3.4Å
894Q93.5Very high88.9Confident120 Ų120104.2 Ų104.256%0.56152%0.515SS*.Hα-helixtrans-56.9-42.4174.9-178.3-179.1-13.600112.1I890 E898I890-Q894 WeakPolarHBondContact O-CB 3.19Å; I890-Q894 PolarHBondContact O-N 2.95Å; Q894-E898 PolarHBondContact O-N 3.05Å; Q894-E898 VanDerWaalsContact O-N 3.12Å
895R93.4Very high87.6Confident178 Ų178103.8 Ų103.867%0.67252%0.516SS*.Hα-helixtrans-67.1-36.8176.7-72.8172.9-177.4-170.92.9112.5L891 S892 H893 E898 L899L891-R895 VanDerWaalsContact O-CG 3.31Å; L891-R895 WeakPolarHBondContact O-CG 3.5Å; L891-R895 PolarHBondContact O-N 3.38Å; S892-R895 PolarHBondContact O-N 3.47Å; H893-R895 VanDerWaalsContact C-N 3.3Å; H893-R895 PolarHBondContact O-N 3.29Å; R895-E898 PolarHBondContact O-N 3.35Å; R895-L899 WeakPolarHBondContact O-CG 3.2Å; R895-L899 PolarHBondContact O-N 3.1Å
896Q90.7Very high85.6Confident97 Ų97108.3 Ų108.345%0.45353%0.527SS..Hα-helixtrans-63.1-49.1175.7-172.45845.600110.7S892 H893 E898 L899 D900S892-Q896 PolarHBondContact O-N 2.76Å; H893-Q896 PolarHBondContact O-N 2.76Å; H893-Q896 VanDerWaalsContact O-N 3.12Å; Q896-E898 PolarHBondContact O-N 2.69Å; Q896-L899 WeakPolarHBondContact O-CB 3.46Å; Q896-L899 PolarHBondContact O-N 2.99Å; Q896-D900 PolarHBondContact NE2-OD1 2.79Å; Q896-D900 PolarHBondContact O-N 3.37Å
897C89.5Confident83.2Confident63 Ų63108.8 Ų108.843%0.42653%0.534SS..Hα-helixtrans-59.7-33.5176.6-610000113.2H893 Y901H893-C897 PolarHBondContact O-N 2.99Å; H893-C897 PolarHBondContact O-SG 3.19Å; H893-C897 VanDerWaalsContact O-SG 3.4Å; C897-Y901 WeakPolarHBondContact O-CB 3.42Å; C897-Y901 PolarHBondContact O-N 2.78Å; C897-Y901 VanDerWaalsContact O-N 3.08Å
898E87.6Confident81.1Confident112 Ų112109.3 Ų109.352%0.52355%0.546SS..Hα-helixtrans-69.7-36.8174.8-169.517417700112.4Q894 R895 Q896 Q902Q894-E898 PolarHBondContact O-N 3.05Å; Q894-E898 VanDerWaalsContact O-N 3.12Å; R895-E898 PolarHBondContact O-N 3.35Å; Q896-E898 PolarHBondContact O-N 2.69Å; E898-Q902 WeakPolarHBondContact O-CG 3.43Å; E898-Q902 PolarHBondContact O-N 2.81Å
899L85.6Confident78.8Confident91 Ų91114.9 Ų114.948%0.47657%0.57SS.*Hα-helixtrans-68-44.9173.2-70.9169.5000111.9R895 Q896 Y901 Q902 L903R895-L899 WeakPolarHBondContact O-CG 3.2Å; R895-L899 PolarHBondContact O-N 3.1Å; Q896-L899 WeakPolarHBondContact O-CB 3.46Å; Q896-L899 PolarHBondContact O-N 2.99Å; L899-Y901 VanDerWaalsContact C-N 3.29Å; L899-Y901 PolarHBondContact O-N 2.76Å; L899-Q902 WeakPolarHBondContact O-CB 3.35Å; L899-Q902 PolarHBondContact O-N 2.7Å; L899-Q902 VanDerWaalsContact O-N 3.1Å; L899-L903 WeakPolarHBondContact O-CG 3.25Å; L899-L903 PolarHBondContact O-N 2.78Å
900D83.8Confident76.4Confident64 Ų64114.9 Ų114.934%0.34258%0.581SS.*Hα-helixtrans-62-39.3179-59.3-30.3000111.1Q896 L903 Q904Q896-D900 PolarHBondContact NE2-OD1 2.79Å; Q896-D900 PolarHBondContact O-N 3.37Å; D900-L903 PolarHBondContact O-N 3.31Å; D900-Q904 WeakPolarHBondContact O-CG 3.42Å; D900-Q904 PolarHBondContact O-N 2.76Å
901Y76.5Confident73.7Confident157 Ų157114 Ų11462%0.61659%0.589SS**Hα-helixtrans-63.5-39.3173.9-172.9-108.3000112.5C897 L899 I905C897-Y901 WeakPolarHBondContact O-CB 3.42Å; C897-Y901 PolarHBondContact O-N 2.78Å; C897-Y901 VanDerWaalsContact O-N 3.08Å; L899-Y901 VanDerWaalsContact C-N 3.29Å; L899-Y901 PolarHBondContact O-N 2.76Å; Y901-I905 HydrophobicContact CD1-CD1 3.96Å; Y901-I905 HydrophobicContact CE1-CD1 3.63Å; Y901-I905 WeakPolarHBondContact O-CG1 3.33Å; Y901-I905 PolarHBondContact O-N 3.45Å
902Q78.4Confident71.1Confident91 Ų91115.2 Ų115.243%0.42560%0.603SS.*Hα-helixtrans-66.5-40.8174.1-70.8175.836.800111.9E898 L899 Q904 I905 Y906E898-Q902 WeakPolarHBondContact O-CG 3.43Å; E898-Q902 PolarHBondContact O-N 2.81Å; L899-Q902 WeakPolarHBondContact O-CB 3.35Å; L899-Q902 PolarHBondContact O-N 2.7Å; L899-Q902 VanDerWaalsContact O-N 3.1Å; Q902-Q904 VanDerWaalsContact C-N 3.35Å; Q902-Q904 PolarHBondContact O-N 2.87Å; Q902-I905 PolarHBondContact O-N 2.74Å; Q902-Y906 WeakPolarHBondContact O-CD2 3.27Å; Q902-Y906 PolarHBondContact O-N 3.24Å
903L74.8Confident68.5Low116 Ų116118.8 Ų118.861%0.60762%0.621SS**Hα-helixtrans-64-36.5178-71.6170.6000112.8L899 D900 I905 Y906 S907L899-L903 WeakPolarHBondContact O-CG 3.25Å; L899-L903 PolarHBondContact O-N 2.78Å; D900-L903 PolarHBondContact O-N 3.31Å; L903-I905 VanDerWaalsContact C-N 3.35Å; L903-Y906 PolarHBondContact O-N 2.82Å; L903-S907 PolarHBondContact O-N 3.04Å; L903-S907 PolarHBondContact O-OG 2.8Å
904Q66.3Low65.5Low148 Ų148118 Ų11869%0.69263%0.629SS**Hα-helixtrans-64.7-36.6173.5-71.7-176.518.100112.6D900 Q902 Y906D900-Q904 WeakPolarHBondContact O-CG 3.42Å; D900-Q904 PolarHBondContact O-N 2.76Å; Q902-Q904 VanDerWaalsContact C-N 3.35Å; Q902-Q904 PolarHBondContact O-N 2.87Å; Q904-Y906 VanDerWaalsContact C-N 3.34Å; Q904-Y906 PolarHBondContact O-N 3.28Å
905I66.6Low62.7Low104 Ų104115.6 Ų115.653%0.53364%0.636SS.*Hα-helixtrans-67.7-33.4178.3-69.3167.8000112Y901 Q902 L903Y901-I905 HydrophobicContact CD1-CD1 3.96Å; Y901-I905 HydrophobicContact CE1-CD1 3.63Å; Y901-I905 WeakPolarHBondContact O-CG1 3.33Å; Y901-I905 PolarHBondContact O-N 3.45Å; Q902-I905 PolarHBondContact O-N 2.74Å; L903-I905 VanDerWaalsContact C-N 3.35Å
906Y54.1Low59.8Low192 Ų192113.9 Ų113.975%0.75365%0.645SS**THydrogen-bonded Turntrans-93.64.9-176.1-75.7-68.6000115.3Q902 L903 Q904 P908Q902-Y906 WeakPolarHBondContact O-CD2 3.27Å; Q902-Y906 PolarHBondContact O-N 3.24Å; L903-Y906 PolarHBondContact O-N 2.82Å; Q904-Y906 VanDerWaalsContact C-N 3.34Å; Q904-Y906 PolarHBondContact O-N 3.28Å; Y906-P908 VanDerWaalsContact O-CD 3.25Å; Y906-P908 WeakPolarHBondContact O-CD 3.35Å
907S43.7Very low57Low81 Ų81113.1 Ų113.157%0.56666%0.663SS**SBendtrans-93.1104.5179.5-66.40000111.9L903 L909L903-S907 PolarHBondContact O-N 3.04Å; L903-S907 PolarHBondContact O-OG 2.8Å; S907-L909 PolarHBondContact O-N 3.46Å
908P50.9Low54.1Low110 Ų110114 Ų11471%0.71468%0.682SS**  trans-70.9120.9-176.328.2-34.7000112.3Y906 S910Y906-P908 VanDerWaalsContact O-CD 3.25Å; Y906-P908 WeakPolarHBondContact O-CD 3.35Å; P908-S910 PolarHBondContact O-N 2.85Å; P908-S910 PolarHBondContact O-OG 3.31Å
909L46.9Very low51.5Low180 Ų180111.5 Ų111.594%0.94269%0.687SS**  trans-53.596.6179-73164.6000112.6S907 A911S907-L909 PolarHBondContact O-N 3.46Å; L909-A911 PolarHBondContact O-N 2.95Å
910S44.7Very low49Very low112 Ų112113.8 Ų113.878%0.78370%0.7SS**  trans-86.791.2179.9-65.10000110.3P908P908-S910 PolarHBondContact O-N 2.85Å; P908-S910 PolarHBondContact O-OG 3.31Å
911A38.1Very low46.4Very low85 Ų85120.5 Ų120.570%0.70273%0.726SS**  trans-65.2136.3-18000000112L909L909-A911 PolarHBondContact O-N 2.95Å
912P40.1Very low44.3Very low119 Ų119120.5 Ų120.577%0.77373%0.732SS**  trans-73.3130.8-172.728.3-34.9000112.9C914P912-C914 PolarHBondContact O-N 2.86Å
913V39.3Very low41.8Very low145 Ų145127 Ų12788%0.87975%0.752SS**  trans-86.690.6179.7-177.70000110.6
914C30.2Very low39.7Very low114 Ų114132.1 Ų132.177%0.7777%0.77SS**  trans-101.585.5170.2-65.80000111.3P912 V916P912-C914 PolarHBondContact O-N 2.86Å; C914-V916 WeakPolarHBondContact O-CG2 3.29Å
915G34.9Very low37.8Very low68 Ų68133.9 Ų133.970%0.70178%0.775SS**  trans-107.2117.2156.900000108.1
916V33.8Very low36.1Very low143 Ų143136.3 Ų136.387%0.86779%0.788SS**  cis75.2116.543.6-1750000112.8C914C914-V916 WeakPolarHBondContact O-CG2 3.29Å
917G30.7Very low35.2Very low80 Ų80132.5 Ų132.583%0.82579%0.787SS**  trans88.2123.1177.400000112.6
918G28.9Very low34.9Very low81 Ų81134.2 Ų134.284%0.83580%0.796SS**  cis121.198.89.700000109.2
919G32.7Very low33.8Very low61 Ų61137 Ų13763%0.62980%0.804SS**  trans-16261.2-166.100000113F921G919-F921 VanDerWaalsContact C-N 3.32Å; G919-F921 PolarHBondContact O-N 3.11Å
920D33.2Very low32.8Very low139 Ų139134 Ų13474%0.74380%0.799SS**  trans-6876.9-176.3-66.4-74.7000114.1H922D920-H922 VanDerWaalsContact C-N 3.32Å; D920-H922 PolarHBondContact O-N 3.45Å
921F30.3Very low32.1Very low205 Ų205133.9 Ų133.990%0.89980%0.798SS**  trans-79.282.5165-88.4-81.3000111G919G919-F921 VanDerWaalsContact C-N 3.32Å; G919-F921 PolarHBondContact O-N 3.11Å
922H30.9Very low31.6Very low156 Ų156134.5 Ų134.572%0.72280%0.797SS**  trans-58.6144.9173.9-76.8-52.5000113.6D920D920-H922 VanDerWaalsContact C-N 3.32Å; D920-H922 PolarHBondContact O-N 3.45Å
923R26.1Very low31Very low229 Ų229133.9 Ų133.986%0.86480%0.795SS**  trans58.7106.2161.3-62174.8179.1-170.60.8116.7
924F30.6Very low30.2Very low222 Ų222132.6 Ų132.697%0.97479%0.793SS**  -145.1158.3112-100-72.6000110.1
925K27.6Very low30.1Very low185 Ų185133.1 Ų133.180%0.80480%0.798SS**  trans-108131.3-176.2-77.9-175.3175.2-175.70111.2
926I29.9Very low29.6Very low156 Ų156135.3 Ų135.380%0.880%0.803SS**  trans71.6149144-65.8171.2000115.3
927P35.4Very low29.9Very low112 Ų112134.1 Ų134.173%0.72780%0.798SS**  trans-110.9-161.1-158.541.5-28.8000112.9
928P37.9Very low29.8Very low116 Ų116140.5 Ų140.575%0.75380%0.803SS**  -105.7150.1-78.736.2-25.9000111.7
929N27.7Very low29.8Very low168 Ų168140 Ų14090%0.89880%0.798SS**  trans-77.1137.7177.6-83.4-18.6000112.8
930S25.1Very low29.6Very low119 Ų119145.3 Ų145.383%0.83281%0.811SS**  trans-90.6119.3172.5550000112.3
931S31.5Very low29.5Very low108 Ų108145.7 Ų145.776%0.75581%0.813SS**  trans-169.4151.7164.4430000109.6
932S26.6Very low29.5Very low99 Ų99143.3 Ų143.369%0.69281%0.81SS**  cis-174.4-178.9-20.853.40000107.5
933S26.8Very low29.5Very low105 Ų105143 Ų14373%0.73481%0.813SS**  trans56.795154.348.50000118.1
934S22.9Very low29.8Very low118 Ų118140.8 Ų140.883%0.82581%0.813SS**  trans-51.7152.5154.846.90000114.7
935S28.6Very low29.5Very low125 Ų125136.3 Ų136.387%0.87481%0.808SS**  -165.6142126.831.40000110.2
936S25.5Very low29.5Very low115 Ų115132.4 Ų132.480%0.80480%0.804SS**  trans-121.1-173.4-175.468.90000109.8
937P38.5Very low29.4Very low117 Ų117131.7 Ų131.776%0.7681%0.807SS**  -106.1165.5-117.28.614.7000113.9G939P937-G939 PolarHBondContact O-N 3.48Å
938F30Very low29.1Very low214 Ų214133 Ų13394%0.93980%0.803SS**PPolyproline II helixtrans-64.7133160.8-98.6-93.5000110.3
939G28.1Very low28.9Very low71 Ų71136.3 Ų136.373%0.73281%0.808SS**PPolyproline II helixtrans-74.7160.8-17000000115.2P937P937-G939 PolarHBondContact O-N 3.48Å
940L29.2Very low28.8Very low172 Ų172135.1 Ų135.190%0.90180%0.795SS**PPolyproline II helixtrans-68.4144.1172.4-61.2165.4000110.9
941N29.6Very low29Very low148 Ų148136.8 Ų136.879%0.79179%0.79SS**  trans-162.8104160.9-104.3-31.3000110.3
942N30.4Very low29Very low154 Ų154139.7 Ų139.782%0.82480%0.797SS**  trans-176.391.9149.3-104.3-19.6000109.7Q944N942-Q944 PolarHBondContact O-N 3.23Å
943D32.6Very low29Very low149 Ų149142.8 Ų142.880%0.79780%0.802SS**  trans-70.2118.7165.5-64.7-67.7000109.9
944Q32.6Very low29.5Very low183 Ų183143 Ų14386%0.85580%0.801SS**  trans-12985.6161.6-75-162.2-1.400110.4N942 S946N942-Q944 PolarHBondContact O-N 3.23Å; Q944-S946 PolarHBondContact O-N 3.38Å
945C22.7Very low29.7Very low129 Ų129141.8 Ų141.887%0.87280%0.798SS**  trans-66.5119.4164.7-62.70000110.3
946S29Very low29.8Very low102 Ų102142.1 Ų142.171%0.71379%0.79SS**  trans-161.294.8146.1-164.90000113Q944 H948Q944-S946 PolarHBondContact O-N 3.38Å; S946-H948 VanDerWaalsContact C-N 3.34Å; S946-H948 PolarHBondContact O-N 2.95Å
947T26.3Very low30.1Very low142 Ų142142.9 Ų142.987%0.87179%0.792SS**  trans-82.979.1160.9-56.80000109.1
948H29.2Very low29.6Very low140 Ų140139.9 Ų139.965%0.64878%0.783SS**  trans-16699.8164.4-94.7-64.7000112.1S946S946-H948 VanDerWaalsContact C-N 3.34Å; S946-H948 PolarHBondContact O-N 2.95Å
949H33.9Very low29.6Very low185 Ų185135.1 Ų135.186%0.85678%0.776SS**  -163127.2119.9-10972.4000114.1
950F25.8Very low29.5Very low142 Ų142139.5 Ų139.562%0.62378%0.782SS**  trans-47.5158.3178.3-76.8-86.7000119.6
951H30.2Very low29.7Very low155 Ų155136.9 Ų136.972%0.71878%0.775SS**  trans61.695.1147.4-61.7-46.5000119.5
952N31.5Very low29.7Very low169 Ų169136.1 Ų136.190%0.90478%0.775SS**  -156.894.9107.9-99-23.9000112.2
953M26Very low29.5Very low164 Ų164135.1 Ų135.181%0.80877%0.768SS**  trans-85.9160.2145.9-90-76.1-170.900107.5
954P37.4Very low29.5Very low109 Ų109134.2 Ų134.271%0.70877%0.77SS**  cis-124.9160.816.440.8-27.9000115.5
955A27Very low29.5Very low92 Ų92130.2 Ų130.276%0.7676%0.758SS**  trans-73.4128.6145.900000108.7
956N29.6Very low29.6Very low133 Ų133130.1 Ų130.171%0.71175%0.749SS**  trans-137.3112.9155.7-171.7-4.8000108.5G958N956-G958 PolarHBondContact O-N 3.47Å
957P31.4Very low29.5Very low130 Ų130131.3 Ų131.384%0.84475%0.745SS**  trans-74.559.3175.232.9-35.2000111.4S959P957-S959 PolarHBondContact O-N 3.39Å
958G28.5Very low29.8Very low55 Ų55129.3 Ų129.357%0.56774%0.736SS**  trans-89.885.9-179.400000112.6N956N956-G958 PolarHBondContact O-N 3.47Å
959S30.3Very low29.7Very low114 Ų114127.5 Ų127.580%0.79774%0.74SS**  trans54.9113.5160.8-580000118.4P957P957-S959 PolarHBondContact O-N 3.39Å
960L27.3Very low29.3Very low163 Ų163124.3 Ų124.385%0.85374%0.736SS**PPolyproline II helixtrans-50.8134.3154.5-69.6167.2000109.5V962L960-V962 PolarHBondContact O-N 3.05Å; L960-V962 VanDerWaalsContact O-N 3.11Å
961P33.4Very low29.5Very low116 Ų116126 Ų12675%0.75374%0.739SS**PPolyproline II helixtrans-65.1116.418025.6-33.3000110.2M963P961-M963 PolarHBondContact O-N 3.21Å; P961-M963 VanDerWaalsContact O-N 3.14Å
962V29.3Very low29.5Very low132 Ų132125.4 Ų125.480%0.875%0.746SS**SBendtrans-60.8118.1176.5172.40000109.3L960L960-V962 PolarHBondContact O-N 3.05Å; L960-V962 VanDerWaalsContact O-N 3.11Å
963M26.6Very low29.6Very low134 Ų134123.4 Ų123.466%0.6673%0.731SS**  trans59.9117.7175-64.9174.361.600116.2P961 T965P961-M963 PolarHBondContact O-N 3.21Å; P961-M963 VanDerWaalsContact O-N 3.14Å; M963-T965 PolarHBondContact O-N 2.81Å
964P31.9Very low29.6Very low129 Ų129121.1 Ų121.184%0.83873%0.729SS**  trans-53.696.9136.526.4-34.7000108.6N966P964-N966 PolarHBondContact O-N 3.24Å
965T31.3Very low29.1Very low100 Ų100121.4 Ų121.461%0.61373%0.732SS**  trans-60.5123.6175.8-67.20000108.2M963 M967M963-T965 PolarHBondContact O-N 2.81Å; T965-M967 HydrophobicContact CG2-CB 4.22Å; T965-M967 HydrophobicContact CG2-CG 3.88Å; T965-M967 PolarHBondContact O-N 3.07Å
966N25.8Very low29.3Very low127 Ų127124 Ų12468%0.67974%0.738SS**SBendtrans-67.281.6178.6-174.4-3.8000110.7P964P964-N966 PolarHBondContact O-N 3.24Å
967M27.1Very low29.4Very low127 Ų127122.3 Ų122.363%0.62674%0.743SS**  trans-136.938.2-177.8-90.4-8970.900111.5T965T965-M967 HydrophobicContact CG2-CB 4.22Å; T965-M967 HydrophobicContact CG2-CG 3.88Å; T965-M967 PolarHBondContact O-N 3.07Å
968S33.2Very low29.3Very low100 Ų100124.7 Ų124.770%0.69974%0.743SS**  trans-107.825169.752.40000113.3C970S968-C970 PolarHBondContact O-N 3.24Å
969S27.1Very low29.4Very low102 Ų102128.6 Ų128.671%0.71375%0.751SS**  trans-69.973.1150.5-171.70000108.9R971S969-R971 PolarHBondContact O-N 3.17Å
970C25.7Very low29.4Very low117 Ų117129.8 Ų129.879%0.79175%0.747SS**  trans-73.475171.7-83.40000110S968S968-C970 PolarHBondContact O-N 3.24Å
971R29Very low29.4Very low179 Ų179126.9 Ų126.968%0.67574%0.736SS**  6289.9124.1-164176.6-172.8-157.813114.3S969 H973S969-R971 PolarHBondContact O-N 3.17Å; R971-H973 VanDerWaalsContact C-N 3.31Å; R971-H973 VanDerWaalsContact CD-NE2 3.29Å; R971-H973 WeakPolarHBondContact CD-NE2 3.44Å; R971-H973 VanDerWaalsContact CZ-CE1 3.49Å; R971-H973 PolarHBondContact NE-NE2 2.85Å; R971-H973 PolarHBondContact NH1-CE1 2.71Å; R971-H973 VanDerWaalsContact NH1-CE1 3.3Å; R971-H973 PolarHBondContact NH1-NE2 2.79Å; R971-H973 PolarHBondContact O-N 3.37Å
972T29.6Very low29.3Very low142 Ų142133.5 Ų133.587%0.87175%0.746SS**  trans-50.695.8153.348.30000109.7P974T972-P974 WeakPolarHBondContact O-CD 2.92Å
973H33.5Very low29.4Very low127 Ų127138 Ų13859%0.58875%0.748SS**  trans-79121.3174.2-98.8-90.5000109.3R971 C975R971-H973 VanDerWaalsContact C-N 3.31Å; R971-H973 VanDerWaalsContact CD-NE2 3.29Å; R971-H973 WeakPolarHBondContact CD-NE2 3.44Å; R971-H973 VanDerWaalsContact CZ-CE1 3.49Å; R971-H973 PolarHBondContact NE-NE2 2.85Å; R971-H973 PolarHBondContact NH1-CE1 2.71Å; R971-H973 VanDerWaalsContact NH1-CE1 3.3Å; R971-H973 PolarHBondContact NH1-NE2 2.79Å; R971-H973 PolarHBondContact O-N 3.37Å; H973-C975 PolarHBondContact O-N 3.23Å
974P26.9Very low29.7Very low116 Ų116137.9 Ų137.975%0.75376%0.755SS**  trans-73119.615930.8-30.1000108.2T972T972-P974 WeakPolarHBondContact O-CD 2.92Å
975C25.9Very low29.5Very low115 Ų115138.1 Ų138.178%0.77775%0.754SS**  trans-164.1110.3148-110.80000110.3H973 A977H973-C975 PolarHBondContact O-N 3.23Å; C975-A977 PolarHBondContact O-N 2.67Å
976T31.1Very low29.3Very low146 Ų146141.6 Ų141.690%0.89676%0.764SS**  trans-17.5102.4159.246.90000116.3
977A31.8Very low29.6Very low98 Ų98141.1 Ų141.181%0.8177%0.767SS**  trans-135.780163.300000109.6C975C975-A977 PolarHBondContact O-N 2.67Å
978Q30.6Very low29.8Very low180 Ų180142 Ų14284%0.84177%0.774SS**  trans-80.5115172.4-69.1177.4-14.400109.6
979N30.5Very low29.5Very low136 Ų136144.8 Ų144.873%0.72778%0.78SS**  -177.2123.2119.4-100.8-54.9000115
980I30.8Very low29.4Very low139 Ų139147.4 Ų147.471%0.71378%0.783SS**  49.898.6128-63.5-179.1000117.8
981T27.7Very low29.7Very low103 Ų103147.5 Ų147.563%0.63279%0.785SS**  68.8104.9127.6-51.10000119.7R983T981-R983 HydrophobicContact CG2-CG 4.25Å
982R31.3Very low29.6Very low254 Ų254146 Ų14696%0.95880%0.796SS**  -125.6105.1126-71.2-166.9176.7-162.3-1.4110.5
983R29.6Very low29.6Very low226 Ų226150 Ų15085%0.85380%0.795SS**  trans-68.8136.3159-57.3173.6-178.2176-1107.6T981T981-R983 HydrophobicContact CG2-CG 4.25Å
984V33.6Very low29.3Very low133 Ų133153.2 Ų153.281%0.80681%0.808SS**  -157.1111.9124.9-177.60000107.9
985T27.6Very low29.6Very low133 Ų133159 Ų15982%0.81682%0.816SS**  trans-139.7129.2157.4-3.10000108
986Q26.8Very low29.5Very low174 Ų174156.5 Ų156.581%0.81381%0.809SS**  trans58.7104.5175.6-58.8-173.3-3.900116.8N988Q986-N988 PolarHBondContact O-N 2.74Å
987P33.5Very low29.9Very low116 Ų116155.5 Ų155.575%0.75381%0.805SS**  trans-63.5120.6154.1-11.427.4000108.7I989P987-I989 PolarHBondContact O-N 2.79Å
988N30Very low29.8Very low145 Ų145156.8 Ų156.878%0.77581%0.807SS**  trans-76.9116.3178.6-170.91.1000110.3Q986 M990Q986-N988 PolarHBondContact O-N 2.74Å; N988-M990 PolarHBondContact O-N 2.9Å
989I26.7Very low29.8Very low159 Ų159154.1 Ų154.182%0.81580%0.802SS**  trans-89.588-174.9-51.8176.7000109.9P987P987-I989 PolarHBondContact O-N 2.79Å
990M26.6Very low29.8Very low157 Ų157156.2 Ų156.277%0.77381%0.805SS**  trans-14196.4167.4-76.5-160.174.700113N988N988-M990 PolarHBondContact O-N 2.9Å
991S30.7Very low29.9Very low119 Ų119159.2 Ų159.283%0.83282%0.816SS**  179.8113.9124.9-830000112.3R993S991-R993 PolarHBondContact O-N 3.22Å
992T26.8Very low29.8Very low147 Ų147159.5 Ų159.590%0.90282%0.818SS**  trans-84.496.1160.135.40000109.7
993R30.5Very low29.6Very low227 Ų227154.4 Ų154.486%0.85781%0.807SS**  trans-148.2122.1158.9-157162.4-68.4-152.51.7114S991S991-R993 PolarHBondContact O-N 3.22Å
994F27.2Very low29.7Very low195 Ų195151.5 Ų151.586%0.85580%0.803SS**  trans-33.5127.1169.4-69.1-104000116.1
995Y32.2Very low29.5Very low238 Ų238150.1 Ų150.193%0.93380%0.797SS**  -173.9156.4116.4-91.2-71.1000105.4
996G25.4Very low29.7Very low61 Ų61150.3 Ų150.363%0.62979%0.788SS**  cis152.1124.312.100000105.3
997P39.2Very low29.8Very low125 Ų125150 Ų15081%0.81278%0.784SS**  trans-95.2145.4-150.334.8-36.7000116.3
998C28.9Very low29.9Very low125 Ų125151.5 Ų151.585%0.84578%0.784SS**  trans-132.6106.1155.6-81.80000108.7
999V31.5Very low29.8Very low124 Ų124152.9 Ų152.975%0.75279%0.786SS**  92.49987.1172.80000112.6
1000K29.3Very low30.2Very low180 Ų180153.1 Ų153.178%0.78378%0.784SS**  trans26.3116.8141.9-53.9174.7-177.51780118.5
1001Q33.2Very low30.5Very low203 Ų203156.1 Ų156.195%0.94979%0.786SS**  -124.3147.6121.9-84.8-170.6-13.400109.6
1002T26.2Very low30.4Very low108 Ų108157.7 Ų157.766%0.66378%0.784SS**  trans-135162-168.2460000110.1
1003M25.8Very low30.7Very low148 Ų148156.2 Ų156.273%0.72978%0.777SS**  trans77.1113.1176.7-46.5-74.185.800114.8
1004Q32.9Very low30.5Very low165 Ų165152.6 Ų152.677%0.77177%0.771SS**  -163117.4101-93.6-62.518.300110.5
1005P28.8Very low30.6Very low104 Ų104149.7 Ų149.768%0.67576%0.764SS**  trans-122.797.8172.135.4-19.9000112.4
1006E32.7Very low30.5Very low136 Ų136145.6 Ų145.664%0.63676%0.759SS**  trans-127.6115.4167.7-70.8-151.6109.400108.8
1007K28.7Very low30.6Very low169 Ų169146.6 Ų146.674%0.73576%0.756SS**  90.5168.288.3-78.4177.1-171.6159.70112
1008I34.5Very low30.1Very low147 Ų147145.9 Ų145.975%0.75475%0.749SS**  trans71.886.4-169.5-51166.4000110
1009E28.3Very low30Very low173 Ų173148.8 Ų148.881%0.80875%0.747SS**  62.1111.673.6-60.5-174155.700114.4
1010Q35.8Very low29.9Very low164 Ų164153.8 Ų153.877%0.76675%0.753SS**  -178.4152.1120.3-101.3175.850.300113.3
1011R32Very low29.8Very low220 Ų220150.3 Ų150.383%0.8375%0.751SS**  trans63.393.4162.3-64.2174.3-171.9-138.3-2.8118.5
1012I28.4Very low29.8Very low153 Ų153149.1 Ų149.179%0.78575%0.751SS**  trans-87.8129.4145.3-64.6170.9000107.1M1014I1012-M1014 HydrophobicContact CG2-CG 4.06Å
1013P34Very low29.7Very low115 Ų115152.4 Ų152.475%0.74776%0.758SS**  -120.4119.2110.7-3.423.7000109.4
1014M26.5Very low30.4Very low151 Ų151149.8 Ų149.874%0.74475%0.752SS**  42.1111.291.2-75.2-160.96200112.1I1012I1012-M1014 HydrophobicContact CG2-CG 4.06Å
1015L28.4Very low30.3Very low135 Ų135149.9 Ų149.971%0.70775%0.752SS**  cis132.2110.730.9-116.2173.1000103.1
1016N29.7Very low30.4Very low152 Ų152152 Ų15281%0.81376%0.757SS**  trans-128.463.2169.3-147.9-7.1000109.8T1018N1016-T1018 PolarHBondContact OD1-OG1 3.15Å
1017S27.9Very low30.1Very low81 Ų81152.4 Ų152.457%0.56677%0.769SS**  trans-98.274.6176.2165.80000109.4K1019S1017-K1019 VanDerWaalsContact C-N 3.34Å; S1017-K1019 PolarHBondContact O-N 3.44Å
1018T29.8Very low30.1Very low110 Ų110148.1 Ų148.168%0.67577%0.772SS**  trans-69.386-179.6-57.40000111.6N1016 R1020N1016-T1018 PolarHBondContact OD1-OG1 3.15Å; T1018-R1020 PolarHBondContact O-N 2.82Å; T1018-R1020 VanDerWaalsContact O-N 3.1Å
1019K26.2Very low29.7Very low186 Ų186146.7 Ų146.781%0.80978%0.775SS**  trans-75.590168.4-75.1-174.7176-179.40110.5S1017S1017-K1019 VanDerWaalsContact C-N 3.34Å; S1017-K1019 PolarHBondContact O-N 3.44Å
1020R29.9Very low29.6Very low229 Ų229146.4 Ų146.486%0.86478%0.776SS**  trans-112.6119.7146.9-70.9-175.3176-171.7-1.1105.9T1018T1018-R1020 PolarHBondContact O-N 2.82Å; T1018-R1020 VanDerWaalsContact O-N 3.1Å
1021S26.5Very low29.4Very low108 Ų108143.4 Ų143.476%0.75577%0.765SS**  cis64.176.427.3-166.60000113.8
1022L33.1Very low29.2Very low178 Ų178138.9 Ų138.993%0.93276%0.764SS**  -152.7154.1127.1-101159.9000107.9
1023H24Very low29.2Very low177 Ų177140.4 Ų140.482%0.81976%0.76SS**  trans-120.4-169.1-163.4-145.2-27.9000111.8
1024P40Very low29.1Very low92 Ų92141.5 Ų141.560%0.59777%0.765SS**  trans-86172.5-131.341.3-29.7000114.4
1025H30.9Very low29.3Very low167 Ų167140.5 Ų140.577%0.77377%0.767SS**  trans-166147.2131.6-100.2-68.3000110.8
1026L31.6Very low29.2Very low149 Ų149139 Ų13978%0.7877%0.767SS**  trans46.6112.8151.2-57.2168.2000117.3
1027V26.8Very low29.1Very low145 Ų145139.4 Ų139.488%0.87977%0.769SS**  cis49.7104.438.1-170.30000112.8
1028G28.3Very low29.3Very low78 Ų78142.2 Ų142.280%0.80478%0.778SS**  trans163.271.5175.400000114.8
1029S25.9Very low29Very low118 Ų118147.5 Ų147.583%0.82579%0.785SS**  trans-83.6124.9160.4-179.20000108.8
1030M25.1Very low29Very low166 Ų166143.4 Ų143.482%0.81879%0.786SS**  trans124.7111.9166.7-72.9163.452.100113.2
1031D31.7Very low29.1Very low102 Ų102137.9 Ų137.955%0.54578%0.783SS.*  -159.895.4119.9-134.4-5.3000111.8R1033D1031-R1033 HydrophobicContact CB-CB 4.46Å; D1031-R1033 PolarHBondContact O-N 3.11Å; D1031-R1033 VanDerWaalsContact OD1-CD 3.26Å; D1031-R1033 WeakPolarHBondContact OD1-CD 3.49Å; D1031-R1033 VanDerWaalsContact OD1-CG 3.23Å; D1031-R1033 WeakPolarHBondContact OD1-CG 3.43Å; D1031-R1033 IonicContact OD1-CZ 3.62Å; D1031-R1033 IonicContact OD1-NE 3.49Å; D1031-R1033 PolarHBondContact OD1-NE 2.93Å; D1031-R1033 IonicContact OD1-NH1 3.36Å; D1031-R1033 PolarHBondContact OD1-NH1 3.26Å; D1031-R1033 WeakPolarHBondContact OD2-CD 3.12Å; D1031-R1033 IonicContact OD2-CZ 3.86Å; D1031-R1033 IonicContact OD2-NE 4Å; D1031-R1033 IonicContact OD2-NH1 2.98Å; D1031-R1033 PolarHBondContact OD2-NH1 3.15Å
1032P29.1Very low29.2Very low124 Ų124141.4 Ų141.481%0.80579%0.787SS**  trans-75.474.6164.132-32.3000109.4
1033R28.7Very low29.2Very low185 Ų185138.2 Ų138.270%0.69878%0.777SS**  trans-130.462.9-176.4-82.7-166.4-176.3140.5-10.8114.4D1031D1031-R1033 HydrophobicContact CB-CB 4.46Å; D1031-R1033 PolarHBondContact O-N 3.11Å; D1031-R1033 VanDerWaalsContact OD1-CD 3.26Å; D1031-R1033 WeakPolarHBondContact OD1-CD 3.49Å; D1031-R1033 VanDerWaalsContact OD1-CG 3.23Å; D1031-R1033 WeakPolarHBondContact OD1-CG 3.43Å; D1031-R1033 IonicContact OD1-CZ 3.62Å; D1031-R1033 IonicContact OD1-NE 3.49Å; D1031-R1033 PolarHBondContact OD1-NE 2.93Å; D1031-R1033 IonicContact OD1-NH1 3.36Å; D1031-R1033 PolarHBondContact OD1-NH1 3.26Å; D1031-R1033 WeakPolarHBondContact OD2-CD 3.12Å; D1031-R1033 IonicContact OD2-CZ 3.86Å; D1031-R1033 IonicContact OD2-NE 4Å; D1031-R1033 IonicContact OD2-NH1 2.98Å; D1031-R1033 PolarHBondContact OD2-NH1 3.15Å
1034T31.5Very low29.5Very low139 Ų139140.7 Ų140.785%0.85378%0.779SS**  trans-118.388.8148.339.30000106.5
1035V29.9Very low29Very low130 Ų130143.2 Ų143.279%0.78879%0.788SS**  60.3102.887.9179.60000110.6
1036S26.5Very low29Very low102 Ų102140.4 Ų140.471%0.71379%0.787SS**  trans-74.1168.1171.5-43.50000111.7
1037L27.3Very low28.6Very low161 Ų161138.5 Ų138.584%0.84379%0.785SS**  trans72.8110.6172.1-49.6149.4000112
1038D32Very low28.9Very low141 Ų141138.2 Ų138.275%0.75478%0.784SS**  -146.6143.365.8-97.7-35.9000111.2
1039R24.3Very low28.9Very low220 Ų220140 Ų14083%0.8378%0.779SS**  83.885.759.9-166.3-169.9-177.7100.83.9113.7
1040A26.8Very low29.1Very low101 Ų101143.5 Ų143.584%0.83578%0.78SS**  trans42.598.2144.100000119.1
1041S32.2Very low29.4Very low113 Ų113141 Ų14179%0.7978%0.776SS**  trans-128.399.214953.10000110.5
1042Q27.6Very low29.5Very low181 Ų181143.7 Ų143.785%0.84679%0.789SS**  trans-64.1147.3155.1-71.8-177.2-12.800108.2
1043P33.3Very low29.6Very low112 Ų112145.8 Ų145.873%0.72779%0.79SS**  -135.8128.4118.234.3-24000114
1044R30.6Very low29.6Very low229 Ų229144.9 Ų144.986%0.86479%0.794SS**  trans57.194.2141.5-63179.7176.4166.5-1.2118S1046R1044-S1046 PolarHBondContact O-N 2.89Å
1045N29.3Very low29.3Very low144 Ų144143.6 Ų143.677%0.7779%0.789SS**  trans-15.5122.2132.5-47.5-0.6000114.2
1046S30.8Very low29.2Very low109 Ų109143.6 Ų143.676%0.76278%0.784SS**  trans-13390.7147.459.70000107.6R1044 T1048R1044-S1046 PolarHBondContact O-N 2.89Å; S1046-T1048 PolarHBondContact O-N 2.85Å
1047C23.8Very low29.3Very low108 Ų108144.1 Ų144.173%0.7379%0.787SS**  trans-74.5105.3-175.9-570000110.5T1049C1047-T1049 PolarHBondContact O-N 2.84Å
1048T33.2Very low29.6Very low139 Ų139144.1 Ų144.185%0.85379%0.786SS**  trans-88.790.6160.248.30000108.7S1046 F1050S1046-T1048 PolarHBondContact O-N 2.85Å; T1048-F1050 PolarHBondContact O-N 3.04Å
1049T27.5Very low29.4Very low115 Ų115147.7 Ų147.771%0.70679%0.789SS**  trans-58.3116.3175.3-57.80000111.3C1047C1047-T1049 PolarHBondContact O-N 2.84Å
1050F29.8Very low29.5Very low192 Ų192142.3 Ų142.384%0.84278%0.784SS**  trans-143.5124.3144.6-97.8-76.2000108.7T1048 I1052T1048-F1050 PolarHBondContact O-N 3.04Å; F1050-I1052 PolarHBondContact O-N 2.83Å
1051P30.7Very low30Very low115 Ų115143.8 Ų143.875%0.74779%0.785SS**  trans-76110-179.229.8-32.6000110.2
1052I34.6Very low29.8Very low157 Ų157145.5 Ų145.581%0.80578%0.784SS**  trans-71.9128.9166.4-60.4172.5000107.2F1050 E1054F1050-I1052 PolarHBondContact O-N 2.83Å; I1052-E1054 PolarHBondContact O-N 3.01Å
1053M30.6Very low29.9Very low168 Ų168145.3 Ų145.383%0.82878%0.783SS**  trans-65.1131175.1-67.8-165.5-65.400110.2C1055M1053-C1055 PolarHBondContact O-N 3.29Å
1054E29Very low29.7Very low167 Ų167147.6 Ų147.678%0.7878%0.784SS**  trans-72.793.6-179.2-65.4-17713500110.7I1052 N1056I1052-E1054 PolarHBondContact O-N 3.01Å; E1054-N1056 PolarHBondContact O-N 3.12Å; E1054-N1056 PolarHBondContact O-ND2 3.33Å
1055C25Very low29.7Very low112 Ų112142.5 Ų142.576%0.75778%0.779SS**  trans-65.285.2167.4-66.90000109.9M1053 C1057M1053-C1055 PolarHBondContact O-N 3.29Å; C1055-C1057 PolarHBondContact O-N 3.14Å
1056N28.6Very low29.7Very low129 Ų129144 Ų14469%0.6978%0.779SS**  trans-72.859.7176.9-82.4-62.5000111.8E1054 I1058E1054-N1056 PolarHBondContact O-N 3.12Å; E1054-N1056 PolarHBondContact O-ND2 3.33Å; N1056-I1058 PolarHBondContact O-N 2.89Å
1057C27.5Very low29.6Very low114 Ų114143 Ų14377%0.7778%0.777SS**  trans-63.9101.1165.2-63.40000108.1C1055 R1059C1055-C1057 PolarHBondContact O-N 3.14Å; C1057-R1059 VanDerWaalsContact C-N 3.26Å; C1057-R1059 PolarHBondContact O-N 3Å
1058I33.8Very low29.8Very low160 Ų160145.3 Ų145.382%0.82178%0.781SS**  trans-68.690.2179.1-61.7-178.2000108.9N1056 C1060N1056-I1058 PolarHBondContact O-N 2.89Å; I1058-C1060 PolarHBondContact O-N 3.38Å
1059R28.2Very low29.9Very low216 Ų216144.7 Ų144.782%0.81578%0.78SS**  trans-39.4109.6177.6-173177.2-173.1167.4-0.6112.2C1057C1057-R1059 VanDerWaalsContact C-N 3.26Å; C1057-R1059 PolarHBondContact O-N 3Å
1060C27.1Very low30Very low108 Ų108147.9 Ų147.973%0.7379%0.786SS**  trans-50.2132.1169.8-65.90000110I1058 L1062I1058-C1060 PolarHBondContact O-N 3.38Å; C1060-L1062 PolarHBondContact O-N 3.39Å
1061P36.2Very low29.9Very low131 Ų131143.9 Ų143.985%0.85178%0.782SS**  trans-61.3105.5-177.8-26.135.6000112.4
1062L29.5Very low30.1Very low149 Ų149147.2 Ų147.278%0.7879%0.785SS**  trans-67.2140.1170.7-89.8166.3000110.2C1060 E1064C1060-L1062 PolarHBondContact O-N 3.39Å; L1062-E1064 PolarHBondContact O-N 3.06Å
1063H28.8Very low30.1Very low178 Ų178146.6 Ų146.682%0.82478%0.779SS**  trans-6682.9178-112.9-107000111.7T1065H1063-T1065 PolarHBondContact O-N 3.13Å; H1063-T1065 VanDerWaalsContact O-N 3.09Å; H1063-T1065 PolarHBondContact O-OG1 3.01Å
1064E29.2Very low30Very low159 Ų159146.8 Ų146.874%0.74378%0.777SS**  trans-77.999.8174.5-162.9159.5-122.200110.6L1062 F1066L1062-E1064 PolarHBondContact O-N 3.06Å; E1064-F1066 HydrophobicContact CG-CD2 4.1Å; E1064-F1066 HydrophobicContact CG-CE2 3.77Å; E1064-F1066 PolarHBondContact O-N 3.35Å
1065T30Very low30.1Very low123 Ų123143.9 Ų143.976%0.75578%0.782SS**  trans-81.383.6-169.9-57.10000110.4H1063 A1067H1063-T1065 PolarHBondContact O-N 3.13Å; H1063-T1065 VanDerWaalsContact O-N 3.09Å; H1063-T1065 PolarHBondContact O-OG1 3.01Å; T1065-A1067 PolarHBondContact O-N 3.36Å
1066F29.6Very low30Very low176 Ų176148.8 Ų148.877%0.77279%0.786SS**PPolyproline II helixtrans-67.2122.4178.3-93.8-83.5000112.3E1064E1064-F1066 HydrophobicContact CG-CD2 4.1Å; E1064-F1066 HydrophobicContact CG-CE2 3.77Å; E1064-F1066 PolarHBondContact O-N 3.35Å
1067A27.9Very low30.1Very low88 Ų88148.3 Ų148.373%0.72779%0.787SS**PPolyproline II helixtrans-72.9160.7-173.200000113.4T1065T1065-A1067 PolarHBondContact O-N 3.36Å
1068L28.8Very low30Very low155 Ų155151.1 Ų151.181%0.81279%0.794SS**PPolyproline II helixtrans-56.3134.6175.5-83.264.7000111.1H1070L1068-H1070 PolarHBondContact O-N 3.32Å
1069P35.4Very low29.8Very low127 Ų127148.5 Ų148.583%0.82579%0.786SS**PPolyproline II helixtrans-63.1136.5168.927.4-33.5000110.2
1070H30.7Very low29.9Very low181 Ų181145.6 Ų145.684%0.83879%0.785SS**PPolyproline II helixtrans-64.6146.2-165.9-82.6-84.6000115.2L1068L1068-H1070 PolarHBondContact O-N 3.32Å
1071S27.6Very low30.1Very low108 Ų108146.2 Ų146.276%0.75579%0.786SS**  trans-34.3137.7162.4520000115.3
1072K33.8Very low29.9Very low185 Ų185149.5 Ų149.580%0.80479%0.787SS**  trans-129.292.3156.5-165.4158.5-169.5165.50113.4
1073E33.9Very low30.1Very low145 Ų145149.6 Ų149.668%0.67879%0.788SS**  trans50.3105.2135.5-59.1171.9136.100119.9
1074H30.3Very low30.2Very low171 Ų171144.8 Ų144.879%0.79279%0.787SS**  trans39.596.6131.1-57.5-73.7000120
1075A29.3Very low30.3Very low106 Ų106143.8 Ų143.888%0.87679%0.791SS**  trans-121.375.415400000110.4V1077A1075-V1077 PolarHBondContact O-N 2.98Å
1076Y24.6Very low30.1Very low216 Ų216147.3 Ų147.385%0.84780%0.796SS**  trans-90.281.4-173.9-127.8-84.5000111.7
1077V29.7Very low30Very low119 Ų119144.6 Ų144.672%0.72180%0.799SS**  trans-13884.3163.9-1720000110.2A1075 T1079A1075-V1077 PolarHBondContact O-N 2.98Å; V1077-T1079 HydrophobicContact CG1-CG2 4.41Å; V1077-T1079 PolarHBondContact O-N 2.69Å
1078N25.3Very low30.6Very low172 Ų172146.8 Ų146.892%0.9280%0.804SS**  trans-91.680.6169.3-130.81.1000109.1
1079T28.9Very low30.7Very low106 Ų106144.4 Ų144.465%0.6580%0.798SS**  trans-127.9113.4167.956.10000110V1077V1077-T1079 HydrophobicContact CG1-CG2 4.41Å; V1077-T1079 PolarHBondContact O-N 2.69Å
1080I31.9Very low30.3Very low155 Ų155145.3 Ų145.380%0.79580%0.795SS**  -160121.7118.6-89.9142.6000106.1
1081T29.7Very low30Very low121 Ų121142.4 Ų142.474%0.74279%0.79SS**  trans-65.7141.4168.9380000110.1
1082K33.4Very low29.9Very low199 Ų199141 Ų14187%0.86578%0.781SS**  trans-120.884.5165.2-84.7-167.5172.5-1760110.1
1083D32.4Very low29.9Very low152 Ų152141.1 Ų141.181%0.81379%0.786SS**  trans-63.2150152.4-57.5-75.4000109.6
1084G31.6Very low29.6Very low77 Ų77141 Ų14179%0.79479%0.789SS**  trans144.672.6177.200000114.1
1085V31.3Very low29.7Very low137 Ų137140.5 Ų140.583%0.8379%0.79SS**  trans-75147.6170.6176.60000110.2
1086F25.8Very low30.1Very low197 Ų197140.1 Ų140.186%0.86478%0.779SS**  trans-31.8140-178.3-70.6-95.5000117.4
1087S28Very low30.4Very low119 Ų119137.3 Ų137.383%0.83278%0.778SS**  trans-147.7124.8157-71.80000109.4
1088T39.5Very low30.4Very low135 Ų135136.8 Ų136.883%0.82878%0.78SS**  trans-83.5157.3171.249.80000110.1
1089P31.2Very low30.9Very low105 Ų105133.9 Ų133.968%0.68277%0.77SS**  -151.8-178.4107.440.5-24.3000115.6
1090N27.6Very low30.9Very low145 Ų145134 Ų13478%0.77578%0.775SS**  trans84.9142.8156.4-67.3-14.5000121.4
1091V23.6Very low30.8Very low120 Ų120136.2 Ų136.273%0.72778%0.779SS**  -178.2150.2-53.31420000110.5
1092S25.5Very low30.8Very low80 Ų80134.7 Ų134.756%0.55977%0.773SS**  trans54113.2160.965.40000122
1093M34.9Very low30.7Very low187 Ų187131.1 Ų131.192%0.92177%0.77SS**  -161.196.3118.5-73.6-146.7-59.700105.4
1094I28Very low30.4Very low142 Ų142130.3 Ų130.373%0.72877%0.766SS**  66.3124.460.2-43.6177.1000113.3
1095I31.8Very low30.2Very low160 Ų160136.4 Ų136.482%0.82177%0.766SS**  trans105.9130.2166.8-57.5-168.3000115.6
1096P38.3Very low30Very low98 Ų98140.1 Ų140.164%0.63677%0.765SS**  trans-133.2-178.8-157.838.8-17.2000115.5
1097N31Very low30.1Very low157 Ų157142 Ų14284%0.8477%0.767SS**  178.9156114.8-89.7-40.5000113.5
1098S27.9Very low30.2Very low108 Ų108147.6 Ų147.676%0.75577%0.77SS**  trans-92.6-176.6-17959.70000111.1
1099P37.4Very low29.7Very low111 Ų111152.8 Ų152.872%0.72177%0.774SS**  cis-139.3172.5843.5-26.4000117.2
1100C27.7Very low29.3Very low109 Ų109152.8 Ų152.874%0.73678%0.776SS**  177.6155127.1-102.90000114.9
1101F31Very low29.4Very low202 Ų202151.9 Ų151.989%0.88678%0.775SS**  trans63.6138.9166.9-70.6-69.6000122.8
1102S29.3Very low29.5Very low89 Ų89154.3 Ų154.362%0.62278%0.781SS**  trans-153.8141.7165.1-174.30000107.4
1103P32Very low29.8Very low123 Ų123162.4 Ų162.480%0.79980%0.799SS**  -139.3127.4105.332.7-17.9000112.7
1104N25.4Very low29.6Very low135 Ų135156.8 Ų156.872%0.72278%0.783SS**  68.19581.7-97.8-58.4000115.8
1105Y28.1Very low29.7Very low205 Ų205155.9 Ų155.980%0.80478%0.784SS**  trans-136.7153.6136.9-111.9-93.6000110.4
1106R26.4Very low29.5Very low216 Ų216154.8 Ų154.882%0.81579%0.785SS**SBendtrans-21.1141171.6-55.5163.8176.9171.8-5.1115.5
1107R28.5Very low29.1Very low236 Ų236154.7 Ų154.789%0.89179%0.792SS**  cis-139.2164.97.8-48.7169.3171.4145.2-4.8107.6
1108R29.7Very low28.8Very low236 Ų236155.2 Ų155.289%0.89179%0.79SS**  cis77.6136.418.9-67.2-167.1174-156.7-1.8117.7
1109R28.5Very low28.8Very low244 Ų244159.4 Ų159.492%0.92179%0.794SS**  trans71.4127.5-166.1-62.6-172.8-179.9-168.1-0.7113.3
1110C23.8Very low29Very low106 Ų106159.6 Ų159.672%0.71680%0.796SS**  cis-155.4160-3.9-87.60000107.8
1111T27.9Very low29.5Very low125 Ų125160 Ų16077%0.76780%0.797SS**  cis-157.2148.2-7.67.80000110.7
1112M26.8Very low29.2Very low171 Ų171154.2 Ų154.284%0.84278%0.782SS**  trans-0.1127.2151.2-57.3-74.6-7500118.8
1113R31.6Very low29.2Very low250 Ų250158.7 Ų158.794%0.94379%0.79SS**  -147.6137.1123.1-153.3168.6-171.6162.52.7110.2
1114A31.5Very low29Very low70 Ų70159 Ų15958%0.57979%0.785SS**  trans-123.8156.3-177.400000111
1115T30.1Very low29.2Very low123 Ų123158.6 Ų158.676%0.75578%0.783SS**  trans48.3102.7148.152.40000120.6
1116T27.4Very low29.3Very low137 Ų137156.6 Ų156.684%0.8478%0.781SS**  66.7159.3117.3-14.40000122.1
1117A29.2Very low29.6Very low96 Ų96150.9 Ų150.979%0.79377%0.774SS**  trans87.9132163.200000117.8
1118Q25Very low29.6Very low168 Ų168147.8 Ų147.879%0.78577%0.769SS**  trans-87.8154.3174.7-60.3136.4-53.500110.1
1119F28Very low29.7Very low195 Ų195143.6 Ų143.686%0.85576%0.764SS**  170.1127.8121.2-95.6-67.2000111
1120P41.2Very low29.9Very low116 Ų116139.4 Ų139.475%0.75376%0.759SS**  trans-93.6135.8161.634.8-29.2000110.5
1121P37.6Very low30.7Very low118 Ų118138.9 Ų138.977%0.76676%0.755SS**  -150.4-172.4100.242-25.1000111.9
1122S25.8Very low30.7Very low80 Ų80141.8 Ų141.856%0.55976%0.759SS**  cis-175.3154.7-31.453.60000108.4
1123F28.9Very low30.9Very low182 Ų182139.4 Ų139.480%0.79876%0.759SS**  trans65.6164.8168-52.3-58.9000115.4
1124D28.3Very low30.9Very low130 Ų130135.4 Ų135.470%0.69576%0.756SS**  cis-162.6-178-29.6-102.7-11.4000109.6
1125N30.1Very low31Very low127 Ų127138.7 Ų138.768%0.67977%0.769SS**  trans77.1113.7152.4-73.20.7000122.6
1126E29.4Very low31Very low163 Ų163138.2 Ų138.276%0.76277%0.768SS**  71.9155.9119.6-62.9-169.2114.200124.2
1127S31.8Very low31.3Very low96 Ų96137.9 Ų137.967%0.67177%0.768SS**  trans89.696.2146.972.70000121.7
1128H28.9Very low31.4Very low170 Ų170141.2 Ų141.279%0.78777%0.772SS**  66.2132.2114.7-64.6-53.2000124.1
1129L31.5Very low31.3Very low148 Ų148138.5 Ų138.578%0.77577%0.77SS**  trans90.5131.9137.9-73.3162.3000123.3
1130L33.6Very low31.4Very low157 Ų157135 Ų13582%0.82277%0.769SS**  trans79.1158.9145.5-66.7167.3000120.6
1131P39.5Very low30.8Very low95 Ų95134.7 Ų134.762%0.61777%0.769SS**  trans-134.8178.3-143.246-30.5000118.3
1132H27.7Very low30.6Very low186 Ų186134.5 Ų134.586%0.86177%0.768SS**  trans59.5107.2158.1-61.6-57.2000120.2
1133S31.6Very low30.7Very low120 Ų120136 Ų13684%0.83978%0.776SS**  trans-146.2155.5156.265.80000111.4
1134N31.5Very low30.9Very low166 Ų166133.5 Ų133.589%0.88878%0.777SS**  trans-98.3132.8-170.2-60.5-65.6000113.1
1135V34.9Very low30.8Very low140 Ų140137.9 Ų137.985%0.84878%0.784SS**  trans-158.8152.2154.1125.40000111
1136P28.2Very low30.9Very low113 Ų113138.2 Ų138.273%0.73479%0.785SS**  trans-84.8171.5-173.5-9.729.6000115.1
1137P34.4Very low31.1Very low129 Ų129135.8 Ų135.884%0.83878%0.784SS**  trans-88.1150.7-166.734.7-36.3000115.6
1138L30.7Very low31.1Very low166 Ų166137.7 Ų137.787%0.86979%0.786SS**  trans-127.5158.1159.4-147.2150.6000108.3
1139C24.3Very low31.6Very low112 Ų112134.9 Ų134.976%0.75778%0.782SS**SBendtrans-63.4160.1-165.8-55.10000116
1140C29.2Very low31.6Very low122 Ų122133 Ų13382%0.82478%0.777SS**  trans72.9121.3177-57.90000114.2
1141S28.9Very low31.3Very low108 Ų108130 Ų13076%0.75577%0.769SS**  cis-146.7163.812.1-72.20000113.3
1142P33.8Very low30.8Very low115 Ų115131.6 Ų131.675%0.74778%0.777SS**  trans-69.3162.4176-15.631.1000113.5
1143P26.7Very low30.8Very low112 Ų112128 Ų12873%0.72777%0.773SS**  trans-78.7140.2178.731.9-34.7000112.9R1145P1143-R1145 PolarHBondContact O-N 3.23Å; P1143-R1145 VanDerWaalsContact O-N 3.1Å
1144P34.3Very low30.6Very low128 Ų128129.1 Ų129.183%0.83177%0.768SS**  trans-77.391.4164.831.8-32.6000110.6
1145R25.5Very low30.5Very low222 Ų222129.7 Ų129.784%0.83876%0.763SS**  trans-114.596.8149.6-77.8-169.5169.9-147.2-2.7106.4P1143P1143-R1145 PolarHBondContact O-N 3.23Å; P1143-R1145 VanDerWaalsContact O-N 3.1Å
1146L33Very low30.2Very low134 Ų134128.3 Ų128.370%0.70276%0.755SS**  78.3138.494.9-79.4172.1000111.2L1148L1146-L1148 HydrophobicContact CD2-CD1 4.49Å
1147P33.2Very low30.3Very low113 Ų113128.3 Ų128.373%0.73476%0.758SS**  cis-113.215831.739.1-32.9000116.6
1148L32.2Very low29.9Very low136 Ų136129.7 Ų129.771%0.71276%0.758SS**  trans-86.3127.4147.1-95.370.4000107.5L1146 V1150L1146-L1148 HydrophobicContact CD2-CD1 4.49Å; L1148-V1150 HydrophobicContact CB-CG2 4Å; L1148-V1150 HydrophobicContact CD2-CG2 3.93Å; L1148-V1150 HydrophobicContact CG-CG2 4.24Å
1149P38.1Very low29.8Very low110 Ų110130.7 Ų130.771%0.71476%0.756SS**  -116.9147.9105.9-6.526.9000110.4
1150V31.4Very low30.3Very low109 Ų109131.6 Ų131.666%0.66176%0.76SS**  cis67.9117.321.9-154.10000110.9L1148L1148-V1150 HydrophobicContact CB-CG2 4Å; L1148-V1150 HydrophobicContact CD2-CG2 3.93Å; L1148-V1150 HydrophobicContact CG-CG2 4.24Å
1151S28.7Very low30.2Very low94 Ų94132.6 Ų132.666%0.65776%0.756SS**  cis-151155.242.8-41.90000113.9
1152T28.1Very low30Very low129 Ų129132.6 Ų132.679%0.79176%0.756SS**  trans39.4140.7138.256.60000122.1
1153S27.8Very low29.6Very low111 Ų111134.4 Ų134.478%0.77676%0.759SS**  cis-166.6150.8-4.542.80000111.4
1154I27.5Very low30.1Very low143 Ų143133.9 Ų133.973%0.73376%0.756SS**  trans-76149.7170.8-59.4156.4000109.4
1155F29.9Very low29.7Very low178 Ų178133.5 Ų133.578%0.78175%0.752SS**  167.3113123.4-97.6-80000115.3
1156T28.3Very low29.9Very low111 Ų111130.1 Ų130.168%0.68175%0.749SS**  trans41.2118.5140.856.70000123.3
1157S29.5Very low29.7Very low112 Ų112131.9 Ų131.978%0.78375%0.751SS**  -168.4118.3120.743.20000108.7
1158N26.2Very low29.7Very low159 Ų159133.1 Ų133.185%0.8575%0.75SS**  74.9113.176.7-77.6-9.2000115.9
1159K30.2Very low29.6Very low187 Ų187131.9 Ų131.981%0.81375%0.748SS**  trans-55.1158.9158.8-82.5178.5180178.50111
1160P34.6Very low29.2Very low130 Ų130133.4 Ų133.484%0.84475%0.75SS**  -146.2-167.156.140.9-19.1000117.8
1161L26.3Very low29.3Very low144 Ų144136.1 Ų136.175%0.75476%0.755SS**  trans-88.8166.2-164.8-99.364000115.5
1162S24.8Very low29.4Very low107 Ų107137.7 Ų137.775%0.74876%0.757SS**  trans65.4121.814660.20000120.1
1163N24.3Very low29.7Very low153 Ų153141.5 Ų141.582%0.81876%0.762SS**  -150.5-160.289-143.8-11.7000110.3
1164P37.9Very low29.8Very low101 Ų101143.2 Ų143.266%0.65677%0.767SS**  trans-115.1-156.7-130.443.7-28.7000114.7
1165T26.2Very low30.1Very low121 Ų121141 Ų14174%0.74277%0.77SS**  trans109.6157.2162.5-37.40000115.2
1166I29.8Very low30.1Very low150 Ų150139.2 Ų139.277%0.76977%0.769SS**  trans80.4135.5166.7-53.8-177.3000115
1167K29.8Very low30Very low172 Ų172141.4 Ų141.475%0.74878%0.776SS**  cis-176164.9-28.7-118.6176.9-177-176.20108.8
1168I32.9Very low29.9Very low138 Ų138141.8 Ų141.871%0.70878%0.779SS**  trans65.4105.8149.8-65.5165.2000119.3
1169T28.4Very low29.9Very low110 Ų110141.1 Ų141.168%0.67577%0.774SS**  42.8118.6112.2-32.20000122.4
1170D30.3Very low29.7Very low142 Ų142139.6 Ų139.676%0.75977%0.768SS**  trans59.9133.4140.4-55.2-20.8000126.6
1171E34.3Very low29.3Very low166 Ų166140.3 Ų140.378%0.77676%0.759SS**  trans98.3141.5132.8-102.7-170.2-133.600123.9
1172N29.5Very low29.4Very low128 Ų128136.3 Ų136.368%0.68475%0.753SS**  trans61100.5162.4-65.7-55.4000120.9
1173K35.3Very low29.5Very low209 Ų209135.1 Ų135.191%0.90974%0.738SS**  -166.8147.8104.4-103.9158.4-174.2171.10114.3
1174V28.9Very low29.7Very low146 Ų146130.6 Ų130.689%0.88572%0.719SS**  trans-88.1132.3174.4178.10000110
1175A35.3Very low29.3Very low96 Ų96130.3 Ų130.379%0.79372%0.715SS**  trans-147.2154.8169.800000110.4
1176N28.8Very low29.5Very low142 Ų142129 Ų12976%0.75971%0.711SS**  trans-93141.2-162.3-89-55.2000115.8
1177L27Very low29.4Very low157 Ų157133 Ų13382%0.82272%0.716SS**  trans46.5104.8137.1-58.7167.2000119.6
1178S26.9Very low29.6Very low120 Ų120131.7 Ų131.784%0.83972%0.717SS**  trans-162.6168.5132.8-155.30000114.3
1179L27.1Very low29.3Very low145 Ų145129.5 Ų129.576%0.75971%0.714SS**  trans-44.5140-165.1-87.565.4000120.8
1180K26.2Very low29.7Very low154 Ų154131.4 Ų131.467%0.6773%0.726SS**  21.6118124.2-60178.7173.9178.90119.3
1181H26.1Very low29.5Very low145 Ų145133.4 Ų133.467%0.67173%0.731SS**  154.9120.2103.4-88.5-56.7000112.6I1624H1181-I1624 WeakPolarHBondContact ND1-CD1 3.18Å
1182G26.8Very low29.7Very low61 Ų61129.9 Ų129.963%0.62972%0.722SS**  trans-171.3100.7171.400000114.5
1183N27.3Very low29.6Very low81 Ų81129.3 Ų129.343%0.43373%0.728SS.*  trans39.8125.5141.1-79.3-6.2000121.1I1624N1183-I1624 CarbonylContact C-O 3.45Å; N1183-I1624 VanDerWaalsContact CA-O 3.32Å; N1183-I1624 WeakPolarHBondContact CA-O 3.27Å
1184S29Very low29.4Very low58 Ų58123.3 Ų123.341%0.40672%0.718SS.*  134.772.4105.165.20000118.8S1186 I1624 R1625S1184-S1186 PolarHBondContact O-N 3.42Å; S1184-S1186 VanDerWaalsContact O-N 3.14Å; S1184-I1624 WeakPolarHBondContact CA-O 3.47Å; S1184-I1624 PolarHBondContact N-O 2.78Å; S1184-R1625 PolarHBondContact O-NH2 3.16Å
1185V29.9Very low29.2Very low96 Ų96123.4 Ų123.458%0.58271%0.713SS**  trans-48.5119.4166.5-177.50000112F1623 R1625V1185-F1623 HydrophobicContact CG2-CB 3.58Å; V1185-F1623 HydrophobicContact CG2-CG 4.46Å; V1185-R1625 VanDerWaalsContact C-NH2 3.27Å; V1185-R1625 PolarHBondContact O-NE 3.04Å; V1185-R1625 PolarHBondContact O-NH2 3.09Å
1186S29.6Very low29Very low93 Ų93126.3 Ų126.365%0.6571%0.714SS**  trans-112147.9172.9-87.50000111.2S1184 R1625S1184-S1186 PolarHBondContact O-N 3.42Å; S1184-S1186 VanDerWaalsContact O-N 3.14Å; S1186-R1625 PolarHBondContact OG-NH2 3.28Å
1187R27.7Very low29.2Very low233 Ų233126 Ų12688%0.87972%0.717SS**  trans-24.7131.8168.3-60.9166173.4164.1-5.2116.1
1188D34.1Very low29.2Very low145 Ų145126.1 Ų126.178%0.77572%0.719SS**  -150.3152.196.2-89.8-40.2000108.5
1189S27.3Very low29.4Very low92 Ų92124 Ų12464%0.64371%0.709SS**  cis88.482.723.61160000115.8
1190T35.6Very low29.4Very low150 Ų150126.2 Ų126.292%0.9271%0.712SS**  trans-172.6121.2132.6370000111.3
1191Q26.1Very low29.8Very low184 Ų184127.4 Ų127.486%0.8672%0.72SS**  trans-90.2-176.2157.6-108.8-164.1-4100108.7
1192P38.6Very low29.9Very low92 Ų92125.9 Ų125.960%0.59772%0.717SS**  cis-139.4-170.4-3838.6-21.3000112.5
1193S28.1Very low30.1Very low116 Ų116131.2 Ų131.281%0.81172%0.723SS**  trans66.5163.4143.3-69.10000120
1194A30.4Very low30.4Very low83 Ų83135 Ų13569%0.68674%0.743SS**  cis-157.3138.8-29.100000111.5
1195N25.6Very low30.5Very low148 Ų148143.5 Ų143.579%0.79177%0.766SS**  trans0.8117.8136.1-178.518.1000118
1196I31.7Very low30.7Very low157 Ų157144.8 Ų144.881%0.80578%0.776SS**  trans-159.5121.3141.6-88.5136.4000108.3
1197T32.3Very low30.9Very low136 Ų136147.3 Ų147.383%0.83479%0.788SS**  trans-164.1138.8141-65.90000107.3
1198N26.7Very low31Very low159 Ų159139.3 Ų139.385%0.8578%0.778SS**  trans-150.9160.1-178-155.4-16.1000110.9
1199A31.4Very low30.8Very low76 Ų76140.6 Ų140.663%0.62878%0.784SS**  trans77.2115.1169.400000121.1
1200K27.8Very low31Very low192 Ų192142.6 Ų142.684%0.83579%0.788SS**  60111.7129.4-59.5174.8179.6176.50120.8
1201H33.3Very low30.6Very low179 Ų179143.7 Ų143.783%0.82978%0.78SS**  -173.6172.8104.6-116-114.3000111.2
1202N29Very low30.8Very low113 Ų113144.1 Ų144.160%0.60478%0.784SS**  -163.5133-69.4-163.61.2000108.2
1203K30.8Very low30.4Very low173 Ų173145.5 Ų145.575%0.75279%0.791SS**  trans57.9119.1172.7-54.4176.9-177179.40118.8
1204N34.3Very low30.5Very low161 Ų161149 Ų14986%0.86180%0.795SS**  -176.3146.199.5-98.3-24.4000115.5
1205R30.9Very low30.5Very low235 Ų235154.9 Ų154.989%0.88781%0.805SS**  trans88.6108168.9-153.5166.8-165.9146.53.8117.3
1206P33.2Very low30.7Very low124 Ų124153.4 Ų153.481%0.80581%0.806SS**  trans-81.9153.4179.933.6-35000113.3
1207T34.8Very low30.8Very low145 Ų145154 Ų15489%0.8981%0.805SS**  trans-79.5156170.943.60000112.2
1208G29.2Very low30.7Very low66 Ų66154.6 Ų154.668%0.6880%0.802SS**  trans-124.3147.9165.100000110.6
1209L30Very low31.2Very low172 Ų172154.2 Ų154.290%0.90180%0.799SS**  trans28.394.2171.9-82.460.9000116
1210N30.2Very low31.3Very low133 Ų133154.1 Ų154.171%0.71179%0.788SS**  50.4102.473.3-77.18.1000116.2
1211F28.7Very low31.7Very low173 Ų173148.5 Ų148.576%0.75977%0.767SS**  trans46.3100.2137.4-55.5-73.7000120
1212M28.9Very low31.5Very low193 Ų193144.2 Ų144.295%0.95176%0.757SS**  trans-111.7113.3133.3-73.9178.665.100107.5
1213T32.1Very low31.6Very low121 Ų121146.1 Ų146.174%0.74276%0.762SS**  trans-155.471.8-178.1-39.20000111.8
1214E30.1Very low31.6Very low189 Ų189146.8 Ų146.888%0.88377%0.771SS**  trans-107.6114.6162.8-72.4-177.7132.900108.7
1215K28.9Very low31.6Very low208 Ų208146.7 Ų146.790%0.90477%0.769SS**  trans178.659.7162.5-105.7166.3-177.1-177.90113.1
1216S29.8Very low31.5Very low117 Ų117144.1 Ų144.182%0.81877%0.772SS**  trans-161.1142.3171-41.50000106.4
1217E34.5Very low31.2Very low169 Ų169146.3 Ų146.379%0.7977%0.769SS**  cis-134.21393.5-65.2177.4113.500108
1218I30.3Very low31.1Very low148 Ų148147.3 Ų147.376%0.75976%0.763SS**  43.7112.6100.5-46.7169.9000114
1219L36.1Very low31.1Very low152 Ų152152.7 Ų152.780%0.79678%0.775SS**  -175119.8119.9-100.3168.1000109.2
1220D34.4Very low31.1Very low73 Ų73149.7 Ų149.739%0.3977%0.769SS.*  trans-139.5139.9155.7-151.415.6000109.5S1450D1220-S1450 PolarHBondContact OD1-N 3.45Å; D1220-S1450 PolarHBondContact OD1-OG 2.72Å; D1220-S1450 PolarHBondContact OD2-N 2.56Å
1221D35.1Very low31.5Very low74 Ų74149 Ų14940%0.39677%0.772SS.*  trans50.3156.4-176.9-69.1-44.5000121.9N1448D1221-N1448 PolarHBondContact OD2-ND2 2.91Å
1222S29.1Very low31.6Very low89 Ų89147.9 Ų147.962%0.62277%0.774SS**  trans-121.5-179.8-168.457.40000111.6
1223Q32.7Very low31.6Very low153 Ų153145.7 Ų145.772%0.71577%0.766SS**  trans77.656167.9-46-162.834.800118.4
1224M30.7Very low31.5Very low188 Ų188147.1 Ų147.193%0.92676%0.764SS**  trans-124.440.1151.2-88-69.7173.500112.5
1225L33.9Very low31.5Very low159 Ų159148.2 Ų148.283%0.83277%0.766SS**  trans-130.560.4175.3-81.8177.3000113.1
1226L28.1Very low31.4Very low181 Ų181145.5 Ų145.595%0.94876%0.757SS**  trans-116.561.2155.8-134.888.5000110.6
1227K28Very low31.3Very low169 Ų169145.6 Ų145.674%0.73576%0.756SS**  trans-156.3139.9174.6-116.4164.1-170.3167.90111.5
1228H33Very low31Very low167 Ų167143.8 Ų143.877%0.77376%0.757SS**  trans67.956.9170-49.9-64.5000118.5
1229L29.3Very low30.9Very low178 Ų178144.3 Ų144.393%0.93276%0.761SS**  trans-122.4106.3131.8-75.3179.9000109.4
1230S28.8Very low30.4Very low110 Ų110140.5 Ų140.577%0.76976%0.759SS**  trans-146.6152.3171.6-116.90000107.9
1231P38.3Very low30Very low119 Ų119143 Ų14377%0.77378%0.78SS**  -106.3159.6-112.5-2.322.6000113.4
1232N31.5Very low29.6Very low148 Ų148145.8 Ų145.879%0.79180%0.8SS**  trans-125.9121.1166.4-89.9-57.3000111.2
1233N29.2Very low29.6Very low147 Ų147148 Ų14879%0.78681%0.81SS**  trans65.4109.8158.4-59.2-15.7000119.1
1234E29.6Very low29.4Very low151 Ų151146 Ų14671%0.70681%0.807SS**  trans-48.4148.1165.9-54.6161.484.300114.2Q1236E1234-Q1236 HydrophobicContact CB-CG 4.43Å; E1234-Q1236 PolarHBondContact OE1-NE2 2.89Å
1235F29.8Very low29.2Very low213 Ų213142.9 Ų142.993%0.93480%0.799SS**  trans-110.9114.5147.3-98.3-90.9000108.6
1236Q26.7Very low29.1Very low151 Ų151141.9 Ų141.971%0.70680%0.799SS**  trans-93.9118172.9-66.2-174.74.200110.6E1234E1234-Q1236 HydrophobicContact CB-CG 4.43Å; E1234-Q1236 PolarHBondContact OE1-NE2 2.89Å
1237C27.8Very low29.3Very low119 Ų119138.4 Ų138.480%0.80479%0.786SS**  trans-142.689.3162.9-81.70000106.7
1238V29.1Very low29.4Very low131 Ų131136.7 Ų136.779%0.79479%0.79SS**  70.5100.991.6175.80000112.7
1239N27Very low29.2Very low158 Ų158134.6 Ų134.685%0.84579%0.792SS**  trans34.3107.6154-67.3-1.6000120.1
1240G26.4Very low29.4Very low73 Ų73134.6 Ų134.675%0.75379%0.788SS**  80.9100.899.800000117.9
1241C25.3Very low29.6Very low124 Ų124137.7 Ų137.784%0.83880%0.795SS**  trans-13292.5156.8-84.20000109.5V1243C1241-V1243 PolarHBondContact O-N 3.26Å
1242T26.8Very low29.3Very low134 Ų134137.1 Ų137.182%0.82279%0.789SS**  trans-74.291.9174.9-38.10000109.5V1244T1242-V1244 HydrophobicContact CG2-CG2 4.35Å; T1242-V1244 PolarHBondContact O-N 2.89Å
1243V30.3Very low29.5Very low135 Ų135138.8 Ų138.882%0.81879%0.792SS**  trans-82.599.3173.6-178.10000108.8C1241C1241-V1243 PolarHBondContact O-N 3.26Å
1244V28.5Very low29.4Very low110 Ų110137.8 Ų137.867%0.66780%0.795SS**  trans-77.2129.3174.6177.10000109.9T1242T1242-V1244 HydrophobicContact CG2-CG2 4.35Å; T1242-V1244 PolarHBondContact O-N 2.89Å
1245V26.3Very low29.4Very low123 Ų123141.4 Ų141.475%0.74580%0.804SS**  trans2114.2161.9-172.50000116.7
1246T31.1Very low29.7Very low138 Ų138136.2 Ų136.285%0.84779%0.792SS**  trans-127.3139.5149.348.50000109.9
1247T32.2Very low29.9Very low109 Ų109137.2 Ų137.267%0.66980%0.801SS**  trans-83.3144.9-165.248.50000114.4
1248T30.9Very low30.2Very low132 Ų132136.5 Ų136.581%0.8180%0.796SS**  trans33.690.9146.859.10000117.5
1249C29.2Very low30.3Very low123 Ų123137.6 Ų137.683%0.83180%0.796SS**  trans-93.9120.2161.2-720000110.1
1250Q32.5Very low30.4Very low178 Ų178136.4 Ų136.483%0.83279%0.787SS**  trans-75.2125.3171.5-69.4176.3-24.200109.9T1252Q1250-T1252 PolarHBondContact O-N 3.09Å
1251L33Very low30.7Very low176 Ų176139.7 Ų139.792%0.92179%0.787SS**  trans-92.674.2179-81.7165.1000111.3
1252T31.6Very low30.8Very low107 Ų107143.2 Ų143.266%0.65678%0.783SS**  trans-126.254.3-178.442.10000112.9Q1250Q1250-T1252 PolarHBondContact O-N 3.09Å
1253H35.4Very low31.1Very low182 Ų182142.8 Ų142.884%0.84378%0.78SS**  trans-124.5130.4169.6-72.2-21.8000111.8
1254C28.6Very low31.3Very low127 Ų127143.6 Ų143.686%0.85878%0.779SS**PPolyproline II helixtrans-76143-173.3-53.80000112.2
1255Y29.3Very low31.4Very low226 Ų226144.1 Ų144.189%0.88679%0.785SS**PPolyproline II helixtrans-72.1133.9165.9-79-90.1000110.4
1256P36.6Very low31.6Very low105 Ų105146.7 Ų146.768%0.68279%0.793SS**PPolyproline II helixtrans-79130.8-175.430.1-34.4000112.7C1258P1256-C1258 PolarHBondContact O-N 3.24Å; P1256-C1258 PolarHBondContact O-SG 3.29Å
1257L30.8Very low31.4Very low172 Ų172147.4 Ų147.490%0.90179%0.792SS**  trans-6792.9169.3-88.8162.1000110.7I1259L1257-I1259 PolarHBondContact O-N 2.74Å; L1257-I1259 VanDerWaalsContact O-N 3.1Å
1258C32.9Very low31.2Very low104 Ų104149.9 Ų149.970%0.70380%0.796SS**  trans-76.694176.3-63.20000110.4P1256 M1260P1256-C1258 PolarHBondContact O-N 3.24Å; P1256-C1258 PolarHBondContact O-SG 3.29Å; C1258-M1260 PolarHBondContact O-N 3.23Å
1259I32.4Very low31.2Very low153 Ų153148.7 Ų148.779%0.78579%0.789SS**  trans-67.3113.7171.2-62.1177.5000108.5L1257 D1261L1257-I1259 PolarHBondContact O-N 2.74Å; L1257-I1259 VanDerWaalsContact O-N 3.1Å; I1259-D1261 PolarHBondContact O-N 3.01Å
1260M29.1Very low31.2Very low133 Ų133148.1 Ų148.166%0.65578%0.778SS**  trans-84.889.3-177.6-78.3-82.4-7300111.2C1258 R1262C1258-M1260 PolarHBondContact O-N 3.23Å; M1260-R1262 PolarHBondContact O-N 2.94Å
1261D31.2Very low30.9Very low143 Ų143143 Ų14377%0.76576%0.761SS**  trans-61.4103.4167.9-95.7-37.9000110.6I1259I1259-D1261 PolarHBondContact O-N 3.01Å
1262R28.8Very low30.7Very low197 Ų197140.4 Ų140.474%0.74374%0.744SS**  trans-105.365176.3-76.7-173.7167.9-179.4-1.2111.3M1260 L1264M1260-R1262 PolarHBondContact O-N 2.94Å; R1262-L1264 PolarHBondContact O-N 3.38Å
1263T32.8Very low30.7Very low125 Ų125142.5 Ų142.577%0.76775%0.746SS**  trans-70.5107.9165.8410000109.6
1264L33.6Very low30.5Very low153 Ų153139.8 Ų139.880%0.80174%0.738SS**PPolyproline II helixtrans-70.8147.1173-96.986.1000110.9R1262 L1266R1262-L1264 PolarHBondContact O-N 3.38Å; L1264-L1266 PolarHBondContact O-N 3.36Å
1265P31.3Very low30.4Very low121 Ų121140.7 Ų140.779%0.78673%0.73SS**PPolyproline II helixtrans-70.9131.5-174.728.2-34.7000112.4
1266L30.9Very low30.6Very low176 Ų176136.3 Ų136.392%0.92172%0.722SS**PPolyproline II helixtrans-66.4137.6159.4-78.6155.1000109.1L1264L1264-L1266 PolarHBondContact O-N 3.36Å
1267N27.4Very low30.1Very low153 Ų153139.8 Ų139.882%0.81873%0.729SS**  trans-111.9152.7166-161.77.2000109.8
1268E27.7Very low30.4Very low161 Ų161138.7 Ų138.775%0.75273%0.729SS**  trans-75.4157.4-162.4-55.6175.8126.200113.5
1269T30.4Very low30.2Very low108 Ų108141.1 Ų141.166%0.66374%0.735SS**  162.8159.498.146.90000112.9
1270N29.3Very low30.3Very low111 Ų111141.6 Ų141.659%0.59474%0.738SS**  trans79146.1144.7-65.3-32.3000122.3P1665N1270-P1665 HydrophobicContact CB-CB 3.48Å; N1270-P1665 VanDerWaalsContact CB-CB 3.48Å; N1270-P1665 HydrophobicContact CB-CG 3.4Å; N1270-P1665 VanDerWaalsContact CB-CG 3.4Å; N1270-P1665 VanDerWaalsContact CG-CG 3.4Å; N1270-P1665 WeakPolarHBondContact OD1-CG 3.42Å
1271S26.2Very low30.3Very low70 Ų70138.5 Ų138.549%0.4974%0.74SS.*  -166.1155.6-55.8-158.80000110.4
1272H28.4Very low30.3Very low122 Ų122138.9 Ų138.957%0.56575%0.747SS**  trans62.8160.4166-52-58.6000117.7N1664H1272-N1664 PolarHBondContact CD2-OD1 2.65Å
1273H31.8Very low30.2Very low151 Ų151136.5 Ų136.570%0.69975%0.748SS**  cis-152.815212.8-120.8-61.3000110.8
1274N30.8Very low29.9Very low124 Ų124137.3 Ų137.366%0.66375%0.746SS**  trans56.3168.2150.6-73.434.4000121
1275E26.5Very low29.7Very low146 Ų146136.7 Ų136.768%0.68275%0.748SS**  cis-178.7158.2-49-116.1-178.8174.500108.1
1276N33.1Very low29.4Very low135 Ų135137.1 Ų137.172%0.72274%0.744SS**  trans67.9128.2175.8-50.1-48000115.8
1277Q25.8Very low29.5Very low178 Ų178136.6 Ų136.683%0.83274%0.742SS**  cis97.7100.630.3-173.6-177.669.500113.8
1278T37.5Very low29.6Very low148 Ų148135.6 Ų135.691%0.90874%0.737SS**  trans-155.5155.8150.725.70000109.4
1279D29.3Very low29.9Very low156 Ų156134.1 Ų134.183%0.83473%0.734SS**  trans-114.3-166.4-167.8-147.7-37.1000111.8
1280I35Very low30Very low163 Ų163135.4 Ų135.484%0.83674%0.737SS**  trans89.7131.1170.6-49.6169.3000115.3
1281G27.9Very low29.9Very low67 Ų67135.9 Ų135.969%0.69174%0.74SS**  trans-125.8-179.4179.500000114.8
1282V32.1Very low29.9Very low152 Ų152138.9 Ų138.992%0.92175%0.75SS**  trans-137.1156.6-177.7178.20000110.6
1283I27.1Very low29.8Very low147 Ų147137.1 Ų137.175%0.75475%0.748SS**  trans-109.4142.1-166.9-69.6171.2000112.9
1284I24.9Very low29.4Very low142 Ų142135.4 Ų135.473%0.72875%0.753SS**  trans9.1130.1152.9-51.4163.1000118.2
1285T29.8Very low29.2Very low139 Ų139132.8 Ų132.885%0.85374%0.742SS**  trans-158.9147.2134.8-72.40000110.4
1286N24.8Very low29.2Very low131 Ų131132.6 Ų132.670%0.70174%0.744SS**  trans-70.8156.3-179.9-54.7-27.1000112.7
1287N33.4Very low28.6Very low164 Ų164131.7 Ų131.788%0.87774%0.743SS**  -166.2167.8110.2-97.8-17000113.5
1288N30.7Very low28.5Very low132 Ų132128.6 Ų128.671%0.70674%0.736SS**  trans-79.3164.3-157.5-120.143.7000116.4
1289D33.4Very low27.8Very low130 Ų130129.9 Ų129.970%0.69574%0.736SS**  trans78132.5146.9-56.6-30.9000123.2
1290D32.2Very low27.7Very low136 Ų136128 Ų12873%0.72773%0.731SS**  trans6993.3155.1-67.7-26.7000122.8
1291N26.8Very low27.1Very low121 Ų121126 Ų12665%0.64773%0.731SS**  79.379.5128.1-64.1-58.5000120
1292N27.3Very low27.2Very low132 Ų132128.7 Ų128.771%0.70674%0.735SS**  66.4103.9117.8-65.2-25.9000119.9
1293T26.1Very low27.1Very low86 Ų86128.2 Ų128.253%0.52873%0.732SS.*  40.7126.1122.5570000118.9T1295T1293-T1295 HydrophobicContact CG2-CG2 4.34Å
1294S22.9Very low27Very low114 Ų114128.8 Ų128.880%0.79774%0.735SS**  cis54.260.99.565.20000117.2
1295T26.5Very low27.1Very low70 Ų70129.9 Ų129.943%0.42974%0.739SS.*  trans-136.498.9159.918.80000109.3W679 T1293W679-T1295 WeakPolarHBondContact CH2-O 2.99Å; T1293-T1295 HydrophobicContact CG2-CG2 4.34Å
1296I25.6Very low27.1Very low141 Ų141129.6 Ų129.672%0.72374%0.737SS**  74.99891.2-72.5167.5000110.3
1297V22.5Very low27.1Very low117 Ų117128.1 Ų128.171%0.70973%0.733SS**  74.4104.674.41730000112.5
1298T22.8Very low26.7Very low113 Ų113126.5 Ų126.569%0.69373%0.729SS**  trans40107.9135.6-43.40000119T1300T1298-T1300 PolarHBondContact O-N 3.25Å; T1298-T1300 VanDerWaalsContact O-N 3.11Å; T1298-T1300 PolarHBondContact O-OG1 2.86Å; T1298-T1300 VanDerWaalsContact O-OG1 3.12Å
1299L23.1Very low26.6Very low174 Ų174125.1 Ų125.191%0.91173%0.73SS**  trans-29.2110.8152.2-67.4159.2000112.4
1300T26Very low26.2Very low117 Ų117124.4 Ų124.472%0.71873%0.731SS**  trans-128.2109.1172.8-54.50000108.7T1298T1298-T1300 PolarHBondContact O-N 3.25Å; T1298-T1300 VanDerWaalsContact O-N 3.11Å; T1298-T1300 PolarHBondContact O-OG1 2.86Å; T1298-T1300 VanDerWaalsContact O-OG1 3.12Å
1301S24.1Very low25.8Very low120 Ų120123.8 Ų123.884%0.83973%0.732SS**  trans-72.6130.8-176.7-510000111.8
1302T29.2Very low25.8Very low125 Ų125124.6 Ų124.677%0.76774%0.742SS**  trans-139.4128.1162.743.60000110.1
1303T29.3Very low25.5Very low142 Ų142123.3 Ų123.387%0.87174%0.742SS**  trans-123.2107.8169.5-57.50000107.4
1304I26.6Very low25.4Very low159 Ų159126 Ų12682%0.81576%0.758SS**  trans-126.6130.7170.5-63.5-175.7000109.5
1305M26.2Very low25.6Very low165 Ų165125.9 Ų125.981%0.81376%0.757SS**  trans-47.5156.8178.6-59169.2168.100116.5
1306T30.5Very low25.4Very low132 Ų132129.9 Ų129.981%0.8178%0.781SS**  trans-135.192140.8-41.40000106.9
1307T24.6Very low25.6Very low101 Ų101128.2 Ų128.262%0.6278%0.782SS**  43.7110.2101.651.80000114.4
1308T25Very low25.7Very low129 Ų129127.7 Ų127.779%0.79178%0.784SS**  82.290.775.1-57.70000113.9
1309S28.4Very low25.9Very low103 Ų103129.1 Ų129.172%0.7279%0.786SS**  trans-172.5105.6146.453.90000108.8
1310T24Very low26Very low115 Ų115123.5 Ų123.571%0.70676%0.761SS**  57.9116.374.667.30000115.6
1311T24.8Very low26.3Very low124 Ų124121.3 Ų121.376%0.76175%0.747SS**  trans53.7120.5147.754.50000120.2
1312T26.6Very low26.5Very low138 Ų138118.8 Ų118.885%0.84773%0.725SS**  -155.7146.9106.1-75.10000109.2
1313C20.9Very low26.4Very low105 Ų105116.9 Ų116.971%0.70971%0.707SS**  trans-115.8166.3175.4-60.80000110.5
1314T23.7Very low26.3Very low142 Ų142118 Ų11887%0.87170%0.702SS**  trans55.298.6161.551.70000118.2
1315S27Very low26.4Very low112 Ų112115.2 Ų115.278%0.78370%0.696SS**  trans-145.298.6143.160.50000109.5
1316V22.7Very low26.8Very low153 Ų153112.9 Ų112.993%0.92769%0.694SS**  trans-84.8123.6164.8178.20000106.8
1317S29.2Very low27.1Very low106 Ų106112 Ų11274%0.74169%0.69SS**  trans-135.4125175.8-66.20000110.3
1318S25.4Very low27.3Very low107 Ų107116.3 Ų116.375%0.74870%0.703SS**  trans-64.7153.5166.751.70000111.9
1319I26.6Very low27.4Very low143 Ų143117.8 Ų117.873%0.73370%0.701SS**  -171.2159.7124.4-105.4162.6000110.7L654L654-I1319 HydrophobicContact CD1-CG2 4.13Å
1320S25.3Very low27.3Very low56 Ų56120.6 Ų120.639%0.39270%0.703SS.*  trans-154.5165.4176.960.80000112.7D652 K653D652-S1320 WeakPolarHBondContact CB-OG 3.47Å; D652-S1320 WeakPolarHBondContact OD2-CB 3.21Å; D652-S1320 PolarHBondContact OD2-OG 3.49Å; K653-S1320 CarbonylContact O-C 3.38Å; K653-S1320 WeakPolarHBondContact O-CA 3.44Å; K653-S1320 WeakPolarHBondContact O-CB 3.1Å
1321T32.5Very low27.7Very low70 Ų70124.6 Ų124.643%0.42971%0.71SS.*BIsolated β-bridgetrans-146.4160.8176.158.70000112.9D652 K653 L654D652-T1321 VanDerWaalsContact CA-O 3.3Å; D652-T1321 WeakPolarHBondContact CA-O 3.48Å; D652-T1321 VanDerWaalsContact CB-C 3.49Å; D652-T1321 WeakPolarHBondContact CB-O 2.93Å; D652-T1321 WeakPolarHBondContact OD1-CA 3.37Å; D652-T1321 PolarHBondContact OD1-N 3.36Å; D652-T1321 PolarHBondContact OD2-N 3.47Å; K653-T1321 WeakPolarHBondContact CA-O 3.15Å; K653-T1321 WeakPolarHBondContact CB-O 3.19Å; K653-T1321 VanDerWaalsContact CD-O 3.27Å; K653-T1321 WeakPolarHBondContact CD-O 3.22Å; K653-T1321 WeakPolarHBondContact CG-O 3.28Å; K653-T1321 PolarHBondContact O-N 3.29Å; L654-T1321 HydrophobicContact CG-CG2 4.47Å
1322N27.5Very low27.8Very low68 Ų68128.5 Ų128.536%0.36472%0.717SS.*  trans-81.7-107.9-140.9-159.7-106.2000122.8Q651 D652 K653Q651-N1322 PolarHBondContact O-ND2 2.84Å; Q651-N1322 PolarHBondContact OE1-ND2 3.39Å; D652-N1322 WeakPolarHBondContact OD1-CA 3.22Å; D652-N1322 WeakPolarHBondContact OD1-CB 3.23Å; D652-N1322 PolarHBondContact OD1-N 3.44Å; K653-N1322 WeakPolarHBondContact CD-O 3.1Å; K653-N1322 WeakPolarHBondContact CE-O 3.39Å; K653-N1322 WeakPolarHBondContact CG-O 3.42Å
1323H27.2Very low28.1Very low85 Ų85130.2 Ų130.239%0.39472%0.715SS.*  trans-117.1178.8-157.5-114-87.7000118.7Q651 K653Q651-H1323 PolarHBondContact NE2-CD2 3.24Å; Q651-H1323 PolarHBondContact NE2-NE2 3.05Å; K653-H1323 VanDerWaalsContact CE-C 3.46Å; K653-H1323 WeakPolarHBondContact CE-O 3.26Å; K653-H1323 PolarHBondContact NZ-O 3.14Å
1324H27.3Very low28.4Very low164 Ų164134.9 Ų134.976%0.75972%0.724SS**  trans1.8163.5150.2-70.7-22.3000121.2
1325S28.5Very low28.9Very low101 Ų101133 Ų13371%0.70672%0.717SS**  cis-170.1165.6-5.943.20000109.7
1326P34.8Very low28.9Very low116 Ų116137.8 Ų137.875%0.75372%0.719SS**  trans-74.8178.6166.535.5-39.2000112
1327P38.3Very low29.2Very low113 Ų113138 Ų13873%0.73471%0.714SS**  cis-129.4175.52.842.5-28.4000115.3
1328H28.5Very low29.3Very low192 Ų192138.7 Ų138.789%0.88971%0.714SS**  trans-155.4155.9139.1-128.2-85.7000112.4
1329Q26.4Very low29.5Very low160 Ų160142.6 Ų142.675%0.74872%0.717SS**  trans-123.1159.9177.5-158.5-176.26200109.9
1330Q26.4Very low29.9Very low163 Ų163141.4 Ų141.476%0.76272%0.718SS**  trans66.7102.4174.3-52.5-172.61300117.3
1331F32.9Very low30Very low198 Ų198147.5 Ų147.587%0.86874%0.738SS**  trans-136150.9136.6-99.9-82.7000109.2E1333F1331-E1333 HydrophobicContact CD1-CG 4.47Å
1332K25.4Very low29.7Very low207 Ų207150 Ų15090%0.976%0.757SS**  trans-147.866.4-170.9-168.2179.1-176.5174.70110.8
1333E34.7Very low29.7Very low174 Ų174151.3 Ų151.381%0.81377%0.768SS**  trans-88.4157.6-179.2-64-163.6120.100113F1331F1331-E1333 HydrophobicContact CD1-CG 4.47Å
1334K27.3Very low29.7Very low203 Ų203153.9 Ų153.988%0.88378%0.784SS**  trans-127.9128.7171.8-70178.7176.4178.90107.9
1335S32.2Very low29.9Very low103 Ų103151.7 Ų151.772%0.7278%0.784SS**  trans-136.8104.4-178.254.80000112.9
1336Y28.2Very low30Very low212 Ų212152.1 Ų152.183%0.83178%0.778SS**  trans51.8138.3140.3-59.3-76.7000123.5
1337L29.4Very low29.7Very low158 Ų158156.7 Ų156.783%0.82778%0.78SS**  trans72.9155.8158.8-103.765000116.8
1338T31.2Very low29.5Very low119 Ų119159.7 Ų159.773%0.7379%0.789SS**  cis-130.6-131.4-3.9-40.50000111.1
1339K28.2Very low29.4Very low190 Ų190155 Ų15583%0.82678%0.777SS**  trans-158172.6-179.3-61.6-176.9-177.1170.20106.2
1340P34.8Very low29.6Very low117 Ų117156 Ų15676%0.7678%0.779SS**  cis-138.7136.17.637.1-16000118.4
1341K28.2Very low29.8Very low185 Ų185157.4 Ų157.480%0.80478%0.782SS**  56.7103.2119.8-163.7-173.4-177.2-172.50121.6T1343K1341-T1343 HydrophobicContact CG-CG2 4.5Å
1342C26Very low29.5Very low122 Ų122152.5 Ų152.582%0.82478%0.778SS**  -158.186.2127-100.20000108.8
1343T27.6Very low29.6Very low96 Ų96147.8 Ų147.859%0.58977%0.772SS**  60100.4103.650.90000114.7K1341K1341-T1343 HydrophobicContact CG-CG2 4.5Å
1344L26.5Very low29.2Very low139 Ų139145.1 Ų145.173%0.72877%0.767SS**  84.1131.971.7-81.9163.4000112.8
1345P33.4Very low29Very low118 Ų118141.1 Ų141.177%0.76676%0.76SS**  -108.115458.5-1.323.7000114.6
1346N29.3Very low28.6Very low109 Ų109140.9 Ų140.958%0.58376%0.758SS**  56.4140.975.9-74-23.3000114.5
1347R29.7Very low28.4Very low212 Ų212136.5 Ų136.580%0.875%0.754SS**  cis-173.7149.9-10.9-115.5172.9-158.6-164.51.6107.9
1348I33.7Very low28.3Very low177 Ų177134.8 Ų134.891%0.90875%0.75SS**  trans174.2159.9134.5-93.7157.8000109.9
1349S25.7Very low28Very low92 Ų92136 Ų13664%0.64375%0.747SS**  trans-162.4144.9-173.162.10000111.2
1350K30Very low28Very low182 Ų182133.6 Ų133.679%0.79174%0.739SS**  trans159144.3135.8-91156.2-172.2173.60113.4
1351K30.7Very low27.6Very low192 Ų192135.9 Ų135.984%0.83574%0.739SS**  trans59.9140.7150-62170.7178.3-170.10117.3
1352A26.5Very low27.8Very low95 Ų95136.2 Ų136.279%0.78574%0.741SS**  cis89.3121.417.500000117.1
1353S27.3Very low27.9Very low108 Ų108138.2 Ų138.276%0.75574%0.738SS**  trans7597.4164.5-166.30000120.1
1354T26.6Very low28.1Very low118 Ų118142.2 Ų142.272%0.72475%0.748SS**  51.7135.2119.8-22.30000122.3
1355T23.7Very low28.3Very low120 Ų120141.3 Ų141.374%0.73674%0.743SS**  trans77.9112150.322.70000121.6
1356S23.1Very low28.2Very low97 Ų97143.1 Ų143.168%0.67874%0.744SS**  87.3163.6124.675.50000121.5
1357T24.3Very low28.5Very low121 Ų121145.2 Ų145.274%0.74275%0.753SS**  trans71.7130.5161.450.60000120.4
1358V27.8Very low28.5Very low122 Ų122139.4 Ų139.474%0.73975%0.745SS**  trans73134.8134.3166.50000117.3
1359E25.4Very low28.5Very low143 Ų143137.8 Ų137.867%0.66874%0.738SS**  cis-163171.1-11.8-118.4-175.3126.100111.6
1360Q27Very low28.9Very low141 Ų141140.9 Ų140.966%0.65974%0.742SS**  trans54.7106.7145.6-68.9176.329.500122.6
1361Q27.8Very low29Very low164 Ų164135.8 Ų135.877%0.76673%0.73SS**  80.582.9104.2-161.6172.23.100122
1362K31.4Very low29.1Very low193 Ų193131.9 Ų131.984%0.83972%0.722SS**  trans-164.5113.7135.2-140.1177.3178.9-176.10107.2
1363Q28.8Very low29.3Very low163 Ų163133.4 Ų133.476%0.76272%0.717SS**  66.881.454.3-164.3178.34.500114.2
1364F32.6Very low29.4Very low180 Ų180137.4 Ų137.479%0.78972%0.721SS**  -155.8161.8128.1-110.3-78.2000109.2
1365D30.6Very low29.5Very low120 Ų120143 Ų14364%0.64273%0.729SS**  trans-19139.1-168.1-50-36.5000120.8
1366M30.3Very low29.7Very low156 Ų156143.5 Ų143.577%0.76873%0.732SS**  cis94141.124.3-166.8170.15300114.5
1367I35.3Very low30.1Very low154 Ų154148.8 Ų148.879%0.7974%0.742SS**  trans72.7129.1-174.6-48.4176.5000112.3
1368S30.6Very low30.1Very low89 Ų89151.8 Ų151.862%0.62275%0.748SS**  cis-169159.1-12.5610000108.1
1369D34.1Very low30.1Very low144 Ų144151.2 Ų151.277%0.7775%0.749SS**  cis-158.5-157.4-11.6-127-68.9000113.3
1370E33.4Very low30.2Very low156 Ų156149.5 Ų149.573%0.72975%0.753SS**  trans-41.2149.3178.5-69.9-146.972.300120.2
1371S32.6Very low30.2Very low76 Ų76150.4 Ų150.453%0.53176%0.762SS.*  82.9145.650.1140.30000114.6
1372T33.4Very low30.4Very low110 Ų110150.8 Ų150.868%0.67577%0.767SS**  cis-161.1169.4-14.429.40000111.9
1373N30.6Very low30.2Very low126 Ų126148.3 Ų148.367%0.67476%0.763SS**  trans59.2117.4150.7-66.6-42.1000119.7
1374K28.7Very low30.1Very low192 Ų192151.2 Ų151.284%0.83577%0.767SS**  56.3115.167.5-61.5175.1178.6170.10114.9
1375R29.2Very low29.9Very low237 Ų237147.3 Ų147.389%0.89476%0.762SS**  155.7109.4108.4-172.2174.9-165.21683.7115.2
1376V27.2Very low29.6Very low130 Ų130148.4 Ų148.479%0.78877%0.768SS**  trans15.9122.5142.9-176.20000119.3
1377K30.4Very low29.7Very low207 Ų207146.6 Ų146.690%0.977%0.765SS**  -163.3143.8129.4-111.6170.8-175.5-178.20113.1
1378Q24.5Very low29.5Very low185 Ų185147.2 Ų147.286%0.86477%0.77SS**  trans-88.4143.9165.6-57.8157.5-71.700109.5
1379S28.1Very low29.4Very low109 Ų109147 Ų14776%0.76277%0.773SS**  trans178.6135.6137.953.70000113.6
1380S28.2Very low29.4Very low108 Ų108149.3 Ų149.376%0.75578%0.776SS**  trans52.4126.4146.659.60000121.6
1381L27Very low29.4Very low160 Ų160151.7 Ų151.784%0.83878%0.784SS**  trans-59.7149.8156.6-6182.8000111.5
1382I30.9Very low29.3Very low171 Ų171157 Ų15788%0.87780%0.798SS**  trans-156.5158.8140.5-106.5156.1000109.2
1383N27.5Very low29.1Very low141 Ų141163 Ų16375%0.75481%0.809SS**  trans-97.7161.6-160.8-90.1-62.8000115.8
1384R26.9Very low28.9Very low225 Ų225163 Ų16385%0.84981%0.81SS**  trans75.8107.2149.1-78.7171.8176.5-176.8-2.2121.6
1385S28Very low29.1Very low97 Ų97161.4 Ų161.468%0.67881%0.81SS**  73.6122.5111.1-54.50000122.6
1386N25.8Very low29.2Very low144 Ų144155.9 Ų155.977%0.7780%0.799SS**  trans57.4109.3138.1-56.54.6000119.9
1387T31.7Very low29.5Very low117 Ų117156.4 Ų156.472%0.71880%0.797SS**  165.5136.1101.937.30000111.7
1388L30.9Very low29.6Very low168 Ų168155.2 Ų155.288%0.8879%0.792SS**  trans-154.3118.2153.6-153.576.3000110.9
1389A28.4Very low29.7Very low83 Ų83150.4 Ų150.469%0.68678%0.779SS**  trans-130130.717200000108.8
1390K33.7Very low29.9Very low194 Ų194151.2 Ų151.284%0.84378%0.779SS**  trans-165.497.1-179.9-116.4175.1-173.5176.40113.5
1391K32.8Very low29.8Very low205 Ų205152.7 Ų152.789%0.89178%0.779SS**  -170.5151.7114.8-103.3174.6179.9-178.80109.8
1392K31.5Very low29.8Very low189 Ų189150 Ų15082%0.82277%0.768SS**  trans-114.2145.2171.7-63.4-177.2177.1-172.20107.9
1393Y28.8Very low29.8Very low234 Ų234150.5 Ų150.592%0.91877%0.767SS**  trans-120.9158.4139.4-93.9-89.6000108.5
1394N27.6Very low29.7Very low128 Ų128151 Ų15168%0.68477%0.769SS**  trans-151.9129-167.6172.676.1000107.8
1395N32.4Very low29.9Very low157 Ų157150 Ų15084%0.8477%0.771SS**  trans-149145167.3-141.5-5.2000111.2
1396N30.9Very low29.8Very low122 Ų122149.5 Ų149.565%0.65277%0.768SS**  trans-107.4151.1-179.7-60.7-54.2000109.5
1397N34.3Very low30Very low140 Ų140149.3 Ų149.375%0.74977%0.772SS**  trans-169.2140.4130.5-99.8-42.5000113.6
1398K30.8Very low29.7Very low182 Ų182149.9 Ų149.979%0.79177%0.769SS**  14.6156.3129.5-65175.3179.6177.90120.5
1399S26.9Very low29.4Very low85 Ų85147.9 Ų147.959%0.59476%0.764SS**  cis176169.4-20.857.10000108.4
1400T32.5Very low29.5Very low126 Ų126150.6 Ų150.677%0.77377%0.772SS**  trans62.6152151.8440000119.2
1401N26Very low29.1Very low139 Ų139149.8 Ų149.874%0.74377%0.771SS**  cis-163.2148.2-24.2-163.827.9000110.3
1402V26.7Very low29.2Very low103 Ų103144.6 Ų144.662%0.62476%0.759SS**  trans27.1120.3154.9171.40000120.2
1403H31.5Very low28.9Very low181 Ų181140.3 Ų140.384%0.83875%0.753SS**  -147.9134.7118.2-118.371.3000113.4
1404N25.5Very low29Very low151 Ų151137.1 Ų137.181%0.80775%0.751SS**  trans-100.9145.4166.8-79.6-35.4000108.9
1405K30.4Very low29.2Very low205 Ų205138.2 Ų138.289%0.89175%0.75SS**  trans-148.4135.5143.6-152.9171.8-176.3-178.40111.5
1406S25.9Very low28.9Very low87 Ų87139 Ų13961%0.60875%0.746SS**  trans-98141.8175.9172.80000110.1I1408S1406-I1408 WeakPolarHBondContact OG-CG1 3.42Å
1407T30.3Very low28.8Very low139 Ų139138 Ų13885%0.85375%0.747SS**  trans-138.6135.4155.7-55.80000107.1
1408I25.6Very low28.3Very low130 Ų130142.4 Ų142.467%0.66775%0.753SS**  trans-128157.1-173.1-47.5176.8000108.4S1406S1406-I1408 WeakPolarHBondContact OG-CG1 3.42Å
1409T24.9Very low28.1Very low125 Ų125138.6 Ų138.677%0.76775%0.749SS**  trans70.6104.6158.422.50000119
1410T30.4Very low28.1Very low140 Ų140140.5 Ų140.586%0.85976%0.757SS**  -142.3103.1129.642.10000109.9
1411Q25.3Very low27.9Very low177 Ų177138.6 Ų138.683%0.82775%0.754SS**  30156.1116.5-103-15622.200121.8
1412P35.3Very low27.9Very low96 Ų96136.8 Ų136.862%0.62375%0.753SS**  -138.8175.9-7640.2-22.2000114.9
1413S24.4Very low28Very low100 Ų100136.8 Ų136.870%0.69976%0.757SS**  trans37.1113.4145.663.70000120.7
1414N32.4Very low27.9Very low166 Ų166133.5 Ų133.589%0.88875%0.754SS**  trans-152154140.1-106.9-45.1000111.4
1415K30.1Very low28.2Very low151 Ų151135.6 Ų135.666%0.65776%0.759SS**  trans62128.5-172.8-66.6-170174.6-170.90117.1
1416K25.8Very low28.2Very low173 Ų173134.4 Ų134.475%0.75276%0.757SS**  trans-83.4161.2158-61175.1166.8-1780108.4
1417P29.3Very low28.6Very low103 Ų103138 Ų13867%0.66977%0.769SS**  -133.7140.380.735.7-24.1000114.9
1418R24.6Very low28.8Very low231 Ų231140.7 Ų140.787%0.87277%0.769SS**  trans-168.9154.3150.5-162.8161.5-175.1176.92.8110.1
1419S25.9Very low29.2Very low102 Ų102142.9 Ų142.971%0.71378%0.778SS**  trans66.9130.1-159.762.80000110.8
1420T28.1Very low29.5Very low126 Ų126142.6 Ų142.677%0.77378%0.781SS**  -157.1143.251.5-54.80000113.5
1421A27.4Very low29.8Very low85 Ų85142.7 Ų142.770%0.70278%0.776SS**  trans60.1179.815400000118.7
1422S25.9Very low30.2Very low102 Ų102140.4 Ų140.471%0.71377%0.77SS**  -163.2163.3-50.8-86.80000110.2
1423S28.8Very low30.2Very low102 Ų102142.9 Ų142.971%0.71377%0.773SS**  trans47.895155.554.20000118
1424S30.2Very low30.7Very low112 Ų112144.2 Ų144.278%0.78377%0.772SS**  65.5103.478.477.90000115.7
1425H31.8Very low31Very low195 Ų195141.2 Ų141.290%0.90377%0.771SS**  trans-118141.5141.8-140.760.8000108.8
1426E30Very low31.4Very low181 Ų181141.1 Ų141.185%0.84678%0.777SS**  trans-78.4138.4178-61.9-179119.300109.8
1427N33.6Very low31.7Very low162 Ų162144.2 Ų144.287%0.86679%0.786SS**  trans-142.1153.6148.1-139.5-21.9000111.8
1428K35.3Very low31.9Very low195 Ų195144.7 Ų144.785%0.84879%0.792SS**  trans-90.3149.1-157.6-71.1174.5-179.1169.60113.5
1429M32.8Very low32.2Very low177 Ų177137 Ų13787%0.87278%0.784SS**  trans-71.3136.2170-65.9169.8169.900110.9
1430S31.9Very low32.3Very low118 Ų118137.7 Ų137.783%0.82579%0.789SS**  trans24.3113.8146.360.70000118.8
1431D36.4Very low32.4Very low142 Ų142141.5 Ų141.576%0.75979%0.791SS**  trans-146.2127.6158.7-162.614.2000109.8
1432N33.5Very low32.5Very low129 Ų129144.4 Ų144.469%0.6979%0.79SS**  trans47.9122.6179.1-49.3-63.8000118.5
1433Q35.6Very low33Very low149 Ų149142.9 Ų142.970%0.69679%0.791SS**  67.1124.850.2-67.6-61.7107.600115.8
1434D35.4Very low33.1Very low127 Ų127143.6 Ų143.668%0.67979%0.791SS**  trans58.192.9142.8-47.1-25.9000119.1
1435A39.3Very low33.1Very low104 Ų104143 Ų14386%0.8679%0.786SS**  trans-133.799.2153.600000108.9
1436D37.3Very low33Very low148 Ų148139.1 Ų139.179%0.79177%0.772SS**  trans-66.4152.8-169.6-75-71.7000115.8S1438D1436-S1438 PolarHBondContact O-N 3.2Å
1437Y32Very low32.9Very low239 Ų239134.2 Ų134.294%0.93776%0.758SS**  trans-91.882.3173.7-163.6-85000111.4
1438S34.9Very low32.8Very low113 Ų113132.9 Ų132.979%0.7975%0.751SS**  trans-174.4157.2159.353.40000110.2D1436D1436-S1438 PolarHBondContact O-N 3.2Å
1439G30.8Very low32.6Very low69 Ų69127.6 Ų127.671%0.71174%0.739SS**  cis-175.3154.3-2.900000111.4
1440S28Very low32.5Very low117 Ų117120.9 Ų120.982%0.81871%0.709SS**  trans-40.5129.6174.549.90000117.1
1441Y28.7Very low32.5Very low205 Ų205124 Ų12480%0.80471%0.71SS**  trans-147.9115.3143-139.8-107.3000107.1
1442E31.3Very low32.3Very low146 Ų146120.9 Ų120.968%0.68270%0.699SS**  62.7138.373.6-66.1-151.5134.800114.4
1443G35.5Very low32Very low71 Ų71123.2 Ų123.273%0.73271%0.706SS**  trans112.964.4-158.500000110.7
1444V30.4Very low31.6Very low117 Ų117121.2 Ų121.271%0.70971%0.709SS**  5891.650.7-176.30000111.8
1445S29.9Very low31.5Very low99 Ų99121.2 Ų121.269%0.69272%0.719SS**  trans52.2107.6142.9-55.60000120.5
1446N29.4Very low31Very low113 Ų113120.1 Ų120.160%0.60472%0.717SS**  -136.3113.9126.8-130.230.2000107
1447S29.1Very low30.9Very low79 Ų79117.2 Ų117.255%0.55271%0.714SS**  76.653.350.7-49.80000113.9S1449S1447-S1449 PolarHBondContact O-N 3.45Å
1448N31.1Very low30.6Very low134 Ų134111.2 Ų111.272%0.71771%0.707SS**  trans-77.296.6154.1-99.277.7000110D1221D1221-N1448 PolarHBondContact OD2-ND2 2.91Å
1449S31.3Very low30.4Very low84 Ų84109.9 Ų109.959%0.58770%0.698SS**  trans-65.8-177.7136.8-104.20000109.1S1447S1447-S1449 PolarHBondContact O-N 3.45Å
1450S29.9Very low30.4Very low36 Ų36113.8 Ų113.825%0.25270%0.701SS.*  cis-160.2122.5-15.242.90000111.7D1220D1220-S1450 PolarHBondContact OD1-N 3.45Å; D1220-S1450 PolarHBondContact OD1-OG 2.72Å; D1220-S1450 PolarHBondContact OD2-N 2.56Å
1451H33.1Very low30.8Very low183 Ų183112.7 Ų112.785%0.84768%0.683SS**  trans-144.193151.1-105.160000105.8
1452S30.7Very low30.9Very low76 Ų76106.9 Ų106.953%0.53167%0.67SS.*  cis57.799.543.2-71.70000113.4
1453Q28.5Very low30.9Very low179 Ų179102.5 Ų102.584%0.83665%0.652SS**  trans72.3148.9145.1-57.8176.227.800117.9
1454S26.6Very low30.7Very low107 Ų107101.7 Ų101.775%0.74864%0.635SS**  cis-162.2122.2-23.350.20000110.6
1455S34.2Very low30.7Very low127 Ų12798.9 Ų98.989%0.88862%0.618SS**  trans-154134.8162.257.10000109.6
1456G28.8Very low30.8Very low81 Ų81100.1 Ų100.184%0.83562%0.616SS**  cis147.439.54.600000113.3
1457A34Very low30.7Very low87 Ų87100.7 Ų100.772%0.71963%0.629SS**  trans-152.9130.917300000106.9
1458S27.3Very low30.9Very low112 Ų112104.2 Ų104.278%0.78364%0.637SS**  cis62.397.247.5-51.20000110.4
1459S29.4Very low30.8Very low86 Ų86102.5 Ų102.560%0.60164%0.636SS**  92.7107.884.2-175.20000112.5Y751Y751-S1459 VanDerWaalsContact OH-CA 3.28Å; Y751-S1459 WeakPolarHBondContact OH-CA 3.2Å; Y751-S1459 PolarHBondContact OH-OG 3.37Å; Y751-S1459 VanDerWaalsContact OH-OG 3.08Å
1460L31.6Very low30.9Very low150 Ų150106.5 Ų106.579%0.78565%0.649SS**  trans166.842.2150.4-94.6167.9000112.4Y751 P1462Y751-L1460 VanDerWaalsContact CZ-N 3.29Å; Y751-L1460 VanDerWaalsContact OH-CA 3.31Å; Y751-L1460 WeakPolarHBondContact OH-CA 3.24Å; Y751-L1460 PolarHBondContact OH-N 2.68Å; L1460-P1462 WeakPolarHBondContact O-CD 2.89Å
1461E36.3Very low30.9Very low95 Ų95110 Ų11044%0.44467%0.674SS.*  56.6-81.6103.7101.5-71.8-30.600105.5C750 Y751 R752 D1463C750-E1461 CarbonylContact C-O 3.21Å; C750-E1461 WeakPolarHBondContact CA-O 3.2Å; C750-E1461 WeakPolarHBondContact CB-O 3.25Å; Y751-E1461 VanDerWaalsContact CB-CB 3.49Å; Y751-E1461 WeakPolarHBondContact CB-O 3.4Å; Y751-E1461 HydrophobicContact CD1-CB 2.31Å; Y751-E1461 HydrophobicContact CD1-CG 3.85Å; Y751-E1461 WeakPolarHBondContact CD1-O 3.41Å; Y751-E1461 HydrophobicContact CD2-CB 2.3Å; Y751-E1461 HydrophobicContact CD2-CG 2.78Å; Y751-E1461 WeakPolarHBondContact CD2-O 3.32Å; Y751-E1461 HydrophobicContact CE1-CB 2.32Å; Y751-E1461 HydrophobicContact CE1-CG 3.83Å; Y751-E1461 HydrophobicContact CE2-CB 2.31Å; Y751-E1461 HydrophobicContact CE2-CG 2.75Å; Y751-E1461 WeakPolarHBondContact CE2-OE1 3.15Å; Y751-E1461 HydrophobicContact CG-CB 2.31Å; Y751-E1461 HydrophobicContact CG-CG 3.38Å; Y751-E1461 PolarHBondContact N-O 2.95Å; Y751-E1461 VanDerWaalsContact N-O 3.12Å; Y751-E1461 VanDerWaalsContact OH-CB 3.24Å; Y751-E1461 WeakPolarHBondContact OH-CB 3.47Å; Y751-E1461 PolarHBondContact OH-N 3.05Å; Y751-E1461 PolarHBondContact OH-OE1 2.83Å; R752-E1461 WeakPolarHBondContact O-CG 3.08Å; E1461-D1463 PolarHBondContact O-N 3.05Å
1462P29.5Very low31.3Very low82 Ų82107.4 Ų107.453%0.53267%0.673SS.*  trans-93.2115.3-137.527.7-22.7000118.3Y751 L1460Y751-P1462 VanDerWaalsContact CD2-CA 3.49Å; Y751-P1462 HydrophobicContact CD2-CB 3.75Å; Y751-P1462 HydrophobicContact CD2-CG 3.99Å; Y751-P1462 HydrophobicContact CE2-CG 4.22Å; L1460-P1462 WeakPolarHBondContact O-CD 2.89Å
1463D31.4Very low31.6Very low55 Ų55110.2 Ų110.229%0.29469%0.688SS.*  33.8146.6115.1-50-15.2000121R748 W749 C750 Y751 E1461R748-D1463 CarbonylContact O-C 3.57Å; R748-D1463 WeakPolarHBondContact O-CA 3.32Å; R748-D1463 PolarHBondContact O-N 3.04Å; W749-D1463 HydrophobicContact CE3-CB 3.66Å; W749-D1463 VanDerWaalsContact CE3-OD1 3.31Å; W749-D1463 HydrophobicContact CZ3-CB 3.84Å; C750-D1463 PolarHBondContact N-OD1 3.43Å; Y751-D1463 PolarHBondContact N-OD1 3.37Å; E1461-D1463 PolarHBondContact O-N 3.05Å
1464S32.2Very low31.9Very low54 Ų54110 Ų11038%0.37868%0.684SS.*  cis-147.912618.6-38.60000112.1I747 R748I747-S1464 WeakPolarHBondContact CB-O 3.5Å; I747-S1464 VanDerWaalsContact CG2-O 3.29Å; I747-S1464 WeakPolarHBondContact CG2-O 2.92Å; R748-S1464 PolarHBondContact O-N 3.16Å
1465T30.4Very low32.4Very low57 Ų57113.4 Ų113.435%0.3569%0.687SS.*  -175.4148.8126.839.10000112.4I747 W749I747-T1465 VanDerWaalsContact CA-OG1 3.32Å; I747-T1465 WeakPolarHBondContact CA-OG1 3.3Å; I747-T1465 WeakPolarHBondContact CB-OG1 3.39Å; I747-T1465 PolarHBondContact N-OG1 3.38Å; I747-T1465 VanDerWaalsContact N-OG1 3.16Å; I747-T1465 PolarHBondContact O-OG1 3.06Å; W749-T1465 VanDerWaalsContact CD1-O 3.23Å; W749-T1465 PolarHBondContact N-O 3.04Å; W749-T1465 VanDerWaalsContact NE1-C 3.25Å
1466L32.1Very low32.3Very low125 Ų125114.7 Ų114.765%0.65468%0.679SS**  trans-140.9122.3156.3-105.2171.7000101.6W749 E1468W749-L1466 VanDerWaalsContact CD1-CB 3.46Å; L1466-E1468 VanDerWaalsContact C-N 3.35Å; L1466-E1468 PolarHBondContact O-N 2.85Å
1467S28.3Very low32.6Very low126 Ų126121 Ų12188%0.88168%0.679SS**  trans-99.566.6169.3-64.40000108.4
1468E32.9Very low32.4Very low153 Ų153123.3 Ų123.372%0.71569%0.685SS**  trans-119.1123.8172.5-169.3165.3-130.400110L1466 L1470L1466-E1468 VanDerWaalsContact C-N 3.35Å; L1466-E1468 PolarHBondContact O-N 2.85Å; E1468-L1470 PolarHBondContact O-N 2.83Å
1469S28.1Very low32.6Very low98 Ų98125.1 Ų125.169%0.68568%0.679SS**  trans-64.4124.5170.345.60000109.5
1470L32.8Very low32.7Very low167 Ų167130.4 Ų130.487%0.87469%0.691SS**  4765.174.2-66.9179.9000114.2E1468E1468-L1470 PolarHBondContact O-N 2.83Å
1471S31.7Very low32.5Very low110 Ų110130.7 Ų130.777%0.76969%0.688SS**  trans-165.2113.7144.4-790000107.1
1472P41Very low32.2Very low129 Ų129129.5 Ų129.584%0.83869%0.69SS**  -142.3166.368.235.4-16.5000116.5
1473T36Very low32.8Very low135 Ų135133 Ų13383%0.82870%0.703SS**  trans-160163.2-176.129.80000110.4
1474K34.5Very low33.2Very low173 Ų173132.5 Ų132.575%0.75270%0.704SS**  cis179146-27.5178.6173.5-179.2-178.80107.9
1475H38.4Very low33.6Very low179 Ų179137 Ų13783%0.82972%0.723SS**  trans-97146.2179.8-83.3-97.9000115.2
1476H31Very low33.7Very low155 Ų155137 Ų13772%0.71872%0.719SS**  trans-153.3152.8159.3-92.8-87000107.5
1477Y35.6Very low34.3Very low212 Ų212136.7 Ų136.783%0.83171%0.713SS**  cis75.181.24.5-76.7-87.8000119.6
1478T30.6Very low35.1Very low137 Ų137136.7 Ų136.784%0.8470%0.703SS**  -172.5145.4123.7-72.40000109.9
1479F30.2Very low35.9Very low149 Ų149135.2 Ų135.265%0.65470%0.704SS**  trans-123.696.2-175.2-150.2-89000111.5
1480K31.4Very low36.4Very low198 Ų198136.4 Ų136.486%0.86171%0.708SS**  trans-164160.1164.3-130-177.1-176.2-176.60113.6
1481H27.4Very low36.8Very low156 Ų156135 Ų13572%0.72270%0.701SS**  trans-48.6153.4165.2-96.9-76.6000114.3
1482S31.5Very low37.6Very low69 Ų69135.4 Ų135.448%0.48370%0.695SS.*  trans39.9131.1137-50.10000118.8Q841Q841-S1482 PolarHBondContact NE2-OG 2.92Å; Q841-S1482 PolarHBondContact OE1-OG 2.8Å
1483I40.8Very low37.3Very low157 Ų157134.2 Ų134.281%0.80568%0.681SS**  cis-124.8124.132.9-72.5169.9000108.3
1484S39.7Very low37.2Very low44 Ų44130 Ų13031%0.30866%0.657SS.*  52.753.469.2-910000113.6I839 Q841I839-S1484 WeakPolarHBondContact CG2-OG 3.13Å; Q841-S1484 PolarHBondContact NE2-OG 3.3Å
1485D41.6Very low37.9Very low147 Ų147122.6 Ų122.679%0.78663%0.627SS**  -110.2165.6111.1-124.8-45.1000111.6
1486Q32.9Very low37.6Very low59 Ų59118.9 Ų118.928%0.27662%0.621SS.*  trans-86.2-179.9-161.9-154.7169.637.700113.8E837 S838 I839E837-Q1486 VanDerWaalsContact C-NE2 3.33Å; E837-Q1486 PolarHBondContact O-NE2 3.17Å; E837-Q1486 PolarHBondContact O-OE1 2.87Å; S838-Q1486 VanDerWaalsContact C-NE2 3.26Å; S838-Q1486 PolarHBondContact O-NE2 3.29Å; S838-Q1486 VanDerWaalsContact O-NE2 3.14Å; I839-Q1486 HydrophobicContact CB-CG 4.49Å; I839-Q1486 HydrophobicContact CD1-CB 4.04Å; I839-Q1486 HydrophobicContact CG1-CB 3.51Å; I839-Q1486 HydrophobicContact CG1-CG 3.58Å
1487K43.4Very low37.6Very low117 Ų117116.6 Ų116.651%0.50962%0.623SS.*  trans72.6129.9155.8-80.6135.1177.6157.50115.1E837E837-K1487 WeakPolarHBondContact OE2-CE 3.38Å; E837-K1487 IonicContact OE2-NZ 2.76Å; E837-K1487 PolarHBondContact OE2-NZ 2.8Å
1488N46.6Very low37.4Very low127 Ų127114.4 Ų114.468%0.67963%0.626SS**  cis-158.41625.9-115.2-11000111.9
1489T48.2Very low37.6Very low121 Ų121111.9 Ų111.974%0.74261%0.613SS**  trans38.2107.7152.756.80000117.3
1490T39Very low37.6Very low124 Ų124111.7 Ų111.776%0.76162%0.619SS**  cis-164.8142.939.6-69.30000113.7
1491N40.6Very low37.5Very low136 Ų136107.9 Ų107.973%0.72761%0.613SS**  trans-6.4163.9157.9-56.2-9.7000122.4
1492N48.4Very low38Very low119 Ų119107.7 Ų107.764%0.63662%0.616SS**  cis-177.1158-21.1-88-21.7000109.1
1493N36.4Very low37.9Very low105 Ų105112.9 Ų112.956%0.56163%0.632SS**  trans-170.5-173.2163.6-114.16.8000114.2Q845 D847Q845-N1493 CarbonylContact C-O 3.17Å; Q845-N1493 WeakPolarHBondContact CB-O 3.18Å; Q845-N1493 CarbonylContact O-C 3.58Å; D847-N1493 HydrophobicContact CB-CB 3.77Å; D847-N1493 VanDerWaalsContact CB-ND2 3.27Å; D847-N1493 WeakPolarHBondContact CB-ND2 3.4Å; D847-N1493 PolarHBondContact OD2-ND2 3.18Å
1494S32Very low38Very low46 Ų46112.4 Ų112.432%0.32263%0.631SS.*  trans-151.7120.6-160.154.60000126.8Q845 D847 F848Q845-S1494 VanDerWaalsContact C-CA 3.43Å; Q845-S1494 VanDerWaalsContact CD-CB 3.45Å; Q845-S1494 PolarHBondContact O-N 2.98Å; D847-S1494 CarbonylContact C-O 3.47Å; D847-S1494 WeakPolarHBondContact CA-O 3.16Å; D847-S1494 VanDerWaalsContact N-N 3.18Å; F848-S1494 PolarHBondContact N-O 3.2Å
1495S50.1Low38.2Very low17 Ų17118.5 Ų118.512%0.11965%0.654CS.*  trans-160.4157.1175.1-76.80000121.2M846 D847 F848M846-S1495 VanDerWaalsContact O-CB 3.22Å; M846-S1495 WeakPolarHBondContact O-CB 3.45Å; M846-S1495 PolarHBondContact O-OG 2.74Å; D847-S1495 VanDerWaalsContact C-OG 3.32Å; F848-S1495 WeakPolarHBondContact CA-OG 3.27Å; F848-S1495 VanDerWaalsContact CB-OG 3.24Å; F848-S1495 WeakPolarHBondContact CB-OG 3.29Å; F848-S1495 WeakPolarHBondContact CD1-OG 3.43Å; F848-S1495 WeakPolarHBondContact CD2-OG 3.12Å; F848-S1495 WeakPolarHBondContact CG-OG 3.22Å; F848-S1495 PolarHBondContact N-OG 3.15Å
1496S32.8Very low37.7Very low101 Ų101116.3 Ų116.371%0.70665%0.651SS**  trans178.3123142.160.60000117.9F848F848-S1496 VanDerWaalsContact CE2-CA 3.49Å
1497S30Very low37.8Very low107 Ų107115.3 Ų115.375%0.74865%0.65SS**  trans33.2139.216657.10000128.5
1498N32.4Very low37.6Very low167 Ų167112.1 Ų112.189%0.89364%0.639SS**  trans-161.6-152.2149.5-155.740.5000114.5
1499S33.4Very low36.6Very low83 Ų83106.4 Ų106.458%0.5861%0.608SS**  trans-127.5174.4-158.768.90000120.4
1500N30.5Very low36Very low146 Ų146104.3 Ų104.378%0.78159%0.591SS**  trans89.3171.8160.4-58.616.2000121.6
1501T28.9Very low36Very low118 Ų118104.9 Ų104.972%0.72459%0.588SS**  -167.4176.3-58.9-51.60000110.9
1502I39.5Very low36.7Very low152 Ų152102.3 Ų102.378%0.77957%0.573SS**  trans113.2140.4146.1-75.6176.6000124.6
1503H28.7Very low36Very low177 Ų177101.9 Ų101.982%0.81958%0.577SS**  trans45150.9155.7-104.3-75.7000128.8
1504N42.3Very low35.9Very low147 Ų147103.3 Ų103.379%0.78658%0.58SS**  trans81.1177.8146.5-141.116000119.1
1505Q44.1Very low36Very low172 Ų172107.9 Ų107.980%0.80460%0.601SS**  trans75.4160.3-177.2-67.5-166.7-9.200117.3
1506S30.4Very low35.4Very low102 Ų102112.7 Ų112.771%0.71363%0.633SS**  trans65.4158-169.786.30000111.9
1507S36Very low35.4Very low37 Ų37113.2 Ų113.226%0.25964%0.635SS.*  -84.5145.251.121.50000115Q521 D525Q521-S1507 VanDerWaalsContact CD-OG 3.31Å; Q521-S1507 VanDerWaalsContact CG-OG 3.27Å; Q521-S1507 WeakPolarHBondContact CG-OG 3.4Å; Q521-S1507 PolarHBondContact NE2-O 3.4Å; Q521-S1507 PolarHBondContact NE2-OG 3.49Å; Q521-S1507 PolarHBondContact OE1-O 2.98Å; D525-S1507 WeakPolarHBondContact OD1-CB 3.49Å; D525-S1507 WeakPolarHBondContact OD2-CB 3.35Å; D525-S1507 PolarHBondContact OD2-OG 3.14Å
1508N40.1Very low35.4Very low51 Ų51111.8 Ų111.827%0.27363%0.625SS.*  61.2174.190.8-59-44.9000113.4Q521 D525 M1510Q521-N1508 PolarHBondContact NE2-O 2.79Å; D525-N1508 PolarHBondContact OD1-ND2 2.84Å; N1508-M1510 VanDerWaalsContact C-N 3.26Å; N1508-M1510 PolarHBondContact O-N 3.13Å
1509V24.6Very low35.7Very low7 Ų7109.6 Ų109.64%0.04262%0.62CS.*  trans45.648.2166.5-143.90000113.2R520 Q521 Q524R520-V1509 HydrophobicContact CB-CG1 4.1Å; R520-V1509 HydrophobicContact CG-CG1 4.03Å; R520-V1509 PolarHBondContact NH1-O 3.24Å; R520-V1509 PolarHBondContact NH2-O 3.49Å; R520-V1509 WeakPolarHBondContact O-CB 3.4Å; R520-V1509 WeakPolarHBondContact O-CG1 3.29Å; R520-V1509 VanDerWaalsContact O-CG2 3.23Å; R520-V1509 WeakPolarHBondContact O-CG2 3.46Å; Q521-V1509 WeakPolarHBondContact O-CG2 3.32Å; Q524-V1509 VanDerWaalsContact CA-CG2 3.44Å; Q524-V1509 HydrophobicContact CB-CB 3.9Å; Q524-V1509 HydrophobicContact CB-CG1 3.61Å; Q524-V1509 HydrophobicContact CB-CG2 3.24Å; Q524-V1509 HydrophobicContact CG-CB 4.35Å; Q524-V1509 HydrophobicContact CG-CG1 4.32Å; Q524-V1509 HydrophobicContact CG-CG2 3.69Å; Q524-V1509 VanDerWaalsContact OE1-CA 3.27Å
1510M35Very low35.3Very low77 Ų77111.1 Ų111.138%0.37961%0.613SS.*  40.3138.763.2-56.7-154.6-51.700113.3R520 Q524 N1508 I1512R520-M1510 PolarHBondContact NH1-O 3.11Å; Q524-M1510 VanDerWaalsContact OE1-CE 3.23Å; N1508-M1510 VanDerWaalsContact C-N 3.26Å; N1508-M1510 PolarHBondContact O-N 3.13Å; M1510-I1512 HydrophobicContact CB-CG2 4.23Å; M1510-I1512 HydrophobicContact CG-CG2 4.01Å; M1510-I1512 VanDerWaalsContact N-CD1 3.28Å; M1510-I1512 VanDerWaalsContact N-CG1 3.32Å
1511I40.7Very low35Very low136 Ų136113.9 Ų113.970%0.69761%0.614SS**  cis-116.579.64.8-59.469.2000103.6
1512I55.2Low35Very low81 Ų81112.2 Ų112.242%0.41560%0.604SS.*  26128.278.5-41.4-173.1000113.6M1510M1510-I1512 HydrophobicContact CB-CG2 4.23Å; M1510-I1512 HydrophobicContact CG-CG2 4.01Å; M1510-I1512 VanDerWaalsContact N-CD1 3.28Å; M1510-I1512 VanDerWaalsContact N-CG1 3.32Å
1513P33.5Very low34.4Very low110 Ų110107.1 Ų107.171%0.71458%0.582SS**SBendtrans-75.2174.5-168.934.6-38.4000111.5L1515P1513-L1515 PolarHBondContact O-N 3.26Å
1514E33.3Very low34.4Very low135 Ų135102.7 Ų102.763%0.63157%0.569SS**  trans55.2-131.4179.6-39-160.8129.200108.5
1515L35.5Very low34.1Very low143 Ų14397.3 Ų97.375%0.74954%0.543SS*.SBend-71145.6-60.4-60165.5000106.5P1513P1513-L1515 PolarHBondContact O-N 3.26Å
1516C36.6Very low33.2Very low118 Ų11893.4 Ų93.480%0.79752%0.524SS*.SBendcis-147.588.338.9-59.40000112
1517C33.5Very low33.5Very low112 Ų11295 Ų9576%0.75752%0.524SS*.  trans-116.569.1170.1-82.50000111.8
1518S29.2Very low33Very low76 Ų76100.7 Ų100.753%0.53154%0.544SS..  trans-174.4168.3169.2-91.40000111.7
1519P38.8Very low33Very low122 Ų122104.7 Ų104.779%0.79257%0.565SS**SBendcis-87.1111.9-12.832-26.2000109.4
1520R23.9Very low33.3Very low115 Ų115107.9 Ų107.943%0.43459%0.588SS.*  92.2132.384.4-85.9-171.6174-154.9-6.3109.8L869L869-R1520 VanDerWaalsContact CG-NH2 3.27Å
1521Y26.1Very low33.2Very low203 Ų203109 Ų10980%0.79660%0.603SS**  cis61.6161.346.1-131.7-94.7000111.1
1522T27.3Very low32.8Very low83 Ų83110 Ų11051%0.50961%0.61SS.*  trans61142.7-174.957.20000113.4
1523S26.7Very low31.9Very low46 Ų46110.6 Ų110.632%0.32262%0.622SS.*  cis67163.533.290.60000114.2Y1762S1523-Y1762 VanDerWaalsContact CB-CE2 3.42Å
1524P29.7Very low31.8Very low83 Ų83110.8 Ų110.854%0.53963%0.625SS.*  cis-103.3178.3-8.142.7-32.3000111Y1762P1524-Y1762 VanDerWaalsContact C-C 3.41Å; P1524-Y1762 CarbonylContact C-O 3.12Å; P1524-Y1762 HydrophobicContact CB-CD1 3.68Å; P1524-Y1762 HydrophobicContact CB-CE1 3.77Å
1525S35.1Very low32.2Very low35 Ų35110 Ų11025%0.24563%0.63CS.*  cis-138.7149.837.9-25.40000116.2Y1762 E1763S1525-Y1762 CarbonylContact O-C 3.22Å; S1525-Y1762 WeakPolarHBondContact O-CA 3.32Å; S1525-Y1762 PolarHBondContact O-N 3.28Å; S1525-Y1762 VanDerWaalsContact O-N 3.11Å; S1525-E1763 WeakPolarHBondContact CA-OXT 2.9Å; S1525-E1763 WeakPolarHBondContact CB-OXT 3.3Å; S1525-E1763 PolarHBondContact N-OXT 3.21Å; S1525-E1763 CarbonylContact O-C 3.59Å; S1525-E1763 PolarHBondContact O-N 3.22Å; S1525-E1763 PolarHBondContact OG-OXT 3.29Å
1526E26.6Very low32.1Very low89 Ų89107.8 Ų107.842%0.41662%0.622SS.*  trans-73.9121136.6-53.694.7146.200107.8Y1761 Y1762E1526-Y1761 HydrophobicContact CB-CD1 3.79Å; E1526-Y1761 HydrophobicContact CB-CE1 4.33Å; E1526-Y1761 HydrophobicContact CG-CD1 3.41Å; E1526-Y1761 VanDerWaalsContact CG-CD1 3.41Å; E1526-Y1761 HydrophobicContact CG-CE1 4.29Å; E1526-Y1761 HydrophobicContact CG-CG 3.75Å; E1526-Y1761 WeakPolarHBondContact CG-O 3.49Å; E1526-Y1762 WeakPolarHBondContact OE2-CD1 3.09Å; E1526-Y1762 WeakPolarHBondContact OE2-CE1 3.28Å
1527I35.8Very low31.7Very low137 Ų137112 Ų11270%0.70363%0.627SS**  trans-126.866.8149-44.5-178.4000109.8N1529I1527-N1529 HydrophobicContact CG2-CB 4.43Å
1528K26.8Very low31.5Very low156 Ų156113.9 Ų113.968%0.67862%0.622SS**  trans-106.869.3135.7-148.3-171.1-171.8-168.40109S1530 Y1761K1528-S1530 PolarHBondContact O-N 3.39Å; K1528-S1530 PolarHBondContact O-OG 2.84Å; K1528-Y1761 HydrophobicContact CB-CE1 4.37Å
1529N40.2Very low31.5Very low134 Ų134116.4 Ų116.472%0.71763%0.63SS**  trans-71.774.8166-79.37.4000109.8I1527I1527-N1529 HydrophobicContact CG2-CB 4.43Å
1530S29Very low31Very low75 Ų75115.4 Ų115.452%0.52463%0.626SS.*  trans-53.1137.3133.843.20000107.7K1528K1528-S1530 PolarHBondContact O-N 3.39Å; K1528-S1530 PolarHBondContact O-OG 2.84Å
1531S33.8Very low31Very low101 Ų101116.2 Ų116.271%0.70664%0.638SS**  51.9130.585.4-30.90000112
1532N31.2Very low31.3Very low155 Ų155110 Ų11083%0.82963%0.625SS**  trans87141.7-165.6-51-20.7000112.6
1533S36.5Very low31.2Very low95 Ų95111.1 Ų111.166%0.66463%0.626SS**  cis-166.4150.9-11.542.40000111.8
1534S31.9Very low31Very low113 Ų113113.1 Ų113.179%0.7964%0.64SS**  trans-112.7128.5149.344.10000108.3
1535V42.1Very low31.2Very low120 Ų120113.7 Ų113.773%0.72765%0.647SS**  cis63.5126.20-175.70000114.7
1536V32.4Very low31.1Very low95 Ų95114.5 Ų114.558%0.57665%0.65SS**  trans-144.9125.2-173.8166.80000109.4K1538V1536-K1538 HydrophobicContact CG1-CB 3.78Å; V1536-K1538 HydrophobicContact CG1-CG 3.66Å
1537F28.2Very low31.6Very low207 Ų207114.9 Ų114.991%0.90866%0.662SS**  -128.6120.7118.6-81.9-77.1000105.3
1538K29.8Very low32.1Very low152 Ų152115 Ų11566%0.66166%0.662SS**  53.789.157.2-90.2-146.3162.6-167.40113.1V1536V1536-K1538 HydrophobicContact CG1-CB 3.78Å; V1536-K1538 HydrophobicContact CG1-CG 3.66Å
1539D30.5Very low33.1Very low128 Ų128113.6 Ų113.668%0.68466%0.657SS**  61.576.9125.3-41.7-23.5000116.8
1540S27.8Very low32.6Very low102 Ų102109.1 Ų109.171%0.71364%0.635SS**  trans-163.9135138.7-86.80000112.4
1541N23.5Very low33.2Very low131 Ų131109.4 Ų109.470%0.70164%0.636SS**  trans27107132.2-41.9-43.7000115.2
1542S31.8Very low33.3Very low72 Ų72107.7 Ų107.750%0.50362%0.624SS.*  -118.1112.751.554.80000114.7S1544S1542-S1544 PolarHBondContact O-N 3.37Å
1543I24.9Very low34Very low107 Ų107104.3 Ų104.355%0.54961%0.606SS.*  trans-83.661.6175.3-45.6178.8000110.3L204L204-I1543 HydrophobicContact CD1-CG2 3.97Å; L204-I1543 HydrophobicContact CD2-CD1 4.45Å; L204-I1543 HydrophobicContact CD2-CG2 4.21Å
1544S23.3Very low33.6Very low88 Ų88104.4 Ų104.462%0.61561%0.607SS**  trans-70.9146.2150.4-63.60000108.4S1542S1542-S1544 PolarHBondContact O-N 3.37Å
1545S34Very low33.2Very low96 Ų96103.9 Ų103.967%0.67160%0.601SS**  trans47.170.7165.549.70000114.7S1547S1545-S1547 VanDerWaalsContact CA-O 3.24Å; S1545-S1547 WeakPolarHBondContact CA-O 3.1Å; S1545-S1547 WeakPolarHBondContact CB-O 3.36Å
1546T33.9Very low32.3Very low51 Ų51104.1 Ų104.131%0.31360%0.602SS.*  cis-53.4136.744.6-20.70000116.3L204 M1548L204-T1546 VanDerWaalsContact CD1-CB 3.44Å; L204-T1546 HydrophobicContact CD1-CG2 3.97Å; T1546-M1548 WeakPolarHBondContact CA-O 3.24Å; T1546-M1548 WeakPolarHBondContact CG2-O 3.21Å
1547S35.4Very low31.8Very low97 Ų97104.7 Ų104.768%0.67861%0.609SS**  85.558.6-128.1-163.90000109S1545S1545-S1547 VanDerWaalsContact CA-O 3.24Å; S1545-S1547 WeakPolarHBondContact CA-O 3.1Å; S1545-S1547 WeakPolarHBondContact CB-O 3.36Å
1548M47.6Very low31.8Very low139 Ų139100.3 Ų100.369%0.68560%0.599SS**SBendcis-100.416131.9-63.8-62.6-96.300116.1T1546T1546-M1548 WeakPolarHBondContact CA-O 3.24Å; T1546-M1548 WeakPolarHBondContact CG2-O 3.21Å
1549H48.3Very low32.1Very low127 Ų12798.5 Ų98.559%0.58860%0.601SS**  trans11.7128.5157.9-57.7-53.8000122.9
1550T29.8Very low31.9Very low40 Ų4099 Ų9925%0.24560%0.603CS.*  50.379102.5-240000118.5P198 S201P198-T1550 VanDerWaalsContact O-O 3.13Å; S201-T1550 WeakPolarHBondContact CB-OG1 3.16Å; S201-T1550 WeakPolarHBondContact OG-CG2 3.26Å; S201-T1550 PolarHBondContact OG-OG1 3.2Å
1551C41.5Very low32.1Very low82 Ų8298.4 Ų98.455%0.55460%0.599SS**  trans-150.694.1168.9590000119.3P198 L200P198-C1551 HydrophobicContact CB-CB 4.17Å; L200-C1551 VanDerWaalsContact CB-C 3.43Å; L200-C1551 VanDerWaalsContact CB-N 3.26Å; L200-C1551 WeakPolarHBondContact CB-O 3.24Å; L200-C1551 VanDerWaalsContact CD1-O 3.25Å; L200-C1551 WeakPolarHBondContact CD1-O 3.42Å
1552S35.8Very low32Very low65 Ų6596.7 Ų96.746%0.45560%0.597SS.*  trans-141.9-21.5-179.162.40000124.1P198 L199 L200P198-S1552 VanDerWaalsContact C-N 3.26Å; L199-S1552 VanDerWaalsContact C-OG 3.24Å; L199-S1552 VanDerWaalsContact CA-OG 3.27Å; L199-S1552 WeakPolarHBondContact CA-OG 3.32Å; L199-S1552 VanDerWaalsContact CB-OG 3.32Å; L199-S1552 WeakPolarHBondContact CB-OG 3.2Å; L199-S1552 PolarHBondContact N-OG 3.32Å; L199-S1552 VanDerWaalsContact N-OG 3.07Å; L200-S1552 PolarHBondContact N-OG 3.37Å
1553N44.5Very low31.6Very low83 Ų83100 Ų10044%0.44461%0.609SS.*  trans-53.2136.1169.8-82-29000110.6T197 P198T197-N1553 PolarHBondContact O-ND2 3.48Å; P198-N1553 HydrophobicContact CB-CB 4.22Å; P198-N1553 VanDerWaalsContact CB-N 3.28Å
1554S29.7Very low31.9Very low97 Ų97102.6 Ų102.668%0.67862%0.622SS**  cis71.7115.549.4-168.80000114.4
1555P22.7Very low32.1Very low103 Ų103103.5 Ų103.567%0.66962%0.624SS**  cis-102.2-158.8-25.732.1-13.8000109.3
1556V24Very low31.7Very low124 Ų124106.3 Ų106.375%0.75263%0.63SS**  30.3143.783.6-154.90000114.9
1557C22Very low31.6Very low107 Ų107109.3 Ų109.372%0.72365%0.653SS**  trans67.8141.8-178.9-59.10000113.6
1558T27.5Very low31.3Very low115 Ų115112.1 Ų112.171%0.70666%0.661SS**  cis-158.8151.9-5.18.20000105
1559V35.7Very low30.4Very low114 Ų114111.3 Ų111.369%0.69166%0.664SS**  cis-144.5136.235.9174.60000106.1S1561V1559-S1561 VanDerWaalsContact CG1-OG 3.28Å; V1559-S1561 WeakPolarHBondContact CG1-OG 3.4Å
1560N25.6Very low29.4Very low138 Ų138116.1 Ų116.174%0.73868%0.677SS**  cis6845.323-15525.1000117.7
1561S32Very low29.4Very low90 Ų90121.9 Ų121.963%0.62971%0.705SS**  trans-150113.214939.30000106.1V1559V1559-S1561 VanDerWaalsContact CG1-OG 3.28Å; V1559-S1561 WeakPolarHBondContact CG1-OG 3.4Å
1562C22.7Very low28.9Very low96 Ų96122.7 Ų122.765%0.64971%0.711SS**  cis56.7108.923.6-62.80000112.5
1563N23.2Very low28.4Very low140 Ų140124.7 Ų124.775%0.74973%0.725SS**  trans66.4134.5-177-48.6-40.7000113
1564I31.4Very low27.9Very low162 Ų162126.8 Ų126.883%0.83174%0.743SS**  cis-101.5114.927.2-58164.1000112.6
1565V26Very low28Very low108 Ų108129.9 Ų129.966%0.65575%0.752SS**  trans-113.8164.1154.7-179.90000106.2
1566L25.8Very low28.3Very low154 Ų154133.4 Ų133.481%0.80676%0.759SS**  trans78.278-175.8-54.8169.6000115
1567S33Very low28.5Very low114 Ų114133.3 Ų133.380%0.79776%0.758SS**  trans-135.814.9143-70.90000112.4V1569S1567-V1569 PolarHBondContact O-N 3.03Å
1568D29.4Very low28.9Very low157 Ų157133.6 Ų133.684%0.8476%0.759SS**  trans-77.482.2-176.8-74-54.1000112.7
1569V28.8Very low28.9Very low122 Ų122133.2 Ų133.274%0.73976%0.761SS**  trans-134.9131.3158.8-1720000108.5S1567S1567-V1569 PolarHBondContact O-N 3.03Å
1570R26.8Very low28.6Very low228 Ų228132.8 Ų132.886%0.8676%0.763SS**  trans80.4126.9-170.1-47161.4-166.9-143.20.7111.3
1571L30.4Very low28.6Very low161 Ų161131 Ų13184%0.84376%0.762SS**  -147.915661.3-88.3159.7000115.1
1572S29.2Very low28.5Very low98 Ų98133.5 Ų133.569%0.68577%0.768SS**  trans50.477155.854.30000119.4
1573S26.6Very low28.6Very low107 Ų107133.7 Ų133.775%0.74877%0.77SS**  47.279.2119.4-46.80000120.4L1575S1573-L1575 PolarHBondContact O-N 3.06Å
1574P34.3Very low29.2Very low127 Ų127134.4 Ų134.483%0.82577%0.772SS**  trans-68116.8147.1-10.827.9000109Q1576P1574-Q1576 PolarHBondContact O-N 3Å
1575L30.3Very low29Very low163 Ų163133.2 Ų133.285%0.85377%0.768SS**  trans-73.7114.3-174.4-102.8152.8000112.4S1573S1573-L1575 PolarHBondContact O-N 3.06Å
1576Q29Very low29.1Very low177 Ų177132.9 Ų132.983%0.82777%0.77SS**  trans-78.5117.6173.1179.2-175.328.200110.6P1574P1574-Q1576 PolarHBondContact O-N 3Å
1577V30Very low29.5Very low121 Ų121133.5 Ų133.573%0.73377%0.774SS**  trans-135.4108.1164.5-176.90000109.3
1578P30.4Very low29.3Very low114 Ų114134.9 Ų134.974%0.7477%0.771SS**  trans-81.6133.7179.132.2-32.6000111.2
1579S27.3Very low29.5Very low106 Ų106134.9 Ų134.974%0.74177%0.771SS**  trans-107.3126.3167-67.40000109.8
1580S28.3Very low29.7Very low106 Ų106135.6 Ų135.674%0.74177%0.77SS**  trans46.1107.1171.454.30000117.2
1581S25.8Very low30.1Very low100 Ų100130.5 Ų130.570%0.69977%0.766SS**  56.590.462.985.70000114.4
1582N30.2Very low29.9Very low143 Ų143129.8 Ų129.877%0.76576%0.763SS**  174.795.3119.1-80.8-12.2000107.2
1583S25Very low30Very low99 Ų99131.6 Ų131.669%0.69277%0.769SS**  47.9106.776.8770000113.7
1584I34.8Very low30Very low155 Ų155134.2 Ų134.280%0.79577%0.77SS**  -166.9126.6110.8-93.4155.7000109.6
1585N28.7Very low29.7Very low138 Ų138132.9 Ų132.974%0.73876%0.759SS**  trans27.4110.6156.8-58.9-1.3000120.3
1586S27.2Very low29.7Very low101 Ų101132.8 Ų132.871%0.70676%0.759SS**  -8.7131.7119.454.80000116.9
1587N33.6Very low29.6Very low167 Ų167130.4 Ų130.489%0.89376%0.757SS**  -147.9147.1123-126.8-19.1000111.7
1588I29.4Very low29.6Very low142 Ų142128.1 Ų128.173%0.72875%0.751SS**  trans-95135.2-171.6-64.7161.3000109.5
1589N33.1Very low29.7Very low157 Ų157128.5 Ų128.584%0.8475%0.751SS**  trans-158.4149.7134.9-117.3-40.8000114
1590I33.4Very low29.7Very low138 Ų138127.8 Ų127.871%0.70875%0.746SS**  trans-91141-177.9-67.2169.8000108.7N1592I1590-N1592 PolarHBondContact O-N 3.45Å
1591P35.4Very low29.8Very low120 Ų120132.4 Ų132.478%0.77975%0.753SS**  trans-65.9106.5177.226.7-35.4000111.5
1592N27.1Very low29.9Very low146 Ų146133.7 Ų133.778%0.78176%0.757SS**  trans-83.5125.8168.5-172.213.8000109.7I1590 H1594I1590-N1592 PolarHBondContact O-N 3.45Å; N1592-H1594 PolarHBondContact O-N 3Å
1593V29.3Very low30.1Very low136 Ų136132.4 Ų132.482%0.82476%0.756SS**  trans-85.9107.7-179.7177.80000109.4
1594H26.6Very low30.1Very low163 Ų163133.1 Ų133.176%0.75576%0.76SS**  trans-147.9150.1175.7-147.852.7000113.9N1592N1592-H1594 PolarHBondContact O-N 3Å
1595V28Very low29.6Very low98 Ų98133.4 Ų133.459%0.59476%0.758SS**  trans58.897.6172.7-158.70000116.8
1596N32.3Very low29.5Very low161 Ų161131.7 Ų131.786%0.86176%0.757SS**  -148.2130.1105.2-101.3-31.3000111.6
1597T25.5Very low29.6Very low128 Ų128131.6 Ų131.679%0.78576%0.762SS**  trans-90178.8173.752.40000108.7
1598A29.7Very low29.5Very low73 Ų73131.2 Ų131.260%0.60376%0.76SS**  cis-157-178.916.700000112.3
1599T33.6Very low29.3Very low121 Ų121131.2 Ų131.274%0.74276%0.761SS**  trans52.4104.3155.753.30000118.1
1600S26.6Very low29.2Very low92 Ų92131 Ų13164%0.64376%0.759SS**  63.6113.965.281.80000115.4
1601F31.5Very low28.9Very low203 Ų203129.2 Ų129.289%0.8976%0.76SS**  -158.9165.4125-102.8-64.7000110.6
1602T27.4Very low28.5Very low127 Ų127131 Ų13178%0.77976%0.761SS**  trans-96.2165.7-159.319.50000114.5
1603P33.8Very low28.7Very low115 Ų115130.2 Ų130.275%0.74776%0.761SS**  trans-86.5160.3-166.235.4-37.6000114
1604C24.2Very low28.4Very low115 Ų115131.1 Ų131.178%0.77776%0.761SS**  trans-165144.9147.6-103.50000114.6
1605H26Very low28.4Very low161 Ų161128.5 Ų128.575%0.74576%0.761SS**  trans39101.7142.7-67.8-56.4000122.3
1606S26.6Very low28.6Very low102 Ų102129.4 Ų129.471%0.71377%0.769SS**  45.4139.5109.465.80000122.4
1607A27.9Very low28.8Very low99 Ų99126.7 Ų126.782%0.81876%0.76SS**  trans76.8105.4155.500000118.1
1608N31.2Very low29Very low159 Ų159127.7 Ų127.785%0.8576%0.759SS**  -147.2147121.3-146.7-12.3000111.9
1609L26.8Very low28.8Very low141 Ų141129.9 Ų129.974%0.73877%0.77SS**  trans-122.2149.5167.5-95170.9000107.7
1610N29.9Very low28.5Very low152 Ų152127.8 Ų127.881%0.81377%0.772SS**  trans68.985.2170.6-45.6-41000116
1611S27Very low28.5Very low102 Ų102131.9 Ų131.971%0.71378%0.781SS**  trans-89.5130.5145.144.70000109.6
1612I28.2Very low28.1Very low156 Ų156128 Ų12880%0.877%0.765SS**SBendtrans59.9112.7142-55.1168.6000115.4
1613T30.1Very low28.3Very low130 Ų130128.8 Ų128.880%0.79876%0.758SS**  cis-155.9127.331.5-130000113.9
1614L24.2Very low28Very low155 Ų155126.4 Ų126.481%0.81274%0.739SS**  trans-33.3158.1134.9-74.6154.5000113.9
1615S26.6Very low28.2Very low108 Ų108127.6 Ų127.676%0.75573%0.727SS**  cis-156.3-167.616.8-18.90000111.2
1616P32Very low28.2Very low117 Ų117127.9 Ų127.976%0.7673%0.726SS**  trans-121.7-134.1-158.841.3-20.7000112
1617P36.1Very low28.4Very low104 Ų104128 Ų12868%0.67573%0.727SS**  cis-132.9-148.2-22.730.5-5.1000113.3
1618I29.2Very low28.3Very low150 Ų150131.8 Ų131.877%0.76973%0.727SS**  trans86.598.3164.7-52.6165000113.6
1619S25.8Very low28.3Very low118 Ų118132.4 Ų132.483%0.82573%0.729SS**  79.5118.267-172.70000114.2
1620G27.1Very low28.5Very low77 Ų77133.1 Ų133.179%0.79473%0.732SS**  trans-178.7110.5179.200000115.5
1621H26.6Very low28.8Very low179 Ų179130.6 Ų130.683%0.82972%0.724SS**  trans-58.1130.6-174.2-89.8-125.3000118.2
1622H24.4Very low28.9Very low120 Ų120133.1 Ų133.156%0.55673%0.728SS**  39.5110.3106.5-151.6-55.6000119.2
1623F31.2Very low28.8Very low145 Ų145133.5 Ų133.564%0.63673%0.73SS**  trans-158.4155.6143.9-108.4-67.8000113.7V1185V1185-F1623 HydrophobicContact CG2-CB 3.58Å; V1185-F1623 HydrophobicContact CG2-CG 4.46Å
1624I27.4Very low28.6Very low65 Ų65131.5 Ų131.533%0.33372%0.722SS.*  trans-119147.4-178.4-66.3158.6000108.7H1181 N1183 S1184H1181-I1624 WeakPolarHBondContact ND1-CD1 3.18Å; N1183-I1624 CarbonylContact C-O 3.45Å; N1183-I1624 VanDerWaalsContact CA-O 3.32Å; N1183-I1624 WeakPolarHBondContact CA-O 3.27Å; S1184-I1624 WeakPolarHBondContact CA-O 3.47Å; S1184-I1624 PolarHBondContact N-O 2.78Å
1625R28.8Very low28.8Very low140 Ų140132.9 Ų132.953%0.52872%0.724SS.*  trans-145.9126.4157.1-161.7-175.4-85.4-129.40109.9S1184 V1185 S1186S1184-R1625 PolarHBondContact O-NH2 3.16Å; V1185-R1625 VanDerWaalsContact C-NH2 3.27Å; V1185-R1625 PolarHBondContact O-NE 3.04Å; V1185-R1625 PolarHBondContact O-NH2 3.09Å; S1186-R1625 PolarHBondContact OG-NH2 3.28Å
1626K24.8Very low28.6Very low167 Ų167133.3 Ų133.373%0.72673%0.726SS**  trans-88.3146.5176.7-64.4178177.3179.40111.7
1627S30.2Very low28.4Very low105 Ų105135.7 Ų135.773%0.73473%0.73SS**  trans-159.6105.2156.349.20000108.9
1628H27.4Very low27.9Very low177 Ų177140 Ų14082%0.81974%0.741SS**  69.498.990.8-72.3-66.7000114
1629L30.5Very low27.9Very low172 Ų172137.9 Ų137.990%0.90174%0.74SS**  -178.6135.8112-95163.1000113.2
1630I30.2Very low27.8Very low156 Ų156140.7 Ų140.780%0.874%0.74SS**  trans-148.5151.2171.1-65.2174.9000103.8
1631P36.2Very low27.7Very low99 Ų99144.6 Ų144.664%0.64374%0.741SS**  cis-122.6175.6-1637.8-24.3000113.1
1632I31Very low28.2Very low156 Ų156141.6 Ų141.680%0.874%0.738SS**  trans-139142.8138.7-62.2-172.7000108.2S1634I1632-S1634 WeakPolarHBondContact CG2-OG 3.31Å
1633I25.1Very low28.2Very low163 Ų163141.2 Ų141.284%0.83675%0.748SS**  trans-131103.2176.9-53.3170.2000108.6
1634S26.6Very low28.5Very low89 Ų89139.8 Ų139.862%0.62275%0.754SS**  trans-178.7137.6179.1490000109.4I1632I1632-S1634 WeakPolarHBondContact CG2-OG 3.31Å
1635Q28.3Very low28.4Very low184 Ų184142.1 Ų142.186%0.8678%0.776SS**  cis-127.5153.9-4-81126.3-44.900110.6
1636C22.3Very low28.2Very low117 Ų117142.4 Ų142.479%0.79179%0.788SS**  trans-107.3164.6150.7-65.10000108.4
1637I26.8Very low28.2Very low166 Ų166145.9 Ų145.985%0.85180%0.798SS**  trans73.7101172-45.8163.2000114.6
1638E26.8Very low27.8Very low195 Ų195146.3 Ų146.391%0.91180%0.796SS**  trans-132.4154.3131.7-168.4152.2-141.700108.4
1639S29.1Very low27.8Very low106 Ų106144.8 Ų144.874%0.74179%0.793SS**  trans-103.5159.2-15849.50000115.3
1640H23Very low27.6Very low177 Ų177140.7 Ų140.782%0.81979%0.792SS**  trans-73.7151.6177-73.9-88.9000114.4
1641L24.1Very low27.4Very low158 Ų158141.7 Ų141.783%0.82779%0.791SS**  trans69156164.8-8973.6000117.8
1642P37.5Very low27Very low117 Ų117143 Ų14376%0.7679%0.793SS**  cis-131.2174-16.637.4-20.1000114.9
1643S24.9Very low26.9Very low111 Ų111143.2 Ų143.278%0.77679%0.79SS**  trans-80.3-176170.7-16.70000112.7
1644P36.8Very low27.1Very low116 Ų116143.6 Ų143.675%0.75379%0.793SS**  cis-132.3158.1-21.337.2-21.9000114
1645S26.2Very low27.2Very low114 Ų114146.2 Ų146.280%0.79780%0.801SS**  trans-160.6125.5163.3-75.40000115.5
1646N24.9Very low27.2Very low145 Ų145146.3 Ų146.378%0.77580%0.801SS**  trans17.3116.7144.6-54.8-22000120.4
1647Y23.7Very low27.4Very low241 Ų241146.3 Ų146.395%0.94580%0.797SS**  trans-111137.1135.9-95.9-92.8000109
1648T23.5Very low27.3Very low113 Ų113147.7 Ų147.769%0.69380%0.798SS**  trans-146.4167.3-174.7-48.20000109.3
1649I25.9Very low27.2Very low145 Ų145144.4 Ų144.474%0.74479%0.791SS**  trans78.987.1171.2-44.3177.4000114.6K1651I1649-K1651 HydrophobicContact CG2-CB 3.99Å
1650G27.6Very low27.2Very low86 Ų86144.1 Ų144.189%0.88779%0.789SS**  trans-100.6106.7145.800000108.9
1651K25.4Very low27.5Very low177 Ų177143.5 Ų143.577%0.7779%0.791SS**  trans-150.1110.3-178.7-133.7-170.5-173.5-174.30111.3I1649I1649-K1651 HydrophobicContact CG2-CB 3.99Å
1652N27.1Very low27.6Very low128 Ų128143.2 Ų143.268%0.68479%0.789SS**  154.3141.7127.1-81.5-7.7000114.1
1653H28.8Very low27.2Very low159 Ų159148.1 Ų148.174%0.73679%0.794SS**  trans38.3105.4153.9-56.8-59.4000120.2
1654N30.8Very low27.3Very low171 Ų171147.2 Ų147.291%0.91478%0.781SS**  -148.1147.8121-108.7-43.8000110.9
1655N27.6Very low27.1Very low145 Ų145143 Ų14378%0.77575%0.753SS**  trans-91.5134.2-178.5-65.8-26.2000110.7
1656Q29.3Very low27.4Very low186 Ų186145.3 Ų145.387%0.86976%0.757SS**  trans-155.9122.6144.1-125.616574.900111.7
1657T25Very low27.5Very low116 Ų116147.9 Ų147.971%0.71276%0.756SS**  trans-100.1121.7177.2-57.70000108.8T1659T1657-T1659 HydrophobicContact CG2-CG2 4.08Å
1658F25.2Very low27.9Very low196 Ų196141.8 Ų141.886%0.8675%0.748SS**  trans-132.5110.5158.6-104.5-78.9000109.6
1659T25.3Very low28.1Very low125 Ų125144.4 Ų144.477%0.76775%0.75SS**  trans-104.7120.1177.847.70000109.7T1657T1657-T1659 HydrophobicContact CG2-CG2 4.08Å
1660S27.7Very low28.5Very low100 Ų100146.1 Ų146.170%0.69976%0.757SS**  trans-152.8114165.861.90000113.6
1661N29.5Very low28.5Very low164 Ų164149.6 Ų149.688%0.87776%0.756SS**  trans70.5101.7141.9-55.4-6.1000119.6
1662I28Very low28.9Very low152 Ų152148.8 Ų148.878%0.77976%0.758SS**  trans-81.7137.2157.2-63159.5000109
1663Y28Very low29Very low220 Ų220153.5 Ų153.586%0.86377%0.766SS**  trans-158.1101.4155.5-120.3-90.9000106.8
1664N26.6Very low29.2Very low92 Ų92152.2 Ų152.249%0.49277%0.772SS.*  83.3133.469.5-167.349.3000112.7H1272H1272-N1664 PolarHBondContact CD2-OD1 2.65Å
1665P33Very low29.1Very low28 Ų28151.5 Ų151.518%0.18277%0.768CS.*  trans-87.5177.5-165.9-6.625.1000115.9N1270N1270-P1665 HydrophobicContact CB-CB 3.48Å; N1270-P1665 VanDerWaalsContact CB-CB 3.48Å; N1270-P1665 HydrophobicContact CB-CG 3.4Å; N1270-P1665 VanDerWaalsContact CB-CG 3.4Å; N1270-P1665 VanDerWaalsContact CG-CG 3.4Å; N1270-P1665 WeakPolarHBondContact OD1-CG 3.42Å
1666N33.2Very low29.4Very low162 Ų162151.5 Ų151.587%0.86677%0.767SS**  trans-152.2168.2143.9-111.6-60000115.3
1667R26.4Very low29.5Very low200 Ų200149.7 Ų149.776%0.75576%0.763SS**  trans-95.3153.6-165.9-58.9168.1163.1-150.7-0.6115.3F1669R1667-F1669 HydrophobicContact CB-CD2 4.5Å
1668S32.9Very low29.6Very low112 Ų112150.7 Ų150.778%0.78377%0.769SS**  -174105.7124.656.30000110.3
1669F26.4Very low29.9Very low168 Ų168146.9 Ų146.974%0.73776%0.762SS**  40.3106.884.3-80.4-83.2000116R1667R1667-F1669 HydrophobicContact CB-CD2 4.5Å
1670M35Very low30.2Very low182 Ų182146.7 Ų146.790%0.89776%0.762SS**  trans-167.7129.5136-101.1-64.1-179.300109.5
1671N27.8Very low30.3Very low159 Ų159151 Ų15185%0.8577%0.771SS**  trans-97.6121.5174.9-105.1-50.4000109.7
1672I33.1Very low30.5Very low160 Ų160152.7 Ų152.782%0.82177%0.771SS**  trans-133.8122.9160.3-57.7-177.3000108.1
1673R30.3Very low30.8Very low227 Ų227151.2 Ų151.286%0.85777%0.771SS**  trans-76.6149.1179.7-75.7178.7170.6173.2-4.4111.2N1675R1673-N1675 PolarHBondContact O-N 3.08Å
1674P32.1Very low31Very low132 Ų132145.7 Ų145.786%0.85777%0.765SS**  trans-63.3136.1172.528-34.6000110.4
1675N29.8Very low31.3Very low155 Ų155149.5 Ų149.583%0.82978%0.784SS**  trans-111.4161173.5-139.7-13.5000109.6R1673R1673-N1675 PolarHBondContact O-N 3.08Å
1676L32.4Very low31.2Very low146 Ų146155.7 Ų155.776%0.76481%0.811SS**  trans-65.7147.6-162.1-84.572000115.3
1677L31.1Very low31.1Very low148 Ų148153.8 Ų153.878%0.77581%0.805SS**  trans30.6122.5154.7-83.371.9000118.9
1678T28Very low31.3Very low136 Ų136154.5 Ų154.583%0.83481%0.807SS**  trans-136.4123.5139.5-53.50000108.4
1679V31.5Very low31.2Very low117 Ų117158.1 Ų158.171%0.70981%0.809SS**  trans-72.5131.7177175.90000108.7Q1681V1679-Q1681 PolarHBondContact O-N 3.35Å; V1679-Q1681 VanDerWaalsContact O-N 3.12Å
1680P32.4Very low31.5Very low120 Ų120154.6 Ų154.678%0.77981%0.811SS**  trans-63.2114.6178.5-22.733.7000112K1682P1680-K1682 PolarHBondContact O-N 3.16Å
1681Q30Very low31.4Very low191 Ų191151.1 Ų151.189%0.89380%0.802SS**PPolyproline II helixtrans-64.7129.8161.6-74.2-176.1-24.200108.7V1679V1679-Q1681 PolarHBondContact O-N 3.35Å; V1679-Q1681 VanDerWaalsContact O-N 3.12Å
1682K32.9Very low31.6Very low199 Ų199149.8 Ų149.887%0.86580%0.803SS**PPolyproline II helixtrans-63.7141.2169.5-91-175.6173.2179.30109.6P1680P1680-K1682 PolarHBondContact O-N 3.16Å
1683P34.1Very low31.6Very low121 Ų121149.9 Ų149.979%0.78680%0.803SS**PPolyproline II helixtrans-68.8140.5-166.926.9-35.5000112.7
1684S32.3Very low31.6Very low105 Ų105150.3 Ų150.373%0.73481%0.805SS**PPolyproline II helixtrans-78.5121.2171.644.70000110.9Q1686S1684-Q1686 PolarHBondContact O-N 3.24Å
1685L33Very low31.6Very low172 Ų172151.7 Ų151.790%0.90180%0.803SS**  trans-72.288.4173.1-84.3165.4000110.6V1687L1685-V1687 PolarHBondContact O-N 3.41Å; L1685-V1687 VanDerWaalsContact O-N 3.14Å
1686Q30.4Very low31.4Very low157 Ų157150.8 Ų150.873%0.73480%0.798SS**  trans-72.996.2166-74.4-166.6-1.200110.7S1684 R1688S1684-Q1686 PolarHBondContact O-N 3.24Å; Q1686-R1688 PolarHBondContact O-N 3.21Å
1687V30.6Very low31.3Very low122 Ų122149 Ų14974%0.73980%0.795SS**  trans-76.7101.9157.2-178.90000107.7L1685 F1689L1685-V1687 PolarHBondContact O-N 3.41Å; L1685-V1687 VanDerWaalsContact O-N 3.14Å; V1687-F1689 PolarHBondContact O-N 2.9Å
1688R31.2Very low31.2Very low215 Ų215152.2 Ų152.281%0.81180%0.798SS**PPolyproline II helixtrans-67.6121.6172.1-81.9-176.7170-174-3.6110Q1686Q1686-R1688 PolarHBondContact O-N 3.21Å
1689F30.1Very low31Very low188 Ų188151.3 Ų151.383%0.82580%0.798SS**PPolyproline II helixtrans-71.1127.9154.9-76.2-91.1000108.7V1687V1687-F1689 PolarHBondContact O-N 2.9Å
1690A32.6Very low30.9Very low94 Ų94150.5 Ų150.578%0.77780%0.797SS**PPolyproline II helixtrans-85.1126.8176.600000110.5
1691P34.3Very low30.7Very low109 Ų109151.4 Ų151.471%0.70880%0.796SS**PPolyproline II helixtrans-66.4152168-1932.7000111.3I1693P1691-I1693 PolarHBondContact O-N 3.39Å; P1691-I1693 VanDerWaalsContact O-N 3.09Å
1692P31.9Very low30.8Very low132 Ų132147.7 Ų147.786%0.85779%0.791SS**  trans-67109.6179.1-19.132.3000111.9R1694P1692-R1694 PolarHBondContact O-N 3.47Å
1693I33.5Very low30.5Very low161 Ų161144.7 Ų144.783%0.82678%0.784SS**PPolyproline II helixtrans-75.7123.2170.4-62.2176.4000108.1P1691 I1695P1691-I1693 PolarHBondContact O-N 3.39Å; P1691-I1693 VanDerWaalsContact O-N 3.09Å; I1693-I1695 PolarHBondContact O-N 3.18Å
1694R29.5Very low30.2Very low237 Ų237144.2 Ų144.289%0.89478%0.784SS**PPolyproline II helixtrans-64.4117.6174.7-70.6-173.3178.5-164.90.2109.8P1692 N1696P1692-R1694 PolarHBondContact O-N 3.47Å; R1694-N1696 PolarHBondContact O-N 3.04Å
1695I31Very low29.9Very low161 Ų161144.1 Ų144.183%0.82678%0.783SS**PPolyproline II helixtrans-65.5120.3167.8-60.3167.4000107.5I1693I1693-I1695 PolarHBondContact O-N 3.18Å
1696N26.8Very low29.6Very low135 Ų135142.9 Ų142.972%0.72278%0.776SS**  trans-118.7109.8170.5-156.920.9000107.9R1694 Y1698R1694-N1696 PolarHBondContact O-N 3.04Å; N1696-Y1698 PolarHBondContact O-N 2.99Å
1697P29.4Very low29.4Very low108 Ų108140.5 Ų140.570%0.70178%0.777SS**  trans-80.2116.4-16730.3-33.9000112
1698Y28.7Very low29.4Very low216 Ų216141.5 Ų141.585%0.84778%0.783SS**  trans-102.8123.7162.1-97-87.9000110.1N1696N1696-Y1698 PolarHBondContact O-N 2.99Å
1699S25.4Very low29.2Very low117 Ų117137.6 Ų137.682%0.81878%0.783SS**  trans-126.2109.1-179.9-1780000109.9
1700S29.5Very low29.2Very low100 Ų100135.7 Ų135.770%0.69979%0.788SS**  trans-175.4113.5171.9430000106.2
1701N27.7Very low28.8Very low140 Ų140135.9 Ų135.975%0.74978%0.783SS**  cis82.179.529.1-157.625.4000115
1702S32.6Very low28.5Very low113 Ų113136.1 Ų136.179%0.7978%0.783SS**  trans-148.1117.6157.744.20000106.8
1703N26.1Very low28.3Very low135 Ų135135.2 Ų135.272%0.72278%0.775SS**  cis83.1141.246.6-78.9-21.4000115.6
1704S27.1Very low28.3Very low111 Ų111134.6 Ų134.678%0.77677%0.773SS**  trans65.8130.7-17363.60000116.2
1705S25.6Very low28.3Very low103 Ų103127.9 Ų127.972%0.7276%0.762SS**  cis96.215513.688.90000117.2
1706I28.4Very low28.3Very low146 Ų146125 Ų12575%0.74976%0.757SS**  trans76.2121.9-179.1-53.2163000112.7
1707S25.8Very low28.4Very low108 Ų108124.2 Ų124.276%0.75576%0.762SS**  cis95.795.719.2-52.20000115.8
1708T31.1Very low28.4Very low143 Ų143123 Ų12388%0.87776%0.755SS**  trans-153.3166.4164.62.30000112.3
1709T26.4Very low28.3Very low132 Ų132118.1 Ų118.181%0.8175%0.753SS**  trans-145.2132.3-166.7-47.50000110.9
1710T29.1Very low28.3Very low149 Ų149119.5 Ų119.591%0.91475%0.752SS**  trans-166178.3161.8100000114.7
1711S24.9Very low28.3Very low97 Ų97124.7 Ų124.768%0.67876%0.762SS**  trans-107.1-168.5-153.553.40000117.8
1712T27.7Very low28.4Very low115 Ų115129.7 Ų129.771%0.70677%0.77SS**  trans94.1109.1140.421.30000123.4
1713T27.7Very low28Very low113 Ų113130.9 Ų130.969%0.69377%0.766SS**  trans66.4147.4132.150.60000125.2
1714N33Very low28.1Very low148 Ų148131 Ų13179%0.79177%0.766SS**  trans70.5162.2155.2-61.9-11.6000117.7
1715S30.4Very low28.1Very low95 Ų95134.2 Ų134.266%0.66477%0.766SS**  cis-168174.2-27.4-920000110
1716S31.3Very low28.3Very low101 Ų101137.3 Ų137.371%0.70678%0.775SS**  trans57.9105.6150.952.70000121.6
1717S28.5Very low28.2Very low118 Ų118133.1 Ų133.183%0.82576%0.758SS**  37.492.5126.661.90000120.9
1718S29.1Very low28.3Very low82 Ų82133.7 Ų133.757%0.57376%0.762SS**  trans-162.8145.5136.347.40000107.8N1720S1718-N1720 VanDerWaalsContact C-N 3.34Å
1719S27Very low28.1Very low115 Ų115134.4 Ų134.480%0.80476%0.76SS**  cis68.520.238.691.60000115.3
1720N26.4Very low28.1Very low146 Ų146131.1 Ų131.178%0.78175%0.753SS**  -133.8138.5124-131.6-34.3000111.7S1718 R1722S1718-N1720 VanDerWaalsContact C-N 3.34Å; N1720-R1722 PolarHBondContact O-N 3.44Å
1721K28.9Very low27.9Very low209 Ų209129 Ų12991%0.90974%0.744SS**SBendtrans-85.976.8-155.9-66.7176.4-179.7174.90112.8
1722R29Very low28.2Very low244 Ų244130.8 Ų130.892%0.92175%0.753SS**  trans-138.841.2168.6-142.6174.1-164.2173.44.9113.3N1720N1720-R1722 PolarHBondContact O-N 3.44Å
1723I25.2Very low28Very low138 Ų138132.2 Ų132.271%0.70876%0.755SS**  trans-70.9135.6173.6-66.5175.5000109.4
1724L28.1Very low27.9Very low137 Ų137135.4 Ų135.472%0.71776%0.76SS**  trans-36.6152.1177-50.692.2000115.2
1725F26.1Very low27.6Very low180 Ų180134 Ų13479%0.78975%0.752SS**  -164.212899.9-99.4-68.3000111.3
1726N30.8Very low27.5Very low168 Ų168137 Ų13790%0.89876%0.755SS**  trans-108.596.9162.9-168.213.8000106.7
1727S25.6Very low27.2Very low58 Ų58136 Ų13641%0.40675%0.748SS.*  trans-160.9124.7-176.953.60000108.2
1728S27.7Very low27Very low119 Ų119137.4 Ų137.483%0.83275%0.746SS**  cis69.224.132.7102.50000115.1
1729L27.8Very low27Very low158 Ų158140.7 Ų140.783%0.82776%0.757SS**  trans-102154.4134.7-67.594.5000106.5
1730G25.3Very low26.9Very low64 Ų64141.1 Ų141.166%0.6675%0.75SS**  cis163.5656.900000107.9
1731S25.9Very low26.9Very low104 Ų104142.3 Ų142.373%0.72775%0.751SS**  trans52.377.6179.8-59.20000115I1733S1731-I1733 PolarHBondContact O-N 3.33Å
1732P30.8Very low27Very low135 Ų135137.8 Ų137.888%0.87775%0.745SS**  trans-63.799.4175.127.6-34.3000111.2
1733I23.9Very low26.9Very low145 Ų145130.7 Ų130.774%0.74473%0.733SS**  trans-73.2148.6165-71.4171.3000108.6S1731S1731-I1733 PolarHBondContact O-N 3.33Å
1734F24.6Very low26.9Very low180 Ų180130.1 Ų130.179%0.78974%0.736SS**  trans-14135.6159.3-69.1-108.3000115.6
1735N27.7Very low26.8Very low119 Ų119130.5 Ų130.564%0.63674%0.737SS**  -169.7164.793.5-108.9-32000116
1736H27.4Very low26.9Very low158 Ų158128.3 Ų128.373%0.73173%0.734SS**  trans35.2146.3143.4-57.1-33000121.6
1737S25.4Very low26.8Very low80 Ų80125.6 Ų125.656%0.55973%0.728SS**  cis168.8155.3-20.552.30000107.5
1738N25.1Very low27Very low146 Ų146129 Ų12978%0.78174%0.741SS**  trans67.4165.8155.4-59.9-20.8000118.6
1739L29.1Very low27.1Very low151 Ų151130.1 Ų130.179%0.79174%0.742SS**  trans66.389.6172-64148.5000113.6
1740N24.7Very low27.2Very low125 Ų125125.7 Ų125.767%0.66872%0.724SS**  78.8122.269.6-74.3-14.9000114.6
1741Q25.9Very low27.4Very low171 Ų171128.6 Ų128.680%0.79973%0.731SS**  trans58.987132.9-58.3173.54.500118.4
1742S30.7Very low27.7Very low113 Ų113130.2 Ų130.279%0.7973%0.732SS**  -143.781.7123.763.70000108.4
1743S27.2Very low28Very low95 Ų95132 Ų13266%0.66473%0.733SS**  52.493.485.276.80000113.7
1744T25.9Very low28.6Very low126 Ų126133.2 Ų133.277%0.77374%0.74SS**  52.2154.6126.5-18.90000121
1745I25.9Very low28.9Very low145 Ų145135.8 Ų135.874%0.74475%0.745SS**  trans77.390.9164.9-50.9151.9000113.8
1746D28.1Very low29.3Very low135 Ų135139.8 Ų139.872%0.72276%0.756SS**  -177.312784-119-32.1000113.2
1747S28.5Very low29.8Very low110 Ų110141.2 Ų141.277%0.76976%0.763SS**  trans-176.877.5152.4178.80000110V1749S1747-V1749 PolarHBondContact O-N 3.27Å
1748I29.1Very low30.1Very low131 Ų131148.4 Ų148.467%0.67278%0.78SS**  trans-40.1120169.7-60.9155.8000112.2S1750I1748-S1750 WeakPolarHBondContact CG2-OG 3.27Å
1749V29.6Very low30.4Very low141 Ų141151.3 Ų151.386%0.85578%0.781SS**  trans-112.7103.1153.5178.20000106.3S1747S1747-V1749 PolarHBondContact O-N 3.27Å
1750S30Very low30.7Very low66 Ų66154.5 Ų154.546%0.46279%0.785SS.*  trans-67.7146.9-159.7-41.90000114.1I1748 N1752I1748-S1750 WeakPolarHBondContact CG2-OG 3.27Å; S1750-N1752 PolarHBondContact O-N 3.35Å
1751P29.1Very low31.1Very low124 Ų124155.6 Ų155.681%0.80578%0.78SS**  trans-71.873.417331.4-36.2000112
1752N33.1Very low31.3Very low139 Ų139153.9 Ų153.974%0.74377%0.767SS**  trans-103.515177.8-93.3-35000113.7S1750S1750-N1752 PolarHBondContact O-N 3.35Å
1753L36.1Very low31.5Very low172 Ų172157.8 Ų157.890%0.90177%0.773SS**SBendtrans-105.8-0.9179.9-93.8161.9000114.9
1754L36.5Very low31.7Very low170 Ų170160.9 Ų160.989%0.8978%0.779SS**SBendtrans-10333.1175.2-72.3173.7000113.2
1755R32.6Very low32Very low234 Ų234162.7 Ų162.788%0.88378%0.779SS**SBendtrans-14240.3178.9-126.1177.6-168.5-173.83.3115.2
1756K36.1Very low32.4Very low203 Ų203163.7 Ų163.788%0.88378%0.781SS**SBendtrans-141.750172.4-76-159.6172.4-170.30114.4
1757Q36.1Very low32.6Very low188 Ų188165.4 Ų165.488%0.87978%0.784SS**SBendtrans-15015168.5-128.6162.3-5.300117
1758Y32Very low32.9Very low231 Ų231168.9 Ų168.991%0.90679%0.785SS**SBendtrans-107.962169.6-75.8-79.7000111.2
1759Y32Very low33.1Very low207 Ų207171.4 Ų171.481%0.81279%0.793SS**  trans-158.354.4172.3-89.6-66.6000110.6
1760Y35.3Very low33.4Very low219 Ų219173.6 Ų173.686%0.85979%0.788SS**SBendtrans-158.953.4163.4-96.9-59.3000111
1761Y32.1Very low33.7Very low148 Ų148181.8 Ų181.858%0.5881%0.814SS**SBendtrans-144.563.5163.2-111.5-43.5000105.4E1526 K1528E1526-Y1761 HydrophobicContact CB-CD1 3.79Å; E1526-Y1761 HydrophobicContact CB-CE1 4.33Å; E1526-Y1761 HydrophobicContact CG-CD1 3.41Å; E1526-Y1761 VanDerWaalsContact CG-CD1 3.41Å; E1526-Y1761 HydrophobicContact CG-CE1 4.29Å; E1526-Y1761 HydrophobicContact CG-CG 3.75Å; E1526-Y1761 WeakPolarHBondContact CG-O 3.49Å; K1528-Y1761 HydrophobicContact CB-CE1 4.37Å
1762Y31.1Very low34Very low134 Ų134186.7 Ų186.753%0.52581%0.814SS.*  trans-179.349.7-174.9-93.3-19.8000112S1523 P1524 S1525 E1526S1523-Y1762 VanDerWaalsContact CB-CE2 3.42Å; P1524-Y1762 VanDerWaalsContact C-C 3.41Å; P1524-Y1762 CarbonylContact C-O 3.12Å; P1524-Y1762 HydrophobicContact CB-CD1 3.68Å; P1524-Y1762 HydrophobicContact CB-CE1 3.77Å; S1525-Y1762 CarbonylContact O-C 3.22Å; S1525-Y1762 WeakPolarHBondContact O-CA 3.32Å; S1525-Y1762 PolarHBondContact O-N 3.28Å; S1525-Y1762 VanDerWaalsContact O-N 3.11Å; E1526-Y1762 WeakPolarHBondContact OE2-CD1 3.09Å; E1526-Y1762 WeakPolarHBondContact OE2-CE1 3.28Å
1763E35.5Very low34.1Very low195 Ų195191 Ų19191%0.91182%0.821SS**  trans-132.40152.3-176.1179.7-106.600111.2S1525S1525-E1763 WeakPolarHBondContact CA-OXT 2.9Å; S1525-E1763 WeakPolarHBondContact CB-OXT 3.3Å; S1525-E1763 PolarHBondContact N-OXT 3.21Å; S1525-E1763 CarbonylContact O-C 3.59Å; S1525-E1763 PolarHBondContact O-N 3.22Å; S1525-E1763 PolarHBondContact OG-OXT 3.29Å

Retrieved 1,763 of 1,763 residues in 617 ms (Link to these results)