A0A5K4FAC9_SCHMA Loading...

Homeobox domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FAC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,634 aa.

>A0A5K4FAC9_SCHMA|A0A5K4FAC9
MECKLVEDCQHNTSLPLPTAFRNYGLYLPLSIPPDLTPMTSPLTSDPTSTVTDSKQDTPRISHNRRETPEGFTMPHNSEISPNQLNLTSETETSFMSLVPNELINLTTSTPSNCIPTVDSSVRNAKSSIDFLADINNETLMLNQSKCYTPMVFISKKASPYPLMEKMISSSQTVGSFDRKQKKDNYAQLDVISDNHDVLKWDYAGDIASHHLGVPRIISHSSLSCHPINYVDCTNYDVNTTMTWPSSSPHISPSSVYGYTVRRKYNFNTRTNSNRNQNEASLKKKGFPEFSSITINHGSFISSPDPEDELHTLPLNYSIDQINDDDDHHHPLSPLNCFNIDDEDLIKYNLNTNSSEFSLNDENDYDNIEKLNLNKSQSVIELHNHNHLDNVWKGTQSSEEYLRQHLDHLLLNIDNDINTLQTITSFNNDWLKNESPEPCIRTMKALKSIDINNQMITNDVTNKKDSDINDNNNEQETLMNHSVESNCQLVKEFNENNHNNNDELQSPLGNKQHDLSSLKTTSVLNAVEMNSLLHTKDNIPKQEISAIQSSTCSKDLSQLPLNDFNESEGMCYIVDGVLSSIQDTNNYSAITTVTPLNENICYQNGFDAESEGCRSSVIMDENCDKEVSPYCYDIHNEFDNLFIKNTDIKMNEISESFTSSIQSGILSTMTKTTISATTTTNKINICKTTQNDLLTTECKSVSDGMNVALSKVYPSILSSGIQIVTHYTTHNSPYLHYATSKIESNNLPEYVPSQYSNLSMIGHGSSHFNHVIRNIPTSLNVLSQTDTSSMKPDYCLSFSSVENKVPRNKFHQTKMVSTENNDIRKLFHIPKNSTRPTVGLPSFNSSKTSKDSPSVCHQHIRSTVTSTDNTGITPCALLTQNLNVQRNENIKPRERLTCEHPLSRDDFETSSVILSPICPKQPTSDHNHRTVQNDVKAYKMKCNSTHLCSHFEDNVKKFDTKLVQTTDLYDENECTCHHTYRIQPDNFKDSGIKTSFEWVEKLLACHTKLVNNKKYAEESMKRKMSQSVCLTPRSTLIAQMRYILLKQKLKLLHTRDAYYLRKRIVNHLEKFLEQIVSSNAPPLSNSVPDDWDTDTESLLSDLFEKDINLDDNQMNKFIPISKDLKSERNQKCRLSTDEYGEDERIHEKVLSKRSSSCDGEICGRTSQFEVAQKDVQKSGRTNKTECKDNDKQFTDITKRSENQSNQIVMHLQTGQPSLEPLSCMNFIYNDHHVKCEKLSKDHCLLNTNFQLYPSSENIVNGLCAALGGISWFQPLNEEKRQSIKNHSIVIKHSKFNDHLSLKNNSKSFNETCSNSKSVYTSKISYSIPTYKDIKNDQFDFNDIDNLNNHSLPSEGNDIYSCQCNMTESPDIINDNSQEQTVTLRSLEDMQCTNLHHMENTTLNTVDKLAYEEKRNSLSNPKITYEISDNPDGYTDIQGIFRKKMSSWISRSEERQRRLRFIIQERRYRKEKDMKRAEVLNSAVSNNFSKQPSVSHLDQSYKNHFGNGIHSNCDSRSCCCCFDRPHCSTLESVPTNRNNSNNCFKMANSDKAPKRNFIKNPSRKSQVGIRYERKQSIQKEYRPRLSHNSIQNQVNQQKIKLAQLRVNRLRMKIYSEKILRSVLHGNTSSIVFKEI
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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
1M32.2Very low32.2Very low244 Ų244165.1 Ų165.1100%1.20285%0.848SS**  0860-69.8174.5-177.200106.4
2E25.9Very low31.6Very low185 Ų185165.2 Ų165.286%0.86485%0.851SS**  trans-88.2144.7156.5-63.8165.8114.100106.1
3C33.2Very low31.7Very low124 Ų124162.8 Ų162.884%0.83885%0.85SS**  trans-119.690.9167.3-70.80000107.3L5C3-L5 PolarHBondContact O-N 3.47Å
4K31.8Very low31.3Very low191 Ų191158.1 Ų158.183%0.8384%0.837SS**  trans-68.6119.2154-74.3-176.7176.9-179.40106.5
5L38.5Very low31Very low153 Ų153158.5 Ų158.580%0.80184%0.839SS**  trans-111.3118.6153.3-84.8167.7000106.5C3C3-L5 PolarHBondContact O-N 3.47Å
6V33Very low30.9Very low114 Ų114155.4 Ų155.469%0.69183%0.831SS**  trans-110.9121.2164.6175.30000104.3
7E36Very low30.6Very low178 Ų178155.2 Ų155.283%0.83283%0.829SS**  trans-130.1118.6164.5-74.2-170.1140.400107.8
8D28Very low30.6Very low147 Ų147154.1 Ų154.179%0.78683%0.831SS**  trans-76.3131.3176.7-68.6-70.8000110.5
9C33.2Very low30.6Very low120 Ų120152.6 Ų152.681%0.81183%0.828SS**  trans-140.3101.1162.7-91.90000109.9H11C9-H11 PolarHBondContact O-N 3.47Å
10Q28.4Very low30.6Very low185 Ų185149.7 Ų149.786%0.86483%0.826SS**  trans-70.1122.4169-65.3178.6-8.600109.7
11H34Very low30.5Very low175 Ų175150.3 Ų150.381%0.8182%0.82SS**  trans-139115.3157-90.7-66.1000111.8C9 T13C9-H11 PolarHBondContact O-N 3.47Å; H11-T13 PolarHBondContact O-N 3.44Å
12N24.7Very low30.6Very low166 Ų166149.4 Ų149.489%0.88880%0.803SS**  trans-66.7121.6169.5-69.1-51.1000109.6
13T32.8Very low30.7Very low135 Ų135148 Ų14883%0.82880%0.802SS**  trans-139126.9159.6-42.80000108.8H11H11-T13 PolarHBondContact O-N 3.44Å
14S26.2Very low30.6Very low97 Ų97152.6 Ų152.668%0.67880%0.803SS**  trans-97.4170.7-17853.10000111.9
15L27.7Very low30.6Very low163 Ų163146.5 Ų146.585%0.85380%0.795SS**  trans78.6156.5171.9-53.8162.1000116.4
16P28.4Very low30.2Very low110 Ų110148 Ų14871%0.71480%0.803SS**  cis-124166.9-17.529.8-11.2000114.1P18P16-P18 WeakPolarHBondContact O-CD 3.46Å
17L26.1Very low30.3Very low152 Ų152153.1 Ų153.180%0.79681%0.811SS**  trans-70.5125167.6-89.666.6000110.9T19L17-T19 PolarHBondContact O-N 3.33Å; L17-T19 VanDerWaalsContact O-N 3.15Å
18P31.5Very low30.2Very low135 Ų135151.8 Ų151.888%0.87781%0.809SS**  trans-74.7104.7172.129.6-32.4000110.4P16P16-P18 WeakPolarHBondContact O-CD 3.46Å
19T29.4Very low30.7Very low126 Ų126150.4 Ų150.477%0.77381%0.808SS**  trans-95.6139.7-177.8-57.30000111.6L17L17-T19 PolarHBondContact O-N 3.33Å; L17-T19 VanDerWaalsContact O-N 3.15Å
20A32.2Very low30.8Very low94 Ų94152.2 Ų152.278%0.77781%0.809SS**SBendtrans69151.6169.600000118.7
21F28.4Very low31.1Very low162 Ų162149.1 Ų149.171%0.71181%0.808SS**  trans-81.8144.7-177.2-77.1-111.4000112.4
22R33.4Very low31.1Very low225 Ų225148.3 Ų148.385%0.84981%0.808SS**  trans-130.7141.1143.9-87.7-169.3169.6-166-2.7109.8
23N27.8Very low31.6Very low157 Ų157145.4 Ų145.484%0.8480%0.798SS**  trans-77.1131.3178.6-60.7-29.9000109.6
24Y32.1Very low31.8Very low219 Ų219144.9 Ų144.986%0.85980%0.797SS**  trans-104.9122.1168-75.9-81.3000109.9
25G30.5Very low32.1Very low64 Ų64147.9 Ų147.966%0.6681%0.805SS**  trans-74.9159.1164.700000111Y27G25-Y27 PolarHBondContact O-N 3.25Å
26L30.2Very low32.4Very low184 Ų184148 Ų14896%0.96381%0.806SS**  trans-71.495.7178.4-74166000111
27Y35.1Very low32.7Very low221 Ų221149 Ų14987%0.86781%0.81SS**PPolyproline II helixtrans-76.2122.5161.1-99.4-96.6000109.7G25G25-Y27 PolarHBondContact O-N 3.25Å
28L34Very low33Very low151 Ų151147.1 Ų147.179%0.79181%0.807SS**PPolyproline II helixtrans-71.1134.9167.8-80.2156.3000109.4L30L28-L30 PolarHBondContact O-N 2.89Å
29P38.1Very low33Very low117 Ų117149.8 Ų149.876%0.7681%0.81SS**PPolyproline II helixtrans-68.1129.5173.228.2-33000110
30L36.9Very low33.2Very low158 Ų158149.9 Ų149.983%0.82781%0.811SS**PPolyproline II helixtrans-63.9141.2173.2-85.772000110.2L28 I32L28-L30 PolarHBondContact O-N 2.89Å; L30-I32 PolarHBondContact O-N 2.98Å
31S33.5Very low33.1Very low120 Ų120150 Ų15084%0.83981%0.805SS**PPolyproline II helixtrans-75.4118.3176.1-52.10000110.7
32I33.6Very low33.4Very low159 Ų159148.2 Ų148.282%0.81581%0.811SS**PPolyproline II helixtrans-79.4131.3174-56.6175.9000108.8L30L30-I32 PolarHBondContact O-N 2.98Å
33P35.4Very low33.2Very low105 Ų105145 Ų14568%0.68281%0.809SS**PPolyproline II helixtrans-68.9149.6173.9-16.330.8000112.1D35P33-D35 PolarHBondContact O-N 3.29Å
34P36.6Very low33.5Very low123 Ų123143.7 Ų143.780%0.79981%0.807SS**PPolyproline II helixtrans-75.3123.9173.430.3-32.9000111.3L36P34-L36 PolarHBondContact O-N 3.17Å
35D34Very low33.5Very low160 Ų160138 Ų13886%0.85680%0.799SS**PPolyproline II helixtrans-67.1126.1175.2-96.7-42.8000112.3P33 T37P33-D35 PolarHBondContact O-N 3.29Å; D35-T37 PolarHBondContact O-N 3.26Å
36L32.7Very low33.6Very low167 Ų167143 Ų14387%0.87481%0.811SS**  trans-90.389.2175.5-75.6170000110.3P34 P38P34-L36 PolarHBondContact O-N 3.17Å; L36-P38 WeakPolarHBondContact O-CD 3.4Å
37T34.9Very low33.8Very low131 Ų131139.7 Ų139.780%0.80480%0.801SS**  trans-74.8120169.925.20000110.9D35D35-T37 PolarHBondContact O-N 3.26Å
38P33.6Very low33.8Very low112 Ų112135.5 Ų135.573%0.72780%0.798SS**  trans-81.1123.2-18031.2-33000111.4L36 T40L36-P38 WeakPolarHBondContact O-CD 3.4Å; P38-T40 PolarHBondContact O-N 2.92Å; P38-T40 VanDerWaalsContact O-N 3.09Å
39M31.1Very low33.9Very low190 Ų190133.2 Ų133.294%0.93679%0.794SS**  trans-74.797.1170-76.7-156.977.500111.3S41M39-S41 PolarHBondContact O-N 3.2Å
40T33Very low33.6Very low129 Ų129133.7 Ų133.779%0.79180%0.795SS**  trans-79.8103.9164.7500000110.6P38P38-T40 PolarHBondContact O-N 2.92Å; P38-T40 VanDerWaalsContact O-N 3.09Å
41S29.8Very low33.5Very low95 Ų95131.9 Ų131.966%0.66479%0.791SS**PPolyproline II helixtrans-87125.2168.255.80000110.9M39M39-S41 PolarHBondContact O-N 3.2Å
42P35.5Very low33.6Very low126 Ų126133 Ų13382%0.81879%0.793SS**PPolyproline II helixtrans-73.5135.1174.929.7-33.2000111.4
43L28Very low33.7Very low158 Ų158132.3 Ų132.383%0.82779%0.791SS**PPolyproline II helixtrans-87.2130169.9-85.180.8000111
44T34.8Very low33.7Very low129 Ų129131.9 Ų131.979%0.79179%0.79SS**  trans-139.694150.553.10000107
45S32.3Very low33.7Very low99 Ų99134.2 Ų134.269%0.69279%0.788SS**  70.993.274.975.10000113.9
46D31.7Very low33.8Very low169 Ų169134.4 Ų134.490%0.90478%0.783SS**  trans-161.4127.7141.2-113.4-21.1000110.9
47P36Very low33.9Very low115 Ų115132.3 Ų132.375%0.74777%0.773SS**  trans-123.8141.1-178.738.7-26.6000115.1
48T35.1Very low33.8Very low133 Ų133132 Ų13282%0.81677%0.772SS**  trans-155.4124.2160.8-8.30000114.6
49S34.5Very low33.9Very low102 Ų102131.8 Ų131.871%0.71377%0.77SS**  trans42.8136.1144.569.30000120.9
50T33.6Very low33.9Very low127 Ų127131.2 Ų131.278%0.77976%0.757SS**  cis-146.9137.622.439.70000108.6
51V33.8Very low33.7Very low121 Ų121131.2 Ų131.273%0.73375%0.751SS**  69.594.566.6-178.50000114.5
52T36.7Very low33.9Very low144 Ų144131.9 Ų131.988%0.88376%0.756SS**  trans177.6162.2130.423.20000111.1
53D35.3Very low33.9Very low144 Ų144133.5 Ų133.577%0.7775%0.752SS**  -154.2164.2-79.8-159-15000108.4
54S35.1Very low34.2Very low96 Ų96132.4 Ų132.467%0.67175%0.747SS**  trans70.9147.8167.883.40000118.3
55K36.6Very low34Very low171 Ų171136.9 Ų136.974%0.74375%0.749SS**  cis-165.2142.2-13.7-116.4173.6-174.2177.80110
56Q36.3Very low33.9Very low164 Ų164142 Ų14277%0.76675%0.754SS**  trans53.7155.7144.4-67.6179-80.300121.3
57D34.7Very low33.9Very low123 Ų123141 Ų14166%0.65874%0.744SS**  cis-163.4146-40.6-144.5-49.8000109.3
58T32.6Very low33.8Very low126 Ų126141.5 Ų141.577%0.77375%0.745SS**  trans44.1155.2159.126.80000122.7
59P36.2Very low33.9Very low106 Ų106139.8 Ų139.869%0.68874%0.736SS**  trans-131.6-168.5-159.639.3-19.7000116.6
60R30.3Very low33.8Very low179 Ų179144 Ų14468%0.67574%0.744SS**  trans112.5129.4143.8-86.4176.4162.8-171.2-7122.3D1406R60-D1406 IonicContact NH2-OD2 2.77Å
61I29.7Very low33.6Very low129 Ų129141.2 Ų141.266%0.66274%0.741SS**  trans75.7110140.4-60.7161.2000121.4
62S32.4Very low33.3Very low109 Ų109140.5 Ų140.576%0.76273%0.728SS**  179.8139.1127.226.30000107.9
63H35.4Very low33Very low160 Ų160139.3 Ų139.374%0.74172%0.721SS**  66.813055.8-65.9-40.5000112.4
64N34.5Very low33Very low135 Ų135139.3 Ų139.372%0.72272%0.718SS**  cis-138.8166.717.3-85.7-54.5000111.3
65R31.7Very low33Very low222 Ų222139.9 Ų139.984%0.83872%0.719SS**  43.6132.475.3-92.9176.8177.1172.6-0.2112.3
66R30.2Very low32.5Very low208 Ų208138.1 Ų138.179%0.78571%0.713SS**  cis-145.2-166.634.5-109.4-171.2-171.5178.6-1.2110.2
67E31.9Very low32.4Very low147 Ų147137.5 Ų137.569%0.68772%0.715SS**  cis-159.4153.127.2-147.9126.4-126.800112.5
68T33Very low32.2Very low126 Ų126135.2 Ų135.277%0.77371%0.709SS**  trans-104.6-165.8158.651.30000107.2
69P36.9Very low32Very low96 Ų96137 Ų13762%0.62371%0.708SS**  cis-139.5-149.44.438.3-12.9000113.4
70E33.2Very low31.6Very low192 Ų192139 Ų13990%0.89771%0.712SS**  trans68.2149.8168.5-64.7164.9-135.200116.1
71G29.9Very low31.3Very low68 Ų68134.8 Ų134.870%0.70171%0.71SS**  cis-173.4-178.9-3.200000111.1
72F26.4Very low31.4Very low105 Ų105133.4 Ų133.446%0.46171%0.709SS.*  trans-51.5154.2177.5-54.3-85.2000113.4M164 E165F72-M164 HydrophobicContact CD1-CE 3.76Å; F72-M164 HydrophobicContact CD1-CG 4.25Å; F72-M164 HydrophobicContact CD2-CE 4.16Å; F72-M164 HydrophobicContact CE1-CE 3.61Å; F72-M164 HydrophobicContact CE1-CG 3.55Å; F72-M164 HydrophobicContact CE1-SD 4.49Å; F72-M164 HydrophobicContact CE2-CE 4.02Å; F72-M164 HydrophobicContact CG-CE 4.05Å; F72-M164 HydrophobicContact CZ-CE 3.75Å; F72-M164 HydrophobicContact CZ-CG 4.1Å; F72-E165 WeakPolarHBondContact CZ-OE2 3.12Å
73T30.7Very low31.3Very low120 Ų120134 Ų13474%0.73670%0.704SS**  cis-164161.727.4-24.60000111.4
74M34.7Very low31.1Very low144 Ų144135.1 Ų135.171%0.70971%0.709SS**  trans-81.8146.5162-83.2-93.287.400112.3
75P35Very low30.7Very low107 Ų107134.6 Ų134.670%0.69571%0.706SS**  trans-109128.3152.733.8-24.2000111.6
76H27.6Very low30.4Very low134 Ų134129.8 Ų129.862%0.6270%0.697SS**  trans-69.5131.4162.4-85.1-96.5000110
77N34.3Very low30.2Very low151 Ų151126.3 Ų126.381%0.80769%0.693SS**  trans-128.9121.2134.2-83.9-34000105.7
78S29.3Very low29.9Very low76 Ų76124.9 Ų124.953%0.53170%0.695SS.*  cis74.3140.431.3108.80000113.5
79E29Very low29.4Very low162 Ų162123.4 Ų123.476%0.75769%0.689SS**  trans71.7122.7174.7-61.4-165.415100115.5
80I27Very low29Very low150 Ų150127.4 Ų127.477%0.76970%0.7SS**  79.313197.6-66.4171.1000111.2
81S25.2Very low28.7Very low90 Ų90123 Ų12363%0.62969%0.686SS**  cis-132.6165.712.860.50000113.4
82P31.8Very low28.5Very low100 Ų100127.2 Ų127.265%0.64969%0.687SS**  trans-64.2-170.6146.834.3-37.7000110.3
83N28.6Very low28.6Very low122 Ų122127.9 Ų127.965%0.65270%0.7SS**  trans69.179.8175.2-41.8-25.3000114
84Q31.2Very low28.4Very low182 Ų182126.8 Ų126.885%0.8570%0.698SS**  -109.8132.990.6-61.9-161.613.200106.1
85L26.6Very low27.9Very low124 Ų124129.1 Ų129.165%0.64970%0.704SS**  59.4125.556.6-55.2166000108.6
86N25.1Very low27.7Very low122 Ų122131.6 Ų131.665%0.65271%0.708SS**  cis-157.5-170.614.7-128.1-13.9000111
87L27.7Very low27.7Very low135 Ų135130.2 Ų130.271%0.70771%0.713SS**  trans20.2133136-51.4165000117.1
88T23.7Very low27.4Very low117 Ų117129.9 Ų129.972%0.71871%0.711SS**  cis-165.3159.711.11.60000111.3E90T88-E90 PolarHBondContact O-N 3.12Å
89S24.3Very low28Very low94 Ų94132.1 Ų132.166%0.65772%0.721SS**  trans-33.3112.7149.952.30000116.9
90E28.2Very low28Very low181 Ų181129.1 Ų129.185%0.84672%0.716SS**  -127.8126.5123-61.9-178.9170.700103T88T88-E90 PolarHBondContact O-N 3.12Å
91T25.7Very low28Very low98 Ų98128.4 Ų128.460%0.60171%0.713SS**  cis67.9152.54379.20000113.6
92E27.3Very low28.1Very low157 Ų157131.3 Ų131.373%0.73472%0.717SS**  trans62.2123.3179.9-75.2109-77.100116.3
93T27.3Very low27.9Very low120 Ų120132.4 Ų132.474%0.73672%0.717SS**  59121.373.5680000115.6
94S26.1Very low27.9Very low97 Ų97132.6 Ų132.668%0.67872%0.716SS**  trans59.1176.3167.673.50000115
95F25.7Very low27.9Very low192 Ų192130.7 Ų130.784%0.84271%0.712SS**  cis-136.5-170.42.2-117.7-56.6000110.9
96M29.2Very low27.8Very low160 Ų160131.9 Ų131.979%0.78872%0.718SS**  trans-60.6157.1169.2-61.9172.162.800112.5
97S28.1Very low28.2Very low104 Ų104131.7 Ų131.773%0.72772%0.722SS**  trans71.3171.4152.383.80000116.2
98L28.5Very low28.3Very low145 Ų145130.8 Ų130.876%0.75972%0.722SS**  cis-148.4166.41.8-141.7152.1000109.9
99V41.1Very low28.7Very low123 Ų123130.1 Ų130.175%0.74572%0.722SS**  trans-50.4142.8167.21780000112
100P29.9Very low29.1Very low99 Ų99131.9 Ų131.964%0.64373%0.729SS**  trans-125.3136.2134.42.220000112.7
101N26.8Very low29.4Very low134 Ų134129.1 Ų129.172%0.71773%0.727SS**  63.5127.4122.6-59.34.5000118.3
102E27.8Very low29.7Very low152 Ų152129.3 Ų129.371%0.7173%0.732SS**  cis-151.3143.120.2-74.1-150.4143.300116.3
103L27.3Very low30Very low122 Ų122128.5 Ų128.564%0.63973%0.733SS**  trans55.2121.8130.1-7552.5000124
104I28.4Very low30Very low126 Ų126128.1 Ų128.165%0.64673%0.734SS**  69.5108.9119.7-59.8172000120.3
105N31.7Very low30.3Very low142 Ų142130.5 Ų130.576%0.75974%0.738SS**  153.3105.5128.4-83.5-48.8000108.2
106L24.8Very low30.4Very low149 Ų149126.8 Ų126.878%0.7873%0.733SS**  cis73.661.921-134.2-177.4000115.5
107T31.7Very low30.5Very low118 Ų118125.3 Ų125.372%0.72473%0.733SS**  trans-126.9106.515346.90000107.4
108T30.7Very low30.5Very low116 Ų116126.2 Ų126.271%0.71273%0.734SS**  56.4129.49163.40000112.5
109S31.5Very low30.7Very low104 Ų104126.6 Ų126.673%0.72774%0.737SS**  cis-170.7162.12642.50000109
110T32.3Very low30Very low130 Ų130125.2 Ų125.280%0.79873%0.732SS**  cis-160.9159.84.75.20000109.5
111P35Very low30.1Very low123 Ų123124.3 Ų124.380%0.79973%0.729SS**  trans-111.3171.9-172.541.7-33.9000115.6
112S32.7Very low30.2Very low102 Ų102124 Ų12471%0.71373%0.731SS**  trans-166.5137155.660.80000109
113N32.8Very low30.4Very low140 Ų140126.5 Ų126.575%0.74973%0.734SS**  cis-155.1139.60.7-93.5-20000110.6
114C28.3Very low30.6Very low113 Ų113128 Ų12876%0.76474%0.743SS**  52136.4127.3-52.80000120.6
115I31.5Very low30.8Very low146 Ų146126.1 Ų126.175%0.74975%0.747SS**  cis-151.3144.610-54.5175.1000110.1
116P28.3Very low30.6Very low114 Ų114129.4 Ų129.474%0.7475%0.754SS**  trans-118.2153.6156.538-27.8000114.2
117T31.4Very low30.9Very low129 Ų129127.6 Ų127.679%0.79175%0.754SS**  trans-144.8120.3172.2-18.60000106.2
118V27.3Very low30.9Very low123 Ų123126.7 Ų126.775%0.74575%0.752SS**  cis78.483.936.4-169.20000114.1
119D32.6Very low30.9Very low153 Ų153128.1 Ų128.182%0.81875%0.754SS**  trans-173.2157.1147.3-106.7-40.5000106.8
120S27.6Very low30.7Very low94 Ų94128.2 Ų128.266%0.65775%0.746SS**  cis172.8-179.4-36.9600000105.1
121S32.6Very low30.7Very low81 Ų81132.3 Ų132.357%0.56675%0.753SS**  trans64.5103-173.3-176.60000114.5R123S121-R123 PolarHBondContact OG-NH2 3.48Å
122V27.4Very low30.4Very low127 Ų127132.8 Ų132.877%0.7775%0.748SS**  cis65.897.942.3-167.90000114.6
123R32.9Very low30.2Very low204 Ų204132 Ų13277%0.7775%0.748SS**  trans-179.1140.2136.9-104.1158.6-72.9-170.60.4114.2S121S121-R123 PolarHBondContact OG-NH2 3.48Å
124N30.8Very low30Very low153 Ų153132.1 Ų132.182%0.81875%0.749SS**  trans33.5143.2131.6-53.21.8000120.2
125A32.6Very low30.4Very low88 Ų88132.7 Ų132.773%0.72774%0.743SS**  cis-153.1165.91.200000108
126K28.4Very low30.2Very low211 Ų211132.7 Ų132.792%0.91774%0.744SS**  cis81.963.224.7-149.7-179.6-173.7-1790116.6
127S30.3Very low30.2Very low110 Ų110133.7 Ų133.777%0.76974%0.744SS**  trans-162.3150.3160.351.10000107.7
128S31.6Very low30.3Very low99 Ų99135.8 Ų135.869%0.69274%0.744SS**  cis-161.1123.12.827.90000106.5
129I30.1Very low30.3Very low146 Ų146135.2 Ų135.275%0.74974%0.741SS**  89.7117.480.8-85.2167.8000113.2
130D28.5Very low30.4Very low106 Ų106134.6 Ų134.657%0.56774%0.737SS**  trans50.6101.4142.9-49.3-11.9000121.8L132D130-L132 HydrophobicContact CB-CB 4.42Å; D130-L132 HydrophobicContact CB-CD1 4.29Å
131F32.7Very low30.5Very low216 Ų216137.3 Ų137.395%0.94774%0.741SS**  -152.383.4125.6-86.9-73.6000105.4
132L28.1Very low30.3Very low133 Ų133139.5 Ų139.570%0.69675%0.746SS**  58.8104.654.8-127.5-175.2000111.5D130D130-L132 HydrophobicContact CB-CB 4.42Å; D130-L132 HydrophobicContact CB-CD1 4.29Å
133A27.7Very low30.5Very low85 Ų85140.5 Ų140.570%0.70275%0.747SS**  trans31.2121.3163.800000119.8
134D30Very low30.3Very low143 Ų143137.7 Ų137.777%0.76574%0.743SS**  -155.4157.3114.6-124.9-19.3000115
135I35.8Very low30.3Very low125 Ų125135.9 Ų135.964%0.64174%0.742SS**  trans4794.7151.5-63.2156.5000115.9
136N28Very low30.2Very low146 Ų146138.8 Ų138.878%0.78174%0.738SS**  47.4109.763-79.9-36.3000115.9
137N28.3Very low30.2Very low136 Ų136134.6 Ų134.673%0.72773%0.734SS**  trans69.3151.5179.1-38.5-67.1000113.1
138E33.9Very low30.1Very low172 Ų172138.9 Ų138.980%0.80474%0.735SS**  cis-116.8147.98.6-61.5-179.5138.200109.2
139T27.6Very low30Very low111 Ų111140.8 Ų140.868%0.68174%0.743SS**  61.1142.756.2-55.80000113.2
140L32.8Very low29.9Very low140 Ų140138.1 Ų138.173%0.73374%0.735SS**  trans78.3135.8-177.6-42.7174.6000115.9
141M30.6Very low29.8Very low151 Ų151141 Ų14174%0.74475%0.747SS**  cis-155.1154.3-25.9-99.9-139.3-52.400110.9
142L28Very low29.6Very low127 Ų127134.5 Ų134.567%0.66573%0.725SS**  trans2.8135145.2-65145.7000117.1
143N32.6Very low29.5Very low148 Ų148136.7 Ų136.779%0.79173%0.729SS**  -149.3127.657.1-74.5-80000114.7
144Q27.4Very low29.5Very low146 Ų146139.6 Ų139.668%0.68273%0.731SS**  trans-84.4105.1155.4-69.2-178.52.800109.6K146Q144-K146 VanDerWaalsContact C-N 3.29Å; Q144-K146 PolarHBondContact O-N 3.17Å; Q144-K146 VanDerWaalsContact OE1-CE 3.3Å
145S31.7Very low29.4Very low114 Ų114136.9 Ų136.980%0.79772%0.723SS**  trans-82.866.5172.944.60000112.3C147S145-C147 PolarHBondContact O-N 3.37Å
146K29.9Very low29.1Very low149 Ų149139.9 Ų139.965%0.64873%0.732SS**  trans-69.6115.9173.9-79.2167.5168.6157.30111.7Q144Q144-K146 VanDerWaalsContact C-N 3.29Å; Q144-K146 PolarHBondContact O-N 3.17Å; Q144-K146 VanDerWaalsContact OE1-CE 3.3Å
147C29.3Very low29.3Very low124 Ų124141.8 Ų141.884%0.83873%0.733SS**  trans-129.173170.7-66.30000108.9S145S145-C147 PolarHBondContact O-N 3.37Å
148Y28.6Very low29.3Very low200 Ų200140.1 Ų140.178%0.78474%0.738SS**  69.262.765.9-134.4-62.2000114.1
149T28.2Very low29.1Very low139 Ų139137.5 Ų137.585%0.85374%0.739SS**  trans-87.5126153.4300000109.3
150P29.2Very low29.2Very low90 Ų90136.5 Ų136.558%0.58473%0.734SS**  trans-86.3124.3-167.231.6-34.6000113.4V152P150-V152 HydrophobicContact CB-CG2 4.12Å; P150-V152 HydrophobicContact CG-CG2 4.21Å; P150-V152 PolarHBondContact O-N 3.15Å; P150-V152 VanDerWaalsContact O-N 3.09Å
151M25.5Very low28.9Very low166 Ų166139.4 Ų139.482%0.81874%0.737SS**  trans-73.194.3162.8-169.8-175.4-65.900109F153M151-F153 PolarHBondContact O-N 3.5Å; M151-F153 HydrophobicContact SD-CE2 4.3Å
152V28.3Very low29Very low80 Ų80135.9 Ų135.949%0.48573%0.725SS.*  trans-81.798.1-175.2-1800000110.6P150 I154P150-V152 HydrophobicContact CB-CG2 4.12Å; P150-V152 HydrophobicContact CG-CG2 4.21Å; P150-V152 PolarHBondContact O-N 3.15Å; P150-V152 VanDerWaalsContact O-N 3.09Å; V152-I154 HydrophobicContact CG1-CG1 4.5Å; V152-I154 PolarHBondContact O-N 3Å
153F26.3Very low28.9Very low179 Ų179136 Ų13679%0.78573%0.726SS**  trans-60.7117168.7-79.1-99.9000111.5M151M151-F153 PolarHBondContact O-N 3.5Å; M151-F153 HydrophobicContact SD-CE2 4.3Å
154I28.8Very low28.8Very low146 Ų146135.4 Ų135.475%0.74972%0.72SS**  trans-100.7101160.5-61.2-174.7000108.6V152V152-I154 HydrophobicContact CG1-CG1 4.5Å; V152-I154 PolarHBondContact O-N 3Å
155S27.8Very low28.8Very low86 Ų86135.2 Ų135.260%0.60172%0.719SS**  trans-71.1136.8-179.8-179.70000113.4
156K29.1Very low28.8Very low188 Ų188138.6 Ų138.682%0.81772%0.719SS**  -164.1121.7125.4-94139.5-170.8177.80108.9
157K30.7Very low28.5Very low185 Ų185139.5 Ų139.580%0.80473%0.728SS**  54.388.886.6-64.7-168.2176.3-166.50110.8
158A29.2Very low28.7Very low101 Ų101140 Ų14084%0.83572%0.721SS**  82.8146.95100000115.1
159S29.1Very low28.6Very low118 Ų118135.7 Ų135.783%0.82572%0.72SS**  trans96.1141.7174.5-1510000117.3
160P30.8Very low28.6Very low90 Ų90134.9 Ų134.958%0.58472%0.72SS**  trans-129.8-168.2-159.228.4-2.4000116.1
161Y26.4Very low28.4Very low200 Ų200136.6 Ų136.678%0.78473%0.734SS**  trans77.5164.1169.7-66.4-80.3000117.3
162P32.3Very low28.6Very low77 Ų77137.7 Ų137.750%0.574%0.737SS.*  -138.6-173.7-7140.2-21.5000114.9
163L27Very low28.5Very low131 Ų131140.1 Ų140.169%0.68675%0.753SS**  trans51.8115.8154.3-78.6165.2000120.6
164M29.9Very low28.6Very low134 Ų134138.2 Ų138.266%0.6676%0.755SS**  -168.8153.7116.4-127-179174.300113F72F72-M164 HydrophobicContact CD1-CE 3.76Å; F72-M164 HydrophobicContact CD1-CG 4.25Å; F72-M164 HydrophobicContact CD2-CE 4.16Å; F72-M164 HydrophobicContact CE1-CE 3.61Å; F72-M164 HydrophobicContact CE1-CG 3.55Å; F72-M164 HydrophobicContact CE1-SD 4.49Å; F72-M164 HydrophobicContact CE2-CE 4.02Å; F72-M164 HydrophobicContact CG-CE 4.05Å; F72-M164 HydrophobicContact CZ-CE 3.75Å; F72-M164 HydrophobicContact CZ-CG 4.1Å
165E27.1Very low28.6Very low143 Ų143134.3 Ų134.367%0.66875%0.751SS**  trans-76.6158170.9-59.9170.2103.300112.2F72F72-E165 WeakPolarHBondContact CZ-OE2 3.12Å
166K31.2Very low28.4Very low184 Ų184135.3 Ų135.380%0.876%0.758SS**  trans-153.3109.8150.2-153.8170.9-172.2179.50113.9
167M25Very low28.4Very low169 Ų169136.2 Ų136.283%0.83376%0.762SS**  trans-76.8126.3163.8-67.6-176.6177.800110.9
168I32.7Very low28.3Very low135 Ų135132.1 Ų132.169%0.69275%0.749SS**  trans-148.397.8149.9-55.1-176.3000104.5
169S26.7Very low28.4Very low109 Ų109138.8 Ų138.876%0.76275%0.753SS**  68.383.977.1-59.70000114.7
170S27.4Very low28.5Very low122 Ų122141.2 Ų141.285%0.85375%0.749SS**  trans-157.755154.367.90000112.3
171S25.9Very low28.6Very low125 Ų125145.8 Ų145.887%0.87476%0.762SS**  trans-111.5101.4172.2-56.80000109.6
172Q28.4Very low29Very low190 Ų190145.8 Ų145.889%0.88877%0.766SS**  trans-85.3151.2159.6-82.3-178.8-32.500109.9
173T27.3Very low28.9Very low131 Ų131150.5 Ų150.580%0.80478%0.779SS**  trans-41.4151.9162.8460000112.2
174V28.7Very low29.2Very low139 Ų139151.2 Ų151.284%0.84278%0.783SS**  cis-143.615247.1173.30000107.7
175G27.8Very low29.2Very low63 Ų63151.9 Ų151.965%0.64979%0.79SS**  cis125.9115.117.600000107.7
176S25Very low29.3Very low108 Ų108155.5 Ų155.576%0.75580%0.798SS**  trans-71144.4-167.6177.80000113.2
177F27.2Very low29.3Very low206 Ų206151.3 Ų151.390%0.90480%0.799SS**  trans-119.1105.7151.2-103.7-80.1000110.3
178D30.5Very low29.5Very low100 Ų100151.4 Ų151.454%0.53580%0.797SS.*  trans-86.6126.2169.7169.820.3000109.7K180D178-K180 WeakPolarHBondContact OD1-CG 3.29Å; D178-K180 PolarHBondContact OD1-N 3.26Å; D178-K180 VanDerWaalsContact OD1-N 3.12Å; D178-K180 WeakPolarHBondContact OD2-CE 3.41Å; D178-K180 IonicContact OD2-NZ 3.94Å
179R29.8Very low29.3Very low240 Ų240152.2 Ų152.291%0.90680%0.802SS**  trans-140.173.1164-106.3-170.7-174.2-163.23112.6Q181R179-Q181 PolarHBondContact O-N 3.04Å
180K30.8Very low29.4Very low170 Ų170153.3 Ų153.374%0.73980%0.799SS**  trans-18.1126.6150-51.8169.4-171.2170.10114.1D178D178-K180 WeakPolarHBondContact OD1-CG 3.29Å; D178-K180 PolarHBondContact OD1-N 3.26Å; D178-K180 VanDerWaalsContact OD1-N 3.12Å; D178-K180 WeakPolarHBondContact OD2-CE 3.41Å; D178-K180 IonicContact OD2-NZ 3.94Å
181Q33.8Very low29.6Very low186 Ų186153.9 Ų153.987%0.86980%0.797SS**  trans-155.6121140-124.217772.300114R179R179-Q181 PolarHBondContact O-N 3.04Å
182K34.3Very low29.7Very low200 Ų200155.4 Ų155.487%0.8779%0.794SS**  trans57.8166.4165.7-72-173.9172.6-175.40118.1
183K31.2Very low29.8Very low176 Ų176150.9 Ų150.977%0.76578%0.783SS**  trans-161.9112.4-159.3171.8-163.3173-171.90107.2
184D32.1Very low30Very low145 Ų145150.3 Ų150.378%0.77578%0.775SS**  trans-110.5158.4170.6-64.2-59.7000110
185N29.6Very low30.1Very low149 Ų149149.7 Ų149.780%0.79777%0.767SS**  trans-85.1127.3-158.6-63.3-50.8000113.4
186Y30.3Very low30.4Very low218 Ų218153.8 Ų153.886%0.85577%0.769SS**  trans-111.2127.7161.4-88.7-89000110.1
187A32.1Very low31.2Very low97 Ų97152.6 Ų152.680%0.80275%0.754SS**  trans-85.4120.7175.900000111L189A187-L189 PolarHBondContact O-N 3.5Å
188Q27.6Very low32.1Very low171 Ų171148 Ų14880%0.79974%0.742SS**  trans39.770.9151.6-160.9164.6-3.200117.7D190Q188-D190 PolarHBondContact O-N 2.83Å
189L28.3Very low32.8Very low152 Ų152150.6 Ų150.680%0.79676%0.756SS**  trans-79.2107.4155.6-81.7166.2000109.5A187 V191A187-L189 PolarHBondContact O-N 3.5Å; L189-V191 PolarHBondContact O-N 3.31Å; L189-V191 VanDerWaalsContact O-N 3.16Å
190D29.8Very low33.7Very low131 Ų131145.8 Ų145.870%0.70174%0.742SS**  trans-68.4107.3169.1-90.2-8.9000110.1Q188 I192Q188-D190 PolarHBondContact O-N 2.83Å; D190-I192 PolarHBondContact O-N 2.91Å; D190-I192 VanDerWaalsContact O-N 3.15Å
191V30.5Very low34.3Very low134 Ų134146.4 Ų146.481%0.81274%0.739SS**  trans-79.795.6177.1-179.30000109.7L189L189-V191 PolarHBondContact O-N 3.31Å; L189-V191 VanDerWaalsContact O-N 3.16Å
192I29.8Very low35.1Very low158 Ų158141.9 Ų141.981%0.8172%0.721SS**  trans-105102.1157.8-58.5-177.9000108D190 D194D190-I192 PolarHBondContact O-N 2.91Å; D190-I192 VanDerWaalsContact O-N 3.15Å; I192-D194 PolarHBondContact O-N 2.9Å
193S30.1Very low35.4Very low94 Ų94140.1 Ų140.166%0.65771%0.71SS**  trans-68.1120.8166.7169.80000109.6
194D30.9Very low36.1Very low119 Ų119134 Ų13464%0.63669%0.693SS**  trans-164.799.3136.1-104.3-10.2000109.5I192I192-D194 PolarHBondContact O-N 2.9Å
195N31.7Very low36.6Very low127 Ų127129 Ų12968%0.67968%0.675SS**  trans-111.5175.9-177.6-147.3-19000110.2
196H34Very low37.4Very low149 Ų149125.8 Ų125.869%0.6966%0.658SS**SBendtrans78.466.8170.9-40.9-64.8000118.8
197D42Very low38.2Very low82 Ų82118.5 Ų118.544%0.43963%0.633SS.*SBend-166.8-12.3126.2-124.82.9000113.7L199 K200D197-L199 VanDerWaalsContact C-N 3.29Å; D197-L199 PolarHBondContact O-N 3.03Å; D197-L199 VanDerWaalsContact O-N 3.12Å; D197-K200 PolarHBondContact O-N 2.97Å; D197-K200 IonicContact OD1-NZ 3.67Å; D197-K200 PolarHBondContact OD1-NZ 3.47Å
198V45.6Very low38.8Very low109 Ų109116.6 Ų116.666%0.66162%0.617SS**Hα-helixtrans-50.2-41.6-172.8-175.50000113.7K200 W201V198-K200 VanDerWaalsContact C-N 3.27Å; V198-K200 PolarHBondContact O-N 3.04Å; V198-W201 PolarHBondContact O-N 3.42Å
199L44.7Very low39.6Very low155 Ų155110 Ų11081%0.81259%0.59SS**Hα-helixtrans-62.8-25.7-178.3-77.6163.3000114.4D197 W201 Y203D197-L199 VanDerWaalsContact C-N 3.29Å; D197-L199 PolarHBondContact O-N 3.03Å; D197-L199 VanDerWaalsContact O-N 3.12Å; L199-W201 VanDerWaalsContact C-N 3.34Å; L199-Y203 VanDerWaalsContact O-CB 3.27Å; L199-Y203 WeakPolarHBondContact O-CB 3.3Å; L199-Y203 PolarHBondContact O-N 3.34Å
200K48.1Very low40.3Very low140 Ų140109.1 Ų109.161%0.60958%0.582SS**Hα-helixtrans-71.8-28.2177.4-72.9-176.3-168135.80113.1D197 V198 A204D197-K200 PolarHBondContact O-N 2.97Å; D197-K200 IonicContact OD1-NZ 3.67Å; D197-K200 PolarHBondContact OD1-NZ 3.47Å; V198-K200 VanDerWaalsContact C-N 3.27Å; V198-K200 PolarHBondContact O-N 3.04Å; K200-A204 VanDerWaalsContact O-CB 3.27Å; K200-A204 WeakPolarHBondContact O-CB 3.5Å; K200-A204 PolarHBondContact O-N 3.13Å; K200-A204 VanDerWaalsContact O-N 3.09Å
201W44.7Very low41.1Very low182 Ų182109.6 Ų109.669%0.68958%0.579SS**Hα-helixtrans-84.9-37.6-172.2-69.993.3000112.7V198 L199 G205V198-W201 PolarHBondContact O-N 3.42Å; L199-W201 VanDerWaalsContact C-N 3.34Å; W201-G205 PolarHBondContact O-N 3.02Å; W201-G205 VanDerWaalsContact O-N 3.15Å
202D49.6Very low41.7Very low91 Ų91109.8 Ų109.849%0.48758%0.575SS.*Hα-helixtrans-68.4-46.1170.8-77.9-3.1000110.3A204 G205 D206D202-A204 VanDerWaalsContact C-N 3.27Å; D202-A204 PolarHBondContact O-N 3.08Å; D202-G205 CarbonylContact O-C 3.55Å; D202-G205 WeakPolarHBondContact O-CA 3.46Å; D202-G205 PolarHBondContact O-N 3.14Å; D202-D206 PolarHBondContact O-N 3.25Å
203Y40Very low41.7Very low163 Ų163104.9 Ų104.964%0.63956%0.563SS**Hα-helixtrans-58.6-35.9175.9-166.3-116.7000112.8L199 D206 I207L199-Y203 VanDerWaalsContact O-CB 3.27Å; L199-Y203 WeakPolarHBondContact O-CB 3.3Å; L199-Y203 PolarHBondContact O-N 3.34Å; Y203-D206 PolarHBondContact O-N 3.47Å; Y203-I207 HydrophobicContact CD1-CD1 3.62Å; Y203-I207 HydrophobicContact CD1-CG1 4.44Å; Y203-I207 HydrophobicContact CE1-CD1 3.38Å; Y203-I207 HydrophobicContact CE1-CG1 4.3Å; Y203-I207 HydrophobicContact CG-CD1 4.35Å; Y203-I207 VanDerWaalsContact O-CB 3.24Å; Y203-I207 WeakPolarHBondContact O-CB 3.34Å; Y203-I207 VanDerWaalsContact O-CG1 3.31Å; Y203-I207 WeakPolarHBondContact O-CG1 3.4Å; Y203-I207 PolarHBondContact O-N 3.1Å
204A46.8Very low41.9Very low49 Ų49106.3 Ų106.341%0.40557%0.568SS.*Hα-helixtrans-69.3-30.4172.500000113.5K200 D202 A208K200-A204 VanDerWaalsContact O-CB 3.27Å; K200-A204 WeakPolarHBondContact O-CB 3.5Å; K200-A204 PolarHBondContact O-N 3.13Å; K200-A204 VanDerWaalsContact O-N 3.09Å; D202-A204 VanDerWaalsContact C-N 3.27Å; D202-A204 PolarHBondContact O-N 3.08Å; A204-A208 WeakPolarHBondContact O-CB 3.35Å; A204-A208 PolarHBondContact O-N 3.44Å; A204-A208 VanDerWaalsContact O-N 3.14Å
205G42.7Very low41.8Very low39 Ų39105.7 Ų105.740%0.40257%0.57SS.*Hα-helixtrans-67.8-42.7171.800000112.3W201 D202 A208 S209W201-G205 PolarHBondContact O-N 3.02Å; W201-G205 VanDerWaalsContact O-N 3.15Å; D202-G205 CarbonylContact O-C 3.55Å; D202-G205 WeakPolarHBondContact O-CA 3.46Å; D202-G205 PolarHBondContact O-N 3.14Å; G205-A208 PolarHBondContact O-N 3.5Å; G205-S209 PolarHBondContact O-N 3.3Å
206D46.8Very low41.8Very low82 Ų82110.6 Ų110.644%0.43958%0.579SS.*Hα-helixtrans-75.7-36-179.7-66.2-35.3000112.6D202 Y203 A208 S209 H210D202-D206 PolarHBondContact O-N 3.25Å; Y203-D206 PolarHBondContact O-N 3.47Å; D206-A208 VanDerWaalsContact C-N 3.29Å; D206-A208 PolarHBondContact O-N 3.06Å; D206-S209 WeakPolarHBondContact CA-OG 3.49Å; D206-S209 PolarHBondContact O-N 3.05Å; D206-S209 PolarHBondContact O-OG 3.26Å; D206-H210 WeakPolarHBondContact O-CB 3.47Å; D206-H210 PolarHBondContact O-N 2.82Å; D206-H210 PolarHBondContact O-ND1 3.3Å
207I46.8Very low41.8Very low65 Ų65110.3 Ų110.333%0.33358%0.581SS.*Hα-helixtrans-57.5-42.2166.7-82.8178.2000111.1Y203 H211Y203-I207 HydrophobicContact CD1-CD1 3.62Å; Y203-I207 HydrophobicContact CD1-CG1 4.44Å; Y203-I207 HydrophobicContact CE1-CD1 3.38Å; Y203-I207 HydrophobicContact CE1-CG1 4.3Å; Y203-I207 HydrophobicContact CG-CD1 4.35Å; Y203-I207 VanDerWaalsContact O-CB 3.24Å; Y203-I207 WeakPolarHBondContact O-CB 3.34Å; Y203-I207 VanDerWaalsContact O-CG1 3.31Å; Y203-I207 WeakPolarHBondContact O-CG1 3.4Å; Y203-I207 PolarHBondContact O-N 3.1Å; I207-H211 WeakPolarHBondContact O-CB 3.26Å; I207-H211 PolarHBondContact O-CD2 2.88Å; I207-H211 PolarHBondContact O-N 3.3Å
208A44.9Very low41Very low56 Ų56112.9 Ų112.946%0.46359%0.594SS.*Hα-helixtrans-71.6-30.1177.400000113.4A204 G205 D206A204-A208 WeakPolarHBondContact O-CB 3.35Å; A204-A208 PolarHBondContact O-N 3.44Å; A204-A208 VanDerWaalsContact O-N 3.14Å; G205-A208 PolarHBondContact O-N 3.5Å; D206-A208 VanDerWaalsContact C-N 3.29Å; D206-A208 PolarHBondContact O-N 3.06Å
209S45Very low40.3Very low33 Ų33112.8 Ų112.823%0.23160%0.598CS.*Hα-helixtrans-77.2-33.417873.80000112.7G205 D206G205-S209 PolarHBondContact O-N 3.3Å; D206-S209 WeakPolarHBondContact CA-OG 3.49Å; D206-S209 PolarHBondContact O-N 3.05Å; D206-S209 PolarHBondContact O-OG 3.26Å
210H42.5Very low39.4Very low134 Ų134113 Ų11362%0.6259%0.594SS**Hα-helixtrans-83.9-43.1178.7-71.281.6000113.5D206 L212 G213D206-H210 WeakPolarHBondContact O-CB 3.47Å; D206-H210 PolarHBondContact O-N 2.82Å; D206-H210 PolarHBondContact O-ND1 3.3Å; H210-L212 VanDerWaalsContact C-N 3.25Å; H210-L212 PolarHBondContact O-N 3.15Å; H210-G213 PolarHBondContact O-N 3.21Å
211H46.5Very low38.4Very low140 Ų140111.6 Ų111.665%0.64860%0.602SS**THydrogen-bonded Turntrans-790.9-175.4-60.2-36.8000115.5I207I207-H211 WeakPolarHBondContact O-CB 3.26Å; I207-H211 PolarHBondContact O-CD2 2.88Å; I207-H211 PolarHBondContact O-N 3.3Å
212L42.8Very low37.5Very low138 Ų138108.7 Ų108.772%0.72361%0.61SS**THydrogen-bonded Turntrans-80-6.2161.3-72.9171.9000112.5H210 V214H210-L212 VanDerWaalsContact C-N 3.25Å; H210-L212 PolarHBondContact O-N 3.15Å; L212-V214 VanDerWaalsContact C-N 3.3Å; L212-V214 PolarHBondContact O-N 3.38Å
213G30.3Very low36.6Very low55 Ų55111.9 Ų111.957%0.56763%0.626SS**  trans-72.580163.400000111.5H210 P215H210-G213 PolarHBondContact O-N 3.21Å; G213-P215 WeakPolarHBondContact O-CD 3.46Å
214V33Very low35.8Very low124 Ų124109.7 Ų109.775%0.75263%0.634SS**  trans-60.1123.3167.8177.50000108.4L212 R216L212-V214 VanDerWaalsContact C-N 3.3Å; L212-V214 PolarHBondContact O-N 3.38Å; V214-R216 PolarHBondContact O-N 3.27Å
215P30.5Very low34.9Very low107 Ų107112.7 Ų112.770%0.69565%0.651SS**  trans-62.6112.3176.5-21.933.7000109.8G213 I217G213-P215 WeakPolarHBondContact O-CD 3.46Å; P215-I217 VanDerWaalsContact C-N 3.28Å; P215-I217 PolarHBondContact O-N 2.87Å
216R31.8Very low34.2Very low229 Ų229119 Ų11986%0.86467%0.67SS**  trans-74.586.8174.7-141.7178.9-163.4-178.45107.7V214 I218V214-R216 PolarHBondContact O-N 3.27Å; R216-I218 PolarHBondContact O-N 3.45Å
217I32.3Very low33.3Very low143 Ų143121.3 Ų121.373%0.73369%0.689SS**  trans-57.6113.7179.8-64.5178.2000108.2P215 S219P215-I217 VanDerWaalsContact C-N 3.28Å; P215-I217 PolarHBondContact O-N 2.87Å; I217-S219 PolarHBondContact O-N 3.42Å; I217-S219 PolarHBondContact O-OG 3.41Å
218I26.5Very low32.6Very low137 Ų137125 Ų12570%0.70371%0.708SS**  trans-61.4107.2-175.1-60.3172.5000108.2R216 H220R216-I218 PolarHBondContact O-N 3.45Å; I218-H220 VanDerWaalsContact CG2-CD2 3.5Å; I218-H220 WeakPolarHBondContact CG2-CD2 3.46Å; I218-H220 VanDerWaalsContact CG2-NE2 3.29Å; I218-H220 WeakPolarHBondContact CG2-NE2 3.39Å
219S29.5Very low31.8Very low106 Ų106129.3 Ų129.374%0.74172%0.723SS**  trans-115.690.1179.7-55.60000107.5I217I217-S219 PolarHBondContact O-N 3.42Å; I217-S219 PolarHBondContact O-OG 3.41Å
220H25.9Very low31.1Very low160 Ų160138.1 Ų138.174%0.74175%0.753SS**  trans-68.9-178.3170-68-80.2000110.7I218I218-H220 VanDerWaalsContact CG2-CD2 3.5Å; I218-H220 WeakPolarHBondContact CG2-CD2 3.46Å; I218-H220 VanDerWaalsContact CG2-NE2 3.29Å; I218-H220 WeakPolarHBondContact CG2-NE2 3.39Å
221S28.8Very low30.7Very low111 Ų111136.7 Ų136.778%0.77675%0.754SS**  trans81.789.7173.5-520000115.6L223S221-L223 PolarHBondContact O-N 2.96Å
222S25Very low29.9Very low121 Ų121136 Ų13685%0.84676%0.755SS**  trans-48.4122.9153.448.60000112.5
223L29.7Very low29.4Very low157 Ų157136.1 Ų136.182%0.82277%0.766SS**  trans-142.6116.7160.8-96173000109.4S221S221-L223 PolarHBondContact O-N 2.96Å
224S24.6Very low29.4Very low117 Ų117138.3 Ų138.382%0.81877%0.768SS**  trans-89.9120.6173.545.20000110
225C26.8Very low29.3Very low112 Ų112138.8 Ų138.876%0.75777%0.767SS**  trans-138.1137.2175.4-65.90000109.7
226H29.4Very low29.2Very low171 Ų171145 Ų14579%0.79278%0.778SS**  trans-77.2157.7-172-61.1-37.5000113.7I228H226-I228 PolarHBondContact O-N 2.94Å
227P27.5Very low29Very low131 Ų131141.6 Ų141.685%0.85178%0.777SS**  trans-65.8114.8163.928.7-33.6000109.7
228I32.6Very low28.8Very low142 Ų142141 Ų14173%0.72878%0.78SS**  trans-92120.6177.7-63.6177.3000109.1H226 Y230H226-I228 PolarHBondContact O-N 2.94Å; I228-Y230 HydrophobicContact CG2-CD2 4.07Å; I228-Y230 HydrophobicContact CG2-CE2 4.19Å; I228-Y230 PolarHBondContact O-N 3.37Å
229N26.5Very low28.8Very low147 Ų147142 Ų14279%0.78679%0.786SS**  trans-58.2130167.4-90.7-25.7000110.5
230Y31.5Very low28.7Very low219 Ų219143 Ų14386%0.85979%0.788SS**  trans-127.4116155.3-105.6-85.5000109.8I228I228-Y230 HydrophobicContact CG2-CD2 4.07Å; I228-Y230 HydrophobicContact CG2-CE2 4.19Å; I228-Y230 PolarHBondContact O-N 3.37Å
231V33.3Very low28.8Very low103 Ų103141.4 Ų141.462%0.62479%0.79SS**  trans-104.2155.3-176.7168.30000108.9
232D30.4Very low28.8Very low127 Ų127144.6 Ų144.668%0.67979%0.794SS**  trans54.6108.8169.3-67.7-24.3000119.9
233C31.5Very low29Very low140 Ų140144.6 Ų144.695%0.94679%0.79SS**  -141.3111.6122.4-95.10000108.9
234T31.2Very low29.1Very low101 Ų101149 Ų14962%0.6280%0.795SS**  trans-88.7178.1-170.6490000113.5
235N29.6Very low29.3Very low134 Ų134148.7 Ų148.772%0.71779%0.791SS**  trans7072.9159.3-57-28.4000118.1
236Y28.3Very low29.3Very low237 Ų237148.3 Ų148.393%0.92979%0.789SS**  trans-140.685.1140.1-91-66.9000111.6
237D27.8Very low29.3Very low157 Ų157145.2 Ų145.284%0.8479%0.787SS**  trans-64.6135156.2-85.8-48.1000110.3
238V29.3Very low29.2Very low132 Ų132144 Ų14480%0.878%0.782SS**  trans167.1123.7137.51530000108.1T240V238-T240 PolarHBondContact O-N 3.12Å
239N25.6Very low29.2Very low156 Ų156142.3 Ų142.383%0.83478%0.78SS**  trans-27.8122.2-179.5-64.8-12.8000116.3
240T28.1Very low29.3Very low127 Ų127143.6 Ų143.678%0.77978%0.781SS**  trans-140.985.5155-610000109.2V238 M242V238-T240 PolarHBondContact O-N 3.12Å; T240-M242 PolarHBondContact O-N 2.96Å
241T27.8Very low29.2Very low128 Ų128140.6 Ų140.679%0.78578%0.778SS**  trans-72101.717226.80000110.3T243T241-T243 PolarHBondContact O-N 3.22Å
242M27.6Very low28.9Very low177 Ų177140.2 Ų140.287%0.87278%0.78SS**  trans-83.292.6163.8-75.9-168.367.700109.7T240T240-M242 PolarHBondContact O-N 2.96Å
243T30.1Very low28.7Very low122 Ų122140.1 Ų140.175%0.74879%0.786SS**PPolyproline II helixtrans-66.2134.5169.533.50000111.3T241T241-T243 PolarHBondContact O-N 3.22Å
244W32.7Very low28.5Very low248 Ų248139 Ų13994%0.93978%0.78SS**PPolyproline II helixtrans-78138.1145.4-84.576000107.7S246W244-S246 PolarHBondContact O-N 3.24Å
245P28.6Very low28.4Very low112 Ų112139 Ų13973%0.72778%0.784SS**PPolyproline II helixtrans-75.8124.1-164.528.3-34.7000112.5
246S26.4Very low28.4Very low103 Ų103138.3 Ų138.372%0.7279%0.785SS**  trans-66.4176.814754.50000110.3W244W244-S246 PolarHBondContact O-N 3.24Å
247S28.4Very low28.5Very low106 Ų106137.8 Ų137.874%0.74178%0.783SS**SBendtrans-61.3138.2171.446.50000113.1
248S26.2Very low28.5Very low107 Ų107133.1 Ų133.175%0.74877%0.772SS**  trans81.6173.9162-45.50000115.7
249P33Very low28.5Very low105 Ų105136.7 Ų136.768%0.68277%0.772SS**  -138.6167.7-92.139.6-20.8000118.3
250H28.7Very low28.6Very low174 Ų174135.3 Ų135.381%0.80677%0.77SS**  trans73.7153.9154.7-75.3-61.3000122
251I29.4Very low28.7Very low156 Ų156134.8 Ų134.880%0.877%0.766SS**  trans70.7127.8155.3-73.8155.9000116.8
252S26.5Very low28.6Very low96 Ų96140.7 Ų140.767%0.67177%0.774SS**  cis-166.5161.2-8.5-890000110.2
253P26.8Very low28.8Very low124 Ų124142.2 Ų142.281%0.80577%0.77SS**SBendtrans-82.2138.7148.733.6-29.8000110.7S255P253-S255 PolarHBondContact O-N 3.03Å
254S27Very low28.6Very low117 Ų117146.3 Ų146.382%0.81878%0.777SS**  trans-61.7128.5-179.7178.60000113.4
255S29Very low28.4Very low101 Ų101143.5 Ų143.571%0.70677%0.768SS**  -179.6131.8111.638.20000115P253P253-S255 PolarHBondContact O-N 3.03Å
256V29.6Very low28.3Very low120 Ų120144.6 Ų144.673%0.72777%0.768SS**  trans54.496.2136.4-174.40000118.6
257Y28.8Very low28.5Very low225 Ų225147.4 Ų147.488%0.88277%0.767SS**  trans63.2149157.5-65.1-122.6000116.1
258G28.1Very low28.3Very low59 Ų59148.7 Ų148.761%0.60877%0.765SS**  cis157.9151.6-1.300000110.1
259Y29.3Very low28.3Very low207 Ų207148.8 Ų148.881%0.81276%0.762SS**  trans56.995.4167.9-64.6-81.9000119.6
260T28Very low28Very low128 Ų128153.9 Ų153.979%0.78577%0.768SS**  21104.3117.458.30000118.9
261V30.4Very low28.1Very low115 Ų115151 Ų15170%0.69776%0.763SS**  trans-142119.1153.6176.70000111.4R263V261-R263 HydrophobicContact CG1-CG 3.97Å
262R27Very low28.1Very low252 Ų252150.3 Ų150.395%0.95176%0.76SS**  trans-74.7126.6160.1-81.1175.8164.8-179.8-3.8109.5
263R30.4Very low28.2Very low210 Ų210150.3 Ų150.379%0.79276%0.76SS**  trans-143.6108.4155-76.1-170.3-177.5158.83.4112.2V261 Y265V261-R263 HydrophobicContact CG1-CG 3.97Å; R263-Y265 HydrophobicContact CB-CD2 4.41Å
264K26.8Very low28.5Very low207 Ų207151 Ų15190%0.976%0.758SS**  trans-71.8120.5148.9-73.6-179.5174.9-178.70106.6
265Y27.9Very low28.7Very low190 Ų190155.4 Ų155.475%0.74576%0.756SS**  trans-150.3159.1164.6-100.7-70.8000111.9R263 F267R263-Y265 HydrophobicContact CB-CD2 4.41Å; Y265-F267 AromaticContact CD1-CE2 3.79Å; Y265-F267 HydrophobicContact CD1-CE2 3.79Å; Y265-F267 HydrophobicContact CD1-CZ 4.27Å; Y265-F267 HydrophobicContact CG-CE2 4.19Å
266N26.6Very low28.9Very low135 Ų135156.6 Ų156.672%0.72276%0.755SS**  trans-130.796.7-159.5176.519.1000110.7
267F30.1Very low28.9Very low162 Ų162158.9 Ų158.971%0.71176%0.757SS**  trans-150.4124.5177.8-58.4-77.7000106.9Y265Y265-F267 AromaticContact CD1-CE2 3.79Å; Y265-F267 HydrophobicContact CD1-CE2 3.79Å; Y265-F267 HydrophobicContact CD1-CZ 4.27Å; Y265-F267 HydrophobicContact CG-CE2 4.19Å
268N24.9Very low29Very low132 Ų132154.2 Ų154.271%0.70675%0.748SS**  cis60.4116.711.3-147.55.3000115
269T26.9Very low28.9Very low110 Ų110160 Ų16068%0.67576%0.759SS**  trans66.9152.9-175.883.50000114.1
270R26.3Very low28.8Very low212 Ų212154.9 Ų154.980%0.876%0.76SS**  cis-164167.6-1-134.3172.6-178.3176.5-0.7110
271T29.4Very low28.7Very low114 Ų114153.3 Ų153.370%0.69975%0.753SS**  trans61.2150.5152.648.50000119
272N30.7Very low28.7Very low140 Ų140153.8 Ų153.875%0.74975%0.751SS**  cis-135.5130.60.4-104.8-26.3000108.8
273S28.6Very low28.8Very low97 Ų97150.3 Ų150.368%0.67874%0.743SS**  73.384.383.4-172.30000114.7
274N33Very low29.1Very low139 Ų139148.8 Ų148.874%0.74374%0.742SS**  trans178.7137.6144.7-96.8-29.1000108.6
275R30.6Very low29.5Very low208 Ų208148.4 Ų148.479%0.78574%0.741SS**  cis-163.3160.7-17.8-144.8-179.8178.6156.7-3.7106.7
276N33.5Very low29.5Very low127 Ų127142.2 Ų142.268%0.67974%0.735SS**  trans67117.4171.7-47.9-2.4000113.8
277Q29.1Very low29.6Very low167 Ų167144.7 Ų144.778%0.7874%0.74SS**  cis111.515338-94.5-179.8-37.200110
278N30.8Very low29.7Very low128 Ų128141.6 Ų141.668%0.68474%0.736SS**  trans67.187172.2-55.53000112.9
279E26.3Very low29.8Very low180 Ų180143 Ų14384%0.84174%0.738SS**  74.1153.763.6-62.3-176.9159.300113.6
280A27.6Very low29.9Very low100 Ų100145.5 Ų145.583%0.82674%0.74SS**  trans63147.6-177.200000115.1
281S26.9Very low30Very low94 Ų94140.4 Ų140.466%0.65774%0.736SS**  cis-166.1-168.6-22.758.90000107.8
282L30.1Very low30Very low125 Ų125140.7 Ų140.765%0.65474%0.743SS**  trans50.9108.6156.7-88.355.4000117.5
283K28.5Very low29.9Very low180 Ų180140.9 Ų140.978%0.78374%0.743SS**  62.2142.776.3-64.7176.6-179.2179.30114.2
284K36.1Very low29.8Very low177 Ų177141.1 Ų141.177%0.7774%0.74SS**  trans84.8118.3170.7-56.8169-179.8177.30113.6
285K36Very low29.7Very low200 Ų200142.1 Ų142.187%0.8774%0.744SS**  70.2119.5101.6-64.5-171.4175.2-162.20112.3
286G28Very low29.5Very low60 Ų60137.4 Ų137.462%0.61973%0.734SS**  cis96.8124.2200000113.4
287F28.5Very low29.3Very low187 Ų187139.1 Ų139.182%0.8274%0.738SS**  trans63.9163.1177.8-63.7-80.1000117.2
288P31.8Very low29.2Very low97 Ų97134.4 Ų134.463%0.6373%0.734SS**  cis-118.6162.5-9.415.18.1000115.1
289E27.1Very low29.1Very low160 Ų160133.8 Ų133.875%0.74874%0.74SS**  trans-47.2132.6156-59.3136133.500112.5
290F29.1Very low29.2Very low164 Ų164133.9 Ų133.972%0.71974%0.738SS**  trans-138118.8149.8-89.7-76.3000109.9
291S29Very low29.2Very low104 Ų104136.5 Ų136.573%0.72774%0.736SS**SBendtrans37.181155.2-52.90000117.7I293S291-I293 PolarHBondContact O-N 3.01Å
292S28.3Very low29.1Very low120 Ų120137.5 Ų137.584%0.83974%0.743SS**  trans20.383157.558.50000116.2T294S292-T294 PolarHBondContact O-N 2.67Å
293I29.4Very low29Very low145 Ų145137.2 Ų137.274%0.74475%0.752SS**  trans-57.1108.2-179.5-68.9173.4000111.4S291 I295S291-I293 PolarHBondContact O-N 3.01Å; I293-I295 PolarHBondContact O-N 3.44Å
294T27Very low29.1Very low102 Ų102134.5 Ų134.563%0.62675%0.752SS**  3.986.1125.3-47.90000115.4S292 N296S292-T294 PolarHBondContact O-N 2.67Å; T294-N296 HydrophobicContact CG2-CB 3.79Å; T294-N296 PolarHBondContact O-N 2.74Å
295I29.5Very low28.9Very low159 Ų159132.2 Ų132.282%0.81575%0.748SS**  trans-81.981.1140.9-58.6-177.4000106.3I293I293-I295 PolarHBondContact O-N 3.44Å
296N26.8Very low28.7Very low109 Ų109128.3 Ų128.358%0.58374%0.743SS**  trans-66.6174.7143.1-93.1-23000108.2T294T294-N296 HydrophobicContact CG2-CB 3.79Å; T294-N296 PolarHBondContact O-N 2.74Å
297H29.9Very low29Very low164 Ų164133 Ų13376%0.75975%0.749SS**  trans73.3107.7-178.7-36.9-68.7000112
298G26.3Very low29.4Very low67 Ų67131.5 Ų131.569%0.69175%0.75SS**  cis-151.8173.23.400000112.7
299S29.1Very low29.4Very low116 Ų116136.6 Ų136.681%0.81177%0.765SS**  cis47.672.210.5-72.80000114.5
300F27.6Very low29.7Very low182 Ų182135.8 Ų135.880%0.79877%0.765SS**  trans-157.5142.7138.5-86.2-58.9000110.2
301I28.5Very low29.9Very low155 Ų155135.7 Ų135.780%0.79577%0.767SS**  trans52.584.8162.960.9176.4000119.4
302S25.5Very low30Very low114 Ų114137.1 Ų137.180%0.79777%0.771SS**  37.7122.7117.4-42.40000120.8
303S27.4Very low30.1Very low120 Ų120139.7 Ų139.784%0.83977%0.774SS**  trans-125.6144.8130.9-76.50000107.4
304P30.2Very low30Very low122 Ų122137.8 Ų137.879%0.79277%0.772SS**  trans-87.6159-148.234.3-38.5000114.9
305D31.5Very low30.1Very low129 Ų129140.4 Ų140.469%0.6978%0.781SS**  trans-66.8158.6157.6-135-50.3000111.5E307D305-E307 PolarHBondContact OD1-N 2.93Å
306P31.5Very low30Very low118 Ų118138.6 Ų138.677%0.76677%0.773SS**  trans-126.82.2153.637.3-24.8000114.4
307E34.8Very low30.2Very low160 Ų160143.3 Ų143.375%0.74878%0.784SS**SBendtrans-136.958.2-168.7-70.5-177.3-153.300114.1D305D305-E307 PolarHBondContact OD1-N 2.93Å
308D36.5Very low30Very low155 Ų155140.3 Ų140.383%0.82978%0.782SS**  trans-173.869.2146.8-101.3-20.8000113.5
309E32Very low30.1Very low203 Ų203143.8 Ų143.895%0.94978%0.783SS**  trans-124.487.4158.5-87.1-163173.200110.8
310L34.3Very low30Very low144 Ų144144.4 Ų144.475%0.75478%0.777SS**  trans-130.8149.1167.5-88.7171.6000110.8
311H33.1Very low30.1Very low161 Ų161142.9 Ų142.975%0.74577%0.773SS**  trans66.595.9177.9-36.3-66.1000114.2
312T31.1Very low30.3Very low134 Ų134141.6 Ų141.682%0.82277%0.766SS**  -176.3108.370.8280000113.1
313L30Very low30.5Very low174 Ų174142.3 Ų142.391%0.91176%0.761SS**  trans-143.4146.6142.3-82.6-173.4000109.2
314P27Very low30.8Very low105 Ų105142.6 Ų142.668%0.68275%0.753SS**  trans-101.2-172.7-169.641-37.7000113.8
315L30Very low31Very low158 Ų158143.9 Ų143.983%0.82775%0.753SS**  trans83.9142.2-179.2-55.7154.8000113
316N27.7Very low31.1Very low121 Ų121144.8 Ų144.865%0.64776%0.758SS**  cis162.3156.2-22.4-115.80.6000103.8
317Y29.5Very low31.3Very low207 Ų207145.4 Ų145.481%0.81276%0.755SS**  trans68106-174.3-51.2-79.5000111.9
318S25.8Very low31.2Very low102 Ų102144.3 Ų144.371%0.71375%0.749SS**  cis73.9138.331.6-37.90000114.8
319I28.7Very low31Very low139 Ų139146 Ų14671%0.71375%0.752SS**  trans77.694.9162.1-64165.3000115.3
320D28.1Very low31Very low129 Ų129144.6 Ų144.669%0.6975%0.745SS**  61.9161.1124.1-49.6-12.3000122.8
321Q29.9Very low30.7Very low151 Ų151142.7 Ų142.771%0.70674%0.741SS**  trans79.5123.9147.7-82.5163.983.600120
322I32.6Very low30.5Very low127 Ų127143.1 Ų143.165%0.65175%0.748SS**  trans77.193.4134.9-61.8168.3000116.5
323N29.4Very low30.3Very low129 Ų129141.6 Ų141.669%0.6974%0.743SS**  65.9163122.6-57.38.8000122.1
324D33.8Very low30.2Very low126 Ų126139.4 Ų139.467%0.67474%0.739SS**  trans66.797.2150.7-52.7-23.8000119
325D33.4Very low30.1Very low150 Ų150141.9 Ų141.980%0.80275%0.746SS**  85.2168129.7-59.3-23.1000122
326D34.6Very low30Very low148 Ų148141.3 Ų141.379%0.79174%0.744SS**  trans66.964.4171.4-65.9-2000120.2
327D34.5Very low29.9Very low130 Ų130140.4 Ų140.470%0.69575%0.746SS**  88.1137108.6-102.8-17.1000124.5
328H34.1Very low30Very low137 Ų137139.8 Ų139.863%0.63475%0.748SS**  trans63.490148.2-70.636000119.9
329H32.5Very low30.1Very low190 Ų190141.1 Ų141.188%0.8875%0.747SS**  -166.5109.197.2-99-64.6000113.8
330H30.7Very low30.5Very low174 Ų174140.8 Ų140.881%0.80675%0.745SS**  trans-72.7173.4175.7-87.1-68.6000114.9
331P29.1Very low30.5Very low104 Ų104141 Ų14168%0.67575%0.746SS**  cis-135.7162.8-17.329.5-9.5000116.2
332L29.1Very low30.8Very low170 Ų170140.8 Ų140.889%0.8975%0.75SS**  trans-90.1131.7150.3-81.6159000110
333S26Very low30.7Very low103 Ų103143.8 Ų143.872%0.7276%0.761SS**  trans62162.5167.4-54.50000116.2
334P27Very low31Very low128 Ų128144.8 Ų144.883%0.83177%0.767SS**  -144168.787.839.8-24.3000115.5
335L26.4Very low30.9Very low157 Ų157145.4 Ų145.482%0.82277%0.769SS**  trans-85.4166.3160.6-78.9154.6000110.6
336N26.9Very low31.1Very low146 Ų146145.4 Ų145.478%0.78177%0.767SS**  trans75.3155.4160.4-71.8-5.9000120.9
337C25.6Very low30.9Very low101 Ų101146.9 Ų146.968%0.68277%0.767SS**  trans66.685.1155-67.80000119.5
338F31.3Very low30.8Very low194 Ų194149.8 Ų149.885%0.85177%0.769SS**  -12995.6122.9-82.8-76.8000109.2I340F338-I340 HydrophobicContact CD1-CD1 4.34Å; F338-I340 HydrophobicContact CD1-CG1 4.17Å
339N28.4Very low30.4Very low131 Ų131149.7 Ų149.770%0.70177%0.773SS**  trans-65.9129.8136-72.723.1000105.1
340I36.9Very low30.5Very low131 Ų131147.5 Ų147.567%0.67277%0.768SS**  trans-129.1116.1139.6-64.8-176.7000104.1F338F338-I340 HydrophobicContact CD1-CD1 4.34Å; F338-I340 HydrophobicContact CD1-CG1 4.17Å
341D28.4Very low30.2Very low135 Ų135145.2 Ų145.272%0.72276%0.761SS**  trans-77.7124.5170.1-56.2-82.8000108.2
342D37Very low30.3Very low145 Ų145146.2 Ų146.278%0.77577%0.766SS**  trans-134.778.6161.2-91-42.9000107.1D344D342-D344 PolarHBondContact O-N 3.41Å
343E28.9Very low30.2Very low191 Ų191144.5 Ų144.589%0.89376%0.757SS**  trans-64.3109.5150.1-78.7-162.7149.800106.8
344D36.9Very low30.4Very low150 Ų150145.1 Ų145.180%0.80276%0.762SS**  trans-134.1135.2153.6-145.4-11000112.3D342D342-D344 PolarHBondContact O-N 3.41Å
345L31.1Very low30.4Very low138 Ų138143.1 Ų143.172%0.72375%0.751SS**  trans-74.3141.7-179.2-78.855.3000108.3
346I37.9Very low30.7Very low150 Ų150143 Ų14377%0.76975%0.746SS**  -155.5136.5126.8-106.4148.1000111.7Y348I346-Y348 HydrophobicContact CG2-CD2 3.66Å; I346-Y348 HydrophobicContact CG2-CE2 3.84Å
347K30.3Very low31Very low179 Ų179145.9 Ų145.978%0.77875%0.752SS**  trans-120.892-162.9174-173172.6179.90110.1
348Y32.3Very low31.1Very low191 Ų191145.3 Ų145.375%0.74975%0.749SS**  trans-140.1117.7167.6-59.9-74.5000107.4I346I346-Y348 HydrophobicContact CG2-CD2 3.66Å; I346-Y348 HydrophobicContact CG2-CE2 3.84Å
349N26Very low31.3Very low135 Ų135144.4 Ų144.472%0.72275%0.752SS**  cis68.273.68.4-143.738.9000115.7
350L33.5Very low31.4Very low145 Ų145144.7 Ų144.776%0.75975%0.754SS**  trans-176109.8161.9-96.5158.6000103.7
351N25.3Very low31.4Very low126 Ų126145.8 Ų145.867%0.67476%0.761SS**  cis66.982.435.3-16116.7000115.1
352T31.5Very low31.7Very low124 Ų124147.1 Ų147.176%0.76176%0.763SS**  trans-162.5105.5160.725.30000105.1
353N26.6Very low31.5Very low134 Ų134146.2 Ų146.272%0.71776%0.758SS**  57.8134.462.1-76.3-18000115.2
354S29.5Very low31.7Very low116 Ų116143 Ų14381%0.81175%0.747SS**  trans64.2147.5171.661.90000118.3
355S28.7Very low31.6Very low87 Ų87146.5 Ų146.561%0.60875%0.751SS**  cis-165.8172.5-2753.90000109.1
356E30.8Very low31.6Very low154 Ų154146.7 Ų146.772%0.7275%0.752SS**  trans45.4115.8152.3-65.3149.1123.500119.4
357F33.7Very low31.2Very low207 Ų207147 Ų14791%0.90876%0.755SS**  -161.6118.190.2-112.9-79.7000111
358S28.2Very low31.4Very low89 Ų89146.4 Ų146.462%0.62276%0.759SS**  trans-102.8138.6176.853.50000110.7
359L36.5Very low31.3Very low174 Ų174145.9 Ų145.991%0.91176%0.763SS**  trans-130.3128.5150.7-76.1177.5000108.1
360N30.6Very low31.6Very low137 Ų137147.9 Ų147.973%0.73377%0.766SS**  trans-97.9148.2173.9-51.5-29.9000108.4
361D36.3Very low31.3Very low155 Ų155148 Ų14883%0.82977%0.766SS**  trans-141.6121.3135.2-75.2-49.4000102.6
362E35.2Very low31.4Very low162 Ų162149.5 Ų149.576%0.75777%0.774SS**  53.2128.968.7-68.9-156.9162.200113.2
363N31.6Very low31.3Very low126 Ų126150.5 Ų150.567%0.67478%0.775SS**  cis-160.2-176.6-19.2-134.3-13.9000107.8
364D34.4Very low31.4Very low124 Ų124152.2 Ų152.266%0.66378%0.784SS**  trans55114.5161.6-55.5-31.3000118.7
365Y32.9Very low31.3Very low224 Ų224156.1 Ų156.188%0.87879%0.786SS**  -178.5100.2101.4-102.4-69.9000111.5
366D31.6Very low31.2Very low142 Ų142156.9 Ų156.976%0.75979%0.791SS**  trans-67160.7160.2-74.8-53.8000111.2
367N30.1Very low31.2Very low155 Ų155158.1 Ų158.183%0.82980%0.797SS**  trans82.763.7170.4-46.2-82.2000118.4
368I34.6Very low31.1Very low168 Ų168152.8 Ų152.886%0.86279%0.785SS**  trans-130.467.7145.7-48-178.5000110.5K370I368-K370 PolarHBondContact O-N 3.48Å
369E30.9Very low31.3Very low179 Ų179154.5 Ų154.584%0.83679%0.792SS**  trans-91.682.7167.9-170.6-170.6-12400110.5
370K30.8Very low31.2Very low178 Ų178151.5 Ų151.577%0.77478%0.776SS**  trans177.6149.6152.5-101.4148.8-168.2168.10112.3I368I368-K370 PolarHBondContact O-N 3.48Å
371L26.7Very low31.4Very low147 Ų147153.2 Ų153.277%0.7778%0.779SS**  trans5793161.1-63.6165.3000117
372N29.4Very low31.2Very low157 Ų157153.2 Ų153.284%0.8478%0.778SS**  -158.8153.689.7-107.9-59.5000114.4
373L27.7Very low31.3Very low146 Ų146151.2 Ų151.276%0.76477%0.769SS**  trans-79.4148178.3-66.8144.2000110.6
374N30Very low31.6Very low170 Ų170149.9 Ų149.991%0.90976%0.762SS**  trans-153.3145.9131-108.8-40.4000113.1
375K27.4Very low31.9Very low198 Ų198150.2 Ų150.286%0.86176%0.759SS**  trans-84.9117.8-173.6-60165.6179.7171.70110.5
376S25.5Very low32.3Very low102 Ų102144.9 Ų144.971%0.71375%0.746SS**  trans167.6103.9134.2540000113.8
377Q31.6Very low32.9Very low180 Ų180143.7 Ų143.784%0.84174%0.735SS**SBend-177.3122.6123-98.8155.3-13.300112.7V379Q377-V379 PolarHBondContact O-N 2.97Å
378S32.3Very low33.7Very low95 Ų95141.9 Ų141.966%0.66473%0.725SS**  trans38.970.5160.453.60000119.8I380S378-I380 PolarHBondContact O-N 3.13Å
379V31.4Very low34.6Very low126 Ų126137.3 Ų137.376%0.76470%0.702SS**THydrogen-bonded Turntrans-74.770.4158.7-173.80000109.5Q377Q377-V379 PolarHBondContact O-N 2.97Å
380I34.5Very low36.1Very low111 Ų111133.9 Ų133.957%0.56969%0.69SS**THydrogen-bonded Turntrans-121.2-36.1-171-66177.7000113S378 N384S378-I380 PolarHBondContact O-N 3.13Å; I380-N384 PolarHBondContact O-ND2 3Å
381E34.8Very low37.7Very low172 Ų172129 Ų12980%0.80467%0.674SS**SBendtrans-88-31.9-173.4-65.3-178136.800114
382L33Very low39.3Very low156 Ų156129 Ų12982%0.81766%0.664SS**THydrogen-bonded Turntrans-94.4-15.5-170.5-76.8169.1000116.1
383H35.4Very low41.5Very low120 Ų120127.7 Ų127.756%0.55665%0.651SS**THydrogen-bonded Turntrans-95.9-23.6-176.8-145.3-35.3000114H387H383-H387 WeakPolarHBondContact O-CB 3.44Å
384N38.2Very low43.6Very low98 Ų98122.9 Ų122.952%0.52464%0.637SS.*Hα-helixtrans-75.3-40.3-176.4-75.1-46.2000113I380 L388I380-N384 PolarHBondContact O-ND2 3Å; N384-L388 WeakPolarHBondContact O-CB 3.27Å; N384-L388 VanDerWaalsContact O-CG 3.29Å; N384-L388 WeakPolarHBondContact O-CG 3.31Å; N384-L388 PolarHBondContact O-N 3.49Å
385H40.2Very low45.4Very low131 Ų131118.5 Ų118.561%0.60662%0.617SS**Hα-helixtrans-62.3-61.7-179-103.6-71.6000112.5H387 L388 D389H385-H387 PolarHBondContact O-N 3.09Å; H385-H387 VanDerWaalsContact O-N 3.15Å; H385-L388 PolarHBondContact O-N 2.83Å; H385-L388 VanDerWaalsContact O-N 3.11Å; H385-D389 IonicContact ND1-OD2 3.97Å; H385-D389 PolarHBondContact O-N 3.33Å
386N41.3Very low47.6Very low112 Ų112113.3 Ų113.360%0.59960%0.595SS**Hα-helixtrans-58.5-33.2-177.8-78-14000113.5N390N386-N390 VanDerWaalsContact O-CB 3.31Å; N386-N390 WeakPolarHBondContact O-CB 3.32Å; N386-N390 PolarHBondContact O-N 3.31Å; N386-N390 VanDerWaalsContact O-N 3.12Å; N386-N390 PolarHBondContact O-ND2 2.92Å
387H44.4Very low49.9Very low117 Ų117111.7 Ų111.754%0.54258%0.584SS.*Hα-helixtrans-78.7-32.4179.8-153-41.5000112.6H383 H385 V391H383-H387 WeakPolarHBondContact O-CB 3.44Å; H385-H387 PolarHBondContact O-N 3.09Å; H385-H387 VanDerWaalsContact O-N 3.15Å; H387-V391 WeakPolarHBondContact O-CB 3.46Å; H387-V391 WeakPolarHBondContact O-CG2 3.42Å; H387-V391 PolarHBondContact O-N 3.31Å; H387-V391 VanDerWaalsContact O-N 3.15Å
388L48.2Very low51.8Low116 Ų116106 Ų10661%0.60756%0.564SS**Hα-helixtrans-72.2-42.4171.6-72.9170.9000111.6N384 H385 N390 V391 W392N384-L388 WeakPolarHBondContact O-CB 3.27Å; N384-L388 VanDerWaalsContact O-CG 3.29Å; N384-L388 WeakPolarHBondContact O-CG 3.31Å; N384-L388 PolarHBondContact O-N 3.49Å; H385-L388 PolarHBondContact O-N 2.83Å; H385-L388 VanDerWaalsContact O-N 3.11Å; L388-N390 VanDerWaalsContact C-N 3.33Å; L388-N390 PolarHBondContact O-N 2.78Å; L388-V391 PolarHBondContact O-N 3.4Å; L388-W392 WeakPolarHBondContact O-CB 3.35Å; L388-W392 PolarHBondContact O-N 3.41Å
389D52.6Low53.8Low72 Ų72106.1 Ų106.139%0.38555%0.554SS.*Hα-helixtrans-64.6-36.8178.9-68-25.5000112.1H385 K393H385-D389 IonicContact ND1-OD2 3.97Å; H385-D389 PolarHBondContact O-N 3.33Å; D389-K393 WeakPolarHBondContact O-CB 3.38Å; D389-K393 VanDerWaalsContact O-CG 3.31Å; D389-K393 WeakPolarHBondContact O-CG 3.4Å; D389-K393 PolarHBondContact O-N 2.89Å
390N63.5Low56Low107 Ų107104.6 Ų104.657%0.57254%0.539SS*.Hα-helixtrans-72.3-38.1174.6-73.7-14.8000112.6N386 L388 G394N386-N390 VanDerWaalsContact O-CB 3.31Å; N386-N390 WeakPolarHBondContact O-CB 3.32Å; N386-N390 PolarHBondContact O-N 3.31Å; N386-N390 VanDerWaalsContact O-N 3.12Å; N386-N390 PolarHBondContact O-ND2 2.92Å; L388-N390 VanDerWaalsContact C-N 3.33Å; L388-N390 PolarHBondContact O-N 2.78Å; N390-G394 PolarHBondContact O-N 2.87Å
391V64.5Low58.1Low75 Ų75106.6 Ų106.646%0.45554%0.54SS..Hα-helixtrans-67.9-37.5173.7167.10000111.1H387 L388 T395H387-V391 WeakPolarHBondContact O-CB 3.46Å; H387-V391 WeakPolarHBondContact O-CG2 3.42Å; H387-V391 PolarHBondContact O-N 3.31Å; H387-V391 VanDerWaalsContact O-N 3.15Å; L388-V391 PolarHBondContact O-N 3.4Å; V391-T395 WeakPolarHBondContact O-CB 3.45Å; V391-T395 PolarHBondContact O-N 3.41Å; V391-T395 PolarHBondContact O-OG1 3.04Å
392W60Low60.1Low147 Ų147103.4 Ų103.456%0.55753%0.528SS*.Hα-helixtrans-60.3-54.3173.6177-90.8000111L388 G394 T395 Q396L388-W392 WeakPolarHBondContact O-CB 3.35Å; L388-W392 PolarHBondContact O-N 3.41Å; W392-G394 PolarHBondContact O-N 2.85Å; W392-T395 PolarHBondContact O-N 2.78Å; W392-T395 VanDerWaalsContact O-N 3.13Å; W392-Q396 VanDerWaalsContact NE1-OE1 3.09Å; W392-Q396 WeakPolarHBondContact O-CB 3.42Å; W392-Q396 PolarHBondContact O-N 2.69Å
393K75.2Confident62.1Low130 Ų130102.3 Ų102.357%0.56551%0.513SS*.Hα-helixtrans-57.9-45.5177.8-73.5170-177.8172.90112.2D389 T395 Q396 S397D389-K393 WeakPolarHBondContact O-CB 3.38Å; D389-K393 VanDerWaalsContact O-CG 3.31Å; D389-K393 WeakPolarHBondContact O-CG 3.4Å; D389-K393 PolarHBondContact O-N 2.89Å; K393-T395 VanDerWaalsContact C-N 3.32Å; K393-T395 PolarHBondContact O-N 3.49Å; K393-Q396 PolarHBondContact O-N 2.77Å; K393-S397 PolarHBondContact O-N 3.17Å; K393-S397 PolarHBondContact O-OG 2.77Å
394G71.3Confident64.2Low46 Ų46103 Ų10347%0.47452%0.516SS..Hα-helixtrans-61.5-38.5176.100000113.2N390 W392 S398N390-G394 PolarHBondContact O-N 2.87Å; W392-G394 PolarHBondContact O-N 2.85Å; G394-S398 WeakPolarHBondContact O-CB 3.41Å; G394-S398 PolarHBondContact O-N 2.88Å; G394-S398 VanDerWaalsContact O-N 3.14Å
395T68.9Low65.9Low78 Ų78102.8 Ų102.848%0.47951%0.512SS..Hα-helixtrans-67.7-46.8175.7-53.30000110.9V391 W392 K393 S398 E399V391-T395 WeakPolarHBondContact O-CB 3.45Å; V391-T395 PolarHBondContact O-N 3.41Å; V391-T395 PolarHBondContact O-OG1 3.04Å; W392-T395 PolarHBondContact O-N 2.78Å; W392-T395 VanDerWaalsContact O-N 3.13Å; K393-T395 VanDerWaalsContact C-N 3.32Å; K393-T395 PolarHBondContact O-N 3.49Å; T395-S398 PolarHBondContact O-N 2.86Å; T395-S398 VanDerWaalsContact O-N 3.11Å; T395-S398 PolarHBondContact O-OG 3.38Å; T395-E399 PolarHBondContact O-N 3.47Å
396Q72.5Confident67.6Low88 Ų88101.3 Ų101.341%0.41151%0.509SS..Hα-helixtrans-60.1-48.7179.8-175.3174.4-16.600111.8W392 K393 S398 E399 E400W392-Q396 VanDerWaalsContact NE1-OE1 3.09Å; W392-Q396 WeakPolarHBondContact O-CB 3.42Å; W392-Q396 PolarHBondContact O-N 2.69Å; K393-Q396 PolarHBondContact O-N 2.77Å; Q396-S398 VanDerWaalsContact C-N 3.25Å; Q396-S398 PolarHBondContact O-N 3.42Å; Q396-E399 PolarHBondContact O-N 2.85Å; Q396-E399 VanDerWaalsContact O-N 3.1Å; Q396-E400 PolarHBondContact O-N 3.43Å
397S74Confident69.1Low69 Ų69100.7 Ų100.748%0.48351%0.505SS..Hα-helixtrans-64.8-27.8175.7-61.40000113.1K393 Y401K393-S397 PolarHBondContact O-N 3.17Å; K393-S397 PolarHBondContact O-OG 2.77Å; S397-Y401 WeakPolarHBondContact O-CB 3.18Å; S397-Y401 PolarHBondContact O-N 2.77Å
398S72.4Confident70.4Confident59 Ų59100.7 Ų100.741%0.41351%0.505SS..Hα-helixtrans-72.4-31.2172.878.70000113.1G394 T395 Q396 L402G394-S398 WeakPolarHBondContact O-CB 3.41Å; G394-S398 PolarHBondContact O-N 2.88Å; G394-S398 VanDerWaalsContact O-N 3.14Å; T395-S398 PolarHBondContact O-N 2.86Å; T395-S398 VanDerWaalsContact O-N 3.11Å; T395-S398 PolarHBondContact O-OG 3.38Å; Q396-S398 VanDerWaalsContact C-N 3.25Å; Q396-S398 PolarHBondContact O-N 3.42Å; S398-L402 WeakPolarHBondContact O-CB 3.48Å; S398-L402 WeakPolarHBondContact O-CG 3.35Å; S398-L402 PolarHBondContact O-N 3.14Å
399E73.5Confident71.4Confident99 Ų9999 Ų9946%0.46350%0.496SS..Hα-helixtrans-74.5-40.9172.9-166.9-175.8146.800111.3T395 Q396 Y401 L402 R403T395-E399 PolarHBondContact O-N 3.47Å; Q396-E399 PolarHBondContact O-N 2.85Å; Q396-E399 VanDerWaalsContact O-N 3.1Å; E399-Y401 VanDerWaalsContact C-N 3.34Å; E399-Y401 PolarHBondContact O-N 3.47Å; E399-L402 PolarHBondContact O-N 2.95Å; E399-R403 WeakPolarHBondContact O-CB 3.19Å; E399-R403 WeakPolarHBondContact O-CG 3.49Å; E399-R403 PolarHBondContact O-N 3.05Å; E399-R403 IonicContact OE1-CZ 3.25Å; E399-R403 IonicContact OE1-NE 2.99Å; E399-R403 PolarHBondContact OE1-NE 2.89Å; E399-R403 IonicContact OE1-NH2 2.65Å
400E77.4Confident71.9Confident93 Ų9399.8 Ų99.844%0.43550%0.5SS..Hα-helixtrans-59.5-43.7173.4-72.6172166.600111.4Q396 R403 Q404Q396-E400 PolarHBondContact O-N 3.43Å; E400-R403 PolarHBondContact O-N 3.12Å; E400-Q404 WeakPolarHBondContact O-CG 3.32Å; E400-Q404 PolarHBondContact O-N 3.09Å
401Y78Confident71.8Confident154 Ų15499.9 Ų99.960%0.60450%0.5SS*.Hα-helixtrans-63.8-42.6174.3-177.8-100.1000112.5S397 E399 Q404 H405S397-Y401 WeakPolarHBondContact O-CB 3.18Å; S397-Y401 PolarHBondContact O-N 2.77Å; E399-Y401 VanDerWaalsContact C-N 3.34Å; E399-Y401 PolarHBondContact O-N 3.47Å; Y401-Q404 PolarHBondContact O-N 2.92Å; Y401-H405 WeakPolarHBondContact O-CB 3.46Å; Y401-H405 PolarHBondContact O-N 3.23Å
402L77.5Confident71.2Confident105 Ų10599.6 Ų99.655%0.5550%0.496SS..Hα-helixtrans-66.5-34.6176-82.7167.7000112.8S398 E399 L406S398-L402 WeakPolarHBondContact O-CB 3.48Å; S398-L402 WeakPolarHBondContact O-CG 3.35Å; S398-L402 PolarHBondContact O-N 3.14Å; E399-L402 PolarHBondContact O-N 2.95Å; L402-L406 WeakPolarHBondContact O-CB 3.27Å; L402-L406 PolarHBondContact O-N 3.33Å
403R76Confident70.9Confident133 Ų13396.7 Ų96.750%0.50249%0.49SS..Hα-helixtrans-65.4-51.6171.9-78.8175.4170.5-87.63110.9E399 E400 H405 L406 D407E399-R403 WeakPolarHBondContact O-CB 3.19Å; E399-R403 WeakPolarHBondContact O-CG 3.49Å; E399-R403 PolarHBondContact O-N 3.05Å; E399-R403 IonicContact OE1-CZ 3.25Å; E399-R403 IonicContact OE1-NE 2.99Å; E399-R403 PolarHBondContact OE1-NE 2.89Å; E399-R403 IonicContact OE1-NH2 2.65Å; E400-R403 PolarHBondContact O-N 3.12Å; R403-H405 VanDerWaalsContact C-N 3.26Å; R403-H405 PolarHBondContact O-N 3.18Å; R403-L406 CarbonylContact O-C 3.6Å; R403-L406 PolarHBondContact O-N 2.94Å; R403-D407 WeakPolarHBondContact O-CB 3.3Å; R403-D407 VanDerWaalsContact O-CG 3.22Å; R403-D407 PolarHBondContact O-N 2.89Å
404Q78.8Confident69.5Low133 Ų13394.6 Ų94.662%0.62149%0.485SS*.Hα-helixtrans-57.1-38.7175.8-71.8175700112.4E400 Y401 H408E400-Q404 WeakPolarHBondContact O-CG 3.32Å; E400-Q404 PolarHBondContact O-N 3.09Å; Y401-Q404 PolarHBondContact O-N 2.92Å; Q404-H408 VanDerWaalsContact O-CB 3.26Å; Q404-H408 WeakPolarHBondContact O-CB 3.41Å; Q404-H408 PolarHBondContact O-N 3.23Å
405H74.6Confident68.4Low94 Ų9496.3 Ų96.344%0.43548%0.483SS..Hα-helixtrans-70.5-36.6175.7-166.2-23.9000112.6Y401 R403 L409Y401-H405 WeakPolarHBondContact O-CB 3.46Å; Y401-H405 PolarHBondContact O-N 3.23Å; R403-H405 VanDerWaalsContact C-N 3.26Å; R403-H405 PolarHBondContact O-N 3.18Å; H405-L409 WeakPolarHBondContact O-CB 3.31Å; H405-L409 WeakPolarHBondContact O-CG 3.4Å; H405-L409 PolarHBondContact O-N 3.23Å
406L75.4Confident67.3Low101 Ų10197.3 Ų97.353%0.52949%0.486SS..Hα-helixtrans-68.7-43.3173.6-93.6163.9000112.1L402 R403 H408 L409 L410L402-L406 WeakPolarHBondContact O-CB 3.27Å; L402-L406 PolarHBondContact O-N 3.33Å; R403-L406 CarbonylContact O-C 3.6Å; R403-L406 PolarHBondContact O-N 2.94Å; L406-H408 VanDerWaalsContact C-N 3.34Å; L406-L409 CarbonylContact O-C 3.54Å; L406-L409 WeakPolarHBondContact O-CB 3.24Å; L406-L409 PolarHBondContact O-N 2.88Å; L406-L410 WeakPolarHBondContact O-CB 3.34Å; L406-L410 PolarHBondContact O-N 3.14Å
407D71.6Confident65.9Low99 Ų9997 Ų9753%0.52949%0.487SS..Hα-helixtrans-64.2-40.3176.7-64.6-28.3000110.3R403 L410 L411R403-D407 WeakPolarHBondContact O-CB 3.3Å; R403-D407 VanDerWaalsContact O-CG 3.22Å; R403-D407 PolarHBondContact O-N 2.89Å; D407-L410 PolarHBondContact O-N 3Å; D407-L411 VanDerWaalsContact O-CB 3.31Å; D407-L411 WeakPolarHBondContact O-CB 3.34Å; D407-L411 PolarHBondContact O-N 2.96Å
408H71.6Confident64.4Low116 Ų11698 Ų9854%0.53749%0.486SS..Hα-helixtrans-70.6-29.9174-158.7-31.8000112.7Q404 L406 N412Q404-H408 VanDerWaalsContact O-CB 3.26Å; Q404-H408 WeakPolarHBondContact O-CB 3.41Å; Q404-H408 PolarHBondContact O-N 3.23Å; L406-H408 VanDerWaalsContact C-N 3.34Å; H408-N412 PolarHBondContact CE1-OD1 3.16Å; H408-N412 PolarHBondContact ND1-OD1 2.82Å; H408-N412 VanDerWaalsContact ND1-OD1 3.13Å; H408-N412 VanDerWaalsContact O-CB 3.26Å; H408-N412 WeakPolarHBondContact O-CB 3.47Å; H408-N412 PolarHBondContact O-N 3.44Å; H408-N412 PolarHBondContact O-OD1 2.96Å
409L69.5Low62.9Low80 Ų8098.5 Ų98.542%0.41949%0.487SS..Hα-helixtrans-70.7-41.5170.6-87.9166.3000111.9H405 L406 N412 I413H405-L409 WeakPolarHBondContact O-CB 3.31Å; H405-L409 WeakPolarHBondContact O-CG 3.4Å; H405-L409 PolarHBondContact O-N 3.23Å; L406-L409 CarbonylContact O-C 3.54Å; L406-L409 WeakPolarHBondContact O-CB 3.24Å; L406-L409 PolarHBondContact O-N 2.88Å; L409-N412 PolarHBondContact O-N 3.31Å; L409-I413 WeakPolarHBondContact O-CB 3.33Å; L409-I413 WeakPolarHBondContact O-CD1 3.45Å; L409-I413 WeakPolarHBondContact O-CG1 3.48Å; L409-I413 PolarHBondContact O-N 3.15Å
410L63.3Low61Low90 Ų9098.8 Ų98.847%0.47149%0.491SS..Hα-helixtrans-64.1-46174.1-90.4149.8000110.9L406 D407 N412 I413 D414L406-L410 WeakPolarHBondContact O-CB 3.34Å; L406-L410 PolarHBondContact O-N 3.14Å; D407-L410 PolarHBondContact O-N 3Å; L410-N412 VanDerWaalsContact C-N 3.29Å; L410-N412 PolarHBondContact O-N 3.22Å; L410-I413 PolarHBondContact O-N 3.42Å; L410-I413 VanDerWaalsContact O-N 3.12Å; L410-D414 PolarHBondContact O-N 2.97Å
411L61.3Low58.9Low108 Ų108100.5 Ų100.557%0.56550%0.499SS*.Hα-helixtrans-61.5-38.3174.9-151.680.4000111.4D407 N415D407-L411 VanDerWaalsContact O-CB 3.31Å; D407-L411 WeakPolarHBondContact O-CB 3.34Å; D407-L411 PolarHBondContact O-N 2.96Å; L411-N415 WeakPolarHBondContact O-CB 3.38Å; L411-N415 PolarHBondContact O-N 3.15Å; L411-N415 PolarHBondContact O-ND2 2.59Å
412N52.8Low56.8Low70 Ų7097.4 Ų97.437%0.37450%0.496SS..Hα-helixtrans-69.8-36.2174-72.93000112.4H408 L409 L410 D416H408-N412 PolarHBondContact CE1-OD1 3.16Å; H408-N412 PolarHBondContact ND1-OD1 2.82Å; H408-N412 VanDerWaalsContact ND1-OD1 3.13Å; H408-N412 VanDerWaalsContact O-CB 3.26Å; H408-N412 WeakPolarHBondContact O-CB 3.47Å; H408-N412 PolarHBondContact O-N 3.44Å; H408-N412 PolarHBondContact O-OD1 2.96Å; L409-N412 PolarHBondContact O-N 3.31Å; L410-N412 VanDerWaalsContact C-N 3.29Å; L410-N412 PolarHBondContact O-N 3.22Å; N412-D416 VanDerWaalsContact O-CB 3.24Å; N412-D416 WeakPolarHBondContact O-CB 3.43Å; N412-D416 VanDerWaalsContact O-CG 3.31Å; N412-D416 PolarHBondContact O-N 2.87Å
413I52.8Low54.7Low86 Ų8697.5 Ų97.544%0.44150%0.496SS..Hα-helixtrans-71.4-41.9177.2-73163.4000111.1L409 L410 D416 I417L409-I413 WeakPolarHBondContact O-CB 3.33Å; L409-I413 WeakPolarHBondContact O-CD1 3.45Å; L409-I413 WeakPolarHBondContact O-CG1 3.48Å; L409-I413 PolarHBondContact O-N 3.15Å; L410-I413 PolarHBondContact O-N 3.42Å; L410-I413 VanDerWaalsContact O-N 3.12Å; I413-D416 CarbonylContact O-C 3.59Å; I413-D416 PolarHBondContact O-N 3.48Å; I413-I417 HydrophobicContact CG2-CD1 3.8Å; I413-I417 HydrophobicContact CG2-CG1 4.49Å; I413-I417 WeakPolarHBondContact O-CB 3.2Å; I413-I417 WeakPolarHBondContact O-CG1 3.45Å; I413-I417 PolarHBondContact O-N 3.37Å
414D45.9Very low52.5Low85 Ų8596.7 Ų96.746%0.45551%0.506SS..Hα-helixtrans-68.7-36.4174.2-75.1-27.5000111L410 I417 N418L410-D414 PolarHBondContact O-N 2.97Å; D414-I417 PolarHBondContact O-N 3.47Å; D414-N418 WeakPolarHBondContact O-CB 3.47Å; D414-N418 PolarHBondContact O-N 2.85Å; D414-N418 PolarHBondContact O-ND2 3.03Å
415N49.5Very low50.2Low82 Ų8294.1 Ų94.144%0.43950%0.503SS..Hα-helixtrans-65.7-41.3170.1-76.4-30.8000111.9L411 I417 N418 T419L411-N415 WeakPolarHBondContact O-CB 3.38Å; L411-N415 PolarHBondContact O-N 3.15Å; L411-N415 PolarHBondContact O-ND2 2.59Å; N415-I417 VanDerWaalsContact C-N 3.34Å; N415-N418 PolarHBondContact O-N 3.2Å; N415-T419 WeakPolarHBondContact O-CB 3.39Å; N415-T419 PolarHBondContact O-N 3.29Å; N415-T419 PolarHBondContact O-OG1 3.44Å
416D44.1Very low48Very low99 Ų9998.2 Ų98.253%0.52952%0.52SS..Hα-helixtrans-67.7-33175.4-83.1-19.9000111.3N412 I413 T419 L420N412-D416 VanDerWaalsContact O-CB 3.24Å; N412-D416 WeakPolarHBondContact O-CB 3.43Å; N412-D416 VanDerWaalsContact O-CG 3.31Å; N412-D416 PolarHBondContact O-N 2.87Å; I413-D416 CarbonylContact O-C 3.59Å; I413-D416 PolarHBondContact O-N 3.48Å; D416-T419 PolarHBondContact O-N 3.43Å; D416-L420 VanDerWaalsContact O-CB 3.26Å; D416-L420 WeakPolarHBondContact O-CB 3.46Å; D416-L420 WeakPolarHBondContact O-CD1 3.5Å; D416-L420 PolarHBondContact O-N 2.92Å
417I44.2Very low45.9Very low83 Ų83100 Ų10043%0.42653%0.53SS..Hα-helixtrans-70.5-43.9173.7-72.8165.2000110.8I413 D414 N415 T419 L420 Q421I413-I417 HydrophobicContact CG2-CD1 3.8Å; I413-I417 HydrophobicContact CG2-CG1 4.49Å; I413-I417 WeakPolarHBondContact O-CB 3.2Å; I413-I417 WeakPolarHBondContact O-CG1 3.45Å; I413-I417 PolarHBondContact O-N 3.37Å; D414-I417 PolarHBondContact O-N 3.47Å; N415-I417 VanDerWaalsContact C-N 3.34Å; I417-T419 VanDerWaalsContact C-N 3.3Å; I417-T419 PolarHBondContact O-N 3.34Å; I417-L420 PolarHBondContact O-N 2.86Å; I417-Q421 WeakPolarHBondContact O-CB 3.37Å; I417-Q421 WeakPolarHBondContact O-CG 3.44Å; I417-Q421 PolarHBondContact O-N 3.34Å
418N42.4Very low43.9Very low88 Ų88102.9 Ų102.947%0.47155%0.545SS..Hα-helixtrans-65.8-34.5173.9-74.4-54.1000111.8D414 N415 T422D414-N418 WeakPolarHBondContact O-CB 3.47Å; D414-N418 PolarHBondContact O-N 2.85Å; D414-N418 PolarHBondContact O-ND2 3.03Å; N415-N418 PolarHBondContact O-N 3.2Å; N418-T422 WeakPolarHBondContact O-CB 3.34Å; N418-T422 PolarHBondContact O-N 3.36Å; N418-T422 PolarHBondContact O-OG1 3.38Å
419T40.2Very low42Very low70 Ų70104.9 Ų104.943%0.42956%0.56SS.*Hα-helixtrans-74.7-37.3175.8-56.90000111N415 D416 I417 T422 I423N415-T419 WeakPolarHBondContact O-CB 3.39Å; N415-T419 PolarHBondContact O-N 3.29Å; N415-T419 PolarHBondContact O-OG1 3.44Å; D416-T419 PolarHBondContact O-N 3.43Å; I417-T419 VanDerWaalsContact C-N 3.3Å; I417-T419 PolarHBondContact O-N 3.34Å; T419-T422 CarbonylContact O-C 3.58Å; T419-T422 WeakPolarHBondContact O-CB 3.43Å; T419-T422 PolarHBondContact O-N 3.42Å; T419-I423 HydrophobicContact CG2-CD1 3.9Å; T419-I423 HydrophobicContact CG2-CG1 4.44Å; T419-I423 WeakPolarHBondContact O-CB 3.28Å; T419-I423 WeakPolarHBondContact O-CG1 3.33Å; T419-I423 PolarHBondContact O-N 2.94Å
420L34.9Very low40.1Very low106 Ų106112.7 Ų112.756%0.55558%0.584SS**Hα-helixtrans-64.4-42.4169.6-102.276.5000111.4D416 I417 T422 I423 T424D416-L420 VanDerWaalsContact O-CB 3.26Å; D416-L420 WeakPolarHBondContact O-CB 3.46Å; D416-L420 WeakPolarHBondContact O-CD1 3.5Å; D416-L420 PolarHBondContact O-N 2.92Å; I417-L420 PolarHBondContact O-N 2.86Å; L420-T422 VanDerWaalsContact C-N 3.28Å; L420-T422 PolarHBondContact O-N 2.92Å; L420-I423 PolarHBondContact O-N 2.87Å; L420-T424 WeakPolarHBondContact O-CG2 3.4Å; L420-T424 PolarHBondContact O-N 3.29Å; L420-T424 PolarHBondContact O-OG1 2.64Å; L420-T424 VanDerWaalsContact O-OG1 3.06Å
421Q33.3Very low38.5Very low129 Ų129116.2 Ų116.260%0.60360%0.602SS**Hα-helixtrans-60.2-40.7173.8-77.6-171.50.900111.2I417 T424I417-Q421 WeakPolarHBondContact O-CB 3.37Å; I417-Q421 WeakPolarHBondContact O-CG 3.44Å; I417-Q421 PolarHBondContact O-N 3.34Å; Q421-T424 WeakPolarHBondContact CA-OG1 3.26Å; Q421-T424 PolarHBondContact O-N 3.45Å; Q421-T424 PolarHBondContact O-OG1 3.45Å
422T33.3Very low36.9Very low89 Ų89119.6 Ų119.655%0.54661%0.612SS.*Hα-helixtrans-64.2-44.8173-55.20000111.7N418 T419 L420 T424 S425N418-T422 WeakPolarHBondContact O-CB 3.34Å; N418-T422 PolarHBondContact O-N 3.36Å; N418-T422 PolarHBondContact O-OG1 3.38Å; T419-T422 CarbonylContact O-C 3.58Å; T419-T422 WeakPolarHBondContact O-CB 3.43Å; T419-T422 PolarHBondContact O-N 3.42Å; L420-T422 VanDerWaalsContact C-N 3.28Å; L420-T422 PolarHBondContact O-N 2.92Å; T422-T424 PolarHBondContact O-N 2.92Å; T422-S425 WeakPolarHBondContact O-CB 3.45Å; T422-S425 PolarHBondContact O-N 3.48Å; T422-S425 VanDerWaalsContact O-N 3.08Å; T422-S425 PolarHBondContact O-OG 3.28Å
423I33.2Very low35.7Very low106 Ų106122.5 Ų122.554%0.54463%0.628SS.*Hα-helixtrans-64.1-37.8177.4-72.3164.8000111.8T419 L420 S425 F426T419-I423 HydrophobicContact CG2-CD1 3.9Å; T419-I423 HydrophobicContact CG2-CG1 4.44Å; T419-I423 WeakPolarHBondContact O-CB 3.28Å; T419-I423 WeakPolarHBondContact O-CG1 3.33Å; T419-I423 PolarHBondContact O-N 2.94Å; L420-I423 PolarHBondContact O-N 2.87Å; I423-S425 PolarHBondContact O-N 3.34Å; I423-F426 PolarHBondContact O-N 3.37Å; I423-F426 VanDerWaalsContact O-N 3.08Å
424T30.6Very low34.5Very low117 Ų117127 Ų12772%0.71865%0.648SS**THydrogen-bonded Turntrans-68.30.3174.350.70000114.2L420 Q421 T422L420-T424 WeakPolarHBondContact O-CG2 3.4Å; L420-T424 PolarHBondContact O-N 3.29Å; L420-T424 PolarHBondContact O-OG1 2.64Å; L420-T424 VanDerWaalsContact O-OG1 3.06Å; Q421-T424 WeakPolarHBondContact CA-OG1 3.26Å; Q421-T424 PolarHBondContact O-N 3.45Å; Q421-T424 PolarHBondContact O-OG1 3.45Å; T422-T424 PolarHBondContact O-N 2.92Å
425S30.2Very low33.7Very low78 Ų78128.6 Ų128.655%0.54567%0.665SS.*THydrogen-bonded Turntrans-95.6-8.8170.676.90000114.1T422 I423T422-S425 WeakPolarHBondContact O-CB 3.45Å; T422-S425 PolarHBondContact O-N 3.48Å; T422-S425 VanDerWaalsContact O-N 3.08Å; T422-S425 PolarHBondContact O-OG 3.28Å; I423-S425 PolarHBondContact O-N 3.34Å
426F28.8Very low32.7Very low181 Ų181130.7 Ų130.779%0.79468%0.683SS**SBendtrans-82.4136.4175.3-98.2-93.8000112.7I423I423-F426 PolarHBondContact O-N 3.37Å; I423-F426 VanDerWaalsContact O-N 3.08Å
427N30.8Very low32.1Very low139 Ų139134.7 Ų134.774%0.74370%0.699SS**PPolyproline II helixtrans-75.7153.7-158.5-76.6-65.5000115.5D429N427-D429 PolarHBondContact O-N 3.33Å
428N28.8Very low31.6Very low158 Ų158136 Ų13685%0.84571%0.712SS**SBendtrans-59.2116.4161-47.5-93.1000109.6
429D32Very low30.8Very low158 Ų158136.8 Ų136.885%0.84572%0.724SS**  trans-163.4-28.8159.1-104-33000113.1N427 L431N427-D429 PolarHBondContact O-N 3.33Å; D429-L431 PolarHBondContact O-N 3.48Å
430W29Very low30.2Very low244 Ų244140.1 Ų140.192%0.92474%0.737SS**  trans-8244.8-171.7-144.4-20.4000115.4
431L29.5Very low29.8Very low164 Ų164146.3 Ų146.386%0.85975%0.753SS**  trans-115.447.4176.6-131.6174.7000112.3D429D429-L431 PolarHBondContact O-N 3.48Å
432K29.5Very low29.6Very low179 Ų179146.8 Ų146.878%0.77877%0.766SS**SBendtrans-160.5150166.3-103.1149.8-172.1174.50110.4
433N26.8Very low29.3Very low132 Ų132150.3 Ų150.371%0.70678%0.778SS**SBendtrans72.4130.2172.3-57.75.5000117.7
434E27.5Very low29.1Very low181 Ų181155.4 Ų155.485%0.84680%0.796SS**  trans64.4123.4147.2-65.8168132.600120.7
435S28.8Very low29.1Very low118 Ų118154.8 Ų154.883%0.82580%0.803SS**  trans-90.3135.3169.253.30000111.7
436P28.3Very low29Very low126 Ų126159.2 Ų159.282%0.81882%0.819SS**  trans-122.2103.816432.8-18.2000113.7
437E32.2Very low29.1Very low182 Ų182160 Ų16085%0.8582%0.823SS**  trans-75.4172138.3-78.3-166.6136.400109.1
438P33.9Very low29.2Very low110 Ų110157.5 Ų157.571%0.71482%0.816SS**  cis-121.2-142.511.731.4-6.3000110.9
439C24.8Very low29.3Very low105 Ų105157.4 Ų157.471%0.70981%0.814SS**  cis-160.2112.69.8-157.70000109.2
440I28.1Very low29.4Very low140 Ų140156.9 Ų156.972%0.71881%0.811SS**  56.6106.285.8-56.4173.3000115.3
441R26.5Very low29.4Very low236 Ų236152 Ų15289%0.89180%0.802SS**  trans-173137.5144-101.9165.4-165.7-170.75.6107.2
442T29.9Very low29.6Very low140 Ų140151.2 Ų151.286%0.85980%0.798SS**  cis-131.6162.624.132.80000114.3
443M26.2Very low29.7Very low163 Ų163149.7 Ų149.780%0.80380%0.798SS**  trans-94.8153.4-176.6-57.8161.5-7600112.8
444K28.6Very low29.9Very low212 Ų212151.1 Ų151.192%0.92280%0.801SS**  174.999.2124.8-96.8165.1-177.2178.10113.9
445A30.7Very low29.9Very low105 Ų105150.5 Ų150.587%0.86880%0.8SS**  trans-17182.2149.800000110.4
446L27.5Very low30Very low170 Ų170151.9 Ų151.989%0.8980%0.797SS**  trans-91130.4-179.9-74.6166.2000112.2
447K31.6Very low29.9Very low199 Ų199150.9 Ų150.987%0.86579%0.788SS**  trans174.5141.4145.8-96.6153.1-176.5-177.20109.6
448S32.1Very low30Very low86 Ų86150.1 Ų150.160%0.60179%0.79SS**  cis-178.2149-1343.90000110.1
449I31.4Very low29.8Very low155 Ų155151.5 Ų151.580%0.79579%0.791SS**  trans73.1137.4157.6-64.2154.1000114.6
450D34Very low30.3Very low148 Ų148153.6 Ų153.679%0.79180%0.801SS**  cis-139.1174.60.3-140.2-25.4000113.7
451I28.8Very low30.5Very low141 Ų141151.5 Ų151.572%0.72380%0.795SS**  trans-108.8144.3-179.8-63.7163.9000110.2
452N34.6Very low30.6Very low148 Ų148147.1 Ų147.179%0.79179%0.789SS**  trans-148.3104.6148.7-149.1-10.1000112.9
453N30.5Very low30.9Very low146 Ų146149.7 Ų149.778%0.78179%0.788SS**  trans-116.7116.1174.1-98.1-17.8000109.3
454Q32Very low31.1Very low163 Ų163149.9 Ų149.976%0.76279%0.785SS**  trans-160.6114.9162.3-109.1162.384.100107.3
455M27.7Very low31.2Very low167 Ų167145 Ų14582%0.82377%0.769SS**  80.6169.790.3-76.6-170.470.500113.6
456I29.7Very low31.3Very low147 Ų147144.9 Ų144.975%0.75476%0.761SS**  trans77.681.4-173.6-50.7172.6000111.6
457T28Very low31.5Very low105 Ų105143.1 Ų143.164%0.64475%0.753SS**  58.6127.482.468.30000115.1
458N34.2Very low31.6Very low167 Ų167140.2 Ų140.289%0.89375%0.745SS**  trans-138.6116.4156.9-92.2-51.4000109
459D27.9Very low31.8Very low138 Ų138142 Ų14274%0.73875%0.748SS**  trans-72.7136.3176.8-67.3-67.9000111.7
460V37.1Very low32.1Very low149 Ų149141.5 Ų141.590%0.90375%0.747SS**  trans-12891.2155.7-176.90000107.6
461T31.6Very low32Very low97 Ų97139.9 Ų139.960%0.59574%0.738SS**  trans-88.5157.317952.50000112
462N29.1Very low32.2Very low144 Ų144139 Ų13977%0.7774%0.735SS**  trans64.594159.6-58.3-47.8000118
463K35.2Very low32.1Very low193 Ų193138.1 Ų138.184%0.83973%0.73SS**  -162.3128.598.8-103.1158.8-172.7172.50113.5
464K31.4Very low32.1Very low168 Ų168137.9 Ų137.973%0.7372%0.724SS**  31.8140.6123.8-61.6-171.8150.2-75.60119.2
465D31Very low31.9Very low110 Ų110136.3 Ų136.359%0.58872%0.717SS**  cis-169.1160.8-10.9-89.8-30.7000105
466S31.4Very low32Very low101 Ų101135.7 Ų135.771%0.70671%0.712SS**  trans64.4143.5158.966.20000118.9
467D32.8Very low32Very low134 Ų134134.4 Ų134.472%0.71771%0.712SS**  cis-165.7150.9-17-106-27.2000109.9
468I33.6Very low32Very low137 Ų137135.8 Ų135.870%0.70371%0.714SS**  trans52.4123.2134-59.8168.3000117.1
469N36.1Very low31.7Very low124 Ų124135.4 Ų135.466%0.66371%0.709SS**  cis-155.1137.729-140.99.1000112N471N469-N471 PolarHBondContact ND2-ND2 2.76Å
470D36.8Very low31.7Very low145 Ų145134.2 Ų134.278%0.77570%0.703SS**  trans-72.3146.3142.3-76.1-60.2000108.6
471N33.4Very low31.2Very low114 Ų114135.4 Ų135.461%0.6170%0.698SS**  trans-166.6114.1145.8-97.6-69.4000106.5N469N469-N471 PolarHBondContact ND2-ND2 2.76Å
472N33Very low30.9Very low123 Ų123135.2 Ų135.266%0.65870%0.701SS**  59.389.981.7-58.5-33.9000111.6
473N31.6Very low30.8Very low128 Ų128133.7 Ų133.768%0.68470%0.697SS**  -172.4143.999.8-90.68.7000108.2
474E30.3Very low30.4Very low141 Ų141132.3 Ų132.366%0.65969%0.693SS**  59134.861.6-60.4-165148.600111.2
475Q28.2Very low30.1Very low130 Ų130128.8 Ų128.861%0.60769%0.689SS**  cis-160.7163.711.8-124.1152.621.500108.3
476E29.3Very low29.9Very low154 Ų154130.6 Ų130.672%0.7270%0.699SS**  trans64.7170.9151.7-68.4176.2145.400116.3
477T30Very low29.6Very low121 Ų121130.2 Ų130.274%0.74270%0.695SS**  cis-130.7136.76.3-32.10000112.8
478L27.8Very low29.4Very low134 Ų134130 Ų13070%0.70269%0.69SS**  trans-32.3143.5150.6-63.7140.8000113.9
479M28.1Very low29.1Very low158 Ų158127.1 Ų127.178%0.77868%0.676SS**  trans165.6103.7137.7-86-79.8171.800106
480N28.2Very low28.7Very low113 Ų113126 Ų12660%0.60467%0.673SS**  80.8142.874.6-75.9-28.4000113.5
481H27.2Very low28.4Very low174 Ų174126.4 Ų126.481%0.80667%0.668SS**  trans72.6153.4175.4-45.9-71.3000116.6
482S24.9Very low28.2Very low93 Ų93126.9 Ų126.965%0.6567%0.666SS**  cis177.1143.5-29.8-171.90000107.5
483V26.7Very low27.9Very low113 Ų113128.6 Ų128.669%0.68567%0.668SS**  trans73.4145.3145150.40000120.4
484E26.7Very low27.7Very low164 Ų164128.1 Ų128.177%0.76667%0.666SS**  trans56.4100157-78.6152-151.400123.2
485S25.6Very low27.7Very low93 Ų93128.2 Ų128.265%0.6567%0.666SS**  66.5137.6109.388.90000122.6
486N26.9Very low27.8Very low149 Ų149127.7 Ų127.780%0.79767%0.668SS**  trans67.4149.6136.5-75.4-27.9000122
487C25.3Very low27.9Very low92 Ų92126.1 Ų126.162%0.62266%0.664SS**  trans83.8136.9142.9-88.80000121.1
488Q28Very low28Very low129 Ų129127.4 Ų127.460%0.60366%0.661SS**  trans79.7132.7135.7-70.5179.1-11.300117.4K554Q488-K554 PolarHBondContact O-NZ 2.95Å
489L26.8Very low28.3Very low78 Ų78126.4 Ų126.441%0.40866%0.657SS.*  67149.595.4-55.4173.7000112.9T551 C552L489-T551 WeakPolarHBondContact CD2-O 3.24Å; L489-C552 HydrophobicContact CD2-CB 3.84Å; L489-C552 PolarHBondContact N-SG 3.11Å
490V28.8Very low28.7Very low99 Ų99125.4 Ų125.460%0.665%0.654SS**  cis-159154.87.189.90000112
491K30.3Very low28.8Very low155 Ų155125.9 Ų125.967%0.67466%0.657SS**  trans68.4131.1152-68-177.6-178.7-95.30119.3
492E28.1Very low29.1Very low123 Ų123124.4 Ų124.458%0.57566%0.655SS**  cis83.7138.849-72.6-175.6148.300113.6
493F26.9Very low29.5Very low160 Ų160127.5 Ų127.570%0.70266%0.659SS**  trans62.6130.5150.3-74.2-58.1000120.5
494N28.3Very low29.7Very low118 Ų118128 Ų12863%0.63166%0.657SS**  trans70.7170.8147.3-61.44.4000114.6
495E30.2Very low29.7Very low143 Ų143127.3 Ų127.367%0.66865%0.654SS**  cis-146.9125.413.2-152.3132.9-106.400113.7
496N29.1Very low29.9Very low119 Ų119128 Ų12864%0.63666%0.659SS**  trans56.6164.2140.7-65.5-17.1000122.1
497N31.5Very low30.4Very low121 Ų121126 Ų12665%0.64766%0.655SS**  trans72.6134.2158.4-56.3-37.5000116.6
498H33.5Very low30.5Very low147 Ų147129.5 Ų129.568%0.68167%0.666SS**  cis-137.5139.3-1.8-98.3-28.9000108.8
499N32.8Very low30.7Very low113 Ų113126.2 Ų126.260%0.60467%0.667SS**  47.296.183.6-59.3-3.3000112.7
500N36.3Very low30.8Very low137 Ų137128.4 Ų128.473%0.73368%0.679SS**  -164122.295.8-83.2-33.1000106.7
501N30.7Very low30.9Very low123 Ų123132.4 Ų132.466%0.65869%0.688SS**  76.6160.871-72-38.4000111.7
502D34.9Very low30.8Very low144 Ų144132.2 Ų132.277%0.7769%0.69SS**  trans77.8127.5174-48.8-18.2000115.6
503E32.6Very low30.9Very low157 Ų157132.9 Ų132.973%0.73469%0.693SS**  cis-151.7155.7-12.9-104.2-164.2135.300110.7
504L29.9Very low31.1Very low123 Ų123130.6 Ų130.664%0.64469%0.688SS**  trans22.7150.4135.2-44179.9000121.1
505Q28.3Very low31.1Very low150 Ų150132.5 Ų132.570%0.70170%0.697SS**  cis-174.3143.2-11.7-112.7176.6-0.900109.1
506S29.7Very low31.3Very low109 Ų109131 Ų13176%0.76270%0.703SS**  trans61.8-177.6150.582.70000116.7
507P36Very low31.5Very low107 Ų107130.4 Ų130.470%0.69571%0.707SS**  cis-108.3147.2-16.341.4-30.5000111.6
508L28.5Very low31.2Very low164 Ų164131.7 Ų131.786%0.85971%0.714SS**  63.7130.391.1-153.277.7000114.2
509G30.7Very low31Very low60 Ų60133 Ų13362%0.61972%0.717SS**  trans138.552.4-17200000111.2
510N29.8Very low30.5Very low124 Ų124134 Ų13466%0.66373%0.728SS**  70109.9100.1-63.8-15.7000111.3
511K30Very low30Very low183 Ų183134 Ų13480%0.79673%0.733SS**  42.8110.480.6-64.3-177178.1-179.80111.4
512Q29.1Very low29.8Very low151 Ų151132.8 Ų132.871%0.70673%0.734SS**  -176.3161.592.2-120.7155.5-95.200111.3
513H30.1Very low29.4Very low138 Ų138131.9 Ų131.964%0.63973%0.734SS**  trans60.3134.1157.9-59.6-52.7000119
514D31.4Very low29.1Very low112 Ų112131.4 Ų131.460%0.59974%0.735SS**  cis-147.9147.1-11.1-96.7-31.4000108.8
515L28.3Very low29Very low157 Ų157131.3 Ų131.382%0.82274%0.735SS**  62.354.464.9-56.2-173.5000115.6
516S33.2Very low29Very low113 Ų113128.5 Ų128.579%0.7974%0.738SS**  trans-172.8151.2141.943.20000110.5
517S35Very low28.7Very low105 Ų105129.4 Ų129.473%0.73474%0.739SS**  cis-160.5105.6-26.346.10000105.7
518L25Very low28.2Very low149 Ų149133.3 Ų133.378%0.7875%0.748SS**  6281.369-162.8111.9000114.9
519K28.2Very low28.1Very low173 Ų173134.1 Ų134.175%0.75275%0.749SS**  trans68158.3147.5-61.8174.1179.5178.70118.6
520T23.3Very low28Very low136 Ų136138.3 Ų138.383%0.83476%0.757SS**  trans64.4123.9175.471.30000112.9
521T25.4Very low27.9Very low136 Ų136137.1 Ų137.183%0.83476%0.759SS**  cis-147.5175.517.845.80000108
522S26.5Very low27.9Very low98 Ų98135.4 Ų135.469%0.68576%0.757SS**  cis-150.5137.1-9.136.90000105.4
523V26Very low28.1Very low125 Ų125134.3 Ų134.376%0.75876%0.756SS**  69.8132.659.2-175.50000112.5
524L26.8Very low28.2Very low146 Ų146135.1 Ų135.176%0.76476%0.759SS**  trans76.4141.7-176.4-43.5-175.4000116
525N26.8Very low28.2Very low121 Ų121135.2 Ų135.265%0.64776%0.764SS**  cis-151.7147.6-19.7-97.5-16.4000106.9V527N525-V527 HydrophobicContact CB-CG2 4.47Å
526A28.3Very low28.3Very low91 Ų91136.5 Ų136.575%0.75276%0.763SS**  cis70.76231.600000114.1
527V24.6Very low28.4Very low129 Ų129137.4 Ų137.478%0.78276%0.759SS**  trans-138.2130.6163.7-173.40000105.4N525N525-V527 HydrophobicContact CB-CG2 4.47Å
528E25.3Very low28.1Very low189 Ų189138.9 Ų138.988%0.88376%0.759SS**  cis-104.8142.77.3-59.6167.1111.800112.2
529M26.5Very low28.4Very low180 Ų180140 Ų14089%0.88776%0.764SS**  trans-129.9149.9144.8-143.3-165.4-170.300108.9
530N27.7Very low28.7Very low149 Ų149136.7 Ų136.780%0.79776%0.76SS**  trans-46.6135.2-162.6-66-43.9000115.3
531S28.3Very low29Very low99 Ų99137.7 Ų137.769%0.69275%0.753SS**  trans-40.2150.8155.655.70000114.4
532L31Very low29.4Very low146 Ų146140 Ų14076%0.76475%0.754SS**  trans7894.2153.7-96.560.9000119.5
533L32.9Very low29.5Very low129 Ų129142.3 Ų142.368%0.67575%0.754SS**  74.7118111.6-93.161.7000121.3
534H31.7Very low30Very low154 Ų154143.4 Ų143.471%0.71375%0.754SS**  trans86.1129.3132-71.3-38.5000122.5
535T32.3Very low30.3Very low115 Ų115141.2 Ų141.271%0.70675%0.751SS**  trans59.1114.6146.251.40000117.8
536K29.2Very low30.3Very low184 Ų184140 Ų14080%0.876%0.758SS**  48.1104.878.8-65.7-172.9175.2-175.60110.1
537D34.9Very low30.5Very low132 Ų132143.5 Ų143.571%0.70676%0.762SS**  -155.2142.264.1-88.1-42.5000110.9
538N29.7Very low30.6Very low136 Ų136145.9 Ų145.973%0.72777%0.765SS**  49.595.882.1-67.4-46.7000114.7
539I32Very low30.5Very low171 Ų171142.2 Ų142.288%0.87776%0.76SS**  -173.5150121.2-97.8156000110.4
540P32.9Very low30.5Very low105 Ų105138.6 Ų138.668%0.68275%0.753SS**  trans-124.6178.3-157.942.4-28.2000116
541K29.8Very low30.4Very low157 Ų157136.7 Ų136.768%0.68375%0.746SS**  trans52.6107.6152.7-78.3-171.6164.4-147.50120E543K541-E543 WeakPolarHBondContact CD-OE1 3.49Å; K541-E543 VanDerWaalsContact CE-OE1 3.3Å; K541-E543 WeakPolarHBondContact CE-OE1 3.39Å; K541-E543 IonicContact NZ-OE1 2.6Å; K541-E543 PolarHBondContact NZ-OE1 2.87Å; K541-E543 IonicContact NZ-OE2 2.92Å
542Q34.4Very low30.2Very low183 Ų183135.8 Ų135.886%0.85574%0.739SS**  -135.5124.3127.4-68.2-178.7-22.900105.5
543E28.5Very low30.1Very low148 Ų148133.6 Ų133.669%0.69274%0.736SS**  cis76.560.313.6-144.6165.2-84.100115.1K541K541-E543 WeakPolarHBondContact CD-OE1 3.49Å; K541-E543 VanDerWaalsContact CE-OE1 3.3Å; K541-E543 WeakPolarHBondContact CE-OE1 3.39Å; K541-E543 IonicContact NZ-OE1 2.6Å; K541-E543 PolarHBondContact NZ-OE1 2.87Å; K541-E543 IonicContact NZ-OE2 2.92Å
544I37.3Very low30Very low147 Ų147135.1 Ų135.175%0.75474%0.737SS**  trans-126.9116.2159.6-64.3-176.3000109.7
545S31.5Very low29.7Very low101 Ų101134.3 Ų134.371%0.70674%0.738SS**  trans-14.8141.1166.752.40000119.5
546A26.9Very low29.4Very low94 Ų94136.1 Ų136.178%0.77774%0.743SS**  cis82.98536.400000116.3
547I33.8Very low29.2Very low166 Ų166131.7 Ų131.785%0.85174%0.735SS**  trans-147.3114155.4-54.8178.5000103.6
548Q25.3Very low28.9Very low178 Ų178133.8 Ų133.883%0.83274%0.741SS**  cis88.2137.831.1-153.8-179.632.500114.1
549S25Very low28.7Very low112 Ų112134.3 Ų134.378%0.78374%0.743SS**  trans72.2144-17476.80000116.2
550S26.4Very low28.7Very low105 Ų105131.3 Ų131.373%0.73473%0.734SS**  cis-161155.9-18.9450000112.9
551T24.2Very low28.3Very low108 Ų108132.6 Ų132.666%0.66374%0.735SS**  trans-23.7138.1164.752.40000118.8L489L489-T551 WeakPolarHBondContact CD2-O 3.24Å
552C24Very low28.2Very low80 Ų80130.7 Ų130.754%0.54173%0.732SS.*  -165.8144.6113.3-159.60000111.8L489L489-C552 HydrophobicContact CD2-CB 3.84Å; L489-C552 PolarHBondContact N-SG 3.11Å
553S29Very low27.7Very low101 Ų101128.4 Ų128.471%0.70673%0.726SS**  trans-90.2150.6160.5-179.20000109.9
554K30.2Very low27.8Very low160 Ų160130 Ų13070%0.69673%0.731SS**  trans-157.3120.7155.6-119.4167.7-179.4176.20111.3Q488Q488-K554 PolarHBondContact O-NZ 2.95Å
555D26.6Very low27.2Very low138 Ų138130.7 Ų130.774%0.73874%0.736SS**  trans-64.3-173.3154.3-77.2-70.4000111
556L25.7Very low27Very low153 Ų153133 Ų13380%0.80174%0.736SS**  trans88.9100.5173.4-73.593.8000116.9
557S25.7Very low27Very low91 Ų91134.7 Ų134.764%0.63674%0.742SS**  75.2133.4117.273.20000119.9
558Q27Very low26.6Very low176 Ų176135.3 Ų135.382%0.82274%0.741SS**  25.5115.1127.4-58.2174.7-11.500116.7
559L25.6Very low26.6Very low146 Ų146130.2 Ų130.276%0.76474%0.736SS**  -143.1123.8123.5-108.1158.9000108.4L561L559-L561 HydrophobicContact CD2-CD1 3.7Å; L559-L561 HydrophobicContact CD2-CG 3.96Å
560P32.1Very low26.5Very low109 Ų109132.3 Ų132.371%0.70874%0.736SS**  trans-75.8-135157.635.7-35.1000107.9
561L26.4Very low26.5Very low131 Ų131133.7 Ų133.769%0.68674%0.743SS**  trans76.9132.6-166.9-45.5174.5000111.8L559L559-L561 HydrophobicContact CD2-CD1 3.7Å; L559-L561 HydrophobicContact CD2-CG 3.96Å
562N26.7Very low26.4Very low117 Ų117137 Ų13763%0.62675%0.745SS**  cis-147.3139.6-4.1-104.2-13.6000111.8F564N562-F564 PolarHBondContact O-N 3.27Å
563D24.7Very low26.7Very low136 Ų136141.1 Ų141.173%0.72776%0.76SS**  12101.4129-57-9.9000116.7
564F29Very low26.6Very low180 Ų180141.8 Ų141.879%0.78976%0.76SS**  trans-127.897.5139.1-93.7-84.7000109.3N562 E566N562-F564 PolarHBondContact O-N 3.27Å; F564-E566 PolarHBondContact O-N 2.84Å
565N26.1Very low26.6Very low162 Ų162141.6 Ų141.687%0.86677%0.766SS**  trans-69.299.5159.3-85.7-59.1000107.9
566E26.9Very low26.6Very low151 Ų151138 Ų13871%0.70676%0.761SS**  trans-140.7124.2168.2-131.4153.1-134.100110.4F564F564-E566 PolarHBondContact O-N 2.84Å
567S26.1Very low26.8Very low129 Ų129136.7 Ų136.790%0.90276%0.76SS**  trans-106.563.2-169.455.50000111.1
568E25.8Very low26.9Very low179 Ų179139.5 Ų139.584%0.83677%0.767SS**  trans-125.4155.1175.4-58.1-162.2154.900109.9
569G25.5Very low27Very low71 Ų71136.5 Ų136.573%0.73277%0.766SS**  cis-169.7166.9-1.400000110.3
570M23Very low27Very low156 Ų156134 Ų13477%0.76876%0.761SS**  trans-65.6135.5-177.7-61.8-157.1-55.400112.6Y572M570-Y572 HydrophobicContact CE-CE2 4.21Å; M570-Y572 HydrophobicContact SD-CE2 4.01Å
571C25.6Very low26.9Very low133 Ų133136.4 Ų136.490%0.89977%0.766SS**  trans-144.8129.2145.8-97.20000110.5
572Y23.4Very low26.9Very low177 Ų177138.6 Ų138.669%0.69477%0.772SS**  trans-88.4140.2176.2-72.1-118.5000109.3M570 V574M570-Y572 HydrophobicContact CE-CE2 4.21Å; M570-Y572 HydrophobicContact SD-CE2 4.01Å; Y572-V574 HydrophobicContact CD1-CG2 4.43Å
573I30.5Very low27.1Very low167 Ų167140.5 Ų140.586%0.85678%0.783SS**  -129.5104126.9-60.5-174.5000107.2
574V27.1Very low27.2Very low116 Ų116139.3 Ų139.370%0.70378%0.78SS**  trans-108.4122.7157.4170.40000105.8Y572Y572-V574 HydrophobicContact CD1-CG2 4.43Å
575D28.3Very low27.1Very low155 Ų155136.6 Ų136.683%0.82977%0.774SS**  trans-152.8135.3153.4-94.1-42.9000105.2
576G28.3Very low27.1Very low62 Ų62134.3 Ų134.364%0.63976%0.762SS**  cis131.6120.717.600000105.5
577V29.2Very low27Very low127 Ų127137.2 Ų137.277%0.7777%0.768SS**  -168.1114.774.6154.10000104.7
578L26.9Very low26.9Very low149 Ų149136.3 Ų136.378%0.7876%0.761SS**  69.2142.695.7-75.8157.4000114.3
579S30.3Very low26.8Very low114 Ų114132 Ų13280%0.79776%0.757SS**  cis-136.5155.418.7-67.10000114.5
580S25.2Very low26.7Very low94 Ų94136.2 Ų136.266%0.65776%0.761SS**  trans-103.2138.4173.954.80000113.3
581I30.1Very low26.8Very low159 Ų159133.8 Ų133.882%0.81576%0.755SS**  trans-145.3108.4154.3-56.9-179.8000103
582Q26Very low26.7Very low177 Ų177133.8 Ų133.883%0.82775%0.751SS**  cis64.178.536.5-124.2-16921.900113.4
583D32.2Very low26.9Very low157 Ų157131.8 Ų131.884%0.8476%0.756SS**  trans-145.9146.7144.3-118.5-31.7000110.4
584T25.3Very low26.7Very low111 Ų111128.8 Ų128.868%0.68175%0.746SS**  trans-113.6157.5-18052.60000110.7
585N28.3Very low26.9Very low123 Ų123128.1 Ų128.166%0.65874%0.744SS**  trans148118.3131.4-77.5-59.2000114.6
586N25.5Very low26.9Very low113 Ų113126 Ų12660%0.60473%0.732SS**  59.2137.8128.1-47.6-29.4000123.3
587Y25.1Very low26.9Very low213 Ų213129.2 Ų129.284%0.83574%0.735SS**  trans65.9148.7154.9-54.2-52000117.8
588S23.8Very low27Very low109 Ų109130.3 Ų130.376%0.76273%0.732SS**  cis-167.5171.7-24-106.70000108.9
589A22.5Very low27Very low90 Ų90130 Ų13074%0.74473%0.731SS**  trans-65.4152.2-179.100000115.9
590I24.9Very low27Very low159 Ų159132.3 Ų132.382%0.81573%0.733SS**  trans176.4107.1146.3-93.5150.8000106.3
591T24.7Very low27.1Very low105 Ų105132.5 Ų132.564%0.64473%0.732SS**  70.5107.671.260.30000117.8
592T24.4Very low27Very low133 Ų133135.1 Ų135.182%0.81673%0.734SS**  trans68.2158.8152.368.50000118.1
593V26Very low27.2Very low134 Ų134134.3 Ų134.381%0.81273%0.73SS**  cis-146.3164.412.4-154.10000110.9
594T27Very low27Very low104 Ų104134.2 Ų134.264%0.63873%0.729SS**  trans-86.7-174165.545.80000112.7I1258T594-I1258 HydrophobicContact CG2-CD1 4.43Å
595P31.4Very low27.1Very low102 Ų102132.2 Ų132.266%0.66273%0.731SS**  cis-133.2-172.2-11.129.9-5.6000116.7I1258P595-I1258 HydrophobicContact CB-CD1 3.33Å
596L27.4Very low27.1Very low111 Ų111135.4 Ų135.458%0.58174%0.739SS**  trans-89.7161.1173-100.4178.8000115N1257 I1258L596-N1257 HydrophobicContact CB-CB 4.27Å; L596-N1257 HydrophobicContact CD1-CB 3.4Å; L596-N1257 VanDerWaalsContact CD1-CB 3.4Å; L596-N1257 HydrophobicContact CG-CB 3.51Å; L596-I1258 HydrophobicContact CB-CD1 4.32Å
597N29Very low27.2Very low129 Ų129137.3 Ų137.369%0.6975%0.749SS**  trans-158163.5144.1-159.315.6000114
598E30.2Very low27.4Very low151 Ų151132.1 Ų132.171%0.70675%0.75SS**  trans78.996159.2-47.7-156179.100122.7
599N27.4Very low27.6Very low142 Ų142136.5 Ų136.576%0.75976%0.759SS**  32.9125122.7-64.2-43.4000121.9
600I31.3Very low27.8Very low163 Ų163137.8 Ų137.884%0.83676%0.763SS**  175.3109.4122.4-87.9150.4000106.9
601C27Very low28Very low97 Ų97139.9 Ų139.966%0.65577%0.769SS**  72.6103.873-92.80000117.2
602Y27.6Very low28.1Very low215 Ų215137.9 Ų137.984%0.84377%0.769SS**  trans68163.5165.1-57.5-75000115.7
603Q29.3Very low28.2Very low160 Ų160137.5 Ų137.575%0.74877%0.77SS**  cis-156.7142.318-154.4164.512.500113.4
604N29Very low28.2Very low154 Ų154143 Ų14382%0.82478%0.777SS**  trans48.8126.5158.7-60.5-9.2000122.2
605G27.4Very low28.2Very low69 Ų69143.4 Ų143.471%0.71178%0.783SS**  141.3110.6126.500000119.9
606F29.1Very low27.8Very low191 Ų191143.6 Ų143.684%0.83879%0.787SS**  trans61.883.8150.3-68.7-79.1000120.4
607D27.3Very low27.8Very low152 Ų152143.7 Ų143.781%0.81379%0.792SS**  40.9100109.2-47.3-16.8000118.6
608A29.6Very low27.6Very low104 Ų104144.9 Ų144.986%0.8680%0.797SS**  trans-142119151.800000109.4S610A608-S610 PolarHBondContact O-N 2.86Å
609E26.1Very low27.6Very low202 Ų202145.1 Ų145.194%0.94480%0.8SS**  trans-80.8113.9-171.1-57.2174.3133.400112
610S26.6Very low27.7Very low117 Ų117144.8 Ų144.882%0.81880%0.798SS**  trans-167.369.4167.3-1790000114.8A608A608-S610 PolarHBondContact O-N 2.86Å
611E29.1Very low27.6Very low203 Ų203143.6 Ų143.695%0.94979%0.789SS**  trans-138.3146.4159.1-88.8-161.8149.600112
612G28.1Very low27.8Very low62 Ų62143.3 Ų143.364%0.63978%0.781SS**  cis162.112.60.700000117.3
613C25.7Very low27.9Very low126 Ų126139 Ų13985%0.85178%0.781SS**  trans5682.5172.1-62.90000116.8
614R27.3Very low28Very low250 Ų250139.3 Ų139.394%0.94379%0.788SS**  trans-124.6117.6150.2-78.6-169.1161.9-168.6-6.6110.6S616R614-S616 PolarHBondContact O-N 3.2Å
615S25.9Very low28.1Very low112 Ų112140.3 Ų140.378%0.78379%0.785SS**  trans-78.3106-164-58.50000113.8V617S615-V617 PolarHBondContact O-N 3.41Å
616S24.4Very low28Very low105 Ų105145.4 Ų145.473%0.73479%0.79SS**  trans-7995.1156.551.90000109.4R614 I618R614-S616 PolarHBondContact O-N 3.2Å; S616-I618 PolarHBondContact O-N 3Å
617V25.6Very low28Very low113 Ų113143.3 Ų143.369%0.68579%0.793SS**  trans-74.491.9-178.2177.20000110.3S615 M619S615-V617 PolarHBondContact O-N 3.41Å; V617-M619 HydrophobicContact CG1-CG 3.97Å; V617-M619 HydrophobicContact CG1-SD 4.36Å; V617-M619 PolarHBondContact O-N 3.06Å
618I26.2Very low28Very low155 Ų155140.8 Ų140.880%0.79579%0.787SS**  trans-80.193.3167.9-57.2176.7000107.7S616 D620S616-I618 PolarHBondContact O-N 3Å; I618-D620 PolarHBondContact O-N 2.78Å
619M28.8Very low27.9Very low156 Ų156140 Ų14077%0.76877%0.773SS**  trans-70.9113.8166.5-72.5-70.9-80.200109V617 E621V617-M619 HydrophobicContact CG1-CG 3.97Å; V617-M619 HydrophobicContact CG1-SD 4.36Å; V617-M619 PolarHBondContact O-N 3.06Å; M619-E621 PolarHBondContact O-N 3.39Å
620D29.4Very low28Very low134 Ų134141.1 Ų141.172%0.71777%0.77SS**  trans-72.3105.2171.6-166.62.8000109.1I618 N622I618-D620 PolarHBondContact O-N 2.78Å; D620-N622 PolarHBondContact O-N 3.37Å
621E29.7Very low28Very low139 Ų139140.1 Ų140.165%0.6576%0.762SS**SBendtrans-69.862.9177.5-72.4-169.3143.400111.5M619 R1604M619-E621 PolarHBondContact O-N 3.39Å; E621-R1604 IonicContact OE2-CZ 2.71Å; E621-R1604 IonicContact OE2-NH1 2.78Å; E621-R1604 PolarHBondContact OE2-NH1 3.47Å; E621-R1604 IonicContact OE2-NH2 2.82Å; E621-R1604 PolarHBondContact OE2-NH2 3.36Å
622N30.8Very low28Very low90 Ų90138.3 Ų138.348%0.48175%0.748SS.*  trans-148.530.3-176.4-145.9109.4000115D620 K1597D620-N622 PolarHBondContact O-N 3.37Å; N622-K1597 WeakPolarHBondContact OD1-CE 3.37Å; N622-K1597 PolarHBondContact OD1-NZ 3.48Å
623C30.5Very low28.2Very low126 Ų126142.1 Ų142.185%0.85175%0.753SS**  trans-110.242.8170-80.90000113.6K625C623-K625 PolarHBondContact O-N 3Å
624D31.3Very low28.6Very low166 Ų166142.4 Ų142.489%0.88875%0.745SS**  trans-70.976.4160.8-81.7-38.8000110
625K30.7Very low29Very low175 Ų175137.1 Ų137.176%0.76173%0.731SS**  trans-142.4112170.5-76.5-159.9172.7-1690113.8C623C623-K625 PolarHBondContact O-N 3Å
626E26.7Very low29.5Very low176 Ų176135 Ų13582%0.82271%0.71SS**  trans51.883.7142.1-59.8-178.8140.300117.7
627V27.5Very low30.1Very low147 Ų147137.1 Ų137.189%0.89171%0.709SS**  trans-121.4143.6154.21800000108.9
628S27.3Very low30.6Very low99 Ų99139.3 Ų139.369%0.69271%0.709SS**  trans-75.6161-165.4-91.80000116Y630S628-Y630 PolarHBondContact O-N 3.03Å
629P27.6Very low31.2Very low88 Ų88136.5 Ų136.557%0.57170%0.696SS**  trans-90.884.9-171.636.4-35.4000113.8
630Y28.2Very low31.7Very low224 Ų224133.8 Ų133.888%0.87869%0.685SS**  trans-139.364.3175.4-87.1-78.3000113.3S628S628-Y630 PolarHBondContact O-N 3.03Å
631C27.4Very low32.1Very low96 Ų96133 Ų13365%0.64968%0.68SS**  trans-168.559.5166.6-161.80000111.7
632Y28.6Very low32.2Very low165 Ų165134.1 Ų134.165%0.64768%0.683SS**  trans-13817.6-168.2-110.7-68.1000117.4N636Y632-N636 PolarHBondContact O-ND2 3.36Å
633D33Very low32.5Very low142 Ų142134.4 Ų134.476%0.75968%0.684SS**SBendtrans-95.8-23.8-174.9-63.4-67.4000115H635D633-H635 PolarHBondContact O-N 3.05Å
634I33.9Very low32.8Very low132 Ų132137.4 Ų137.468%0.67768%0.682SS**THydrogen-bonded Turntrans-77.5-20.2-177.1-60.4176.7000112.8
635H35.6Very low32.9Very low139 Ų139135.8 Ų135.864%0.64467%0.673SS**THydrogen-bonded Turntrans-86.6-10.2-178.5-93.1-64.4000115.3D633D633-H635 PolarHBondContact O-N 3.05Å
636N36.7Very low33Very low67 Ų67132.4 Ų132.436%0.35867%0.668SS.*Hα-helixtrans-82.3-14.9-177.2-68.7-42.7000113.7Y632 N640Y632-N636 PolarHBondContact O-ND2 3.36Å; N636-N640 PolarHBondContact O-ND2 3.07Å
637E37.3Very low33.2Very low151 Ų151130.6 Ų130.671%0.70666%0.664SS**Hα-helixtrans-81.8-41.3-177-163.3160.9-137.400112.3N640 L641E637-N640 PolarHBondContact O-N 3.46Å; E637-L641 PolarHBondContact O-N 2.92Å
638F35.1Very low33.5Very low158 Ų158129.8 Ų129.869%0.69365%0.653SS**Hα-helixtrans-67.6-40.3178.9-97.7-91.9000114.1N640 L641F638-N640 VanDerWaalsContact C-N 3.29Å; F638-N640 PolarHBondContact O-N 3.47Å; F638-L641 PolarHBondContact O-N 3.09Å
639D39.2Very low33.8Very low96 Ų96131.7 Ų131.751%0.51365%0.649SS.*Hα-helixtrans-63.4-36.6177.9-83.2-11.1000111.3L641 I643D639-L641 PolarHBondContact O-N 3.21Å; D639-I643 WeakPolarHBondContact O-CD1 3.47Å; D639-I643 VanDerWaalsContact O-CG1 3.31Å; D639-I643 WeakPolarHBondContact O-CG1 3.49Å; D639-I643 PolarHBondContact O-N 2.91Å
640N39.4Very low34Very low100 Ų100135.3 Ų135.354%0.53566%0.66SS.*Hα-helixtrans-69.7-28.9178.1-83.4-60.2000113.4N636 E637 F638 K644N636-N640 PolarHBondContact O-ND2 3.07Å; E637-N640 PolarHBondContact O-N 3.46Å; F638-N640 VanDerWaalsContact C-N 3.29Å; F638-N640 PolarHBondContact O-N 3.47Å; N640-K644 PolarHBondContact O-N 3.39Å
641L36.8Very low34.2Very low117 Ų117130.9 Ų130.961%0.61365%0.651SS**Hα-helixtrans-71.5-31.9179-129.478.5000113.1E637 F638 D639 N645E637-L641 PolarHBondContact O-N 2.92Å; F638-L641 PolarHBondContact O-N 3.09Å; D639-L641 PolarHBondContact O-N 3.21Å; L641-N645 PolarHBondContact O-ND2 2.98Å; L641-N645 VanDerWaalsContact O-ND2 3.11Å
642F33.4Very low34.7Very low162 Ų162132.9 Ų132.971%0.71165%0.651SS**Hα-helixtrans-82.7-35.8177.1-102.7-89.6000113.2N645 T646F642-N645 PolarHBondContact O-N 3.2Å; F642-T646 PolarHBondContact O-OG1 3.09Å
643I37.5Very low34.9Very low97 Ų97131.1 Ų131.150%0.49765%0.652SS.*Hα-helixtrans-65.1-41.9178.6-69168000110.9D639 N645 T646D639-I643 WeakPolarHBondContact O-CD1 3.47Å; D639-I643 VanDerWaalsContact O-CG1 3.31Å; D639-I643 WeakPolarHBondContact O-CG1 3.49Å; D639-I643 PolarHBondContact O-N 2.91Å; I643-N645 PolarHBondContact O-N 3.24Å; I643-T646 PolarHBondContact O-N 2.95Å
644K35.8Very low34.8Very low188 Ų188129.1 Ų129.182%0.81765%0.649SS**THydrogen-bonded Turntrans-62.7-9.9178.8-90-172.9172-177.60116.1N640N640-K644 PolarHBondContact O-N 3.39Å
645N33Very low34.8Very low132 Ų132131 Ų13171%0.70666%0.655SS**THydrogen-bonded Turntrans-112.810.7-177.1-76.1-57000114.3L641 F642 I643L641-N645 PolarHBondContact O-ND2 2.98Å; L641-N645 VanDerWaalsContact O-ND2 3.11Å; F642-N645 PolarHBondContact O-N 3.2Å; I643-N645 PolarHBondContact O-N 3.24Å
646T33.3Very low34.5Very low105 Ų105128.2 Ų128.264%0.64465%0.651SS**THydrogen-bonded Turntrans-130.5-2.6-176.640.20000117.1F642 I643 I648F642-T646 PolarHBondContact O-OG1 3.09Å; I643-T646 PolarHBondContact O-N 2.95Å; T646-I648 VanDerWaalsContact C-N 3.3Å; T646-I648 PolarHBondContact O-N 2.91Å
647D31.2Very low34.1Very low138 Ų138134.8 Ų134.874%0.73868%0.677SS**  trans-8732.7179.8-77.6-30000114.9K649D647-K649 PolarHBondContact O-N 3.48Å
648I32.6Very low33.7Very low129 Ų129133.6 Ų133.666%0.66268%0.68SS**  trans-76.3107.8168.7-61.2180000108.7T646 M650T646-I648 VanDerWaalsContact C-N 3.3Å; T646-I648 PolarHBondContact O-N 2.91Å; I648-M650 PolarHBondContact O-N 3.42Å
649K34.7Very low33.3Very low140 Ų140131.9 Ų131.961%0.60969%0.687SS**  trans-61.5115.7174.6-66169.5180173.90110.7D647 N651 E652D647-K649 PolarHBondContact O-N 3.48Å; K649-N651 PolarHBondContact O-N 3.19Å; K649-E652 WeakPolarHBondContact CD-OE2 3.49Å; K649-E652 IonicContact NZ-OE2 3.82Å; K649-E652 PolarHBondContact NZ-OE2 3.24Å
650M31.4Very low32.8Very low163 Ų163132.4 Ų132.480%0.80370%0.699SS**THydrogen-bonded Turntrans-7423.5178.3-68.3-72-71.900114.6I648I648-M650 PolarHBondContact O-N 3.42Å
651N32.9Very low32.3Very low131 Ų131134.5 Ų134.570%0.70171%0.708SS**THydrogen-bonded Turntrans-119.2-8.1-174-75.239000114.2K649K649-N651 PolarHBondContact O-N 3.19Å
652E36.7Very low32Very low139 Ų139137.8 Ų137.865%0.6572%0.72SS**SBendtrans-111.310-175.7-72.2170.6122.800113K649K649-E652 WeakPolarHBondContact CD-OE2 3.49Å; K649-E652 IonicContact NZ-OE2 3.82Å; K649-E652 PolarHBondContact NZ-OE2 3.24Å
653I32.9Very low31.7Very low128 Ų128135.7 Ų135.766%0.65673%0.726SS**SBendtrans-117.9-7-177.7-62.6176000112.4
654S32.6Very low31.3Very low99 Ų99134.4 Ų134.469%0.69274%0.737SS**SBendtrans-90.2-3.4-17853.70000115.5
655E33.9Very low31.3Very low172 Ų172133.2 Ų133.280%0.80474%0.738SS**SBendtrans-117-2.2-174.6-62.2-169.1145.900114
656S28Very low31.1Very low81 Ų81134 Ų13457%0.56674%0.741SS**SBendtrans-113.734.3-165.1720000115.8
657F29.1Very low30.7Very low205 Ų205134 Ų13490%0.89975%0.746SS**SBendtrans-15140.4172.5-107.8-62.4000116
658T27.6Very low30.5Very low126 Ų126133.2 Ų133.277%0.77375%0.746SS**  trans-136.7149.6167.841.90000112.2
659S26.8Very low30.3Very low121 Ų121135 Ų13585%0.84675%0.753SS**  trans80.775.7167.6-54.60000119.4
660S30.1Very low29.8Very low107 Ų107134 Ų13475%0.74876%0.759SS**  trans-157.8113.9138.4-164.80000106.9
661I27.9Very low29.6Very low144 Ų144135.4 Ų135.474%0.73876%0.761SS**  58.4119.376.9-55.2168.2000109.2
662Q31.7Very low29.4Very low186 Ų186135 Ų13587%0.86976%0.763SS**  cis-149.6166.637.1-148.8155.118.800114
663S26.9Very low29Very low118 Ų118134.5 Ų134.583%0.82577%0.769SS**  trans-88142.1174.456.30000113.3
664G29.3Very low28.8Very low70 Ų70135.5 Ų135.572%0.72278%0.775SS**  trans-173.2137.8166.900000115.9
665I34.1Very low28.5Very low164 Ų164136.1 Ų136.184%0.84178%0.779SS**  trans64.591157.3-51179.2000115.1
666L28.9Very low28.4Very low149 Ų149131.6 Ų131.678%0.7877%0.771SS**  69.998.887-161.482.7000112.4
667S24.8Very low28.6Very low105 Ų105133.8 Ų133.873%0.73478%0.781SS**  72.279.857.4-174.90000116
668T27.6Very low28.6Very low121 Ų121129.4 Ų129.474%0.74277%0.772SS**  trans-159.7138.9156.4220000113.4
669M27.3Very low28.9Very low167 Ų167129.2 Ų129.282%0.82377%0.77SS**  trans44.1124.5149.4-58.7-173.2-179.800120.2
670T25.6Very low29Very low118 Ų118129.1 Ų129.172%0.72477%0.765SS**  cis74.4120.547.373.10000117.8
671K26.5Very low29.3Very low193 Ų193131.6 Ų131.684%0.83977%0.769SS**  trans83.7147.7157.6-62.4177.2177.31770120.5
672T29.4Very low29.5Very low121 Ų121133.9 Ų133.974%0.74277%0.774SS**  trans73.8120.9164.8-12.90000114.1
673T27.3Very low29.6Very low129 Ų129133.7 Ų133.779%0.79178%0.777SS**  cis86.8138.630.7-43.20000114.1
674I30Very low29.8Very low149 Ų149133.6 Ų133.676%0.76477%0.767SS**  trans102.1124.5171.3-52.8179.8000117.4
675S25.8Very low29.6Very low113 Ų113138.7 Ų138.779%0.7978%0.776SS**  trans-20.6168.1161.5-42.10000120.1
676A32Very low29.2Very low77 Ų77134.9 Ų134.964%0.63676%0.763SS**  cis-170.4161.236.900000116.5
677T30.9Very low29Very low126 Ų126137.6 Ų137.677%0.77377%0.769SS**  trans59.1144.5143.252.40000121
678T30.5Very low29.2Very low114 Ų114138.2 Ų138.270%0.69977%0.768SS**  cis-169.5156.71.513.50000113.4
679T32.5Very low29.2Very low121 Ų121138.2 Ų138.274%0.74277%0.768SS**  trans59.1149.214751.50000123
680T30.3Very low29.4Very low120 Ų120138.3 Ų138.374%0.73677%0.767SS**  cis-172.7163.3-36.112.40000111.8
681N35.2Very low29.5Very low158 Ų158139.3 Ų139.385%0.84577%0.767SS**  trans113.5154.9158.8-62.3-22000118.6
682K33Very low29.7Very low193 Ų193137.2 Ų137.284%0.83977%0.766SS**  trans-142159.4-159.2-59.2177.4176.9-179.50113.5
683I33.6Very low29.5Very low181 Ų181138.2 Ų138.293%0.92877%0.766SS**  trans-160.9165.4138.8-101.3154.2000109
684N31Very low29.6Very low116 Ų116139.3 Ų139.362%0.6277%0.766SS**  -154.5122.7-125.3-172.476.6000116.6C686N684-C686 PolarHBondContact ND2-SG 2.92Å
685I25.6Very low29.4Very low177 Ų177137.9 Ų137.991%0.90876%0.764SS**  trans-139.5134.8149.5-60.5-174.8000107.5
686C25.3Very low29.4Very low84 Ų84138 Ų13857%0.56876%0.761SS**  trans-98.3138.2-149.8-62.60000117.5N684N684-C686 PolarHBondContact ND2-SG 2.92Å
687K25.8Very low29Very low206 Ų206143.5 Ų143.590%0.89677%0.773SS**  trans-112.3126.2143-62.3171.5-178.6171.50107.7
688T28.2Very low28.8Very low118 Ų118142.7 Ų142.772%0.72477%0.771SS**  trans-153.8149.7170.640.20000108.4
689T28.6Very low28.5Very low121 Ų121145.2 Ų145.274%0.74277%0.772SS**  cis69.1112.7-674.10000120.8
690Q29.9Very low28.1Very low169 Ų169145 Ų14579%0.7978%0.776SS**  trans64.2114.6138.8-138.1-171.1-4100120.4
691N27.7Very low28Very low139 Ų139145.9 Ų145.974%0.74378%0.781SS**  174.2163.9110.8-90.3-25.8000113.8
692D30.3Very low27.5Very low150 Ų150142.5 Ų142.580%0.80277%0.769SS**  trans-83.4179.5-175.4-63.1-81.8000115.7
693L26.2Very low27.1Very low142 Ų142140.3 Ų140.374%0.74377%0.767SS**  trans96.892.8142.9-149.582.1000118.4T695L693-T695 HydrophobicContact CD1-CG2 4.1Å
694L29Very low26.7Very low152 Ų152135.2 Ų135.280%0.79676%0.759SS**  trans-134.877.7134.2-121176.9000110.3T696L694-T696 HydrophobicContact CD2-CG2 3.98Å; L694-T696 PolarHBondContact O-N 2.94Å
695T25.6Very low26.7Very low118 Ų118138.4 Ų138.472%0.72477%0.772SS**  trans-75.896.1164.746.80000109.2L693L693-T695 HydrophobicContact CD1-CG2 4.1Å
696T27.1Very low26.7Very low117 Ų117138.1 Ų138.172%0.71877%0.773SS**  trans-115.9121.8159.6370000109.4L694 C698L694-T696 HydrophobicContact CD2-CG2 3.98Å; L694-T696 PolarHBondContact O-N 2.94Å; T696-C698 PolarHBondContact O-N 3.33Å
697E23.8Very low26.9Very low192 Ų192140.3 Ų140.390%0.89778%0.784SS**  trans-65131.8174.5-53172.8121.300110
698C24.9Very low27Very low108 Ų108134.4 Ų134.473%0.7377%0.773SS**  trans-160.3109.9133.5-104.90000113T696T696-C698 PolarHBondContact O-N 3.33Å
699K25.2Very low27.2Very low168 Ų168136.9 Ų136.973%0.7378%0.781SS**  44.4102.5127.7-64171.6-177.7170.40117.5V701K699-V701 PolarHBondContact O-N 3.46Å
700S24.4Very low27Very low116 Ų116135.1 Ų135.181%0.81177%0.774SS**  23.189.7113.862.10000116.4
701V27.2Very low27Very low138 Ų138136.3 Ų136.384%0.83678%0.776SS**  trans-127.5107.5154.8177.40000106.6K699K699-V701 PolarHBondContact O-N 3.46Å
702S24.8Very low27.2Very low87 Ų87136.3 Ų136.361%0.60878%0.781SS**  trans-76173.3162.252.20000109.8
703D26Very low26.9Very low147 Ų147138.7 Ų138.779%0.78678%0.78SS**  trans71.6103.3159.8-47.5-53.7000117.8
704G25.1Very low27Very low75 Ų75137.6 Ų137.677%0.77378%0.781SS**  trans89108.8133.400000118.3
705M29.9Very low26.8Very low182 Ų182134.8 Ų134.890%0.89777%0.774SS**  -153.6109117.6-112175.6-172.700111.8
706N25Very low27Very low171 Ų171136.3 Ų136.391%0.91478%0.777SS**  trans-72.2121.7160.5-78.8-46.4000108.8
707V31.5Very low27Very low131 Ų131138.3 Ų138.379%0.79478%0.782SS**  trans-137.4125.5156.7-177.40000107.8
708A26.4Very low27Very low82 Ų82134.5 Ų134.568%0.67878%0.777SS**  trans-112.9133.6-174.300000112.3
709L32.5Very low27.2Very low169 Ų169135.1 Ų135.189%0.88578%0.782SS**  trans-143.786.3165.8-66.6176.7000104.8
710S25.6Very low27.2Very low85 Ų85130.4 Ų130.459%0.59478%0.781SS**  cis66.8109.741.1152.30000113.1
711K28.7Very low27.3Very low194 Ų194132.5 Ų132.584%0.84378%0.782SS**  trans73.8127.8-173.3-52.1166.7-174.6179.20111.3
712V32.1Very low27.2Very low138 Ų138133.9 Ų133.984%0.83678%0.779SS**  cis-122.5147.228.1175.80000113.3
713Y23.7Very low27.2Very low201 Ų201137.2 Ų137.279%0.78879%0.788SS**  trans-121.8163.4163.3-104.8-87000107.8
714P28Very low27.2Very low118 Ų118133.7 Ų133.777%0.76677%0.772SS**  -133.8142104.136.7-28.8000113.8
715S25.6Very low27.2Very low93 Ų93136.7 Ų136.765%0.6578%0.776SS**  trans-109120.1170.744.20000110.2
716I30.6Very low27.1Very low151 Ų151136 Ų13677%0.77477%0.77SS**  trans-142.8100.7173.6-58-179.4000104.9
717L25.7Very low27Very low159 Ų159138.1 Ų138.183%0.83277%0.767SS**  92.4126.866.1-83.8165.6000113.9
718S24.5Very low26.8Very low112 Ų112137.4 Ų137.478%0.78376%0.762SS**  trans75.169.8143-1680000122.2
719S28.2Very low26.8Very low120 Ų120138.8 Ų138.884%0.83976%0.762SS**  trans-173.4138.5131.143.30000108.3
720G25.1Very low26.5Very low69 Ų69138.1 Ų138.171%0.71176%0.755SS**  77.910457.900000107.7
721I28.4Very low26.6Very low161 Ų161140.8 Ų140.883%0.82676%0.762SS**  -137.1149.750.5-76.9161.7000113.1I723I721-I723 HydrophobicContact CG2-CD1 4.02Å
722Q23.8Very low26.6Very low166 Ų166136.8 Ų136.878%0.77676%0.759SS**  trans-90.5131.4166.6-72.3174.6-18.700111.7V724Q722-V724 HydrophobicContact CB-CG2 3.92Å
723I25.9Very low26.6Very low157 Ų157135.7 Ų135.781%0.80575%0.754SS**  trans-146.8104133.4-68.8100.4000104.4I721I721-I723 HydrophobicContact CG2-CD1 4.02Å
724V25.9Very low26.8Very low73 Ų73135.9 Ų135.944%0.44276%0.755SS.*  69.884.252.9-173.70000112.2Q722 H726Q722-V724 HydrophobicContact CB-CG2 3.92Å; V724-H726 HydrophobicContact CG1-CB 3.9Å; V724-H726 VanDerWaalsContact CG1-CG 3.42Å; V724-H726 PolarHBondContact O-N 2.83Å; V724-H726 VanDerWaalsContact O-N 3.1Å
725T24.5Very low27Very low139 Ų139137.1 Ų137.185%0.85376%0.755SS**  trans-64.896.5155.934.60000109.4
726H27.4Very low27Very low166 Ų166139.7 Ų139.777%0.76976%0.756SS**  trans-120.7144.7170.2-87.84.7000112.8V724V724-H726 HydrophobicContact CG1-CB 3.9Å; V724-H726 VanDerWaalsContact CG1-CG 3.42Å; V724-H726 PolarHBondContact O-N 2.83Å; V724-H726 VanDerWaalsContact O-N 3.1Å
727Y24Very low26.9Very low217 Ų217142.9 Ų142.985%0.85176%0.76SS**  trans-78.7177.7-175.5-89.8-112.2000111.8
728T26.2Very low26.9Very low115 Ų115138.8 Ų138.871%0.70675%0.749SS**  trans73.9113.8147.538.30000119.4
729T25.8Very low26.9Very low111 Ų111140.6 Ų140.668%0.68176%0.755SS**  76.2127.912956.10000122.1
730H26.7Very low27Very low155 Ų155140.1 Ų140.172%0.71875%0.752SS**  trans70.1113.9138.9-73.6-56.8000120.9
731N28.7Very low27.1Very low141 Ų141146.1 Ų146.175%0.75476%0.759SS**  trans75.9130.4135.5-541000117.7
732S28.8Very low27.1Very low110 Ų110145.4 Ų145.477%0.76976%0.755SS**  trans-57157.9164.3570000112.1
733P30.6Very low27.3Very low115 Ų115145.3 Ų145.375%0.74775%0.754SS**  -131.6148.4108.936.7-30.8000114.3
734Y27.9Very low27.2Very low205 Ų205142.4 Ų142.480%0.80475%0.748SS**  trans-56.8143.2155.4-96-120.7000109.9H736Y734-H736 AromaticContact CD1-NE2 3.99Å
735L32.4Very low27.4Very low145 Ų145145 Ų14576%0.75976%0.76SS**  trans-129.298.8163.1-124.6170.6000110Y737L735-Y737 HydrophobicContact CD2-CE2 4.2Å; L735-Y737 PolarHBondContact O-N 3.28Å
736H25.3Very low27.9Very low147 Ų147145.6 Ų145.668%0.68176%0.757SS**  trans-68.6123.4171.8-86.2-103.9000110.5Y734Y734-H736 AromaticContact CD1-NE2 3.99Å
737Y29.1Very low27.9Very low218 Ų218145 Ų14586%0.85576%0.759SS**  trans-114.589.1139-80.9-87.1000106.6L735L735-Y737 HydrophobicContact CD2-CE2 4.2Å; L735-Y737 PolarHBondContact O-N 3.28Å
738A26.8Very low28.4Very low72 Ų72140.6 Ų140.660%0.59576%0.757SS**  71.591.277.300000111.4S740A738-S740 PolarHBondContact O-N 2.85Å
739T24.7Very low28.5Very low150 Ų150142.4 Ų142.492%0.9276%0.758SS**  trans-58.8120.4163.847.70000110
740S28.6Very low28.8Very low111 Ų111148 Ų14878%0.77677%0.768SS**  trans-128.4132.7160.8-167.10000110.1A738A738-S740 PolarHBondContact O-N 2.85Å
741K27.1Very low28.9Very low195 Ų195144.8 Ų144.885%0.84876%0.759SS**  trans-80.2131.1176.6-59168.6-177.8173.90109
742I29.7Very low29Very low146 Ų146143.4 Ų143.475%0.74976%0.758SS**  trans-154.695.4149.5-87.4127.2000102.5
743E27Very low29Very low163 Ų163142 Ų14276%0.76275%0.747SS**  75.992.883.9-74.1-171.9149.900113.9
744S24.8Very low29.1Very low96 Ų96143.2 Ų143.267%0.67174%0.743SS**  trans79.8151.813677.90000120.9
745N29.3Very low29.4Very low129 Ų129142.3 Ų142.369%0.6974%0.74SS**  trans79.9107.5152.3-55.1-27.2000120
746N35Very low29.2Very low150 Ų150139.6 Ų139.680%0.80273%0.733SS**  trans87.4104.5138.6-52.7-13.1000119.4
747L27.1Very low29.4Very low153 Ų153139 Ų13980%0.80174%0.735SS**  trans-64158.2145.1-73.981000110.2
748P34.5Very low29.4Very low125 Ų125135.4 Ų135.481%0.81273%0.73SS**  trans-95.3113.7138.825.3-10.7000110
749E29.7Very low29.3Very low154 Ų154136.3 Ų136.372%0.7273%0.732SS**  trans-67.2155.3162.5-75.1177.5101.400111.1V751E749-V751 HydrophobicContact CB-CG2 4.18Å; E749-V751 HydrophobicContact CG-CG2 4.47Å
750Y31.1Very low29.4Very low229 Ų229136.6 Ų136.690%0.89873%0.725SS**  trans-137.6123.8145.3-154.2-96.1000110.3
751V29.3Very low29.3Very low87 Ų87138.6 Ų138.653%0.52773%0.725SS.*  trans-135.6137.1-163.6169.40000109.4E749E749-V751 HydrophobicContact CB-CG2 4.18Å; E749-V751 HydrophobicContact CG-CG2 4.47Å
752P30.7Very low29.3Very low112 Ų112132.3 Ų132.373%0.72772%0.716SS**  -127120.8118.43.418000109.7
753S28.3Very low29.1Very low79 Ų79134.7 Ų134.755%0.55272%0.723SS**  53.3115.972.990.40000110.8
754Q33.7Very low29.1Very low142 Ų142130.4 Ų130.466%0.66472%0.723SS**  cis-157.4162.244.2-79.215648.500109.9
755Y32.6Very low29.2Very low185 Ų185131.2 Ų131.273%0.72573%0.728SS**  cis-151.41564-104.4-43.2000111.8
756S29.3Very low29.1Very low89 Ų89129.4 Ų129.462%0.62273%0.726SS**  12.4145.6126.1-480000120.3
757N29.1Very low28.7Very low135 Ų135129.2 Ų129.272%0.72272%0.72SS**  cis-169.3161.25.5-121.3-8.5000112.6
758L28.4Very low28.7Very low141 Ų141129.2 Ų129.274%0.73871%0.714SS**  trans54.1113.6154.1-56.1164.8000117.6
759S24.5Very low28.4Very low92 Ų92129.5 Ų129.564%0.64371%0.709SS**  72.1136.65287.80000116.4
760M26.6Very low28.3Very low156 Ų156129.4 Ų129.477%0.76871%0.708SS**  trans89.5127.7158.7-64.8-70.3-90.500120.7
761I28.3Very low28.2Very low153 Ų153124 Ų12479%0.78570%0.698SS**  trans66.1116.1148.8-60162.6000119
762G25.8Very low28.3Very low63 Ų63124.4 Ų124.465%0.64970%0.696SS**  113.2134.8116.900000119.7
763H26.8Very low28.1Very low195 Ų195129.1 Ų129.190%0.90370%0.7SS**  trans36.389145.4-69.7-76.8000121
764G25.5Very low28.1Very low74 Ų74131.4 Ų131.476%0.76371%0.706SS**  70-167.6126.400000117.8
765S27.3Very low28Very low112 Ų112132.6 Ų132.678%0.78372%0.715SS**  trans4288.6-179.3-118.30000115.4
766S26.9Very low27.9Very low91 Ų91128.7 Ų128.764%0.63671%0.712SS**  76.9142.888.771.80000116
767H27.3Very low28.1Very low146 Ų146130.6 Ų130.668%0.67672%0.721SS**  trans86.4143.8141.4-120.9-67.1000119.6
768F26.1Very low27.9Very low153 Ų153128.8 Ų128.867%0.67172%0.718SS**  trans65.4123.5177.1-59.1-84.5000115.5
769N29.5Very low28Very low132 Ų132129.4 Ų129.471%0.70672%0.722SS**  cis68.7157.549.1-64.3-40.7000113.7
770H28.2Very low28.1Very low151 Ų151132.2 Ų132.270%0.69973%0.729SS**  trans71.8149.5-176.9-65.5-47.7000114.5I772H770-I772 WeakPolarHBondContact ND1-CD1 3.47Å
771V28.7Very low28.1Very low115 Ų115130.7 Ų130.770%0.69773%0.729SS**  cis-135119.85.3105.50000108.1
772I30.1Very low27.9Very low96 Ų96130.9 Ų130.949%0.49273%0.731SS.*  56.4110.994.2-58.4174.8000114.4H770H770-I772 WeakPolarHBondContact ND1-CD1 3.47Å
773R28.3Very low27.9Very low211 Ų211132.4 Ų132.480%0.79673%0.731SS**  -173.7127.1105.2-115.3115.2-158.4-170.94108.9
774N27.7Very low27.8Very low127 Ų127131 Ų13168%0.67973%0.725SS**  67.2136.994.7-60.821.4000112.2
775I32.2Very low27.8Very low167 Ų167132.7 Ų132.786%0.85672%0.72SS**  cis-136.1147.246.4-75.7167.8000112.9
776P29.4Very low27.7Very low104 Ų104133.7 Ų133.768%0.67572%0.717SS**  trans-118.5159.6-175.741.7-31.7000115.9
777T33.8Very low27.7Very low129 Ų129135.1 Ų135.179%0.79172%0.722SS**  trans-157.5117.715429.50000106.6
778S25.6Very low27.6Very low97 Ų97132.8 Ų132.868%0.67872%0.722SS**  72.313972.783.70000112.3
779L28.8Very low27.6Very low154 Ų154130 Ų13081%0.80672%0.722SS**  cis-154.1157.420.4-124.5143.5000111.6
780N27.5Very low27.5Very low150 Ų150132.4 Ų132.480%0.80273%0.731SS**  trans-68.9151.6152-83.4-29.3000109.5
781V26.6Very low27.7Very low125 Ų125132.4 Ų132.476%0.75873%0.729SS**  trans166.8123.3152.8141.60000106.1
782L23.6Very low27.8Very low157 Ų157132.7 Ų132.782%0.82273%0.733SS**  45.4126.8100.8-112.167.7000112
783S26Very low27.6Very low95 Ų95132.6 Ų132.666%0.66473%0.733SS**  cis-154.9148.926.353.50000108.3
784Q25Very low27.5Very low165 Ų165132.6 Ų132.677%0.77174%0.735SS**  56.4134.683.9-142.3-177.211.700113.9
785T25.7Very low27.4Very low109 Ų109131.1 Ų131.167%0.66973%0.734SS**  trans68.7145.1173.275.30000116.1
786D25.4Very low27.2Very low133 Ų133130.4 Ų130.471%0.71173%0.731SS**  cis-163.5-170-23.7-109.9-43.9000109.8
787T25.7Very low27.1Very low122 Ų122129.4 Ų129.475%0.74873%0.726SS**  trans4.7140.2148.3600000118.7
788S26.2Very low26.7Very low97 Ų97132 Ų13268%0.67873%0.727SS**  cis-179.5-1796.747.10000109.1
789S25.4Very low26.7Very low93 Ų93131.6 Ų131.665%0.6572%0.724SS**  trans38.6121.8146.4630000119
790M29Very low26.7Very low183 Ų183129.4 Ų129.490%0.90172%0.721SS**  -165.4163.162.7-82.9-171.3145.600112.9
791K31.9Very low26.8Very low152 Ų152127.3 Ų127.366%0.66171%0.714SS**  trans-71.6155.6158.3-56.1173.5103-151.40109.5D793K791-D793 WeakPolarHBondContact CB-OD2 3.4Å; K791-D793 WeakPolarHBondContact CE-OD1 3.11Å; K791-D793 IonicContact NZ-OD1 2.7Å; K791-D793 PolarHBondContact NZ-OD1 3.41Å; K791-D793 IonicContact NZ-OD2 3.9Å
792P29.7Very low27Very low120 Ų120128.8 Ų128.878%0.77971%0.712SS**  -111.4151.282.9-8.728.2000111.5
793D25.6Very low27.3Very low94 Ų94126.6 Ų126.650%0.50370%0.702SS.*  cis77.8147.234.5-63.8-42.5000115.1K791K791-D793 WeakPolarHBondContact CB-OD2 3.4Å; K791-D793 WeakPolarHBondContact CE-OD1 3.11Å; K791-D793 IonicContact NZ-OD1 2.7Å; K791-D793 PolarHBondContact NZ-OD1 3.41Å; K791-D793 IonicContact NZ-OD2 3.9Å
794Y27Very low27.7Very low211 Ų211131.7 Ų131.783%0.82771%0.712SS**  trans74.3117.6-165.1-57.3-84.8000113.5
795C25.5Very low28.3Very low97 Ų97129 Ų12966%0.65571%0.707SS**  64131.651.6-52.80000110.7
796L28.7Very low28.7Very low151 Ų151129.9 Ų129.979%0.79171%0.714SS**  cis-125.3151.239.1-61.8158.7000111.5
797S26.5Very low29Very low83 Ų83133.2 Ų133.258%0.5872%0.716SS**  cis74.981.222.7-48.60000116.3
798F26.7Very low29.3Very low185 Ų185133.7 Ų133.781%0.81172%0.715SS**  trans-159.5103.2143.2-87.6-62.9000107.2
799S25.3Very low29.5Very low87 Ų87136 Ų13661%0.60871%0.712SS**  90.910777.471.10000111.2
800S28.4Very low29.8Very low108 Ų108139.8 Ų139.876%0.75572%0.717SS**  95.7162.895.674.90000110.5
801V29.7Very low29.7Very low107 Ų107139 Ų13965%0.64871%0.711SS**  cis-144.4134.311.492.40000105.7
802E29.8Very low29.5Very low155 Ų155140 Ų14072%0.72472%0.718SS**  58.615497.4-67.1-165-163.100115.7
803N31.3Very low29.2Very low111 Ų111140.4 Ų140.459%0.59472%0.719SS**  cis-168.3157.8-11.5-115.2-39.3000107
804K33.7Very low29.2Very low202 Ų202144.8 Ų144.888%0.87873%0.733SS**  177.7120.7109.9-96.5165.3-173.1172.20113.4
805V36.7Very low29.1Very low110 Ų110142.7 Ų142.767%0.66773%0.733SS**  trans-108.3150.9171.1-1630000108.4R807V805-R807 HydrophobicContact CB-CB 4.29Å; V805-R807 HydrophobicContact CG1-CB 3.93Å
806P34.3Very low29.1Very low126 Ų126143.6 Ų143.682%0.81874%0.735SS**  trans-128.9118.113433.3-22.7000109.9
807R31.9Very low29.3Very low203 Ų203142.4 Ų142.477%0.76674%0.74SS**  cis70.891.323.4-154.1-168.8-154.3-173.810.6114.2V805V805-R807 HydrophobicContact CB-CB 4.29Å; V805-R807 HydrophobicContact CG1-CB 3.93Å
808N32.6Very low29.3Very low133 Ų133143.9 Ų143.971%0.71175%0.745SS**  trans172.2154.4137-88-22.1000110.4
809K30.6Very low29.3Very low145 Ų145143 Ų14363%0.6374%0.744SS**  cis179171.6-28-119.1-173.8-158.8170.50107.7
810F30.3Very low29.5Very low172 Ų172144.6 Ų144.675%0.75475%0.745SS**  trans67.9131.9171.3-59.7-77.2000114.3
811H27.6Very low29.9Very low168 Ų168146.3 Ų146.378%0.77875%0.746SS**  cis106.7148.530.9-92.5-60.7000112.1
812Q27.3Very low30Very low172 Ų172147.6 Ų147.680%0.80475%0.749SS**  trans69.999.4165.8-68.3-178.32.600118.5
813T24.7Very low30.1Very low128 Ų128146.3 Ų146.379%0.78575%0.746SS**  25.7132.6106-29.60000119.2
814K24.8Very low30.1Very low187 Ų187151 Ų15181%0.81376%0.755SS**  trans93.7157.5165.1-58.6-173177-179.50116.9
815M25.5Very low30.1Very low166 Ų166149.9 Ų149.982%0.81875%0.75SS**  trans67.1114.1178.1-48.3-54.4-133.700113.3
816V25.8Very low29.9Very low117 Ų117150.1 Ų150.171%0.70975%0.747SS**  65.291.859.2-176.10000110.9T818V816-T818 WeakPolarHBondContact CG1-OG1 3.37Å
817S31.4Very low29.9Very low126 Ų126152.1 Ų152.188%0.88174%0.744SS**  trans-104.871.6163.660.10000109.3
818T26.5Very low29.8Very low114 Ų114150.3 Ų150.370%0.69974%0.744SS**  trans-96165.9158.4-36.20000107.3V816V816-T818 WeakPolarHBondContact CG1-OG1 3.37Å
819E28.3Very low29.8Very low167 Ų167151 Ų15178%0.7875%0.746SS**  trans75.3142.9-177.4-54.6-160.8168.700114.9
820N29.1Very low30Very low119 Ų119149.5 Ų149.564%0.63675%0.751SS**  cis-156136.1-16.3-108.7-28.4000108.7
821N35.3Very low30Very low144 Ų144150 Ų15077%0.7775%0.753SS**  171.6131.1124.3-85.1-12.2000113.4
822D32.5Very low30.1Very low134 Ų134149.1 Ų149.172%0.71775%0.754SS**  trans74.4101.1142.8-68.1-41.7000124.2
823I32.1Very low30.1Very low128 Ų128145.7 Ų145.766%0.65675%0.749SS**  103.689.9125.4-65.4167.2000118.1
824R32Very low30.4Very low210 Ų210145.2 Ų145.279%0.79275%0.746SS**  trans65.3143.8132.8-60.7177.4-168.3-1780.8117.5
825K33.2Very low30.5Very low178 Ų178147.6 Ų147.677%0.77475%0.75SS**  cis-173.3159.11.1-105.6175.3175.7-171.50105.7
826L31.3Very low30.9Very low115 Ų115144.5 Ų144.560%0.60274%0.742SS**  cis-168.4169.6-22.2-151.9106.2000108.3
827F34.5Very low30.9Very low169 Ų169144.8 Ų144.874%0.74174%0.744SS**  trans72.4122.1177.4-50.3-76.7000115.4
828H30.3Very low30.7Very low165 Ų165145.9 Ų145.976%0.76475%0.745SS**  cis70.6135.441.3-55.3-61.6000113.2
829I33Very low30.9Very low147 Ų147143.9 Ų143.975%0.75475%0.747SS**  cis-158139.646.1-69.6168.4000110.9
830P34.8Very low30.9Very low114 Ų114143.3 Ų143.374%0.7475%0.749SS**  trans-110.3147.3157.636.8-28.9000112.6
831K30.2Very low31.1Very low182 Ų182142.8 Ų142.879%0.79175%0.752SS**  trans-172.7143.9165.4-110.5156-173.5176.40112.9
832N28.7Very low30.7Very low149 Ų149139.6 Ų139.680%0.79774%0.741SS**  trans38.7148.3135.6-58.714.6000120.3
833S28.1Very low30.7Very low100 Ų100142.6 Ų142.670%0.69975%0.748SS**  cis173.6175.4-6.6171.80000107.1
834T32Very low30.5Very low118 Ų118142.8 Ų142.872%0.72475%0.75SS**  trans77.694.4149-33.60000119.6
835R26.3Very low30.5Very low237 Ų237137.7 Ų137.789%0.89475%0.747SS**  59.3174.8121.6-102.4-165.1170176.5-2.4119.2
836P34.1Very low30.1Very low101 Ų101133.6 Ų133.666%0.65674%0.741SS**  trans-132.3-175-134.238.6-17.4000116.7
837T25.6Very low30Very low124 Ų124137.1 Ų137.176%0.76175%0.751SS**  trans89.1145.8155.7-18.40000117.8
838V26.7Very low29.7Very low148 Ų148134.9 Ų134.990%0.89775%0.751SS**  trans72.7126.3167.9-165.20000116.4
839G30.1Very low29.6Very low72 Ų72132 Ų13274%0.74275%0.75SS**  trans169.252.7177.200000116
840L28.9Very low29.3Very low155 Ų155133.7 Ų133.781%0.81275%0.752SS**  trans-71.2146.1169.7-80.5164.9000110.5
841P34Very low29.1Very low109 Ų109135 Ų13571%0.70875%0.753SS**  -131.2148.279.137.1-25.8000113.9
842S25.8Very low29.3Very low77 Ų77131.3 Ų131.354%0.53875%0.749SS.*  cis81.867.326.788.70000116.9
843F33.1Very low29.4Very low197 Ų197129.4 Ų129.486%0.86475%0.746SS**  trans-152.5152.1149.1-86-87000109.3
844N28.5Very low29.4Very low132 Ų132129.1 Ų129.171%0.70674%0.743SS**  cis-171.2165.1-44.5-130.3-35.3000107.4
845S31.1Very low29Very low102 Ų102128.9 Ų128.971%0.71374%0.742SS**  trans60.6125.7-177.663.10000115.7
846S25.2Very low29Very low93 Ų93122.9 Ų122.965%0.6573%0.734SS**  cis83.6142.12694.10000115.6
847K28.6Very low28.6Very low188 Ų188125.4 Ų125.482%0.81774%0.737SS**  trans71.7140.8171.7-60.3172.4-179.1176.70114.4
848T27.7Very low28.6Very low122 Ų122126.3 Ų126.375%0.74873%0.733SS**  cis171.2177.7-1333.80000104.1
849S28.3Very low28.7Very low105 Ų105128.1 Ų128.173%0.73473%0.731SS**  trans81.8130.4-173.979.50000111.3
850K27.7Very low28.6Very low183 Ų183130.2 Ų130.280%0.79672%0.724SS**  cis58.8125.347.6-53.9-173.1175.6-173.80109.4
851D30.5Very low28.6Very low141 Ų141134 Ų13475%0.75473%0.727SS**  cis-138.9154.541.5-73.8-55.8000113.9
852S35.1Very low28.4Very low104 Ų104133.4 Ų133.473%0.72773%0.726SS**  trans-81.4130153.355.90000109.9
853P30.5Very low28.6Very low110 Ų110136 Ų13671%0.71474%0.739SS**  -123.4126.4127.333.1-26.5000108.4
854S27Very low28.3Very low93 Ų93132 Ų13265%0.6573%0.731SS**  cis61.5132.433106.70000113.3
855V24.5Very low28.1Very low114 Ų114131.6 Ų131.669%0.69173%0.733SS**  trans7091.5172.8-170.30000116.4
856C26.3Very low27.8Very low110 Ų110131 Ų13174%0.74373%0.729SS**  53.4150.1127.1-54.60000121.9
857H25.4Very low27.8Very low155 Ų155132 Ų13272%0.71873%0.731SS**  153.4146.6117.3-79.891.1000109
858Q26.1Very low27.7Very low143 Ų143130.1 Ų130.167%0.66873%0.73SS**  cis164.3102.1-20164171.5-39.400105.5
859H29.2Very low27.8Very low185 Ų185131.1 Ų131.186%0.85673%0.731SS**  trans-161.3139.5169.8-105.4-87.9000110
860I28.2Very low27.7Very low117 Ų117132.1 Ų132.160%0.673%0.733SS**  cis-162.5152.4-42.2-117.5160.8000107.3
861R28.2Very low27.6Very low233 Ų233126.9 Ų126.988%0.87973%0.731SS**  trans68.1129.4-173.1-73.9172173.4156.7-2.3114.1
862S30.1Very low27.2Very low98 Ų98127 Ų12769%0.68573%0.73SS**  cis-148135.64.7-75.90000112.9
863T28.5Very low27.2Very low131 Ų131128.2 Ų128.280%0.80473%0.733SS**  50.7131.5128.3-42.90000121.1
864V26.9Very low27Very low113 Ų113128.1 Ų128.169%0.68573%0.733SS**  cis-172.2156.5-21.482.20000109.4
865T25.4Very low26.9Very low124 Ų124128.6 Ų128.676%0.76174%0.735SS**  trans57.6-179165.152.80000119
866S24.8Very low26.9Very low90 Ų90126.5 Ų126.563%0.62973%0.729SS**  -168.9168.8-64.3640000110.2
867T25.4Very low27.1Very low112 Ų112128.9 Ų128.969%0.68773%0.734SS**  trans59.9134.114945.30000122.3
868D26.2Very low27.2Very low150 Ų150126.9 Ų126.980%0.80273%0.728SS**  trans87.1157.9139.5-65-21.7000124
869N29.2Very low27.2Very low142 Ų142123.5 Ų123.576%0.75972%0.717SS**  trans-80.8-172-177.1-73.5-73.3000112.3G871N869-G871 PolarHBondContact O-N 2.98Å
870T26.6Very low26.9Very low126 Ų126121.3 Ų121.377%0.77371%0.707SS**  trans70.533.8152.338.30000117.8I872T870-I872 WeakPolarHBondContact O-CG1 3.4Å; T870-I872 PolarHBondContact O-N 3.27Å
871G25Very low26.8Very low74 Ų74120.9 Ų120.976%0.76371%0.706SS**  trans54.8-128.3134.600000116.1N869N869-G871 PolarHBondContact O-N 2.98Å
872I22.9Very low26.7Very low143 Ų143115.6 Ų115.673%0.73370%0.695SS**  trans57.289.2-178.9-49.5169.3000110.8T870T870-I872 WeakPolarHBondContact O-CG1 3.4Å; T870-I872 PolarHBondContact O-N 3.27Å
873T34.1Very low26.6Very low130 Ų130117.4 Ų117.480%0.79870%0.697SS**  43.3104.198.9-51.40000112.3
874P27.1Very low26.4Very low108 Ų108116 Ų11670%0.70169%0.688SS**  -131.6150.6118.836.1-29.5000113.9
875C24.3Very low26.3Very low102 Ų102116 Ų11669%0.68968%0.68SS**  trans23.6110.2131.2-51.10000115.8
876A25.6Very low26.3Very low70 Ų70118.5 Ų118.558%0.57968%0.676SS**  102.3140.385.600000110.7L878A876-L878 HydrophobicContact CB-CB 3.67Å; A876-L878 HydrophobicContact CB-CD1 4.48Å
877L29Very low26.6Very low160 Ų160120.2 Ų120.284%0.83868%0.678SS**SBendcis-92.6117.212.3-58.6163.3000110.2
878L27.8Very low26.9Very low113 Ų113121.2 Ų121.259%0.59267%0.674SS**  cis37.7118.332.2-137.4-167.1000112.3A876A876-L878 HydrophobicContact CB-CB 3.67Å; A876-L878 HydrophobicContact CB-CD1 4.48Å
879T25.8Very low27.4Very low72 Ų72120.8 Ų120.844%0.44267%0.672SS.*  trans64.5176.2165.329.80000114.5
880Q24.7Very low27.8Very low139 Ų139121.3 Ų121.365%0.6567%0.673SS**  cis-112.883.73.8-131.594.831.300113.2
881N25Very low28.1Very low109 Ų109124.4 Ų124.458%0.58368%0.676SS**  trans60.7-161.3161.7-9.2-77.3000111
882L26.8Very low28.5Very low121 Ų121125.7 Ų125.763%0.63467%0.671SS**  cis-110.6132.3-7.5-72.869.2000105.3V884L882-V884 HydrophobicContact CB-CB 3.71Å; L882-V884 HydrophobicContact CB-CG2 3.66Å; L882-V884 VanDerWaalsContact CB-N 3.33Å; L882-V884 HydrophobicContact CD2-CG2 3.72Å; L882-V884 HydrophobicContact CG-CB 4.26Å; L882-V884 HydrophobicContact CG-CG2 3.68Å
883N27.1Very low28.7Very low137 Ų137128.6 Ų128.673%0.73367%0.673SS**  cis38.628.335.1-147.317.9000115.8Q885N883-Q885 WeakPolarHBondContact O-CB 3.37Å
884V24.2Very low28.4Very low101 Ų101130.1 Ų130.161%0.61267%0.671SS**  trans-112.986.9153.3161.7000099.5L882L882-V884 HydrophobicContact CB-CB 3.71Å; L882-V884 HydrophobicContact CB-CG2 3.66Å; L882-V884 VanDerWaalsContact CB-N 3.33Å; L882-V884 HydrophobicContact CD2-CG2 3.72Å; L882-V884 HydrophobicContact CG-CB 4.26Å; L882-V884 HydrophobicContact CG-CG2 3.68Å
885Q25.4Very low28.3Very low112 Ų112135.3 Ų135.352%0.52368%0.677SS.*  cis49.113047.1-171-147.9102.900108.9N883N883-Q885 WeakPolarHBondContact O-CB 3.37Å
886R26.3Very low28.4Very low178 Ų178137.5 Ų137.567%0.67268%0.681SS**  trans78.7103-167.5-51.9169.1-158.715611.9109.2
887N29.6Very low28.4Very low125 Ų125139.7 Ų139.767%0.66869%0.687SS**  98.217767.6-79.6-1.9000106.4
888E32.6Very low28.3Very low133 Ų133137.8 Ų137.862%0.62169%0.686SS**  trans64.499.5152.8-71.7133.2-120.600113.8
889N35.3Very low28.3Very low141 Ų141139.5 Ų139.575%0.75469%0.691SS**  64.3161.479-61.8-41.1000111.4
890I38.2Very low28.5Very low153 Ų153143.6 Ų143.679%0.78571%0.705SS**  trans68.799.3172.4-47.1153.9000111.7
891K32.7Very low28.9Very low191 Ų191141.2 Ų141.283%0.8370%0.701SS**  cis57.8119.518.7-166.6-170.5-173.9-1710112.7
892P33Very low29.1Very low102 Ų102143.9 Ų143.966%0.66272%0.715SS**  cis-135.9-139.22.436.3-11.6000111.2
893R27.4Very low29.4Very low204 Ų204142.5 Ų142.577%0.7772%0.715SS**  trans25.1122.4144.5-66.3174.6175.2172.6-4.5118.3
894E28.8Very low29.7Very low162 Ų162146 Ų14676%0.75772%0.718SS**  -161.9144.694-107.7120.2-132.600106.9
895R24.8Very low30.1Very low216 Ų216146.7 Ų146.782%0.81572%0.718SS**  64.6155.762.4-68.6-176.2158.8-163-5.7113.5
896L27Very low30.5Very low149 Ų149147 Ų14778%0.7872%0.724SS**  trans73109.2-178.5-48.7177.8000111.5
897T24.6Very low30.9Very low116 Ų116146 Ų14671%0.71273%0.725SS**  59.797.166.171.10000113.1
898C27.6Very low31.1Very low120 Ų120146.9 Ų146.981%0.81172%0.724SS**  -138.9139.7123.6-83.30000104.7
899E27.3Very low31Very low148 Ų148145.5 Ų145.569%0.69273%0.725SS**  56.6126.159.2-54.8-62.8172.800108.4
900H29.6Very low30.8Very low159 Ų159144 Ų14474%0.73673%0.726SS**  cis-177.4179.940.9-120.17.7000106.4
901P32.7Very low30.3Very low89 Ų89140.8 Ų140.858%0.57872%0.717SS**  -139.4-166.8-74.135.2-12.1000112.2
902L30.1Very low30.2Very low165 Ų165138.5 Ų138.586%0.86472%0.719SS**  trans66.7171.2163.3-48.8166.8000114.3
903S32.1Very low29.9Very low92 Ų92140.2 Ų140.264%0.64372%0.721SS**  cis-150.6143.21.892.50000112.5
904R33.6Very low30.1Very low210 Ų210138.6 Ų138.679%0.79273%0.727SS**  trans77128.4149.7-56.4-160.5118.2129.93.9118.4
905D32.6Very low29.9Very low116 Ų116136.1 Ų136.162%0.6273%0.727SS**  73.7141.273.3-37.5-23.2000109.9
906D35.3Very low30.5Very low119 Ų119131.4 Ų131.464%0.63673%0.725SS**  cis-171.6175.318.8-141.5-20.2000113.6
907F34.3Very low30.8Very low157 Ų157132.6 Ų132.669%0.68973%0.73SS**  trans54153.7159.8-67-71.4000122
908E33.7Very low30.9Very low142 Ų142132.8 Ų132.866%0.66474%0.735SS**  cis-176.6159.7-38.2-121-166.518000113.3
909T30.2Very low31.3Very low104 Ų104132.3 Ų132.364%0.63873%0.73SS**  trans52.9158.8150.969.70000121
910S30.9Very low31.5Very low111 Ų111135.3 Ų135.378%0.77674%0.741SS**  cis-151.8-173.228.8-72.10000112.9
911S28Very low31.5Very low85 Ų85136.4 Ų136.459%0.59475%0.746SS**  174.580.5-66.7-83.60000112.5
912V30.1Very low31.7Very low143 Ų143136.7 Ų136.787%0.86775%0.748SS**  trans-135.8100.7167.8-174.30000108
913I28.1Very low31.6Very low138 Ų138134.7 Ų134.771%0.70874%0.743SS**  69.198.965.5-52167.6000113.9
914L30.1Very low31.6Very low169 Ų169135.4 Ų135.489%0.88575%0.748SS**  -171.8164.8120.2-98.6172.2000109.9
915S26.4Very low31.4Very low111 Ų111131.1 Ų131.178%0.77674%0.741SS**  trans-137.6-150.8-158.1-52.40000114.6
916P36.1Very low31.4Very low117 Ų117133.4 Ų133.476%0.7675%0.747SS**  -118.6-173.8-124.736.8-17.1000114
917I32.9Very low31.2Very low174 Ų174134 Ų13489%0.89275%0.751SS**  trans-165.1145.2136.2-101.2150.5000113.9
918C27.9Very low31.2Very low120 Ų120134.9 Ų134.981%0.81176%0.757SS**  trans-59.8-178.8-176.9-96.40000118.7
919P35.5Very low31.1Very low109 Ų109138.3 Ų138.371%0.70876%0.763SS**  trans-115.9-175.7-14444.8-38.9000115.6
920K32.2Very low31Very low211 Ų211139 Ų13992%0.91777%0.768SS**  trans-165.2152.1142.8-105.2147-169.91770115.9
921Q29.8Very low31Very low182 Ų182139.1 Ų139.185%0.8576%0.764SS**  trans-75.5-177.1164.4-102.7176.9-25.300111.8
922P35.5Very low31Very low96 Ų96143 Ų14362%0.62377%0.772SS**  cis-140.7-154.4-20.733.8-10.5000113.7
923T28.3Very low31Very low123 Ų123142.8 Ų142.876%0.75577%0.766SS**  trans87.9147.8143.736.70000123.1
924S31.8Very low31.1Very low106 Ų106142.3 Ų142.374%0.74177%0.765SS**  trans73.7140.2164.671.50000118.7
925D29.7Very low30.9Very low121 Ų121139.4 Ų139.465%0.64775%0.754SS**  cis-164.7174.6-28.8-137.1-71.7000112.2
926H33.1Very low31.2Very low163 Ų163143.2 Ų143.276%0.75576%0.757SS**  trans67.2122.6167.1-56.93.5000116.8
927N30.7Very low30.7Very low133 Ų133141.6 Ų141.671%0.71175%0.753SS**  cis85.9146.329.6-65.3-40.4000117.1
928H33.8Very low30.6Very low175 Ų175143.1 Ų143.181%0.8175%0.749SS**  trans77.4141172.4-65.5-54.7000117.6
929R31.1Very low30.5Very low213 Ų213147 Ų14780%0.80475%0.753SS**  cis-153.3150.7-4.6-158.4169.2-178.4165.5-1.3113.3
930T29.8Very low30Very low120 Ų120148.7 Ų148.774%0.73675%0.753SS**  trans-54.2-174.1162.129.10000116.2
931V31.2Very low29.8Very low113 Ų113146.3 Ų146.369%0.68574%0.742SS**  trans102.597.1-176.6179.80000109.8
932Q27Very low29.6Very low165 Ų165142.5 Ų142.577%0.77174%0.735SS**  cis61.110232.9-168.7-171.9700113.4
933N30.9Very low29.3Very low140 Ų140145.5 Ų145.575%0.74975%0.745SS**  trans168.6155160.2-87-23.4000107.1
934D28.5Very low29.2Very low128 Ų128144.3 Ų144.368%0.68474%0.742SS**  cis172.4137.4-34.8-116.11.1000105.9
935V27Very low29.1Very low107 Ų107145 Ų14565%0.64874%0.742SS**  trans40.899143.5-170.10000119
936K32.8Very low29.3Very low191 Ų191146.9 Ų146.983%0.8375%0.747SS**  -168131.1122-90.8130.8-157.11620109.3
937A25.9Very low29.2Very low84 Ų84146.2 Ų146.269%0.69475%0.748SS**  cis80.250.720.800000116.9
938Y29.9Very low29.1Very low206 Ų206144.5 Ų144.581%0.80875%0.745SS**  trans-144131.6146.2-83.7-83.6000106.2
939K25.6Very low28.8Very low202 Ų202140 Ų14088%0.87873%0.734SS**  cis66.262.120.6-158.1-171176.8177.40114.9
940M26.1Very low28.9Very low143 Ų143137.1 Ų137.170%0.70473%0.729SS**  trans-153.6109.4163.3-160.566.7142.300113.6
941K28.2Very low28.9Very low162 Ų162138 Ų13870%0.70472%0.723SS**  trans50.4115.4141.5-62.7-179.2-176.5-179.60122.5
942C24.9Very low28.8Very low102 Ų102139.6 Ų139.669%0.68972%0.723SS**  66.1128.2110.9-57.30000122.5
943N28.8Very low28.9Very low158 Ų158137.5 Ų137.585%0.84572%0.717SS**  trans81.2149.1141.2-58.10000119.8
944S26.2Very low28.9Very low98 Ų98138 Ų13869%0.68572%0.72SS**  cis175.4110.9-36.6160.50000109.7
945T31.1Very low29Very low121 Ų121137.4 Ų137.474%0.74272%0.72SS**SBendtrans175.3131.3148.333.60000107.9
946H32.8Very low29.3Very low161 Ų161141.7 Ų141.775%0.74573%0.73SS**  cis-138.3139.4-9.4-105-78.4000110
947L30.1Very low29.2Very low148 Ų148141.4 Ų141.478%0.77573%0.729SS**  trans2.8151.4156-73.393.8000120.5
948C28.9Very low29.4Very low97 Ų97147.5 Ų147.566%0.65574%0.74SS**  cis-174.6115-19.6-126.90000104.5
949S29Very low29.3Very low82 Ų82144 Ų14457%0.57374%0.736SS**  47.5108.971.870.50000116.2
950H32.3Very low29.4Very low152 Ų152139.5 Ų139.570%0.70473%0.725SS**  165.7139.8127.4-90.5-67.8000109.7
951F29.9Very low29.4Very low139 Ų139141.8 Ų141.861%0.6173%0.731SS**  cis-166.7155.4-20.3-122-153.2000105.9
952E29.8Very low29.4Very low146 Ų146141.6 Ų141.668%0.68274%0.737SS**  42.8138.280.9-65.1178.1-15900113.7
953D28.6Very low29.5Very low121 Ų121142.9 Ų142.965%0.64774%0.741SS**  cis-164.2168.1-13.9-147.4-18.5000107.2
954N31.4Very low29.5Very low151 Ų151143.6 Ų143.681%0.80774%0.739SS**  trans179.985143.1-104.5-69000112.6K956N954-K956 PolarHBondContact O-N 3.41Å
955V30Very low29.5Very low115 Ų115145.1 Ų145.170%0.69775%0.745SS**  trans-62.1129.5165.5174.40000111.4
956K33.1Very low29.5Very low196 Ų196145.6 Ų145.685%0.85275%0.748SS**  trans-156132.6144.8-108.2140-166.9166.40113.8N954N954-K956 PolarHBondContact O-N 3.41Å
957K30.9Very low29.1Very low185 Ų185145 Ų14580%0.80475%0.75SS**  trans-59149.2170.8-57.3170.5176.4179.60110.7
958F28.8Very low29.1Very low213 Ų213145.9 Ų145.993%0.93476%0.755SS**  -155.4158.4119-115.3-73.9000112.3
959D28.6Very low29Very low133 Ų133150.9 Ų150.971%0.71176%0.761SS**  trans-91.1156.7-168-104.4-64.3000115.1
960T28.7Very low29.1Very low106 Ų106154.7 Ų154.765%0.6578%0.775SS**  trans62.8116.4154.753.10000121.6
961K25.7Very low28.9Very low192 Ų192155.2 Ų155.284%0.83578%0.778SS**  56105.7129.4-56.7173.1-177.1174.30118.8
962L28Very low28.9Very low157 Ų157156.2 Ų156.282%0.82279%0.789SS**  -146.2152120-155.960.2000111.5
963V27.5Very low28.8Very low129 Ų129158 Ų15878%0.78280%0.798SS**  trans-104.9126.5168.6169.50000107.3
964Q28.8Very low28.6Very low173 Ų173157.8 Ų157.881%0.80881%0.805SS**  trans-155.3131.2154-123.1161.6-5.200112
965T24.4Very low28.3Very low130 Ų130156.5 Ų156.580%0.79880%0.802SS**  trans-92.2127.6172.947.40000109.5
966T31.2Very low28.1Very low132 Ų132155.3 Ų155.381%0.8180%0.798SS**  trans-156137.4158.217.80000108.5
967D24.9Very low27.7Very low149 Ų149155.2 Ų155.280%0.79780%0.8SS**  trans-78.8133.9-175.6-41.7-90.5000111.1
968L31.1Very low27.5Very low166 Ų166152.8 Ų152.887%0.86979%0.792SS**  trans-135.4122.2157.5-78.1177.1000107.7
969Y26.7Very low27.4Very low202 Ų202148.7 Ų148.779%0.79278%0.784SS**  trans-80.7124.6166.1-83.5-116000107.9
970D31.1Very low27.3Very low162 Ų162151.6 Ų151.687%0.86679%0.787SS**  trans-116.3107.1152.4-88-49.1000106.8
971E28.5Very low27.1Very low162 Ų162157.1 Ų157.176%0.75780%0.795SS**  trans-83.2120.1167-64.7-174.6141.400108.3
972N28.4Very low27.2Very low160 Ų160155.4 Ų155.486%0.85679%0.794SS**  trans174.4174.9142.3-96-59.5000111.5
973E28.5Very low27.2Very low184 Ų184154.8 Ų154.886%0.8679%0.787SS**  trans67.376.2165.9-51.5-153.3142.300118.4
974C23.9Very low27.2Very low117 Ų117154.9 Ų154.979%0.79179%0.79SS**  trans-15.8130.2135.1-179.20000116.4
975T25.9Very low27.1Very low123 Ų123152.5 Ų152.576%0.75578%0.783SS**  -178.1147.8122.925.30000115.6
976C26Very low27.2Very low91 Ų91153.3 Ų153.362%0.61578%0.782SS**  trans50.590.7148.7-60.60000121H978C976-H978 PolarHBondContact O-N 3.38Å; C976-H978 PolarHBondContact O-ND1 2.9Å
977H24.9Very low27.3Very low194 Ų194157.7 Ų157.790%0.89879%0.79SS**  trans-55.199.1150.4-90.4-84000111.3T979H977-T979 PolarHBondContact O-N 2.9Å; H977-T979 VanDerWaalsContact O-N 3.12Å
978H26.2Very low27.6Very low134 Ų134159.5 Ų159.562%0.6279%0.791SS**  trans-81.186.3171.7-87.473.2000111.1C976 Y980C976-H978 PolarHBondContact O-N 3.38Å; C976-H978 PolarHBondContact O-ND1 2.9Å; H978-Y980 VanDerWaalsContact C-N 3.3Å; H978-Y980 HydrophobicContact CB-CD2 4.02Å; H978-Y980 HydrophobicContact CB-CE2 3.72Å; H978-Y980 WeakPolarHBondContact O-CD2 3.39Å; H978-Y980 PolarHBondContact O-N 2.79Å
979T26.3Very low27.6Very low127 Ų127159.5 Ų159.578%0.77979%0.792SS**  trans-68.589.1164.3-54.40000108.8H977 R981H977-T979 PolarHBondContact O-N 2.9Å; H977-T979 VanDerWaalsContact O-N 3.12Å; T979-R981 PolarHBondContact O-N 3.39Å
980Y25.7Very low27.9Very low194 Ų194155.8 Ų155.876%0.76180%0.796SS**  trans-60.9103.7-177.5-87.5-86.1000111.5H978 I982H978-Y980 VanDerWaalsContact C-N 3.3Å; H978-Y980 HydrophobicContact CB-CD2 4.02Å; H978-Y980 HydrophobicContact CB-CE2 3.72Å; H978-Y980 WeakPolarHBondContact O-CD2 3.39Å; H978-Y980 PolarHBondContact O-N 2.79Å; Y980-I982 PolarHBondContact O-N 2.94Å
981R25.1Very low27.6Very low221 Ų221151.7 Ų151.783%0.83479%0.792SS**  trans-76.187.1-178.8-169.8-172.9-154.716112.3110T979 Q983T979-R981 PolarHBondContact O-N 3.39Å; R981-Q983 PolarHBondContact O-N 3Å
982I27.6Very low27.8Very low156 Ų156150.5 Ų150.580%0.879%0.79SS**  trans-61.8107175.3-60.2177000109.1Y980Y980-I982 PolarHBondContact O-N 2.94Å
983Q28.1Very low27.8Very low145 Ų145152.4 Ų152.468%0.67879%0.79SS**  trans-80.9124.3169.8-68.9174.5-27.600108.7R981 D985R981-Q983 PolarHBondContact O-N 3Å; Q983-D985 VanDerWaalsContact C-N 3.3Å; Q983-D985 PolarHBondContact O-N 3.13Å; Q983-D985 VanDerWaalsContact O-N 3.12Å
984P27.7Very low28Very low131 Ų131149.4 Ų149.485%0.85179%0.785SS**  trans-87.766.1178.835.9-34.9000111.2
985D26.2Very low28.4Very low123 Ų123149 Ų14966%0.65878%0.783SS**  trans-106.8134173.3-87-50.9000111.4Q983Q983-D985 VanDerWaalsContact C-N 3.3Å; Q983-D985 PolarHBondContact O-N 3.13Å; Q983-D985 VanDerWaalsContact O-N 3.12Å
986N28.3Very low29Very low147 Ų147149.9 Ų149.979%0.78678%0.777SS**  trans63.993.4174.9-50.4-63.8000117.7
987F32.1Very low29.4Very low223 Ų223152.5 Ų152.598%0.97878%0.78SS**  -150.4150.3129.2-103.9-72.1000110
988K32.5Very low30Very low188 Ų188152.3 Ų152.382%0.81777%0.771SS**  trans-111.4146.9-171.7-68.9-177.9179.6177.20112.7S990K988-S990 PolarHBondContact O-N 3.01Å
989D29.9Very low30.6Very low165 Ų165148.8 Ų148.888%0.88276%0.759SS**  trans15.193.6151-58-41000118.7
990S32.2Very low31.2Very low124 Ų124149.3 Ų149.387%0.86775%0.753SS**  trans-148.6128.113960.90000107.9K988K988-S990 PolarHBondContact O-N 3.01Å
991G26.8Very low32Very low77 Ų77147.4 Ų147.479%0.79475%0.748SS**  trans-126.2162.2-164.800000114.9
992I31.6Very low32.4Very low137 Ų137142.8 Ų142.870%0.70374%0.739SS**  trans-144.7138.6164.3-95.1147.5000107.8Y1433I992-Y1433 VanDerWaalsContact CD1-OH 3.31Å; I992-Y1433 WeakPolarHBondContact CD1-OH 3.44Å
993K29.4Very low33Very low200 Ų200140.7 Ų140.787%0.8773%0.729SS**  trans-91.2140.2179.9-65.7174.8175.7177.30111.3
994T32.5Very low33.6Very low121 Ų121135.8 Ų135.874%0.74271%0.714SS**  trans-162.6125144.731.60000112.1
995S32.1Very low33.9Very low108 Ų108134.5 Ų134.576%0.75571%0.707SS**  trans33.5114.3155.1610000120.9
996F37.2Very low34.3Very low142 Ų142136.6 Ų136.662%0.62371%0.712SS**  trans-13817.6173.2-108.2-76.4000115.5W998 V999 E1000F996-W998 VanDerWaalsContact C-N 3.27Å; F996-W998 PolarHBondContact O-N 3.35Å; F996-V999 HydrophobicContact CD1-CB 4Å; F996-V999 HydrophobicContact CD1-CG2 3.69Å; F996-V999 HydrophobicContact CE1-CG2 3.97Å; F996-V999 PolarHBondContact O-N 3.36Å; F996-E1000 PolarHBondContact O-N 3.47Å
997E35.1Very low34.9Very low145 Ų145134 Ų13468%0.67870%0.702SS**Hα-helixtrans-52.7-32.3-166.9-57.1-175.8133.200116.3V999 E1000 K1001E997-V999 VanDerWaalsContact C-N 3.34Å; E997-V999 PolarHBondContact O-N 3.04Å; E997-E1000 PolarHBondContact O-N 2.99Å; E997-K1001 PolarHBondContact O-N 3.48Å
998W37.5Very low35.1Very low191 Ų191132 Ų13272%0.72369%0.693SS**Hα-helixtrans-68-31.4178.670.8-60.4000113.4F996 L1002F996-W998 VanDerWaalsContact C-N 3.27Å; F996-W998 PolarHBondContact O-N 3.35Å; W998-L1002 PolarHBondContact O-N 3.04Å
999V38.3Very low35.4Very low60 Ų60130.9 Ų130.936%0.36470%0.695SS.*Hα-helixtrans-77.5-37.1175.1178.10000110.5F996 E997 K1001 L1002 L1003F996-V999 HydrophobicContact CD1-CB 4Å; F996-V999 HydrophobicContact CD1-CG2 3.69Å; F996-V999 HydrophobicContact CE1-CG2 3.97Å; F996-V999 PolarHBondContact O-N 3.36Å; E997-V999 VanDerWaalsContact C-N 3.34Å; E997-V999 PolarHBondContact O-N 3.04Å; V999-K1001 VanDerWaalsContact C-N 3.32Å; V999-K1001 PolarHBondContact O-N 3.46Å; V999-L1002 PolarHBondContact O-N 3.16Å; V999-L1003 WeakPolarHBondContact O-CB 3.22Å; V999-L1003 PolarHBondContact O-N 3.35Å
1000E39.9Very low35.8Very low137 Ų137129.3 Ų129.364%0.6469%0.691SS**Hα-helixtrans-63.4-36.6174-68.8-163.1140.600112.3F996 E997 L1002 L1003 A1004F996-E1000 PolarHBondContact O-N 3.47Å; E997-E1000 PolarHBondContact O-N 2.99Å; E1000-L1002 VanDerWaalsContact C-N 3.35Å; E1000-L1002 PolarHBondContact O-N 3.29Å; E1000-L1003 PolarHBondContact O-N 2.86Å; E1000-A1004 WeakPolarHBondContact O-CB 3.35Å; E1000-A1004 PolarHBondContact O-N 2.98Å
1001K42.5Very low35.9Very low154 Ų154130.6 Ų130.667%0.6769%0.688SS**Hα-helixtrans-62.6-38.2173.3-75.6176.5-179.8172.70112.8E997 V999 C1005E997-K1001 PolarHBondContact O-N 3.48Å; V999-K1001 VanDerWaalsContact C-N 3.32Å; V999-K1001 PolarHBondContact O-N 3.46Å; K1001-C1005 PolarHBondContact O-SG 2.98Å
1002L33.4Very low36.4Very low124 Ų124134.5 Ų134.565%0.64969%0.691SS**Hα-helixtrans-68.5-39.1172.8-89.4161.7000112.5W998 V999 E1000W998-L1002 PolarHBondContact O-N 3.04Å; V999-L1002 PolarHBondContact O-N 3.16Å; E1000-L1002 VanDerWaalsContact C-N 3.35Å; E1000-L1002 PolarHBondContact O-N 3.29Å
1003L39.3Very low36.5Very low112 Ų112137.1 Ų137.159%0.58670%0.697SS**Hα-helixtrans-72.5-37.2179.8-146.571.7000112.2V999 E1000 C1005 H1006 T1007V999-L1003 WeakPolarHBondContact O-CB 3.22Å; V999-L1003 PolarHBondContact O-N 3.35Å; E1000-L1003 PolarHBondContact O-N 2.86Å; L1003-C1005 PolarHBondContact O-N 2.95Å; L1003-H1006 PolarHBondContact O-N 3.33Å; L1003-T1007 PolarHBondContact O-N 3.21Å; L1003-T1007 VanDerWaalsContact O-N 3.14Å; L1003-T1007 PolarHBondContact O-OG1 2.78Å
1004A40.9Very low36.7Very low43 Ų43136.3 Ų136.336%0.35569%0.694SS.*Hα-helixtrans-66.5-20.2177.400000113.9E1000E1000-A1004 WeakPolarHBondContact O-CB 3.35Å; E1000-A1004 PolarHBondContact O-N 2.98Å
1005C34.3Very low36.8Very low104 Ų104141.3 Ų141.370%0.70370%0.7SS**THydrogen-bonded Turntrans-75.4-23.4169.7-73.90000112.8K1001 L1003K1001-C1005 PolarHBondContact O-SG 2.98Å; L1003-C1005 PolarHBondContact O-N 2.95Å
1006H35.8Very low36.8Very low166 Ų166139.4 Ų139.477%0.76969%0.692SS**THydrogen-bonded Turntrans-97.3-21.9179.2-95.9-70.7000114.6L1003L1003-H1006 PolarHBondContact O-N 3.33Å
1007T39.6Very low36.9Very low94 Ų94141 Ų14158%0.57770%0.701SS**SBendtrans-88.8-2.8-171.448.60000115.9L1003 L1009L1003-T1007 PolarHBondContact O-N 3.21Å; L1003-T1007 VanDerWaalsContact O-N 3.14Å; L1003-T1007 PolarHBondContact O-OG1 2.78Å; T1007-L1009 PolarHBondContact O-N 3.19Å
1008K37.5Very low36.9Very low181 Ų181142.7 Ų142.779%0.78771%0.709SS**THydrogen-bonded Turntrans-71.48.5-177-69.8-178-179.4178.30115.9
1009L38.4Very low36.8Very low163 Ų163136.9 Ų136.985%0.85370%0.697SS**THydrogen-bonded Turntrans-103.9-0.4-173-147.477.3000115.4T1007T1007-L1009 PolarHBondContact O-N 3.19Å
1010V38.5Very low36.7Very low133 Ų133140.2 Ų140.281%0.80671%0.711SS**  trans-131.281.3-176.5-169.60000112
1011N33.1Very low36.6Very low150 Ų150142.8 Ų142.880%0.80272%0.719SS**  trans-9799.8170.1-105.2-24.2000110.5
1012N38.4Very low36.4Very low160 Ų160146 Ų14686%0.85673%0.728SS**  trans-155.6117.2152.2-121.5-32.4000111.1
1013K32.5Very low36.5Very low191 Ų191147.7 Ų147.783%0.8373%0.73SS**  trans-94.298.7-171.1-74-176.8176.4-179.90112.4
1014K34.5Very low36Very low184 Ų184150.7 Ų150.780%0.874%0.743SS**SBendtrans-171.9160.9151.3-101.7153.3-174.9-179.80108.9
1015Y35.1Very low35.4Very low225 Ų225153.7 Ų153.788%0.88276%0.761SS**SBendtrans65.334.6-174.7-53.1-75.3000116.6S1019Y1015-S1019 PolarHBondContact O-OG 3.32Å
1016A31.8Very low35.3Very low69 Ų69156.1 Ų156.157%0.5776%0.762SS**  trans-107.580.3179.800000112.4
1017E38Very low34.8Very low174 Ų174153 Ų15381%0.81376%0.759SS**SBendtrans-153.9-56.2160.8-124161.5-169.100112S1019E1017-S1019 PolarHBondContact O-N 3.23Å
1018E36Very low34.5Very low181 Ų181154.3 Ų154.385%0.84677%0.767SS**THydrogen-bonded Turntrans-76.1-23.6-179.7-64.4-166.8116.700114.6
1019S35.2Very low34Very low69 Ų69151.2 Ų151.248%0.48377%0.766SS.*THydrogen-bonded Turntrans-76.5-26.4-174.358.60000114Y1015 E1017 R1022Y1015-S1019 PolarHBondContact O-OG 3.32Å; E1017-S1019 PolarHBondContact O-N 3.23Å; S1019-R1022 PolarHBondContact O-N 3Å
1020M36.3Very low34.1Very low131 Ų131148.1 Ų148.165%0.64575%0.75SS**G310 helixtrans-69.1-39.1-177.7-74.2-173.7170.700112.7R1022 K1023M1020-R1022 PolarHBondContact O-N 3.46Å; M1020-K1023 PolarHBondContact O-N 3.19Å
1021K37.8Very low35.3Very low190 Ų190145.5 Ų145.583%0.82673%0.734SS**G310 helixtrans-62.6-14.9179.4-74.9-168.5175.3-173.70114.3
1022R37.5Very low36.6Very low223 Ų223142.1 Ų142.184%0.84272%0.721SS**G310 helixtrans-99.4-5.8174.6-70.2-170.8-178.1171.24.1115S1019 M1020S1019-R1022 PolarHBondContact O-N 3Å; M1020-R1022 PolarHBondContact O-N 3.46Å
1023K36.2Very low38.2Very low159 Ų159138.3 Ų138.369%0.69170%0.695SS**THydrogen-bonded Turntrans-98.1-11.3176.1-77.5-168.8172.8-174.90114.5M1020 S1025 Q1026M1020-K1023 PolarHBondContact O-N 3.19Å; K1023-S1025 PolarHBondContact O-N 3.3Å; K1023-Q1026 WeakPolarHBondContact O-CB 3.36Å; K1023-Q1026 PolarHBondContact O-N 3.1Å
1024M28.8Very low40.1Very low174 Ų174131 Ų13186%0.85767%0.667SS**THydrogen-bonded Turntrans-64.3-20.4177.4-133.374.517800113.7Q1026M1024-Q1026 VanDerWaalsContact C-N 3.3Å; M1024-Q1026 PolarHBondContact O-N 3.09Å
1025S29Very low42Very low106 Ų106124.7 Ų124.774%0.74164%0.644SS**THydrogen-bonded Turntrans-87.513.8178.9-46.80000113.9K1023 S1027K1023-S1025 PolarHBondContact O-N 3.3Å; S1025-S1027 PolarHBondContact O-N 3.38Å
1026Q30.4Very low43.9Very low155 Ų155115.6 Ų115.672%0.72461%0.611SS**  trans-73.990-179.1-169.4166.99.100110.5K1023 M1024 V1028K1023-Q1026 WeakPolarHBondContact O-CB 3.36Å; K1023-Q1026 PolarHBondContact O-N 3.1Å; M1024-Q1026 VanDerWaalsContact C-N 3.3Å; M1024-Q1026 PolarHBondContact O-N 3.09Å; Q1026-V1028 PolarHBondContact O-N 2.81Å
1027S26.5Very low46.3Very low100 Ų100113.4 Ų113.470%0.69959%0.589SS**  trans-48129.5166.356.40000109.4S1025 C1029S1025-S1027 PolarHBondContact O-N 3.38Å; S1027-C1029 PolarHBondContact O-N 3.47Å
1028V33.6Very low48.2Very low123 Ų123107.8 Ų107.875%0.74557%0.572SS**  trans-62.6100.1178.4-179.20000108.2Q1026 L1030Q1026-V1028 PolarHBondContact O-N 2.81Å; V1028-L1030 HydrophobicContact CG1-CD2 3.92Å; V1028-L1030 HydrophobicContact CG1-CG 4.2Å; V1028-L1030 PolarHBondContact O-N 2.89Å
1029C26.5Very low50.3Low115 Ų115103.4 Ų103.478%0.77755%0.552SS**  trans-72.983.6174.8-168.80000107.5S1027 T1031S1027-C1029 PolarHBondContact O-N 3.47Å; C1029-T1031 PolarHBondContact O-N 3.19Å
1030L40.5Very low52.5Low98 Ų98100.3 Ų100.351%0.51353%0.53SS..  trans-59.2111.1171.2-68.8175.2000107.4V1028 S1034 T1035V1028-L1030 HydrophobicContact CG1-CD2 3.92Å; V1028-L1030 HydrophobicContact CG1-CG 4.2Å; V1028-L1030 PolarHBondContact O-N 2.89Å; L1030-S1034 VanDerWaalsContact C-OG 3.28Å; L1030-S1034 VanDerWaalsContact CA-OG 3.23Å; L1030-S1034 WeakPolarHBondContact CA-OG 3.32Å; L1030-S1034 WeakPolarHBondContact CB-OG 3.31Å; L1030-T1035 WeakPolarHBondContact CB-OG1 3.38Å
1031T63Low54.9Low78 Ų78101.1 Ų101.148%0.47953%0.526SS..  trans-54.9148.7170.161.40000108.9C1029 R1033 S1034 T1035C1029-T1031 PolarHBondContact O-N 3.19Å; T1031-R1033 CarbonylContact O-C 3.53Å; T1031-R1033 PolarHBondContact O-N 3.42Å; T1031-S1034 PolarHBondContact N-OG 2.79Å; T1031-S1034 WeakPolarHBondContact O-CA 3.38Å; T1031-S1034 PolarHBondContact O-N 2.92Å; T1031-S1034 PolarHBondContact O-OG 3.18Å; T1031-S1034 PolarHBondContact OG1-N 3.37Å; T1031-S1034 PolarHBondContact OG1-OG 2.94Å; T1031-T1035 PolarHBondContact O-N 3Å
1032P62Low57Low80 Ų8098.4 Ų98.452%0.51951%0.511SS..Hα-helixtrans-50.8-38.4-180-30.136.1000113S1034 T1035 L1036 L1109P1032-S1034 PolarHBondContact O-N 3.2Å; P1032-T1035 PolarHBondContact O-N 2.67Å; P1032-L1036 WeakPolarHBondContact O-CB 3.48Å; P1032-L1036 PolarHBondContact O-N 2.75Å; P1032-L1109 HydrophobicContact CG-CD1 4.42Å
1033R70.9Confident59.2Low80 Ų8089.2 Ų89.230%0.30248%0.479SS..Hα-helixtrans-54.6-48.6170-175.2-167-175.292.1-9.7113.2T1031 L1036 I1037 I1075 V1076 S1078T1031-R1033 CarbonylContact O-C 3.53Å; T1031-R1033 PolarHBondContact O-N 3.42Å; R1033-L1036 PolarHBondContact O-N 2.96Å; R1033-I1037 HydrophobicContact CG-CD1 3.95Å; R1033-I1037 WeakPolarHBondContact O-CB 3.44Å; R1033-I1037 VanDerWaalsContact O-CG1 3.24Å; R1033-I1037 WeakPolarHBondContact O-CG1 3.39Å; R1033-I1037 PolarHBondContact O-N 2.73Å; R1033-I1075 PolarHBondContact NH1-O 2.59Å; R1033-I1075 PolarHBondContact NH2-O 3.01Å; R1033-V1076 PolarHBondContact NH2-O 2.89Å; R1033-S1078 PolarHBondContact NH1-O 3.3Å; R1033-S1078 PolarHBondContact NH2-O 2.87Å
1034S71.9Confident61.6Low36 Ų3682.6 Ų82.625%0.25245%0.45SS..Hα-helixtrans-69.7-34.4-179.768.50000113.1L1030 T1031 P1032 A1038L1030-S1034 VanDerWaalsContact C-OG 3.28Å; L1030-S1034 VanDerWaalsContact CA-OG 3.23Å; L1030-S1034 WeakPolarHBondContact CA-OG 3.32Å; L1030-S1034 WeakPolarHBondContact CB-OG 3.31Å; T1031-S1034 PolarHBondContact N-OG 2.79Å; T1031-S1034 WeakPolarHBondContact O-CA 3.38Å; T1031-S1034 PolarHBondContact O-N 2.92Å; T1031-S1034 PolarHBondContact O-OG 3.18Å; T1031-S1034 PolarHBondContact OG1-N 3.37Å; T1031-S1034 PolarHBondContact OG1-OG 2.94Å; P1032-S1034 PolarHBondContact O-N 3.2Å; S1034-A1038 WeakPolarHBondContact O-CB 3.45Å; S1034-A1038 PolarHBondContact O-N 2.98Å
1035T74.4Confident64.4Low52 Ų5279 Ų7932%0.31943%0.434SS..Hα-helixtrans-64.5-46.1171.5-56.70000111L1030 T1031 P1032 A1038 Q1039L1030-T1035 WeakPolarHBondContact CB-OG1 3.38Å; T1031-T1035 PolarHBondContact O-N 3Å; P1032-T1035 PolarHBondContact O-N 2.67Å; T1035-A1038 PolarHBondContact O-N 3.49Å; T1035-Q1039 WeakPolarHBondContact O-CG 3.46Å; T1035-Q1039 PolarHBondContact O-N 3.07Å
1036L76.7Confident67.1Low35 Ų3578.6 Ų78.618%0.18342%0.419CS..Hα-helixtrans-60.3-46.6175.3-177.166.4000111.6P1032 R1033 A1038 Q1039 M1040 I1075P1032-L1036 WeakPolarHBondContact O-CB 3.48Å; P1032-L1036 PolarHBondContact O-N 2.75Å; R1033-L1036 PolarHBondContact O-N 2.96Å; L1036-A1038 VanDerWaalsContact C-N 3.31Å; L1036-A1038 PolarHBondContact O-N 2.94Å; L1036-Q1039 PolarHBondContact O-N 3.11Å; L1036-M1040 HydrophobicContact CD1-CE 3.89Å; L1036-M1040 WeakPolarHBondContact O-CB 3.31Å; L1036-M1040 WeakPolarHBondContact O-CG 3.42Å; L1036-M1040 PolarHBondContact O-N 3.13Å; L1036-I1075 HydrophobicContact CD2-CD1 3.77Å; L1036-I1075 HydrophobicContact CD2-CG1 4.39Å; L1036-I1075 HydrophobicContact CD2-CG2 4.34Å; L1036-I1075 HydrophobicContact CG-CD1 4.14Å
1037I80.6Confident69.6Low23 Ų2372 Ų7212%0.11839%0.388CS..Hα-helixtrans-59.2-40.9175.1-72.7167.6000111.3R1033 R1041 L1072 I1075 V1076R1033-I1037 HydrophobicContact CG-CD1 3.95Å; R1033-I1037 WeakPolarHBondContact O-CB 3.44Å; R1033-I1037 VanDerWaalsContact O-CG1 3.24Å; R1033-I1037 WeakPolarHBondContact O-CG1 3.39Å; R1033-I1037 PolarHBondContact O-N 2.73Å; I1037-R1041 WeakPolarHBondContact O-CB 3.25Å; I1037-R1041 WeakPolarHBondContact O-CG 3.47Å; I1037-R1041 PolarHBondContact O-N 3.46Å; I1037-L1072 HydrophobicContact CG2-CD1 4.32Å; I1037-I1075 HydrophobicContact CD1-CG2 4.05Å; I1037-I1075 HydrophobicContact CG1-CG2 3.56Å; I1037-V1076 HydrophobicContact CD1-CG2 4.2Å
1038A78.8Confident72.4Confident55 Ų5571.4 Ų71.446%0.45537%0.373SS..Hα-helixtrans-66.4-42.117700000112.2S1034 T1035 L1036 Y1042S1034-A1038 WeakPolarHBondContact O-CB 3.45Å; S1034-A1038 PolarHBondContact O-N 2.98Å; T1035-A1038 PolarHBondContact O-N 3.49Å; L1036-A1038 VanDerWaalsContact C-N 3.31Å; L1036-A1038 PolarHBondContact O-N 2.94Å; A1038-Y1042 PolarHBondContact O-N 3.41Å
1039Q80.7Confident74.6Confident90 Ų9070 Ų7042%0.42136%0.361SS..Hα-helixtrans-62.1-51.8174.4-72.4168.8-19.500111.2T1035 L1036 R1041 Y1042 I1043T1035-Q1039 WeakPolarHBondContact O-CG 3.46Å; T1035-Q1039 PolarHBondContact O-N 3.07Å; L1036-Q1039 PolarHBondContact O-N 3.11Å; Q1039-R1041 VanDerWaalsContact C-N 3.34Å; Q1039-R1041 PolarHBondContact O-N 3.32Å; Q1039-Y1042 WeakPolarHBondContact O-CB 3.49Å; Q1039-Y1042 PolarHBondContact O-N 2.92Å; Q1039-Y1042 VanDerWaalsContact O-N 3.1Å; Q1039-I1043 WeakPolarHBondContact O-CD1 3.38Å; Q1039-I1043 WeakPolarHBondContact O-CG1 3.34Å; Q1039-I1043 PolarHBondContact O-N 2.9Å
1040M80.5Confident77.2Confident3 Ų368.5 Ų68.52%0.01534%0.341CS..Hα-helixtrans-56.2-46.2177.4-69.1-54.1112.200111.6L1036 Y1042 I1043 L1044 L1068 F1071 L1072 I1075 L1102L1036-M1040 HydrophobicContact CD1-CE 3.89Å; L1036-M1040 WeakPolarHBondContact O-CB 3.31Å; L1036-M1040 WeakPolarHBondContact O-CG 3.42Å; L1036-M1040 PolarHBondContact O-N 3.13Å; M1040-Y1042 VanDerWaalsContact C-N 3.34Å; M1040-Y1042 PolarHBondContact O-N 3.15Å; M1040-I1043 HydrophobicContact CE-CD1 4.07Å; M1040-I1043 PolarHBondContact O-N 3.09Å; M1040-L1044 WeakPolarHBondContact O-CB 3.44Å; M1040-L1044 PolarHBondContact O-N 2.95Å; M1040-L1068 HydrophobicContact SD-CD2 4.45Å; M1040-F1071 HydrophobicContact CG-CD1 4.47Å; M1040-F1071 HydrophobicContact SD-CD1 3.9Å; M1040-F1071 HydrophobicContact SD-CE1 4.01Å; M1040-L1072 HydrophobicContact CB-CD1 3.72Å; M1040-I1075 HydrophobicContact CG-CD1 4.26Å; M1040-L1102 HydrophobicContact CE-CB 4.4Å; M1040-L1102 HydrophobicContact CE-CD2 3.71Å; M1040-L1102 HydrophobicContact CE-CG 3.96Å; M1040-L1102 HydrophobicContact SD-CD2 3.94Å
1041R86.3Confident79.2Confident149 Ų14965.6 Ų65.656%0.56233%0.326SS*.Hα-helixtrans-59.2-41.1175.7-75.8172.1177.1-173.2-1112.8I1037 Q1039 L1045 L1072I1037-R1041 WeakPolarHBondContact O-CB 3.25Å; I1037-R1041 WeakPolarHBondContact O-CG 3.47Å; I1037-R1041 PolarHBondContact O-N 3.46Å; Q1039-R1041 VanDerWaalsContact C-N 3.34Å; Q1039-R1041 PolarHBondContact O-N 3.32Å; R1041-L1045 WeakPolarHBondContact O-CB 3.41Å; R1041-L1045 PolarHBondContact O-N 2.93Å; R1041-L1072 HydrophobicContact CG-CD1 4.01Å; R1041-L1072 HydrophobicContact CG-CD2 4.04Å
1042Y83.4Confident79.6Confident132 Ų13268.5 Ų68.552%0.51834%0.338SS..Hα-helixtrans-66.1-41.5176.3172.4-110000112.5A1038 Q1039 M1040 L1045 K1046A1038-Y1042 PolarHBondContact O-N 3.41Å; Q1039-Y1042 WeakPolarHBondContact O-CB 3.49Å; Q1039-Y1042 PolarHBondContact O-N 2.92Å; Q1039-Y1042 VanDerWaalsContact O-N 3.1Å; M1040-Y1042 VanDerWaalsContact C-N 3.34Å; M1040-Y1042 PolarHBondContact O-N 3.15Å; Y1042-L1045 PolarHBondContact O-N 3.43Å; Y1042-K1046 WeakPolarHBondContact O-CB 3.45Å; Y1042-K1046 PolarHBondContact O-N 3.47Å
1043I82.7Confident79.7Confident31 Ų3170.7 Ų70.716%0.15934%0.341CS..Hα-helixtrans-68.8-42.6179-66.5153.7000111Q1039 M1040 L1045 K1046 Q1047 L1068 L1102Q1039-I1043 WeakPolarHBondContact O-CD1 3.38Å; Q1039-I1043 WeakPolarHBondContact O-CG1 3.34Å; Q1039-I1043 PolarHBondContact O-N 2.9Å; M1040-I1043 HydrophobicContact CE-CD1 4.07Å; M1040-I1043 PolarHBondContact O-N 3.09Å; I1043-L1045 PolarHBondContact O-N 3.43Å; I1043-K1046 WeakPolarHBondContact O-CB 3.32Å; I1043-K1046 PolarHBondContact O-N 2.86Å; I1043-Q1047 WeakPolarHBondContact O-CG 3.4Å; I1043-Q1047 PolarHBondContact O-N 3.23Å; I1043-L1068 HydrophobicContact CG2-CD1 3.94Å; I1043-L1068 HydrophobicContact CG2-CD2 4.41Å; I1043-L1102 HydrophobicContact CD1-CD1 3.7Å; I1043-L1102 HydrophobicContact CD1-CD2 3.95Å; I1043-L1102 HydrophobicContact CD1-CG 3.56Å; I1043-L1102 HydrophobicContact CG1-CD1 4.4Å; I1043-L1102 HydrophobicContact CG2-CD1 4.28Å; I1043-L1102 HydrophobicContact CG2-CD2 4.36Å
1044L87.5Confident79.3Confident19 Ų1969.3 Ų69.310%0.09934%0.342CS..Hα-helixtrans-59.9-44.5174.5-167.7168.3000110.8M1040 Q1047 K1048 L1068 E1069 L1072M1040-L1044 WeakPolarHBondContact O-CB 3.44Å; M1040-L1044 PolarHBondContact O-N 2.95Å; L1044-Q1047 PolarHBondContact O-N 3.26Å; L1044-K1048 HydrophobicContact CD2-CD 3.78Å; L1044-K1048 HydrophobicContact CD2-CG 4.24Å; L1044-K1048 PolarHBondContact O-N 3.36Å; L1044-L1068 HydrophobicContact CB-CB 4.48Å; L1044-L1068 HydrophobicContact CD1-CB 4.46Å; L1044-L1068 HydrophobicContact CG-CB 4.34Å; L1044-E1069 HydrophobicContact CD1-CG 3.74Å; L1044-E1069 HydrophobicContact CD2-CG 4.37Å; L1044-E1069 HydrophobicContact CG-CG 4.21Å; L1044-L1072 HydrophobicContact CD1-CD2 4.09Å
1045L86.7Confident78.8Confident98 Ų9878.5 Ų78.551%0.51337%0.371SS..Hα-helixtrans-61.7-44.7172.5-179.363.2000112.2R1041 Y1042 I1043 Q1047 K1048 L1049R1041-L1045 WeakPolarHBondContact O-CB 3.41Å; R1041-L1045 PolarHBondContact O-N 2.93Å; Y1042-L1045 PolarHBondContact O-N 3.43Å; I1043-L1045 PolarHBondContact O-N 3.43Å; L1045-Q1047 VanDerWaalsContact C-N 3.32Å; L1045-Q1047 PolarHBondContact O-N 3.46Å; L1045-K1048 PolarHBondContact O-N 2.85Å; L1045-L1049 HydrophobicContact CD1-CD1 4.31Å; L1045-L1049 HydrophobicContact CD1-CG 4.4Å; L1045-L1049 HydrophobicContact CG-CD1 4.13Å; L1045-L1049 WeakPolarHBondContact O-CB 3.32Å; L1045-L1049 WeakPolarHBondContact O-CG 3.44Å; L1045-L1049 PolarHBondContact O-N 2.85Å
1046K86.3Confident77.9Confident99 Ų9983.5 Ų83.543%0.4340%0.396SS..Hα-helixtrans-59.7-39176.4-177.6-174.6178.4-168.60111.8Y1042 I1043 K1050Y1042-K1046 WeakPolarHBondContact O-CB 3.45Å; Y1042-K1046 PolarHBondContact O-N 3.47Å; I1043-K1046 WeakPolarHBondContact O-CB 3.32Å; I1043-K1046 PolarHBondContact O-N 2.86Å; K1046-K1050 WeakPolarHBondContact O-CG 3.2Å; K1046-K1050 PolarHBondContact O-N 3.46Å; K1046-K1050 VanDerWaalsContact O-N 3.13Å
1047Q82.5Confident77.7Confident17 Ų1783.1 Ų83.18%0.07940%0.397CS..Hα-helixtrans-76.2-38.7176.6-64.2-70.124.500112.6I1043 L1044 L1045 L1049 K1050 L1051 I1064 V1065 L1068I1043-Q1047 WeakPolarHBondContact O-CG 3.4Å; I1043-Q1047 PolarHBondContact O-N 3.23Å; L1044-Q1047 PolarHBondContact O-N 3.26Å; L1045-Q1047 VanDerWaalsContact C-N 3.32Å; L1045-Q1047 PolarHBondContact O-N 3.46Å; Q1047-L1049 PolarHBondContact O-N 3.48Å; Q1047-K1050 CarbonylContact O-C 3.47Å; Q1047-K1050 WeakPolarHBondContact O-CA 3.34Å; Q1047-K1050 WeakPolarHBondContact O-CB 3.43Å; Q1047-K1050 PolarHBondContact O-N 3.27Å; Q1047-K1050 VanDerWaalsContact O-N 3.11Å; Q1047-K1050 VanDerWaalsContact OE1-CD 3.23Å; Q1047-L1051 PolarHBondContact O-N 3.43Å; Q1047-I1064 HydrophobicContact CG-CG2 4.21Å; Q1047-V1065 HydrophobicContact CB-CG2 3.68Å; Q1047-L1068 HydrophobicContact CG-CD1 4.07Å
1048K86.3Confident77.6Confident87 Ų8786.9 Ų86.938%0.37841%0.411SS..Hα-helixtrans-61.1-41.2171.7-76.4-173.1175.6-177.50112.3L1044 L1045 K1050 L1051 L1052 V1065 E1069L1044-K1048 HydrophobicContact CD2-CD 3.78Å; L1044-K1048 HydrophobicContact CD2-CG 4.24Å; L1044-K1048 PolarHBondContact O-N 3.36Å; L1045-K1048 PolarHBondContact O-N 2.85Å; K1048-K1050 VanDerWaalsContact C-N 3.31Å; K1048-K1050 PolarHBondContact O-N 3.36Å; K1048-L1051 WeakPolarHBondContact O-CB 3.36Å; K1048-L1051 PolarHBondContact O-N 3.33Å; K1048-L1051 VanDerWaalsContact O-N 3.16Å; K1048-L1052 PolarHBondContact O-N 3.11Å; K1048-V1065 HydrophobicContact CD-CG1 4.39Å; K1048-V1065 HydrophobicContact CG-CG1 3.89Å; K1048-V1065 HydrophobicContact CG-CG2 4.1Å; K1048-E1069 WeakPolarHBondContact CE-OE1 3.48Å; K1048-E1069 IonicContact NZ-OE1 3.77Å; K1048-E1069 PolarHBondContact NZ-OE1 3.15Å
1049L78.9Confident77.5Confident94 Ų9493.6 Ų93.649%0.49243%0.426SS..Hα-helixtrans-65.8-30.4172.9-71.8169.9000113.2L1045 Q1047 H1053L1045-L1049 HydrophobicContact CD1-CD1 4.31Å; L1045-L1049 HydrophobicContact CD1-CG 4.4Å; L1045-L1049 HydrophobicContact CG-CD1 4.13Å; L1045-L1049 WeakPolarHBondContact O-CB 3.32Å; L1045-L1049 WeakPolarHBondContact O-CG 3.44Å; L1045-L1049 PolarHBondContact O-N 2.85Å; Q1047-L1049 PolarHBondContact O-N 3.48Å; L1049-H1053 PolarHBondContact O-ND1 3.34Å
1050K81.2Confident77.2Confident83 Ų8393.1 Ų93.136%0.36143%0.426SS..Hα-helixtrans-73.8-29.9170.7-82.6177.1165.6-170.20112.9K1046 Q1047 K1048 L1052 H1053 R1061K1046-K1050 WeakPolarHBondContact O-CG 3.2Å; K1046-K1050 PolarHBondContact O-N 3.46Å; K1046-K1050 VanDerWaalsContact O-N 3.13Å; Q1047-K1050 CarbonylContact O-C 3.47Å; Q1047-K1050 WeakPolarHBondContact O-CA 3.34Å; Q1047-K1050 WeakPolarHBondContact O-CB 3.43Å; Q1047-K1050 PolarHBondContact O-N 3.27Å; Q1047-K1050 VanDerWaalsContact O-N 3.11Å; Q1047-K1050 VanDerWaalsContact OE1-CD 3.23Å; K1048-K1050 VanDerWaalsContact C-N 3.31Å; K1048-K1050 PolarHBondContact O-N 3.36Å; K1050-L1052 VanDerWaalsContact C-N 3.34Å; K1050-H1053 PolarHBondContact O-N 3.41Å; K1050-R1061 PolarHBondContact O-NH1 3.44Å
1051L81.7Confident77.3Confident37 Ų3795.5 Ų95.519%0.19444%0.435CS..Hα-helixtrans-64.9-38.6179-167.372.2000111.4Q1047 K1048 H1053 Y1058 R1061 K1062Q1047-L1051 PolarHBondContact O-N 3.43Å; K1048-L1051 WeakPolarHBondContact O-CB 3.36Å; K1048-L1051 PolarHBondContact O-N 3.33Å; K1048-L1051 VanDerWaalsContact O-N 3.16Å; L1051-H1053 PolarHBondContact O-N 2.99Å; L1051-Y1058 HydrophobicContact CD1-CD2 3.54Å; L1051-Y1058 HydrophobicContact CD1-CE2 3.81Å; L1051-Y1058 HydrophobicContact CD1-CG 4.33Å; L1051-Y1058 WeakPolarHBondContact CD1-O 3.07Å; L1051-Y1058 HydrophobicContact CD2-CE2 4.15Å; L1051-Y1058 HydrophobicContact CG-CD2 3.88Å; L1051-Y1058 HydrophobicContact CG-CE2 3.8Å; L1051-R1061 HydrophobicContact CD1-CB 3.65Å; L1051-K1062 HydrophobicContact CD1-CB 4.25Å
1052L71.5Confident77.3Confident139 Ų13993 Ų9373%0.72843%0.428SS*.THydrogen-bonded Turntrans-68.5-6.9179.5-66.1171.6000115.3K1048 K1050K1048-L1052 PolarHBondContact O-N 3.11Å; K1050-L1052 VanDerWaalsContact C-N 3.34Å
1053H63.8Low77.1Confident126 Ų12692.5 Ų92.558%0.58343%0.425SS*.THydrogen-bonded Turntrans-122.7-9-163.6-82.8155.8000116.8L1049 K1050 L1051L1049-H1053 PolarHBondContact O-ND1 3.34Å; K1050-H1053 PolarHBondContact O-N 3.41Å; L1051-H1053 PolarHBondContact O-N 2.99Å
1054T62.6Low77.1Confident51 Ų5191.4 Ų91.431%0.31342%0.419SS..  trans-145.4127.2178.260.40000111.4R1061T1054-R1061 VanDerWaalsContact OG1-CZ 3.28Å; T1054-R1061 PolarHBondContact OG1-NH1 3.11Å
1055R62.9Low77.2Confident228 Ų22890.8 Ų90.886%0.8642%0.416SS*.SBendtrans-69.2-38.9179.2-160.3171.8-172.9161.20.6111.8A1057 Y1058R1055-A1057 VanDerWaalsContact C-N 3.34Å; R1055-A1057 PolarHBondContact O-N 2.73Å; R1055-Y1058 VanDerWaalsContact O-CB 3.27Å; R1055-Y1058 WeakPolarHBondContact O-CB 3.28Å; R1055-Y1058 PolarHBondContact O-N 3.41Å
1056D54.7Low77.2Confident158 Ų15890 Ų9085%0.84541%0.412SS*.THydrogen-bonded Turntrans-75.3-21.8-164.8-32.8-57000113.5
1057A72.8Confident76.8Confident27 Ų2788.1 Ų88.122%0.22341%0.405CS..THydrogen-bonded Turntrans-109.514.8177.900000113.3R1055 R1061R1055-A1057 VanDerWaalsContact C-N 3.34Å; R1055-A1057 PolarHBondContact O-N 2.73Å; A1057-R1061 HydrophobicContact CB-CG 4.47Å; A1057-R1061 WeakPolarHBondContact O-CB 3.37Å; A1057-R1061 WeakPolarHBondContact O-CG 3.46Å; A1057-R1061 PolarHBondContact O-N 3.33Å; A1057-R1061 VanDerWaalsContact O-N 3.08Å
1058Y78.5Confident77Confident101 Ų10187.6 Ų87.640%0.39640%0.403SS..Hα-helixtrans-62.2-49.4-171.1179.7-105.9000113L1051 R1055 R1061 K1062L1051-Y1058 HydrophobicContact CD1-CD2 3.54Å; L1051-Y1058 HydrophobicContact CD1-CE2 3.81Å; L1051-Y1058 HydrophobicContact CD1-CG 4.33Å; L1051-Y1058 WeakPolarHBondContact CD1-O 3.07Å; L1051-Y1058 HydrophobicContact CD2-CE2 4.15Å; L1051-Y1058 HydrophobicContact CG-CD2 3.88Å; L1051-Y1058 HydrophobicContact CG-CE2 3.8Å; R1055-Y1058 VanDerWaalsContact O-CB 3.27Å; R1055-Y1058 WeakPolarHBondContact O-CB 3.28Å; R1055-Y1058 PolarHBondContact O-N 3.41Å; Y1058-R1061 PolarHBondContact O-N 3.2Å; Y1058-K1062 HydrophobicContact CE1-CD 4.49Å; Y1058-K1062 WeakPolarHBondContact O-CB 3.45Å; Y1058-K1062 PolarHBondContact O-N 3.01Å
1059Y75.3Confident77.1Confident197 Ų19786.2 Ų86.277%0.77340%0.398SS*.Hα-helixtrans-63.9-46.7-177.9-69.5-85.2000112.8R1061 K1062 R1063Y1059-R1061 PolarHBondContact O-N 2.96Å; Y1059-K1062 PolarHBondContact O-N 3.34Å; Y1059-R1063 PolarHBondContact O-N 3.22Å
1060L74.8Confident77.5Confident80 Ų8088.4 Ų88.442%0.41940%0.403SS..Hα-helixtrans-60.7-46.1176.9-177.762.3000111.4K1062 R1063 I1064 T1095L1060-K1062 VanDerWaalsContact C-N 3.32Å; L1060-K1062 PolarHBondContact O-N 3.17Å; L1060-R1063 PolarHBondContact O-N 3.44Å; L1060-I1064 HydrophobicContact CD1-CD1 4.33Å; L1060-I1064 HydrophobicContact CG-CD1 4.05Å; L1060-I1064 WeakPolarHBondContact O-CG1 3.41Å; L1060-I1064 PolarHBondContact O-N 3.46Å; L1060-T1095 HydrophobicContact CD1-CG2 4Å
1061R82.8Confident77.5Confident53 Ų5386 Ų8620%0.239%0.393CS..Hα-helixtrans-66.7-32.4177.5-69.4178.8-169.8164.518.4112.6K1050 L1051 T1054 A1057 Y1058 Y1059 V1065K1050-R1061 PolarHBondContact O-NH1 3.44Å; L1051-R1061 HydrophobicContact CD1-CB 3.65Å; T1054-R1061 VanDerWaalsContact OG1-CZ 3.28Å; T1054-R1061 PolarHBondContact OG1-NH1 3.11Å; A1057-R1061 HydrophobicContact CB-CG 4.47Å; A1057-R1061 WeakPolarHBondContact O-CB 3.37Å; A1057-R1061 WeakPolarHBondContact O-CG 3.46Å; A1057-R1061 PolarHBondContact O-N 3.33Å; A1057-R1061 VanDerWaalsContact O-N 3.08Å; Y1058-R1061 PolarHBondContact O-N 3.2Å; Y1059-R1061 PolarHBondContact O-N 2.96Å; R1061-V1065 WeakPolarHBondContact O-CB 3.29Å; R1061-V1065 VanDerWaalsContact O-CG2 3.28Å; R1061-V1065 WeakPolarHBondContact O-CG2 3.34Å; R1061-V1065 PolarHBondContact O-N 2.86Å
1062K85.6Confident77.8Confident97 Ų9785.5 Ų85.542%0.42239%0.39SS..Hα-helixtrans-66.4-45.1172.4-166.9179.5-179.3-173.90111.1L1051 Y1058 Y1059 L1060 I1064 V1065 N1066L1051-K1062 HydrophobicContact CD1-CB 4.25Å; Y1058-K1062 HydrophobicContact CE1-CD 4.49Å; Y1058-K1062 WeakPolarHBondContact O-CB 3.45Å; Y1058-K1062 PolarHBondContact O-N 3.01Å; Y1059-K1062 PolarHBondContact O-N 3.34Å; L1060-K1062 VanDerWaalsContact C-N 3.32Å; L1060-K1062 PolarHBondContact O-N 3.17Å; K1062-I1064 PolarHBondContact O-N 3.12Å; K1062-V1065 PolarHBondContact O-N 3.13Å; K1062-N1066 WeakPolarHBondContact O-CB 3.31Å; K1062-N1066 PolarHBondContact O-N 3.24Å; K1062-N1066 PolarHBondContact O-OD1 2.87Å
1063R80.8Confident78.4Confident120 Ų12084.7 Ų84.745%0.45338%0.383SS..Hα-helixtrans-57.2-46.1173.9-175.2179.5-98.9-156.2-8.1111.2Y1059 L1060 H1067 D1090Y1059-R1063 PolarHBondContact O-N 3.22Å; L1060-R1063 PolarHBondContact O-N 3.44Å; R1063-H1067 PolarHBondContact O-N 3.24Å; R1063-H1067 VanDerWaalsContact O-N 3.1Å; R1063-D1090 IonicContact CZ-OD2 2.66Å; R1063-D1090 VanDerWaalsContact CZ-OD2 3.25Å; R1063-D1090 PolarHBondContact NH1-O 2.95Å; R1063-D1090 IonicContact NH1-OD2 2.59Å; R1063-D1090 PolarHBondContact NH1-OD2 3.04Å; R1063-D1090 IonicContact NH2-OD2 3.98Å; R1063-D1090 PolarHBondContact NH2-OD2 2.96Å
1064I82.3Confident79.2Confident8 Ų884.1 Ų84.14%0.04138%0.381CS..Hα-helixtrans-64.1-45.5176.8-66.8165.7000112.2Q1047 L1060 K1062 H1067 L1068 T1095 L1098Q1047-I1064 HydrophobicContact CG-CG2 4.21Å; L1060-I1064 HydrophobicContact CD1-CD1 4.33Å; L1060-I1064 HydrophobicContact CG-CD1 4.05Å; L1060-I1064 WeakPolarHBondContact O-CG1 3.41Å; L1060-I1064 PolarHBondContact O-N 3.46Å; K1062-I1064 PolarHBondContact O-N 3.12Å; I1064-H1067 PolarHBondContact O-N 2.93Å; I1064-L1068 HydrophobicContact CG2-CD1 3.87Å; I1064-L1068 HydrophobicContact CG2-CG 4.39Å; I1064-L1068 WeakPolarHBondContact O-CG 3.24Å; I1064-L1068 PolarHBondContact O-N 3.4Å; I1064-T1095 HydrophobicContact CD1-CG2 4.11Å; I1064-T1095 HydrophobicContact CG1-CG2 4.02Å; I1064-L1098 HydrophobicContact CD1-CD1 4.12Å
1065V89.1Confident80Confident6 Ų681.9 Ų81.94%0.03637%0.366CS..Hα-helixtrans-61.5-48178.51670000111Q1047 K1048 R1061 K1062 H1067 L1068 E1069Q1047-V1065 HydrophobicContact CB-CG2 3.68Å; K1048-V1065 HydrophobicContact CD-CG1 4.39Å; K1048-V1065 HydrophobicContact CG-CG1 3.89Å; K1048-V1065 HydrophobicContact CG-CG2 4.1Å; R1061-V1065 WeakPolarHBondContact O-CB 3.29Å; R1061-V1065 VanDerWaalsContact O-CG2 3.28Å; R1061-V1065 WeakPolarHBondContact O-CG2 3.34Å; R1061-V1065 PolarHBondContact O-N 2.86Å; K1062-V1065 PolarHBondContact O-N 3.13Å; V1065-H1067 VanDerWaalsContact C-N 3.25Å; V1065-H1067 PolarHBondContact O-N 3.36Å; V1065-L1068 PolarHBondContact O-N 3.45Å; V1065-E1069 WeakPolarHBondContact O-CG 3.27Å; V1065-E1069 PolarHBondContact O-N 3.02Å
1066N86.8Confident80.8Confident81 Ų8174.4 Ų74.443%0.43335%0.346SS..Hα-helixtrans-59.3-35.6177.3-73.134.4000112.3K1062 K1070K1062-N1066 WeakPolarHBondContact O-CB 3.31Å; K1062-N1066 PolarHBondContact O-N 3.24Å; K1062-N1066 PolarHBondContact O-OD1 2.87Å; N1066-K1070 PolarHBondContact O-N 3.11Å; N1066-K1070 VanDerWaalsContact O-N 3.16Å
1067H78.9Confident81.9Confident61 Ų6171.5 Ų71.528%0.28234%0.338SS..Hα-helixtrans-73.3-39.3177.8-158.9-66.8000112.4R1063 I1064 V1065 E1069 K1070 F1071 W1091R1063-H1067 PolarHBondContact O-N 3.24Å; R1063-H1067 VanDerWaalsContact O-N 3.1Å; I1064-H1067 PolarHBondContact O-N 2.93Å; V1065-H1067 VanDerWaalsContact C-N 3.25Å; V1065-H1067 PolarHBondContact O-N 3.36Å; H1067-E1069 VanDerWaalsContact C-N 3.3Å; H1067-E1069 PolarHBondContact O-N 3.46Å; H1067-K1070 PolarHBondContact O-N 2.77Å; H1067-F1071 WeakPolarHBondContact O-CB 3.3Å; H1067-F1071 PolarHBondContact O-N 2.8Å; H1067-W1091 HydrophobicContact CB-CH2 4.41Å; H1067-W1091 HydrophobicContact CB-CZ2 4.11Å; H1067-W1091 AromaticContact CD2-CZ2 3.57Å; H1067-W1091 AromaticContact CG-CZ2 3.83Å
1068L86.4Confident81.6Confident6 Ų672.5 Ų72.53%0.03134%0.344CS..Hα-helixtrans-65.9-32.3173.8-71.3169.1000112.2M1040 I1043 L1044 Q1047 I1064 V1065 L1072 L1099 L1102M1040-L1068 HydrophobicContact SD-CD2 4.45Å; I1043-L1068 HydrophobicContact CG2-CD1 3.94Å; I1043-L1068 HydrophobicContact CG2-CD2 4.41Å; L1044-L1068 HydrophobicContact CB-CB 4.48Å; L1044-L1068 HydrophobicContact CD1-CB 4.46Å; L1044-L1068 HydrophobicContact CG-CB 4.34Å; Q1047-L1068 HydrophobicContact CG-CD1 4.07Å; I1064-L1068 HydrophobicContact CG2-CD1 3.87Å; I1064-L1068 HydrophobicContact CG2-CG 4.39Å; I1064-L1068 WeakPolarHBondContact O-CG 3.24Å; I1064-L1068 PolarHBondContact O-N 3.4Å; V1065-L1068 PolarHBondContact O-N 3.45Å; L1068-L1072 VanDerWaalsContact O-CB 3.31Å; L1068-L1072 WeakPolarHBondContact O-CB 3.41Å; L1068-L1072 PolarHBondContact O-N 2.93Å; L1068-L1099 HydrophobicContact CD2-CD2 4.24Å; L1068-L1102 HydrophobicContact CD2-CD2 4.08Å
1069E88.4Confident80.5Confident58 Ų5875.3 Ų75.327%0.27137%0.365SS..Hα-helixtrans-65.8-52.8173.2-76.5172.3150.100111.2L1044 K1048 V1065 H1067 F1071 L1072 E1073L1044-E1069 HydrophobicContact CD1-CG 3.74Å; L1044-E1069 HydrophobicContact CD2-CG 4.37Å; L1044-E1069 HydrophobicContact CG-CG 4.21Å; K1048-E1069 WeakPolarHBondContact CE-OE1 3.48Å; K1048-E1069 IonicContact NZ-OE1 3.77Å; K1048-E1069 PolarHBondContact NZ-OE1 3.15Å; V1065-E1069 WeakPolarHBondContact O-CG 3.27Å; V1065-E1069 PolarHBondContact O-N 3.02Å; H1067-E1069 VanDerWaalsContact C-N 3.3Å; H1067-E1069 PolarHBondContact O-N 3.46Å; E1069-F1071 VanDerWaalsContact C-N 3.31Å; E1069-F1071 PolarHBondContact O-N 3.48Å; E1069-L1072 WeakPolarHBondContact O-CB 3.47Å; E1069-L1072 PolarHBondContact O-N 3.21Å; E1069-L1072 VanDerWaalsContact O-N 3.13Å; E1069-E1073 WeakPolarHBondContact O-CG 3.28Å; E1069-E1073 PolarHBondContact O-N 2.86Å
1070K85.9Confident79.4Confident140 Ų14068.5 Ų68.561%0.60935%0.35SS*.Hα-helixtrans-56.9-41.5174.8-73.6-173.5174-168.40113N1066 H1067 E1073 Q1074N1066-K1070 PolarHBondContact O-N 3.11Å; N1066-K1070 VanDerWaalsContact O-N 3.16Å; H1067-K1070 PolarHBondContact O-N 2.77Å; K1070-E1073 PolarHBondContact O-N 3.35Å; K1070-Q1074 WeakPolarHBondContact O-CG 3.31Å; K1070-Q1074 PolarHBondContact O-N 3.18Å
1071F81.8Confident78.2Confident31 Ų3169.4 Ų69.414%0.13636%0.36CS..Hα-helixtrans-68.7-36178.7-169.5-120.2000112.2M1040 H1067 E1069 Q1074 I1075 P1082 F1103M1040-F1071 HydrophobicContact CG-CD1 4.47Å; M1040-F1071 HydrophobicContact SD-CD1 3.9Å; M1040-F1071 HydrophobicContact SD-CE1 4.01Å; H1067-F1071 WeakPolarHBondContact O-CB 3.3Å; H1067-F1071 PolarHBondContact O-N 2.8Å; E1069-F1071 VanDerWaalsContact C-N 3.31Å; E1069-F1071 PolarHBondContact O-N 3.48Å; F1071-Q1074 PolarHBondContact O-N 3.3Å; F1071-I1075 HydrophobicContact CD1-CD1 3.66Å; F1071-I1075 HydrophobicContact CD2-CD1 4.48Å; F1071-I1075 HydrophobicContact CE1-CD1 3.4Å; F1071-I1075 VanDerWaalsContact CE1-CD1 3.4Å; F1071-I1075 HydrophobicContact CE1-CG1 4.5Å; F1071-I1075 HydrophobicContact CE2-CD1 4.27Å; F1071-I1075 HydrophobicContact CG-CD1 4.21Å; F1071-I1075 HydrophobicContact CZ-CD1 3.73Å; F1071-I1075 HydrophobicContact CZ-CG1 4.45Å; F1071-I1075 WeakPolarHBondContact O-CG1 3.26Å; F1071-I1075 PolarHBondContact O-N 3.49Å; F1071-P1082 HydrophobicContact CE2-CB 4.06Å; F1071-P1082 HydrophobicContact CE2-CG 3.79Å; F1071-P1082 HydrophobicContact CZ-CG 3.92Å; F1071-F1103 AromaticContact CE1-CE1 3.92Å; F1071-F1103 HydrophobicContact CE1-CE1 3.92Å; F1071-F1103 AromaticContact CE1-CZ 3.63Å; F1071-F1103 HydrophobicContact CE1-CZ 3.63Å; F1071-F1103 AromaticContact CZ-CE1 3.84Å; F1071-F1103 HydrophobicContact CZ-CE1 3.84Å; F1071-F1103 AromaticContact CZ-CZ 3.66Å; F1071-F1103 HydrophobicContact CZ-CZ 3.66Å
1072L87.2Confident76.4Confident27 Ų2769.7 Ų69.714%0.14137%0.37CS..Hα-helixtrans-64.4-43.1172-17176.8000111.5I1037 M1040 R1041 L1044 L1068 E1069 I1075 V1076I1037-L1072 HydrophobicContact CG2-CD1 4.32Å; M1040-L1072 HydrophobicContact CB-CD1 3.72Å; R1041-L1072 HydrophobicContact CG-CD1 4.01Å; R1041-L1072 HydrophobicContact CG-CD2 4.04Å; L1044-L1072 HydrophobicContact CD1-CD2 4.09Å; L1068-L1072 VanDerWaalsContact O-CB 3.31Å; L1068-L1072 WeakPolarHBondContact O-CB 3.41Å; L1068-L1072 PolarHBondContact O-N 2.93Å; E1069-L1072 WeakPolarHBondContact O-CB 3.47Å; E1069-L1072 PolarHBondContact O-N 3.21Å; E1069-L1072 VanDerWaalsContact O-N 3.13Å; L1072-I1075 PolarHBondContact O-N 3.23Å; L1072-V1076 WeakPolarHBondContact O-CB 3.43Å; L1072-V1076 VanDerWaalsContact O-CG2 3.25Å; L1072-V1076 WeakPolarHBondContact O-CG2 3.48Å; L1072-V1076 PolarHBondContact O-N 2.66Å
1073E84.9Confident74.1Confident123 Ų12372.2 Ų72.258%0.57539%0.387SS*.Hα-helixtrans-62-42.6176.3-72.1169.9171.500111.9E1069 K1070 V1076 S1077E1069-E1073 WeakPolarHBondContact O-CG 3.28Å; E1069-E1073 PolarHBondContact O-N 2.86Å; K1070-E1073 PolarHBondContact O-N 3.35Å; E1073-V1076 PolarHBondContact O-N 3.28Å; E1073-S1077 VanDerWaalsContact O-CB 3.26Å; E1073-S1077 WeakPolarHBondContact O-CB 3.39Å; E1073-S1077 PolarHBondContact O-N 3.46Å; E1073-S1077 PolarHBondContact O-OG 2.74Å
1074Q80.9Confident72Confident114 Ų11471.1 Ų71.153%0.53340%0.397SS..Hα-helixtrans-60.9-48.7173-74.7174.5-10.100111.9K1070 F1071 V1076 S1077 S1078K1070-Q1074 WeakPolarHBondContact O-CG 3.31Å; K1070-Q1074 PolarHBondContact O-N 3.18Å; F1071-Q1074 PolarHBondContact O-N 3.3Å; Q1074-V1076 VanDerWaalsContact C-N 3.29Å; Q1074-V1076 PolarHBondContact O-N 3.42Å; Q1074-S1077 PolarHBondContact O-N 2.93Å; Q1074-S1078 VanDerWaalsContact O-CB 3.23Å; Q1074-S1078 WeakPolarHBondContact O-CB 3.29Å; Q1074-S1078 PolarHBondContact O-N 2.97Å
1075I78.9Confident70.1Confident3 Ų379 Ų792%0.01544%0.44CS..Hα-helixtrans-64.7-33178.5-70.5165.4000112R1033 L1036 I1037 M1040 F1071 L1072 P1082R1033-I1075 PolarHBondContact NH1-O 2.59Å; R1033-I1075 PolarHBondContact NH2-O 3.01Å; L1036-I1075 HydrophobicContact CD2-CD1 3.77Å; L1036-I1075 HydrophobicContact CD2-CG1 4.39Å; L1036-I1075 HydrophobicContact CD2-CG2 4.34Å; L1036-I1075 HydrophobicContact CG-CD1 4.14Å; I1037-I1075 HydrophobicContact CD1-CG2 4.05Å; I1037-I1075 HydrophobicContact CG1-CG2 3.56Å; M1040-I1075 HydrophobicContact CG-CD1 4.26Å; F1071-I1075 HydrophobicContact CD1-CD1 3.66Å; F1071-I1075 HydrophobicContact CD2-CD1 4.48Å; F1071-I1075 HydrophobicContact CE1-CD1 3.4Å; F1071-I1075 VanDerWaalsContact CE1-CD1 3.4Å; F1071-I1075 HydrophobicContact CE1-CG1 4.5Å; F1071-I1075 HydrophobicContact CE2-CD1 4.27Å; F1071-I1075 HydrophobicContact CG-CD1 4.21Å; F1071-I1075 HydrophobicContact CZ-CD1 3.73Å; F1071-I1075 HydrophobicContact CZ-CG1 4.45Å; F1071-I1075 WeakPolarHBondContact O-CG1 3.26Å; F1071-I1075 PolarHBondContact O-N 3.49Å; L1072-I1075 PolarHBondContact O-N 3.23Å; I1075-P1082 HydrophobicContact CD1-CG 4.45Å; I1075-P1082 HydrophobicContact CG1-CG 3.92Å
1076V80.8Confident67.7Low72 Ų7283.7 Ų83.744%0.43647%0.473SS..Hα-helixtrans-72.8-41.8176.5167.60000111.3R1033 I1037 L1072 E1073 Q1074R1033-V1076 PolarHBondContact NH2-O 2.89Å; I1037-V1076 HydrophobicContact CD1-CG2 4.2Å; L1072-V1076 WeakPolarHBondContact O-CB 3.43Å; L1072-V1076 VanDerWaalsContact O-CG2 3.25Å; L1072-V1076 WeakPolarHBondContact O-CG2 3.48Å; L1072-V1076 PolarHBondContact O-N 2.66Å; E1073-V1076 PolarHBondContact O-N 3.28Å; Q1074-V1076 VanDerWaalsContact C-N 3.29Å; Q1074-V1076 PolarHBondContact O-N 3.42Å
1077S77.4Confident66.1Low97 Ų9782.6 Ų82.668%0.67847%0.469SS*.Hα-helixtrans-87.5-36.7-171.1-49.70000114.3E1073 Q1074E1073-S1077 VanDerWaalsContact O-CB 3.26Å; E1073-S1077 WeakPolarHBondContact O-CB 3.39Å; E1073-S1077 PolarHBondContact O-N 3.46Å; E1073-S1077 PolarHBondContact O-OG 2.74Å; Q1074-S1077 PolarHBondContact O-N 2.93Å
1078S66.8Low65Low48 Ų4881.9 Ų81.934%0.33647%0.47SS..  trans-74.8133.1177.6174.10000110.9R1033 Q1074 A1080R1033-S1078 PolarHBondContact NH1-O 3.3Å; R1033-S1078 PolarHBondContact NH2-O 2.87Å; Q1074-S1078 VanDerWaalsContact O-CB 3.23Å; Q1074-S1078 WeakPolarHBondContact O-CB 3.29Å; Q1074-S1078 PolarHBondContact O-N 2.97Å; S1078-A1080 VanDerWaalsContact C-N 3.32Å; S1078-A1080 PolarHBondContact OG-N 2.81Å; S1078-A1080 PolarHBondContact OG-O 3.41Å
1079N55.2Low63.5Low159 Ų15989.9 Ų89.985%0.8551%0.513SS*.SBendtrans-77.5-16.9168.7-80.3-34.2000113.3
1080A52.1Low62Low55 Ų5592.5 Ų92.546%0.45553%0.528SS..SBendtrans-90.6149.3173.800000111.5S1078S1078-A1080 VanDerWaalsContact C-N 3.32Å; S1078-A1080 PolarHBondContact OG-N 2.81Å; S1078-A1080 PolarHBondContact OG-O 3.41Å
1081P50.2Low60.9Low98 Ų9887.5 Ų87.564%0.63651%0.506SS*.  trans-62.5140.716629.2-34.2000109.9L1083P1081-L1083 PolarHBondContact O-N 3.37Å
1082P44Very low59.9Low60 Ų6090.7 Ų90.739%0.3952%0.524SS..  trans-68.6114.9177.428.1-33.5000110.1F1071 I1075F1071-P1082 HydrophobicContact CE2-CB 4.06Å; F1071-P1082 HydrophobicContact CE2-CG 3.79Å; F1071-P1082 HydrophobicContact CZ-CG 3.92Å; I1075-P1082 HydrophobicContact CD1-CG 4.45Å; I1075-P1082 HydrophobicContact CG1-CG 3.92Å
1083L36.5Very low58.4Low149 Ų14994 Ų9478%0.7855%0.545SS*.  trans-100.5161.4173.7-81.6160.8000110.6P1081P1081-L1083 PolarHBondContact O-N 3.37Å
1084S38.2Very low57Low97 Ų9794 Ų9468%0.67855%0.549SS*.SBendtrans61.579.4174.853.30000117.3S1086S1084-S1086 PolarHBondContact O-N 3.29Å
1085N41.3Very low55.8Low174 Ų17489 Ų8993%0.9353%0.526SS*.  28.368.2114.7-54.921.1000117.6
1086S38.6Very low54.9Low104 Ų10493 Ų9373%0.72755%0.545SS*.  trans-124.291.7152.950.90000110S1084S1084-S1086 PolarHBondContact O-N 3.29Å
1087V53.7Low53.8Low59 Ų5992.6 Ų92.636%0.35855%0.546SS..  trans-61.1127.3156.5176.60000106D1089 W1091 E1096V1087-D1089 PolarHBondContact O-N 2.91Å; V1087-W1091 HydrophobicContact CG1-CB 3.71Å; V1087-W1091 HydrophobicContact CG1-CD2 4.24Å; V1087-W1091 HydrophobicContact CG1-CE3 4.25Å; V1087-W1091 HydrophobicContact CG1-CG 4.03Å; V1087-E1096 HydrophobicContact CG2-CG 4.2Å
1088P55.5Low52.8Low46 Ų4691.5 Ų91.530%0.29953%0.532SS..  trans-64.6134-179.4-19.831.6000110.5D1090 W1091P1088-D1090 PolarHBondContact O-N 2.73Å; P1088-W1091 VanDerWaalsContact O-CB 3.32Å; P1088-W1091 WeakPolarHBondContact O-CB 3.35Å; P1088-W1091 PolarHBondContact O-N 3.42Å
1089D55.5Low52.3Low174 Ų17490.5 Ų90.593%0.9352%0.523SS*.THydrogen-bonded Turntrans-49.8-23.3-175.1-50-34.6000114.5V1087 W1091V1087-D1089 PolarHBondContact O-N 2.91Å; D1089-W1091 PolarHBondContact O-N 2.92Å
1090D57.5Low52.3Low112 Ų11284.4 Ų84.460%0.59949%0.493SS*.THydrogen-bonded Turntrans-69.96.1175.7-118.258.8000115.6R1063 P1088R1063-D1090 IonicContact CZ-OD2 2.66Å; R1063-D1090 VanDerWaalsContact CZ-OD2 3.25Å; R1063-D1090 PolarHBondContact NH1-O 2.95Å; R1063-D1090 IonicContact NH1-OD2 2.59Å; R1063-D1090 PolarHBondContact NH1-OD2 3.04Å; R1063-D1090 IonicContact NH2-OD2 3.98Å; R1063-D1090 PolarHBondContact NH2-OD2 2.96Å; P1088-D1090 PolarHBondContact O-N 2.73Å
1091W61.9Low52.5Low35 Ų3587.7 Ų87.713%0.13350%0.503CS..  trans-109.4125.4-169.9-77.347.3000113.3H1067 V1087 P1088 D1089 T1095 L1099H1067-W1091 HydrophobicContact CB-CH2 4.41Å; H1067-W1091 HydrophobicContact CB-CZ2 4.11Å; H1067-W1091 AromaticContact CD2-CZ2 3.57Å; H1067-W1091 AromaticContact CG-CZ2 3.83Å; V1087-W1091 HydrophobicContact CG1-CB 3.71Å; V1087-W1091 HydrophobicContact CG1-CD2 4.24Å; V1087-W1091 HydrophobicContact CG1-CE3 4.25Å; V1087-W1091 HydrophobicContact CG1-CG 4.03Å; P1088-W1091 VanDerWaalsContact O-CB 3.32Å; P1088-W1091 WeakPolarHBondContact O-CB 3.35Å; P1088-W1091 PolarHBondContact O-N 3.42Å; D1089-W1091 PolarHBondContact O-N 2.92Å; W1091-T1095 HydrophobicContact CD2-CG2 3.85Å; W1091-T1095 HydrophobicContact CE3-CG2 3.36Å; W1091-T1095 HydrophobicContact CH2-CG2 4.06Å; W1091-T1095 HydrophobicContact CZ2-CG2 4.5Å; W1091-T1095 HydrophobicContact CZ3-CG2 3.47Å; W1091-T1095 VanDerWaalsContact CZ3-CG2 3.47Å; W1091-L1099 HydrophobicContact CE3-CD1 4.42Å; W1091-L1099 HydrophobicContact CH2-CD1 3.64Å; W1091-L1099 HydrophobicContact CH2-CG 4.3Å; W1091-L1099 HydrophobicContact CZ3-CD1 3.39Å; W1091-L1099 HydrophobicContact CZ3-CG 3.86Å
1092D61.4Low52.6Low99 Ų9984.5 Ų84.553%0.52948%0.48SS..  trans-66.1147.8166.7-168.4-47.1000110.7D1094 T1095 E1096D1092-D1094 PolarHBondContact O-N 3.4Å; D1092-D1094 PolarHBondContact OD1-N 3.18Å; D1092-T1095 WeakPolarHBondContact O-CA 3.44Å; D1092-T1095 VanDerWaalsContact O-CB 3.26Å; D1092-T1095 WeakPolarHBondContact O-CB 3.17Å; D1092-T1095 PolarHBondContact O-N 2.78Å; D1092-T1095 PolarHBondContact O-OG1 3.26Å; D1092-E1096 PolarHBondContact O-N 3.42Å; D1092-E1096 VanDerWaalsContact O-N 3.07Å
1093T54.3Low52.9Low95 Ų9586.9 Ų86.958%0.58348%0.484SS*.Hα-helixtrans-52-32.5172.3-42.50000112.9T1095 E1096 S1097T1093-T1095 PolarHBondContact O-N 3.34Å; T1093-E1096 PolarHBondContact O-N 3.29Å; T1093-S1097 WeakPolarHBondContact O-CB 3.37Å; T1093-S1097 PolarHBondContact O-N 2.82Å; T1093-S1097 PolarHBondContact O-OG 3.12Å
1094D56.3Low53.3Low123 Ų12387 Ų8766%0.65848%0.481SS*.Hα-helixtrans-62-29.6171.7-98.411.3000112.6D1092 L1098D1092-D1094 PolarHBondContact O-N 3.4Å; D1092-D1094 PolarHBondContact OD1-N 3.18Å; D1094-L1098 WeakPolarHBondContact O-CD1 3.32Å; D1094-L1098 WeakPolarHBondContact O-CG 3.24Å
1095T55.7Low53.3Low9 Ų990.7 Ų90.76%0.05549%0.485CS..Hα-helixtrans-86.2-38.1179.6-32.90000111.4L1060 I1064 W1091 D1092 T1093 L1098L1060-T1095 HydrophobicContact CD1-CG2 4Å; I1064-T1095 HydrophobicContact CD1-CG2 4.11Å; I1064-T1095 HydrophobicContact CG1-CG2 4.02Å; W1091-T1095 HydrophobicContact CD2-CG2 3.85Å; W1091-T1095 HydrophobicContact CE3-CG2 3.36Å; W1091-T1095 HydrophobicContact CH2-CG2 4.06Å; W1091-T1095 HydrophobicContact CZ2-CG2 4.5Å; W1091-T1095 HydrophobicContact CZ3-CG2 3.47Å; W1091-T1095 VanDerWaalsContact CZ3-CG2 3.47Å; D1092-T1095 WeakPolarHBondContact O-CA 3.44Å; D1092-T1095 VanDerWaalsContact O-CB 3.26Å; D1092-T1095 WeakPolarHBondContact O-CB 3.17Å; D1092-T1095 PolarHBondContact O-N 2.78Å; D1092-T1095 PolarHBondContact O-OG1 3.26Å; T1093-T1095 PolarHBondContact O-N 3.34Å; T1095-L1098 PolarHBondContact O-N 2.7Å
1096E59Low52.9Low87 Ų8788.5 Ų88.541%0.40747%0.473SS..Hα-helixtrans-61.3-48.4171.6-176.4172.9-151.700110.8V1087 D1092 T1093 L1098 L1099 S1100V1087-E1096 HydrophobicContact CG2-CG 4.2Å; D1092-E1096 PolarHBondContact O-N 3.42Å; D1092-E1096 VanDerWaalsContact O-N 3.07Å; T1093-E1096 PolarHBondContact O-N 3.29Å; E1096-L1098 PolarHBondContact O-N 2.7Å; E1096-L1098 VanDerWaalsContact O-N 3.1Å; E1096-L1099 CarbonylContact O-C 3.58Å; E1096-L1099 WeakPolarHBondContact O-CA 3.22Å; E1096-L1099 PolarHBondContact O-N 3.02Å; E1096-S1100 PolarHBondContact O-N 2.91Å; E1096-S1100 PolarHBondContact O-OG 3.15Å
1097S58.2Low52.8Low64 Ų6488.7 Ų88.745%0.44847%0.465SS..Hα-helixtrans-56.1-30.7177.7-58.50000113.5T1093 L1099 S1100 D1101T1093-S1097 WeakPolarHBondContact O-CB 3.37Å; T1093-S1097 PolarHBondContact O-N 2.82Å; T1093-S1097 PolarHBondContact O-OG 3.12Å; S1097-L1099 VanDerWaalsContact C-N 3.26Å; S1097-L1099 PolarHBondContact O-N 3.3Å; S1097-S1100 PolarHBondContact O-N 2.96Å; S1097-D1101 PolarHBondContact O-N 3.32Å
1098L57Low51.7Low75 Ų7592.6 Ų92.639%0.39348%0.483SS..Hα-helixtrans-74.6-11.6175-75.1169.8000114I1064 D1094 T1095 E1096I1064-L1098 HydrophobicContact CD1-CD1 4.12Å; D1094-L1098 WeakPolarHBondContact O-CD1 3.32Å; D1094-L1098 WeakPolarHBondContact O-CG 3.24Å; T1095-L1098 PolarHBondContact O-N 2.7Å; E1096-L1098 PolarHBondContact O-N 2.7Å; E1096-L1098 VanDerWaalsContact O-N 3.1Å
1099L56.8Low50.8Low27 Ų2795.3 Ų95.314%0.14150%0.495CS..Hα-helixtrans-105.2-25.6167-66.6-173.7000112.6L1068 W1091 E1096 S1097 D1101 L1102 F1103L1068-L1099 HydrophobicContact CD2-CD2 4.24Å; W1091-L1099 HydrophobicContact CE3-CD1 4.42Å; W1091-L1099 HydrophobicContact CH2-CD1 3.64Å; W1091-L1099 HydrophobicContact CH2-CG 4.3Å; W1091-L1099 HydrophobicContact CZ3-CD1 3.39Å; W1091-L1099 HydrophobicContact CZ3-CG 3.86Å; E1096-L1099 CarbonylContact O-C 3.58Å; E1096-L1099 WeakPolarHBondContact O-CA 3.22Å; E1096-L1099 PolarHBondContact O-N 3.02Å; S1097-L1099 VanDerWaalsContact C-N 3.26Å; S1097-L1099 PolarHBondContact O-N 3.3Å; L1099-D1101 PolarHBondContact O-N 2.86Å; L1099-L1102 HydrophobicContact CD2-CD2 3.85Å; L1099-L1102 WeakPolarHBondContact O-CA 3.4Å; L1099-L1102 VanDerWaalsContact O-CB 3.23Å; L1099-L1102 WeakPolarHBondContact O-CB 3.33Å; L1099-L1102 PolarHBondContact O-N 2.97Å; L1099-F1103 HydrophobicContact CB-CD2 4.29Å; L1099-F1103 HydrophobicContact CB-CE2 4.14Å; L1099-F1103 WeakPolarHBondContact O-CD2 3.31Å; L1099-F1103 PolarHBondContact O-N 3.22Å
1100S54.8Low49.6Very low31 Ų3191 Ų9122%0.21747%0.472CS..Hα-helixtrans-56.6-40171.1-49.90000110.8E1096 S1097 L1102 F1103 E1104E1096-S1100 PolarHBondContact O-N 2.91Å; E1096-S1100 PolarHBondContact O-OG 3.15Å; S1097-S1100 PolarHBondContact O-N 2.96Å; S1100-L1102 PolarHBondContact O-N 3.35Å; S1100-F1103 PolarHBondContact O-N 3.5Å; S1100-E1104 VanDerWaalsContact CB-OE2 3.23Å; S1100-E1104 WeakPolarHBondContact CB-OE2 3.49Å; S1100-E1104 WeakPolarHBondContact O-CB 3.37Å; S1100-E1104 WeakPolarHBondContact O-CG 3.31Å; S1100-E1104 PolarHBondContact O-N 3.44Å
1101D55.1Low48.6Very low124 Ų12490.8 Ų90.866%0.66347%0.471SS*.Hα-helixtrans-56.8-13.3171.3-146.130.8000114.5S1097 L1099S1097-D1101 PolarHBondContact O-N 3.32Å; L1099-D1101 PolarHBondContact O-N 2.86Å
1102L52.6Low47.4Very low30 Ų3094.9 Ų94.916%0.15750%0.495CS..Hα-helixtrans-97.8-28.2172.8-86.854.5000113.8M1040 I1043 L1068 L1099 S1100M1040-L1102 HydrophobicContact CE-CB 4.4Å; M1040-L1102 HydrophobicContact CE-CD2 3.71Å; M1040-L1102 HydrophobicContact CE-CG 3.96Å; M1040-L1102 HydrophobicContact SD-CD2 3.94Å; I1043-L1102 HydrophobicContact CD1-CD1 3.7Å; I1043-L1102 HydrophobicContact CD1-CD2 3.95Å; I1043-L1102 HydrophobicContact CD1-CG 3.56Å; I1043-L1102 HydrophobicContact CG1-CD1 4.4Å; I1043-L1102 HydrophobicContact CG2-CD1 4.28Å; I1043-L1102 HydrophobicContact CG2-CD2 4.36Å; L1068-L1102 HydrophobicContact CD2-CD2 4.08Å; L1099-L1102 HydrophobicContact CD2-CD2 3.85Å; L1099-L1102 WeakPolarHBondContact O-CA 3.4Å; L1099-L1102 VanDerWaalsContact O-CB 3.23Å; L1099-L1102 WeakPolarHBondContact O-CB 3.33Å; L1099-L1102 PolarHBondContact O-N 2.97Å; S1100-L1102 PolarHBondContact O-N 3.35Å
1103F51.5Low46.2Very low111 Ų11196.8 Ų96.849%0.48750%0.501SS..Hα-helixtrans-114.9-28.2-167.6-62.1-62.6000113.8F1071 L1099 S1100 K1105F1071-F1103 AromaticContact CE1-CE1 3.92Å; F1071-F1103 HydrophobicContact CE1-CE1 3.92Å; F1071-F1103 AromaticContact CE1-CZ 3.63Å; F1071-F1103 HydrophobicContact CE1-CZ 3.63Å; F1071-F1103 AromaticContact CZ-CE1 3.84Å; F1071-F1103 HydrophobicContact CZ-CE1 3.84Å; F1071-F1103 AromaticContact CZ-CZ 3.66Å; F1071-F1103 HydrophobicContact CZ-CZ 3.66Å; L1099-F1103 HydrophobicContact CB-CD2 4.29Å; L1099-F1103 HydrophobicContact CB-CE2 4.14Å; L1099-F1103 WeakPolarHBondContact O-CD2 3.31Å; L1099-F1103 PolarHBondContact O-N 3.22Å; S1100-F1103 PolarHBondContact O-N 3.5Å; F1103-K1105 PolarHBondContact O-N 2.96Å
1104E45.2Very low45.2Very low150 Ų15099.2 Ų99.270%0.70151%0.508SS*.SBendtrans-71.4-13.1173.9-68.2-177.7118.700113.2S1100 D1106S1100-E1104 VanDerWaalsContact CB-OE2 3.23Å; S1100-E1104 WeakPolarHBondContact CB-OE2 3.49Å; S1100-E1104 WeakPolarHBondContact O-CB 3.37Å; S1100-E1104 WeakPolarHBondContact O-CG 3.31Å; S1100-E1104 PolarHBondContact O-N 3.44Å; E1104-D1106 PolarHBondContact O-N 3.41Å
1105K36.5Very low44.2Very low175 Ų17599.1 Ų99.176%0.76151%0.507SS*.SBendtrans-75.885.7158.5-92.3-177.4175.4170.60109.1F1103 I1107F1103-K1105 PolarHBondContact O-N 2.96Å; K1105-I1107 PolarHBondContact O-N 3.45Å
1106D34Very low43.2Very low128 Ų128107.1 Ų107.168%0.68454%0.541SS*.  trans-35.8113.5158.3-82.2-39000108.9E1104 N1108E1104-D1106 PolarHBondContact O-N 3.41Å; D1106-N1108 VanDerWaalsContact CB-ND2 3.28Å; D1106-N1108 WeakPolarHBondContact CB-ND2 3.49Å; D1106-N1108 PolarHBondContact O-N 3.07Å; D1106-N1108 PolarHBondContact O-ND2 3.36Å
1107I37.3Very low41.8Very low109 Ų109111.9 Ų111.956%0.55956%0.561SS**  trans-67.684.1161.8-57177.4000104.4K1105 L1109K1105-I1107 PolarHBondContact O-N 3.45Å; I1107-L1109 HydrophobicContact CG2-CD1 3.99Å; I1107-L1109 PolarHBondContact O-N 3.01Å
1108N30.5Very low40.5Very low140 Ų140114.7 Ų114.775%0.74957%0.569SS**  trans-60.888.3173.5-93.8-97.7000106.9D1106 D1110D1106-N1108 VanDerWaalsContact CB-ND2 3.28Å; D1106-N1108 WeakPolarHBondContact CB-ND2 3.49Å; D1106-N1108 PolarHBondContact O-N 3.07Å; D1106-N1108 PolarHBondContact O-ND2 3.36Å; N1108-D1110 PolarHBondContact O-N 3.43Å
1109L35.6Very low39.2Very low103 Ų103116.6 Ų116.654%0.53959%0.586SS.*  trans-70.3100.5179.6-143.575.1000105.1P1032 I1107 D1111P1032-L1109 HydrophobicContact CG-CD1 4.42Å; I1107-L1109 HydrophobicContact CG2-CD1 3.99Å; I1107-L1109 PolarHBondContact O-N 3.01Å; L1109-D1111 VanDerWaalsContact C-N 3.3Å; L1109-D1111 PolarHBondContact O-N 3.44Å
1110D31.1Very low37.9Very low83 Ų83122.2 Ų122.244%0.44462%0.615SS.*  trans-64.792.1179.5-17820.1000108.5N1108 N1112 Q1113N1108-D1110 PolarHBondContact O-N 3.43Å; D1110-N1112 PolarHBondContact O-N 3.39Å; D1110-N1112 WeakPolarHBondContact OD1-CB 3.35Å; D1110-N1112 PolarHBondContact OD1-ND2 3.35Å; D1110-Q1113 WeakPolarHBondContact O-CB 3.27Å; D1110-Q1113 PolarHBondContact O-N 3.07Å
1111D36.5Very low36.9Very low109 Ų109126 Ų12658%0.58364%0.641SS**THydrogen-bonded Turntrans-53.9-21.3-176.4-81.3-37.3000112.8L1109 Q1113 M1114 N1115L1109-D1111 VanDerWaalsContact C-N 3.3Å; L1109-D1111 PolarHBondContact O-N 3.44Å; D1111-Q1113 PolarHBondContact O-N 3.01Å; D1111-M1114 PolarHBondContact O-N 2.72Å; D1111-N1115 PolarHBondContact O-N 3.28Å; D1111-N1115 PolarHBondContact O-ND2 3.14Å
1112N36.1Very low35.8Very low121 Ų121129.1 Ų129.165%0.64765%0.649SS**THydrogen-bonded Turntrans-61.4-15.5171.1-59.4-71.6000113.8D1110D1110-N1112 PolarHBondContact O-N 3.39Å; D1110-N1112 WeakPolarHBondContact OD1-CB 3.35Å; D1110-N1112 PolarHBondContact OD1-ND2 3.35Å
1113Q36.7Very low35.1Very low139 Ų139135.1 Ų135.165%0.6568%0.681SS**THydrogen-bonded Turntrans-92.7-28.4174.6-64.1-153.175.300113.8D1110 D1111D1110-Q1113 WeakPolarHBondContact O-CB 3.27Å; D1110-Q1113 PolarHBondContact O-N 3.07Å; D1111-Q1113 PolarHBondContact O-N 3.01Å
1114M33.3Very low34Very low146 Ų146136.9 Ų136.972%0.71970%0.695SS**G310 helixtrans-69.4-44.9171.5-78.6-70.9-98.600111D1111 K1116 F1117D1111-M1114 PolarHBondContact O-N 2.72Å; M1114-K1116 PolarHBondContact O-N 3.25Å; M1114-F1117 PolarHBondContact O-N 2.82Å
1115N34.8Very low33.5Very low120 Ų120139.5 Ų139.564%0.64270%0.704SS**G310 helixtrans-70.2-2.4-179.9-75.7-52.9000114.8D1111D1111-N1115 PolarHBondContact O-N 3.28Å; D1111-N1115 PolarHBondContact O-ND2 3.14Å
1116K35.8Very low33Very low177 Ų177135.9 Ų135.977%0.7770%0.701SS**G310 helixtrans-94.5-0.6-178.9-148165.3-1751730114.5M1114M1114-K1116 PolarHBondContact O-N 3.25Å
1117F28.9Very low32.9Very low187 Ų187137.5 Ų137.582%0.8270%0.704SS**  trans-105.930.6177.5-85.1-83.2000114.1M1114 P1119M1114-F1117 PolarHBondContact O-N 2.82Å; F1117-P1119 WeakPolarHBondContact O-CD 3.47Å
1118I31.4Very low32.5Very low123 Ų123142 Ų14263%0.63171%0.714SS**  trans-75.9118.6163.8-60178.1000108.4I1120I1118-I1120 PolarHBondContact O-N 3.23Å
1119P29.3Very low32.7Very low115 Ų115142.4 Ų142.475%0.74772%0.717SS**  trans-75.392.5179.330.8-33.8000110.1F1117 S1121F1117-P1119 WeakPolarHBondContact O-CD 3.47Å; P1119-S1121 VanDerWaalsContact C-N 3.28Å; P1119-S1121 PolarHBondContact O-N 3.23Å
1120I29.3Very low32.5Very low146 Ų146145.6 Ų145.675%0.74973%0.729SS**  trans-69.988173.4-56.6178.2000108.9I1118 K1122I1118-I1120 PolarHBondContact O-N 3.23Å; I1120-K1122 PolarHBondContact O-N 3.21Å; I1120-K1122 VanDerWaalsContact O-N 3.12Å
1121S34.2Very low32.5Very low110 Ų110151.1 Ų151.177%0.76975%0.749SS**  trans-59.6110.5160.1500000107.9P1119 D1123P1119-S1121 VanDerWaalsContact C-N 3.28Å; P1119-S1121 PolarHBondContact O-N 3.23Å; S1121-D1123 PolarHBondContact O-N 2.71Å
1122K32.3Very low32Very low189 Ų189151.7 Ų151.782%0.82276%0.76SS**  trans-66.4120178.2-63.9175.5-178.6177.10109.2I1120I1120-K1122 PolarHBondContact O-N 3.21Å; I1120-K1122 VanDerWaalsContact O-N 3.12Å
1123D36.1Very low31.8Very low157 Ų157157 Ų15784%0.8477%0.771SS**  trans-139.8148.7145.6-119.2-41.2000110.4S1121S1121-D1123 PolarHBondContact O-N 2.71Å
1124L30.1Very low31.4Very low147 Ų147157.3 Ų157.377%0.7778%0.776SS**  trans-96.3134.3-165.1-60.891.8000112
1125K33.7Very low31.2Very low206 Ų206154.3 Ų154.390%0.89677%0.77SS**  -168.1149.3125.1-101.8144.6-166.9169.80114.5
1126S26.2Very low30.9Very low99 Ų99153.9 Ų153.969%0.69277%0.771SS**  trans-51.8159.3156.5-149.90000109.5
1127E32.3Very low30.5Very low161 Ų161152 Ų15275%0.75277%0.77SS**  cis-165.3171.945.1-167.3146.4-150.400114.3
1128R29.4Very low30.5Very low203 Ų203150 Ų15077%0.76676%0.763SS**  trans-58.8149.2175.9-53.4167.6176.4136-6.5111.7
1129N34.3Very low30.5Very low150 Ų150154.8 Ų154.880%0.80278%0.775SS**  -172.8162.196.3-95.4-50.4000114.6
1130Q30.5Very low30.6Very low169 Ų169152.6 Ų152.679%0.7977%0.773SS**  trans-82144.4-176.9-56.6160.5-18.700111.9
1131K31.8Very low30.7Very low199 Ų199154 Ų15487%0.86578%0.777SS**  -177.3139.8105.9-101.5169.1-179.1172.80113.3
1132C25.2Very low30.5Very low122 Ų122155 Ų15582%0.82477%0.774SS**  trans-81.2152.8164-49.90000110.8
1133R31.6Very low30.5Very low233 Ų233151.4 Ų151.488%0.87976%0.759SS**  trans148.5141.8157.8-88.2173.5-179.2-153-1.3107.8
1134L29Very low30.3Very low144 Ų144152.7 Ų152.775%0.75475%0.752SS**  cis-159.5178.5-13-123.1170.5000107.1
1135S29.6Very low30.5Very low84 Ų84152.5 Ų152.559%0.58775%0.751SS**  trans15.3111.1159.553.80000117.6
1136T26.9Very low30.4Very low110 Ų110149.9 Ų149.968%0.67574%0.741SS**  55134.677.274.90000113.8
1137D28.5Very low30.8Very low138 Ų138151.6 Ų151.674%0.73874%0.739SS**  trans68.3142.9161.5-32.6-48.5000115.3
1138E28.5Very low30.7Very low145 Ų145151.3 Ų151.368%0.67874%0.735SS**  cis-162.7158.5-9.5-130-178.1-178.600107.2
1139Y31.5Very low30.8Very low223 Ų223146.9 Ų146.988%0.87573%0.73SS**  trans60.7164.3-178.3-54.7-82.5000115
1140G32.4Very low30.7Very low69 Ų69147.2 Ų147.271%0.71173%0.731SS**  cis-161.4165.7-3.600000110.7
1141E29.8Very low30.6Very low176 Ų176143.1 Ų143.182%0.82272%0.721SS**  trans-52.6177.7-173.6-56.7-176.4117.700116.5
1142D31Very low30.6Very low132 Ų132141.9 Ų141.971%0.70672%0.716SS**  trans64.9122150.3-77.99.3000117.1
1143E31.7Very low30.8Very low112 Ų112146.1 Ų146.152%0.52371%0.714SS.*  cis171.5176.823.3-134.1-170.9137.200107.8
1144R33.2Very low30.7Very low184 Ų184139.7 Ų139.769%0.69471%0.705SS**  trans68.5150.8140.7-82.3172.2-165.6161.427.9121.1
1145I32.6Very low30.9Very low143 Ų143138 Ų13873%0.73371%0.705SS**  trans68.4125.2142-74.8164.1000116.8
1146H31.7Very low30.9Very low151 Ų151138.2 Ų138.270%0.69971%0.707SS**  cis-172.9-165.2-16.9-146-135.9000106.2
1147E34.5Very low31.2Very low136 Ų136137.8 Ų137.864%0.63671%0.707SS**  trans57.1101.8155-61.9-152.512100118.6
1148K31.4Very low31.6Very low154 Ų154138.5 Ų138.567%0.6771%0.711SS**  79.2150.365.2-77.3-175-152.3158.20112.7
1149V30.7Very low32.1Very low110 Ų110134.7 Ų134.767%0.66771%0.71SS**  trans75.1109.9134.8156.60000117.4
1150L31.8Very low32.1Very low157 Ų157132.5 Ų132.582%0.82271%0.708SS**  trans71.6153145.1-61.9176.6000117.1
1151S29.4Very low32Very low84 Ų84135.9 Ų135.959%0.58771%0.709SS**  cis-179.8-173.7-18.7-178.80000106
1152K31.6Very low31.9Very low172 Ų172132.8 Ų132.875%0.74871%0.705SS**  trans76.8138.3165.7-51.7156.2-171.2167.40112.2
1153R29.5Very low31.9Very low211 Ų211130 Ų13080%0.79671%0.707SS**  cis-162.1174.4-5.8-123.7174.6-179.4164.5-4.3109.1
1154S30.3Very low31.7Very low98 Ų98135 Ų13569%0.68572%0.721SS**  trans30.2137.3135.2-53.50000119.4
1155S32Very low31.3Very low109 Ų109132 Ų13276%0.76272%0.724SS**  cis179.3-175.25.2480000106.8
1156S29.3Very low31Very low89 Ų89130 Ų13062%0.62272%0.722SS**  cis-164154.817.953.60000111.2
1157C34.9Very low30.9Very low101 Ų101131.2 Ų131.268%0.68273%0.728SS**  trans67.7148.2151.9-590000118.9
1158D35Very low30.7Very low153 Ų153133.6 Ų133.682%0.81874%0.737SS**  cis-162.1166.9-20.4-99.5-24.3000108.7
1159G39Very low30.6Very low64 Ų64133.9 Ų133.966%0.6674%0.741SS**  trans94.7101178.800000112.2
1160E31.6Very low30.6Very low177 Ų177134.8 Ų134.883%0.82775%0.746SS**  65.6133.853.2-54.1-156.6132.200113.5
1161I31.1Very low30.7Very low140 Ų140131.1 Ų131.172%0.71874%0.739SS**  cis-152.6167.5-0.5-125.8166.4000113.1
1162C28.2Very low30.7Very low112 Ų112134.4 Ų134.476%0.75775%0.745SS**  trans-40.7144.7171.4-174.80000117.4
1163G30.9Very low30.6Very low72 Ų72133.7 Ų133.774%0.74274%0.742SS**  trans161.885.6169.600000112.1
1164R26.4Very low30.6Very low217 Ų217129.2 Ų129.282%0.81973%0.733SS**  76.811151.9-149.2-167.8-159.5-170.27.2113.7
1165T26Very low30.4Very low122 Ų122129.6 Ų129.675%0.74873%0.731SS**  trans68.4160.5153.241.60000121.3
1166S25.6Very low30.1Very low100 Ų100131 Ų13170%0.69973%0.726SS**  trans64.9121174.624.90000115.8
1167Q29.8Very low30Very low177 Ų177135 Ų13583%0.82773%0.732SS**  62.7103.359.9-66-178.9-46.800113.6
1168F30Very low29.5Very low187 Ų187135.7 Ų135.782%0.8274%0.738SS**  -161.8105.7127.1-99.5-73.8000104.2
1169E29.8Very low29.1Very low159 Ų159131.9 Ų131.974%0.74374%0.735SS**  70149.256.6-161.2-175-160.100112.2
1170V31.2Very low28.5Very low130 Ų130139.9 Ų139.979%0.78875%0.745SS**  trans72.5123.7-179.9-169.20000111.7
1171A32.4Very low28.3Very low80 Ų80136.5 Ų136.566%0.66174%0.737SS**  cis-166.7165.1-1.400000107.3
1172Q31Very low28.3Very low152 Ų152137.3 Ų137.371%0.7174%0.743SS**  cis-170.1148.7-11.4-109.9-179.49.500105.4
1173K29.7Very low28.3Very low158 Ų158141.3 Ų141.369%0.68775%0.747SS**  trans59.4160.4136.1-63.6-177.8168.5-172.10119.9
1174D27.5Very low28.3Very low116 Ų116145 Ų14562%0.6276%0.755SS**  cis-150.8135.7-19.4-110.2-20000109.2
1175V27.1Very low28.3Very low106 Ų106141.7 Ų141.764%0.64275%0.749SS**  47124.7118177.40000119.2
1176Q25.9Very low28.5Very low139 Ų139142 Ų14265%0.6576%0.755SS**  trans83.4116151.4-7717571.800122.6
1177K26.6Very low28.8Very low172 Ų172145.9 Ų145.975%0.74876%0.759SS**  69154.5121.7-64.5171.3-176.2163.80121.5
1178S25.4Very low28.8Very low117 Ų117142.8 Ų142.882%0.81875%0.749SS**  trans61.275.5145.7-174.90000116.8
1179G25.7Very low28.8Very low73 Ų73140 Ų14075%0.75374%0.743SS**  94.3-164.363.500000111.5
1180R26.8Very low29.1Very low232 Ų232139.7 Ų139.788%0.87575%0.746SS**  trans62.5101.8177.2-99.4-172.6168.8159.6-1.6118.4
1181T26.5Very low29.4Very low106 Ų106140.1 Ų140.165%0.6574%0.737SS**  46.4119.8123.159.10000119.4
1182N32.4Very low29.6Very low157 Ų157143.1 Ų143.184%0.8474%0.737SS**  -159.8142.894.3-95.2-24.3000113.8
1183K27Very low29.6Very low195 Ų195143.9 Ų143.985%0.84874%0.739SS**  trans-67.2149.4167.4-62.7174.7172.3-175.10109.9
1184T31.8Very low29.9Very low149 Ų149140.3 Ų140.391%0.91473%0.73SS**  trans-144.6150145.4-430000108.1
1185E25.4Very low30.3Very low148 Ų148140.1 Ų140.169%0.69273%0.729SS**  trans-136.3117-150.3176.8178.7-161.700111.5
1186C31.9Very low30.7Very low130 Ų130140.6 Ų140.688%0.87873%0.727SS**  trans-140.381.1171.2-70.60000107.2
1187K31.1Very low31.2Very low180 Ų180138.4 Ų138.478%0.78372%0.723SS**  79.3121.480.8-75.8-167.6171.2-175.60114
1188D29.5Very low31.8Very low112 Ų112136.8 Ų136.860%0.59972%0.716SS**  trans-41.2147.6179.1-68.8-8.4000115.5K1191D1188-K1191 IonicContact OD2-NZ 2.65Å; D1188-K1191 PolarHBondContact OD2-NZ 2.82Å
1189N31.3Very low32.2Very low130 Ų130139.2 Ų139.270%0.69571%0.707SS**  trans-147.2-31150.4-100.7-36.9000113.2K1191N1189-K1191 PolarHBondContact O-N 3.18Å
1190D34.9Very low32.4Very low151 Ų151139.1 Ų139.181%0.80770%0.695SS**THydrogen-bonded Turntrans-7318.7-176.6-60.6-29.2000115.2Q1192D1190-Q1192 VanDerWaalsContact C-N 3.32Å
1191K38.3Very low32.8Very low140 Ų140134.4 Ų134.461%0.60968%0.683SS**THydrogen-bonded Turntrans-82.3-6.1174-129174.2-158.81540113.5D1188 N1189D1188-K1191 IonicContact OD2-NZ 2.65Å; D1188-K1191 PolarHBondContact OD2-NZ 2.82Å; N1189-K1191 PolarHBondContact O-N 3.18Å
1192Q35.4Very low33.1Very low143 Ų143134.9 Ų134.967%0.66868%0.681SS**SBendtrans-93.4-19-173.5-62.1-168.214.400115D1190D1190-Q1192 VanDerWaalsContact C-N 3.32Å
1193F31.6Very low33.2Very low168 Ų168133.5 Ų133.574%0.73767%0.67SS**SBendtrans-88.3-21.4-178.2-93.9-86.5000114.6
1194T36.6Very low33.3Very low83 Ų83129 Ų12951%0.50966%0.663SS.*Hα-helixtrans-80.8-25.7-176.9-34.60000113.3
1195D35.8Very low33.2Very low111 Ų111128.9 Ų128.959%0.59466%0.657SS**Hα-helixtrans-91.2-0.9-175-77.1-0.4000114R1199D1195-R1199 WeakPolarHBondContact O-CB 3.18Å
1196I35.9Very low33.3Very low117 Ų117129.6 Ų129.660%0.666%0.66SS**Hα-helixtrans-88.7-51.5174.3-62.6176000109.7K1198 R1199 S1200I1196-K1198 PolarHBondContact O-N 3.37Å; I1196-R1199 WeakPolarHBondContact O-CB 3.43Å; I1196-R1199 PolarHBondContact O-N 3.43Å; I1196-R1199 VanDerWaalsContact O-N 3.07Å; I1196-S1200 PolarHBondContact O-N 3.49Å
1197T36.5Very low33.2Very low92 Ų92131 Ų13156%0.56466%0.658SS**Hα-helixtrans-60.6-47.8-178.5-40.80000111.6R1199 S1200T1197-R1199 PolarHBondContact O-N 2.9Å; T1197-R1199 VanDerWaalsContact O-N 3.08Å; T1197-S1200 PolarHBondContact O-N 2.88Å; T1197-S1200 PolarHBondContact O-OG 2.72Å
1198K37.9Very low32.9Very low139 Ų139128.7 Ų128.760%0.60466%0.658SS**Hα-helixtrans-67.9-5.9177.7-70.6-170.4173.1-172.80114.8I1196 N1202I1196-K1198 PolarHBondContact O-N 3.37Å; K1198-N1202 PolarHBondContact O-ND2 3.43Å
1199R33.3Very low32.7Very low168 Ų168130.4 Ų130.463%0.63466%0.664SS**Hα-helixtrans-93.7-27176.9-157168.9-167.7146.90.7112.5D1195 I1196 T1197 Q1203D1195-R1199 WeakPolarHBondContact O-CB 3.18Å; I1196-R1199 WeakPolarHBondContact O-CB 3.43Å; I1196-R1199 PolarHBondContact O-N 3.43Å; I1196-R1199 VanDerWaalsContact O-N 3.07Å; T1197-R1199 PolarHBondContact O-N 2.9Å; T1197-R1199 VanDerWaalsContact O-N 3.08Å; R1199-Q1203 WeakPolarHBondContact O-CG 3.41Å; R1199-Q1203 PolarHBondContact O-N 3.27Å
1200S31.6Very low32.4Very low71 Ų71131.4 Ų131.450%0.49766%0.664SS.*Hα-helixtrans-68.3-48.4175.165.90000112.3I1196 T1197 N1202 Q1203 S1204I1196-S1200 PolarHBondContact O-N 3.49Å; T1197-S1200 PolarHBondContact O-N 2.88Å; T1197-S1200 PolarHBondContact O-OG 2.72Å; S1200-N1202 VanDerWaalsContact C-N 3.3Å; S1200-N1202 PolarHBondContact O-N 2.84Å; S1200-Q1203 PolarHBondContact O-N 3.33Å; S1200-Q1203 VanDerWaalsContact O-N 3.14Å; S1200-S1204 PolarHBondContact O-N 3.13Å
1201E34.3Very low32Very low132 Ų132133 Ų13362%0.61767%0.672SS**THydrogen-bonded Turntrans-67-29.5-179.4-63.6175.414000112.7
1202N32.9Very low31.6Very low116 Ų116135 Ų13562%0.6268%0.683SS**THydrogen-bonded Turntrans-84.5-3.9176-77.1-65.7000114.5K1198 S1200K1198-N1202 PolarHBondContact O-ND2 3.43Å; S1200-N1202 VanDerWaalsContact C-N 3.3Å; S1200-N1202 PolarHBondContact O-N 2.84Å
1203Q33.4Very low31Very low128 Ų128134.3 Ų134.360%0.59869%0.689SS**THydrogen-bonded Turntrans-101.7-21.9175-76.5-175.3-37.400113.5R1199 S1200 N1205R1199-Q1203 WeakPolarHBondContact O-CG 3.41Å; R1199-Q1203 PolarHBondContact O-N 3.27Å; S1200-Q1203 PolarHBondContact O-N 3.33Å; S1200-Q1203 VanDerWaalsContact O-N 3.14Å; Q1203-N1205 VanDerWaalsContact C-N 3.26Å; Q1203-N1205 PolarHBondContact O-N 3.41Å
1204S29.4Very low30.9Very low101 Ų101130.1 Ų130.171%0.70669%0.693SS**THydrogen-bonded Turntrans-71.9-17.1176.1-165.30000114.1S1200S1200-S1204 PolarHBondContact O-N 3.13Å
1205N29.9Very low30.4Very low146 Ų146133.4 Ų133.478%0.78170%0.703SS**THydrogen-bonded Turntrans-98.917.8-179.3-74-32.6000113.7Q1203Q1203-N1205 VanDerWaalsContact C-N 3.26Å; Q1203-N1205 PolarHBondContact O-N 3.41Å
1206Q28.1Very low30Very low164 Ų164134 Ų13477%0.76671%0.713SS**  trans-135.116.4-173.2-144168.366.800115.8V1208Q1206-V1208 VanDerWaalsContact C-N 3.3Å; Q1206-V1208 PolarHBondContact O-N 2.91Å
1207I29.1Very low29.5Very low160 Ų160131.7 Ų131.782%0.82171%0.707SS**  trans-93.964.6166.6-50.8-176.2000109.9
1208V25.5Very low29.2Very low130 Ų130134.2 Ų134.279%0.78872%0.716SS**  trans-105.4109.8153.6172.40000106Q1206Q1206-V1208 VanDerWaalsContact C-N 3.3Å; Q1206-V1208 PolarHBondContact O-N 2.91Å
1209M25.3Very low28.7Very low149 Ų149135.4 Ų135.473%0.73472%0.724SS**  trans178142.9150.5-90.1-108.8-81.900111.4
1210H25.6Very low28.5Very low150 Ų150133.1 Ų133.169%0.69473%0.731SS**  trans54.689165.4-59.7-58.6000119.6
1211L26.5Very low28.2Very low184 Ų184138 Ų13896%0.96375%0.751SS**  -121.2143.4120.1-153.372.6000108.8
1212Q28.2Very low27.8Very low183 Ų183136.4 Ų136.486%0.85575%0.754SS**PPolyproline II helixtrans-92.7134.5-155.2-141.3164.2-23.700113.1
1213T24.6Very low27.4Very low129 Ų129136.1 Ų136.179%0.79176%0.76SS**PPolyproline II helixtrans-80.1132.2177.6360000112.2
1214G28.8Very low27Very low80 Ų80137.6 Ų137.683%0.82577%0.768SS**PPolyproline II helixtrans-91.6119159.200000109.8
1215Q26.6Very low26.8Very low151 Ų151137.8 Ų137.871%0.70676%0.762SS**PPolyproline II helixtrans-78.8161.4177-61.5-174.2-63.600111
1216P27Very low26.5Very low123 Ų123138.9 Ų138.980%0.79976%0.76SS**PPolyproline II helix-102.1143.264.932.3-34.8000113.2
1217S25.5Very low26.3Very low69 Ų69137.3 Ų137.348%0.48376%0.755SS.*  cis59.8117.726.678.50000114.2
1218L28.7Very low26Very low146 Ų146139 Ų13976%0.76475%0.753SS**  cis-137.9170.26.1-61.488.4000107.4
1219E28.1Very low26Very low164 Ų164140.5 Ų140.577%0.76676%0.756SS**  cis-161.4134-5.4-127.9167.9-16600107.4
1220P28.9Very low26.1Very low119 Ų119139.1 Ų139.177%0.77375%0.752SS**  trans-110.4132.317535.7-27.4000112.8
1221L25.8Very low26Very low175 Ų175139.3 Ų139.392%0.91675%0.753SS**  trans-160.2150.1171.4-113.4157.9000114.7
1222S25.6Very low26.1Very low98 Ų98138.3 Ų138.369%0.68574%0.743SS**  trans79.180.8157.8-167.50000121.1
1223C24Very low26Very low110 Ų110134.4 Ų134.474%0.74373%0.731SS**  74.4111.7119.5-62.70000123
1224M25.3Very low26.3Very low158 Ų158137.8 Ų137.878%0.77874%0.735SS**  65.6128.6116.5-70.2-62.9-139.200123.3
1225N24.8Very low26.2Very low106 Ų106138.8 Ų138.857%0.56773%0.729SS**  trans87.6109.7130.6-74.2-7.6000123.3
1226F23.7Very low26.3Very low168 Ų168138.7 Ų138.774%0.73773%0.728SS**  95.3121117.6-75.8-35.2000122.6
1227I24.2Very low26.6Very low131 Ų131140 Ų14067%0.67272%0.721SS**  83.4122.9127.6-69.2170.6000119.3
1228Y23.9Very low26.8Very low195 Ų195144.1 Ų144.177%0.76574%0.737SS**  trans25.2132.4146.2-74.6-108.6000119.9
1229N25.2Very low26.8Very low162 Ų162142.1 Ų142.187%0.86674%0.735SS**  -155.7154.194-101.2-49.4000113.8
1230D26.2Very low26.9Very low121 Ų121142.8 Ų142.865%0.64774%0.735SS**  trans-93.3165.8176.7-155.5-32.1000110.5
1231H25.4Very low27.1Very low153 Ų153143.4 Ų143.471%0.70873%0.733SS**  trans66.6150.5177.1-48.5-23.8000113.9
1232H27.4Very low27Very low163 Ų163144 Ų14476%0.75573%0.73SS**  cis-156.5134.138-124.2-81.4000113.5
1233V27.3Very low27.2Very low101 Ų101145.8 Ų145.861%0.61274%0.741SS**  trans44.6121136.2175.60000121.5C1235V1233-C1235 WeakPolarHBondContact CG1-SG 3.27Å
1234K30.9Very low27.3Very low200 Ų200148 Ų14887%0.8775%0.745SS**  -147.5117.3121.2-94.6155.5-174.3173.20106.3
1235C25.5Very low27.5Very low102 Ų102148.4 Ų148.469%0.68975%0.749SS**  62.3126.474-66.10000111.8V1233V1233-C1235 WeakPolarHBondContact CG1-SG 3.27Å
1236E29.4Very low27.5Very low148 Ų148149 Ų14969%0.69275%0.752SS**  cis-152.5166.731.3-67.1-173.1102.700116.7
1237K31.8Very low27.7Very low150 Ų150147.4 Ų147.465%0.65276%0.757SS**  trans83.2116.3138.9-82.9154.1-172.8158.60123.4
1238L31.5Very low27.8Very low156 Ų156146.6 Ų146.682%0.81775%0.754SS**  trans70114.9139.6-54.9168000117.8
1239S28.5Very low27.8Very low104 Ų104146.2 Ų146.273%0.72776%0.757SS**  cis74102.941-166.60000115.1
1240K30.4Very low27.9Very low178 Ų178147.2 Ų147.277%0.77476%0.756SS**  -177.3159.4115.5-108.4-173.4169.7-163.70118.2
1241D31.8Very low27.8Very low133 Ų133148.1 Ų148.171%0.71176%0.76SS**  trans74.2127.3150.8-57.7-18.9000122.8
1242H25.2Very low27.7Very low186 Ų186150.7 Ų150.786%0.86177%0.765SS**  trans-89.5160.9172.2-59-116.6000111.4
1243C28.5Very low27.6Very low137 Ų137148.7 Ų148.793%0.92677%0.767SS**  trans-151.5157.4141.2-103.70000112.4
1244L25.6Very low27.5Very low157 Ų157148.3 Ų148.382%0.82277%0.769SS**  trans-110.3149.7-172.4-71.4151.9000111.7
1245L29.5Very low27.3Very low165 Ų165143.8 Ų143.886%0.86476%0.762SS**  trans177.3104.8157.5-98.3158.2000105.3
1246N25.2Very low27.3Very low118 Ų118146.2 Ų146.263%0.63176%0.763SS**  cis69.484.623-161.613.9000115.5N1248N1246-N1248 PolarHBondContact OD1-ND2 3.34Å; N1246-N1248 VanDerWaalsContact OD1-ND2 3.09Å
1247T29.4Very low27.2Very low136 Ų136143 Ų14383%0.83475%0.75SS**  trans-140.4138.3153.623.20000108.2
1248N25.3Very low27Very low114 Ų114139.1 Ų139.161%0.6174%0.737SS**  trans-114.8174.9-171.8-82-76000111.9N1246N1246-N1248 PolarHBondContact OD1-ND2 3.34Å; N1246-N1248 VanDerWaalsContact OD1-ND2 3.09Å
1249F24.9Very low26.7Very low187 Ų187138 Ų13882%0.8274%0.735SS**  trans77.7147.6168.4-48.8-74.8000115.5
1250Q26.5Very low26.6Very low182 Ų182141 Ų14185%0.8574%0.743SS**  cis-143.9159.16-149.3154.3-24.400112.6
1251L23.4Very low26.4Very low141 Ų141136.2 Ų136.274%0.73875%0.745SS**  trans-104163.3-179.7-84.1161.7000112.5
1252Y24Very low26Very low206 Ų206137.8 Ų137.881%0.80875%0.752SS**  trans73157.9167-63.8-72.4000118
1253P25.8Very low25.9Very low122 Ų122134.7 Ų134.779%0.79275%0.75SS**  cis-123167.8-0.625.5-3.7000117
1254S24.3Very low25.8Very low93 Ų93133 Ų13365%0.6575%0.746SS**  trans-52.4141.9164.3-176.60000115.5
1255S26.2Very low25.8Very low105 Ų105129.6 Ų129.673%0.73474%0.741SS**  -170.5119.8127.2130000107
1256E26.1Very low25.8Very low153 Ų153130.4 Ų130.472%0.71575%0.745SS**  52.995.775.9-64.2-169.8143.900113.2
1257N27.4Very low25.8Very low79 Ų79128 Ų12842%0.42275%0.748SS.*  175.3145.496.7-97.9-72.5000114.4L596L596-N1257 HydrophobicContact CB-CB 4.27Å; L596-N1257 HydrophobicContact CD1-CB 3.4Å; L596-N1257 VanDerWaalsContact CD1-CB 3.4Å; L596-N1257 HydrophobicContact CG-CB 3.51Å
1258I27.4Very low25.6Very low70 Ų70125.3 Ų125.336%0.35975%0.748SS.*  trans63.1110.3139.5-69166.1000117.9T594 P595 L596T594-I1258 HydrophobicContact CG2-CD1 4.43Å; P595-I1258 HydrophobicContact CB-CD1 3.33Å; L596-I1258 HydrophobicContact CB-CD1 4.32Å
1259V25.8Very low25.7Very low131 Ų131126.3 Ų126.379%0.79475%0.751SS**  67.985.657-173.70000113.1
1260N25.6Very low25.7Very low167 Ų167122.2 Ų122.289%0.89375%0.746SS**  trans-156.5132154.6-97.6-42000107.8
1261G26.4Very low25.8Very low78 Ų78124.1 Ų124.180%0.80475%0.746SS**  trans133.79.4177.400000118.1
1262L23.2Very low26Very low166 Ų166126.3 Ų126.387%0.86975%0.75SS**SBendtrans-67.5144.3156.9-156.986.1000108.5
1263C23.3Very low26.3Very low121 Ų121125.6 Ų125.682%0.81875%0.754SS**  trans55.485.9169.7-66.80000117.2
1264A25.7Very low26.3Very low102 Ų102125.3 Ų125.384%0.84375%0.752SS**  trans-121.5112.7152.300000111.1
1265A26.5Very low26.3Very low85 Ų85128.6 Ų128.670%0.70276%0.761SS**  trans3.6129.5155.800000120G1267A1265-G1267 PolarHBondContact O-N 3.16Å
1266L29.3Very low26.4Very low182 Ų182131.3 Ų131.395%0.95377%0.768SS**  41.130105.9-59.3168.3000119.3G1268L1266-G1268 PolarHBondContact O-N 2.86Å
1267G25.1Very low26.6Very low68 Ų68130.9 Ų130.970%0.70177%0.765SS**  trans-71.69117500000112.9A1265 I1269A1265-G1267 PolarHBondContact O-N 3.16Å; G1267-I1269 PolarHBondContact O-N 3.43Å
1268G25.3Very low26.7Very low80 Ų80132.7 Ų132.783%0.82577%0.772SS**  trans-70.9107.9-179.800000113.6L1266L1266-G1268 PolarHBondContact O-N 2.86Å
1269I27.2Very low26.9Very low134 Ų134137.1 Ų137.169%0.68779%0.788SS**  trans-105.1107.9172.3-58.6-179000109.9G1267G1267-I1269 PolarHBondContact O-N 3.43Å
1270S26.2Very low27.1Very low102 Ų102140 Ų14071%0.71379%0.785SS**  trans-73.6126.4176.3179.80000111.8
1271W28.8Very low27.4Very low221 Ų221141.8 Ų141.884%0.83779%0.788SS**  trans-106.946.8176.5-74.189.3000112.6
1272F27.6Very low27.5Very low187 Ų187143.2 Ų143.282%0.8279%0.786SS**  trans-131.983.2174.6-86.1-73000113
1273Q29.1Very low27.9Very low191 Ų191143.4 Ų143.489%0.89379%0.785SS**  trans-154.7119.6153.4-136.1167.6-9.900111.9
1274P25.8Very low28.2Very low116 Ų116146 Ų14675%0.75378%0.783SS**  trans-83.2143.4173.132.9-32.9000111.9
1275L25.2Very low28.3Very low163 Ų163148 Ų14885%0.85378%0.779SS**  trans10.2119.3154.7-65.6164.9000118.4
1276N28Very low28.4Very low162 Ų162153 Ų15387%0.86679%0.788SS**  -165.4169.7129-109.8-34.1000114.9
1277E30.2Very low28.3Very low143 Ų143149 Ų14967%0.66878%0.776SS**  trans66.599.3179-56.7-160.7-177.300116.5
1278E29.2Very low28.5Very low118 Ų118153.2 Ų153.255%0.55178%0.78SS**  63.592.569.4-70.5-129.59100116.3R1280E1278-R1280 IonicContact OE1-CZ 3.64Å; E1278-R1280 VanDerWaalsContact OE1-CZ 3.29Å; E1278-R1280 IonicContact OE1-NE 3.55Å; E1278-R1280 PolarHBondContact OE1-NE 3.11Å; E1278-R1280 IonicContact OE1-NH2 2.86Å; E1278-R1280 PolarHBondContact OE1-NH2 3.46Å; E1278-R1280 IonicContact OE2-CZ 2.74Å; E1278-R1280 IonicContact OE2-NE 3.04Å; E1278-R1280 IonicContact OE2-NH2 3.29Å; E1278-R1280 PolarHBondContact OE2-NH2 2.9Å
1279K30.6Very low28.6Very low163 Ų163153.9 Ų153.971%0.70977%0.768SS**  -156.486.4129.9-95.7128.8-167.4154.20108.4
1280R31.5Very low28.8Very low192 Ų192154.7 Ų154.773%0.72577%0.772SS**  49.298.989.2-64.9-164.8-172.7-155.93.8113.8E1278E1278-R1280 IonicContact OE1-CZ 3.64Å; E1278-R1280 VanDerWaalsContact OE1-CZ 3.29Å; E1278-R1280 IonicContact OE1-NE 3.55Å; E1278-R1280 PolarHBondContact OE1-NE 3.11Å; E1278-R1280 IonicContact OE1-NH2 2.86Å; E1278-R1280 PolarHBondContact OE1-NH2 3.46Å; E1278-R1280 IonicContact OE2-CZ 2.74Å; E1278-R1280 IonicContact OE2-NE 3.04Å; E1278-R1280 IonicContact OE2-NH2 3.29Å; E1278-R1280 PolarHBondContact OE2-NH2 2.9Å
1281Q31.5Very low28.9Very low203 Ų203157.3 Ų157.395%0.94977%0.771SS**  trans-141.2147.3135.6-108.8166.814.300109.3
1282S28.2Very low28.7Very low109 Ų109156.4 Ų156.476%0.76278%0.775SS**  trans-108.8131.6-156.9560000113.4
1283I31.4Very low28.8Very low169 Ų169151.1 Ų151.187%0.86776%0.761SS**  trans-122128.8148-75.489.7000110.4
1284K30.8Very low28.8Very low176 Ų176151.5 Ų151.577%0.76576%0.76SS**  trans-39.2140.9178.2-60.1160.7-178.41760116.3
1285N26.5Very low28.9Very low143 Ų143154.7 Ų154.777%0.76576%0.763SS**  36.8112.7127.5-47.83.4000118.3
1286H29.9Very low29.1Very low191 Ų191152.9 Ų152.988%0.88475%0.754SS**  -148.7129.4115.4-107.1-74000110.6I1288H1286-I1288 PolarHBondContact O-N 3.42Å
1287S25.6Very low29.3Very low99 Ų99151.5 Ų151.569%0.69275%0.746SS**  trans-84.7108.8178.653.80000110.6V1289S1287-V1289 VanDerWaalsContact C-N 3.31Å; S1287-V1289 PolarHBondContact O-N 3.13Å
1288I30.8Very low29.2Very low155 Ų155152.7 Ų152.780%0.79575%0.752SS**  trans-83.987160.5-61.2-175.6000107.7H1286 I1290H1286-I1288 PolarHBondContact O-N 3.42Å; I1288-I1290 HydrophobicContact CG2-CG1 4.15Å; I1288-I1290 PolarHBondContact O-N 3.4Å
1289V26.8Very low29.3Very low94 Ų94155.4 Ų155.457%0.5777%0.769SS**  trans-77103.1164.5170.30000107.3S1287 K1291S1287-V1289 VanDerWaalsContact C-N 3.31Å; S1287-V1289 PolarHBondContact O-N 3.13Å; V1289-K1291 HydrophobicContact CG1-CB 3.78Å; V1289-K1291 HydrophobicContact CG1-CD 3.9Å; V1289-K1291 HydrophobicContact CG1-CG 3.5Å; V1289-K1291 VanDerWaalsContact CG1-CG 3.5Å; V1289-K1291 PolarHBondContact O-N 3.01Å
1290I30.5Very low29.4Very low152 Ų152152.1 Ų152.178%0.77977%0.767SS**  trans-81.386.9155.3-59.2-174.5000106.3I1288I1288-I1290 HydrophobicContact CG2-CG1 4.15Å; I1288-I1290 PolarHBondContact O-N 3.4Å
1291K29Very low29.2Very low157 Ų157150 Ų15068%0.68377%0.769SS**  trans-66.9131.7172.9-117164.4-177-176.50108.1V1289 S1293V1289-K1291 HydrophobicContact CG1-CB 3.78Å; V1289-K1291 HydrophobicContact CG1-CD 3.9Å; V1289-K1291 HydrophobicContact CG1-CG 3.5Å; V1289-K1291 VanDerWaalsContact CG1-CG 3.5Å; V1289-K1291 PolarHBondContact O-N 3.01Å; K1291-S1293 PolarHBondContact O-N 3.1Å
1292H25.3Very low29.1Very low201 Ų201150 Ų15093%0.93177%0.766SS**  trans-69.374.5147-74.9-98.9000108K1294H1292-K1294 PolarHBondContact O-N 2.68Å
1293S29.2Very low29.2Very low76 Ų76151.2 Ų151.253%0.53176%0.764SS.*  trans-89.599173.949.70000109.5K1291 F1295K1291-S1293 PolarHBondContact O-N 3.1Å; S1293-F1295 PolarHBondContact O-N 3.11Å
1294K28Very low29.1Very low199 Ų199151 Ų15187%0.86576%0.764SS**  trans-53.3127.2144.8-69.9-177.9177.2-178.30107.1H1292H1292-K1294 PolarHBondContact O-N 2.68Å
1295F29.2Very low29Very low183 Ų183148 Ų14880%0.80377%0.766SS**  trans-128.2123.2151.4-113.2-89.8000105.9S1293S1293-F1295 PolarHBondContact O-N 3.11Å
1296N28.9Very low29.4Very low126 Ų126151.3 Ų151.367%0.67477%0.773SS**  trans-64.2150.8155-62.9-15.4000106.7
1297D32.9Very low29.3Very low132 Ų132146.8 Ų146.871%0.70676%0.763SS**  -165.6133.9102.3-88.9-23.2000111.9
1298H27.3Very low29.6Very low168 Ų168150.5 Ų150.578%0.77877%0.767SS**  trans-1.6122.7160.4-56.9-90.6000118.6
1299L32.4Very low29.8Very low175 Ų175149.8 Ų149.892%0.91677%0.765SS**  -155.4146.3120.6-107.8161.6000111.7
1300S31Very low29.9Very low95 Ų95153.1 Ų153.166%0.66477%0.774SS**  trans-91.9150.6-155.353.20000116.3
1301L27.2Very low30Very low147 Ų147152.6 Ų152.677%0.7778%0.778SS**  trans5.3134.8145.7-70.382.8000118.3
1302K31.3Very low29.9Very low202 Ų202151 Ų15188%0.87879%0.786SS**  -167.4153.196.8-104.6172.9-177.2177.30114.3
1303N28.4Very low30.2Very low135 Ų135146.7 Ų146.772%0.72278%0.778SS**  trans-81.4163.3-178.6-49.1-9.6000111.4
1304N31.1Very low30.2Very low165 Ų165150.3 Ų150.388%0.88279%0.791SS**  -176.1143.9108.2-89-16.2000112.1
1305S27.4Very low30.4Very low114 Ų114145.7 Ų145.780%0.79778%0.784SS**  trans-107.1158.8173.250.90000111.3
1306K34.4Very low30.5Very low212 Ų212146.2 Ų146.292%0.92279%0.786SS**  trans-164.4163.3157.2-114.6170.3-176.2-176.70111.1
1307S29.5Very low30.7Very low95 Ų95145.5 Ų145.566%0.66479%0.791SS**  trans-139.7-179.7-154.649.90000113.9
1308F31.3Very low30.6Very low177 Ų177144.6 Ų144.678%0.77679%0.79SS**  trans101.1128.1155.7-72.8-65.4000121.9
1309N33.8Very low30.9Very low140 Ų140146.6 Ų146.675%0.74979%0.792SS**  trans96.5133136.1-69.8-3.7000123.8
1310E30.8Very low30.6Very low164 Ų164143.6 Ų143.677%0.76678%0.782SS**  trans-73168.8-173.6-48.1158.3103.900115
1311T31.5Very low30.6Very low142 Ų142145 Ų14587%0.87179%0.792SS**  -176.6160.3109.223.50000112.5
1312C27.3Very low30.8Very low123 Ų123147.3 Ų147.383%0.83180%0.795SS**  trans-116.2153.7-175.4-57.20000113
1313S32Very low30.7Very low111 Ų111145.4 Ų145.478%0.77679%0.793SS**  trans178.6130.3141.5-86.60000116.3
1314N28Very low30.7Very low151 Ų151143.6 Ų143.681%0.80779%0.791SS**  trans30.7133.9139.2-56.2-51.5000120.7
1315S33.5Very low30.6Very low103 Ų103146.4 Ų146.472%0.7279%0.791SS**  -179145.961.761.90000116.6
1316K31.4Very low30.8Very low194 Ų194146.3 Ų146.384%0.84379%0.79SS**  trans37.4120.2140.2-63.9177.2-179.5177.40119.2
1317S31.6Very low30.4Very low110 Ų110143.1 Ų143.177%0.76978%0.781SS**  135.1168.251.863.80000108.3
1318V32.3Very low30.5Very low114 Ų114144.3 Ų144.369%0.69179%0.787SS**  cis-166.9168.81.1105.40000110.6
1319Y32.2Very low30.4Very low209 Ų209141.7 Ų141.782%0.8279%0.786SS**  trans66.1142.7176.4-72.5-64000117.5
1320T27.4Very low30.1Very low113 Ų113146.2 Ų146.269%0.69379%0.794SS**  cis-166.6136.4-34.913.50000110.5
1321S31.5Very low30.2Very low125 Ų125146.9 Ų146.987%0.87479%0.794SS**  trans-173.9124.5134.9-84.30000109.5
1322K31.3Very low30.3Very low194 Ų194145.8 Ų145.884%0.84378%0.783SS**  trans-102.9126.9-176.6-73-176.6176.8-178.60111.9
1323I28.8Very low30.5Very low163 Ų163146.7 Ų146.784%0.83678%0.778SS**  trans-127.7126.4139.4-62-178.9000106.4
1324S27.5Very low30.5Very low97 Ų97150.4 Ų150.468%0.67878%0.78SS**  trans-150.8124.5178.8-51.70000108.8
1325Y29.7Very low30.6Very low224 Ų224150 Ų15088%0.87878%0.778SS**  trans-122.1112.1165-93.2-84.6000108
1326S30.2Very low30.5Very low111 Ų111152 Ų15278%0.77678%0.781SS**  trans-102.6158-176.647.90000111.7
1327I26.6Very low30.4Very low145 Ų145150 Ų15074%0.74477%0.774SS**  trans-63.8134.8179.2-57.1159.5000110.4T1329I1327-T1329 HydrophobicContact CG2-CG2 4.3Å; I1327-T1329 PolarHBondContact O-N 3.14Å
1328P31.5Very low30.4Very low121 Ų121153.1 Ų153.179%0.78678%0.775SS**  trans-88.777.8169.734.8-32.8000111.4
1329T30.7Very low30.3Very low121 Ų121152.8 Ų152.874%0.74277%0.769SS**  trans-77.8121156.640.50000108.7I1327 K1331I1327-T1329 HydrophobicContact CG2-CG2 4.3Å; I1327-T1329 PolarHBondContact O-N 3.14Å; T1329-K1331 PolarHBondContact O-N 3.31Å
1330Y26.2Very low30.2Very low235 Ų235151.8 Ų151.892%0.92277%0.769SS**  trans-59.5118.4179.6-99.7-101.7000112.4
1331K33.1Very low30.3Very low178 Ų178151.7 Ų151.777%0.77476%0.764SS**  trans-169.5149.9150.3-113178.4-179.5-171.80113.1T1329T1329-K1331 PolarHBondContact O-N 3.31Å
1332D33.8Very low30.3Very low120 Ų120151.9 Ų151.964%0.64276%0.756SS**  trans53.1104.5154.3-46.2-30.6000118.1
1333I30.5Very low30.4Very low142 Ų142150.3 Ų150.373%0.72876%0.755SS**  71.399.670.7-59.6163.9000114.2
1334K32.1Very low30.4Very low189 Ų189148.5 Ų148.582%0.82275%0.747SS**  trans174.5124.7141.6-92.9149.6-171.4176.40107.7
1335N30.1Very low30.6Very low142 Ų142150.2 Ų150.276%0.75975%0.748SS**  71.5132.670.8-8031.8000114.3
1336D32.7Very low30.6Very low146 Ų146145.9 Ų145.978%0.78174%0.739SS**  trans124.181164.2-65.61.2000109.8
1337Q29Very low30.6Very low150 Ų150146 Ų14670%0.70173%0.732SS**  92.915366.1-175.4167.7300112.1
1338F31Very low30.8Very low177 Ų177144.8 Ų144.878%0.77673%0.727SS**  trans81.3137-175.3-58.2-80.1000116.6
1339D29.7Very low31Very low106 Ų106146.4 Ų146.457%0.56772%0.723SS**  cis-170.4-179.9-39.6-115.7-43.7000108.6
1340F31Very low31Very low188 Ų188145 Ų14583%0.82572%0.718SS**  trans74.6141.7172.4-56.7-83.7000117.1
1341N29.2Very low31.2Very low112 Ų112141.5 Ų141.560%0.59972%0.715SS**  cis-169160.8-33.3-128.350.5000108
1342D31.2Very low31.3Very low129 Ų129138.5 Ų138.569%0.6971%0.713SS**  trans65.3147.6167.5-38-28.6000114.4
1343I33.2Very low31Very low161 Ų161136.9 Ų136.983%0.82671%0.711SS**  cis-124142.914.4-66.8170.5000110.9
1344D30.3Very low30.9Very low124 Ų124139 Ų13966%0.66372%0.719SS**  trans-63.6-179.3178.8-50-88.9000116.2
1345N30.7Very low31Very low134 Ų134133.6 Ų133.672%0.71772%0.716SS**  trans87.5133.1156.9-50.3-55.1000116.4
1346L29.6Very low31Very low132 Ų132133.7 Ų133.769%0.69172%0.716SS**  cis-157140.2-0.3-150.376.4000112.9
1347N31.1Very low30.7Very low115 Ų115132.9 Ų132.962%0.61571%0.712SS**  trans57.2122145.9-750000123.5
1348N30.9Very low30.6Very low119 Ų119132.1 Ų132.164%0.63671%0.711SS**  76.5141.1126.3-59.9-6.3000119.7
1349H33.9Very low30.4Very low155 Ų155133.5 Ų133.572%0.71871%0.713SS**  cis-148.9151.16.5-109.5-52.5000112.4
1350S32.1Very low30.1Very low90 Ų90132.7 Ų132.763%0.62972%0.716SS**  trans39.8123.4142.6-50.60000121.1
1351L30.3Very low29.8Very low162 Ų162128.8 Ų128.885%0.84871%0.711SS**  62.9148.269.4-68.8166.6000114.8
1352P34.2Very low29.6Very low115 Ų115132 Ų13275%0.74772%0.722SS**  cis-111.9-179.3-1.117.18.3000112.3
1353S28.7Very low29.2Very low86 Ų86130 Ų13060%0.60172%0.717SS**  cis83.6121.936-139.40000116.9
1354E28.9Very low29Very low188 Ų188128.9 Ų128.988%0.87971%0.713SS**  trans58.6141.9157.5-67.1147.7121.300121.3
1355G33.5Very low28.9Very low74 Ų74130.7 Ų130.776%0.76372%0.719SS**  trans168.7106.8174.300000112.7
1356N29.3Very low28.9Very low145 Ų145129.2 Ų129.278%0.77572%0.715SS**  trans-78171.3-178-62-9.2000113.7
1357D27.7Very low29.1Very low129 Ų129130.5 Ų130.569%0.6972%0.718SS**  trans84.3133.6133.6-78.7-38.4000121.7
1358I26.5Very low29Very low133 Ų133130.1 Ų130.168%0.68272%0.724SS**  trans78.4111.2133.9-72.3170.8000119.8
1359Y26.8Very low29.5Very low206 Ų206128.9 Ų128.981%0.80872%0.723SS**  trans79.5117.3141.1-86.5-125.7000122.1
1360S24Very low29.7Very low90 Ų90128.3 Ų128.363%0.62973%0.725SS**  58132.7124.177.30000122.5
1361C23.6Very low29.8Very low106 Ų106130.4 Ų130.472%0.71673%0.728SS**  trans67.1137.2137-69.60000120.4
1362Q24.6Very low30.1Very low178 Ų178129.7 Ų129.783%0.83272%0.723SS**  trans68.7156.2150.5-69.8172.9-62.500116.5
1363C24.2Very low30.3Very low89 Ų89130.2 Ų130.260%0.60172%0.72SS**  cis-163.8147-30.5-120.80000110
1364N28.6Very low30.7Very low137 Ų137131.5 Ų131.573%0.73372%0.72SS**  trans62.5-178.2150.1-51.3-9.9000117.7
1365M28.4Very low31.1Very low162 Ų162129.2 Ų129.280%0.79871%0.714SS**  trans69.1140.2169.4-36.3-55.1-89.600114.9
1366T30.2Very low31.2Very low103 Ų103130.1 Ų130.163%0.63271%0.708SS**  cis-158.3-174.2-18.623.20000106.2
1367E33.4Very low31.5Very low158 Ų158130.4 Ų130.474%0.73871%0.705SS**  cis-149.5132.24.9-127.2133.614100106.2
1368S29.7Very low31.8Very low108 Ų108130.8 Ų130.876%0.75570%0.703SS**  87.1173.290.5-130.90000113.3
1369P41.5Very low32.1Very low93 Ų93131.9 Ų131.960%0.60471%0.705SS**  -136.1-172.3-110.940.5-19.8000115.5
1370D36.5Very low32.1Very low143 Ų143128 Ų12877%0.76570%0.703SS**  trans-177.6110.7135.7-89.1-19.9000107.9
1371I35Very low32.6Very low134 Ų134130.5 Ų130.569%0.68771%0.714SS**  69.1111.877.1-62.2169.2000110
1372I37.5Very low32.8Very low146 Ų146130.8 Ų130.875%0.74971%0.713SS**  -158.2138.973.5-74.8-179.8000112.4
1373N37.8Very low33.1Very low127 Ų127128.9 Ų128.968%0.67971%0.707SS**  trans28.6154.3147.7-68.135.6000123.6
1374D37.5Very low33.4Very low113 Ų113134.9 Ų134.960%0.60472%0.717SS**  cis-155.6149.65.4-117.8-32.6000111.6
1375N37.2Very low33.4Very low140 Ų140133.2 Ų133.275%0.74972%0.717SS**  trans33.9141.3149.3-50.5-44.6000121.3
1376S36.2Very low33.4Very low93 Ų93132.7 Ų132.765%0.6572%0.716SS**  cis-169178.2-12.969.60000106.2
1377Q35.4Very low33.4Very low150 Ų150135 Ų13570%0.70172%0.72SS**  cis-162.1167.21.1-129.5157.3-52.800105.7
1378E33.4Very low33.1Very low138 Ų138134.6 Ų134.665%0.64572%0.722SS**  cis-144.5-89.56-173.6137.7-109.100112.7
1379Q31.6Very low33.1Very low156 Ų156136.9 Ų136.973%0.72972%0.723SS**  trans-145151.6-165.6-69.1151.237.200110.3
1380T28Very low32.6Very low124 Ų124140.8 Ų140.876%0.76173%0.733SS**  cis83.396.819.3-50.70000116.4
1381V33.9Very low32Very low142 Ų142139.5 Ų139.586%0.86173%0.734SS**  trans-143.4125.6149.4-179.50000109.9
1382T28.8Very low31.8Very low113 Ų113139 Ų13969%0.69374%0.738SS**  trans-107.2167.916050.90000109
1383L29.7Very low31.7Very low138 Ų138138.5 Ų138.572%0.72374%0.736SS**  trans162136133-84.7160.9000114.6
1384R30.9Very low31.2Very low215 Ų215138.3 Ų138.381%0.81174%0.735SS**  trans56.4101.1137.3-72.6-179.2-163.4-1727.6122.8
1385S28.5Very low30.9Very low102 Ų102140 Ų14071%0.71374%0.739SS**  65.4127.3104.275.10000123.3
1386L28.1Very low30.8Very low151 Ų151140.5 Ų140.579%0.79174%0.736SS**  trans82.4156.6135.6-144.766.6000119.5
1387E31.1Very low30.4Very low152 Ų152142 Ų14271%0.7173%0.734SS**  trans66.195164.7-84.3151.1-136.300119.5
1388D27.5Very low30.3Very low148 Ų148142.7 Ų142.779%0.79174%0.738SS**  72166.1120.9-748.2000122.6
1389M29.4Very low30.1Very low157 Ų157142.2 Ų142.277%0.77374%0.74SS**  trans77.996.4166.4-66.6-173.5-75.400120.2
1390Q31Very low30.3Very low174 Ų174141.2 Ų141.281%0.81375%0.745SS**  87.6143.5123.9-65.4171.724.500119.8
1391C23.9Very low30.5Very low116 Ų116141.3 Ų141.378%0.78475%0.745SS**  trans-86.9-166.2174.7-49.80000111.4
1392T30.7Very low30.2Very low125 Ų125141.1 Ų141.177%0.76774%0.738SS**  trans76.9140.8-17282.30000112
1393N34.1Very low30.3Very low134 Ų134142.7 Ų142.772%0.71774%0.743SS**  cis-136.71687.2-87.8-60.3000109.5
1394L28.9Very low30.4Very low123 Ų123141.5 Ų141.564%0.64474%0.741SS**  cis138.1116.5-5.5-171.3142.5000108.3
1395H31.2Very low30.4Very low150 Ų150135.3 Ų135.369%0.69473%0.727SS**  trans62.5134.3167.5-62.6-162000118.1
1396H33.4Very low30.4Very low150 Ų150136 Ų13669%0.69472%0.723SS**  -156.7151.257.1-101.4-102.5000109.2
1397M28.6Very low30.7Very low123 Ų123137.7 Ų137.761%0.60672%0.724SS**  cis81.491.122.4-159.6-153.880.500116.9
1398E33.6Very low30.8Very low166 Ų166137.6 Ų137.678%0.77673%0.727SS**  trans179.8159.1140.3-99.2162.6-156.200107.8
1399N29.6Very low31Very low128 Ų128134.5 Ų134.568%0.68472%0.723SS**  cis165.2104.1-33-103.9-27.9000105.2
1400T34.3Very low31.1Very low135 Ų135137.4 Ų137.483%0.82873%0.726SS**  trans-156.2104.1157.320.50000112.2
1401T32Very low31.1Very low125 Ų125136.8 Ų136.877%0.76772%0.724SS**  trans17121.3138.353.10000118.9
1402L28.2Very low31.5Very low138 Ų138136.8 Ų136.872%0.72371%0.712SS**  cis76.810545-161.7176.3000114
1403N31.3Very low31.7Very low147 Ų147139.9 Ų139.979%0.78672%0.715SS**  trans169.7139.8156.6-90.2-24.7000107.5
1404T32.5Very low31.7Very low113 Ų113142.6 Ų142.669%0.69372%0.715SS**  cis-151.5135.2-3.8-31.10000105.6
1405V30.5Very low31.8Very low84 Ų84144.1 Ų144.151%0.50972%0.724SS.*  cis93.4125.528.41770000114.4
1406D28.7Very low31.7Very low117 Ų117142.4 Ų142.463%0.62673%0.728SS**  trans65.5134.1174-53.8-34.2000117.2R60R60-D1406 IonicContact NH2-OD2 2.77Å
1407K33.6Very low31.6Very low186 Ų186144.2 Ų144.281%0.80974%0.742SS**  cis-142.4133.346.4-74.5172.3-177.2170.90113
1408L33.4Very low31.6Very low150 Ų150143.4 Ų143.479%0.78575%0.749SS**  65.1142.992.5-56.4174.4000115.9
1409A33Very low31.4Very low84 Ų84142.3 Ų142.369%0.69475%0.749SS**  cis-171.1141.8-18.100000112.8
1410Y30Very low31.5Very low217 Ų217141.2 Ų141.285%0.85175%0.748SS**  trans16.3119.4135.3-95.7-102.7000121.8
1411E31.7Very low31.4Very low162 Ų162143.3 Ų143.376%0.75775%0.746SS**  -141.6123.5117.3-73.7-157.4170.700105.3K1413E1411-K1413 IonicContact OE2-NZ 2.69Å
1412E33Very low31.2Very low116 Ų116143 Ų14354%0.54274%0.738SS.*  65.995.554.1-165.7167.9-141.600116.1R1414E1412-R1414 IonicContact OE1-CZ 3.97Å; E1412-R1414 IonicContact OE1-NE 2.91Å; E1412-R1414 PolarHBondContact OE1-NE 2.81Å; E1412-R1414 IonicContact OE1-NH2 3.52Å; E1412-R1414 PolarHBondContact OE1-NH2 3.37Å
1413K33.9Very low31.4Very low189 Ų189141 Ų14182%0.82273%0.732SS**  trans-153.6159.2136-103129.1-163150.80111E1411E1411-K1413 IonicContact OE2-NZ 2.69Å
1414R33.8Very low31.4Very low192 Ų192142.2 Ų142.273%0.72573%0.727SS**  trans-125.6160.2-161.9-58.6-177.7-170.3177.93113.4E1412E1412-R1414 IonicContact OE1-CZ 3.97Å; E1412-R1414 IonicContact OE1-NE 2.91Å; E1412-R1414 PolarHBondContact OE1-NE 2.81Å; E1412-R1414 IonicContact OE1-NH2 3.52Å; E1412-R1414 PolarHBondContact OE1-NH2 3.37Å
1415N31.4Very low31.4Very low154 Ų154145.1 Ų145.182%0.82473%0.732SS**  trans64.2102.9150.5-62.4-3.9000119.5
1416S29.6Very low31.7Very low114 Ų114148 Ų14880%0.79774%0.743SS**  trans-151.1121.6136610000110.8S1418S1416-S1418 PolarHBondContact O-N 2.94Å
1417L30.3Very low31.9Very low188 Ų188146.9 Ų146.998%0.98475%0.745SS**  trans-76.7114.7176.5-128.476.2000110
1418S30.1Very low31.9Very low107 Ų107145.4 Ų145.475%0.74875%0.746SS**  trans-156.7154.6162.375.50000110.9S1416S1416-S1418 PolarHBondContact O-N 2.94Å
1419N27.9Very low32Very low143 Ų143143.8 Ų143.877%0.76574%0.738SS**  trans-43.1142.6-171.6-57.1-25.7000114.8K1421N1419-K1421 VanDerWaalsContact C-N 3.28Å; N1419-K1421 PolarHBondContact O-N 3.25Å
1420P33Very low32.3Very low104 Ų104145.3 Ų145.368%0.67574%0.741SS**  trans-68.485175.130-35.2000110.8I1422P1420-I1422 PolarHBondContact O-N 3.01Å; P1420-I1422 VanDerWaalsContact O-N 3.11Å
1421K30.5Very low32.7Very low180 Ų180142.5 Ų142.578%0.78374%0.74SS**  trans-77.592.3171.7-176.3-174.8179.4-171.60107.5N1419 T1423N1419-K1421 VanDerWaalsContact C-N 3.28Å; N1419-K1421 PolarHBondContact O-N 3.25Å; K1421-T1423 PolarHBondContact O-N 3.47Å; K1421-T1423 PolarHBondContact O-OG1 3.04Å
1422I29.6Very low32.9Very low118 Ų118136.6 Ų136.661%0.60572%0.723SS**  trans-45.2106.4-177.3-58.7173.4000109.5P1420 Y1424P1420-I1422 PolarHBondContact O-N 3.01Å; P1420-I1422 VanDerWaalsContact O-N 3.11Å; I1422-Y1424 HydrophobicContact CG2-CD2 4.44Å; I1422-Y1424 HydrophobicContact CG2-CE2 4.02Å
1423T31.9Very low32.9Very low97 Ų97139.7 Ų139.760%0.59573%0.731SS**  trans-125.5108.9-179.7-58.60000104.4K1421 E1425K1421-T1423 PolarHBondContact O-N 3.47Å; K1421-T1423 PolarHBondContact O-OG1 3.04Å; T1423-E1425 HydrophobicContact CG2-CG 4.41Å; T1423-E1425 PolarHBondContact O-N 3.44Å
1424Y31.5Very low33.4Very low172 Ų172137.1 Ų137.168%0.67573%0.732SS**  trans-72.878.7177.3-70-74.1000109.2I1422 I1426I1422-Y1424 HydrophobicContact CG2-CD2 4.44Å; I1422-Y1424 HydrophobicContact CG2-CE2 4.02Å; Y1424-I1426 PolarHBondContact O-N 2.92Å; Y1424-I1426 VanDerWaalsContact O-N 3.1Å
1425E32.3Very low34.9Very low173 Ų173131.1 Ų131.181%0.80871%0.714SS**  trans-64.5106.3157.3-69.6-170.516700106.8T1423 S1427T1423-E1425 HydrophobicContact CG2-CG 4.41Å; T1423-E1425 PolarHBondContact O-N 3.44Å; E1425-S1427 VanDerWaalsContact C-N 3.29Å; E1425-S1427 PolarHBondContact O-N 3.2Å
1426I36.6Very low37.1Very low144 Ų144129.2 Ų129.274%0.73870%0.702SS**  trans-66.699.9163.1-61.6172.8000104.5Y1424 D1428Y1424-I1426 PolarHBondContact O-N 2.92Å; Y1424-I1426 VanDerWaalsContact O-N 3.1Å; I1426-D1428 PolarHBondContact O-N 3.46Å; I1426-D1428 VanDerWaalsContact O-N 3.07Å
1427S32.5Very low39.1Very low95 Ų95129.7 Ų129.766%0.66469%0.692SS**  trans-63.6110170.256.50000107.5E1425 N1429E1425-S1427 VanDerWaalsContact C-N 3.29Å; E1425-S1427 PolarHBondContact O-N 3.2Å; S1427-N1429 PolarHBondContact O-N 3.44Å
1428D34Very low41.4Very low155 Ų155122 Ų12283%0.82966%0.659SS**  trans-65.180.3177.7-70.1-46000110.2I1426 P1430I1426-D1428 PolarHBondContact O-N 3.46Å; I1426-D1428 VanDerWaalsContact O-N 3.07Å; D1428-P1430 WeakPolarHBondContact O-CD 3.34Å
1429N35.1Very low43.8Very low116 Ų116121.2 Ų121.262%0.6265%0.645SS**  trans-102.9101.1-179.6-165.219.1000107.5S1427 D1431S1427-N1429 PolarHBondContact O-N 3.44Å; N1429-D1431 PolarHBondContact O-N 2.92Å; N1429-D1431 VanDerWaalsContact O-N 3.11Å
1430P39.2Very low46.4Very low115 Ų115118.4 Ų118.475%0.74763%0.626SS**THydrogen-bonded Turntrans-64-25-161.5-25.736.1000115.2D1428D1428-P1430 WeakPolarHBondContact O-CD 3.34Å
1431D37.9Very low48.7Very low158 Ų158119.3 Ų119.385%0.84562%0.616SS**THydrogen-bonded Turntrans-118.140.2-164.5-59.9-67.5000113.3N1429N1429-D1431 PolarHBondContact O-N 2.92Å; N1429-D1431 VanDerWaalsContact O-N 3.11Å
1432G36.7Very low51.3Low39 Ų39119 Ų11940%0.40262%0.615SS.*SBendtrans-15090.4-172.500000118.2T1434G1432-T1434 PolarHBondContact O-N 2.79Å
1433Y34.1Very low54Low181 Ų181119.5 Ų119.571%0.7161%0.613SS**  trans5550.8156.5-83.2-78.7000118.4I992 D1435I992-Y1433 VanDerWaalsContact CD1-OH 3.31Å; I992-Y1433 WeakPolarHBondContact CD1-OH 3.44Å; Y1433-D1435 PolarHBondContact O-N 2.74Å
1434T44.4Very low56.4Low135 Ų135118.5 Ų118.583%0.82860%0.602SS**  trans-75.433.7169.754.80000114.8G1432 I1436G1432-T1434 PolarHBondContact O-N 2.79Å; T1434-I1436 PolarHBondContact O-N 3.49Å
1435D64.7Low58.9Low65 Ų65114 Ų11435%0.34860%0.596SS.*  trans-84.397.5167.8-178.716.1000110.6Y1433 Q1437 G1438 I1439 R1441Y1433-D1435 PolarHBondContact O-N 2.74Å; D1435-Q1437 PolarHBondContact O-N 3.21Å; D1435-Q1437 WeakPolarHBondContact OD1-CA 3.38Å; D1435-Q1437 WeakPolarHBondContact OD1-CB 3.35Å; D1435-Q1437 WeakPolarHBondContact OD1-CG 3.45Å; D1435-Q1437 PolarHBondContact OD1-N 3.08Å; D1435-G1438 WeakPolarHBondContact O-CA 3.49Å; D1435-G1438 PolarHBondContact O-N 3.07Å; D1435-G1438 PolarHBondContact OD1-N 3.44Å; D1435-G1438 PolarHBondContact OD2-N 3.48Å; D1435-I1439 PolarHBondContact O-N 3.48Å; D1435-I1439 VanDerWaalsContact O-N 3.12Å; D1435-R1441 IonicContact OD2-CZ 3.78Å; D1435-R1441 IonicContact OD2-NH2 2.67Å; D1435-R1441 PolarHBondContact OD2-NH2 3.19Å
1436I76.4Confident61.4Low114 Ų114108.2 Ų108.259%0.58558%0.575SS**Hα-helixtrans-56.3-33.1173.5-61.6175.2000111T1434 G1438 I1439 F1440T1434-I1436 PolarHBondContact O-N 3.49Å; I1436-G1438 VanDerWaalsContact C-N 3.35Å; I1436-I1439 PolarHBondContact O-N 3.08Å; I1436-F1440 VanDerWaalsContact O-CB 3.31Å; I1436-F1440 WeakPolarHBondContact O-CB 3.36Å; I1436-F1440 PolarHBondContact O-N 3.44Å
1437Q73.3Confident63.8Low124 Ų124109.2 Ų109.258%0.57957%0.569SS**Hα-helixtrans-69-34174.7-47.5-177.55.400111.8D1435 F1440 R1441D1435-Q1437 PolarHBondContact O-N 3.21Å; D1435-Q1437 WeakPolarHBondContact OD1-CA 3.38Å; D1435-Q1437 WeakPolarHBondContact OD1-CB 3.35Å; D1435-Q1437 WeakPolarHBondContact OD1-CG 3.45Å; D1435-Q1437 PolarHBondContact OD1-N 3.08Å; Q1437-F1440 PolarHBondContact O-N 3.24Å; Q1437-R1441 VanDerWaalsContact CB-NH1 3.32Å; Q1437-R1441 VanDerWaalsContact O-CB 3.28Å; Q1437-R1441 WeakPolarHBondContact O-CB 3.44Å; Q1437-R1441 VanDerWaalsContact O-CG 3.24Å; Q1437-R1441 WeakPolarHBondContact O-CG 3.42Å; Q1437-R1441 PolarHBondContact O-N 2.9Å; Q1437-R1441 PolarHBondContact O-NE 2.83Å
1438G77.5Confident66.3Low28 Ų28108.1 Ų108.129%0.28956%0.555SS.*Hα-helixtrans-63-46.5174.100000111.7D1435 I1436 R1441 K1442D1435-G1438 WeakPolarHBondContact O-CA 3.49Å; D1435-G1438 PolarHBondContact O-N 3.07Å; D1435-G1438 PolarHBondContact OD1-N 3.44Å; D1435-G1438 PolarHBondContact OD2-N 3.48Å; I1436-G1438 VanDerWaalsContact C-N 3.35Å; G1438-R1441 PolarHBondContact O-N 2.87Å; G1438-K1442 WeakPolarHBondContact O-CB 3.39Å; G1438-K1442 PolarHBondContact O-N 2.73Å
1439I80.1Confident68.7Low89 Ų89104 Ų10446%0.45654%0.538SS..Hα-helixtrans-63.5-43.3174-63.1171.2000110.7D1435 I1436 K1442 K1443D1435-I1439 PolarHBondContact O-N 3.48Å; D1435-I1439 VanDerWaalsContact O-N 3.12Å; I1436-I1439 PolarHBondContact O-N 3.08Å; I1439-K1442 PolarHBondContact O-N 2.94Å; I1439-K1443 HydrophobicContact CG2-CD 4.12Å; I1439-K1443 WeakPolarHBondContact O-CB 3.5Å; I1439-K1443 WeakPolarHBondContact O-CG 3.16Å; I1439-K1443 PolarHBondContact O-N 3.42Å
1440F82.3Confident70.9Confident85 Ų85107 Ų10737%0.37354%0.541SS..Hα-helixtrans-63-46.8176.9-177.8-95.8000112I1436 Q1437 K1443 M1444 V1621I1436-F1440 VanDerWaalsContact O-CB 3.31Å; I1436-F1440 WeakPolarHBondContact O-CB 3.36Å; I1436-F1440 PolarHBondContact O-N 3.44Å; Q1437-F1440 PolarHBondContact O-N 3.24Å; F1440-K1443 PolarHBondContact O-N 3.23Å; F1440-M1444 VanDerWaalsContact O-CB 3.27Å; F1440-M1444 WeakPolarHBondContact O-CB 3.4Å; F1440-M1444 PolarHBondContact O-N 3.44Å; F1440-V1621 HydrophobicContact CE2-CG2 4.2Å; F1440-V1621 HydrophobicContact CZ-CG2 4.45Å
1441R82Confident73Confident122 Ų122103.6 Ų103.646%0.4652%0.52SS..Hα-helixtrans-57.9-49.6174.8-76.9-177.3-68.6-101.4-0.7110.8D1435 Q1437 G1438 K1443 M1444 S1445D1435-R1441 IonicContact OD2-CZ 3.78Å; D1435-R1441 IonicContact OD2-NH2 2.67Å; D1435-R1441 PolarHBondContact OD2-NH2 3.19Å; Q1437-R1441 VanDerWaalsContact CB-NH1 3.32Å; Q1437-R1441 VanDerWaalsContact O-CB 3.28Å; Q1437-R1441 WeakPolarHBondContact O-CB 3.44Å; Q1437-R1441 VanDerWaalsContact O-CG 3.24Å; Q1437-R1441 WeakPolarHBondContact O-CG 3.42Å; Q1437-R1441 PolarHBondContact O-N 2.9Å; Q1437-R1441 PolarHBondContact O-NE 2.83Å; G1438-R1441 PolarHBondContact O-N 2.87Å; R1441-K1443 PolarHBondContact O-N 2.87Å; R1441-M1444 PolarHBondContact O-N 3.49Å; R1441-S1445 WeakPolarHBondContact O-CB 3.4Å; R1441-S1445 PolarHBondContact O-N 2.92Å; R1441-S1445 PolarHBondContact O-OG 3.34Å
1442K85.7Confident75.2Confident174 Ų174100.3 Ų100.376%0.75750%0.5SS*.Hα-helixtrans-60.3-42.5178-168.1172.4-176.9176.40112.3G1438 I1439 S1446G1438-K1442 WeakPolarHBondContact O-CB 3.39Å; G1438-K1442 PolarHBondContact O-N 2.73Å; I1439-K1442 PolarHBondContact O-N 2.94Å; K1442-S1446 WeakPolarHBondContact O-CB 3.35Å; K1442-S1446 PolarHBondContact O-N 3.49Å; K1442-S1446 VanDerWaalsContact O-N 3.09Å
1443K86.1Confident77.5Confident129 Ų129101.4 Ų101.456%0.56149%0.494SS*.Hα-helixtrans-66.5-41.2174.9-74.8-178.8178.5-1790112.3I1439 F1440 R1441 S1446 W1447I1439-K1443 HydrophobicContact CG2-CD 4.12Å; I1439-K1443 WeakPolarHBondContact O-CB 3.5Å; I1439-K1443 WeakPolarHBondContact O-CG 3.16Å; I1439-K1443 PolarHBondContact O-N 3.42Å; F1440-K1443 PolarHBondContact O-N 3.23Å; R1441-K1443 PolarHBondContact O-N 2.87Å; K1443-S1446 PolarHBondContact O-N 2.91Å; K1443-W1447 WeakPolarHBondContact O-CB 3.36Å; K1443-W1447 PolarHBondContact O-N 3Å
1444M82.6Confident79.9Confident75 Ų75101.4 Ų101.437%0.36949%0.493SS..Hα-helixtrans-68.8-45179.8-169.263.9178.900111.9F1440 R1441 S1446 W1447 I1448F1440-M1444 VanDerWaalsContact O-CB 3.27Å; F1440-M1444 WeakPolarHBondContact O-CB 3.4Å; F1440-M1444 PolarHBondContact O-N 3.44Å; R1441-M1444 PolarHBondContact O-N 3.49Å; M1444-S1446 VanDerWaalsContact C-N 3.32Å; M1444-S1446 PolarHBondContact O-N 3.4Å; M1444-W1447 HydrophobicContact CE-CE3 3.89Å; M1444-W1447 HydrophobicContact CE-CZ3 3.88Å; M1444-W1447 PolarHBondContact O-N 2.87Å; M1444-W1447 VanDerWaalsContact O-N 3.15Å; M1444-W1447 HydrophobicContact SD-CE3 3.92Å; M1444-W1447 HydrophobicContact SD-CZ3 4.48Å; M1444-I1448 HydrophobicContact CE-CD1 4.32Å; M1444-I1448 HydrophobicContact CE-CG1 4.43Å; M1444-I1448 HydrophobicContact CG-CD1 4.09Å; M1444-I1448 WeakPolarHBondContact O-CG1 3.37Å; M1444-I1448 PolarHBondContact O-N 3.41Å
1445S82.7Confident81.9Confident78 Ų7899.8 Ų99.855%0.54548%0.476SS..Hα-helixtrans-60.8-40.2173.4-62.30000112R1441 I1448 S1449R1441-S1445 WeakPolarHBondContact O-CB 3.4Å; R1441-S1445 PolarHBondContact O-N 2.92Å; R1441-S1445 PolarHBondContact O-OG 3.34Å; S1445-I1448 PolarHBondContact O-N 3.1Å; S1445-S1449 VanDerWaalsContact O-CB 3.31Å; S1445-S1449 WeakPolarHBondContact O-CB 3.42Å; S1445-S1449 PolarHBondContact O-N 3.04Å
1446S85.2Confident83Confident52 Ų52101.6 Ų101.636%0.36448%0.478SS..Hα-helixtrans-64.1-39.2173.6-1710000112.3K1442 K1443 M1444 R1450K1442-S1446 WeakPolarHBondContact O-CB 3.35Å; K1442-S1446 PolarHBondContact O-N 3.49Å; K1442-S1446 VanDerWaalsContact O-N 3.09Å; K1443-S1446 PolarHBondContact O-N 2.91Å; M1444-S1446 VanDerWaalsContact C-N 3.32Å; M1444-S1446 PolarHBondContact O-N 3.4Å; S1446-R1450 WeakPolarHBondContact O-CB 3.45Å; S1446-R1450 VanDerWaalsContact O-CG 3.22Å; S1446-R1450 WeakPolarHBondContact O-CG 3.37Å; S1446-R1450 PolarHBondContact O-N 3.43Å
1447W86.9Confident83.4Confident164 Ų164102.2 Ų102.262%0.62147%0.473SS*.Hα-helixtrans-67.6-42.6176-178.881.4000112.8K1443 M1444 R1450 S1451K1443-W1447 WeakPolarHBondContact O-CB 3.36Å; K1443-W1447 PolarHBondContact O-N 3Å; M1444-W1447 HydrophobicContact CE-CE3 3.89Å; M1444-W1447 HydrophobicContact CE-CZ3 3.88Å; M1444-W1447 PolarHBondContact O-N 2.87Å; M1444-W1447 VanDerWaalsContact O-N 3.15Å; M1444-W1447 HydrophobicContact SD-CE3 3.92Å; M1444-W1447 HydrophobicContact SD-CZ3 4.48Å; W1447-R1450 PolarHBondContact O-N 3.03Å; W1447-S1451 VanDerWaalsContact O-CB 3.32Å; W1447-S1451 WeakPolarHBondContact O-CB 3.32Å; W1447-S1451 PolarHBondContact O-N 2.97Å
1448I85.6Confident84.1Confident72 Ų72100.6 Ų100.637%0.36947%0.468SS..Hα-helixtrans-61-51.9174.7-68.3166.3000110M1444 S1445 R1450 S1451 E1452M1444-I1448 HydrophobicContact CE-CD1 4.32Å; M1444-I1448 HydrophobicContact CE-CG1 4.43Å; M1444-I1448 HydrophobicContact CG-CD1 4.09Å; M1444-I1448 WeakPolarHBondContact O-CG1 3.37Å; M1444-I1448 PolarHBondContact O-N 3.41Å; S1445-I1448 PolarHBondContact O-N 3.1Å; I1448-R1450 VanDerWaalsContact C-N 3.34Å; I1448-R1450 PolarHBondContact O-N 3.24Å; I1448-S1451 CarbonylContact O-C 3.6Å; I1448-S1451 WeakPolarHBondContact O-CA 3.39Å; I1448-S1451 WeakPolarHBondContact O-CB 3.33Å; I1448-S1451 PolarHBondContact O-N 2.77Å; I1448-E1452 HydrophobicContact CG2-CG 4.49Å; I1448-E1452 WeakPolarHBondContact CG2-OE1 3.4Å; I1448-E1452 PolarHBondContact O-N 3.31Å
1449S85.4Confident84.6Confident68 Ų68106 Ų10648%0.47648%0.479SS..Hα-helixtrans-57.8-43178.9179.20000112.6S1445 S1451 E1452 E1453S1445-S1449 VanDerWaalsContact O-CB 3.31Å; S1445-S1449 WeakPolarHBondContact O-CB 3.42Å; S1445-S1449 PolarHBondContact O-N 3.04Å; S1449-S1451 VanDerWaalsContact C-N 3.34Å; S1449-S1451 PolarHBondContact O-N 2.6Å; S1449-E1452 PolarHBondContact O-N 3.45Å; S1449-E1453 WeakPolarHBondContact O-CB 3.28Å; S1449-E1453 PolarHBondContact O-N 2.9Å
1450R81.1Confident84.8Confident180 Ų180108.4 Ų108.468%0.67949%0.487SS*.Hα-helixtrans-66.2-33.1173.7-73.3172176-170.3-0.7112.9S1446 W1447 I1448 R1454S1446-R1450 WeakPolarHBondContact O-CB 3.45Å; S1446-R1450 VanDerWaalsContact O-CG 3.22Å; S1446-R1450 WeakPolarHBondContact O-CG 3.37Å; S1446-R1450 PolarHBondContact O-N 3.43Å; W1447-R1450 PolarHBondContact O-N 3.03Å; I1448-R1450 VanDerWaalsContact C-N 3.34Å; I1448-R1450 PolarHBondContact O-N 3.24Å; R1450-R1454 WeakPolarHBondContact O-CB 3.04Å; R1450-R1454 PolarHBondContact O-N 3.22Å
1451S81.7Confident85Confident43 Ų43106.9 Ų106.930%0.30148%0.482SS..Hα-helixtrans-69.9-45175.7-178.80000111.7W1447 I1448 S1449 R1454 Q1455W1447-S1451 VanDerWaalsContact O-CB 3.32Å; W1447-S1451 WeakPolarHBondContact O-CB 3.32Å; W1447-S1451 PolarHBondContact O-N 2.97Å; I1448-S1451 CarbonylContact O-C 3.6Å; I1448-S1451 WeakPolarHBondContact O-CA 3.39Å; I1448-S1451 WeakPolarHBondContact O-CB 3.33Å; I1448-S1451 PolarHBondContact O-N 2.77Å; S1449-S1451 VanDerWaalsContact C-N 3.34Å; S1449-S1451 PolarHBondContact O-N 2.6Å; S1451-R1454 PolarHBondContact O-N 3.14Å; S1451-Q1455 WeakPolarHBondContact O-CG 3.47Å; S1451-Q1455 PolarHBondContact O-N 2.91Å
1452E84.9Confident85.2Confident90 Ų90105.4 Ų105.442%0.42148%0.482SS..Hα-helixtrans-60.1-45.8173.8-71.9173.5-168.100111.8I1448 S1449 R1454 Q1455 R1456I1448-E1452 HydrophobicContact CG2-CG 4.49Å; I1448-E1452 WeakPolarHBondContact CG2-OE1 3.4Å; I1448-E1452 PolarHBondContact O-N 3.31Å; S1449-E1452 PolarHBondContact O-N 3.45Å; E1452-R1454 VanDerWaalsContact C-N 3.35Å; E1452-R1454 PolarHBondContact O-N 2.99Å; E1452-Q1455 CarbonylContact O-C 3.6Å; E1452-Q1455 WeakPolarHBondContact O-CA 3.48Å; E1452-Q1455 WeakPolarHBondContact O-CB 3.21Å; E1452-Q1455 PolarHBondContact O-N 3.3Å; E1452-R1456 PolarHBondContact O-N 3.04Å; E1452-R1456 IonicContact OE2-NH2 3Å
1453E84.6Confident85.2Confident62 Ų62103.1 Ų103.129%0.2947%0.474SS..Hα-helixtrans-61.7-42.6177.6175.753.9-161.300111.9S1449 Q1455 R1456 R1457S1449-E1453 WeakPolarHBondContact O-CB 3.28Å; S1449-E1453 PolarHBondContact O-N 2.9Å; E1453-Q1455 VanDerWaalsContact C-N 3.27Å; E1453-Q1455 PolarHBondContact O-N 2.94Å; E1453-R1456 WeakPolarHBondContact O-CB 3.19Å; E1453-R1456 PolarHBondContact O-N 3.25Å; E1453-R1456 VanDerWaalsContact O-N 3.16Å; E1453-R1456 IonicContact OE2-CZ 3.22Å; E1453-R1456 IonicContact OE2-NH1 3.2Å; E1453-R1456 PolarHBondContact OE2-NH1 2.92Å; E1453-R1457 PolarHBondContact O-N 3.18Å; E1453-R1457 IonicContact OE1-CZ 2.64Å; E1453-R1457 IonicContact OE1-NE 3.35Å; E1453-R1457 PolarHBondContact OE1-NE 2.8Å; E1453-R1457 IonicContact OE1-NH2 3.28Å; E1453-R1457 PolarHBondContact OE1-NH2 2.84Å
1454R84.4Confident85.3Confident181 Ų181101.2 Ų101.268%0.68347%0.467SS*.Hα-helixtrans-60.1-36.9171.5-174.7176.4-176.7155.17.2112.3R1450 S1451 E1452 L1458R1450-R1454 WeakPolarHBondContact O-CB 3.04Å; R1450-R1454 PolarHBondContact O-N 3.22Å; S1451-R1454 PolarHBondContact O-N 3.14Å; E1452-R1454 VanDerWaalsContact C-N 3.35Å; E1452-R1454 PolarHBondContact O-N 2.99Å; R1454-L1458 HydrophobicContact CG-CD1 4.31Å; R1454-L1458 VanDerWaalsContact O-CG 3.32Å; R1454-L1458 WeakPolarHBondContact O-CG 3.26Å; R1454-L1458 PolarHBondContact O-N 3.41Å
1455Q86.5Confident85.5Confident101 Ų101104.3 Ų104.347%0.47248%0.475SS..Hα-helixtrans-69.6-37.4174.4-69.7179.619.100112.6S1451 E1452 E1453 L1458 R1459S1451-Q1455 WeakPolarHBondContact O-CG 3.47Å; S1451-Q1455 PolarHBondContact O-N 2.91Å; E1452-Q1455 CarbonylContact O-C 3.6Å; E1452-Q1455 WeakPolarHBondContact O-CA 3.48Å; E1452-Q1455 WeakPolarHBondContact O-CB 3.21Å; E1452-Q1455 PolarHBondContact O-N 3.3Å; E1453-Q1455 VanDerWaalsContact C-N 3.27Å; E1453-Q1455 PolarHBondContact O-N 2.94Å; Q1455-L1458 PolarHBondContact O-N 2.93Å; Q1455-R1459 WeakPolarHBondContact O-CG 3.35Å; Q1455-R1459 PolarHBondContact O-N 2.81Å
1456R87.6Confident85.7Confident102 Ų102106.9 Ų106.939%0.38547%0.473SS..Hα-helixtrans-58-51.8172.3-65.6-173-165100.19.3110.6E1452 E1453 L1458 R1459 F1460E1452-R1456 PolarHBondContact O-N 3.04Å; E1452-R1456 IonicContact OE2-NH2 3Å; E1453-R1456 WeakPolarHBondContact O-CB 3.19Å; E1453-R1456 PolarHBondContact O-N 3.25Å; E1453-R1456 VanDerWaalsContact O-N 3.16Å; E1453-R1456 IonicContact OE2-CZ 3.22Å; E1453-R1456 IonicContact OE2-NH1 3.2Å; E1453-R1456 PolarHBondContact OE2-NH1 2.92Å; R1456-L1458 VanDerWaalsContact C-N 3.33Å; R1456-L1458 PolarHBondContact O-N 3.03Å; R1456-R1459 WeakPolarHBondContact O-CB 3.38Å; R1456-R1459 PolarHBondContact O-N 3.39Å; R1456-R1459 VanDerWaalsContact O-N 3.09Å; R1456-F1460 VanDerWaalsContact O-CD2 3.24Å; R1456-F1460 WeakPolarHBondContact O-CD2 3.44Å; R1456-F1460 PolarHBondContact O-N 2.79Å
1457R86Confident85.7Confident128 Ų128110.4 Ų110.448%0.48348%0.479SS..Hα-helixtrans-58.4-42.1178.3-65.2-179.1-167.6-169.51.8112.4E1453 F1460 I1461E1453-R1457 PolarHBondContact O-N 3.18Å; E1453-R1457 IonicContact OE1-CZ 2.64Å; E1453-R1457 IonicContact OE1-NE 3.35Å; E1453-R1457 PolarHBondContact OE1-NE 2.8Å; E1453-R1457 IonicContact OE1-NH2 3.28Å; E1453-R1457 PolarHBondContact OE1-NH2 2.84Å; R1457-F1460 PolarHBondContact O-N 3.12Å; R1457-I1461 WeakPolarHBondContact O-CG1 3.36Å; R1457-I1461 PolarHBondContact O-N 3.38Å
1458L87.4Confident85.7Confident90 Ų90109.8 Ų109.847%0.47148%0.476SS..Hα-helixtrans-63.9-39.3175-74.7169.5000112.7R1454 Q1455 R1456 I1461 I1462R1454-L1458 HydrophobicContact CG-CD1 4.31Å; R1454-L1458 VanDerWaalsContact O-CG 3.32Å; R1454-L1458 WeakPolarHBondContact O-CG 3.26Å; R1454-L1458 PolarHBondContact O-N 3.41Å; Q1455-L1458 PolarHBondContact O-N 2.93Å; R1456-L1458 VanDerWaalsContact C-N 3.33Å; R1456-L1458 PolarHBondContact O-N 3.03Å; L1458-I1461 PolarHBondContact O-N 2.95Å; L1458-I1462 WeakPolarHBondContact O-CD1 3.35Å; L1458-I1462 VanDerWaalsContact O-CG1 3.26Å; L1458-I1462 WeakPolarHBondContact O-CG1 3.42Å; L1458-I1462 PolarHBondContact O-N 3.21Å
1459R87.5Confident85.9Confident141 Ų141112.8 Ų112.853%0.53249%0.487SS..Hα-helixtrans-62.7-45.9173.8-74.1-170.4-68.5-94.26.9111.6Q1455 R1456 I1461 I1462 Q1463Q1455-R1459 WeakPolarHBondContact O-CG 3.35Å; Q1455-R1459 PolarHBondContact O-N 2.81Å; R1456-R1459 WeakPolarHBondContact O-CB 3.38Å; R1456-R1459 PolarHBondContact O-N 3.39Å; R1456-R1459 VanDerWaalsContact O-N 3.09Å; R1459-I1461 PolarHBondContact O-N 3.44Å; R1459-I1462 PolarHBondContact O-N 2.91Å; R1459-Q1463 WeakPolarHBondContact O-CB 3.31Å; R1459-Q1463 PolarHBondContact O-N 2.99Å
1460F85.1Confident85.9Confident139 Ų139113.9 Ų113.961%0.6149%0.485SS*.Hα-helixtrans-58.8-46175.3-75.7-62.5000112.6R1456 R1457 I1462 Q1463 E1464R1456-F1460 VanDerWaalsContact O-CD2 3.24Å; R1456-F1460 WeakPolarHBondContact O-CD2 3.44Å; R1456-F1460 PolarHBondContact O-N 2.79Å; R1457-F1460 PolarHBondContact O-N 3.12Å; F1460-I1462 VanDerWaalsContact C-N 3.3Å; F1460-I1462 PolarHBondContact O-N 3.37Å; F1460-Q1463 PolarHBondContact O-N 3.12Å; F1460-E1464 WeakPolarHBondContact O-CB 3.37Å; F1460-E1464 PolarHBondContact O-N 3.24Å
1461I85.9Confident86.1Confident53 Ų53109.7 Ų109.727%0.27247%0.471SS..Hα-helixtrans-62.6-36.4177.6-67.3165000111.7R1457 L1458 R1459 R1465R1457-I1461 WeakPolarHBondContact O-CG1 3.36Å; R1457-I1461 PolarHBondContact O-N 3.38Å; L1458-I1461 PolarHBondContact O-N 2.95Å; R1459-I1461 PolarHBondContact O-N 3.44Å; I1461-R1465 WeakPolarHBondContact O-CB 3.35Å; I1461-R1465 WeakPolarHBondContact O-CD 3.5Å; I1461-R1465 WeakPolarHBondContact O-CG 3.35Å; I1461-R1465 PolarHBondContact O-N 3.26Å
1462I86.6Confident86.2Confident92 Ų92111.7 Ų111.747%0.47248%0.479SS..Hα-helixtrans-68.4-43.1175.2-69.7164.8000110.8L1458 R1459 F1460 R1465 R1466L1458-I1462 WeakPolarHBondContact O-CD1 3.35Å; L1458-I1462 VanDerWaalsContact O-CG1 3.26Å; L1458-I1462 WeakPolarHBondContact O-CG1 3.42Å; L1458-I1462 PolarHBondContact O-N 3.21Å; R1459-I1462 PolarHBondContact O-N 2.91Å; F1460-I1462 VanDerWaalsContact C-N 3.3Å; F1460-I1462 PolarHBondContact O-N 3.37Å; I1462-R1465 PolarHBondContact O-N 2.96Å; I1462-R1466 WeakPolarHBondContact O-CG 3.44Å; I1462-R1466 PolarHBondContact O-N 2.98Å
1463Q86.6Confident86.2Confident125 Ų125112 Ų11258%0.58448%0.481SS*.Hα-helixtrans-64.5-43178-170.2175.88.700111.8R1459 F1460 R1465 R1466 Y1467R1459-Q1463 WeakPolarHBondContact O-CB 3.31Å; R1459-Q1463 PolarHBondContact O-N 2.99Å; F1460-Q1463 PolarHBondContact O-N 3.12Å; Q1463-R1465 VanDerWaalsContact C-N 3.35Å; Q1463-R1465 PolarHBondContact O-N 2.93Å; Q1463-R1466 WeakPolarHBondContact O-CB 3.38Å; Q1463-R1466 PolarHBondContact O-N 2.85Å; Q1463-Y1467 PolarHBondContact O-N 3.26Å
1464E86.9Confident86.2Confident89 Ų89114.2 Ų114.242%0.41649%0.49SS..Hα-helixtrans-62.9-40.6175.2-161.3-154.2157.600111.6F1460 Y1467 R1468F1460-E1464 WeakPolarHBondContact O-CB 3.37Å; F1460-E1464 PolarHBondContact O-N 3.24Å; E1464-Y1467 PolarHBondContact O-N 2.98Å; E1464-R1468 WeakPolarHBondContact O-CB 3.34Å; E1464-R1468 WeakPolarHBondContact O-CG 3.4Å; E1464-R1468 PolarHBondContact O-N 3.2Å; E1464-R1468 IonicContact OE1-CZ 3.13Å; E1464-R1468 IonicContact OE1-NE 2.67Å; E1464-R1468 PolarHBondContact OE1-NE 2.96Å; E1464-R1468 IonicContact OE1-NH2 3.12Å; E1464-R1468 PolarHBondContact OE1-NH2 3.16Å
1465R87.3Confident86.1Confident141 Ų141112.4 Ų112.453%0.53248%0.483SS..Hα-helixtrans-64.7-38.2174.4-75.2171.9178.7-157.1-2.4112.5I1461 I1462 Q1463 K1469I1461-R1465 WeakPolarHBondContact O-CB 3.35Å; I1461-R1465 WeakPolarHBondContact O-CD 3.5Å; I1461-R1465 WeakPolarHBondContact O-CG 3.35Å; I1461-R1465 PolarHBondContact O-N 3.26Å; I1462-R1465 PolarHBondContact O-N 2.96Å; Q1463-R1465 VanDerWaalsContact C-N 3.35Å; Q1463-R1465 PolarHBondContact O-N 2.93Å; R1465-K1469 WeakPolarHBondContact O-CB 3.5Å; R1465-K1469 PolarHBondContact O-N 3.32Å
1466R86.6Confident85.7Confident132 Ų132109.6 Ų109.650%0.49848%0.477SS..Hα-helixtrans-61.2-51.4171.3-72.6-178-178.2-169.62.8110.5I1462 Q1463 R1468 K1469 E1470I1462-R1466 WeakPolarHBondContact O-CG 3.44Å; I1462-R1466 PolarHBondContact O-N 2.98Å; Q1463-R1466 WeakPolarHBondContact O-CB 3.38Å; Q1463-R1466 PolarHBondContact O-N 2.85Å; R1466-R1468 PolarHBondContact O-N 2.82Å; R1466-K1469 PolarHBondContact O-N 2.93Å; R1466-E1470 PolarHBondContact O-N 3.29Å
1467Y85.2Confident85.2Confident125 Ų125109.2 Ų109.249%0.4948%0.48SS..Hα-helixtrans-59.3-43.9179.2178.6-99.5000113.1Q1463 E1464 E1470 K1471Q1463-Y1467 PolarHBondContact O-N 3.26Å; E1464-Y1467 PolarHBondContact O-N 2.98Å; Y1467-E1470 PolarHBondContact O-N 3.1Å; Y1467-K1471 HydrophobicContact CE1-CD 4.32Å; Y1467-K1471 WeakPolarHBondContact O-CB 3.31Å; Y1467-K1471 PolarHBondContact O-N 2.93Å
1468R86.4Confident84.7Confident151 Ų151108.3 Ų108.357%0.5749%0.488SS*.Hα-helixtrans-62.1-46.6174.4-73.1-179.1-176.1-1167.9111.6E1464 R1466 E1470 K1471 D1472E1464-R1468 WeakPolarHBondContact O-CB 3.34Å; E1464-R1468 WeakPolarHBondContact O-CG 3.4Å; E1464-R1468 PolarHBondContact O-N 3.2Å; E1464-R1468 IonicContact OE1-CZ 3.13Å; E1464-R1468 IonicContact OE1-NE 2.67Å; E1464-R1468 PolarHBondContact OE1-NE 2.96Å; E1464-R1468 IonicContact OE1-NH2 3.12Å; E1464-R1468 PolarHBondContact OE1-NH2 3.16Å; R1466-R1468 PolarHBondContact O-N 2.82Å; R1468-E1470 VanDerWaalsContact C-N 3.34Å; R1468-E1470 PolarHBondContact O-N 3.3Å; R1468-K1471 PolarHBondContact O-N 2.84Å; R1468-D1472 PolarHBondContact O-N 3.05Å
1469K89.7Confident84Confident135 Ų135109.6 Ų109.659%0.58750%0.495SS*.Hα-helixtrans-59.6-43.5177.5-173.5-173.6175.7-168.10111.7R1465 R1466 D1472 M1473R1465-K1469 WeakPolarHBondContact O-CB 3.5Å; R1465-K1469 PolarHBondContact O-N 3.32Å; R1466-K1469 PolarHBondContact O-N 2.93Å; K1469-D1472 PolarHBondContact O-N 3.27Å; K1469-M1473 WeakPolarHBondContact O-CB 3.37Å; K1469-M1473 PolarHBondContact O-N 3.18Å
1470E86.2Confident82.9Confident92 Ų92108 Ų10843%0.4350%0.497SS..Hα-helixtrans-67.5-39.7178.7-165-168.3133.500112.1R1466 Y1467 R1468 D1472 M1473 K1474R1466-E1470 PolarHBondContact O-N 3.29Å; Y1467-E1470 PolarHBondContact O-N 3.1Å; R1468-E1470 VanDerWaalsContact C-N 3.34Å; R1468-E1470 PolarHBondContact O-N 3.3Å; E1470-D1472 VanDerWaalsContact C-N 3.34Å; E1470-D1472 PolarHBondContact O-N 3.21Å; E1470-M1473 PolarHBondContact O-N 2.81Å; E1470-K1474 HydrophobicContact CG-CD 4.37Å; E1470-K1474 WeakPolarHBondContact O-CB 3.45Å; E1470-K1474 WeakPolarHBondContact O-CG 3.43Å; E1470-K1474 PolarHBondContact O-N 3.22Å; E1470-K1474 WeakPolarHBondContact OE1-CE 3.37Å; E1470-K1474 IonicContact OE1-NZ 3.7Å; E1470-K1474 PolarHBondContact OE1-NZ 3.13Å
1471K84.7Confident81.5Confident91 Ų91104.5 Ų104.540%0.39649%0.49SS..Hα-helixtrans-63-39.1174.6-175.4170.3-176.5168.30112.3Y1467 R1468 R1475Y1467-K1471 HydrophobicContact CE1-CD 4.32Å; Y1467-K1471 WeakPolarHBondContact O-CB 3.31Å; Y1467-K1471 PolarHBondContact O-N 2.93Å; R1468-K1471 PolarHBondContact O-N 2.84Å; K1471-R1475 WeakPolarHBondContact O-CD 3.48Å; K1471-R1475 VanDerWaalsContact O-CG 3.3Å; K1471-R1475 WeakPolarHBondContact O-CG 3.42Å; K1471-R1475 PolarHBondContact O-N 3.44Å; K1471-R1475 VanDerWaalsContact O-N 3.13Å
1472D85.3Confident79.9Confident86 Ų86104.8 Ų104.846%0.4650%0.5SS..Hα-helixtrans-76.6-29.9176-69.6-26.8000112.3R1468 K1469 E1470 R1475 A1476R1468-D1472 PolarHBondContact O-N 3.05Å; K1469-D1472 PolarHBondContact O-N 3.27Å; E1470-D1472 VanDerWaalsContact C-N 3.34Å; E1470-D1472 PolarHBondContact O-N 3.21Å; D1472-R1475 PolarHBondContact O-N 3.04Å; D1472-R1475 IonicContact OD1-NH1 3.31Å; D1472-R1475 PolarHBondContact OD1-NH1 3Å; D1472-R1475 VanDerWaalsContact OD1-NH1 3.13Å; D1472-A1476 WeakPolarHBondContact O-CB 3.42Å; D1472-A1476 PolarHBondContact O-N 3.5Å
1473M83.7Confident78.4Confident97 Ų97104.2 Ų104.248%0.47850%0.5SS..Hα-helixtrans-64.4-49.1170.3-166.8174.688.900111.3K1469 E1470 R1475 A1476 E1477K1469-M1473 WeakPolarHBondContact O-CB 3.37Å; K1469-M1473 PolarHBondContact O-N 3.18Å; E1470-M1473 PolarHBondContact O-N 2.81Å; M1473-R1475 VanDerWaalsContact C-N 3.27Å; M1473-R1475 PolarHBondContact O-N 3.34Å; M1473-A1476 CarbonylContact O-C 3.58Å; M1473-A1476 WeakPolarHBondContact O-CA 3.47Å; M1473-A1476 WeakPolarHBondContact O-CB 3.21Å; M1473-A1476 PolarHBondContact O-N 2.78Å; M1473-E1477 WeakPolarHBondContact CE-OE1 3.39Å; M1473-E1477 WeakPolarHBondContact O-CG 3.44Å; M1473-E1477 PolarHBondContact O-N 2.96Å
1474K84.4Confident76.6Confident107 Ų107101.9 Ų101.947%0.46550%0.498SS..Hα-helixtrans-61.5-33.1175.8-74.4171.9172.6172.70112.7E1470 V1478E1470-K1474 HydrophobicContact CG-CD 4.37Å; E1470-K1474 WeakPolarHBondContact O-CB 3.45Å; E1470-K1474 WeakPolarHBondContact O-CG 3.43Å; E1470-K1474 PolarHBondContact O-N 3.22Å; E1470-K1474 WeakPolarHBondContact OE1-CE 3.37Å; E1470-K1474 IonicContact OE1-NZ 3.7Å; E1470-K1474 PolarHBondContact OE1-NZ 3.13Å; K1474-V1478 WeakPolarHBondContact O-CG2 3.26Å; K1474-V1478 PolarHBondContact O-N 3.32Å; K1474-V1478 VanDerWaalsContact O-N 3.17Å
1475R81.7Confident74.6Confident144 Ų144103.4 Ų103.454%0.54351%0.509SS..Hα-helixtrans-66.4-43.5169.4-77.3165.3159.2-175.5-11.5112.4K1471 D1472 M1473 V1478 L1479K1471-R1475 WeakPolarHBondContact O-CD 3.48Å; K1471-R1475 VanDerWaalsContact O-CG 3.3Å; K1471-R1475 WeakPolarHBondContact O-CG 3.42Å; K1471-R1475 PolarHBondContact O-N 3.44Å; K1471-R1475 VanDerWaalsContact O-N 3.13Å; D1472-R1475 PolarHBondContact O-N 3.04Å; D1472-R1475 IonicContact OD1-NH1 3.31Å; D1472-R1475 PolarHBondContact OD1-NH1 3Å; D1472-R1475 VanDerWaalsContact OD1-NH1 3.13Å; M1473-R1475 VanDerWaalsContact C-N 3.27Å; M1473-R1475 PolarHBondContact O-N 3.34Å; R1475-V1478 PolarHBondContact O-N 3.33Å; R1475-L1479 WeakPolarHBondContact O-CG 3.14Å; R1475-L1479 PolarHBondContact O-N 3.13Å; R1475-L1479 VanDerWaalsContact O-N 3.09Å
1476A79.5Confident72.6Confident42 Ų42102.8 Ų102.835%0.34752%0.517SS..Hα-helixtrans-65.4-38.3176.900000112D1472 M1473 L1479 N1480D1472-A1476 WeakPolarHBondContact O-CB 3.42Å; D1472-A1476 PolarHBondContact O-N 3.5Å; M1473-A1476 CarbonylContact O-C 3.58Å; M1473-A1476 WeakPolarHBondContact O-CA 3.47Å; M1473-A1476 WeakPolarHBondContact O-CB 3.21Å; M1473-A1476 PolarHBondContact O-N 2.78Å; A1476-L1479 PolarHBondContact O-N 3.42Å; A1476-N1480 WeakPolarHBondContact O-CB 3.24Å; A1476-N1480 PolarHBondContact O-N 3.41Å; A1476-N1480 PolarHBondContact O-ND2 3.48Å
1477E76.7Confident70.5Confident94 Ų94104.2 Ų104.244%0.43953%0.526SS..Hα-helixtrans-62.7-45.8175-73.5163.8-178.700112.4M1473 L1479 N1480 S1481M1473-E1477 WeakPolarHBondContact CE-OE1 3.39Å; M1473-E1477 WeakPolarHBondContact O-CG 3.44Å; M1473-E1477 PolarHBondContact O-N 2.96Å; E1477-L1479 PolarHBondContact O-N 3.01Å; E1477-N1480 PolarHBondContact O-N 3.38Å; E1477-S1481 WeakPolarHBondContact O-CB 3.38Å; E1477-S1481 PolarHBondContact O-N 2.84Å; E1477-S1481 PolarHBondContact O-OG 3.37Å
1478V76.5Confident68.5Low108 Ų108103.2 Ų103.266%0.65554%0.538SS*.Hα-helixtrans-61.8-43.5175.8169.50000111.4K1474 R1475 A1482K1474-V1478 WeakPolarHBondContact O-CG2 3.26Å; K1474-V1478 PolarHBondContact O-N 3.32Å; K1474-V1478 VanDerWaalsContact O-N 3.17Å; R1475-V1478 PolarHBondContact O-N 3.33Å; V1478-A1482 PolarHBondContact O-N 2.75Å
1479L71.8Confident66.1Low118 Ų118104.2 Ų104.262%0.61855%0.546SS*.Hα-helixtrans-67.4-43.8176.5-70.4169.5000112.1R1475 A1476 E1477 S1481 A1482 V1483R1475-L1479 WeakPolarHBondContact O-CG 3.14Å; R1475-L1479 PolarHBondContact O-N 3.13Å; R1475-L1479 VanDerWaalsContact O-N 3.09Å; A1476-L1479 PolarHBondContact O-N 3.42Å; E1477-L1479 PolarHBondContact O-N 3.01Å; L1479-S1481 VanDerWaalsContact C-N 3.34Å; L1479-S1481 PolarHBondContact O-N 2.9Å; L1479-A1482 WeakPolarHBondContact O-CB 3.21Å; L1479-A1482 PolarHBondContact O-N 2.81Å; L1479-V1483 WeakPolarHBondContact O-CG2 3.38Å; L1479-V1483 PolarHBondContact O-N 2.9Å; L1479-V1483 VanDerWaalsContact O-N 3.14Å
1480N64.4Low63.4Low106 Ų106106 Ų10657%0.56756%0.557SS**Hα-helixtrans-68.8-31.9179.9-72.5-17.3000112.1A1476 E1477 A1482 V1483 S1484A1476-N1480 WeakPolarHBondContact O-CB 3.24Å; A1476-N1480 PolarHBondContact O-N 3.41Å; A1476-N1480 PolarHBondContact O-ND2 3.48Å; E1477-N1480 PolarHBondContact O-N 3.38Å; N1480-A1482 VanDerWaalsContact C-N 3.34Å; N1480-V1483 PolarHBondContact O-N 2.93Å; N1480-S1484 WeakPolarHBondContact O-CB 3.47Å; N1480-S1484 PolarHBondContact O-N 3.43Å
1481S55.3Low60.8Low66 Ų66106.9 Ų106.946%0.46257%0.57SS.*Hα-helixtrans-65.2-38.8173-59.30000111.8E1477 L1479 V1483 N1485E1477-S1481 WeakPolarHBondContact O-CB 3.38Å; E1477-S1481 PolarHBondContact O-N 2.84Å; E1477-S1481 PolarHBondContact O-OG 3.37Å; L1479-S1481 VanDerWaalsContact C-N 3.34Å; L1479-S1481 PolarHBondContact O-N 2.9Å; S1481-V1483 VanDerWaalsContact C-N 3.31Å; S1481-V1483 PolarHBondContact O-N 3.12Å; S1481-N1485 PolarHBondContact O-N 2.85Å
1482A52.7Low58.1Low59 Ų59107.9 Ų107.949%0.48859%0.589SS.*Hα-helixtrans-67.4-28.9174.400000113.1V1478 L1479 N1480 N1486V1478-A1482 PolarHBondContact O-N 2.75Å; L1479-A1482 WeakPolarHBondContact O-CB 3.21Å; L1479-A1482 PolarHBondContact O-N 2.81Å; N1480-A1482 VanDerWaalsContact C-N 3.34Å; A1482-N1486 PolarHBondContact O-ND2 2.93Å
1483V54.2Low55.7Low80 Ų80109.3 Ų109.349%0.48560%0.601SS.*Hα-helixtrans-82.3-47.5175.2177.20000111.6L1479 N1480 S1481 N1485 N1486 F1487L1479-V1483 WeakPolarHBondContact O-CG2 3.38Å; L1479-V1483 PolarHBondContact O-N 2.9Å; L1479-V1483 VanDerWaalsContact O-N 3.14Å; N1480-V1483 PolarHBondContact O-N 2.93Å; S1481-V1483 VanDerWaalsContact C-N 3.31Å; S1481-V1483 PolarHBondContact O-N 3.12Å; V1483-N1485 PolarHBondContact O-N 2.74Å; V1483-N1486 PolarHBondContact O-N 2.91Å; V1483-N1486 VanDerWaalsContact O-N 3.08Å; V1483-F1487 HydrophobicContact CG1-CD2 3.98Å; V1483-F1487 HydrophobicContact CG1-CE2 3.8Å
1484S48.7Very low53.2Low77 Ų77109.2 Ų109.254%0.53861%0.609SS.*Hα-helixtrans-54.9-47.1-177.5-177.50000112.6N1480 N1486 F1487N1480-S1484 WeakPolarHBondContact O-CB 3.47Å; N1480-S1484 PolarHBondContact O-N 3.43Å; S1484-N1486 PolarHBondContact O-N 3.35Å; S1484-F1487 PolarHBondContact O-N 2.92Å; S1484-F1487 VanDerWaalsContact O-N 3.1Å
1485N46.7Very low50.7Low120 Ų120111.3 Ų111.364%0.64262%0.621SS**Hα-helixtrans-66.8-10.8-177.9-71.5-13.2000114.1S1481 V1483S1481-N1485 PolarHBondContact O-N 2.85Å; V1483-N1485 PolarHBondContact O-N 2.74Å
1486N45.5Very low48.4Very low129 Ų129112.5 Ų112.569%0.6964%0.637SS**Hα-helixtrans-97-16.9175.5-74.5-64.3000113.9A1482 V1483 S1484A1482-N1486 PolarHBondContact O-ND2 2.93Å; V1483-N1486 PolarHBondContact O-N 2.91Å; V1483-N1486 VanDerWaalsContact O-N 3.08Å; S1484-N1486 PolarHBondContact O-N 3.35Å
1487F42.2Very low46.3Very low161 Ų161115.9 Ų115.971%0.70665%0.649SS**Hα-helixtrans-89.1-13.2174.6-78.9-78.3000114V1483 S1484 K1489V1483-F1487 HydrophobicContact CG1-CD2 3.98Å; V1483-F1487 HydrophobicContact CG1-CE2 3.8Å; S1484-F1487 PolarHBondContact O-N 2.92Å; S1484-F1487 VanDerWaalsContact O-N 3.1Å; F1487-K1489 PolarHBondContact O-N 3.19Å
1488S41.6Very low44.3Very low105 Ų105121 Ų12173%0.73467%0.673SS**SBendtrans-72.310.8175.6-170.20000114.9
1489K37.7Very low42.2Very low171 Ų171119.6 Ų119.674%0.74367%0.668SS**  trans-13553.6-176.6-68.2-174.1-179.7176.10113.3F1487F1487-K1489 PolarHBondContact O-N 3.19Å
1490Q32.4Very low40.3Very low173 Ų173123.5 Ų123.581%0.80868%0.676SS**  trans-96.8142.8155.1-85-168.3-20.100110.6
1491P31.5Very low39Very low110 Ų110128 Ų12871%0.71469%0.69SS**  trans-64.9151.7179-19.932.6000112.4V1493P1491-V1493 VanDerWaalsContact C-N 3.31Å; P1491-V1493 PolarHBondContact O-N 2.91Å
1492S28.6Very low38Very low113 Ų113131.9 Ų131.979%0.7971%0.706SS**  trans-69.383171.754.50000111.3S1494S1492-S1494 PolarHBondContact O-N 2.94Å
1493V34.4Very low37Very low116 Ų116137.8 Ų137.870%0.70372%0.723SS**  trans-77.767.5170.8-172.10000109.1P1491 H1495P1491-V1493 VanDerWaalsContact C-N 3.31Å; P1491-V1493 PolarHBondContact O-N 2.91Å; V1493-H1495 WeakPolarHBondContact CG1-O 3.4Å; V1493-H1495 PolarHBondContact O-N 3.3Å
1494S30.5Very low36Very low94 Ų94144.7 Ų144.766%0.65775%0.747SS**  trans-88.432.5173.961.20000112.2S1492S1492-S1494 PolarHBondContact O-N 2.94Å
1495H32.4Very low35.2Very low152 Ų152144.2 Ų144.270%0.70476%0.755SS**SBendtrans-149.1134.4176.3-73.2-66.9000108.8V1493V1493-H1495 WeakPolarHBondContact CG1-O 3.4Å; V1493-H1495 PolarHBondContact O-N 3.3Å
1496L33.6Very low34.7Very low169 Ų169146.7 Ų146.789%0.88577%0.768SS**SBendtrans66130.7-160.3-63.173.4000112.3
1497D34.5Very low34.1Very low113 Ų113143.6 Ų143.660%0.60477%0.766SS**  cis-123.2119.2-6.2-177.55.5000110.1S1499D1497-S1499 WeakPolarHBondContact OD1-CB 3.33Å; D1497-S1499 PolarHBondContact OD1-N 2.87Å; D1497-S1499 PolarHBondContact OD1-OG 3.3Å
1498Q34.3Very low33.5Very low202 Ų202143.7 Ų143.794%0.94477%0.772SS**  trans-114.915.8-179.1-139.3167.116.600111.7
1499S32.7Very low33Very low78 Ų78147 Ų14755%0.54578%0.776SS.*SBendtrans-105.1-11.9-166.369.60000116.2D1497D1497-S1499 WeakPolarHBondContact OD1-CB 3.33Å; D1497-S1499 PolarHBondContact OD1-N 2.87Å; D1497-S1499 PolarHBondContact OD1-OG 3.3Å
1500Y33.4Very low32.9Very low200 Ų200143.7 Ų143.778%0.78477%0.774SS**SBendtrans-120.735.1-171.6-85.1-77.1000116.3
1501K36.5Very low32.8Very low200 Ų200142.5 Ų142.587%0.8777%0.773SS**SBendtrans-154.431.7166.7-123163.5-170.2175.30117.7
1502N33.4Very low32.9Very low148 Ų148143.3 Ų143.379%0.79178%0.78SS**SBendtrans-152129.7163.7-88.1-48.7000108.9
1503H32.6Very low32.8Very low183 Ų183144.9 Ų144.985%0.84778%0.78SS**  trans122.454.7174-66-54.8000117.4
1504F32.4Very low32.9Very low224 Ų224144.9 Ų144.998%0.98279%0.785SS**SBendtrans-136.493.3144.9-85.9-74000108.3
1505G32.8Very low32.8Very low68 Ų68152 Ų15270%0.70180%0.798SS**  trans157.947.7-171.100000115.7
1506N35.8Very low32.8Very low172 Ų172150.5 Ų150.592%0.9280%0.804SS**SBendtrans-170.3126.1144.8-105.3-28.5000114.4
1507G32.5Very low32.6Very low63 Ų63147.4 Ų147.465%0.64980%0.795SS**  trans48.389.213900000119.7H1509G1507-H1509 PolarHBondContact O-N 3.36Å; G1507-H1509 VanDerWaalsContact O-N 3.13Å
1508I30.1Very low32.5Very low163 Ų163147.6 Ų147.684%0.83680%0.804SS**  trans-67.7106.5158.8-60.8172.5000108.7
1509H31.6Very low32.6Very low174 Ų174143.4 Ų143.481%0.80680%0.796SS**  trans-129.479.2168.7-89.5-71.8000111G1507G1507-H1509 PolarHBondContact O-N 3.36Å; G1507-H1509 VanDerWaalsContact O-N 3.13Å
1510S35.4Very low32.4Very low102 Ų102144.1 Ų144.171%0.71380%0.8SS**  trans-124.476.7164.862.20000110C1512S1510-C1512 PolarHBondContact O-N 2.79Å; S1510-C1512 VanDerWaalsContact O-N 3.13Å
1511N29.7Very low32.2Very low148 Ų148142.9 Ų142.979%0.79180%0.799SS**  trans-60.1111.4163.2-82.9-1.4000108.7
1512C33Very low31.8Very low127 Ų127139.1 Ų139.186%0.85879%0.788SS**  trans-153.186161.7-97.70000109.3S1510S1510-C1512 PolarHBondContact O-N 2.79Å; S1510-C1512 VanDerWaalsContact O-N 3.13Å
1513D28Very low31.6Very low146 Ų146142.5 Ų142.578%0.78179%0.79SS**  trans-54137.9162.2-67.4-89.1000110.9
1514S34.8Very low31.8Very low117 Ų117138.4 Ų138.482%0.81878%0.78SS**  -176.4102117.9-81.80000112.8
1515R29.5Very low31.6Very low244 Ų244135.5 Ų135.592%0.92177%0.769SS**  trans-30.7130.5159-58.6159.7170.1174.7-5.2114.2
1516S31.8Very low31.3Very low120 Ų120137.6 Ų137.684%0.83977%0.771SS**  trans179.3142.1135.9-173.70000110.6
1517C30.2Very low30.9Very low104 Ų104134.4 Ų134.470%0.70376%0.762SS**  cis-171.5133.6-27.2179.10000107.2
1518C32.5Very low30.7Very low116 Ų116136.3 Ų136.378%0.78476%0.762SS**  trans-172.2133.2136.8-1020000111.9
1519C34.9Very low30.5Very low114 Ų114135.8 Ų135.877%0.7776%0.76SS**SBendtrans62.8108.5152.1-57.50000119.5
1520C30.5Very low30.2Very low93 Ų93135.9 Ų135.963%0.62876%0.761SS**  cis-176.8156.4-37.5-107.20000110.6
1521F28.5Very low29.8Very low174 Ų174135.7 Ų135.776%0.76376%0.759SS**  trans53119.2148.7-64.8-56.9000121.9
1522D28.4Very low30Very low121 Ų121134.8 Ų134.865%0.64776%0.759SS**  92.5101.3123.8-734.3000121.9
1523R28.6Very low29.9Very low220 Ų220134.3 Ų134.383%0.8375%0.754SS**  110153.5111.7-85.5178.2153.2179.4-6.6117.3
1524P37.2Very low29.9Very low97 Ų97133.1 Ų133.163%0.6375%0.752SS**  trans-105.2-149.6-162.643.9-36.1000111.1
1525H28Very low29.6Very low162 Ų162133.5 Ų133.575%0.7575%0.745SS**  trans99.1141.1169.4-53.7-72.4000116.1
1526C26.5Very low29.7Very low112 Ų112131.6 Ų131.676%0.75774%0.738SS**  trans66.3127.5169.7-62.70000116.2
1527S27.3Very low30Very low105 Ų105132.5 Ų132.573%0.73473%0.733SS**  cis71.9152.140.5-51.50000113.4
1528T27.4Very low30.4Very low104 Ų104134.7 Ų134.764%0.63874%0.738SS**  trans76.8120168.9-37.70000109.2
1529L26.8Very low30.7Very low152 Ų152133.5 Ų133.580%0.79673%0.731SS**  51.9146.670.7-65160.1000111.6
1530E25.7Very low30.9Very low176 Ų176134.4 Ų134.482%0.82273%0.728SS**  trans63.7145.5169.9-62.7164.5-169.800115
1531S26.6Very low31.2Very low98 Ų98136.4 Ų136.469%0.68573%0.732SS**  cis-166-178.6-13.351.30000107.3P1533S1531-P1533 WeakPolarHBondContact O-CD 3.47Å
1532V32.9Very low31.4Very low129 Ų129132.4 Ų132.478%0.78273%0.725SS**  trans-80.1126.3167173.10000109.8T1534V1532-T1534 HydrophobicContact CG1-CG2 4.28Å
1533P30.9Very low31.6Very low117 Ų117134.4 Ų134.476%0.7673%0.729SS**  trans-118.1109.4149.334.9-28.3000111.9S1531S1531-P1533 WeakPolarHBondContact O-CD 3.47Å
1534T28.3Very low31.8Very low120 Ų120130.9 Ų130.974%0.73672%0.719SS**  trans-52.6138.4166.250.80000113.7V1532V1532-T1534 HydrophobicContact CG1-CG2 4.28Å
1535N29.4Very low31.5Very low126 Ų126133.6 Ų133.667%0.67473%0.725SS**  trans-153.6108139.8-137.5-5.5000113.4
1536R31.9Very low31.7Very low204 Ų204129.9 Ų129.977%0.7772%0.723SS**  trans35.1132.8136-59.4-179.9-176.5102.8-9.1119.1
1537N37.8Very low31.8Very low139 Ų139132.1 Ų132.174%0.74373%0.727SS**  cis-140.2149.636-74.1-67.1000114.5
1538N38.3Very low32Very low150 Ų150132.5 Ų132.580%0.80273%0.73SS**  trans38.1133.7151.1-66.5-7.8000122.1
1539S38Very low32Very low90 Ų90133.4 Ų133.463%0.62973%0.731SS**  cis-170.2156.9-6.349.20000113.3
1540N40.3Very low32.2Very low133 Ų133134.2 Ų134.271%0.71173%0.728SS**  trans81.190.4154.1-60.7-16000120
1541N37.5Very low32.6Very low135 Ų135130.3 Ų130.372%0.72273%0.726SS**  trans80.5116.5132.6-59.7-17.3000118.6
1542C32.5Very low32.9Very low90 Ų90130.7 Ų130.761%0.60873%0.726SS**  73.2139.660.2-67.20000112
1543F32.4Very low32.8Very low164 Ų164133.6 Ų133.672%0.71973%0.728SS**  cis-169.1168.58.1-112.6-22.9000106.9
1544K33.2Very low32.8Very low146 Ų146138.9 Ų138.964%0.63573%0.733SS**  cis-162.9156.8-9.1-153.9166-173.21720109.6
1545M31.2Very low33Very low153 Ų153139.1 Ų139.175%0.75473%0.73SS**  trans7.8133.2154.1-61156.665.300121.7
1546A31.5Very low33.1Very low85 Ų85141.2 Ų141.270%0.70273%0.733SS**  27.3142.9125.800000122.1
1547N28.9Very low33.3Very low159 Ų159137.9 Ų137.985%0.8573%0.729SS**  -165.7155.3111.1-96.5-24.5000112.8
1548S31.3Very low33Very low113 Ų113140.1 Ų140.179%0.7973%0.732SS**  trans-77.5123.8167.753.70000110.5
1549D27.8Very low33.1Very low122 Ų122140.4 Ų140.465%0.65273%0.734SS**  trans-159.7143.7163.1-133.2-7.1000114.1
1550K29.9Very low33.4Very low169 Ų169141.9 Ų141.974%0.73574%0.741SS**  trans35.8117.9152.1-65.6157.9-173.686.90119.7
1551A35.3Very low33.2Very low94 Ų94139.8 Ų139.878%0.77774%0.737SS**  trans-56.1156.5145.300000110.3
1552P32.9Very low33.3Very low107 Ų107144.6 Ų144.670%0.69575%0.745SS**  cis-147.8-16630.444-23.6000116.6
1553K28.8Very low33.5Very low189 Ų189148.7 Ų148.782%0.82275%0.752SS**  trans70.2111.2156.2-69.5170.8-176.4172.40119.7
1554R31.2Very low33.7Very low228 Ų228145.5 Ų145.586%0.8675%0.75SS**  56.2148.1126.4-92-178175.7160-0.6121.2
1555N33.6Very low33.9Very low125 Ų125146.3 Ų146.367%0.66876%0.756SS**  trans80.8141.4165.4-53.3-16.1000115.3
1556F31.8Very low34.1Very low171 Ų171145.8 Ų145.875%0.7576%0.761SS**  cis-162155.5-10-113.2-42.7000110.5
1557I34.8Very low34.3Very low133 Ų133144.5 Ų144.568%0.68276%0.756SS**  trans70.197.3149.3-65.6166.8000118.2
1558K33.1Very low34.5Very low187 Ų187144.3 Ų144.381%0.81375%0.754SS**  83.812099.4-70.9-179.2-171.7175.80118.1
1559N38.6Very low34.8Very low156 Ų156151 Ų15183%0.83476%0.762SS**  trans35.7134.5146.2-69.91.2000120.8
1560P44.5Very low35.2Very low120 Ų120154.3 Ų154.378%0.77977%0.766SS**  -156.5159.766.241.6-21.7000120.9
1561S36.9Very low35.3Very low89 Ų89154.7 Ų154.762%0.62277%0.771SS**  trans-7.6141.3143.7150.50000121.1
1562R39.1Very low35.3Very low236 Ų236159.8 Ų159.889%0.89177%0.77SS**  trans-158.6138.9140.1-100.4150.4-156.1-139.24.6108
1563K37.5Very low35.4Very low177 Ų177164.2 Ų164.277%0.7778%0.778SS**  cis64.7129.130.1-62.2-169.9178.4-175.30113.7
1564S36Very low35.9Very low96 Ų96164.2 Ų164.267%0.67178%0.781SS**  cis-166.8-163.3-5.637.10000107.1
1565Q37.8Very low36.1Very low164 Ų164157.5 Ų157.577%0.76677%0.769SS**  cis-171.4178.219.9-160.2159.1-91.800111.2
1566V35.9Very low36.3Very low141 Ų141156.5 Ų156.586%0.85576%0.762SS**  trans82.4136.6164.2-166.40000117.1
1567G34Very low36.5Very low58 Ų58156.5 Ų156.560%0.59877%0.765SS**  trans136.290.316400000116.3
1568I34.1Very low36.6Very low156 Ų156160.2 Ų160.280%0.878%0.776SS**  trans31.1100.4150.3-46174.7000117.3Y1570I1568-Y1570 HydrophobicContact CG2-CD2 4.41Å
1569R36.7Very low36.8Very low252 Ų252159.4 Ų159.495%0.95178%0.775SS**  trans-136.881.5156.5-73.6-166178.6-167.4-0.6111.1
1570Y35.8Very low36.5Very low193 Ų193161.5 Ų161.576%0.75777%0.773SS**  trans-72.9134.7175.2-97-92.4000112.4I1568 R1572I1568-Y1570 HydrophobicContact CG2-CD2 4.41Å; Y1570-R1572 PolarHBondContact O-N 3.44Å
1571E33.3Very low36.2Very low177 Ų177167 Ų16783%0.82778%0.778SS**  trans27.174.3137.6-57.4-174131.200119
1572R34.1Very low36.3Very low201 Ų201166.4 Ų166.476%0.75877%0.772SS**  trans-133.564.8156.3-165.5178.5-76.2-172.9-3.4111.5Y1570Y1570-R1572 PolarHBondContact O-N 3.44Å
1573K36Very low36.4Very low200 Ų200165.9 Ų165.987%0.8777%0.77SS**SBendtrans-131.710.3-179.7-81.6-165.2172.4-173.90116.4
1574Q39.5Very low36.8Very low189 Ų189163.2 Ų163.288%0.88376%0.764SS**SBendtrans-126.22.3174.4-66.1-168.17.500115
1575S34.5Very low37Very low86 Ų86162.4 Ų162.460%0.60176%0.758SS**  trans-104.4-5.3-179.949.30000115.3Q1577S1575-Q1577 PolarHBondContact O-N 2.84Å
1576I37.9Very low37.8Very low104 Ų104160.6 Ų160.653%0.53375%0.749SS.*THydrogen-bonded Turntrans-82.457.7178.3-44179.3000110.4
1577Q37.2Very low39.2Very low172 Ų172158.4 Ų158.480%0.80473%0.733SS**THydrogen-bonded Turntrans-122.6-0.5176.7-88.3-168.7-9.900114.3S1575S1575-Q1577 PolarHBondContact O-N 2.84Å
1578K35.9Very low41.1Very low210 Ų210159.3 Ų159.391%0.91373%0.73SS**SBendtrans-102.5-3.5175.2-80.5-170.1172.8-177.10115.7
1579E37.4Very low43.1Very low171 Ų171156.6 Ų156.680%0.79972%0.716SS**SBendtrans-108.22.3-178.4-155.6160.1-144.300113.8R1581E1579-R1581 VanDerWaalsContact C-N 3.26Å; E1579-R1581 PolarHBondContact O-N 3.43Å; E1579-R1581 VanDerWaalsContact O-N 3.15Å
1580Y33.5Very low45.1Very low199 Ų199148.9 Ų148.978%0.7869%0.691SS**  trans-85.952.7171.5-89.3-89.8000112.5
1581R37.5Very low47.3Very low237 Ų237144.2 Ų144.289%0.89468%0.679SS**  trans-80.8129.2156.8-99.3-173.1173.5-177.1-0.9108.2E1579E1579-R1581 VanDerWaalsContact C-N 3.26Å; E1579-R1581 PolarHBondContact O-N 3.43Å; E1579-R1581 VanDerWaalsContact O-N 3.15Å
1582P38.9Very low49.7Very low76 Ų76141.1 Ų141.149%0.49467%0.665SS.*  trans-89.1153.3-144.8-1331.7000113.5L1584P1582-L1584 HydrophobicContact CB-CB 4.13Å; P1582-L1584 HydrophobicContact CB-CD1 3.88Å; P1582-L1584 HydrophobicContact CB-CG 3.9Å; P1582-L1584 HydrophobicContact CG-CD1 4.21Å; P1582-L1584 PolarHBondContact O-N 3.1Å
1583R41.8Very low52.2Low224 Ų224134 Ų13485%0.84564%0.643SS**THydrogen-bonded Turntrans-61.16.6167.3-65179175.4173.6-3.4114.3S1585 H1586 N1587R1583-S1585 VanDerWaalsContact C-N 3.34Å; R1583-S1585 PolarHBondContact O-N 3.16Å; R1583-H1586 PolarHBondContact O-N 2.8Å; R1583-N1587 PolarHBondContact O-N 3.07Å
1584L44.1Very low54.6Low121 Ų121127.7 Ų127.763%0.63462%0.619SS**Hα-helixtrans-64.9-31.8175.5-71.9170.1000112.9P1582 N1587 S1588P1582-L1584 HydrophobicContact CB-CB 4.13Å; P1582-L1584 HydrophobicContact CB-CD1 3.88Å; P1582-L1584 HydrophobicContact CB-CG 3.9Å; P1582-L1584 HydrophobicContact CG-CD1 4.21Å; P1582-L1584 PolarHBondContact O-N 3.1Å; L1584-N1587 PolarHBondContact O-N 3.29Å; L1584-S1588 WeakPolarHBondContact O-CB 3.37Å; L1584-S1588 PolarHBondContact O-N 3.38Å
1585S41.9Very low56.8Low80 Ų80124.3 Ų124.356%0.55960%0.603SS**Hα-helixtrans-62.2-45.5175.253.70000111.6R1583 N1587 S1588 I1589R1583-S1585 VanDerWaalsContact C-N 3.34Å; R1583-S1585 PolarHBondContact O-N 3.16Å; S1585-N1587 VanDerWaalsContact C-N 3.34Å; S1585-N1587 PolarHBondContact O-N 2.77Å; S1585-S1588 WeakPolarHBondContact O-CB 3.15Å; S1585-S1588 PolarHBondContact O-N 2.99Å; S1585-S1588 VanDerWaalsContact O-N 3.12Å; S1585-I1589 WeakPolarHBondContact O-CG1 3.46Å; S1585-I1589 PolarHBondContact O-N 3.35Å
1586H52.9Low59.3Low126 Ų126125.6 Ų125.658%0.58360%0.6SS**Hα-helixtrans-66.2-36.1178.7-151.4-45.5000112.1R1583 Q1590R1583-H1586 PolarHBondContact O-N 2.8Å; H1586-Q1590 VanDerWaalsContact O-CB 3.31Å; H1586-Q1590 WeakPolarHBondContact O-CB 3.37Å; H1586-Q1590 PolarHBondContact O-N 3.38Å
1587N67.3Low61.7Low95 Ų95125.7 Ų125.751%0.50860%0.596SS.*Hα-helixtrans-67.5-35.8171-75.7-3000112.4R1583 L1584 S1585 N1591R1583-N1587 PolarHBondContact O-N 3.07Å; L1584-N1587 PolarHBondContact O-N 3.29Å; S1585-N1587 VanDerWaalsContact C-N 3.34Å; S1585-N1587 PolarHBondContact O-N 2.77Å; N1587-N1591 VanDerWaalsContact O-CB 3.26Å; N1587-N1591 WeakPolarHBondContact O-CB 3.34Å; N1587-N1591 PolarHBondContact O-N 2.97Å; N1587-N1591 PolarHBondContact O-ND2 2.65Å
1588S71.9Confident64.1Low76 Ų76123.1 Ų123.153%0.53159%0.587SS.*Hα-helixtrans-64.9-46.8176-166.60000111.3L1584 S1585 N1591 Q1592L1584-S1588 WeakPolarHBondContact O-CB 3.37Å; L1584-S1588 PolarHBondContact O-N 3.38Å; S1585-S1588 WeakPolarHBondContact O-CB 3.15Å; S1585-S1588 PolarHBondContact O-N 2.99Å; S1585-S1588 VanDerWaalsContact O-N 3.12Å; S1588-N1591 PolarHBondContact O-N 2.9Å; S1588-Q1592 WeakPolarHBondContact O-CB 3.23Å; S1588-Q1592 PolarHBondContact O-N 3.42Å
1589I77Confident66.6Low99 Ų99119.8 Ų119.851%0.50857%0.572SS.*Hα-helixtrans-62.9-46.7176.2-65166000110.1S1585 N1591 Q1592 V1593S1585-I1589 WeakPolarHBondContact O-CG1 3.46Å; S1585-I1589 PolarHBondContact O-N 3.35Å; I1589-N1591 VanDerWaalsContact C-N 3.32Å; I1589-N1591 PolarHBondContact O-N 3.07Å; I1589-Q1592 PolarHBondContact O-N 2.98Å; I1589-Q1592 VanDerWaalsContact O-N 3.14Å; I1589-V1593 HydrophobicContact CG2-CG2 4.46Å; I1589-V1593 WeakPolarHBondContact O-CG2 3.42Å; I1589-V1593 PolarHBondContact O-N 3.49Å
1590Q78.1Confident69.1Low90 Ų90116.1 Ų116.142%0.42156%0.558SS.*Hα-helixtrans-62.4-39178.4-165.865.926.300112H1586 V1593 N1594H1586-Q1590 VanDerWaalsContact O-CB 3.31Å; H1586-Q1590 WeakPolarHBondContact O-CB 3.37Å; H1586-Q1590 PolarHBondContact O-N 3.38Å; Q1590-V1593 PolarHBondContact O-N 2.97Å; Q1590-N1594 VanDerWaalsContact O-CB 3.3Å; Q1590-N1594 WeakPolarHBondContact O-CB 3.26Å; Q1590-N1594 PolarHBondContact O-N 3.47Å; Q1590-N1594 PolarHBondContact O-ND2 2.78Å; Q1590-N1594 PolarHBondContact O-OD1 3.49Å
1591N83.3Confident71.6Confident96 Ų96109 Ų10951%0.51354%0.54SS..Hα-helixtrans-66-38.2174.3-77.9-22.6000112.2N1587 S1588 I1589 N1594 Q1595N1587-N1591 VanDerWaalsContact O-CB 3.26Å; N1587-N1591 WeakPolarHBondContact O-CB 3.34Å; N1587-N1591 PolarHBondContact O-N 2.97Å; N1587-N1591 PolarHBondContact O-ND2 2.65Å; S1588-N1591 PolarHBondContact O-N 2.9Å; I1589-N1591 VanDerWaalsContact C-N 3.32Å; I1589-N1591 PolarHBondContact O-N 3.07Å; N1591-N1594 PolarHBondContact O-N 3.33Å; N1591-Q1595 WeakPolarHBondContact O-CB 3.32Å; N1591-Q1595 VanDerWaalsContact O-CG 3.32Å; N1591-Q1595 WeakPolarHBondContact O-CG 3.4Å; N1591-Q1595 PolarHBondContact O-N 2.77Å
1592Q83.5Confident74Confident112 Ų112102.5 Ų102.552%0.52352%0.52SS..Hα-helixtrans-66-43.8175.6-169.4174.89.200111.5S1588 I1589 Q1595 Q1596S1588-Q1592 WeakPolarHBondContact O-CB 3.23Å; S1588-Q1592 PolarHBondContact O-N 3.42Å; I1589-Q1592 PolarHBondContact O-N 2.98Å; I1589-Q1592 VanDerWaalsContact O-N 3.14Å; Q1592-Q1595 PolarHBondContact O-N 2.9Å; Q1592-Q1596 WeakPolarHBondContact O-CG 3.34Å; Q1592-Q1596 PolarHBondContact O-N 3.33Å
1593V86.4Confident76.5Confident51 Ų51104.1 Ų104.131%0.30952%0.524SS..Hα-helixtrans-62.1-43.9173.2171.30000111.1I1589 Q1590 Q1595 Q1596 K1597I1589-V1593 HydrophobicContact CG2-CG2 4.46Å; I1589-V1593 WeakPolarHBondContact O-CG2 3.42Å; I1589-V1593 PolarHBondContact O-N 3.49Å; Q1590-V1593 PolarHBondContact O-N 2.97Å; V1593-Q1595 PolarHBondContact O-N 3.36Å; V1593-Q1596 PolarHBondContact O-N 2.97Å; V1593-K1597 WeakPolarHBondContact O-CG 3.34Å; V1593-K1597 PolarHBondContact O-N 2.89Å
1594N85.3Confident78.6Confident68 Ų68100 Ų10036%0.36451%0.508SS..Hα-helixtrans-62.6-42.4176.3-72.2-14000111.6Q1590 N1591 Q1596 K1597 I1598Q1590-N1594 VanDerWaalsContact O-CB 3.3Å; Q1590-N1594 WeakPolarHBondContact O-CB 3.26Å; Q1590-N1594 PolarHBondContact O-N 3.47Å; Q1590-N1594 PolarHBondContact O-ND2 2.78Å; Q1590-N1594 PolarHBondContact O-OD1 3.49Å; N1591-N1594 PolarHBondContact O-N 3.33Å; N1594-Q1596 VanDerWaalsContact C-N 3.35Å; N1594-Q1596 PolarHBondContact O-N 3.06Å; N1594-K1597 PolarHBondContact O-N 3.05Å; N1594-I1598 VanDerWaalsContact O-CG1 3.28Å; N1594-I1598 WeakPolarHBondContact O-CG1 3.23Å; N1594-I1598 PolarHBondContact O-N 2.95Å
1595Q85.9Confident80.7Confident117 Ų11797.3 Ų97.355%0.54750%0.497SS..Hα-helixtrans-63.3-38173.7-75.2-179.315.800112.4N1591 Q1592 V1593 K1599N1591-Q1595 WeakPolarHBondContact O-CB 3.32Å; N1591-Q1595 VanDerWaalsContact O-CG 3.32Å; N1591-Q1595 WeakPolarHBondContact O-CG 3.4Å; N1591-Q1595 PolarHBondContact O-N 2.77Å; Q1592-Q1595 PolarHBondContact O-N 2.9Å; V1593-Q1595 PolarHBondContact O-N 3.36Å; Q1595-K1599 WeakPolarHBondContact O-CB 3.44Å; Q1595-K1599 WeakPolarHBondContact O-CG 3.33Å; Q1595-K1599 PolarHBondContact O-N 2.91Å
1596Q88.2Confident82.9Confident113 Ų11396.5 Ų96.553%0.52849%0.486SS..Hα-helixtrans-65.7-44.3173.7-75.2174.4-17.500111.7Q1592 V1593 N1594 I1598 K1599 L1600Q1592-Q1596 WeakPolarHBondContact O-CG 3.34Å; Q1592-Q1596 PolarHBondContact O-N 3.33Å; V1593-Q1596 PolarHBondContact O-N 2.97Å; N1594-Q1596 VanDerWaalsContact C-N 3.35Å; N1594-Q1596 PolarHBondContact O-N 3.06Å; Q1596-I1598 PolarHBondContact O-N 2.88Å; Q1596-K1599 PolarHBondContact O-N 3.32Å; Q1596-L1600 WeakPolarHBondContact O-CB 3.36Å; Q1596-L1600 PolarHBondContact O-N 3.35Å
1597K88.1Confident84.5Confident107 Ų10799.2 Ų99.247%0.46549%0.491SS..Hα-helixtrans-60.3-41.9174.5-73-166.5173.5-158.90111.9N622 V1593 N1594 L1600 A1601N622-K1597 WeakPolarHBondContact OD1-CE 3.37Å; N622-K1597 PolarHBondContact OD1-NZ 3.48Å; V1593-K1597 WeakPolarHBondContact O-CG 3.34Å; V1593-K1597 PolarHBondContact O-N 2.89Å; N1594-K1597 PolarHBondContact O-N 3.05Å; K1597-L1600 PolarHBondContact O-N 3.38Å; K1597-A1601 WeakPolarHBondContact O-CB 3.25Å; K1597-A1601 PolarHBondContact O-N 2.8Å
1598I87.7Confident85.5Confident118 Ų11899.7 Ų99.761%0.60549%0.493SS*.Hα-helixtrans-63.4-46.2174.6-68.8163.9000111.4N1594 Q1596 L1600 A1601 Q1602N1594-I1598 VanDerWaalsContact O-CG1 3.28Å; N1594-I1598 WeakPolarHBondContact O-CG1 3.23Å; N1594-I1598 PolarHBondContact O-N 2.95Å; Q1596-I1598 PolarHBondContact O-N 2.88Å; I1598-L1600 VanDerWaalsContact C-N 3.35Å; I1598-L1600 PolarHBondContact O-N 2.93Å; I1598-A1601 PolarHBondContact O-N 3.4Å; I1598-Q1602 PolarHBondContact O-N 2.74Å
1599K88.9Confident86.1Confident139 Ų139102.7 Ų102.760%0.60449%0.493SS*.Hα-helixtrans-61.3-41.5176.1-75.1175.2179.3-178.60111.9Q1595 Q1596 Q1602 L1603Q1595-K1599 WeakPolarHBondContact O-CB 3.44Å; Q1595-K1599 WeakPolarHBondContact O-CG 3.33Å; Q1595-K1599 PolarHBondContact O-N 2.91Å; Q1596-K1599 PolarHBondContact O-N 3.32Å; K1599-Q1602 PolarHBondContact O-N 3.06Å; K1599-L1603 WeakPolarHBondContact O-CG 3.24Å; K1599-L1603 PolarHBondContact O-N 2.77Å
1600L89.2Confident86.3Confident95 Ų95104 Ų10450%0.49750%0.499SS..Hα-helixtrans-66.2-41.7177-176.661000111.9Q1596 K1597 I1598 L1603 R1604Q1596-L1600 WeakPolarHBondContact O-CB 3.36Å; Q1596-L1600 PolarHBondContact O-N 3.35Å; K1597-L1600 PolarHBondContact O-N 3.38Å; I1598-L1600 VanDerWaalsContact C-N 3.35Å; I1598-L1600 PolarHBondContact O-N 2.93Å; L1600-L1603 PolarHBondContact O-N 3.29Å; L1600-R1604 WeakPolarHBondContact O-CG 3.39Å; L1600-R1604 PolarHBondContact O-N 3.39Å
1601A86.9Confident86.7Confident49 Ų49104.4 Ų104.441%0.40550%0.499SS..Hα-helixtrans-60.9-44.5173.600000111.6K1597 I1598 L1603 R1604 V1605K1597-A1601 WeakPolarHBondContact O-CB 3.25Å; K1597-A1601 PolarHBondContact O-N 2.8Å; I1598-A1601 PolarHBondContact O-N 3.4Å; A1601-L1603 VanDerWaalsContact C-N 3.33Å; A1601-L1603 PolarHBondContact O-N 3.49Å; A1601-R1604 WeakPolarHBondContact O-CB 3.36Å; A1601-R1604 PolarHBondContact O-N 2.76Å; A1601-V1605 WeakPolarHBondContact O-CG2 3.26Å; A1601-V1605 PolarHBondContact O-N 2.78Å
1602Q87.3Confident86.8Confident100 Ų100104.1 Ų104.147%0.46750%0.496SS..Hα-helixtrans-61.6-39.5175.4-170.163.948.300112.1I1598 K1599 V1605 N1606I1598-Q1602 PolarHBondContact O-N 2.74Å; K1599-Q1602 PolarHBondContact O-N 3.06Å; Q1602-V1605 PolarHBondContact O-N 3.2Å; Q1602-N1606 PolarHBondContact NE2-OD1 2.71Å; Q1602-N1606 WeakPolarHBondContact O-CB 3.18Å; Q1602-N1606 PolarHBondContact O-N 3.42Å; Q1602-N1606 PolarHBondContact O-OD1 3.34Å
1603L90.4Very high86.7Confident111 Ų111102.4 Ų102.458%0.58149%0.485SS*.Hα-helixtrans-66.5-39.1174.7-72.8170.3000112.4K1599 L1600 A1601 N1606 R1607K1599-L1603 WeakPolarHBondContact O-CG 3.24Å; K1599-L1603 PolarHBondContact O-N 2.77Å; L1600-L1603 PolarHBondContact O-N 3.29Å; A1601-L1603 VanDerWaalsContact C-N 3.33Å; A1601-L1603 PolarHBondContact O-N 3.49Å; L1603-N1606 PolarHBondContact O-N 2.75Å; L1603-R1607 WeakPolarHBondContact O-CB 3.49Å; L1603-R1607 PolarHBondContact O-N 3.23Å
1604R87.1Confident86.6Confident136 Ų136102.8 Ų102.851%0.51349%0.491SS..Hα-helixtrans-60.6-46.7172.4-72.6176.5174.9-154.70.1111.1E621 L1600 A1601 R1607 L1608E621-R1604 IonicContact OE2-CZ 2.71Å; E621-R1604 IonicContact OE2-NH1 2.78Å; E621-R1604 PolarHBondContact OE2-NH1 3.47Å; E621-R1604 IonicContact OE2-NH2 2.82Å; E621-R1604 PolarHBondContact OE2-NH2 3.36Å; L1600-R1604 WeakPolarHBondContact O-CG 3.39Å; L1600-R1604 PolarHBondContact O-N 3.39Å; A1601-R1604 WeakPolarHBondContact O-CB 3.36Å; A1601-R1604 PolarHBondContact O-N 2.76Å; R1604-R1607 PolarHBondContact O-N 2.68Å; R1604-L1608 PolarHBondContact O-N 2.89Å
1605V87.6Confident86.4Confident65 Ų65104.2 Ų104.239%0.39450%0.495SS..Hα-helixtrans-63-45.9176.4171.40000111.8A1601 Q1602 R1607 L1608 R1609A1601-V1605 WeakPolarHBondContact O-CG2 3.26Å; A1601-V1605 PolarHBondContact O-N 2.78Å; Q1602-V1605 PolarHBondContact O-N 3.2Å; V1605-R1607 VanDerWaalsContact C-N 3.33Å; V1605-R1607 PolarHBondContact O-N 2.95Å; V1605-L1608 PolarHBondContact O-N 3.09Å; V1605-R1609 WeakPolarHBondContact O-CG 3.26Å; V1605-R1609 PolarHBondContact O-N 3.4Å
1606N87.9Confident86.1Confident63 Ų63103.2 Ų103.234%0.33749%0.489SS..Hα-helixtrans-62.4-39.8177.8-71.42000111.5Q1602 L1603 R1609 M1610Q1602-N1606 PolarHBondContact NE2-OD1 2.71Å; Q1602-N1606 WeakPolarHBondContact O-CB 3.18Å; Q1602-N1606 PolarHBondContact O-N 3.42Å; Q1602-N1606 PolarHBondContact O-OD1 3.34Å; L1603-N1606 PolarHBondContact O-N 2.75Å; N1606-R1609 PolarHBondContact O-N 3Å; N1606-M1610 WeakPolarHBondContact O-CG 3.38Å; N1606-M1610 PolarHBondContact O-N 2.98Å
1607R86.3Confident85.6Confident183 Ų183100.7 Ų100.769%0.69148%0.479SS*.Hα-helixtrans-65.3-36.3175.1-169.3177.7-175-170.30.8112.3L1603 R1604 V1605 K1611L1603-R1607 WeakPolarHBondContact O-CB 3.49Å; L1603-R1607 PolarHBondContact O-N 3.23Å; R1604-R1607 PolarHBondContact O-N 2.68Å; V1605-R1607 VanDerWaalsContact C-N 3.33Å; V1605-R1607 PolarHBondContact O-N 2.95Å; R1607-K1611 PolarHBondContact O-N 2.99Å; R1607-K1611 VanDerWaalsContact O-N 3.13Å
1608L88.4Confident85.1Confident105 Ų105100.1 Ų100.155%0.5548%0.48SS..Hα-helixtrans-68.1-45.7174.4-177.262.4000111.7R1604 V1605 M1610 K1611 I1612R1604-L1608 PolarHBondContact O-N 2.89Å; V1605-L1608 PolarHBondContact O-N 3.09Å; L1608-M1610 PolarHBondContact O-N 3Å; L1608-K1611 WeakPolarHBondContact O-CB 3.47Å; L1608-K1611 PolarHBondContact O-N 3.42Å; L1608-K1611 VanDerWaalsContact O-N 3.17Å; L1608-I1612 HydrophobicContact CD1-CD1 4.36Å; L1608-I1612 HydrophobicContact CG-CD1 4.06Å; L1608-I1612 WeakPolarHBondContact O-CG1 3.15Å; L1608-I1612 PolarHBondContact O-N 2.75Å
1609R85.5Confident84.6Confident139 Ų139101.1 Ų101.153%0.52548%0.476SS..Hα-helixtrans-55.5-49.2173.6-72.6-178.3179.5-158.2-1.3111.2V1605 N1606 K1611 I1612 Y1613V1605-R1609 WeakPolarHBondContact O-CG 3.26Å; V1605-R1609 PolarHBondContact O-N 3.4Å; N1606-R1609 PolarHBondContact O-N 3Å; R1609-K1611 VanDerWaalsContact C-N 3.32Å; R1609-K1611 PolarHBondContact O-N 2.82Å; R1609-I1612 PolarHBondContact O-N 2.72Å; R1609-I1612 VanDerWaalsContact O-N 3.11Å; R1609-Y1613 HydrophobicContact CB-CD2 4.23Å; R1609-Y1613 HydrophobicContact CB-CE2 4.03Å; R1609-Y1613 WeakPolarHBondContact O-CD2 3.38Å; R1609-Y1613 PolarHBondContact O-N 3.05Å
1610M81.1Confident83.9Confident128 Ų12896 Ų9663%0.63146%0.458SS*.Hα-helixtrans-58.9-38.6177-73.9-58.6-60.300113.2N1606 L1608 S1614N1606-M1610 WeakPolarHBondContact O-CG 3.38Å; N1606-M1610 PolarHBondContact O-N 2.98Å; L1608-M1610 PolarHBondContact O-N 3Å; M1610-S1614 WeakPolarHBondContact O-CB 3.2Å; M1610-S1614 PolarHBondContact O-N 2.65Å; M1610-S1614 PolarHBondContact O-OG 2.72Å
1611K85.9Confident83.1Confident97 Ų9794.8 Ų94.842%0.42245%0.454SS..Hα-helixtrans-60.3-51.4171.9-78.6-174.3170.9-169.50111R1607 L1608 R1609 Y1613 S1614 E1615R1607-K1611 PolarHBondContact O-N 2.99Å; R1607-K1611 VanDerWaalsContact O-N 3.13Å; L1608-K1611 WeakPolarHBondContact O-CB 3.47Å; L1608-K1611 PolarHBondContact O-N 3.42Å; L1608-K1611 VanDerWaalsContact O-N 3.17Å; R1609-K1611 VanDerWaalsContact C-N 3.32Å; R1609-K1611 PolarHBondContact O-N 2.82Å; K1611-Y1613 PolarHBondContact O-N 2.86Å; K1611-S1614 PolarHBondContact O-N 3.04Å; K1611-S1614 PolarHBondContact O-OG 2.78Å; K1611-E1615 PolarHBondContact O-N 3.08Å
1612I85Confident82.5Confident90 Ų9098.1 Ų98.146%0.46247%0.465SS..Hα-helixtrans-60.4-44.4-179-65.4165.5000111.5L1608 R1609 E1615 K1616L1608-I1612 HydrophobicContact CD1-CD1 4.36Å; L1608-I1612 HydrophobicContact CG-CD1 4.06Å; L1608-I1612 WeakPolarHBondContact O-CG1 3.15Å; L1608-I1612 PolarHBondContact O-N 2.75Å; R1609-I1612 PolarHBondContact O-N 2.72Å; R1609-I1612 VanDerWaalsContact O-N 3.11Å; I1612-E1615 PolarHBondContact O-N 3.47Å; I1612-K1616 PolarHBondContact O-N 2.75Å
1613Y82Confident81.9Confident76 Ų7699.7 Ų99.730%0.29847%0.472SS..Hα-helixtrans-62.7-44.5175-71.8-61000112.1R1609 K1611 E1615 K1616 I1617 I1634R1609-Y1613 HydrophobicContact CB-CD2 4.23Å; R1609-Y1613 HydrophobicContact CB-CE2 4.03Å; R1609-Y1613 WeakPolarHBondContact O-CD2 3.38Å; R1609-Y1613 PolarHBondContact O-N 3.05Å; K1611-Y1613 PolarHBondContact O-N 2.86Å; Y1613-E1615 VanDerWaalsContact C-N 3.28Å; Y1613-E1615 PolarHBondContact O-N 3.08Å; Y1613-K1616 PolarHBondContact O-N 2.94Å; Y1613-I1617 WeakPolarHBondContact O-CB 3.28Å; Y1613-I1617 VanDerWaalsContact O-CG1 3.28Å; Y1613-I1617 WeakPolarHBondContact O-CG1 3.49Å; Y1613-I1617 PolarHBondContact O-N 3.27Å; Y1613-I1634 VanDerWaalsContact CE1-O 3.25Å; Y1613-I1634 WeakPolarHBondContact CE1-O 3.41Å; Y1613-I1634 VanDerWaalsContact CZ-O 3.27Å; Y1613-I1634 PolarHBondContact OH-O 3.09Å
1614S83.3Confident80Confident60 Ų6096.7 Ų96.742%0.4247%0.467SS..Hα-helixtrans-62.3-35.6176.370.60000112.3M1610 K1611 L1618M1610-S1614 WeakPolarHBondContact O-CB 3.2Å; M1610-S1614 PolarHBondContact O-N 2.65Å; M1610-S1614 PolarHBondContact O-OG 2.72Å; K1611-S1614 PolarHBondContact O-N 3.04Å; K1611-S1614 PolarHBondContact O-OG 2.78Å; S1614-L1618 WeakPolarHBondContact O-CB 3.23Å; S1614-L1618 VanDerWaalsContact O-CG 3.24Å; S1614-L1618 WeakPolarHBondContact O-CG 3.38Å; S1614-L1618 PolarHBondContact O-N 3.45Å
1615E82.7Confident78.3Confident97 Ų9794.5 Ų94.545%0.45347%0.466SS..Hα-helixtrans-72.7-41.2175.9-165.4-177.6151.700112K1611 I1612 Y1613 I1617 L1618 R1619K1611-E1615 PolarHBondContact O-N 3.08Å; I1612-E1615 PolarHBondContact O-N 3.47Å; Y1613-E1615 VanDerWaalsContact C-N 3.28Å; Y1613-E1615 PolarHBondContact O-N 3.08Å; E1615-I1617 VanDerWaalsContact C-N 3.34Å; E1615-I1617 PolarHBondContact O-N 3.17Å; E1615-L1618 PolarHBondContact O-N 2.62Å; E1615-R1619 HydrophobicContact CG-CG 4.37Å; E1615-R1619 VanDerWaalsContact O-CB 3.29Å; E1615-R1619 WeakPolarHBondContact O-CB 3.44Å; E1615-R1619 VanDerWaalsContact O-CG 3.26Å; E1615-R1619 WeakPolarHBondContact O-CG 3.42Å; E1615-R1619 PolarHBondContact O-N 3.33Å; E1615-R1619 IonicContact OE1-CZ 3.17Å; E1615-R1619 IonicContact OE1-NE 3.96Å; E1615-R1619 PolarHBondContact OE1-NE 3.46Å; E1615-R1619 IonicContact OE1-NH2 2.73Å; E1615-R1619 PolarHBondContact OE1-NH2 3.18Å
1616K79.3Confident76.5Confident97 Ų9796.6 Ų96.642%0.42248%0.479SS..Hα-helixtrans-57.8-45172-86.5-166170.3-172.70111.8I1612 Y1613 S1620 E1633I1612-K1616 PolarHBondContact O-N 2.75Å; Y1613-K1616 PolarHBondContact O-N 2.94Å; K1616-S1620 WeakPolarHBondContact O-CB 3.23Å; K1616-S1620 PolarHBondContact O-N 2.81Å; K1616-S1620 PolarHBondContact O-OG 3.06Å; K1616-E1633 IonicContact NZ-OE1 2.85Å; K1616-E1633 PolarHBondContact NZ-OE1 3.18Å
1617I77.6Confident74.6Confident60 Ų6098.9 Ų98.931%0.30850%0.5SS..Hα-helixtrans-64.9-50.6178-68.3165000110.3Y1613 E1615 R1619 S1620 V1621 I1629Y1613-I1617 WeakPolarHBondContact O-CB 3.28Å; Y1613-I1617 VanDerWaalsContact O-CG1 3.28Å; Y1613-I1617 WeakPolarHBondContact O-CG1 3.49Å; Y1613-I1617 PolarHBondContact O-N 3.27Å; E1615-I1617 VanDerWaalsContact C-N 3.34Å; E1615-I1617 PolarHBondContact O-N 3.17Å; I1617-R1619 PolarHBondContact O-N 2.81Å; I1617-S1620 PolarHBondContact O-N 3.12Å; I1617-V1621 HydrophobicContact CG2-CG2 4.46Å; I1617-V1621 WeakPolarHBondContact O-CG2 3.41Å; I1617-V1621 PolarHBondContact O-N 3.23Å; I1617-I1629 HydrophobicContact CG1-CD1 4.43Å
1618L77.6Confident72.8Confident94 Ų9493.5 Ų93.549%0.49249%0.49SS..Hα-helixtrans-59.7-43.6177.9-76169.1000112.1S1614 E1615 V1621 L1622S1614-L1618 WeakPolarHBondContact O-CB 3.23Å; S1614-L1618 VanDerWaalsContact O-CG 3.24Å; S1614-L1618 WeakPolarHBondContact O-CG 3.38Å; S1614-L1618 PolarHBondContact O-N 3.45Å; E1615-L1618 PolarHBondContact O-N 2.62Å; L1618-V1621 PolarHBondContact O-N 2.97Å; L1618-L1622 VanDerWaalsContact O-CB 3.27Å; L1618-L1622 WeakPolarHBondContact O-CB 3.36Å; L1618-L1622 WeakPolarHBondContact O-CD1 3.44Å; L1618-L1622 WeakPolarHBondContact O-CG 3.37Å; L1618-L1622 PolarHBondContact O-N 2.74Å
1619R77.1Confident70.9Confident139 Ų13991.4 Ų91.453%0.52548%0.479SS..Hα-helixtrans-59.4-49.5174.8-76.5174.9179.6-106.37111E1615 I1617 V1621 L1622 H1623E1615-R1619 HydrophobicContact CG-CG 4.37Å; E1615-R1619 VanDerWaalsContact O-CB 3.29Å; E1615-R1619 WeakPolarHBondContact O-CB 3.44Å; E1615-R1619 VanDerWaalsContact O-CG 3.26Å; E1615-R1619 WeakPolarHBondContact O-CG 3.42Å; E1615-R1619 PolarHBondContact O-N 3.33Å; E1615-R1619 IonicContact OE1-CZ 3.17Å; E1615-R1619 IonicContact OE1-NE 3.96Å; E1615-R1619 PolarHBondContact OE1-NE 3.46Å; E1615-R1619 IonicContact OE1-NH2 2.73Å; E1615-R1619 PolarHBondContact OE1-NH2 3.18Å; I1617-R1619 PolarHBondContact O-N 2.81Å; R1619-V1621 PolarHBondContact O-N 3.32Å; R1619-L1622 PolarHBondContact O-N 3.27Å; R1619-H1623 PolarHBondContact O-N 3.06Å; R1619-H1623 PolarHBondContact O-ND1 2.84Å
1620S73Confident69Low32 Ų3289.1 Ų89.122%0.22448%0.481CS..Hα-helixtrans-62.9-41.1-177.8-55.10000112.5K1616 I1617 N1625 I1629K1616-S1620 WeakPolarHBondContact O-CB 3.23Å; K1616-S1620 PolarHBondContact O-N 2.81Å; K1616-S1620 PolarHBondContact O-OG 3.06Å; I1617-S1620 PolarHBondContact O-N 3.12Å; S1620-N1625 PolarHBondContact O-N 3.1Å; S1620-I1629 VanDerWaalsContact CB-CD1 3.43Å
1621V74Confident67.4Low69 Ų6990 Ų9042%0.41848%0.481SS..Hα-helixtrans-63.5-43.6173.3172.10000111.4F1440 I1617 L1618 R1619 G1624F1440-V1621 HydrophobicContact CE2-CG2 4.2Å; F1440-V1621 HydrophobicContact CZ-CG2 4.45Å; I1617-V1621 HydrophobicContact CG2-CG2 4.46Å; I1617-V1621 WeakPolarHBondContact O-CG2 3.41Å; I1617-V1621 PolarHBondContact O-N 3.23Å; L1618-V1621 PolarHBondContact O-N 2.97Å; R1619-V1621 PolarHBondContact O-N 3.32Å; V1621-G1624 PolarHBondContact O-N 3.27Å
1622L73.7Confident65.7Low120 Ų12094.6 Ų94.663%0.62850%0.501SS*.Hα-helixtrans-71.4-28.5-179.6-73.5169.2000114.1L1618 R1619 G1624L1618-L1622 VanDerWaalsContact O-CB 3.27Å; L1618-L1622 WeakPolarHBondContact O-CB 3.36Å; L1618-L1622 WeakPolarHBondContact O-CD1 3.44Å; L1618-L1622 WeakPolarHBondContact O-CG 3.37Å; L1618-L1622 PolarHBondContact O-N 2.74Å; R1619-L1622 PolarHBondContact O-N 3.27Å; L1622-G1624 VanDerWaalsContact C-N 3.26Å; L1622-G1624 PolarHBondContact O-N 3.22Å
1623H74.7Confident63.8Low132 Ų13296 Ų9661%0.61151%0.506SS*.THydrogen-bonded Turntrans-842.5176.9-7069.3000112.9R1619 N1625R1619-H1623 PolarHBondContact O-N 3.06Å; R1619-H1623 PolarHBondContact O-ND1 2.84Å; H1623-N1625 PolarHBondContact O-N 3.19Å
1624G49.4Very low61.9Low48 Ų4897.1 Ų97.150%0.49552%0.516SS..THydrogen-bonded Turntrans732.8-178.300000114.8V1621 L1622 T1626V1621-G1624 PolarHBondContact O-N 3.27Å; L1622-G1624 VanDerWaalsContact C-N 3.26Å; L1622-G1624 PolarHBondContact O-N 3.22Å; G1624-T1626 PolarHBondContact O-N 3.49Å
1625N52.7Low60.8Low90 Ų9099 Ų9948%0.48152%0.521SS..  trans-7666.5178.7-74.2-6.1000110.9S1620 H1623 S1627S1620-N1625 PolarHBondContact O-N 3.1Å; H1623-N1625 PolarHBondContact O-N 3.19Å; N1625-S1627 PolarHBondContact O-N 2.89Å
1626T49.3Very low59.7Low109 Ų10999.1 Ų99.167%0.66952%0.524SS*.THydrogen-bonded Turntrans-72.3-5.4-177.848.70000114.2G1624G1624-T1626 PolarHBondContact O-N 3.49Å
1627S48.2Very low58.6Low111 Ų11199.2 Ų99.278%0.77653%0.53SS*.THydrogen-bonded Turntrans-119.8-6.9-164.853.30000116.1N1625N1625-S1627 PolarHBondContact O-N 2.89Å
1628S47.6Very low57.5Low70 Ų70101.5 Ų101.549%0.4954%0.543SS..  trans-128.43.2-16865.30000117.8V1630S1628-V1630 PolarHBondContact O-N 3.4Å
1629I48.7Very low56.2Low61 Ų61102 Ų10231%0.31355%0.546SS..  trans-72.289.4160.1-48.2176.4000107.9I1617 S1620 F1631 I1634I1617-I1629 HydrophobicContact CG1-CD1 4.43Å; S1620-I1629 VanDerWaalsContact CB-CD1 3.43Å; I1629-F1631 PolarHBondContact O-N 3.24Å; I1629-I1634 HydrophobicContact CG2-CD1 3.83Å; I1629-I1634 HydrophobicContact CG2-CG1 3.87Å
1630V46.7Very low54.8Low92 Ų9299.5 Ų99.556%0.55855%0.548SS*.  trans-62.3128.5170.2-170.80000107.6S1628 K1632 E1633S1628-V1630 PolarHBondContact O-N 3.4Å; V1630-K1632 HydrophobicContact CG1-CB 3.73Å; V1630-K1632 PolarHBondContact O-N 3.43Å; V1630-E1633 PolarHBondContact O-N 3.3Å
1631F46Very low53.5Low147 Ų147104.4 Ų104.465%0.64557%0.571SS**THydrogen-bonded Turntrans-59.89.4176.2-102.7-84.5000115.2I1629I1629-F1631 PolarHBondContact O-N 3.24Å
1632K50.4Low52Low192 Ų192107.1 Ų107.184%0.83558%0.583SS**THydrogen-bonded Turntrans-105.4-8.3179.4-163.3178.7-178-177.40112.3V1630V1630-K1632 HydrophobicContact CG1-CB 3.73Å; V1630-K1632 PolarHBondContact O-N 3.43Å
1633E46.6Very low50.1Low120 Ų120106 Ų10656%0.56158%0.579SS**  trans-108.9-2.7174.6-148.1-152.6136.500113.2K1616 V1630K1616-E1633 IonicContact NZ-OE1 2.85Å; K1616-E1633 PolarHBondContact NZ-OE1 3.18Å; V1630-E1633 PolarHBondContact O-N 3.3Å
1634I41.4Very low47.9Very low100 Ų100103.6 Ų103.651%0.51358%0.576SS.*  trans-88.30166.1-59.9-179.5000107.9Y1613 I1629Y1613-I1634 VanDerWaalsContact CE1-O 3.25Å; Y1613-I1634 WeakPolarHBondContact CE1-O 3.41Å; Y1613-I1634 VanDerWaalsContact CZ-O 3.27Å; Y1613-I1634 PolarHBondContact OH-O 3.09Å; I1629-I1634 HydrophobicContact CG2-CD1 3.83Å; I1629-I1634 HydrophobicContact CG2-CG1 3.87Å

Retrieved 1,634 of 1,634 residues in 849 ms (Link to these results)